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 3bg6_1_F DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT 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 PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 0.000 176.273 176.300 -0.044 0.000 1.140 43 M CA 0.000 55.338 55.300 0.063 0.000 0.988 43 M CB 0.000 32.510 32.600 -0.150 0.000 1.302 44 D N 2.189 122.591 120.400 0.005 0.000 2.349 44 D HA 0.317 4.957 4.640 0.000 0.000 0.239 44 D C 1.352 177.586 176.300 -0.111 0.000 1.315 44 D CA 0.130 54.047 54.000 -0.137 0.000 0.937 44 D CB 0.741 41.328 40.800 -0.356 0.000 1.133 44 D HN 0.730 nan 8.370 nan 0.000 0.489 45 I N -3.440 117.044 120.570 -0.142 0.000 4.102 45 I HA 0.313 4.483 4.170 0.000 0.000 0.325 45 I C -0.032 176.060 176.117 -0.041 0.000 1.471 45 I CA -0.505 60.781 61.300 -0.023 0.000 1.133 45 I CB 0.261 38.243 38.000 -0.030 0.000 1.184 45 I HN -0.064 nan 8.210 nan 0.000 0.451 46 K N 1.727 121.943 120.400 -0.307 0.000 2.502 46 K HA 0.564 4.884 4.320 0.000 0.000 0.254 46 K C -1.964 174.283 176.600 -0.588 0.000 0.947 46 K CA -0.364 55.759 56.287 -0.274 0.000 0.834 46 K CB 1.007 33.411 32.500 -0.160 0.000 1.112 46 K HN 0.169 nan 8.250 nan 0.000 0.427 47 Y N 1.152 121.431 120.300 -0.035 0.000 2.602 47 Y HA 0.282 4.832 4.550 0.000 0.000 0.342 47 Y C 0.807 176.670 175.900 -0.061 0.000 1.029 47 Y CA -0.774 57.295 58.100 -0.051 0.000 1.080 47 Y CB 1.832 40.258 38.460 -0.057 0.000 1.284 47 Y HN 0.568 nan 8.280 nan 0.000 0.485 48 D N 0.117 120.594 120.400 0.129 0.000 2.091 48 D HA 0.020 4.660 4.640 0.000 0.000 0.199 48 D C -0.252 176.036 176.300 -0.019 0.000 0.980 48 D CA 1.468 55.524 54.000 0.093 0.000 0.831 48 D CB 0.211 41.132 40.800 0.201 0.000 0.987 48 D HN 0.118 nan 8.370 nan 0.000 0.460 49 V N 1.121 121.017 119.914 -0.031 0.000 2.656 49 V HA 0.406 4.526 4.120 0.000 0.000 0.307 49 V C -0.217 175.779 176.094 -0.165 0.000 1.051 49 V CA -1.047 61.145 62.300 -0.179 0.000 0.893 49 V CB 2.455 34.145 31.823 -0.221 0.000 0.999 49 V HN -0.002 nan 8.190 nan 0.000 0.426 50 V N 2.527 122.301 119.914 -0.233 0.000 2.555 50 V HA 0.755 4.875 4.120 0.000 0.000 0.302 50 V C -0.654 175.381 176.094 -0.099 0.000 1.038 50 V CA -0.639 61.580 62.300 -0.135 0.000 0.887 50 V CB 1.712 33.532 31.823 -0.005 0.000 0.991 50 V HN 0.691 nan 8.190 nan 0.000 0.434 51 I N 3.966 124.503 120.570 -0.054 0.000 2.436 51 I HA 0.490 4.660 4.170 0.000 0.000 0.289 51 I C -0.611 175.529 176.117 0.039 0.000 1.010 51 I CA -0.924 60.334 61.300 -0.070 0.000 1.098 51 I CB 2.257 40.199 38.000 -0.096 0.000 1.266 51 I HN 0.439 nan 8.210 nan 0.000 0.434 52 V N 5.458 125.380 119.914 0.014 0.000 2.348 52 V HA 0.792 4.912 4.120 0.000 0.000 0.270 52 V C 0.492 176.594 176.094 0.014 0.000 1.037 52 V CA -0.297 62.033 62.300 0.050 0.000 0.872 52 V CB 0.512 32.339 31.823 0.007 0.000 1.002 52 V HN 1.068 nan 8.190 nan 0.000 0.464 53 G N 3.978 112.801 108.800 0.037 0.000 2.911 53 G HA2 -0.018 3.942 3.960 0.000 0.000 0.686 53 G HA3 -0.018 3.942 3.960 0.000 0.000 0.686 53 G C -0.036 174.878 174.900 0.023 0.000 1.136 53 G CA -0.228 44.885 45.100 0.021 0.000 0.764 53 G HN 1.358 nan 8.290 nan 0.000 0.626 54 S N 1.158 116.874 115.700 0.027 0.000 2.588 54 S HA 0.611 5.081 4.470 0.000 0.000 0.245 54 S C 1.274 175.883 174.600 0.015 0.000 1.021 54 S CA 0.752 58.975 58.200 0.038 0.000 1.006 54 S CB 0.527 63.762 63.200 0.058 0.000 0.830 54 S HN 1.952 nan 8.310 nan 0.000 0.468 55 G N 2.573 111.371 108.800 -0.004 0.000 2.553 55 G HA2 0.413 4.373 3.960 0.000 0.000 0.278 55 G HA3 0.413 4.373 3.960 0.000 0.000 0.278 55 G C -1.210 173.663 174.900 -0.045 0.000 1.349 55 G CA -1.312 43.766 45.100 -0.037 0.000 1.037 55 G HN 0.248 nan 8.290 nan 0.000 0.508 56 P HA -0.058 nan 4.420 nan 0.000 0.220 56 P C 1.706 178.945 177.300 -0.102 0.000 1.148 56 P CA 0.725 63.768 63.100 -0.094 0.000 0.803 56 P CB 0.201 31.860 31.700 -0.068 0.000 0.782 57 I N 0.180 120.724 120.570 -0.044 0.000 2.277 57 I HA -0.032 4.138 4.170 0.000 0.000 0.243 57 I C 2.713 178.882 176.117 0.087 0.000 1.094 57 I CA 1.521 62.825 61.300 0.007 0.000 1.393 57 I CB -2.268 35.765 38.000 0.055 0.000 1.078 57 I HN -0.003 nan 8.210 nan 0.000 0.417 58 G N 0.338 109.174 108.800 0.059 0.000 2.440 58 G HA2 -0.257 3.703 3.960 0.000 0.000 0.218 58 G HA3 -0.257 3.703 3.960 0.000 0.000 0.218 58 G C 1.757 176.655 174.900 -0.002 0.000 1.154 58 G CA 1.087 46.216 45.100 0.048 0.000 0.767 58 G HN 0.416 nan 8.290 nan 0.000 0.552 59 C N 0.666 119.937 119.300 -0.048 0.000 2.432 59 C HA 0.042 4.502 4.460 0.000 0.000 0.282 59 C C 3.158 178.020 174.990 -0.214 0.000 1.388 59 C CA 1.328 60.275 59.018 -0.120 0.000 1.777 59 C CB -0.997 26.719 27.740 -0.039 0.000 1.882 59 C HN 0.458 nan 8.230 nan 0.000 0.520 60 T N -0.026 114.426 114.554 -0.170 0.000 2.737 60 T HA -0.144 4.206 4.350 0.000 0.000 0.265 60 T C 1.466 176.007 174.700 -0.265 0.000 1.038 60 T CA 1.539 63.506 62.100 -0.223 0.000 1.144 60 T CB -0.400 68.353 68.868 -0.192 0.000 0.866 60 T HN 0.546 nan 8.240 nan 0.000 0.434 61 Y N 1.626 121.786 120.300 -0.233 0.000 2.128 61 Y HA -0.086 4.464 4.550 0.000 0.000 0.284 61 Y C 2.792 178.474 175.900 -0.363 0.000 1.154 61 Y CA 1.010 58.951 58.100 -0.264 0.000 1.149 61 Y CB -0.753 37.569 38.460 -0.230 0.000 0.976 61 Y HN 0.195 nan 8.280 nan 0.000 0.505 62 A N 0.145 122.772 122.820 -0.321 0.000 1.883 62 A HA -0.250 4.070 4.320 0.000 0.000 0.217 62 A C 2.306 179.321 177.584 -0.948 0.000 1.186 62 A CA 1.923 53.519 52.037 -0.735 0.000 0.624 62 A CB -0.783 17.533 19.000 -1.140 0.000 0.822 62 A HN 0.425 nan 8.150 nan 0.000 0.444 63 R N -0.490 119.534 120.500 -0.794 0.000 2.080 63 R HA -0.168 4.172 4.340 0.000 0.000 0.236 63 R C 2.090 178.201 176.300 -0.314 0.000 1.137 63 R CA 1.782 57.583 56.100 -0.499 0.000 0.943 63 R CB -0.277 29.732 30.300 -0.485 0.000 0.846 63 R HN 0.580 nan 8.270 nan 0.000 0.431 64 E N 0.349 120.387 120.200 -0.271 0.000 2.051 64 E HA -0.181 4.169 4.350 0.000 0.000 0.192 64 E C 2.118 178.652 176.600 -0.111 0.000 0.991 64 E CA 1.218 57.529 56.400 -0.148 0.000 0.799 64 E CB -0.052 29.551 29.700 -0.161 0.000 0.748 64 E HN 0.419 nan 8.360 nan 0.000 0.449 65 L N 0.101 121.226 121.223 -0.164 0.000 2.202 65 L HA -0.046 4.294 4.340 0.000 0.000 0.205 65 L C 2.520 179.425 176.870 0.058 0.000 1.083 65 L CA 0.202 54.983 54.840 -0.097 0.000 0.790 65 L CB -0.204 41.694 42.059 -0.268 0.000 0.942 65 L HN -0.058 nan 8.230 nan 0.000 0.452 66 V N 0.592 120.454 119.914 -0.086 0.000 2.295 66 V HA -0.222 3.898 4.120 0.000 0.000 0.246 66 V C 2.648 178.768 176.094 0.043 0.000 1.049 66 V CA 2.152 64.439 62.300 -0.021 0.000 1.024 66 V CB -1.266 30.470 31.823 -0.145 0.000 0.648 66 V HN 0.566 nan 8.190 nan 0.000 0.447 67 G N -0.457 108.348 108.800 0.008 0.000 2.450 67 G HA2 -0.185 3.775 3.960 0.000 0.000 0.220 67 G HA3 -0.185 3.775 3.960 0.000 0.000 0.220 67 G C 1.492 176.428 174.900 0.059 0.000 1.130 67 G CA 0.883 46.005 45.100 0.035 0.000 0.760 67 G HN 0.651 nan 8.290 nan 0.000 0.557 68 A N -0.417 122.466 122.820 0.106 0.000 2.238 68 A HA 0.474 4.794 4.320 0.000 0.000 0.208 68 A C 1.946 179.554 177.584 0.040 0.000 1.177 68 A CA 1.236 53.352 52.037 0.133 0.000 0.804 68 A CB -0.446 18.727 19.000 0.288 0.000 0.823 68 A HN 1.594 nan 8.150 nan 0.000 0.482 69 G N -2.290 106.542 108.800 0.053 0.000 2.141 69 G HA2 -0.268 3.692 3.960 0.000 0.000 0.231 69 G HA3 -0.268 3.692 3.960 0.000 0.000 0.231 69 G C -0.064 174.777 174.900 -0.098 0.000 0.984 69 G CA 0.118 45.202 45.100 -0.027 0.000 0.660 69 G HN 0.415 nan 8.290 nan 0.000 0.525 70 Y N 0.426 120.717 120.300 -0.015 0.000 2.336 70 Y HA 0.424 4.974 4.550 0.000 0.000 0.331 70 Y C 1.114 176.993 175.900 -0.034 0.000 1.211 70 Y CA 0.027 58.112 58.100 -0.025 0.000 1.346 70 Y CB 0.763 39.202 38.460 -0.035 0.000 1.271 70 Y HN 0.079 nan 8.280 nan 0.000 0.538 71 K N 3.064 123.526 120.400 0.104 0.000 2.292 71 K HA 0.394 4.714 4.320 0.000 0.000 0.290 71 K C -1.537 175.156 176.600 0.155 0.000 1.083 71 K CA -0.161 56.163 56.287 0.061 0.000 0.918 71 K CB 0.042 32.535 32.500 -0.011 0.000 1.089 71 K HN 0.502 nan 8.250 nan 0.000 0.473 72 V N 3.293 123.283 119.914 0.127 0.000 2.435 72 V HA 0.550 4.670 4.120 0.000 0.000 0.290 72 V C -0.163 175.823 176.094 -0.180 0.000 1.030 72 V CA -0.915 61.413 62.300 0.046 0.000 0.881 72 V CB 1.384 33.280 31.823 0.121 0.000 0.983 72 V HN 0.874 nan 8.190 nan 0.000 0.445 73 A N 5.846 128.386 122.820 -0.465 0.000 2.337 73 A HA 0.941 5.261 4.320 0.000 0.000 0.329 73 A C -0.620 176.589 177.584 -0.625 0.000 1.146 73 A CA -0.620 50.904 52.037 -0.855 0.000 0.800 73 A CB 1.511 19.593 19.000 -1.530 0.000 1.220 73 A HN 0.913 nan 8.150 nan 0.000 0.472 74 M N 2.219 121.363 119.600 -0.759 0.000 2.393 74 M HA 0.743 5.223 4.480 0.000 0.000 0.299 74 M C -2.208 173.757 176.300 -0.558 0.000 1.103 74 M CA -0.422 54.624 55.300 -0.423 0.000 0.910 74 M CB 1.348 33.894 32.600 -0.089 0.000 1.659 74 M HN 0.597 nan 8.290 nan 0.000 0.445 75 F N 2.116 122.050 119.950 -0.027 0.000 2.532 75 F HA 0.584 5.111 4.527 0.000 0.000 0.321 75 F C -0.216 175.577 175.800 -0.012 0.000 1.089 75 F CA -0.504 57.499 58.000 0.005 0.000 0.926 75 F CB 1.591 40.574 39.000 -0.029 0.000 1.168 75 F HN 0.459 nan 8.300 nan 0.000 0.459 76 D N 2.592 123.086 120.400 0.156 0.000 2.879 76 D HA 0.245 4.885 4.640 0.000 0.000 0.236 76 D C 0.410 176.734 176.300 0.040 0.000 1.171 76 D CA -0.327 53.713 54.000 0.067 0.000 0.868 76 D CB 2.591 43.414 40.800 0.038 0.000 1.598 76 D HN 0.652 nan 8.370 nan 0.000 0.497 77 I N 1.792 122.339 120.570 -0.039 0.000 2.676 77 I HA 0.070 4.240 4.170 0.000 0.000 0.259 77 I C 1.109 177.192 176.117 -0.057 0.000 1.194 77 I CA 0.644 61.883 61.300 -0.101 0.000 1.473 77 I CB 0.163 37.991 38.000 -0.288 0.000 1.096 77 I HN 0.321 nan 8.210 nan 0.000 0.443 78 G N 0.117 108.897 108.800 -0.033 0.000 2.543 78 G HA2 0.377 4.337 3.960 0.000 0.000 0.290 78 G HA3 0.377 4.337 3.960 0.000 0.000 0.290 78 G C -0.785 174.133 174.900 0.030 0.000 1.310 78 G CA -0.424 44.681 45.100 0.008 0.000 1.025 78 G HN 0.318 nan 8.290 nan 0.000 0.502 79 E N -1.415 118.808 120.200 0.038 0.000 2.299 79 E HA 0.384 4.734 4.350 0.000 0.000 0.260 79 E C -0.528 176.096 176.600 0.039 0.000 0.944 79 E CA -0.787 55.637 56.400 0.040 0.000 0.815 79 E CB 2.431 32.157 29.700 0.044 0.000 1.252 79 E HN 0.262 nan 8.360 nan 0.000 0.418 80 I N 2.462 123.054 120.570 0.036 0.000 2.452 80 I HA 0.033 4.203 4.170 0.000 0.000 0.287 80 I C -0.227 175.919 176.117 0.047 0.000 1.079 80 I CA 0.503 61.827 61.300 0.039 0.000 1.387 80 I CB 0.149 38.167 38.000 0.029 0.000 1.404 80 I HN 0.538 nan 8.210 nan 0.000 0.522 81 D N 2.774 123.208 120.400 0.057 0.000 3.279 81 D HA 0.020 4.660 4.640 0.000 0.000 0.336 81 D C -0.142 176.213 176.300 0.092 0.000 1.512 81 D CA -0.331 53.711 54.000 0.069 0.000 0.754 81 D CB -0.183 40.657 40.800 0.066 0.000 1.278 81 D HN 0.240 nan 8.370 nan 0.000 0.553 82 S N -0.147 115.610 115.700 0.095 0.000 2.602 82 S HA 0.630 5.100 4.470 0.000 0.000 0.240 82 S C 1.025 175.698 174.600 0.122 0.000 0.992 82 S CA -0.002 58.274 58.200 0.126 0.000 0.971 82 S CB 0.799 64.077 63.200 0.130 0.000 0.855 82 S HN 0.902 nan 8.310 nan 0.000 0.481 83 G N 1.636 110.494 108.800 0.097 0.000 2.615 83 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 83 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 83 G C 0.276 175.214 174.900 0.062 0.000 1.339 83 G CA -0.338 44.811 45.100 0.082 0.000 0.884 83 G HN 0.278 nan 8.290 nan 0.000 0.559 84 L N 0.210 121.464 121.223 0.052 0.000 2.275 84 L HA 0.087 4.427 4.340 0.000 0.000 0.215 84 L C 1.423 178.309 176.870 0.028 0.000 1.119 84 L CA 1.093 55.953 54.840 0.033 0.000 0.790 84 L CB -0.370 41.703 42.059 0.024 0.000 0.919 84 L HN 0.322 nan 8.230 nan 0.000 0.443 85 K N 1.569 121.996 120.400 0.045 0.000 2.263 85 K HA 0.355 4.675 4.320 0.000 0.000 0.282 85 K C -0.373 176.253 176.600 0.044 0.000 1.089 85 K CA -0.230 56.080 56.287 0.038 0.000 0.907 85 K CB 0.988 33.523 32.500 0.058 0.000 1.148 85 K HN 0.056 nan 8.250 nan 0.000 0.470 86 I N 2.090 122.671 120.570 0.019 0.000 2.533 86 I HA -0.011 4.159 4.170 0.000 0.000 0.284 86 I C 1.321 177.459 176.117 0.035 0.000 1.109 86 I CA 0.659 61.974 61.300 0.026 0.000 1.412 86 I CB 0.475 38.482 38.000 0.012 0.000 1.396 86 I HN 0.968 nan 8.210 nan 0.000 0.543 87 G N 4.214 113.045 108.800 0.052 0.000 2.143 87 G HA2 -0.200 3.760 3.960 0.000 0.000 0.248 87 G HA3 -0.200 3.760 3.960 0.000 0.000 0.248 87 G C 0.319 175.266 174.900 0.079 0.000 0.991 87 G CA 0.039 45.172 45.100 0.054 0.000 0.689 87 G HN 0.958 nan 8.290 nan 0.000 0.522 88 A N -0.375 122.509 122.820 0.106 0.000 2.272 88 A HA 0.619 4.939 4.320 0.000 0.000 0.275 88 A C 0.560 178.264 177.584 0.200 0.000 1.096 88 A CA -0.272 51.863 52.037 0.164 0.000 0.822 88 A CB 0.273 19.373 19.000 0.167 0.000 1.088 88 A HN 0.628 nan 8.150 nan 0.000 0.495 89 H N 0.383 119.589 119.070 0.226 0.000 2.848 89 H HA 0.122 4.678 4.556 0.000 0.000 0.317 89 H C 0.685 176.149 175.328 0.226 0.000 1.046 89 H CA 0.647 56.847 56.048 0.253 0.000 1.470 89 H CB 0.834 30.765 29.762 0.280 0.000 1.483 89 H HN 0.662 nan 8.280 nan 0.000 0.548 90 K N 3.447 124.090 120.400 0.406 0.000 2.439 90 K HA -0.087 4.233 4.320 0.000 0.000 0.197 90 K C 1.558 178.416 176.600 0.431 0.000 1.041 90 K CA 0.567 57.129 56.287 0.458 0.000 0.970 90 K CB 0.395 33.176 32.500 0.469 0.000 0.773 90 K HN 0.388 nan 8.250 nan 0.000 0.479 91 K N 0.926 121.439 120.400 0.189 0.000 2.487 91 K HA 0.025 4.345 4.320 0.000 0.000 0.192 91 K C 0.189 176.801 176.600 0.020 0.000 1.027 91 K CA 0.248 56.305 56.287 -0.383 0.000 1.054 91 K CB 0.307 32.141 32.500 -1.109 0.000 0.824 91 K HN -0.005 nan 8.250 nan 0.000 0.510 92 N N 1.796 120.622 118.700 0.209 0.000 2.597 92 N HA -0.010 4.730 4.740 0.000 0.000 0.269 92 N C -0.756 174.996 175.510 0.404 0.000 1.204 92 N CA 0.225 53.428 53.050 0.256 0.000 0.947 92 N CB 0.753 39.433 38.487 0.323 0.000 1.258 92 N HN 0.236 nan 8.380 nan 0.000 0.508 93 T N -4.288 110.488 114.554 0.370 0.000 2.918 93 T HA 0.340 4.690 4.350 0.000 0.000 0.286 93 T C 1.549 176.454 174.700 0.341 0.000 1.026 93 T CA -0.765 61.532 62.100 0.329 0.000 1.031 93 T CB 1.620 70.632 68.868 0.240 0.000 1.046 93 T HN -0.180 nan 8.240 nan 0.000 0.479 94 V N 1.397 121.479 119.914 0.280 0.000 2.324 94 V HA -0.146 3.974 4.120 0.000 0.000 0.250 94 V C 2.889 179.056 176.094 0.120 0.000 1.060 94 V CA 1.848 64.287 62.300 0.231 0.000 1.042 94 V CB -0.840 31.052 31.823 0.115 0.000 0.650 94 V HN 0.884 nan 8.190 nan 0.000 0.450 95 E N -0.376 119.832 120.200 0.013 0.000 2.058 95 E HA -0.212 4.138 4.350 0.000 0.000 0.194 95 E C 2.118 178.655 176.600 -0.104 0.000 0.997 95 E CA 1.679 58.012 56.400 -0.113 0.000 0.801 95 E CB -0.323 29.199 29.700 -0.298 0.000 0.746 95 E HN 0.758 nan 8.360 nan 0.000 0.450 96 Y N 0.999 121.371 120.300 0.121 0.000 2.516 96 Y HA -0.033 4.517 4.550 0.000 0.000 0.291 96 Y C 2.342 178.263 175.900 0.034 0.000 1.131 96 Y CA 0.587 58.741 58.100 0.090 0.000 1.281 96 Y CB -0.048 38.460 38.460 0.079 0.000 1.013 96 Y HN 0.044 nan 8.280 nan 0.000 0.554 97 Q N 0.092 119.990 119.800 0.164 0.000 2.245 97 Q HA -0.066 4.274 4.340 0.000 0.000 0.201 97 Q C 1.582 177.646 176.000 0.106 0.000 0.955 97 Q CA 0.912 56.768 55.803 0.088 0.000 0.870 97 Q CB 0.033 28.808 28.738 0.061 0.000 0.945 97 Q HN 0.496 nan 8.270 nan 0.000 0.461 98 K N 0.351 120.816 120.400 0.108 0.000 2.284 98 K HA 0.096 4.416 4.320 0.000 0.000 0.198 98 K C 0.456 177.105 176.600 0.083 0.000 1.048 98 K CA 0.329 56.664 56.287 0.081 0.000 0.987 98 K CB 0.494 33.029 32.500 0.058 0.000 0.800 98 K HN 0.108 nan 8.250 nan 0.000 0.486 99 N N 1.551 120.319 118.700 0.114 0.000 2.765 99 N HA 0.078 4.818 4.740 0.000 0.000 0.277 99 N C 0.339 175.984 175.510 0.226 0.000 1.750 99 N CA 0.038 53.171 53.050 0.138 0.000 0.827 99 N CB 1.139 39.692 38.487 0.110 0.000 1.200 99 N HN 0.054 nan 8.380 nan 0.000 0.494 100 I N 0.510 121.194 120.570 0.189 0.000 2.264 100 I HA -0.243 3.927 4.170 0.000 0.000 0.248 100 I C 0.954 177.207 176.117 0.226 0.000 1.111 100 I CA 1.759 63.176 61.300 0.194 0.000 1.382 100 I CB 0.284 38.358 38.000 0.123 0.000 1.060 100 I HN 0.144 nan 8.210 nan 0.000 0.418 101 D N 1.082 121.611 120.400 0.215 0.000 2.263 101 D HA -0.147 4.493 4.640 0.000 0.000 0.208 101 D C 1.994 178.407 176.300 0.187 0.000 0.971 101 D CA 0.620 54.749 54.000 0.214 0.000 0.867 101 D CB -0.080 40.878 40.800 0.264 0.000 0.929 101 D HN 0.315 nan 8.370 nan 0.000 0.492 102 K N 0.060 120.604 120.400 0.240 0.000 2.360 102 K HA -0.114 4.206 4.320 0.000 0.000 0.201 102 K C 1.762 178.489 176.600 0.212 0.000 1.046 102 K CA 0.085 56.522 56.287 0.250 0.000 0.945 102 K CB -0.433 32.273 32.500 0.345 0.000 0.750 102 K HN 0.228 nan 8.250 nan 0.000 0.464 103 F N 1.489 121.436 119.950 -0.006 0.000 2.333 103 F HA -0.169 4.358 4.527 0.000 0.000 0.300 103 F C 1.846 177.535 175.800 -0.186 0.000 1.083 103 F CA 0.544 58.375 58.000 -0.281 0.000 1.395 103 F CB -0.089 38.710 39.000 -0.336 0.000 1.056 103 F HN -0.287 nan 8.300 nan 0.000 0.529 104 V N 0.383 120.226 119.914 -0.118 0.000 2.453 104 V HA -0.376 3.744 4.120 0.000 0.000 0.252 104 V C 1.864 177.788 176.094 -0.283 0.000 1.068 104 V CA 2.372 64.547 62.300 -0.207 0.000 1.070 104 V CB -1.078 30.641 31.823 -0.175 0.000 0.664 104 V HN 0.383 nan 8.190 nan 0.000 0.461 105 N N 0.038 118.604 118.700 -0.223 0.000 2.120 105 N HA -0.138 4.602 4.740 0.000 0.000 0.188 105 N C 1.715 177.056 175.510 -0.282 0.000 1.024 105 N CA 1.380 54.314 53.050 -0.192 0.000 0.852 105 N CB -0.343 38.095 38.487 -0.081 0.000 1.003 105 N HN 0.321 nan 8.380 nan 0.000 0.424 106 V N 1.484 121.123 119.914 -0.459 0.000 2.287 106 V HA -0.245 3.875 4.120 0.000 0.000 0.248 106 V C 2.061 177.826 176.094 -0.547 0.000 1.053 106 V CA 1.522 63.486 62.300 -0.559 0.000 1.027 106 V CB -0.587 30.643 31.823 -0.989 0.000 0.646 106 V HN 0.314 nan 8.190 nan 0.000 0.447 107 I N -0.462 119.690 120.570 -0.697 0.000 2.127 107 I HA -0.265 3.905 4.170 0.000 0.000 0.241 107 I C 2.770 178.630 176.117 -0.429 0.000 1.075 107 I CA 1.425 62.352 61.300 -0.621 0.000 1.334 107 I CB -0.537 37.132 38.000 -0.553 0.000 1.040 107 I HN 0.306 nan 8.210 nan 0.000 0.405 108 Q N 0.602 120.209 119.800 -0.323 0.000 2.135 108 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 108 Q C 2.305 178.205 176.000 -0.166 0.000 0.981 108 Q CA 1.801 57.473 55.803 -0.219 0.000 0.856 108 Q CB -0.852 27.774 28.738 -0.187 0.000 0.902 108 Q HN 0.633 nan 8.270 nan 0.000 0.425 109 G N 1.162 109.863 108.800 -0.164 0.000 2.509 109 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 109 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 109 G C 0.989 175.845 174.900 -0.073 0.000 1.124 109 G CA 0.677 45.716 45.100 -0.101 0.000 0.776 109 G HN 0.514 nan 8.290 nan 0.000 0.547 110 Q N -0.625 119.116 119.800 -0.098 0.000 2.141 110 Q HA 0.453 4.793 4.340 0.000 0.000 0.248 110 Q C -0.400 175.587 176.000 -0.022 0.000 0.834 110 Q CA -0.300 55.484 55.803 -0.032 0.000 1.096 110 Q CB 0.178 28.924 28.738 0.014 0.000 1.189 110 Q HN 0.235 nan 8.270 nan 0.000 0.471 111 L N 1.813 122.999 121.223 -0.061 0.000 2.298 111 L HA 0.556 4.896 4.340 0.000 0.000 0.284 111 L C -0.968 175.901 176.870 -0.001 0.000 1.013 111 L CA -0.871 53.954 54.840 -0.025 0.000 0.824 111 L CB 1.552 43.564 42.059 -0.078 0.000 1.221 111 L HN 0.211 nan 8.230 nan 0.000 0.418 112 M N 2.248 121.873 119.600 0.042 0.000 2.167 112 M HA 0.300 4.780 4.480 0.000 0.000 0.333 112 M C 0.102 176.439 176.300 0.061 0.000 1.030 112 M CA -0.172 55.159 55.300 0.051 0.000 0.963 112 M CB 1.750 34.399 32.600 0.081 0.000 1.589 112 M HN 0.314 nan 8.290 nan 0.000 0.431 113 S N 1.736 117.458 115.700 0.038 0.000 2.552 113 S HA 0.093 4.563 4.470 0.000 0.000 0.289 113 S C 1.461 176.097 174.600 0.060 0.000 1.304 113 S CA -0.502 57.721 58.200 0.038 0.000 1.063 113 S CB 0.514 63.723 63.200 0.015 0.000 0.848 113 S HN 0.586 nan 8.310 nan 0.000 0.499 114 V N 2.534 122.497 119.914 0.082 0.000 2.346 114 V HA 0.024 4.144 4.120 0.000 0.000 0.244 114 V C 1.174 177.269 176.094 0.002 0.000 1.037 114 V CA 1.329 63.670 62.300 0.069 0.000 1.029 114 V CB 0.109 32.012 31.823 0.133 0.000 0.663 114 V HN 0.783 nan 8.190 nan 0.000 0.454 115 S N -0.401 115.319 115.700 0.034 0.000 2.776 115 S HA 0.536 5.006 4.470 0.000 0.000 0.284 115 S C -1.142 173.458 174.600 -0.001 0.000 1.160 115 S CA -0.447 57.735 58.200 -0.030 0.000 1.051 115 S CB 1.461 64.600 63.200 -0.101 0.000 1.037 115 S HN -0.001 nan 8.310 nan 0.000 0.485 116 V N 7.805 127.705 119.914 -0.022 0.000 2.357 116 V HA 0.551 4.671 4.120 0.000 0.000 0.284 116 V C -1.993 174.081 176.094 -0.033 0.000 1.018 116 V CA -1.821 60.466 62.300 -0.022 0.000 0.841 116 V CB 1.475 33.285 31.823 -0.021 0.000 0.991 116 V HN 0.702 nan 8.190 nan 0.000 0.437 117 P HA 0.156 nan 4.420 nan 0.000 0.272 117 P C -0.141 177.133 177.300 -0.044 0.000 1.240 117 P CA -0.118 62.960 63.100 -0.036 0.000 0.791 117 P CB 0.840 32.521 31.700 -0.033 0.000 0.978 118 V N 2.246 122.137 119.914 -0.038 0.000 2.599 118 V HA -0.031 4.089 4.120 0.000 0.000 0.300 118 V C 1.253 177.297 176.094 -0.084 0.000 1.034 118 V CA 0.177 62.450 62.300 -0.044 0.000 1.115 118 V CB -0.609 31.209 31.823 -0.009 0.000 0.934 118 V HN 0.621 nan 8.190 nan 0.000 0.485 119 N N 3.544 122.186 118.700 -0.097 0.000 2.488 119 N HA 0.103 4.843 4.740 0.000 0.000 0.274 119 N C 0.597 175.940 175.510 -0.279 0.000 1.111 119 N CA 0.369 53.335 53.050 -0.140 0.000 0.974 119 N CB 1.598 40.030 38.487 -0.091 0.000 1.089 119 N HN 0.860 nan 8.380 nan 0.000 0.465 120 T N 0.842 115.121 114.554 -0.459 0.000 3.200 120 T HA 0.270 4.620 4.350 0.000 0.000 0.284 120 T C 0.804 175.046 174.700 -0.764 0.000 1.009 120 T CA -0.429 61.020 62.100 -1.084 0.000 0.907 120 T CB -0.414 67.949 68.868 -0.842 0.000 1.120 120 T HN 0.281 nan 8.240 nan 0.000 0.534 121 L N 2.140 123.174 121.223 -0.314 0.000 2.453 121 L HA 0.353 4.693 4.340 0.000 0.000 0.272 121 L C 0.069 176.976 176.870 0.062 0.000 1.182 121 L CA -0.748 54.027 54.840 -0.109 0.000 0.858 121 L CB 0.888 42.918 42.059 -0.048 0.000 1.120 121 L HN 0.071 nan 8.230 nan 0.000 0.474 122 V N 4.797 124.768 119.914 0.095 0.000 2.408 122 V HA 0.132 4.252 4.120 0.000 0.000 0.267 122 V C 0.236 176.394 176.094 0.107 0.000 1.047 122 V CA -0.449 61.961 62.300 0.182 0.000 0.937 122 V CB 1.329 33.240 31.823 0.147 0.000 0.999 122 V HN 0.418 nan 8.190 nan 0.000 0.472 123 V N 5.436 125.416 119.914 0.110 0.000 2.311 123 V HA 0.336 4.456 4.120 0.000 0.000 0.275 123 V C 0.265 176.388 176.094 0.048 0.000 1.022 123 V CA -0.429 61.911 62.300 0.066 0.000 0.830 123 V CB 1.244 33.106 31.823 0.065 0.000 1.012 123 V HN 1.054 nan 8.190 nan 0.000 0.452 124 D N 2.035 122.456 120.400 0.035 0.000 2.538 124 D HA 0.017 4.657 4.640 0.000 0.000 0.231 124 D C 1.087 177.396 176.300 0.014 0.000 1.229 124 D CA 0.168 54.180 54.000 0.020 0.000 0.828 124 D CB 0.411 41.222 40.800 0.019 0.000 1.035 124 D HN 0.549 nan 8.370 nan 0.000 0.495 125 T N -1.912 112.654 114.554 0.019 0.000 3.228 125 T HA 0.334 4.684 4.350 0.000 0.000 0.278 125 T C 0.660 175.371 174.700 0.018 0.000 1.014 125 T CA -0.539 61.570 62.100 0.016 0.000 0.904 125 T CB -0.225 68.653 68.868 0.016 0.000 1.110 125 T HN 0.021 nan 8.240 nan 0.000 0.541 126 L N 1.912 123.147 121.223 0.020 0.000 2.467 126 L HA 0.346 4.686 4.340 0.000 0.000 0.270 126 L C 1.132 178.012 176.870 0.018 0.000 1.205 126 L CA -0.583 54.272 54.840 0.025 0.000 0.828 126 L CB 0.527 42.604 42.059 0.031 0.000 1.101 126 L HN 0.246 nan 8.230 nan 0.000 0.479 127 S N 1.640 117.354 115.700 0.023 0.000 2.568 127 S HA 0.108 4.578 4.470 0.000 0.000 0.282 127 S C -1.485 173.123 174.600 0.014 0.000 1.338 127 S CA -1.024 57.187 58.200 0.018 0.000 1.045 127 S CB 0.789 64.003 63.200 0.023 0.000 0.873 127 S HN 0.394 nan 8.310 nan 0.000 0.516 128 P HA -0.046 nan 4.420 nan 0.000 0.223 128 P C 1.306 178.609 177.300 0.005 0.000 1.144 128 P CA 1.121 64.219 63.100 -0.003 0.000 0.783 128 P CB -0.202 31.495 31.700 -0.005 0.000 0.771 129 T N -5.514 109.051 114.554 0.019 0.000 3.067 129 T HA 0.084 4.434 4.350 0.000 0.000 0.261 129 T C 1.058 175.792 174.700 0.057 0.000 1.110 129 T CA 0.117 62.236 62.100 0.032 0.000 1.113 129 T CB -0.615 68.272 68.868 0.032 0.000 0.917 129 T HN -0.102 nan 8.240 nan 0.000 0.499 130 S N 1.332 117.068 115.700 0.061 0.000 2.576 130 S HA 0.301 4.771 4.470 0.000 0.000 0.276 130 S C -0.560 174.124 174.600 0.141 0.000 1.339 130 S CA -0.973 57.292 58.200 0.108 0.000 1.039 130 S CB 0.187 63.443 63.200 0.093 0.000 0.902 130 S HN 0.597 nan 8.310 nan 0.000 0.516 131 W N 2.793 124.100 121.300 0.012 0.000 2.216 131 W HA 0.277 4.937 4.660 0.000 0.000 0.326 131 W C 0.144 176.677 176.519 0.023 0.000 1.319 131 W CA 0.133 57.485 57.345 0.011 0.000 1.213 131 W CB 0.318 29.785 29.460 0.012 0.000 1.171 131 W HN 0.460 nan 8.180 nan 0.000 0.557 132 Q N 4.457 123.895 119.800 -0.603 0.000 2.271 132 Q HA 0.505 4.845 4.340 0.000 0.000 0.268 132 Q C -0.621 174.706 176.000 -1.122 0.000 1.021 132 Q CA -0.724 54.755 55.803 -0.541 0.000 0.802 132 Q CB 1.977 30.550 28.738 -0.275 0.000 1.282 132 Q HN 0.642 nan 8.270 nan 0.000 0.431 133 A N 1.632 123.921 122.820 -0.885 0.000 2.327 133 A HA 0.300 4.620 4.320 0.000 0.000 0.255 133 A C 0.522 177.909 177.584 -0.328 0.000 1.099 133 A CA -0.004 51.697 52.037 -0.560 0.000 0.801 133 A CB 0.528 19.529 19.000 0.002 0.000 1.062 133 A HN 0.770 nan 8.150 nan 0.000 0.496 134 S N -0.579 114.970 115.700 -0.251 0.000 2.557 134 S HA 0.220 4.690 4.470 0.000 0.000 0.223 134 S C 0.421 174.900 174.600 -0.201 0.000 0.969 134 S CA 0.480 58.551 58.200 -0.216 0.000 0.927 134 S CB -0.343 62.753 63.200 -0.173 0.000 0.806 134 S HN 1.116 nan 8.310 nan 0.000 0.489 135 T N -1.629 112.832 114.554 -0.155 0.000 2.841 135 T HA 0.633 4.983 4.350 0.000 0.000 0.296 135 T C -0.892 173.733 174.700 -0.124 0.000 1.166 135 T CA -0.722 61.294 62.100 -0.140 0.000 1.007 135 T CB 0.653 69.545 68.868 0.041 0.000 1.253 135 T HN -0.090 nan 8.240 nan 0.000 0.511 136 F N 2.988 123.009 119.950 0.119 0.000 2.626 136 F HA 0.381 4.908 4.527 0.000 0.000 0.353 136 F C 0.514 176.360 175.800 0.077 0.000 1.230 136 F CA -1.924 56.111 58.000 0.057 0.000 1.298 136 F CB -1.018 37.989 39.000 0.012 0.000 1.670 136 F HN 0.569 nan 8.300 nan 0.000 0.633 137 F N -0.927 119.116 119.950 0.155 0.000 2.435 137 F HA 0.491 5.018 4.527 0.000 0.000 0.316 137 F C 0.037 175.908 175.800 0.119 0.000 1.220 137 F CA -1.498 56.576 58.000 0.123 0.000 1.241 137 F CB -0.138 38.925 39.000 0.105 0.000 1.234 137 F HN -0.177 nan 8.300 nan 0.000 0.569 138 V N 2.977 123.033 119.914 0.238 0.000 2.421 138 V HA 0.246 4.366 4.120 0.000 0.000 0.271 138 V C 0.190 176.302 176.094 0.030 0.000 1.031 138 V CA 0.086 62.441 62.300 0.090 0.000 1.032 138 V CB -0.733 31.167 31.823 0.127 0.000 1.009 138 V HN 0.725 nan 8.190 nan 0.000 0.477 139 R N 3.780 124.196 120.500 -0.140 0.000 2.795 139 R HA 0.457 4.797 4.340 0.000 0.000 0.275 139 R C 0.134 176.384 176.300 -0.083 0.000 0.981 139 R CA -0.927 55.050 56.100 -0.206 0.000 0.917 139 R CB 1.368 31.406 30.300 -0.436 0.000 1.202 139 R HN 0.694 nan 8.270 nan 0.000 0.469 140 N N 0.716 119.392 118.700 -0.040 0.000 2.735 140 N HA -0.198 4.543 4.740 0.000 0.000 0.248 140 N C 0.468 175.967 175.510 -0.020 0.000 1.083 140 N CA 1.552 54.585 53.050 -0.028 0.000 0.703 140 N CB -1.164 37.299 38.487 -0.039 0.000 1.005 140 N HN 1.074 nan 8.380 nan 0.000 0.550 141 G N -1.734 107.061 108.800 -0.009 0.000 2.148 141 G HA2 -0.336 3.624 3.960 0.000 0.000 0.254 141 G HA3 -0.336 3.624 3.960 0.000 0.000 0.254 141 G C 0.309 175.203 174.900 -0.009 0.000 0.981 141 G CA 0.945 46.043 45.100 -0.004 0.000 0.670 141 G HN 1.315 nan 8.290 nan 0.000 0.528 142 S N -0.605 115.084 115.700 -0.019 0.000 2.584 142 S HA 0.451 4.921 4.470 0.000 0.000 0.270 142 S C 0.166 174.755 174.600 -0.018 0.000 1.346 142 S CA 0.077 58.262 58.200 -0.025 0.000 1.018 142 S CB 1.708 64.886 63.200 -0.037 0.000 0.899 142 S HN 0.626 nan 8.310 nan 0.000 0.542 143 N N 2.070 120.751 118.700 -0.031 0.000 2.546 143 N HA 0.360 5.100 4.740 0.000 0.000 0.238 143 N C -1.695 173.797 175.510 -0.031 0.000 0.984 143 N CA -2.555 50.469 53.050 -0.044 0.000 0.935 143 N CB 1.148 39.580 38.487 -0.091 0.000 1.122 143 N HN 0.355 nan 8.380 nan 0.000 0.510 144 P HA -0.069 nan 4.420 nan 0.000 0.226 144 P C 0.377 177.696 177.300 0.032 0.000 1.153 144 P CA 0.879 63.994 63.100 0.024 0.000 0.777 144 P CB 0.558 32.288 31.700 0.050 0.000 0.794 145 E N -0.171 120.035 120.200 0.010 0.000 2.274 145 E HA -0.111 4.239 4.350 0.000 0.000 0.194 145 E C 0.933 177.536 176.600 0.004 0.000 0.996 145 E CA 0.627 57.050 56.400 0.037 0.000 0.840 145 E CB -0.151 29.508 29.700 -0.068 0.000 0.772 145 E HN 0.311 nan 8.360 nan 0.000 0.491 146 Q N 2.176 121.944 119.800 -0.054 0.000 2.314 146 Q HA 0.032 4.372 4.340 0.000 0.000 0.257 146 Q C -0.862 175.141 176.000 0.006 0.000 0.975 146 Q CA -0.200 55.570 55.803 -0.055 0.000 0.933 146 Q CB 0.810 29.500 28.738 -0.080 0.000 1.195 146 Q HN -0.196 nan 8.270 nan 0.000 0.426 147 D N 5.953 126.376 120.400 0.039 0.000 2.358 147 D HA 0.070 4.710 4.640 0.000 0.000 0.258 147 D C -1.704 174.611 176.300 0.025 0.000 1.223 147 D CA -1.909 52.116 54.000 0.041 0.000 0.886 147 D CB 1.300 42.138 40.800 0.063 0.000 1.120 147 D HN 0.425 nan 8.370 nan 0.000 0.482 148 P HA -0.084 nan 4.420 nan 0.000 0.222 148 P C 1.264 178.567 177.300 0.004 0.000 1.147 148 P CA 0.737 63.836 63.100 -0.003 0.000 0.790 148 P CB 0.303 31.990 31.700 -0.022 0.000 0.780 149 L N -1.270 119.959 121.223 0.011 0.000 2.592 149 L HA 0.166 4.506 4.340 0.000 0.000 0.227 149 L C 1.456 178.342 176.870 0.026 0.000 1.127 149 L CA 0.276 55.124 54.840 0.013 0.000 0.884 149 L CB -0.210 41.853 42.059 0.007 0.000 1.065 149 L HN -0.155 nan 8.230 nan 0.000 0.457 150 R N -0.241 120.283 120.500 0.041 0.000 2.734 150 R HA 0.210 4.550 4.340 0.000 0.000 0.395 150 R C -0.405 175.954 176.300 0.098 0.000 1.096 150 R CA -0.274 55.865 56.100 0.064 0.000 1.071 150 R CB 0.298 30.637 30.300 0.066 0.000 1.348 150 R HN 0.046 nan 8.270 nan 0.000 0.600 151 N N 0.591 119.327 118.700 0.059 0.000 2.459 151 N HA 0.366 5.106 4.740 0.000 0.000 0.288 151 N C -0.736 174.698 175.510 -0.127 0.000 1.186 151 N CA -0.619 52.450 53.050 0.031 0.000 0.917 151 N CB 1.185 39.688 38.487 0.027 0.000 1.219 151 N HN 0.081 nan 8.380 nan 0.000 0.525 152 L N 2.093 123.094 121.223 -0.371 0.000 2.417 152 L HA 0.217 4.557 4.340 0.000 0.000 0.258 152 L C 1.396 178.088 176.870 -0.296 0.000 1.088 152 L CA -0.294 54.197 54.840 -0.582 0.000 0.975 152 L CB 0.477 41.799 42.059 -1.228 0.000 1.341 152 L HN 0.660 nan 8.230 nan 0.000 0.431 153 S N -0.076 115.540 115.700 -0.140 0.000 2.419 153 S HA -0.110 4.360 4.470 0.000 0.000 0.233 153 S C 1.743 176.305 174.600 -0.064 0.000 1.016 153 S CA 0.985 59.147 58.200 -0.064 0.000 0.974 153 S CB -0.142 63.034 63.200 -0.040 0.000 0.786 153 S HN 0.641 nan 8.310 nan 0.000 0.492 154 G N 0.353 109.098 108.800 -0.091 0.000 2.880 154 G HA2 0.110 4.070 3.960 0.000 0.000 0.209 154 G HA3 0.110 4.070 3.960 0.000 0.000 0.209 154 G C 0.553 175.413 174.900 -0.066 0.000 1.157 154 G CA -0.316 44.741 45.100 -0.071 0.000 0.779 154 G HN 0.356 nan 8.290 nan 0.000 0.539 155 Q N 0.599 120.339 119.800 -0.100 0.000 2.330 155 Q HA 0.503 4.843 4.340 0.000 0.000 0.279 155 Q C -0.113 175.909 176.000 0.037 0.000 1.024 155 Q CA 0.319 56.091 55.803 -0.051 0.000 0.900 155 Q CB 1.384 30.057 28.738 -0.109 0.000 1.221 155 Q HN 0.294 nan 8.270 nan 0.000 0.396 156 A N 1.919 124.773 122.820 0.058 0.000 2.609 156 A HA 0.736 5.056 4.320 0.000 0.000 0.291 156 A C -1.100 176.548 177.584 0.107 0.000 1.096 156 A CA -0.508 51.573 52.037 0.073 0.000 0.684 156 A CB 1.304 20.325 19.000 0.036 0.000 1.282 156 A HN 0.474 nan 8.150 nan 0.000 0.412 157 V N -2.167 117.824 119.914 0.128 0.000 3.040 157 V HA 0.949 5.069 4.120 0.000 0.000 0.312 157 V C -0.458 175.723 176.094 0.144 0.000 1.115 157 V CA -0.557 61.843 62.300 0.167 0.000 0.998 157 V CB 1.600 33.586 31.823 0.271 0.000 1.042 157 V HN 0.909 nan 8.190 nan 0.000 0.433 158 T N 2.615 117.253 114.554 0.141 0.000 2.812 158 T HA 0.596 4.946 4.350 0.000 0.000 0.282 158 T C -0.385 174.357 174.700 0.070 0.000 0.990 158 T CA -0.501 61.669 62.100 0.118 0.000 0.960 158 T CB 1.211 70.177 68.868 0.164 0.000 0.948 158 T HN 0.772 nan 8.240 nan 0.000 0.438 159 R N 2.473 123.000 120.500 0.046 0.000 2.402 159 R HA 0.602 4.942 4.340 0.000 0.000 0.290 159 R C -0.763 175.550 176.300 0.022 0.000 1.321 159 R CA -0.623 55.476 56.100 -0.002 0.000 1.283 159 R CB 0.892 31.159 30.300 -0.056 0.000 1.111 159 R HN 0.508 nan 8.270 nan 0.000 0.578 160 V N -1.687 118.242 119.914 0.024 0.000 3.120 160 V HA 0.440 4.560 4.120 0.000 0.000 0.303 160 V C -0.052 176.057 176.094 0.025 0.000 1.238 160 V CA -1.134 61.186 62.300 0.033 0.000 1.008 160 V CB 2.009 33.862 31.823 0.049 0.000 1.064 160 V HN 0.153 nan 8.190 nan 0.000 0.434 161 V N 3.774 123.706 119.914 0.030 0.000 2.557 161 V HA 0.472 4.592 4.120 0.000 0.000 0.301 161 V C 1.752 177.862 176.094 0.027 0.000 1.026 161 V CA 1.979 64.297 62.300 0.031 0.000 1.137 161 V CB -0.023 31.821 31.823 0.036 0.000 0.917 161 V HN 2.125 nan 8.190 nan 0.000 0.484 162 G N 3.314 112.124 108.800 0.017 0.000 2.194 162 G HA2 -0.007 3.953 3.960 0.000 0.000 0.236 162 G HA3 -0.007 3.953 3.960 0.000 0.000 0.236 162 G C 0.983 175.853 174.900 -0.050 0.000 0.987 162 G CA 0.258 45.355 45.100 -0.005 0.000 0.635 162 G HN 2.100 nan 8.290 nan 0.000 0.520 163 G N 0.118 108.898 108.800 -0.032 0.000 2.581 163 G HA2 -0.275 3.685 3.960 0.000 0.000 0.291 163 G HA3 -0.275 3.685 3.960 0.000 0.000 0.291 163 G C 1.207 176.041 174.900 -0.110 0.000 1.277 163 G CA 1.277 46.350 45.100 -0.045 0.000 0.959 163 G HN 1.087 nan 8.290 nan 0.000 0.554 164 M N 1.440 120.938 119.600 -0.169 0.000 2.460 164 M HA -0.023 4.457 4.480 0.000 0.000 0.263 164 M C 2.751 178.696 176.300 -0.593 0.000 1.071 164 M CA 1.762 56.822 55.300 -0.399 0.000 1.096 164 M CB -0.258 32.211 32.600 -0.219 0.000 1.408 164 M HN 0.736 nan 8.290 nan 0.000 0.463 165 S N -0.310 115.097 115.700 -0.488 0.000 2.547 165 S HA -0.081 4.389 4.470 0.000 0.000 0.235 165 S C 1.694 176.139 174.600 -0.258 0.000 0.980 165 S CA 1.283 59.088 58.200 -0.659 0.000 0.941 165 S CB -0.951 61.879 63.200 -0.617 0.000 0.763 165 S HN 0.587 nan 8.310 nan 0.000 0.532 166 T N -0.765 113.649 114.554 -0.233 0.000 3.118 166 T HA 0.023 4.373 4.350 0.000 0.000 0.260 166 T C 1.400 175.938 174.700 -0.271 0.000 1.139 166 T CA 0.888 62.883 62.100 -0.176 0.000 1.085 166 T CB -0.673 68.183 68.868 -0.020 0.000 0.934 166 T HN 0.913 nan 8.240 nan 0.000 0.518 167 H N -1.916 117.091 119.070 -0.105 0.000 3.680 167 H HA 0.197 4.753 4.556 0.000 0.000 0.260 167 H C 0.556 176.103 175.328 0.365 0.000 1.183 167 H CA -1.010 55.123 56.048 0.141 0.000 1.159 167 H CB -0.444 29.382 29.762 0.107 0.000 1.567 167 H HN 0.482 nan 8.280 nan 0.000 0.648 168 W N 2.835 124.083 121.300 -0.086 0.000 2.089 168 W HA 0.253 4.913 4.660 -0.000 0.000 0.355 168 W C 0.007 176.628 176.519 0.171 0.000 1.305 168 W CA -0.041 57.360 57.345 0.093 0.000 1.281 168 W CB -0.189 29.257 29.460 -0.024 0.000 1.183 168 W HN -0.175 nan 8.180 nan 0.000 0.604 169 T N 1.088 115.613 114.554 -0.047 0.000 3.088 169 T HA -0.015 4.335 4.350 0.000 0.000 0.259 169 T C 1.061 175.356 174.700 -0.675 0.000 1.122 169 T CA 1.162 63.070 62.100 -0.319 0.000 1.095 169 T CB -0.530 68.310 68.868 -0.046 0.000 0.930 169 T HN 0.673 nan 8.240 nan 0.000 0.508 170 C N 0.932 119.451 119.300 -1.303 0.000 4.617 170 C HA -0.112 4.348 4.460 0.000 0.000 0.260 170 C C 1.114 175.628 174.990 -0.794 0.000 1.288 170 C CA -0.710 57.261 59.018 -1.746 0.000 1.668 170 C CB -2.666 24.551 27.740 -0.873 0.000 1.518 170 C HN 0.766 nan 8.230 nan 0.000 0.708 171 A N 1.138 123.699 122.820 -0.431 0.000 2.396 171 A HA 0.558 4.878 4.320 0.000 0.000 0.279 171 A C 0.776 178.289 177.584 -0.117 0.000 1.165 171 A CA 1.092 53.025 52.037 -0.172 0.000 0.824 171 A CB 0.179 19.145 19.000 -0.057 0.000 1.100 171 A HN 1.364 nan 8.150 nan 0.000 0.516 172 T N 1.657 116.156 114.554 -0.092 0.000 3.466 172 T HA 0.512 4.862 4.350 0.000 0.000 0.297 172 T C -2.656 172.004 174.700 -0.067 0.000 1.640 172 T CA -1.549 60.529 62.100 -0.036 0.000 1.631 172 T CB 0.512 69.388 68.868 0.015 0.000 0.928 172 T HN 0.450 nan 8.240 nan 0.000 0.688 173 P HA 0.360 nan 4.420 nan 0.000 0.277 173 P C -0.181 176.982 177.300 -0.229 0.000 1.240 173 P CA -0.630 62.377 63.100 -0.155 0.000 0.798 173 P CB 1.130 32.709 31.700 -0.202 0.000 0.979 174 R N 1.018 121.296 120.500 -0.371 0.000 2.582 174 R HA 0.363 4.703 4.340 0.000 0.000 0.271 174 R C 0.126 176.309 176.300 -0.196 0.000 1.078 174 R CA -0.365 55.313 56.100 -0.703 0.000 1.127 174 R CB 0.103 29.845 30.300 -0.930 0.000 1.038 174 R HN 0.372 nan 8.270 nan 0.000 0.500 175 F N 1.954 121.671 119.950 -0.388 0.000 2.412 175 F HA 0.047 4.574 4.527 0.000 0.000 0.348 175 F C 1.021 176.645 175.800 -0.294 0.000 1.102 175 F CA -1.551 56.258 58.000 -0.318 0.000 1.196 175 F CB 0.284 39.088 39.000 -0.326 0.000 1.144 175 F HN 0.556 nan 8.300 nan 0.000 0.541 176 D N 2.389 122.722 120.400 -0.113 0.000 2.398 176 D HA 0.105 4.745 4.640 0.000 0.000 0.247 176 D C 1.057 177.273 176.300 -0.140 0.000 1.227 176 D CA -0.375 53.556 54.000 -0.115 0.000 0.980 176 D CB 0.531 41.277 40.800 -0.089 0.000 1.106 176 D HN 0.478 nan 8.370 nan 0.000 0.493 177 R N -0.350 120.091 120.500 -0.098 0.000 2.091 177 R HA -0.152 4.188 4.340 0.000 0.000 0.238 177 R C 2.082 178.326 176.300 -0.093 0.000 1.136 177 R CA 1.499 57.547 56.100 -0.087 0.000 0.959 177 R CB -0.245 30.038 30.300 -0.028 0.000 0.856 177 R HN 0.620 nan 8.270 nan 0.000 0.437 178 E N 0.525 120.668 120.200 -0.095 0.000 2.171 178 E HA -0.244 4.106 4.350 0.000 0.000 0.197 178 E C 1.683 178.175 176.600 -0.181 0.000 0.997 178 E CA 1.360 57.706 56.400 -0.090 0.000 0.810 178 E CB 0.095 29.776 29.700 -0.032 0.000 0.738 178 E HN 0.473 nan 8.360 nan 0.000 0.467 179 Q N -0.616 118.988 119.800 -0.327 0.000 2.319 179 Q HA 0.115 4.455 4.340 0.000 0.000 0.209 179 Q C 0.528 176.431 176.000 -0.163 0.000 0.884 179 Q CA -0.112 55.435 55.803 -0.426 0.000 0.938 179 Q CB 0.689 28.876 28.738 -0.918 0.000 1.098 179 Q HN -0.061 nan 8.270 nan 0.000 0.517 180 R N 1.949 122.391 120.500 -0.097 0.000 2.460 180 R HA 0.308 4.648 4.340 0.000 0.000 0.303 180 R C -2.588 173.683 176.300 -0.049 0.000 0.968 180 R CA -2.131 53.911 56.100 -0.097 0.000 0.889 180 R CB 0.964 31.035 30.300 -0.382 0.000 1.123 180 R HN -0.146 nan 8.270 nan 0.000 0.455 181 P HA 0.038 nan 4.420 nan 0.000 0.271 181 P C -0.542 176.918 177.300 0.267 0.000 1.216 181 P CA -0.066 63.114 63.100 0.134 0.000 0.776 181 P CB 0.553 32.350 31.700 0.162 0.000 0.881 182 L N 3.161 124.518 121.223 0.222 0.000 2.416 182 L HA 0.114 4.454 4.340 0.000 0.000 0.272 182 L C 1.597 178.646 176.870 0.299 0.000 1.161 182 L CA -0.002 55.042 54.840 0.340 0.000 0.845 182 L CB 0.214 42.520 42.059 0.412 0.000 1.119 182 L HN 0.402 nan 8.230 nan 0.000 0.464 183 L N 3.469 124.904 121.223 0.353 0.000 2.575 183 L HA 0.203 4.543 4.340 0.000 0.000 0.228 183 L C -0.132 176.928 176.870 0.316 0.000 1.075 183 L CA 0.185 55.127 54.840 0.170 0.000 0.867 183 L CB 0.789 42.736 42.059 -0.187 0.000 1.097 183 L HN 0.328 nan 8.230 nan 0.000 0.485 184 V N 0.604 120.696 119.914 0.297 0.000 2.540 184 V HA 0.257 4.377 4.120 0.000 0.000 0.302 184 V C -0.341 175.827 176.094 0.122 0.000 1.035 184 V CA -1.023 61.380 62.300 0.171 0.000 0.873 184 V CB 1.854 33.733 31.823 0.093 0.000 0.992 184 V HN 0.106 nan 8.190 nan 0.000 0.428 185 K N 3.226 123.561 120.400 -0.109 0.000 2.276 185 K HA 0.297 4.617 4.320 0.000 0.000 0.283 185 K C -0.179 176.377 176.600 -0.074 0.000 1.044 185 K CA -0.318 55.844 56.287 -0.209 0.000 0.944 185 K CB 0.302 32.515 32.500 -0.477 0.000 1.012 185 K HN 0.737 nan 8.250 nan 0.000 0.472 186 D N 2.103 122.489 120.400 -0.024 0.000 2.708 186 D HA -0.181 4.459 4.640 0.000 0.000 0.236 186 D C -0.721 175.584 176.300 0.008 0.000 1.146 186 D CA 1.281 55.278 54.000 -0.006 0.000 0.662 186 D CB -0.689 40.095 40.800 -0.027 0.000 1.059 186 D HN 0.634 nan 8.370 nan 0.000 0.428 187 D N -1.240 119.177 120.400 0.029 0.000 2.445 187 D HA 0.393 5.033 4.640 0.000 0.000 0.236 187 D C 0.767 177.102 176.300 0.059 0.000 1.315 187 D CA 0.117 54.138 54.000 0.035 0.000 0.924 187 D CB 0.598 41.412 40.800 0.024 0.000 1.447 187 D HN -0.001 nan 8.370 nan 0.000 0.532 188 A N 2.604 125.460 122.820 0.060 0.000 1.930 188 A HA -0.117 4.203 4.320 0.000 0.000 0.217 188 A C 1.617 179.250 177.584 0.080 0.000 1.175 188 A CA 1.257 53.340 52.037 0.076 0.000 0.627 188 A CB 0.016 19.054 19.000 0.062 0.000 0.815 188 A HN 0.451 nan 8.150 nan 0.000 0.443 189 D N 0.236 120.672 120.400 0.061 0.000 2.117 189 D HA -0.037 4.603 4.640 0.000 0.000 0.198 189 D C 2.232 178.571 176.300 0.066 0.000 0.982 189 D CA 1.472 55.508 54.000 0.059 0.000 0.828 189 D CB -0.410 40.416 40.800 0.043 0.000 0.967 189 D HN 0.417 nan 8.370 nan 0.000 0.464 190 A N 0.893 123.748 122.820 0.059 0.000 1.873 190 A HA -0.210 4.110 4.320 0.000 0.000 0.215 190 A C 1.984 179.613 177.584 0.075 0.000 1.186 190 A CA 2.033 54.101 52.037 0.052 0.000 0.616 190 A CB -0.714 18.309 19.000 0.038 0.000 0.823 190 A HN 0.192 nan 8.150 nan 0.000 0.442 191 D N -0.235 120.233 120.400 0.113 0.000 2.092 191 D HA -0.189 4.451 4.640 0.000 0.000 0.193 191 D C 1.322 177.784 176.300 0.270 0.000 0.994 191 D CA 1.722 55.837 54.000 0.191 0.000 0.828 191 D CB -0.172 40.768 40.800 0.234 0.000 0.963 191 D HN 0.351 nan 8.370 nan 0.000 0.450 192 D N -0.275 120.254 120.400 0.215 0.000 2.133 192 D HA -0.190 4.450 4.640 0.000 0.000 0.192 192 D C 1.977 178.389 176.300 0.187 0.000 1.001 192 D CA 1.672 55.798 54.000 0.210 0.000 0.844 192 D CB -0.645 40.233 40.800 0.130 0.000 0.944 192 D HN 0.357 nan 8.370 nan 0.000 0.447 193 A N 0.410 123.299 122.820 0.115 0.000 1.930 193 A HA -0.186 4.134 4.320 0.000 0.000 0.217 193 A C 2.138 179.752 177.584 0.049 0.000 1.175 193 A CA 1.917 53.999 52.037 0.074 0.000 0.627 193 A CB -0.517 18.509 19.000 0.044 0.000 0.815 193 A HN 0.208 nan 8.150 nan 0.000 0.443 194 E N -0.824 119.384 120.200 0.014 0.000 2.031 194 E HA -0.203 4.147 4.350 0.000 0.000 0.193 194 E C 1.687 178.191 176.600 -0.159 0.000 0.994 194 E CA 1.588 57.922 56.400 -0.111 0.000 0.800 194 E CB -0.483 29.103 29.700 -0.190 0.000 0.752 194 E HN 0.704 nan 8.360 nan 0.000 0.447 195 W N 0.859 122.121 121.300 -0.062 0.000 2.338 195 W HA -0.162 4.498 4.660 0.000 0.000 0.304 195 W C 2.227 178.741 176.519 -0.008 0.000 1.212 195 W CA 1.392 58.666 57.345 -0.117 0.000 1.264 195 W CB -0.476 28.962 29.460 -0.038 0.000 1.142 195 W HN 0.276 nan 8.180 nan 0.000 0.512 196 D N -0.188 120.379 120.400 0.279 0.000 2.117 196 D HA -0.202 4.438 4.640 0.000 0.000 0.197 196 D C 2.140 178.514 176.300 0.123 0.000 0.987 196 D CA 1.482 55.614 54.000 0.221 0.000 0.829 196 D CB -0.221 40.666 40.800 0.145 0.000 0.961 196 D HN -0.038 nan 8.370 nan 0.000 0.460 197 R N -0.400 120.124 120.500 0.040 0.000 2.070 197 R HA -0.088 4.253 4.340 0.000 0.000 0.233 197 R C 2.480 178.738 176.300 -0.070 0.000 1.137 197 R CA 1.245 57.330 56.100 -0.024 0.000 0.945 197 R CB -0.298 29.966 30.300 -0.060 0.000 0.845 197 R HN 0.263 nan 8.270 nan 0.000 0.430 198 L N -0.778 120.364 121.223 -0.135 0.000 2.056 198 L HA -0.185 4.155 4.340 0.000 0.000 0.207 198 L C 2.322 179.120 176.870 -0.121 0.000 1.078 198 L CA 1.160 55.868 54.840 -0.221 0.000 0.749 198 L CB -0.582 41.230 42.059 -0.412 0.000 0.901 198 L HN 0.218 nan 8.230 nan 0.000 0.433 199 Y N 0.389 120.692 120.300 0.005 0.000 2.224 199 Y HA -0.219 4.331 4.550 0.000 0.000 0.289 199 Y C 2.872 178.755 175.900 -0.028 0.000 1.146 199 Y CA 1.472 59.584 58.100 0.020 0.000 1.182 199 Y CB -1.070 37.435 38.460 0.074 0.000 0.983 199 Y HN 0.135 nan 8.280 nan 0.000 0.524 200 T N -0.324 114.308 114.554 0.129 0.000 2.746 200 T HA -0.221 4.129 4.350 0.000 0.000 0.267 200 T C 1.986 176.658 174.700 -0.047 0.000 1.039 200 T CA 1.697 63.822 62.100 0.042 0.000 1.142 200 T CB -0.177 68.706 68.868 0.026 0.000 0.866 200 T HN 0.226 nan 8.240 nan 0.000 0.444 201 K N 0.870 121.185 120.400 -0.141 0.000 2.026 201 K HA -0.052 4.268 4.320 0.000 0.000 0.208 201 K C 2.549 178.848 176.600 -0.503 0.000 1.048 201 K CA 1.245 57.321 56.287 -0.351 0.000 0.929 201 K CB -0.340 31.898 32.500 -0.436 0.000 0.713 201 K HN 0.271 nan 8.250 nan 0.000 0.439 202 A N 1.264 123.896 122.820 -0.315 0.000 1.908 202 A HA -0.230 4.090 4.320 0.000 0.000 0.218 202 A C 1.855 179.451 177.584 0.021 0.000 1.181 202 A CA 1.927 53.849 52.037 -0.191 0.000 0.627 202 A CB -0.557 18.442 19.000 -0.001 0.000 0.818 202 A HN 0.479 nan 8.150 nan 0.000 0.445 203 E N 0.066 120.317 120.200 0.085 0.000 2.110 203 E HA -0.159 4.191 4.350 0.000 0.000 0.193 203 E C 2.368 179.053 176.600 0.142 0.000 0.988 203 E CA 1.414 57.906 56.400 0.153 0.000 0.804 203 E CB -0.180 29.582 29.700 0.103 0.000 0.745 203 E HN 0.820 nan 8.360 nan 0.000 0.458 204 S N 0.099 115.835 115.700 0.060 0.000 2.383 204 S HA -0.175 4.295 4.470 0.000 0.000 0.227 204 S C 1.923 176.662 174.600 0.232 0.000 1.026 204 S CA 0.691 58.953 58.200 0.103 0.000 0.981 204 S CB -0.421 62.810 63.200 0.052 0.000 0.818 204 S HN 0.206 nan 8.310 nan 0.000 0.472 205 Y N 0.641 120.954 120.300 0.022 0.000 2.181 205 Y HA 0.116 4.666 4.550 0.000 0.000 0.288 205 Y C 2.030 177.956 175.900 0.043 0.000 1.146 205 Y CA -0.041 58.039 58.100 -0.034 0.000 1.164 205 Y CB -1.089 37.269 38.460 -0.170 0.000 0.982 205 Y HN 0.309 nan 8.280 nan 0.000 0.515 206 F N 0.225 120.328 119.950 0.256 0.000 2.780 206 F HA 0.033 4.560 4.527 0.000 0.000 0.299 206 F C 0.826 176.739 175.800 0.188 0.000 1.146 206 F CA 0.161 58.302 58.000 0.235 0.000 1.428 206 F CB -0.332 38.829 39.000 0.268 0.000 1.115 206 F HN -0.008 nan 8.300 nan 0.000 0.583 207 Q N 0.505 120.495 119.800 0.317 0.000 2.463 207 Q HA -0.193 4.147 4.340 0.000 0.000 0.299 207 Q C 0.044 176.137 176.000 0.155 0.000 1.353 207 Q CA 0.730 56.648 55.803 0.190 0.000 0.828 207 Q CB -2.617 26.210 28.738 0.149 0.000 1.157 207 Q HN 0.204 nan 8.270 nan 0.000 0.436 208 T N -0.025 114.633 114.554 0.174 0.000 2.901 208 T HA 0.488 4.838 4.350 0.000 0.000 0.301 208 T C 0.755 175.492 174.700 0.062 0.000 1.012 208 T CA 0.530 62.697 62.100 0.111 0.000 1.135 208 T CB 1.339 70.283 68.868 0.126 0.000 0.936 208 T HN 0.484 nan 8.240 nan 0.000 0.539 209 G N 0.679 109.500 108.800 0.034 0.000 2.708 209 G HA2 0.555 4.515 3.960 0.000 0.000 0.289 209 G HA3 0.555 4.515 3.960 0.000 0.000 0.289 209 G C 0.058 174.970 174.900 0.020 0.000 1.416 209 G CA -0.627 44.484 45.100 0.019 0.000 0.829 209 G HN 0.616 nan 8.290 nan 0.000 0.480 210 T N -2.398 112.167 114.554 0.020 0.000 3.339 210 T HA 0.286 4.636 4.350 0.000 0.000 0.292 210 T C -0.004 174.714 174.700 0.030 0.000 1.012 210 T CA 0.386 62.506 62.100 0.033 0.000 0.937 210 T CB 0.350 69.242 68.868 0.040 0.000 1.164 210 T HN 0.470 nan 8.240 nan 0.000 0.509 211 D N -0.001 120.399 120.400 0.001 0.000 2.520 211 D HA 0.085 4.725 4.640 0.000 0.000 0.223 211 D C 1.335 177.576 176.300 -0.097 0.000 1.186 211 D CA -0.125 53.854 54.000 -0.034 0.000 0.821 211 D CB -0.112 40.662 40.800 -0.044 0.000 1.072 211 D HN 0.251 nan 8.370 nan 0.000 0.518 212 Q N -0.417 119.326 119.800 -0.094 0.000 2.364 212 Q HA 0.156 4.496 4.340 0.000 0.000 0.207 212 Q C 0.272 175.903 176.000 -0.615 0.000 0.970 212 Q CA 0.924 56.540 55.803 -0.312 0.000 0.888 212 Q CB -0.253 28.291 28.738 -0.325 0.000 0.951 212 Q HN 0.302 nan 8.270 nan 0.000 0.469 213 F N -0.128 119.653 119.950 -0.282 0.000 2.698 213 F HA 0.233 4.760 4.527 0.000 0.000 0.304 213 F C 1.141 176.739 175.800 -0.335 0.000 1.108 213 F CA -0.569 57.220 58.000 -0.351 0.000 1.263 213 F CB 0.339 39.043 39.000 -0.494 0.000 1.013 213 F HN -0.006 nan 8.300 nan 0.000 0.532 214 K N 0.326 120.631 120.400 -0.158 0.000 2.281 214 K HA -0.129 4.191 4.320 0.000 0.000 0.203 214 K C 0.597 177.052 176.600 -0.241 0.000 1.046 214 K CA 1.699 57.928 56.287 -0.097 0.000 0.938 214 K CB -0.143 32.291 32.500 -0.110 0.000 0.737 214 K HN 0.324 nan 8.250 nan 0.000 0.458 215 E N 1.464 121.395 120.200 -0.449 0.000 2.685 215 E HA 0.066 4.416 4.350 0.000 0.000 0.208 215 E C -0.921 175.404 176.600 -0.459 0.000 0.996 215 E CA -0.272 55.543 56.400 -0.975 0.000 1.054 215 E CB 1.141 30.161 29.700 -1.133 0.000 1.075 215 E HN 0.201 nan 8.360 nan 0.000 0.460 216 S N 0.788 116.432 115.700 -0.093 0.000 2.499 216 S HA 0.202 4.672 4.470 0.000 0.000 0.275 216 S C 1.286 175.978 174.600 0.154 0.000 1.257 216 S CA -0.452 57.787 58.200 0.066 0.000 1.050 216 S CB 0.453 63.755 63.200 0.171 0.000 0.937 216 S HN 0.232 nan 8.310 nan 0.000 0.490 217 I N 5.034 125.582 120.570 -0.038 0.000 2.099 217 I HA -0.205 3.965 4.170 0.000 0.000 0.239 217 I C 2.736 178.656 176.117 -0.328 0.000 1.066 217 I CA 1.321 62.314 61.300 -0.511 0.000 1.324 217 I CB -0.288 37.203 38.000 -0.849 0.000 1.037 217 I HN 0.712 nan 8.210 nan 0.000 0.401 218 R N -0.443 119.961 120.500 -0.159 0.000 2.103 218 R HA -0.268 4.072 4.340 0.000 0.000 0.242 218 R C 2.371 178.693 176.300 0.036 0.000 1.142 218 R CA 2.037 58.102 56.100 -0.058 0.000 0.960 218 R CB -0.831 29.452 30.300 -0.029 0.000 0.858 218 R HN 0.455 nan 8.270 nan 0.000 0.439 219 H N 1.177 120.262 119.070 0.025 0.000 2.290 219 H HA -0.071 4.485 4.556 0.000 0.000 0.298 219 H C 1.802 177.199 175.328 0.115 0.000 1.087 219 H CA 2.000 58.088 56.048 0.067 0.000 1.291 219 H CB -0.177 29.658 29.762 0.121 0.000 1.369 219 H HN 0.148 nan 8.280 nan 0.000 0.492 220 N N 0.057 118.855 118.700 0.162 0.000 2.244 220 N HA -0.131 4.609 4.740 0.000 0.000 0.183 220 N C 2.047 177.703 175.510 0.243 0.000 1.016 220 N CA 1.028 54.219 53.050 0.235 0.000 0.866 220 N CB -0.230 38.607 38.487 0.583 0.000 0.980 220 N HN 0.301 nan 8.380 nan 0.000 0.430 221 L N 1.422 122.786 121.223 0.235 0.000 1.989 221 L HA -0.138 4.202 4.340 0.000 0.000 0.211 221 L C 2.176 179.106 176.870 0.100 0.000 1.071 221 L CA 1.422 56.412 54.840 0.250 0.000 0.749 221 L CB -0.632 41.513 42.059 0.144 0.000 0.890 221 L HN -0.123 nan 8.230 nan 0.000 0.431 222 V N -0.738 119.185 119.914 0.015 0.000 2.307 222 V HA -0.260 3.860 4.120 0.000 0.000 0.245 222 V C 2.456 178.486 176.094 -0.108 0.000 1.045 222 V CA 1.672 63.949 62.300 -0.038 0.000 1.024 222 V CB -0.730 31.052 31.823 -0.069 0.000 0.651 222 V HN 0.505 nan 8.190 nan 0.000 0.449 223 L N 1.037 122.156 121.223 -0.173 0.000 2.012 223 L HA -0.192 4.148 4.340 0.000 0.000 0.210 223 L C 2.224 179.032 176.870 -0.103 0.000 1.073 223 L CA 2.124 56.856 54.840 -0.180 0.000 0.748 223 L CB -0.926 40.981 42.059 -0.254 0.000 0.891 223 L HN 0.332 nan 8.230 nan 0.000 0.431 224 N N -0.335 118.354 118.700 -0.019 0.000 2.188 224 N HA -0.188 4.552 4.740 0.000 0.000 0.184 224 N C 1.834 177.333 175.510 -0.019 0.000 1.018 224 N CA 1.205 54.263 53.050 0.013 0.000 0.858 224 N CB -0.299 38.228 38.487 0.066 0.000 0.989 224 N HN 0.269 nan 8.380 nan 0.000 0.426 225 K N 1.496 121.883 120.400 -0.021 0.000 2.025 225 K HA 0.071 4.391 4.320 0.000 0.000 0.207 225 K C 1.981 178.540 176.600 -0.069 0.000 1.049 225 K CA 0.882 57.154 56.287 -0.024 0.000 0.933 225 K CB -0.520 31.983 32.500 0.006 0.000 0.714 225 K HN 0.104 nan 8.250 nan 0.000 0.438 226 L N 0.179 121.294 121.223 -0.180 0.000 2.046 226 L HA -0.179 4.161 4.340 0.000 0.000 0.208 226 L C 2.242 178.928 176.870 -0.307 0.000 1.077 226 L CA 1.755 56.367 54.840 -0.380 0.000 0.747 226 L CB -0.828 40.618 42.059 -1.020 0.000 0.896 226 L HN 0.264 nan 8.230 nan 0.000 0.432 227 T N -0.810 113.605 114.554 -0.231 0.000 2.665 227 T HA -0.287 4.063 4.350 0.000 0.000 0.268 227 T C 1.776 176.525 174.700 0.081 0.000 1.035 227 T CA 1.865 63.990 62.100 0.041 0.000 1.151 227 T CB -0.169 68.737 68.868 0.065 0.000 0.862 227 T HN 0.410 nan 8.240 nan 0.000 0.438 228 E N 0.564 120.777 120.200 0.022 0.000 2.047 228 E HA -0.170 4.180 4.350 0.000 0.000 0.191 228 E C 2.194 178.797 176.600 0.004 0.000 0.987 228 E CA 0.928 57.337 56.400 0.015 0.000 0.799 228 E CB 0.035 29.728 29.700 -0.012 0.000 0.752 228 E HN 0.378 nan 8.360 nan 0.000 0.449 229 E N -0.355 119.836 120.200 -0.015 0.000 2.153 229 E HA -0.177 4.173 4.350 0.000 0.000 0.194 229 E C 0.846 177.296 176.600 -0.250 0.000 0.988 229 E CA 1.007 57.329 56.400 -0.130 0.000 0.811 229 E CB -0.029 29.581 29.700 -0.150 0.000 0.746 229 E HN 0.483 nan 8.360 nan 0.000 0.466 230 Y N 0.329 120.663 120.300 0.057 0.000 2.681 230 Y HA 0.195 4.745 4.550 0.000 0.000 0.267 230 Y C 0.522 176.487 175.900 0.107 0.000 1.166 230 Y CA -0.457 57.715 58.100 0.121 0.000 1.209 230 Y CB 0.319 38.948 38.460 0.281 0.000 1.161 230 Y HN -0.245 nan 8.280 nan 0.000 0.534 231 K N 0.591 121.082 120.400 0.152 0.000 2.472 231 K HA 0.216 4.536 4.320 0.000 0.000 0.280 231 K C 1.298 177.955 176.600 0.094 0.000 1.028 231 K CA 1.321 57.676 56.287 0.114 0.000 1.045 231 K CB -0.052 32.486 32.500 0.062 0.000 0.902 231 K HN 0.577 nan 8.250 nan 0.000 0.478 232 G N 3.035 111.893 108.800 0.097 0.000 2.184 232 G HA2 -0.312 3.648 3.960 0.000 0.000 0.264 232 G HA3 -0.312 3.648 3.960 0.000 0.000 0.264 232 G C 0.542 175.497 174.900 0.092 0.000 0.975 232 G CA 0.823 45.970 45.100 0.078 0.000 0.642 232 G HN 0.736 nan 8.290 nan 0.000 0.536 233 Q N -1.452 118.431 119.800 0.138 0.000 2.534 233 Q HA 0.287 4.627 4.340 0.000 0.000 0.252 233 Q C 1.114 177.206 176.000 0.154 0.000 0.850 233 Q CA 0.160 56.055 55.803 0.154 0.000 0.974 233 Q CB 0.956 29.814 28.738 0.199 0.000 1.205 233 Q HN 0.485 nan 8.270 nan 0.000 0.593 234 R N 0.501 121.105 120.500 0.174 0.000 2.740 234 R HA 0.404 4.744 4.340 0.000 0.000 0.273 234 R C -1.629 174.696 176.300 0.042 0.000 0.998 234 R CA -0.727 55.383 56.100 0.016 0.000 0.900 234 R CB 1.725 31.823 30.300 -0.336 0.000 1.223 234 R HN -0.043 nan 8.270 nan 0.000 0.466 235 D N 1.473 121.826 120.400 -0.078 0.000 2.192 235 D HA 0.392 5.032 4.640 0.000 0.000 0.246 235 D C -0.809 175.366 176.300 -0.208 0.000 1.042 235 D CA 0.034 54.030 54.000 -0.007 0.000 0.847 235 D CB 1.348 42.152 40.800 0.007 0.000 1.186 235 D HN 0.150 nan 8.370 nan 0.000 0.461 236 F N 1.026 120.979 119.950 0.005 0.000 2.522 236 F HA 0.356 4.883 4.527 0.000 0.000 0.324 236 F C 0.730 176.543 175.800 0.021 0.000 1.077 236 F CA -0.580 57.415 58.000 -0.009 0.000 0.944 236 F CB 1.789 40.776 39.000 -0.021 0.000 1.175 236 F HN 0.212 nan 8.300 nan 0.000 0.468 237 Q N 0.246 120.154 119.800 0.179 0.000 2.814 237 Q HA 0.363 4.703 4.340 0.000 0.000 0.322 237 Q C -1.503 174.605 176.000 0.180 0.000 0.888 237 Q CA -1.307 54.589 55.803 0.155 0.000 0.768 237 Q CB 1.683 30.480 28.738 0.098 0.000 1.443 237 Q HN 0.607 nan 8.270 nan 0.000 0.497 238 Q N 0.908 120.831 119.800 0.205 0.000 2.332 238 Q HA 0.245 4.585 4.340 0.000 0.000 0.263 238 Q C -0.545 175.514 176.000 0.098 0.000 0.979 238 Q CA -0.257 55.672 55.803 0.210 0.000 0.885 238 Q CB 0.524 29.349 28.738 0.144 0.000 1.218 238 Q HN 0.562 nan 8.270 nan 0.000 0.405 239 I N 6.986 127.592 120.570 0.059 0.000 2.821 239 I HA -0.090 4.080 4.170 0.000 0.000 0.294 239 I C -1.954 174.175 176.117 0.019 0.000 1.210 239 I CA -1.182 60.132 61.300 0.023 0.000 1.430 239 I CB 0.076 38.059 38.000 -0.029 0.000 1.356 239 I HN 0.465 nan 8.210 nan 0.000 0.563 240 P HA 0.226 nan 4.420 nan 0.000 0.271 240 P C -0.915 176.379 177.300 -0.010 0.000 1.233 240 P CA 0.161 63.264 63.100 0.005 0.000 0.764 240 P CB 0.435 32.127 31.700 -0.012 0.000 0.825 241 L N 2.406 123.633 121.223 0.007 0.000 2.386 241 L HA 0.636 4.976 4.340 0.000 0.000 0.271 241 L C 0.292 177.160 176.870 -0.003 0.000 0.993 241 L CA -1.159 53.682 54.840 0.003 0.000 0.819 241 L CB 2.170 44.294 42.059 0.108 0.000 1.294 241 L HN 0.230 nan 8.230 nan 0.000 0.414 242 A N 3.079 125.860 122.820 -0.065 0.000 2.666 242 A HA 0.771 5.091 4.320 0.000 0.000 0.312 242 A C 0.014 177.627 177.584 0.048 0.000 1.471 242 A CA 0.095 52.135 52.037 0.006 0.000 1.134 242 A CB -0.341 18.607 19.000 -0.087 0.000 1.129 242 A HN 0.787 nan 8.150 nan 0.000 0.539 243 A N 1.786 124.604 122.820 -0.003 0.000 2.594 243 A HA 0.729 5.049 4.320 0.000 0.000 0.296 243 A C -0.517 176.958 177.584 -0.181 0.000 1.056 243 A CA -0.468 51.465 52.037 -0.173 0.000 0.693 243 A CB 0.791 19.523 19.000 -0.446 0.000 1.278 243 A HN 0.623 nan 8.150 nan 0.000 0.408 244 T N 1.564 115.979 114.554 -0.233 0.000 2.847 244 T HA 0.455 4.805 4.350 0.000 0.000 0.291 244 T C -0.052 174.501 174.700 -0.244 0.000 0.998 244 T CA -0.404 61.592 62.100 -0.173 0.000 0.967 244 T CB 1.057 69.880 68.868 -0.075 0.000 0.954 244 T HN 0.719 nan 8.240 nan 0.000 0.441 245 R N 2.479 122.821 120.500 -0.264 0.000 2.442 245 R HA 0.226 4.566 4.340 0.000 0.000 0.291 245 R C 0.806 177.023 176.300 -0.139 0.000 1.069 245 R CA -0.296 55.643 56.100 -0.269 0.000 1.022 245 R CB 0.375 30.479 30.300 -0.326 0.000 0.976 245 R HN 0.423 nan 8.270 nan 0.000 0.443 246 R N 1.157 121.622 120.500 -0.058 0.000 2.250 246 R HA 0.130 4.470 4.340 0.000 0.000 0.194 246 R C 0.200 176.482 176.300 -0.029 0.000 0.927 246 R CA 0.639 56.731 56.100 -0.013 0.000 1.052 246 R CB 0.446 30.785 30.300 0.065 0.000 1.055 246 R HN 0.760 nan 8.270 nan 0.000 0.537 247 S N -1.306 114.384 115.700 -0.017 0.000 2.643 247 S HA 0.383 4.853 4.470 0.000 0.000 0.270 247 S C -2.654 171.911 174.600 -0.059 0.000 1.166 247 S CA -1.075 57.106 58.200 -0.031 0.000 0.815 247 S CB 2.275 65.475 63.200 0.000 0.000 1.139 247 S HN -0.275 nan 8.310 nan 0.000 0.472 248 P HA 0.033 nan 4.420 nan 0.000 0.228 248 P C 0.945 178.210 177.300 -0.059 0.000 1.151 248 P CA 1.564 64.614 63.100 -0.082 0.000 0.770 248 P CB -0.124 31.545 31.700 -0.051 0.000 0.786 249 T N -6.722 107.832 114.554 0.000 0.000 3.145 249 T HA 0.287 4.637 4.350 0.000 0.000 0.281 249 T C -0.239 174.522 174.700 0.101 0.000 1.003 249 T CA -0.352 61.770 62.100 0.038 0.000 0.901 249 T CB -0.590 68.320 68.868 0.070 0.000 1.112 249 T HN -0.139 nan 8.240 nan 0.000 0.535 250 F N 1.606 121.492 119.950 -0.107 0.000 2.562 250 F HA 0.654 5.181 4.527 0.000 0.000 0.319 250 F C -1.418 174.249 175.800 -0.222 0.000 1.154 250 F CA -1.040 56.891 58.000 -0.115 0.000 0.931 250 F CB 1.961 40.911 39.000 -0.083 0.000 1.198 250 F HN -0.101 nan 8.300 nan 0.000 0.444 251 V N 4.999 124.525 119.914 -0.647 0.000 2.459 251 V HA 0.303 4.423 4.120 0.000 0.000 0.295 251 V C -0.411 175.133 176.094 -0.916 0.000 1.029 251 V CA -0.845 60.991 62.300 -0.774 0.000 0.874 251 V CB 1.713 32.855 31.823 -1.135 0.000 0.985 251 V HN 0.716 nan 8.190 nan 0.000 0.438 252 E N 4.359 124.272 120.200 -0.478 0.000 1.963 252 E HA 0.190 4.540 4.350 0.000 0.000 0.274 252 E C -1.085 175.337 176.600 -0.297 0.000 1.061 252 E CA -0.580 55.703 56.400 -0.195 0.000 0.847 252 E CB 0.453 30.201 29.700 0.080 0.000 1.083 252 E HN 0.644 nan 8.360 nan 0.000 0.402 253 W N 2.953 124.158 121.300 -0.158 0.000 2.216 253 W HA 0.109 4.769 4.660 0.000 0.000 0.326 253 W C 0.655 177.209 176.519 0.058 0.000 1.319 253 W CA -0.535 56.696 57.345 -0.189 0.000 1.213 253 W CB 0.888 29.994 29.460 -0.591 0.000 1.171 253 W HN 0.327 nan 8.180 nan 0.000 0.557 254 S N 1.688 117.612 115.700 0.372 0.000 2.624 254 S HA 0.603 5.073 4.470 0.000 0.000 0.263 254 S C 0.153 175.199 174.600 0.743 0.000 1.287 254 S CA -0.591 57.893 58.200 0.472 0.000 0.990 254 S CB 1.180 64.657 63.200 0.461 0.000 0.950 254 S HN 0.518 nan 8.310 nan 0.000 0.561 255 S N -0.444 115.631 115.700 0.624 0.000 2.703 255 S HA 0.684 5.154 4.470 0.000 0.000 0.273 255 S C 0.786 175.582 174.600 0.327 0.000 1.178 255 S CA -0.325 58.166 58.200 0.486 0.000 0.838 255 S CB 0.526 63.929 63.200 0.339 0.000 1.178 255 S HN 0.728 nan 8.310 nan 0.000 0.494 256 A N 1.640 124.545 122.820 0.142 0.000 1.927 256 A HA -0.215 4.105 4.320 0.000 0.000 0.220 256 A C 2.019 179.646 177.584 0.072 0.000 1.185 256 A CA 2.259 54.335 52.037 0.065 0.000 0.639 256 A CB -1.558 17.452 19.000 0.018 0.000 0.820 256 A HN 0.877 nan 8.150 nan 0.000 0.451 257 N N -0.621 118.133 118.700 0.089 0.000 2.223 257 N HA -0.149 4.591 4.740 0.000 0.000 0.185 257 N C 1.504 177.039 175.510 0.041 0.000 1.016 257 N CA 2.013 55.090 53.050 0.045 0.000 0.863 257 N CB -0.251 38.276 38.487 0.068 0.000 0.983 257 N HN 0.468 nan 8.380 nan 0.000 0.429 258 T N 0.428 115.056 114.554 0.123 0.000 2.821 258 T HA -0.040 4.310 4.350 0.000 0.000 0.267 258 T C 2.066 176.799 174.700 0.055 0.000 1.046 258 T CA 0.968 63.144 62.100 0.128 0.000 1.139 258 T CB -0.141 68.882 68.868 0.258 0.000 0.871 258 T HN 0.050 nan 8.240 nan 0.000 0.454 259 V N -0.424 119.506 119.914 0.025 0.000 2.379 259 V HA 0.145 4.265 4.120 0.000 0.000 0.245 259 V C 0.484 176.528 176.094 -0.083 0.000 1.044 259 V CA 1.002 63.238 62.300 -0.107 0.000 1.036 259 V CB -0.343 31.368 31.823 -0.187 0.000 0.664 259 V HN 0.500 nan 8.190 nan 0.000 0.453 260 F N 0.794 120.616 119.950 -0.213 0.000 2.651 260 F HA 0.342 4.869 4.527 0.000 0.000 0.329 260 F C 0.288 175.970 175.800 -0.197 0.000 1.186 260 F CA -1.492 56.353 58.000 -0.257 0.000 1.046 260 F CB 1.264 40.057 39.000 -0.345 0.000 1.296 260 F HN 0.142 nan 8.300 nan 0.000 0.497 261 D N 5.042 124.996 120.400 -0.743 0.000 2.350 261 D HA -0.112 4.528 4.640 0.000 0.000 0.216 261 D C 1.267 177.317 176.300 -0.418 0.000 0.968 261 D CA 1.342 55.062 54.000 -0.466 0.000 0.894 261 D CB -0.024 40.544 40.800 -0.386 0.000 0.909 261 D HN 0.716 nan 8.370 nan 0.000 0.520 262 L N -1.998 118.834 121.223 -0.652 0.000 4.696 262 L HA -0.240 4.100 4.340 0.000 0.000 0.425 262 L C -0.138 176.737 176.870 0.009 0.000 1.115 262 L CA 0.464 55.205 54.840 -0.165 0.000 0.996 262 L CB -1.373 40.717 42.059 0.050 0.000 2.077 262 L HN 0.222 nan 8.230 nan 0.000 0.792 263 Q N 0.896 120.599 119.800 -0.162 0.000 2.327 263 Q HA 0.227 4.567 4.340 0.000 0.000 0.254 263 Q C 0.409 176.485 176.000 0.127 0.000 0.952 263 Q CA -0.103 55.678 55.803 -0.035 0.000 0.884 263 Q CB 0.660 29.337 28.738 -0.103 0.000 1.224 263 Q HN 0.139 nan 8.270 nan 0.000 0.422 264 N N 1.871 120.633 118.700 0.103 0.000 2.441 264 N HA 0.089 4.829 4.740 0.000 0.000 0.251 264 N C -0.299 175.280 175.510 0.114 0.000 1.242 264 N CA 0.420 53.535 53.050 0.109 0.000 0.898 264 N CB 0.577 39.031 38.487 -0.056 0.000 1.100 264 N HN 0.266 nan 8.380 nan 0.000 0.443 265 R N 0.947 121.539 120.500 0.154 0.000 2.744 265 R HA 0.461 4.801 4.340 0.000 0.000 0.279 265 R C -2.502 173.857 176.300 0.099 0.000 0.977 265 R CA -1.591 54.589 56.100 0.133 0.000 0.906 265 R CB 2.066 32.476 30.300 0.183 0.000 1.197 265 R HN 0.383 nan 8.270 nan 0.000 0.463 266 P HA 0.078 nan 4.420 nan 0.000 0.271 266 P C -1.319 176.034 177.300 0.088 0.000 1.218 266 P CA -0.210 62.976 63.100 0.145 0.000 0.780 266 P CB 0.635 32.471 31.700 0.226 0.000 0.901 267 N N -0.934 117.805 118.700 0.066 0.000 2.902 267 N HA 0.262 5.002 4.740 0.000 0.000 0.268 267 N C 0.629 176.154 175.510 0.024 0.000 1.450 267 N CA -0.765 52.305 53.050 0.035 0.000 0.819 267 N CB -0.555 37.941 38.487 0.014 0.000 1.540 267 N HN 0.054 nan 8.380 nan 0.000 0.545 268 T N -0.753 113.807 114.554 0.010 0.000 2.699 268 T HA -0.133 4.217 4.350 0.000 0.000 0.268 268 T C 0.332 175.033 174.700 0.001 0.000 1.036 268 T CA 1.848 63.950 62.100 0.004 0.000 1.147 268 T CB -0.482 68.384 68.868 -0.003 0.000 0.862 268 T HN 0.540 nan 8.240 nan 0.000 0.446 269 D N 1.103 121.500 120.400 -0.006 0.000 2.277 269 D HA 0.217 4.857 4.640 0.000 0.000 0.208 269 D C 0.802 177.101 176.300 -0.002 0.000 0.962 269 D CA 0.480 54.473 54.000 -0.012 0.000 0.865 269 D CB 0.084 40.867 40.800 -0.029 0.000 0.939 269 D HN 0.435 nan 8.370 nan 0.000 0.510 270 A N 1.015 123.843 122.820 0.014 0.000 3.266 270 A HA 0.320 4.640 4.320 0.000 0.000 0.310 270 A C -2.023 175.604 177.584 0.071 0.000 1.066 270 A CA -0.838 51.221 52.037 0.037 0.000 0.839 270 A CB 0.994 20.015 19.000 0.034 0.000 1.192 270 A HN -0.163 nan 8.150 nan 0.000 0.496 271 P HA -0.062 nan 4.420 nan 0.000 0.233 271 P C 0.587 177.967 177.300 0.134 0.000 1.167 271 P CA 1.004 64.149 63.100 0.075 0.000 0.770 271 P CB 0.525 32.239 31.700 0.024 0.000 0.837 272 E N -0.249 120.043 120.200 0.153 0.000 2.498 272 E HA 0.105 4.455 4.350 0.000 0.000 0.203 272 E C 0.157 176.978 176.600 0.368 0.000 1.013 272 E CA 0.039 56.588 56.400 0.249 0.000 0.927 272 E CB 0.526 30.297 29.700 0.119 0.000 1.012 272 E HN 0.450 nan 8.360 nan 0.000 0.482 273 E N 0.560 120.910 120.200 0.249 0.000 2.227 273 E HA 0.411 4.761 4.350 0.000 0.000 0.268 273 E C -0.385 176.275 176.600 0.100 0.000 0.990 273 E CA -0.462 56.031 56.400 0.156 0.000 0.856 273 E CB 1.473 31.253 29.700 0.134 0.000 1.159 273 E HN -0.136 nan 8.360 nan 0.000 0.401 274 R N 1.904 122.425 120.500 0.036 0.000 2.500 274 R HA 0.424 4.764 4.340 0.000 0.000 0.299 274 R C -1.639 174.743 176.300 0.136 0.000 1.038 274 R CA -0.547 55.534 56.100 -0.032 0.000 0.903 274 R CB 1.020 31.154 30.300 -0.277 0.000 1.177 274 R HN 0.410 nan 8.270 nan 0.000 0.455 275 F N 2.137 122.070 119.950 -0.027 0.000 2.635 275 F HA 0.431 4.958 4.527 0.000 0.000 0.314 275 F C -1.829 173.912 175.800 -0.098 0.000 1.119 275 F CA -0.581 57.398 58.000 -0.034 0.000 1.000 275 F CB 2.030 41.073 39.000 0.072 0.000 1.278 275 F HN 0.401 nan 8.300 nan 0.000 0.446 276 N N 4.637 122.652 118.700 -1.142 0.000 2.310 276 N HA 0.609 5.349 4.740 0.000 0.000 0.292 276 N C -2.096 172.406 175.510 -1.680 0.000 1.049 276 N CA -0.643 51.687 53.050 -1.200 0.000 0.849 276 N CB 2.441 40.429 38.487 -0.832 0.000 1.532 276 N HN 0.599 nan 8.380 nan 0.000 0.479 277 L N 2.376 122.810 121.223 -1.314 0.000 2.307 277 L HA 0.672 5.012 4.340 0.000 0.000 0.284 277 L C -1.685 174.633 176.870 -0.919 0.000 1.023 277 L CA -0.286 54.023 54.840 -0.884 0.000 0.810 277 L CB 0.313 42.199 42.059 -0.289 0.000 1.231 277 L HN 0.471 nan 8.230 nan 0.000 0.423 278 F N 6.049 125.760 119.950 -0.398 0.000 2.434 278 F HA 0.545 5.072 4.527 0.000 0.000 0.367 278 F C -2.183 173.572 175.800 -0.075 0.000 1.093 278 F CA -1.909 55.954 58.000 -0.228 0.000 1.085 278 F CB 0.895 39.738 39.000 -0.261 0.000 1.322 278 F HN 0.414 nan 8.300 nan 0.000 0.452 279 P HA 0.325 nan 4.420 nan 0.000 0.276 279 P C -0.007 177.352 177.300 0.099 0.000 1.261 279 P CA -0.136 63.007 63.100 0.073 0.000 0.800 279 P CB 0.993 32.715 31.700 0.036 0.000 1.066 280 A N -1.155 121.706 122.820 0.069 0.000 2.822 280 A HA -0.109 4.211 4.320 0.000 0.000 0.287 280 A C -0.031 177.581 177.584 0.047 0.000 1.479 280 A CA 0.754 52.824 52.037 0.054 0.000 0.779 280 A CB -2.440 16.590 19.000 0.051 0.000 1.022 280 A HN 0.249 nan 8.150 nan 0.000 0.532 281 V N -0.296 119.661 119.914 0.073 0.000 2.407 281 V HA 0.665 4.785 4.120 0.000 0.000 0.291 281 V C 0.614 176.710 176.094 0.004 0.000 1.018 281 V CA -0.328 62.010 62.300 0.064 0.000 0.842 281 V CB 1.503 33.448 31.823 0.204 0.000 0.996 281 V HN 1.451 nan 8.190 nan 0.000 0.426 282 A N 4.248 127.046 122.820 -0.038 0.000 2.347 282 A HA 0.427 4.747 4.320 0.000 0.000 0.287 282 A C 0.163 177.720 177.584 -0.044 0.000 1.199 282 A CA -0.151 51.857 52.037 -0.048 0.000 0.851 282 A CB -0.193 18.830 19.000 0.037 0.000 1.118 282 A HN 0.871 nan 8.150 nan 0.000 0.525 283 C N 2.960 122.211 119.300 -0.081 0.000 2.394 283 C HA 0.338 4.798 4.460 0.000 0.000 0.362 283 C C 1.361 176.325 174.990 -0.043 0.000 1.268 283 C CA -0.261 58.697 59.018 -0.100 0.000 1.828 283 C CB -0.446 27.226 27.740 -0.112 0.000 2.442 283 C HN 1.005 nan 8.230 nan 0.000 0.549 284 E N 1.054 121.258 120.200 0.007 0.000 2.332 284 E HA 0.136 4.486 4.350 0.000 0.000 0.202 284 E C 0.128 176.732 176.600 0.007 0.000 0.877 284 E CA 0.355 56.779 56.400 0.040 0.000 0.979 284 E CB 0.501 30.287 29.700 0.143 0.000 0.969 284 E HN 0.651 nan 8.360 nan 0.000 0.495 285 R N 0.700 121.212 120.500 0.020 0.000 2.629 285 R HA 0.325 4.665 4.340 0.000 0.000 0.266 285 R C -0.857 175.428 176.300 -0.025 0.000 1.051 285 R CA -0.568 55.521 56.100 -0.017 0.000 0.895 285 R CB 2.032 32.307 30.300 -0.042 0.000 1.246 285 R HN -0.085 nan 8.270 nan 0.000 0.459 286 V N -0.908 118.970 119.914 -0.059 0.000 2.617 286 V HA 0.629 4.749 4.120 0.000 0.000 0.298 286 V C 0.065 176.103 176.094 -0.093 0.000 1.048 286 V CA -0.776 61.453 62.300 -0.118 0.000 0.964 286 V CB 1.801 33.507 31.823 -0.194 0.000 1.004 286 V HN 0.433 nan 8.190 nan 0.000 0.466 287 V N 4.785 124.627 119.914 -0.120 0.000 2.370 287 V HA 0.489 4.609 4.120 0.000 0.000 0.279 287 V C 0.464 176.532 176.094 -0.043 0.000 1.029 287 V CA -0.495 61.763 62.300 -0.070 0.000 0.870 287 V CB 1.021 32.819 31.823 -0.043 0.000 0.984 287 V HN 0.937 nan 8.190 nan 0.000 0.451 288 R N 3.735 124.233 120.500 -0.004 0.000 2.410 288 R HA 0.333 4.673 4.340 0.000 0.000 0.288 288 R C 0.321 176.668 176.300 0.078 0.000 1.051 288 R CA -0.599 55.571 56.100 0.116 0.000 1.021 288 R CB 0.818 31.180 30.300 0.104 0.000 1.032 288 R HN 0.871 nan 8.270 nan 0.000 0.481 289 N N 1.743 120.502 118.700 0.100 0.000 2.288 289 N HA -0.016 4.724 4.740 0.000 0.000 0.237 289 N C 0.697 176.212 175.510 0.008 0.000 1.311 289 N CA 0.284 53.356 53.050 0.036 0.000 0.909 289 N CB 0.372 38.873 38.487 0.024 0.000 1.167 289 N HN 0.552 nan 8.380 nan 0.000 0.476 290 A N 0.261 123.075 122.820 -0.010 0.000 1.917 290 A HA -0.097 4.223 4.320 0.000 0.000 0.219 290 A C 2.086 179.645 177.584 -0.040 0.000 1.182 290 A CA 1.244 53.268 52.037 -0.022 0.000 0.633 290 A CB -0.793 18.195 19.000 -0.019 0.000 0.819 290 A HN 0.651 nan 8.150 nan 0.000 0.448 291 L N -1.076 120.109 121.223 -0.063 0.000 2.592 291 L HA 0.077 4.417 4.340 0.000 0.000 0.227 291 L C -0.122 176.653 176.870 -0.159 0.000 1.127 291 L CA -0.169 54.618 54.840 -0.090 0.000 0.884 291 L CB -0.324 41.688 42.059 -0.079 0.000 1.065 291 L HN 0.382 nan 8.230 nan 0.000 0.457 292 N N 0.600 119.190 118.700 -0.183 0.000 2.725 292 N HA -0.171 4.569 4.740 0.000 0.000 0.251 292 N C 0.965 175.890 175.510 -0.975 0.000 1.031 292 N CA 1.037 53.864 53.050 -0.371 0.000 0.720 292 N CB -0.994 37.428 38.487 -0.109 0.000 0.930 292 N HN 0.520 nan 8.380 nan 0.000 0.543 293 S N -1.954 113.305 115.700 -0.735 0.000 2.526 293 S HA 0.273 4.743 4.470 0.000 0.000 0.220 293 S C 0.371 174.670 174.600 -0.502 0.000 1.017 293 S CA -0.085 57.733 58.200 -0.636 0.000 0.930 293 S CB 1.593 64.636 63.200 -0.261 0.000 0.856 293 S HN 0.431 nan 8.310 nan 0.000 0.497 294 E N -0.074 119.952 120.200 -0.289 0.000 2.388 294 E HA 0.391 4.741 4.350 0.000 0.000 0.281 294 E C -1.920 174.880 176.600 0.333 0.000 1.046 294 E CA -0.786 55.714 56.400 0.166 0.000 0.825 294 E CB 1.205 30.966 29.700 0.102 0.000 1.243 294 E HN 0.063 nan 8.360 nan 0.000 0.438 295 I N 3.032 123.767 120.570 0.275 0.000 2.385 295 I HA 0.204 4.374 4.170 0.000 0.000 0.294 295 I C 0.741 176.828 176.117 -0.049 0.000 0.988 295 I CA -0.103 61.200 61.300 0.005 0.000 1.265 295 I CB 1.403 39.184 38.000 -0.365 0.000 1.388 295 I HN 0.659 nan 8.210 nan 0.000 0.480 296 E N 2.888 123.044 120.200 -0.074 0.000 2.447 296 E HA 0.111 4.461 4.350 0.000 0.000 0.204 296 E C 0.141 176.777 176.600 0.061 0.000 0.977 296 E CA 0.277 56.703 56.400 0.042 0.000 0.950 296 E CB 0.710 30.441 29.700 0.052 0.000 0.975 296 E HN 0.705 nan 8.360 nan 0.000 0.496 297 S N -0.335 115.305 115.700 -0.100 0.000 2.615 297 S HA 0.490 4.960 4.470 0.000 0.000 0.268 297 S C -1.536 173.016 174.600 -0.081 0.000 1.146 297 S CA -1.049 57.178 58.200 0.046 0.000 0.818 297 S CB 1.311 64.568 63.200 0.094 0.000 1.111 297 S HN 0.008 nan 8.310 nan 0.000 0.465 298 L N 2.034 123.322 121.223 0.108 0.000 2.305 298 L HA 0.646 4.986 4.340 0.000 0.000 0.284 298 L C -0.717 176.152 176.870 -0.002 0.000 1.013 298 L CA -0.171 54.690 54.840 0.035 0.000 0.819 298 L CB 1.161 43.273 42.059 0.089 0.000 1.227 298 L HN 1.003 nan 8.230 nan 0.000 0.417 299 H N 5.228 124.252 119.070 -0.076 0.000 2.604 299 H HA 0.610 5.166 4.556 0.000 0.000 0.306 299 H C -0.493 174.778 175.328 -0.094 0.000 1.075 299 H CA -0.244 55.765 56.048 -0.065 0.000 1.357 299 H CB 0.680 30.407 29.762 -0.057 0.000 1.426 299 H HN 0.640 nan 8.280 nan 0.000 0.470 300 I N 1.548 121.826 120.570 -0.487 0.000 2.846 300 I HA 0.429 4.599 4.170 0.000 0.000 0.307 300 I C -1.111 174.882 176.117 -0.206 0.000 1.053 300 I CA -0.992 60.121 61.300 -0.311 0.000 1.050 300 I CB 2.486 40.242 38.000 -0.407 0.000 1.239 300 I HN 0.649 nan 8.210 nan 0.000 0.439 301 H N 3.031 122.014 119.070 -0.144 0.000 2.823 301 H HA 0.232 4.788 4.556 0.000 0.000 0.332 301 H C -1.480 173.854 175.328 0.011 0.000 0.980 301 H CA -0.705 55.304 56.048 -0.064 0.000 1.286 301 H CB 1.552 31.311 29.762 -0.005 0.000 1.541 301 H HN 0.766 nan 8.280 nan 0.000 0.521 302 D N 5.520 125.919 120.400 -0.002 0.000 2.346 302 D HA -0.000 4.640 4.640 0.000 0.000 0.260 302 D C 1.118 177.247 176.300 -0.285 0.000 1.252 302 D CA -0.010 53.962 54.000 -0.047 0.000 0.895 302 D CB 0.936 41.824 40.800 0.145 0.000 1.097 302 D HN 0.668 nan 8.370 nan 0.000 0.489 303 L N 4.181 125.247 121.223 -0.261 0.000 2.395 303 L HA -0.082 4.258 4.340 0.000 0.000 0.218 303 L C 1.790 178.607 176.870 -0.089 0.000 1.130 303 L CA 0.125 54.813 54.840 -0.253 0.000 0.826 303 L CB -0.010 41.992 42.059 -0.095 0.000 0.941 303 L HN 0.504 nan 8.230 nan 0.000 0.451 304 I N -0.734 119.818 120.570 -0.030 0.000 2.556 304 I HA -0.107 4.063 4.170 0.000 0.000 0.251 304 I C 2.710 178.841 176.117 0.024 0.000 1.105 304 I CA 1.487 62.793 61.300 0.011 0.000 1.436 304 I CB -1.104 36.916 38.000 0.033 0.000 1.139 304 I HN 0.240 nan 8.210 nan 0.000 0.438 305 S N 0.493 116.217 115.700 0.040 0.000 2.446 305 S HA 0.099 4.569 4.470 0.000 0.000 0.225 305 S C 1.868 176.500 174.600 0.053 0.000 1.016 305 S CA 0.899 59.133 58.200 0.056 0.000 0.943 305 S CB 0.009 63.264 63.200 0.093 0.000 0.786 305 S HN 0.584 nan 8.310 nan 0.000 0.508 306 G N 1.103 109.936 108.800 0.055 0.000 2.205 306 G HA2 -0.217 3.743 3.960 0.000 0.000 0.261 306 G HA3 -0.217 3.743 3.960 0.000 0.000 0.261 306 G C -0.356 174.636 174.900 0.153 0.000 0.980 306 G CA 0.194 45.387 45.100 0.154 0.000 0.632 306 G HN 0.577 nan 8.290 nan 0.000 0.533 307 D N 0.637 121.058 120.400 0.036 0.000 2.423 307 D HA 0.454 5.094 4.640 0.000 0.000 0.238 307 D C 1.040 177.177 176.300 -0.271 0.000 1.142 307 D CA 0.357 54.244 54.000 -0.189 0.000 0.884 307 D CB 0.532 41.147 40.800 -0.308 0.000 1.199 307 D HN 0.440 nan 8.370 nan 0.000 0.438 308 R N 0.869 121.039 120.500 -0.550 0.000 2.664 308 R HA 0.669 5.009 4.340 0.000 0.000 0.286 308 R C -0.762 175.014 176.300 -0.872 0.000 0.967 308 R CA -0.689 55.109 56.100 -0.503 0.000 0.933 308 R CB 1.291 31.440 30.300 -0.251 0.000 1.146 308 R HN 0.295 nan 8.270 nan 0.000 0.468 309 F N -0.281 119.496 119.950 -0.289 0.000 2.668 309 F HA 0.288 4.815 4.527 0.000 0.000 0.309 309 F C -0.210 175.429 175.800 -0.268 0.000 1.117 309 F CA -1.037 56.839 58.000 -0.207 0.000 0.951 309 F CB 1.807 40.710 39.000 -0.161 0.000 1.323 309 F HN 0.155 nan 8.300 nan 0.000 0.451 310 E N 2.664 122.922 120.200 0.096 0.000 2.151 310 E HA 0.418 4.768 4.350 0.000 0.000 0.275 310 E C -0.876 175.773 176.600 0.082 0.000 0.936 310 E CA -0.473 55.970 56.400 0.072 0.000 0.777 310 E CB 2.183 31.950 29.700 0.111 0.000 1.108 310 E HN 0.289 nan 8.360 nan 0.000 0.401 311 I N 2.610 123.213 120.570 0.055 0.000 2.359 311 I HA 0.248 4.418 4.170 0.000 0.000 0.294 311 I C 0.304 176.543 176.117 0.202 0.000 0.987 311 I CA -0.897 60.465 61.300 0.102 0.000 1.225 311 I CB 1.164 39.189 38.000 0.042 0.000 1.366 311 I HN 0.260 nan 8.210 nan 0.000 0.466 312 K N 5.033 125.551 120.400 0.196 0.000 2.182 312 K HA 0.828 5.148 4.320 0.000 0.000 0.262 312 K C -1.091 175.590 176.600 0.135 0.000 0.957 312 K CA -0.311 56.101 56.287 0.210 0.000 0.842 312 K CB 1.686 34.270 32.500 0.140 0.000 1.099 312 K HN 0.793 nan 8.250 nan 0.000 0.438 313 A N 2.735 125.551 122.820 -0.006 0.000 2.593 313 A HA 0.396 4.716 4.320 0.000 0.000 0.290 313 A C -0.497 176.959 177.584 -0.214 0.000 1.126 313 A CA -0.663 51.248 52.037 -0.210 0.000 0.695 313 A CB 0.959 19.671 19.000 -0.480 0.000 1.290 313 A HN 0.756 nan 8.150 nan 0.000 0.414 314 D N -0.550 119.771 120.400 -0.131 0.000 2.183 314 D HA 0.103 4.743 4.640 0.000 0.000 0.203 314 D C 0.302 176.506 176.300 -0.159 0.000 0.969 314 D CA 1.653 55.648 54.000 -0.009 0.000 0.842 314 D CB 0.137 41.007 40.800 0.116 0.000 0.957 314 D HN 0.217 nan 8.370 nan 0.000 0.484 315 V N 0.683 120.338 119.914 -0.432 0.000 2.638 315 V HA 0.279 4.399 4.120 0.000 0.000 0.306 315 V C -1.325 174.482 176.094 -0.477 0.000 1.052 315 V CA -0.914 61.130 62.300 -0.427 0.000 0.885 315 V CB 1.836 33.271 31.823 -0.647 0.000 0.999 315 V HN -0.070 nan 8.190 nan 0.000 0.424 316 Y N 2.872 123.155 120.300 -0.027 0.000 2.341 316 Y HA 0.712 5.262 4.550 0.000 0.000 0.338 316 Y C -0.126 175.739 175.900 -0.059 0.000 0.965 316 Y CA -0.982 57.092 58.100 -0.043 0.000 1.108 316 Y CB 2.153 40.593 38.460 -0.034 0.000 1.180 316 Y HN 0.362 nan 8.280 nan 0.000 0.458 317 V N 5.468 125.345 119.914 -0.062 0.000 2.444 317 V HA 0.397 4.517 4.120 0.000 0.000 0.294 317 V C -0.473 175.493 176.094 -0.214 0.000 1.022 317 V CA -0.921 61.224 62.300 -0.258 0.000 0.850 317 V CB 1.607 33.051 31.823 -0.633 0.000 0.992 317 V HN 0.594 nan 8.190 nan 0.000 0.426 318 L N 5.121 126.219 121.223 -0.210 0.000 2.262 318 L HA 0.565 4.905 4.340 0.000 0.000 0.288 318 L C 0.402 177.178 176.870 -0.157 0.000 1.035 318 L CA -0.183 54.556 54.840 -0.169 0.000 0.820 318 L CB 1.507 43.451 42.059 -0.193 0.000 1.204 318 L HN 0.808 nan 8.230 nan 0.000 0.424 319 T N -1.591 112.904 114.554 -0.097 0.000 3.624 319 T HA 0.367 4.717 4.350 0.000 0.000 0.244 319 T C 0.661 175.369 174.700 0.012 0.000 1.063 319 T CA -0.135 61.947 62.100 -0.030 0.000 1.252 319 T CB 1.000 69.854 68.868 -0.023 0.000 1.021 319 T HN 0.541 nan 8.240 nan 0.000 0.590 320 A N 0.808 123.643 122.820 0.025 0.000 2.307 320 A HA 0.762 5.082 4.320 0.000 0.000 0.218 320 A C 1.411 179.069 177.584 0.124 0.000 1.228 320 A CA 0.102 52.174 52.037 0.059 0.000 0.857 320 A CB -0.808 18.223 19.000 0.051 0.000 0.897 320 A HN 1.704 nan 8.150 nan 0.000 0.495 321 G N -2.480 106.395 108.800 0.125 0.000 2.707 321 G HA2 0.246 4.206 3.960 0.000 0.000 0.686 321 G HA3 0.246 4.206 3.960 0.000 0.000 0.686 321 G C 0.777 175.786 174.900 0.181 0.000 1.315 321 G CA -0.297 44.891 45.100 0.146 0.000 0.832 321 G HN 1.285 nan 8.290 nan 0.000 0.573 322 A N -0.580 122.334 122.820 0.158 0.000 1.933 322 A HA 0.220 4.540 4.320 0.000 0.000 0.218 322 A C 2.648 180.325 177.584 0.154 0.000 1.175 322 A CA 3.197 55.322 52.037 0.146 0.000 0.628 322 A CB -0.353 18.702 19.000 0.092 0.000 0.814 322 A HN 1.578 nan 8.150 nan 0.000 0.444 323 V N -1.048 118.917 119.914 0.086 0.000 2.302 323 V HA -0.181 3.939 4.120 0.000 0.000 0.243 323 V C 2.221 178.287 176.094 -0.047 0.000 1.036 323 V CA 2.156 64.453 62.300 -0.005 0.000 1.020 323 V CB -0.958 30.762 31.823 -0.173 0.000 0.657 323 V HN 0.726 nan 8.190 nan 0.000 0.453 324 H N -0.316 118.834 119.070 0.134 0.000 2.512 324 H HA 0.009 4.565 4.556 0.000 0.000 0.279 324 H C 2.239 177.568 175.328 0.003 0.000 0.999 324 H CA 0.894 56.976 56.048 0.057 0.000 1.283 324 H CB 0.093 29.865 29.762 0.017 0.000 1.421 324 H HN 0.308 nan 8.280 nan 0.000 0.554 325 N N -0.181 118.587 118.700 0.113 0.000 2.084 325 N HA -0.118 4.622 4.740 0.000 0.000 0.190 325 N C 1.743 177.234 175.510 -0.032 0.000 1.030 325 N CA 1.735 54.783 53.050 -0.002 0.000 0.849 325 N CB -0.479 37.975 38.487 -0.053 0.000 1.012 325 N HN 0.315 nan 8.380 nan 0.000 0.423 326 T N 0.980 115.593 114.554 0.098 0.000 2.684 326 T HA -0.202 4.148 4.350 0.000 0.000 0.267 326 T C 1.855 176.427 174.700 -0.213 0.000 1.036 326 T CA 1.268 63.426 62.100 0.098 0.000 1.148 326 T CB -0.288 68.776 68.868 0.328 0.000 0.863 326 T HN 0.354 nan 8.240 nan 0.000 0.436 327 Q N 0.081 119.642 119.800 -0.399 0.000 2.061 327 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 327 Q C 2.323 178.058 176.000 -0.443 0.000 0.984 327 Q CA 1.240 56.506 55.803 -0.895 0.000 0.846 327 Q CB -0.273 28.218 28.738 -0.411 0.000 0.902 327 Q HN 0.338 nan 8.270 nan 0.000 0.421 328 L N 0.822 121.917 121.223 -0.213 0.000 2.012 328 L HA -0.169 4.171 4.340 0.000 0.000 0.210 328 L C 2.042 178.832 176.870 -0.133 0.000 1.073 328 L CA 1.626 56.382 54.840 -0.140 0.000 0.748 328 L CB -1.063 40.935 42.059 -0.101 0.000 0.891 328 L HN 0.358 nan 8.230 nan 0.000 0.431 329 L N -1.644 119.485 121.223 -0.156 0.000 2.017 329 L HA -0.216 4.124 4.340 0.000 0.000 0.208 329 L C 2.502 179.402 176.870 0.050 0.000 1.073 329 L CA 1.121 55.905 54.840 -0.094 0.000 0.745 329 L CB -0.686 41.233 42.059 -0.233 0.000 0.894 329 L HN 0.076 nan 8.230 nan 0.000 0.432 330 V N -0.029 119.842 119.914 -0.070 0.000 2.343 330 V HA -0.292 3.828 4.120 0.000 0.000 0.247 330 V C 2.150 178.213 176.094 -0.052 0.000 1.051 330 V CA 2.093 64.369 62.300 -0.040 0.000 1.036 330 V CB -0.723 31.030 31.823 -0.116 0.000 0.654 330 V HN 0.493 nan 8.190 nan 0.000 0.451 331 N N 0.118 118.746 118.700 -0.120 0.000 2.443 331 N HA -0.118 4.622 4.740 0.000 0.000 0.184 331 N C 1.544 177.025 175.510 -0.050 0.000 1.037 331 N CA 1.305 54.306 53.050 -0.083 0.000 0.896 331 N CB -0.082 38.344 38.487 -0.102 0.000 0.959 331 N HN 0.433 nan 8.380 nan 0.000 0.442 332 S N -1.645 114.051 115.700 -0.007 0.000 2.556 332 S HA 0.323 4.793 4.470 0.000 0.000 0.216 332 S C 1.106 175.666 174.600 -0.066 0.000 0.970 332 S CA 0.265 58.469 58.200 0.006 0.000 0.912 332 S CB 0.591 63.854 63.200 0.104 0.000 0.790 332 S HN 0.536 nan 8.310 nan 0.000 0.504 333 G N 1.083 109.846 108.800 -0.061 0.000 2.159 333 G HA2 -0.223 3.737 3.960 0.000 0.000 0.227 333 G HA3 -0.223 3.737 3.960 0.000 0.000 0.227 333 G C -0.087 174.666 174.900 -0.245 0.000 0.986 333 G CA -0.566 44.439 45.100 -0.158 0.000 0.651 333 G HN 0.412 nan 8.290 nan 0.000 0.523 334 F N 0.843 120.756 119.950 -0.061 0.000 2.371 334 F HA 0.562 5.089 4.527 0.000 0.000 0.329 334 F C 1.589 177.392 175.800 0.006 0.000 1.107 334 F CA 0.842 58.820 58.000 -0.037 0.000 1.137 334 F CB 0.944 39.893 39.000 -0.085 0.000 1.214 334 F HN 0.773 nan 8.300 nan 0.000 0.536 335 G N 1.711 110.647 108.800 0.226 0.000 2.574 335 G HA2 -0.285 3.675 3.960 0.000 0.000 0.282 335 G HA3 -0.285 3.675 3.960 0.000 0.000 0.282 335 G C -0.819 174.151 174.900 0.117 0.000 1.257 335 G CA -0.067 45.135 45.100 0.170 0.000 0.956 335 G HN 0.832 nan 8.290 nan 0.000 0.560 336 Q N -1.079 118.795 119.800 0.124 0.000 2.304 336 Q HA 0.622 4.962 4.340 0.000 0.000 0.270 336 Q C -0.908 175.172 176.000 0.133 0.000 1.035 336 Q CA -0.999 54.858 55.803 0.090 0.000 0.781 336 Q CB 1.716 30.487 28.738 0.054 0.000 1.261 336 Q HN 0.873 nan 8.270 nan 0.000 0.444 337 L N 3.664 124.952 121.223 0.110 0.000 2.350 337 L HA 0.787 5.127 4.340 0.000 0.000 0.275 337 L C 0.301 177.250 176.870 0.131 0.000 1.099 337 L CA 1.701 56.634 54.840 0.155 0.000 0.808 337 L CB 1.057 43.180 42.059 0.106 0.000 1.149 337 L HN 0.837 nan 8.230 nan 0.000 0.442 338 G N 3.630 112.565 108.800 0.225 0.000 2.728 338 G HA2 -0.219 3.741 3.960 0.000 0.000 0.294 338 G HA3 -0.219 3.741 3.960 0.000 0.000 0.294 338 G C -0.527 174.255 174.900 -0.196 0.000 1.342 338 G CA -0.163 45.029 45.100 0.154 0.000 0.866 338 G HN 0.944 nan 8.290 nan 0.000 0.534 339 R N 0.743 120.892 120.500 -0.584 0.000 2.522 339 R HA 0.367 4.707 4.340 0.000 0.000 0.284 339 R C -1.923 173.927 176.300 -0.750 0.000 1.032 339 R CA -0.768 54.529 56.100 -1.338 0.000 1.049 339 R CB 0.016 29.809 30.300 -0.846 0.000 0.956 339 R HN 0.325 nan 8.270 nan 0.000 0.422 340 P HA -0.104 nan 4.420 nan 0.000 0.260 340 P C -1.255 175.891 177.300 -0.257 0.000 1.172 340 P CA 0.713 63.575 63.100 -0.396 0.000 0.760 340 P CB 0.261 31.749 31.700 -0.354 0.000 0.773 341 N N 4.201 122.805 118.700 -0.160 0.000 2.664 341 N HA 0.176 4.916 4.740 0.000 0.000 0.257 341 N C -1.630 173.839 175.510 -0.069 0.000 1.108 341 N CA -1.992 50.992 53.050 -0.110 0.000 0.822 341 N CB 1.171 39.602 38.487 -0.093 0.000 1.199 341 N HN 0.158 nan 8.380 nan 0.000 0.529 342 P HA -0.159 nan 4.420 nan 0.000 0.218 342 P C 1.042 178.326 177.300 -0.027 0.000 1.148 342 P CA 0.902 63.980 63.100 -0.038 0.000 0.822 342 P CB 0.197 31.875 31.700 -0.037 0.000 0.784 343 A N -0.855 121.947 122.820 -0.031 0.000 2.234 343 A HA -0.129 4.191 4.320 0.000 0.000 0.216 343 A C 1.485 179.056 177.584 -0.021 0.000 1.167 343 A CA 0.997 53.020 52.037 -0.024 0.000 0.698 343 A CB -0.962 18.023 19.000 -0.026 0.000 0.779 343 A HN 0.182 nan 8.150 nan 0.000 0.475 344 N N 0.187 118.873 118.700 -0.023 0.000 2.765 344 N HA 0.193 4.933 4.740 0.000 0.000 0.277 344 N C -3.232 172.271 175.510 -0.012 0.000 1.750 344 N CA -1.094 51.945 53.050 -0.019 0.000 0.827 344 N CB 1.169 39.640 38.487 -0.028 0.000 1.200 344 N HN 0.143 nan 8.380 nan 0.000 0.494 345 P HA 0.240 nan 4.420 nan 0.000 0.271 345 P C -2.596 174.712 177.300 0.014 0.000 1.220 345 P CA -0.725 62.380 63.100 0.007 0.000 0.768 345 P CB 0.056 31.762 31.700 0.010 0.000 0.848 346 P HA 0.091 nan 4.420 nan 0.000 0.269 346 P C 1.094 178.413 177.300 0.032 0.000 1.209 346 P CA -0.025 63.095 63.100 0.034 0.000 0.776 346 P CB 0.608 32.344 31.700 0.061 0.000 0.876 347 E N 1.733 121.944 120.200 0.018 0.000 2.110 347 E HA -0.089 4.261 4.350 0.000 0.000 0.193 347 E C -0.143 176.481 176.600 0.041 0.000 0.988 347 E CA 0.882 57.291 56.400 0.014 0.000 0.804 347 E CB 0.070 29.763 29.700 -0.012 0.000 0.745 347 E HN 0.368 nan 8.360 nan 0.000 0.458 348 L N 0.674 121.932 121.223 0.059 0.000 2.401 348 L HA 0.295 4.635 4.340 0.000 0.000 0.266 348 L C -0.185 176.807 176.870 0.202 0.000 0.991 348 L CA -0.956 53.963 54.840 0.131 0.000 0.818 348 L CB 2.057 44.150 42.059 0.057 0.000 1.321 348 L HN 0.089 nan 8.230 nan 0.000 0.413 349 L N 2.944 124.313 121.223 0.243 0.000 3.795 349 L HA -0.180 4.160 4.340 0.000 0.000 0.489 349 L C -1.393 175.588 176.870 0.184 0.000 1.259 349 L CA -0.447 54.535 54.840 0.236 0.000 0.765 349 L CB -0.887 41.340 42.059 0.280 0.000 1.519 349 L HN 0.595 nan 8.230 nan 0.000 0.842 350 P HA -0.132 nan 4.420 nan 0.000 0.221 350 P C 1.223 178.617 177.300 0.157 0.000 1.145 350 P CA 1.155 64.330 63.100 0.126 0.000 0.795 350 P CB 0.290 32.046 31.700 0.094 0.000 0.775 351 S N -0.705 115.109 115.700 0.189 0.000 2.593 351 S HA 0.072 4.542 4.470 0.000 0.000 0.217 351 S C 0.801 175.560 174.600 0.266 0.000 0.966 351 S CA -0.415 57.946 58.200 0.269 0.000 0.914 351 S CB -0.639 62.713 63.200 0.254 0.000 0.776 351 S HN 0.065 nan 8.310 nan 0.000 0.523 352 L N 2.334 123.690 121.223 0.221 0.000 2.462 352 L HA 0.456 4.796 4.340 0.000 0.000 0.272 352 L C 1.144 178.155 176.870 0.235 0.000 1.166 352 L CA 1.128 56.101 54.840 0.222 0.000 0.880 352 L CB -0.313 41.865 42.059 0.197 0.000 1.142 352 L HN 0.329 nan 8.230 nan 0.000 0.473 353 G N 2.395 111.344 108.800 0.248 0.000 2.179 353 G HA2 -0.259 3.701 3.960 0.000 0.000 0.260 353 G HA3 -0.259 3.701 3.960 0.000 0.000 0.260 353 G C 0.396 175.421 174.900 0.208 0.000 0.977 353 G CA 0.305 45.551 45.100 0.243 0.000 0.641 353 G HN 0.829 nan 8.290 nan 0.000 0.533 354 S N -1.337 114.492 115.700 0.214 0.000 2.681 354 S HA 0.657 5.127 4.470 0.000 0.000 0.299 354 S C 0.355 175.101 174.600 0.244 0.000 1.113 354 S CA 0.119 58.386 58.200 0.112 0.000 1.013 354 S CB 0.954 64.130 63.200 -0.041 0.000 1.076 354 S HN 0.944 nan 8.310 nan 0.000 0.534 355 Y N -1.027 119.341 120.300 0.113 0.000 4.272 355 Y HA -0.195 4.355 4.550 0.000 0.000 0.232 355 Y C 0.511 176.491 175.900 0.135 0.000 1.149 355 Y CA 0.157 58.322 58.100 0.107 0.000 1.961 355 Y CB -2.165 36.354 38.460 0.098 0.000 1.611 355 Y HN 0.642 nan 8.280 nan 0.000 0.682 356 I N 0.291 121.007 120.570 0.243 0.000 2.692 356 I HA 0.425 4.595 4.170 0.000 0.000 0.284 356 I C 0.648 176.930 176.117 0.276 0.000 1.159 356 I CA 0.548 61.996 61.300 0.246 0.000 1.423 356 I CB 1.230 39.374 38.000 0.241 0.000 1.380 356 I HN 0.223 nan 8.210 nan 0.000 0.580 357 T N 2.125 116.807 114.554 0.214 0.000 2.863 357 T HA 0.665 5.015 4.350 0.000 0.000 0.285 357 T C -0.650 174.089 174.700 0.066 0.000 1.009 357 T CA -0.700 61.515 62.100 0.191 0.000 0.989 357 T CB 2.087 71.017 68.868 0.104 0.000 1.004 357 T HN 0.816 nan 8.240 nan 0.000 0.455 358 E N 1.312 121.533 120.200 0.035 0.000 2.314 358 E HA 0.342 4.692 4.350 0.000 0.000 0.272 358 E C -1.030 175.699 176.600 0.216 0.000 0.884 358 E CA -0.554 55.827 56.400 -0.032 0.000 0.753 358 E CB 1.989 31.452 29.700 -0.395 0.000 1.213 358 E HN 0.705 nan 8.360 nan 0.000 0.432 359 Q N 1.258 121.191 119.800 0.221 0.000 2.327 359 Q HA 0.389 4.729 4.340 0.000 0.000 0.254 359 Q C -0.414 175.802 176.000 0.360 0.000 0.952 359 Q CA -0.232 55.752 55.803 0.301 0.000 0.884 359 Q CB 1.137 30.089 28.738 0.357 0.000 1.224 359 Q HN 0.465 nan 8.270 nan 0.000 0.422 360 S N 1.696 117.526 115.700 0.217 0.000 2.564 360 S HA 0.285 4.755 4.470 0.000 0.000 0.278 360 S C -0.655 173.997 174.600 0.086 0.000 1.333 360 S CA -0.457 57.736 58.200 -0.011 0.000 1.048 360 S CB 0.360 63.458 63.200 -0.169 0.000 0.900 360 S HN 0.362 nan 8.310 nan 0.000 0.505 361 L N 5.128 126.369 121.223 0.031 0.000 2.376 361 L HA 0.688 5.028 4.340 0.000 0.000 0.275 361 L C -0.687 176.039 176.870 -0.241 0.000 0.987 361 L CA -0.685 54.077 54.840 -0.131 0.000 0.828 361 L CB 1.495 43.475 42.059 -0.132 0.000 1.249 361 L HN 0.469 nan 8.230 nan 0.000 0.409 362 V N 2.211 121.901 119.914 -0.373 0.000 2.769 362 V HA 0.758 4.878 4.120 0.000 0.000 0.312 362 V C -0.873 175.085 176.094 -0.226 0.000 1.058 362 V CA -0.672 61.334 62.300 -0.490 0.000 0.952 362 V CB 1.659 33.014 31.823 -0.779 0.000 1.019 362 V HN 0.817 nan 8.190 nan 0.000 0.445 363 F N 4.056 123.800 119.950 -0.344 0.000 2.619 363 F HA 0.865 5.392 4.527 0.000 0.000 0.308 363 F C -0.423 175.259 175.800 -0.197 0.000 1.097 363 F CA -0.172 57.709 58.000 -0.197 0.000 0.953 363 F CB 1.517 40.444 39.000 -0.122 0.000 1.287 363 F HN 1.210 nan 8.300 nan 0.000 0.446 364 C N 2.354 120.957 119.300 -1.161 0.000 3.320 364 C HA 0.803 5.263 4.460 0.000 0.000 0.335 364 C C -1.731 172.658 174.990 -1.002 0.000 1.430 364 C CA -0.740 57.580 59.018 -1.163 0.000 1.271 364 C CB 1.647 29.012 27.740 -0.626 0.000 1.609 364 C HN 0.986 nan 8.230 nan 0.000 0.457 365 Q N 0.528 120.003 119.800 -0.542 0.000 2.387 365 Q HA 0.772 5.112 4.340 0.000 0.000 0.273 365 Q C -0.560 175.460 176.000 0.032 0.000 1.089 365 Q CA -0.246 55.474 55.803 -0.138 0.000 0.824 365 Q CB 2.643 31.295 28.738 -0.144 0.000 1.367 365 Q HN 0.937 nan 8.270 nan 0.000 0.443 366 T N -2.546 112.101 114.554 0.155 0.000 2.924 366 T HA 0.700 5.050 4.350 0.000 0.000 0.291 366 T C -0.561 174.187 174.700 0.080 0.000 1.045 366 T CA -0.729 61.431 62.100 0.099 0.000 1.015 366 T CB 1.258 70.194 68.868 0.112 0.000 1.103 366 T HN 0.265 nan 8.240 nan 0.000 0.496 367 V N 2.835 122.763 119.914 0.024 0.000 2.384 367 V HA 0.419 4.539 4.120 0.000 0.000 0.287 367 V C 0.300 176.397 176.094 0.006 0.000 1.020 367 V CA -0.909 61.398 62.300 0.012 0.000 0.850 367 V CB 1.198 33.020 31.823 -0.003 0.000 0.987 367 V HN 1.022 nan 8.190 nan 0.000 0.436 368 M N 4.636 124.247 119.600 0.018 0.000 2.250 368 M HA 0.149 4.629 4.480 0.000 0.000 0.337 368 M C 0.858 177.159 176.300 0.001 0.000 1.161 368 M CA 0.681 55.994 55.300 0.022 0.000 1.088 368 M CB 0.759 33.372 32.600 0.021 0.000 1.639 368 M HN 0.920 nan 8.290 nan 0.000 0.447 369 S N 2.321 118.019 115.700 -0.002 0.000 2.579 369 S HA 0.095 4.565 4.470 0.000 0.000 0.275 369 S C 0.954 175.552 174.600 -0.003 0.000 1.345 369 S CA -0.126 58.065 58.200 -0.015 0.000 1.031 369 S CB 0.548 63.734 63.200 -0.023 0.000 0.892 369 S HN 0.802 nan 8.310 nan 0.000 0.529 370 T N 1.971 116.520 114.554 -0.008 0.000 2.720 370 T HA -0.141 4.209 4.350 0.000 0.000 0.268 370 T C 1.622 176.327 174.700 0.008 0.000 1.037 370 T CA 1.982 64.082 62.100 -0.000 0.000 1.144 370 T CB -0.508 68.358 68.868 -0.005 0.000 0.864 370 T HN 0.782 nan 8.240 nan 0.000 0.444 371 E N 0.589 120.790 120.200 0.002 0.000 2.077 371 E HA -0.070 4.280 4.350 0.000 0.000 0.193 371 E C 2.263 178.878 176.600 0.026 0.000 0.989 371 E CA 0.890 57.295 56.400 0.008 0.000 0.800 371 E CB -0.283 29.416 29.700 -0.003 0.000 0.746 371 E HN 0.414 nan 8.360 nan 0.000 0.452 372 L N 0.737 121.977 121.223 0.029 0.000 2.056 372 L HA -0.193 4.147 4.340 0.000 0.000 0.207 372 L C 2.410 179.319 176.870 0.065 0.000 1.078 372 L CA 0.527 55.399 54.840 0.055 0.000 0.749 372 L CB -0.277 41.814 42.059 0.053 0.000 0.901 372 L HN 0.203 nan 8.230 nan 0.000 0.433 373 I N -0.038 120.557 120.570 0.041 0.000 2.179 373 I HA -0.293 3.877 4.170 0.000 0.000 0.242 373 I C 2.201 178.349 176.117 0.051 0.000 1.088 373 I CA 1.521 62.842 61.300 0.035 0.000 1.357 373 I CB -1.192 36.818 38.000 0.017 0.000 1.051 373 I HN 0.289 nan 8.210 nan 0.000 0.409 374 D N 0.823 121.251 120.400 0.047 0.000 2.133 374 D HA -0.166 4.474 4.640 0.000 0.000 0.195 374 D C 2.362 178.709 176.300 0.079 0.000 0.997 374 D CA 1.813 55.844 54.000 0.053 0.000 0.840 374 D CB -0.219 40.603 40.800 0.036 0.000 0.947 374 D HN 0.389 nan 8.370 nan 0.000 0.452 375 S N 0.135 115.892 115.700 0.095 0.000 2.419 375 S HA -0.147 4.323 4.470 0.000 0.000 0.235 375 S C 2.159 176.911 174.600 0.254 0.000 1.019 375 S CA 1.026 59.315 58.200 0.149 0.000 0.982 375 S CB -0.592 62.693 63.200 0.141 0.000 0.789 375 S HN 0.111 nan 8.310 nan 0.000 0.490 376 V N 2.863 122.902 119.914 0.209 0.000 2.490 376 V HA -0.135 3.985 4.120 0.000 0.000 0.250 376 V C 2.186 178.421 176.094 0.235 0.000 1.061 376 V CA 2.070 64.524 62.300 0.257 0.000 1.064 376 V CB -0.841 31.044 31.823 0.104 0.000 0.670 376 V HN 0.841 nan 8.190 nan 0.000 0.461 377 K N 0.121 120.612 120.400 0.153 0.000 2.514 377 K HA 0.180 4.500 4.320 0.000 0.000 0.207 377 K C 1.522 178.179 176.600 0.095 0.000 1.035 377 K CA 0.648 57.005 56.287 0.116 0.000 1.113 377 K CB 0.265 32.818 32.500 0.089 0.000 0.846 377 K HN 0.400 nan 8.250 nan 0.000 0.491 378 S N 0.716 116.484 115.700 0.113 0.000 2.419 378 S HA -0.151 4.319 4.470 0.000 0.000 0.233 378 S C 0.945 175.556 174.600 0.018 0.000 1.016 378 S CA 1.243 59.473 58.200 0.051 0.000 0.974 378 S CB -0.229 62.978 63.200 0.013 0.000 0.786 378 S HN 0.314 nan 8.310 nan 0.000 0.492 379 D N 0.612 121.030 120.400 0.030 0.000 2.339 379 D HA 0.247 4.887 4.640 0.000 0.000 0.217 379 D C 0.076 176.406 176.300 0.050 0.000 1.050 379 D CA 0.242 54.244 54.000 0.004 0.000 0.856 379 D CB 0.002 40.777 40.800 -0.041 0.000 0.922 379 D HN 0.350 nan 8.370 nan 0.000 0.518 380 M N 0.487 120.119 119.600 0.053 0.000 2.249 380 M HA 0.225 4.705 4.480 0.000 0.000 0.351 380 M C 0.245 176.571 176.300 0.043 0.000 1.180 380 M CA 0.046 55.388 55.300 0.069 0.000 1.127 380 M CB 1.137 33.772 32.600 0.059 0.000 1.546 380 M HN -0.320 nan 8.290 nan 0.000 0.461 381 T N 4.513 119.088 114.554 0.034 0.000 2.771 381 T HA 0.677 5.027 4.350 0.000 0.000 0.281 381 T C 0.083 174.758 174.700 -0.042 0.000 0.982 381 T CA -0.396 61.703 62.100 -0.001 0.000 0.978 381 T CB 0.790 69.655 68.868 -0.006 0.000 0.930 381 T HN 0.434 nan 8.240 nan 0.000 0.447 382 I N 3.798 124.339 120.570 -0.049 0.000 2.406 382 I HA 0.503 4.673 4.170 0.000 0.000 0.290 382 I C 0.257 176.319 176.117 -0.092 0.000 0.999 382 I CA -0.782 60.453 61.300 -0.108 0.000 1.124 382 I CB 1.475 39.450 38.000 -0.041 0.000 1.289 382 I HN 0.318 nan 8.210 nan 0.000 0.441 383 R N 3.816 124.215 120.500 -0.167 0.000 2.686 383 R HA 0.757 5.097 4.340 0.000 0.000 0.283 383 R C -0.153 176.119 176.300 -0.047 0.000 0.978 383 R CA -0.601 55.451 56.100 -0.081 0.000 0.897 383 R CB 2.405 32.661 30.300 -0.073 0.000 1.192 383 R HN 0.907 nan 8.270 nan 0.000 0.457 384 G N 0.778 109.620 108.800 0.070 0.000 2.610 384 G HA2 -0.212 3.748 3.960 0.000 0.000 0.304 384 G HA3 -0.212 3.748 3.960 0.000 0.000 0.304 384 G C -1.015 174.047 174.900 0.270 0.000 1.309 384 G CA -0.736 44.457 45.100 0.154 0.000 0.906 384 G HN 0.552 nan 8.290 nan 0.000 0.521 385 T N 0.935 115.628 114.554 0.231 0.000 2.807 385 T HA 0.663 5.013 4.350 0.000 0.000 0.279 385 T C -2.771 171.897 174.700 -0.053 0.000 0.993 385 T CA -1.257 60.913 62.100 0.117 0.000 0.970 385 T CB 2.151 71.043 68.868 0.040 0.000 0.950 385 T HN 0.516 nan 8.240 nan 0.000 0.441 386 P HA 0.160 nan 4.420 nan 0.000 0.261 386 P C 1.171 178.247 177.300 -0.373 0.000 1.165 386 P CA 1.313 63.906 63.100 -0.845 0.000 0.759 386 P CB 0.051 31.386 31.700 -0.609 0.000 0.772 387 G N 0.929 109.539 108.800 -0.316 0.000 2.143 387 G HA2 -0.185 3.775 3.960 0.000 0.000 0.249 387 G HA3 -0.185 3.775 3.960 0.000 0.000 0.249 387 G C 0.006 174.870 174.900 -0.059 0.000 0.981 387 G CA -0.213 44.806 45.100 -0.134 0.000 0.665 387 G HN 0.525 nan 8.290 nan 0.000 0.528 388 E N -0.888 119.294 120.200 -0.029 0.000 2.281 388 E HA 0.574 4.924 4.350 0.000 0.000 0.262 388 E C 1.476 178.114 176.600 0.062 0.000 0.933 388 E CA -0.944 55.468 56.400 0.020 0.000 0.809 388 E CB 0.913 30.629 29.700 0.028 0.000 1.242 388 E HN 0.071 nan 8.360 nan 0.000 0.418 389 L N 0.398 121.651 121.223 0.049 0.000 2.291 389 L HA -0.118 4.222 4.340 0.000 0.000 0.214 389 L C 2.134 179.042 176.870 0.064 0.000 1.120 389 L CA 1.544 56.414 54.840 0.050 0.000 0.799 389 L CB -0.591 41.486 42.059 0.030 0.000 0.925 389 L HN 0.590 nan 8.230 nan 0.000 0.446 390 T N -3.899 110.699 114.554 0.073 0.000 3.085 390 T HA -0.177 4.173 4.350 0.000 0.000 0.263 390 T C 0.663 175.427 174.700 0.107 0.000 1.127 390 T CA 0.013 62.156 62.100 0.071 0.000 1.103 390 T CB -0.439 68.466 68.868 0.061 0.000 0.921 390 T HN 0.117 nan 8.240 nan 0.000 0.510 391 Y N 3.651 123.951 120.300 -0.001 0.000 2.544 391 Y HA 0.394 4.944 4.550 0.000 0.000 0.330 391 Y C 0.284 176.185 175.900 0.000 0.000 1.136 391 Y CA -0.641 57.459 58.100 -0.000 0.000 1.417 391 Y CB 0.353 38.812 38.460 -0.003 0.000 1.229 391 Y HN 0.328 nan 8.280 nan 0.000 0.532 392 S N 4.988 120.418 115.700 -0.449 0.000 2.548 392 S HA 0.775 5.245 4.470 0.000 0.000 0.276 392 S C -1.895 172.417 174.600 -0.480 0.000 1.129 392 S CA -0.886 57.105 58.200 -0.349 0.000 0.931 392 S CB 1.313 64.420 63.200 -0.154 0.000 1.068 392 S HN 0.430 nan 8.310 nan 0.000 0.480 393 V N 3.120 122.842 119.914 -0.321 0.000 2.444 393 V HA 0.821 4.941 4.120 0.000 0.000 0.294 393 V C 0.130 176.195 176.094 -0.048 0.000 1.022 393 V CA -0.194 61.993 62.300 -0.188 0.000 0.850 393 V CB 1.238 32.987 31.823 -0.124 0.000 0.992 393 V HN 1.183 nan 8.190 nan 0.000 0.426 394 T N 1.807 116.358 114.554 -0.006 0.000 2.896 394 T HA 0.870 5.220 4.350 0.000 0.000 0.297 394 T C -1.016 173.766 174.700 0.137 0.000 1.108 394 T CA -0.706 61.416 62.100 0.036 0.000 1.004 394 T CB 2.347 71.191 68.868 -0.040 0.000 1.159 394 T HN 0.873 nan 8.240 nan 0.000 0.499 395 Y N -1.523 118.767 120.300 -0.017 0.000 2.677 395 Y HA 0.807 5.357 4.550 0.000 0.000 0.334 395 Y C -1.034 174.858 175.900 -0.014 0.000 1.154 395 Y CA -1.282 56.810 58.100 -0.014 0.000 1.070 395 Y CB 1.010 39.468 38.460 -0.002 0.000 1.294 395 Y HN 0.642 nan 8.280 nan 0.000 0.475 396 T N 3.735 118.291 114.554 0.002 0.000 2.821 396 T HA 0.432 4.782 4.350 0.000 0.000 0.307 396 T C -2.877 171.827 174.700 0.007 0.000 1.034 396 T CA -1.371 60.672 62.100 -0.094 0.000 0.953 396 T CB 0.919 69.773 68.868 -0.024 0.000 0.968 396 T HN 0.355 nan 8.240 nan 0.000 0.462 397 P HA 0.250 nan 4.420 nan 0.000 0.268 397 P C 1.101 178.438 177.300 0.063 0.000 1.205 397 P CA 0.603 63.756 63.100 0.089 0.000 0.771 397 P CB 0.411 32.124 31.700 0.022 0.000 0.858 398 G N 1.651 110.501 108.800 0.084 0.000 2.166 398 G HA2 -0.229 3.731 3.960 0.000 0.000 0.260 398 G HA3 -0.229 3.731 3.960 0.000 0.000 0.260 398 G C 0.485 175.394 174.900 0.015 0.000 0.986 398 G CA 0.082 45.205 45.100 0.038 0.000 0.683 398 G HN 0.857 nan 8.290 nan 0.000 0.527 399 A N 0.369 123.201 122.820 0.020 0.000 2.462 399 A HA 0.655 4.975 4.320 0.000 0.000 0.243 399 A C 1.798 179.370 177.584 -0.020 0.000 1.076 399 A CA 1.201 53.237 52.037 -0.001 0.000 0.773 399 A CB 0.337 19.339 19.000 0.004 0.000 1.010 399 A HN 1.720 nan 8.150 nan 0.000 0.493 400 S N 1.172 116.857 115.700 -0.025 0.000 2.442 400 S HA -0.163 4.307 4.470 0.000 0.000 0.236 400 S C 1.392 175.960 174.600 -0.054 0.000 1.007 400 S CA 1.728 59.906 58.200 -0.037 0.000 0.965 400 S CB -0.871 62.311 63.200 -0.030 0.000 0.773 400 S HN 1.176 nan 8.310 nan 0.000 0.504 401 T N -0.935 113.588 114.554 -0.051 0.000 3.100 401 T HA 0.200 4.550 4.350 0.000 0.000 0.253 401 T C 0.426 175.068 174.700 -0.097 0.000 1.118 401 T CA -0.422 61.638 62.100 -0.067 0.000 1.058 401 T CB -0.590 68.248 68.868 -0.051 0.000 0.953 401 T HN 0.217 nan 8.240 nan 0.000 0.515 402 N N 2.450 121.091 118.700 -0.098 0.000 2.454 402 N HA 0.150 4.890 4.740 0.000 0.000 0.254 402 N C 0.946 176.298 175.510 -0.264 0.000 1.228 402 N CA -0.177 52.782 53.050 -0.151 0.000 0.900 402 N CB 0.832 39.253 38.487 -0.110 0.000 1.089 402 N HN 0.161 nan 8.380 nan 0.000 0.449 403 K N 1.084 121.219 120.400 -0.442 0.000 2.379 403 K HA 0.092 4.412 4.320 0.000 0.000 0.194 403 K C -0.002 176.013 176.600 -0.975 0.000 1.031 403 K CA 0.638 56.512 56.287 -0.689 0.000 1.037 403 K CB 0.172 32.140 32.500 -0.888 0.000 0.824 403 K HN 0.552 nan 8.250 nan 0.000 0.516 404 H N 0.072 118.807 119.070 -0.559 0.000 2.797 404 H HA 0.367 4.923 4.556 0.000 0.000 0.372 404 H C -2.404 172.571 175.328 -0.588 0.000 1.168 404 H CA -2.455 53.084 56.048 -0.848 0.000 1.163 404 H CB 1.511 30.328 29.762 -1.574 0.000 1.778 404 H HN -0.191 nan 8.280 nan 0.000 0.551 405 P HA 0.028 nan 4.420 nan 0.000 0.272 405 P C 0.449 177.544 177.300 -0.342 0.000 1.230 405 P CA -0.240 62.648 63.100 -0.354 0.000 0.788 405 P CB 1.125 32.584 31.700 -0.403 0.000 0.949 406 D N 0.527 120.862 120.400 -0.108 0.000 2.133 406 D HA -0.173 4.467 4.640 0.000 0.000 0.195 406 D C 1.871 178.191 176.300 0.034 0.000 0.997 406 D CA 1.375 55.393 54.000 0.029 0.000 0.840 406 D CB -0.506 40.398 40.800 0.173 0.000 0.947 406 D HN 0.625 nan 8.370 nan 0.000 0.452 407 W N 0.172 121.549 121.300 0.129 0.000 2.374 407 W HA -0.148 4.512 4.660 -0.000 0.000 0.288 407 W C 1.981 178.581 176.519 0.135 0.000 1.218 407 W CA 0.203 57.620 57.345 0.120 0.000 1.245 407 W CB -1.291 28.232 29.460 0.105 0.000 1.126 407 W HN 0.069 nan 8.180 nan 0.000 0.545 408 W N 3.437 124.267 121.300 -0.782 0.000 2.408 408 W HA -0.141 4.519 4.660 0.000 0.000 0.311 408 W C 1.938 178.192 176.519 -0.442 0.000 1.190 408 W CA 1.623 58.486 57.345 -0.803 0.000 1.321 408 W CB -1.092 27.624 29.460 -1.240 0.000 1.143 408 W HN -0.134 nan 8.180 nan 0.000 0.501 409 N N 1.081 119.725 118.700 -0.092 0.000 2.149 409 N HA -0.214 4.526 4.740 0.000 0.000 0.188 409 N C 1.501 176.697 175.510 -0.524 0.000 1.019 409 N CA 1.975 54.760 53.050 -0.442 0.000 0.857 409 N CB -0.640 37.216 38.487 -1.051 0.000 0.997 409 N HN 0.246 nan 8.380 nan 0.000 0.426 410 E N 1.493 121.547 120.200 -0.243 0.000 2.051 410 E HA -0.094 4.256 4.350 0.000 0.000 0.192 410 E C 1.629 178.286 176.600 0.093 0.000 0.991 410 E CA 1.369 57.829 56.400 0.100 0.000 0.799 410 E CB 0.039 29.873 29.700 0.223 0.000 0.748 410 E HN 0.262 nan 8.360 nan 0.000 0.449 411 K N -0.351 120.093 120.400 0.073 0.000 2.057 411 K HA -0.091 4.229 4.320 0.000 0.000 0.207 411 K C 2.167 178.784 176.600 0.028 0.000 1.049 411 K CA 1.394 57.717 56.287 0.060 0.000 0.931 411 K CB -0.204 32.328 32.500 0.054 0.000 0.714 411 K HN 0.054 nan 8.250 nan 0.000 0.440 412 V N 2.260 122.161 119.914 -0.022 0.000 2.295 412 V HA -0.277 3.843 4.120 0.000 0.000 0.246 412 V C 2.470 178.611 176.094 0.079 0.000 1.049 412 V CA 1.772 64.076 62.300 0.006 0.000 1.024 412 V CB -0.477 31.349 31.823 0.005 0.000 0.648 412 V HN 0.370 nan 8.190 nan 0.000 0.447 413 K N 0.219 120.660 120.400 0.068 0.000 2.032 413 K HA -0.242 4.078 4.320 0.000 0.000 0.209 413 K C 1.995 178.662 176.600 0.112 0.000 1.048 413 K CA 2.019 58.377 56.287 0.119 0.000 0.927 413 K CB -0.258 32.381 32.500 0.232 0.000 0.712 413 K HN 0.430 nan 8.250 nan 0.000 0.441 414 N N 0.358 119.129 118.700 0.119 0.000 2.188 414 N HA -0.168 4.572 4.740 0.000 0.000 0.184 414 N C 1.775 177.348 175.510 0.105 0.000 1.018 414 N CA 1.297 54.408 53.050 0.102 0.000 0.858 414 N CB -0.581 37.971 38.487 0.109 0.000 0.989 414 N HN 0.445 nan 8.380 nan 0.000 0.426 415 H N 0.630 119.730 119.070 0.049 0.000 2.321 415 H HA 0.089 4.645 4.556 0.000 0.000 0.300 415 H C 2.050 177.425 175.328 0.079 0.000 1.087 415 H CA 1.744 57.829 56.048 0.063 0.000 1.319 415 H CB -0.067 29.651 29.762 -0.073 0.000 1.379 415 H HN 0.093 nan 8.280 nan 0.000 0.501 416 M N -0.844 118.754 119.600 -0.003 0.000 2.175 416 M HA -0.131 4.349 4.480 0.000 0.000 0.264 416 M C 2.057 178.402 176.300 0.076 0.000 1.063 416 M CA 1.141 56.444 55.300 0.006 0.000 1.119 416 M CB 0.025 32.703 32.600 0.129 0.000 1.377 416 M HN 0.365 nan 8.290 nan 0.000 0.415 417 M N -0.313 119.324 119.600 0.061 0.000 2.288 417 M HA -0.132 4.348 4.480 0.000 0.000 0.266 417 M C 1.795 178.093 176.300 -0.003 0.000 1.072 417 M CA 1.682 57.032 55.300 0.083 0.000 1.132 417 M CB -0.574 32.053 32.600 0.045 0.000 1.386 417 M HN 0.342 nan 8.290 nan 0.000 0.432 418 Q N -1.187 118.534 119.800 -0.130 0.000 2.398 418 Q HA -0.026 4.314 4.340 0.000 0.000 0.204 418 Q C -0.066 175.589 176.000 -0.576 0.000 0.932 418 Q CA 0.632 56.236 55.803 -0.332 0.000 0.916 418 Q CB 0.483 28.987 28.738 -0.390 0.000 1.024 418 Q HN 0.503 nan 8.270 nan 0.000 0.504 419 H N 0.235 119.223 119.070 -0.137 0.000 2.380 419 H HA 0.197 4.753 4.556 0.000 0.000 0.231 419 H C 0.049 175.281 175.328 -0.160 0.000 1.415 419 H CA -0.084 55.884 56.048 -0.133 0.000 1.433 419 H CB 0.577 30.210 29.762 -0.215 0.000 1.544 419 H HN 0.242 nan 8.280 nan 0.000 0.503 420 Q N 0.623 120.394 119.800 -0.049 0.000 2.369 420 Q HA -0.099 4.241 4.340 0.000 0.000 0.206 420 Q C 1.790 177.711 176.000 -0.132 0.000 0.963 420 Q CA 0.774 56.487 55.803 -0.151 0.000 0.894 420 Q CB 0.473 29.052 28.738 -0.264 0.000 0.965 420 Q HN 0.520 nan 8.270 nan 0.000 0.475 421 E N 1.277 121.455 120.200 -0.035 0.000 2.358 421 E HA -0.111 4.239 4.350 0.000 0.000 0.195 421 E C -0.281 176.340 176.600 0.036 0.000 1.010 421 E CA 0.532 56.930 56.400 -0.005 0.000 0.856 421 E CB -0.052 29.668 29.700 0.032 0.000 0.795 421 E HN 0.172 nan 8.360 nan 0.000 0.504 422 D N 2.155 122.593 120.400 0.063 0.000 2.264 422 D HA 0.107 4.747 4.640 0.000 0.000 0.250 422 D C -1.504 174.845 176.300 0.082 0.000 1.113 422 D CA -2.012 52.059 54.000 0.117 0.000 0.871 422 D CB 1.531 42.444 40.800 0.189 0.000 1.167 422 D HN -0.153 nan 8.370 nan 0.000 0.447 423 P HA 0.085 nan 4.420 nan 0.000 0.249 423 P C -0.238 177.104 177.300 0.069 0.000 1.229 423 P CA 0.211 63.348 63.100 0.061 0.000 0.788 423 P CB 0.372 32.100 31.700 0.046 0.000 1.072 424 L N 1.635 122.912 121.223 0.091 0.000 2.331 424 L HA 0.383 4.723 4.340 0.000 0.000 0.275 424 L C -1.411 175.503 176.870 0.073 0.000 1.022 424 L CA -2.280 52.589 54.840 0.047 0.000 0.812 424 L CB 2.350 44.405 42.059 -0.007 0.000 1.257 424 L HN -0.311 nan 8.230 nan 0.000 0.435 425 P HA 0.097 nan 4.420 nan 0.000 0.255 425 P C 0.212 177.402 177.300 -0.183 0.000 1.248 425 P CA 0.512 63.627 63.100 0.026 0.000 0.807 425 P CB 0.430 32.147 31.700 0.028 0.000 1.150 426 I N 2.222 122.585 120.570 -0.345 0.000 2.371 426 I HA 0.220 4.390 4.170 0.000 0.000 0.290 426 I C -2.144 173.486 176.117 -0.811 0.000 1.028 426 I CA -2.739 58.293 61.300 -0.446 0.000 1.345 426 I CB 0.823 38.644 38.000 -0.299 0.000 1.407 426 I HN -0.243 nan 8.210 nan 0.000 0.501 427 P HA 0.005 nan 4.420 nan 0.000 0.267 427 P C 0.287 177.328 177.300 -0.432 0.000 1.200 427 P CA 0.008 62.723 63.100 -0.642 0.000 0.772 427 P CB 0.362 31.928 31.700 -0.224 0.000 0.855 428 F N 0.686 120.517 119.950 -0.198 0.000 2.216 428 F HA -0.117 4.410 4.527 0.000 0.000 0.300 428 F C 1.703 177.460 175.800 -0.072 0.000 1.085 428 F CA 1.557 59.483 58.000 -0.123 0.000 1.326 428 F CB -0.848 38.095 39.000 -0.094 0.000 1.027 428 F HN 0.400 nan 8.300 nan 0.000 0.497 429 E N -0.449 119.829 120.200 0.130 0.000 2.465 429 E HA 0.003 4.353 4.350 0.000 0.000 0.195 429 E C -0.216 176.401 176.600 0.029 0.000 1.028 429 E CA -0.191 56.258 56.400 0.081 0.000 0.899 429 E CB -0.195 29.554 29.700 0.083 0.000 1.032 429 E HN 0.193 nan 8.360 nan 0.000 0.468 430 D N 2.729 123.122 120.400 -0.011 0.000 2.434 430 D HA 0.029 4.669 4.640 0.000 0.000 0.252 430 D C -2.273 174.035 176.300 0.014 0.000 1.185 430 D CA -1.531 52.449 54.000 -0.033 0.000 0.886 430 D CB 0.788 41.528 40.800 -0.101 0.000 1.148 430 D HN -0.133 nan 8.370 nan 0.000 0.483 431 P HA 0.062 nan 4.420 nan 0.000 0.271 431 P C -0.404 177.002 177.300 0.178 0.000 1.233 431 P CA -0.397 62.784 63.100 0.136 0.000 0.789 431 P CB 0.355 32.138 31.700 0.137 0.000 0.951 432 E N 1.908 122.238 120.200 0.217 0.000 2.408 432 E HA 0.137 4.487 4.350 0.000 0.000 0.259 432 E C -2.413 174.236 176.600 0.081 0.000 1.110 432 E CA -1.821 54.644 56.400 0.107 0.000 0.929 432 E CB -0.927 28.800 29.700 0.044 0.000 0.971 432 E HN 0.231 nan 8.360 nan 0.000 0.438 433 P HA 0.046 nan 4.420 nan 0.000 0.269 433 P C -0.460 176.834 177.300 -0.011 0.000 1.209 433 P CA 0.086 63.248 63.100 0.103 0.000 0.776 433 P CB 0.410 32.120 31.700 0.017 0.000 0.876 434 Q N 1.078 120.957 119.800 0.132 0.000 3.394 434 Q HA 0.301 4.641 4.340 0.000 0.000 0.285 434 Q C -1.006 175.062 176.000 0.114 0.000 0.866 434 Q CA -0.334 55.416 55.803 -0.089 0.000 0.844 434 Q CB 1.204 29.603 28.738 -0.564 0.000 1.472 434 Q HN 0.192 nan 8.270 nan 0.000 0.401 435 V N 0.528 120.475 119.914 0.056 0.000 2.547 435 V HA 0.739 4.859 4.120 0.000 0.000 0.299 435 V C 0.188 176.287 176.094 0.009 0.000 1.040 435 V CA -0.408 61.929 62.300 0.062 0.000 0.913 435 V CB 2.043 33.852 31.823 -0.024 0.000 0.992 435 V HN 0.427 nan 8.190 nan 0.000 0.449 436 T N 1.707 116.301 114.554 0.066 0.000 2.923 436 T HA 0.475 4.825 4.350 0.000 0.000 0.311 436 T C -0.953 173.681 174.700 -0.111 0.000 1.183 436 T CA -0.314 61.768 62.100 -0.031 0.000 1.020 436 T CB 1.873 70.710 68.868 -0.051 0.000 1.165 436 T HN 0.831 nan 8.240 nan 0.000 0.482 437 T N 4.596 118.927 114.554 -0.372 0.000 2.772 437 T HA 0.608 4.958 4.350 0.000 0.000 0.288 437 T C -0.118 174.435 174.700 -0.245 0.000 0.994 437 T CA -0.600 61.131 62.100 -0.616 0.000 0.951 437 T CB -0.122 67.941 68.868 -1.342 0.000 0.933 437 T HN 0.512 nan 8.240 nan 0.000 0.447 438 L N 4.505 125.666 121.223 -0.102 0.000 2.452 438 L HA 0.395 4.736 4.340 0.000 0.000 0.267 438 L C 0.736 177.614 176.870 0.014 0.000 1.188 438 L CA -0.921 53.943 54.840 0.041 0.000 0.821 438 L CB 0.243 42.320 42.059 0.030 0.000 1.102 438 L HN 0.628 nan 8.230 nan 0.000 0.470 439 F N 2.924 122.805 119.950 -0.115 0.000 2.604 439 F HA -0.089 4.438 4.527 0.000 0.000 0.390 439 F C 0.324 175.862 175.800 -0.437 0.000 1.053 439 F CA 0.685 58.515 58.000 -0.284 0.000 1.256 439 F CB 0.137 39.025 39.000 -0.187 0.000 0.996 439 F HN 0.401 nan 8.300 nan 0.000 0.564 440 Q N 6.317 125.631 119.800 -0.809 0.000 2.501 440 Q HA 0.254 4.594 4.340 0.000 0.000 0.288 440 Q C -2.037 173.540 176.000 -0.704 0.000 1.051 440 Q CA -1.727 53.705 55.803 -0.617 0.000 0.788 440 Q CB 1.343 29.595 28.738 -0.811 0.000 1.469 440 Q HN 0.228 nan 8.270 nan 0.000 0.416 441 P HA -0.195 nan 4.420 nan 0.000 0.216 441 P C 1.214 178.308 177.300 -0.345 0.000 1.150 441 P CA 2.062 64.999 63.100 -0.273 0.000 0.843 441 P CB 0.218 31.846 31.700 -0.120 0.000 0.787 442 S N -1.393 114.108 115.700 -0.332 0.000 2.522 442 S HA -0.109 4.361 4.470 0.000 0.000 0.227 442 S C 0.531 174.960 174.600 -0.285 0.000 0.986 442 S CA 0.243 58.319 58.200 -0.207 0.000 0.929 442 S CB -1.265 61.913 63.200 -0.037 0.000 0.769 442 S HN 0.439 nan 8.310 nan 0.000 0.529 443 H N -1.369 117.263 119.070 -0.731 0.000 2.562 443 H HA 0.455 5.011 4.556 0.000 0.000 0.230 443 H C -3.234 170.940 175.328 -1.923 0.000 1.415 443 H CA -1.666 53.562 56.048 -1.366 0.000 1.454 443 H CB 0.413 29.677 29.762 -0.830 0.000 1.716 443 H HN 0.086 nan 8.280 nan 0.000 0.538 444 P HA 0.092 nan 4.420 nan 0.000 0.225 444 P C -1.278 175.326 177.300 -1.160 0.000 1.813 444 P CA 0.173 62.093 63.100 -1.967 0.000 1.013 444 P CB -1.019 30.116 31.700 -0.941 0.000 1.961 445 W N -0.051 120.876 121.300 -0.622 0.000 3.296 445 W HA 0.493 5.153 4.660 0.000 0.000 0.314 445 W C -0.879 175.714 176.519 0.125 0.000 1.238 445 W CA -1.250 56.098 57.345 0.005 0.000 1.193 445 W CB 0.031 29.530 29.460 0.065 0.000 1.383 445 W HN 0.013 nan 8.180 nan 0.000 0.545 446 H N 1.284 120.618 119.070 0.441 0.000 2.551 446 H HA 0.683 5.239 4.556 0.000 0.000 0.358 446 H C -0.124 175.350 175.328 0.244 0.000 1.151 446 H CA 0.661 56.875 56.048 0.277 0.000 1.374 446 H CB 1.415 31.314 29.762 0.228 0.000 1.473 446 H HN 0.575 nan 8.280 nan 0.000 0.574 447 T N 2.087 116.262 114.554 -0.631 0.000 2.916 447 T HA 0.476 4.826 4.350 0.000 0.000 0.298 447 T C -0.842 173.536 174.700 -0.536 0.000 1.031 447 T CA -1.118 60.633 62.100 -0.582 0.000 0.993 447 T CB 1.551 69.959 68.868 -0.767 0.000 1.045 447 T HN 0.661 nan 8.240 nan 0.000 0.454 448 Q N 2.067 121.733 119.800 -0.224 0.000 2.304 448 Q HA 0.575 4.915 4.340 0.000 0.000 0.270 448 Q C -1.192 174.664 176.000 -0.240 0.000 1.035 448 Q CA -0.679 54.925 55.803 -0.333 0.000 0.781 448 Q CB 2.669 31.110 28.738 -0.495 0.000 1.261 448 Q HN 0.722 nan 8.270 nan 0.000 0.444 449 I N 3.796 124.201 120.570 -0.274 0.000 2.521 449 I HA 0.356 4.526 4.170 0.000 0.000 0.277 449 I C -0.428 175.573 176.117 -0.193 0.000 1.054 449 I CA -0.248 60.786 61.300 -0.443 0.000 1.117 449 I CB 0.496 38.122 38.000 -0.623 0.000 1.217 449 I HN 0.770 nan 8.210 nan 0.000 0.469 450 H N 3.849 122.732 119.070 -0.311 0.000 3.150 450 H HA 0.653 5.209 4.556 0.000 0.000 0.270 450 H C -1.227 174.029 175.328 -0.120 0.000 1.573 450 H CA -1.327 54.613 56.048 -0.180 0.000 1.195 450 H CB 1.398 31.077 29.762 -0.138 0.000 1.874 450 H HN 0.106 nan 8.280 nan 0.000 0.691 451 R N 1.296 121.618 120.500 -0.296 0.000 2.574 451 R HA 0.281 4.621 4.340 0.000 0.000 0.288 451 R C -1.570 174.490 176.300 -0.399 0.000 1.004 451 R CA -0.570 55.344 56.100 -0.310 0.000 0.895 451 R CB 1.847 32.093 30.300 -0.090 0.000 1.191 451 R HN 0.930 nan 8.270 nan 0.000 0.444 452 D N 0.433 120.616 120.400 -0.362 0.000 2.566 452 D HA 0.451 5.091 4.640 0.000 0.000 0.254 452 D C -0.594 175.702 176.300 -0.007 0.000 1.090 452 D CA -0.773 53.117 54.000 -0.183 0.000 1.034 452 D CB 1.001 41.699 40.800 -0.170 0.000 1.434 452 D HN 0.394 nan 8.370 nan 0.000 0.509 453 A N 0.037 122.874 122.820 0.028 0.000 2.567 453 A HA 0.373 4.693 4.320 0.000 0.000 0.240 453 A C -0.755 176.903 177.584 0.124 0.000 1.053 453 A CA 0.211 52.312 52.037 0.107 0.000 0.755 453 A CB -0.779 18.315 19.000 0.157 0.000 0.978 453 A HN 0.477 nan 8.150 nan 0.000 0.507 454 F N 1.889 121.803 119.950 -0.059 0.000 2.601 454 F HA 0.507 5.034 4.527 0.000 0.000 0.309 454 F C 0.246 175.885 175.800 -0.268 0.000 1.089 454 F CA -0.288 57.559 58.000 -0.255 0.000 0.940 454 F CB 2.062 40.774 39.000 -0.481 0.000 1.273 454 F HN 0.452 nan 8.300 nan 0.000 0.450 455 S N 4.915 120.142 115.700 -0.788 0.000 2.464 455 S HA 0.400 4.870 4.470 0.000 0.000 0.313 455 S C -1.228 173.161 174.600 -0.352 0.000 1.078 455 S CA -0.270 57.682 58.200 -0.414 0.000 1.096 455 S CB -0.464 62.509 63.200 -0.379 0.000 1.032 455 S HN 0.470 nan 8.310 nan 0.000 0.498 456 Y N 3.030 123.437 120.300 0.177 0.000 2.402 456 Y HA 0.398 4.948 4.550 0.000 0.000 0.333 456 Y C 1.549 177.525 175.900 0.126 0.000 1.076 456 Y CA 0.213 58.475 58.100 0.271 0.000 1.299 456 Y CB 0.507 39.114 38.460 0.246 0.000 1.197 456 Y HN 0.759 nan 8.280 nan 0.000 0.517 457 G N 1.327 110.281 108.800 0.255 0.000 2.647 457 G HA2 0.173 4.133 3.960 0.000 0.000 0.234 457 G HA3 0.173 4.133 3.960 0.000 0.000 0.234 457 G C 0.955 175.949 174.900 0.158 0.000 1.252 457 G CA -0.001 45.195 45.100 0.161 0.000 0.846 457 G HN 0.940 nan 8.290 nan 0.000 0.589 458 A N 0.810 123.691 122.820 0.100 0.000 1.978 458 A HA -0.031 4.289 4.320 0.000 0.000 0.220 458 A C 2.450 180.078 177.584 0.074 0.000 1.170 458 A CA 2.042 54.127 52.037 0.079 0.000 0.636 458 A CB -0.312 18.720 19.000 0.053 0.000 0.810 458 A HN 0.599 nan 8.150 nan 0.000 0.448 459 V N -0.537 119.424 119.914 0.079 0.000 2.535 459 V HA -0.216 3.904 4.120 0.000 0.000 0.246 459 V C 2.479 178.619 176.094 0.077 0.000 1.045 459 V CA 1.730 64.069 62.300 0.066 0.000 1.058 459 V CB -0.858 31.001 31.823 0.060 0.000 0.689 459 V HN 0.606 nan 8.190 nan 0.000 0.461 460 Q N -0.254 119.620 119.800 0.124 0.000 2.124 460 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 460 Q C 2.257 178.293 176.000 0.061 0.000 0.977 460 Q CA 1.233 57.124 55.803 0.147 0.000 0.850 460 Q CB -0.225 28.711 28.738 0.329 0.000 0.901 460 Q HN 0.585 nan 8.270 nan 0.000 0.429 461 Q N -0.024 119.823 119.800 0.079 0.000 2.515 461 Q HA -0.114 4.226 4.340 0.000 0.000 0.215 461 Q C 1.917 177.910 176.000 -0.012 0.000 0.983 461 Q CA 0.663 56.471 55.803 0.008 0.000 0.905 461 Q CB -0.034 28.741 28.738 0.062 0.000 0.961 461 Q HN 0.215 nan 8.270 nan 0.000 0.503 462 S N -0.303 115.401 115.700 0.007 0.000 2.453 462 S HA -0.025 4.445 4.470 0.000 0.000 0.231 462 S C 0.880 175.472 174.600 -0.014 0.000 1.005 462 S CA 0.146 58.347 58.200 0.003 0.000 0.949 462 S CB 0.229 63.439 63.200 0.017 0.000 0.774 462 S HN 0.140 nan 8.310 nan 0.000 0.510 463 I N 2.782 123.331 120.570 -0.035 0.000 2.353 463 I HA 0.265 4.435 4.170 0.000 0.000 0.293 463 I C 0.292 176.363 176.117 -0.078 0.000 0.992 463 I CA -0.853 60.420 61.300 -0.046 0.000 1.268 463 I CB 0.913 38.886 38.000 -0.044 0.000 1.387 463 I HN 0.174 nan 8.210 nan 0.000 0.478 464 D N 4.178 124.550 120.400 -0.047 0.000 2.493 464 D HA -0.067 4.573 4.640 0.000 0.000 0.240 464 D C 1.254 177.508 176.300 -0.077 0.000 1.142 464 D CA 0.216 54.191 54.000 -0.041 0.000 0.872 464 D CB 1.183 41.982 40.800 -0.002 0.000 1.173 464 D HN 0.663 nan 8.370 nan 0.000 0.467 465 S N 4.343 119.985 115.700 -0.096 0.000 2.419 465 S HA -0.192 4.278 4.470 0.000 0.000 0.233 465 S C 1.678 176.239 174.600 -0.064 0.000 1.016 465 S CA 0.633 58.757 58.200 -0.128 0.000 0.974 465 S CB -0.058 63.073 63.200 -0.115 0.000 0.786 465 S HN 0.559 nan 8.310 nan 0.000 0.492 466 R N 0.760 121.239 120.500 -0.034 0.000 2.193 466 R HA 0.153 4.493 4.340 0.000 0.000 0.229 466 R C 1.897 178.176 176.300 -0.035 0.000 1.110 466 R CA 1.224 57.304 56.100 -0.034 0.000 0.988 466 R CB -0.554 29.718 30.300 -0.046 0.000 0.871 466 R HN 0.458 nan 8.270 nan 0.000 0.458 467 L N 0.398 121.601 121.223 -0.033 0.000 2.418 467 L HA 0.097 4.437 4.340 0.000 0.000 0.218 467 L C 0.788 177.655 176.870 -0.005 0.000 1.125 467 L CA 0.234 55.063 54.840 -0.019 0.000 0.835 467 L CB 0.028 42.076 42.059 -0.019 0.000 0.953 467 L HN 0.066 nan 8.230 nan 0.000 0.454 468 I N 0.192 120.751 120.570 -0.018 0.000 2.396 468 I HA 0.225 4.395 4.170 0.000 0.000 0.292 468 I C -0.535 175.595 176.117 0.022 0.000 0.999 468 I CA -0.335 60.968 61.300 0.005 0.000 1.310 468 I CB 1.664 39.644 38.000 -0.033 0.000 1.404 468 I HN -0.287 nan 8.210 nan 0.000 0.496 469 V N 4.684 124.634 119.914 0.060 0.000 2.709 469 V HA 0.313 4.433 4.120 0.000 0.000 0.308 469 V C -0.835 175.264 176.094 0.009 0.000 1.062 469 V CA -0.873 61.428 62.300 0.002 0.000 0.901 469 V CB 2.165 33.988 31.823 0.000 0.000 1.003 469 V HN 0.587 nan 8.190 nan 0.000 0.425 470 D N 2.391 122.727 120.400 -0.107 0.000 2.210 470 D HA 0.478 5.118 4.640 0.000 0.000 0.249 470 D C -1.026 175.193 176.300 -0.136 0.000 1.062 470 D CA 0.126 54.103 54.000 -0.039 0.000 0.891 470 D CB 1.294 42.076 40.800 -0.030 0.000 1.186 470 D HN 0.448 nan 8.370 nan 0.000 0.432 471 W N 1.375 122.664 121.300 -0.018 0.000 2.554 471 W HA 0.438 5.098 4.660 0.000 0.000 0.324 471 W C 0.112 176.671 176.519 0.067 0.000 1.018 471 W CA -0.840 56.528 57.345 0.037 0.000 1.243 471 W CB 1.235 30.605 29.460 -0.151 0.000 1.345 471 W HN -0.070 nan 8.180 nan 0.000 0.441 472 R N 3.030 123.752 120.500 0.370 0.000 2.483 472 R HA 0.523 4.863 4.340 0.000 0.000 0.303 472 R C -1.544 174.913 176.300 0.262 0.000 0.987 472 R CA -0.868 55.340 56.100 0.180 0.000 0.881 472 R CB 1.669 32.036 30.300 0.112 0.000 1.177 472 R HN 0.158 nan 8.270 nan 0.000 0.451 473 F N 2.979 122.762 119.950 -0.278 0.000 2.482 473 F HA 0.497 5.024 4.527 0.000 0.000 0.331 473 F C -0.330 175.331 175.800 -0.232 0.000 1.115 473 F CA -1.547 56.376 58.000 -0.128 0.000 0.955 473 F CB 1.115 40.021 39.000 -0.156 0.000 1.136 473 F HN 0.306 nan 8.300 nan 0.000 0.452 474 F N 1.400 121.541 119.950 0.319 0.000 2.449 474 F HA 0.649 5.176 4.527 0.000 0.000 0.342 474 F C 0.685 176.696 175.800 0.352 0.000 1.127 474 F CA -0.994 57.193 58.000 0.312 0.000 0.975 474 F CB 1.460 40.691 39.000 0.384 0.000 1.146 474 F HN 0.528 nan 8.300 nan 0.000 0.444 475 G N 2.172 111.222 108.800 0.416 0.000 2.477 475 G HA2 0.608 4.568 3.960 0.000 0.000 0.304 475 G HA3 0.608 4.568 3.960 0.000 0.000 0.304 475 G C -0.834 174.261 174.900 0.325 0.000 1.175 475 G CA -1.058 44.277 45.100 0.391 0.000 0.907 475 G HN 0.714 nan 8.290 nan 0.000 0.509 476 R N -0.831 119.859 120.500 0.317 0.000 2.428 476 R HA 0.635 4.975 4.340 0.000 0.000 0.294 476 R C -1.021 175.376 176.300 0.163 0.000 1.000 476 R CA -0.523 55.677 56.100 0.166 0.000 0.960 476 R CB 1.206 31.616 30.300 0.182 0.000 1.076 476 R HN 0.259 nan 8.270 nan 0.000 0.475 477 T N 2.059 116.675 114.554 0.103 0.000 2.786 477 T HA 0.112 4.462 4.350 0.000 0.000 0.283 477 T C -0.728 174.050 174.700 0.129 0.000 0.992 477 T CA -0.631 61.581 62.100 0.187 0.000 0.954 477 T CB 1.330 70.386 68.868 0.313 0.000 0.934 477 T HN 0.671 nan 8.240 nan 0.000 0.440 478 E N 4.808 125.087 120.200 0.132 0.000 2.417 478 E HA 0.069 4.419 4.350 0.000 0.000 0.261 478 E C -2.096 174.578 176.600 0.123 0.000 1.000 478 E CA -1.501 54.966 56.400 0.112 0.000 0.919 478 E CB 0.495 30.253 29.700 0.096 0.000 0.955 478 E HN 0.197 nan 8.360 nan 0.000 0.455 479 P HA 0.086 nan 4.420 nan 0.000 0.271 479 P C -1.208 176.242 177.300 0.250 0.000 1.226 479 P CA 0.169 63.403 63.100 0.224 0.000 0.765 479 P CB 0.625 32.476 31.700 0.252 0.000 0.835 480 K N 2.672 123.164 120.400 0.153 0.000 2.443 480 K HA 0.157 4.477 4.320 0.000 0.000 0.252 480 K C 0.942 177.376 176.600 -0.277 0.000 0.933 480 K CA -0.675 55.617 56.287 0.009 0.000 0.792 480 K CB 2.319 34.785 32.500 -0.056 0.000 1.185 480 K HN 0.453 nan 8.250 nan 0.000 0.425 481 E N 2.302 122.184 120.200 -0.529 0.000 2.160 481 E HA -0.222 4.128 4.350 0.000 0.000 0.195 481 E C 0.987 177.328 176.600 -0.432 0.000 0.991 481 E CA 1.565 57.393 56.400 -0.952 0.000 0.810 481 E CB 0.476 29.840 29.700 -0.560 0.000 0.742 481 E HN 0.556 nan 8.360 nan 0.000 0.466 482 E N 0.343 120.399 120.200 -0.241 0.000 2.347 482 E HA -0.114 4.236 4.350 0.000 0.000 0.196 482 E C 0.015 176.556 176.600 -0.098 0.000 1.008 482 E CA 0.294 56.609 56.400 -0.143 0.000 0.852 482 E CB -0.285 29.349 29.700 -0.110 0.000 0.783 482 E HN 0.077 nan 8.360 nan 0.000 0.505 483 N N 2.118 120.749 118.700 -0.115 0.000 2.411 483 N HA 0.157 4.897 4.740 0.000 0.000 0.259 483 N C -0.761 174.806 175.510 0.094 0.000 1.103 483 N CA 0.211 53.249 53.050 -0.020 0.000 0.954 483 N CB 0.984 39.426 38.487 -0.075 0.000 1.085 483 N HN 0.135 nan 8.380 nan 0.000 0.485 484 K N 1.165 121.677 120.400 0.186 0.000 2.477 484 K HA 0.474 4.794 4.320 0.000 0.000 0.255 484 K C -1.136 175.623 176.600 0.264 0.000 0.952 484 K CA -0.934 55.483 56.287 0.216 0.000 0.826 484 K CB 2.371 35.001 32.500 0.217 0.000 1.331 484 K HN 0.158 nan 8.250 nan 0.000 0.437 485 L N 3.860 125.188 121.223 0.176 0.000 2.298 485 L HA 0.568 4.908 4.340 0.000 0.000 0.284 485 L C -1.354 175.466 176.870 -0.084 0.000 1.013 485 L CA -0.060 54.727 54.840 -0.088 0.000 0.824 485 L CB 0.522 42.541 42.059 -0.067 0.000 1.221 485 L HN 0.715 nan 8.230 nan 0.000 0.418 486 W N 3.741 124.764 121.300 -0.462 0.000 3.017 486 W HA 0.629 5.289 4.660 -0.000 0.000 0.341 486 W C -2.215 173.886 176.519 -0.696 0.000 1.180 486 W CA -1.224 55.907 57.345 -0.357 0.000 1.097 486 W CB 0.972 30.366 29.460 -0.109 0.000 1.468 486 W HN 0.325 nan 8.180 nan 0.000 0.584 487 F N 1.640 121.779 119.950 0.314 0.000 2.518 487 F HA 0.318 4.845 4.527 0.000 0.000 0.323 487 F C 0.817 176.777 175.800 0.268 0.000 1.129 487 F CA -0.885 57.178 58.000 0.106 0.000 0.920 487 F CB 2.065 41.108 39.000 0.071 0.000 1.160 487 F HN 0.268 nan 8.300 nan 0.000 0.440 488 S N 1.337 117.177 115.700 0.232 0.000 2.560 488 S HA 0.007 4.477 4.470 0.000 0.000 0.284 488 S C 0.802 175.548 174.600 0.243 0.000 1.327 488 S CA -0.425 57.947 58.200 0.286 0.000 1.055 488 S CB 0.291 63.563 63.200 0.121 0.000 0.868 488 S HN 0.688 nan 8.310 nan 0.000 0.506 489 D N 2.949 123.480 120.400 0.218 0.000 2.328 489 D HA 0.110 4.750 4.640 0.000 0.000 0.226 489 D C 0.861 177.221 176.300 0.100 0.000 1.066 489 D CA 0.341 54.424 54.000 0.138 0.000 0.861 489 D CB 0.164 41.028 40.800 0.107 0.000 0.912 489 D HN 0.526 nan 8.370 nan 0.000 0.521 490 K N -0.327 120.136 120.400 0.105 0.000 2.556 490 K HA 0.115 4.435 4.320 0.000 0.000 0.201 490 K C -0.086 176.555 176.600 0.068 0.000 1.423 490 K CA -0.225 56.108 56.287 0.076 0.000 1.010 490 K CB 1.004 33.548 32.500 0.074 0.000 1.409 490 K HN -0.062 nan 8.250 nan 0.000 0.538 491 I N 3.472 124.086 120.570 0.073 0.000 2.428 491 I HA 0.133 4.303 4.170 0.000 0.000 0.289 491 I C 0.529 176.680 176.117 0.057 0.000 1.019 491 I CA 0.039 61.370 61.300 0.053 0.000 1.351 491 I CB 1.073 39.093 38.000 0.032 0.000 1.412 491 I HN 0.213 nan 8.210 nan 0.000 0.513 492 T N 1.343 115.928 114.554 0.052 0.000 2.924 492 T HA 0.606 4.956 4.350 0.000 0.000 0.291 492 T C -0.357 174.380 174.700 0.062 0.000 1.045 492 T CA -0.899 61.240 62.100 0.064 0.000 1.015 492 T CB 2.439 71.343 68.868 0.060 0.000 1.103 492 T HN 0.540 nan 8.240 nan 0.000 0.496 493 D N 0.804 121.259 120.400 0.092 0.000 2.507 493 D HA 0.483 5.123 4.640 0.000 0.000 0.280 493 D C 1.654 178.006 176.300 0.085 0.000 1.219 493 D CA -0.387 53.674 54.000 0.103 0.000 1.085 493 D CB -0.098 40.800 40.800 0.164 0.000 1.134 493 D HN 0.654 nan 8.370 nan 0.000 0.583 494 A N -1.513 121.361 122.820 0.090 0.000 2.121 494 A HA -0.094 4.226 4.320 0.000 0.000 0.218 494 A C 1.076 178.531 177.584 -0.215 0.000 1.154 494 A CA 0.844 52.845 52.037 -0.061 0.000 0.679 494 A CB -0.922 18.022 19.000 -0.093 0.000 0.795 494 A HN 0.529 nan 8.150 nan 0.000 0.458 495 Y N -0.935 119.387 120.300 0.037 0.000 2.708 495 Y HA 0.242 4.792 4.550 0.000 0.000 0.287 495 Y C 0.661 176.591 175.900 0.050 0.000 1.145 495 Y CA -0.454 57.671 58.100 0.042 0.000 1.249 495 Y CB -0.471 38.002 38.460 0.021 0.000 1.152 495 Y HN 0.400 nan 8.280 nan 0.000 0.532 496 N N -0.047 118.725 118.700 0.120 0.000 2.708 496 N HA -0.186 4.554 4.740 0.000 0.000 0.249 496 N C -0.617 174.948 175.510 0.092 0.000 1.097 496 N CA 0.736 53.836 53.050 0.085 0.000 0.710 496 N CB -0.492 38.030 38.487 0.057 0.000 1.032 496 N HN 0.195 nan 8.380 nan 0.000 0.551 497 M N -0.416 119.257 119.600 0.122 0.000 2.654 497 M HA 0.434 4.914 4.480 0.000 0.000 0.310 497 M C -2.071 174.296 176.300 0.112 0.000 1.211 497 M CA -2.054 53.306 55.300 0.100 0.000 0.947 497 M CB 0.573 33.237 32.600 0.108 0.000 1.647 497 M HN -0.273 nan 8.290 nan 0.000 0.481 498 P HA -0.006 nan 4.420 nan 0.000 0.261 498 P C -0.598 176.853 177.300 0.252 0.000 1.183 498 P CA 0.112 63.309 63.100 0.162 0.000 0.761 498 P CB 0.168 31.963 31.700 0.158 0.000 0.785 499 Q N 7.009 126.901 119.800 0.154 0.000 2.271 499 Q HA 0.141 4.481 4.340 0.000 0.000 0.273 499 Q C -2.209 173.735 176.000 -0.094 0.000 1.051 499 Q CA -1.809 54.026 55.803 0.054 0.000 0.901 499 Q CB -0.229 28.496 28.738 -0.022 0.000 1.174 499 Q HN 0.305 nan 8.270 nan 0.000 0.385 500 P HA 0.091 nan 4.420 nan 0.000 0.271 500 P C -1.058 175.734 177.300 -0.847 0.000 1.216 500 P CA -0.114 62.544 63.100 -0.736 0.000 0.776 500 P CB 0.989 32.336 31.700 -0.588 0.000 0.881 501 T N 2.914 116.737 114.554 -1.218 0.000 2.921 501 T HA 0.493 4.843 4.350 0.000 0.000 0.297 501 T C -0.554 173.442 174.700 -1.172 0.000 1.013 501 T CA -0.132 61.246 62.100 -1.204 0.000 0.990 501 T CB 0.459 68.317 68.868 -1.684 0.000 1.023 501 T HN 0.055 nan 8.240 nan 0.000 0.447 502 F N 1.908 121.582 119.950 -0.459 0.000 2.397 502 F HA 0.515 5.042 4.527 -0.000 0.000 0.331 502 F C 0.714 176.469 175.800 -0.075 0.000 1.090 502 F CA -0.997 56.863 58.000 -0.233 0.000 1.065 502 F CB 1.059 39.967 39.000 -0.153 0.000 1.184 502 F HN 0.403 nan 8.300 nan 0.000 0.499 503 D N 3.308 123.882 120.400 0.290 0.000 2.408 503 D HA 0.217 4.857 4.640 0.000 0.000 0.261 503 D C -1.765 174.675 176.300 0.234 0.000 1.190 503 D CA -0.088 54.066 54.000 0.256 0.000 0.910 503 D CB 0.366 41.339 40.800 0.288 0.000 1.097 503 D HN 0.296 nan 8.370 nan 0.000 0.522 504 F N 3.316 123.265 119.950 -0.002 0.000 2.569 504 F HA 0.571 5.098 4.527 -0.000 0.000 0.312 504 F C -1.135 174.567 175.800 -0.164 0.000 1.109 504 F CA -0.612 57.320 58.000 -0.114 0.000 0.919 504 F CB 1.342 40.213 39.000 -0.215 0.000 1.211 504 F HN 0.009 nan 8.300 nan 0.000 0.446 505 R N 4.310 124.324 120.500 -0.810 0.000 2.725 505 R HA 0.364 4.704 4.340 0.000 0.000 0.277 505 R C -1.620 174.067 176.300 -1.021 0.000 0.987 505 R CA -0.982 54.737 56.100 -0.635 0.000 0.901 505 R CB 1.671 31.805 30.300 -0.277 0.000 1.207 505 R HN 0.581 nan 8.270 nan 0.000 0.463 506 F N 2.873 122.611 119.950 -0.354 0.000 2.578 506 F HA 0.178 4.705 4.527 0.000 0.000 0.381 506 F C -1.290 174.387 175.800 -0.205 0.000 1.069 506 F CA -1.073 56.800 58.000 -0.211 0.000 1.231 506 F CB -0.096 38.904 39.000 -0.000 0.000 1.086 506 F HN 0.137 nan 8.300 nan 0.000 0.564 507 P HA 0.138 nan 4.420 nan 0.000 0.269 507 P C -0.615 176.697 177.300 0.021 0.000 1.209 507 P CA -0.287 62.789 63.100 -0.040 0.000 0.776 507 P CB 0.538 32.225 31.700 -0.022 0.000 0.876 508 A N 2.483 125.302 122.820 -0.001 0.000 2.492 508 A HA 0.494 4.814 4.320 0.000 0.000 0.236 508 A C 1.130 178.729 177.584 0.025 0.000 1.078 508 A CA 0.983 53.026 52.037 0.010 0.000 0.773 508 A CB -1.121 17.877 19.000 -0.002 0.000 1.023 508 A HN 0.854 nan 8.150 nan 0.000 0.504 509 G N 0.221 109.039 108.800 0.029 0.000 2.481 509 G HA2 -0.237 3.723 3.960 0.000 0.000 0.230 509 G HA3 -0.237 3.723 3.960 0.000 0.000 0.230 509 G C 0.992 175.924 174.900 0.053 0.000 1.210 509 G CA 0.726 45.848 45.100 0.038 0.000 0.936 509 G HN 1.072 nan 8.290 nan 0.000 0.583 510 R N -0.112 120.426 120.500 0.063 0.000 2.103 510 R HA -0.109 4.231 4.340 0.000 0.000 0.242 510 R C 2.771 179.132 176.300 0.101 0.000 1.142 510 R CA 2.862 59.010 56.100 0.081 0.000 0.960 510 R CB -0.955 29.396 30.300 0.084 0.000 0.858 510 R HN 0.637 nan 8.270 nan 0.000 0.439 511 T N 0.033 114.651 114.554 0.106 0.000 2.665 511 T HA -0.130 4.220 4.350 0.000 0.000 0.268 511 T C 1.937 176.699 174.700 0.102 0.000 1.035 511 T CA 1.911 64.090 62.100 0.132 0.000 1.151 511 T CB -0.213 68.752 68.868 0.163 0.000 0.862 511 T HN 0.287 nan 8.240 nan 0.000 0.438 512 S N 0.485 116.228 115.700 0.071 0.000 2.387 512 S HA -0.012 4.458 4.470 0.000 0.000 0.226 512 S C 2.015 176.630 174.600 0.025 0.000 1.026 512 S CA 0.923 59.137 58.200 0.023 0.000 0.972 512 S CB -0.157 63.049 63.200 0.011 0.000 0.814 512 S HN 0.514 nan 8.310 nan 0.000 0.477 513 K N 1.449 121.880 120.400 0.052 0.000 2.026 513 K HA -0.109 4.211 4.320 0.000 0.000 0.208 513 K C 1.918 178.578 176.600 0.099 0.000 1.048 513 K CA 1.420 57.745 56.287 0.064 0.000 0.929 513 K CB -0.118 32.424 32.500 0.070 0.000 0.713 513 K HN 0.322 nan 8.250 nan 0.000 0.439 514 E N -0.037 120.248 120.200 0.142 0.000 2.110 514 E HA -0.192 4.158 4.350 0.000 0.000 0.193 514 E C 1.966 178.663 176.600 0.162 0.000 0.988 514 E CA 1.042 57.585 56.400 0.239 0.000 0.804 514 E CB -0.120 29.752 29.700 0.287 0.000 0.745 514 E HN 0.468 nan 8.360 nan 0.000 0.458 515 A N 1.264 124.147 122.820 0.105 0.000 1.902 515 A HA -0.242 4.078 4.320 0.000 0.000 0.217 515 A C 2.071 179.724 177.584 0.115 0.000 1.181 515 A CA 1.747 53.838 52.037 0.090 0.000 0.623 515 A CB -0.353 18.660 19.000 0.020 0.000 0.818 515 A HN 0.128 nan 8.150 nan 0.000 0.443 516 E N 0.518 120.766 120.200 0.079 0.000 2.107 516 E HA -0.143 4.207 4.350 0.000 0.000 0.191 516 E C 1.314 177.893 176.600 -0.034 0.000 0.982 516 E CA 1.472 57.914 56.400 0.070 0.000 0.809 516 E CB -0.291 29.428 29.700 0.033 0.000 0.756 516 E HN 0.514 nan 8.360 nan 0.000 0.459 517 D N -0.129 120.252 120.400 -0.032 0.000 2.144 517 D HA -0.172 4.468 4.640 0.000 0.000 0.199 517 D C 1.917 177.963 176.300 -0.422 0.000 0.984 517 D CA 1.074 55.040 54.000 -0.056 0.000 0.834 517 D CB -0.317 40.583 40.800 0.167 0.000 0.955 517 D HN 0.309 nan 8.370 nan 0.000 0.465 518 M N -0.171 118.940 119.600 -0.814 0.000 2.080 518 M HA -0.233 4.247 4.480 0.000 0.000 0.260 518 M C 2.101 177.970 176.300 -0.719 0.000 1.068 518 M CA 1.363 55.850 55.300 -1.355 0.000 1.109 518 M CB -0.017 32.026 32.600 -0.928 0.000 1.342 518 M HN -0.020 nan 8.290 nan 0.000 0.405 519 M N 0.301 119.617 119.600 -0.475 0.000 2.065 519 M HA -0.171 4.309 4.480 0.000 0.000 0.259 519 M C 1.811 177.899 176.300 -0.354 0.000 1.069 519 M CA 2.523 57.555 55.300 -0.448 0.000 1.110 519 M CB -0.990 31.425 32.600 -0.309 0.000 1.328 519 M HN 0.283 nan 8.290 nan 0.000 0.405 520 T N 0.063 114.474 114.554 -0.237 0.000 2.720 520 T HA -0.178 4.172 4.350 0.000 0.000 0.268 520 T C 1.504 176.122 174.700 -0.137 0.000 1.037 520 T CA 1.813 63.826 62.100 -0.146 0.000 1.144 520 T CB -0.668 68.159 68.868 -0.068 0.000 0.864 520 T HN 0.528 nan 8.240 nan 0.000 0.444 521 D N 0.542 120.852 120.400 -0.150 0.000 2.123 521 D HA -0.097 4.543 4.640 0.000 0.000 0.196 521 D C 2.034 178.296 176.300 -0.063 0.000 0.992 521 D CA 0.991 55.007 54.000 0.027 0.000 0.833 521 D CB -0.225 40.701 40.800 0.210 0.000 0.954 521 D HN 0.301 nan 8.370 nan 0.000 0.455 522 M N -0.566 118.751 119.600 -0.472 0.000 2.132 522 M HA -0.160 4.320 4.480 0.000 0.000 0.263 522 M C 2.014 178.024 176.300 -0.485 0.000 1.065 522 M CA 1.231 56.017 55.300 -0.856 0.000 1.122 522 M CB -0.149 31.676 32.600 -1.292 0.000 1.365 522 M HN 0.188 nan 8.290 nan 0.000 0.411 523 C N -0.210 118.899 119.300 -0.317 0.000 2.413 523 C HA -0.138 4.322 4.460 0.000 0.000 0.276 523 C C 2.675 177.567 174.990 -0.163 0.000 1.248 523 C CA 1.001 59.939 59.018 -0.133 0.000 1.742 523 C CB -1.071 26.638 27.740 -0.052 0.000 2.017 523 C HN 0.502 nan 8.230 nan 0.000 0.481 524 V N 0.418 120.265 119.914 -0.111 0.000 2.323 524 V HA -0.268 3.852 4.120 0.000 0.000 0.244 524 V C 2.381 178.446 176.094 -0.047 0.000 1.041 524 V CA 2.237 64.503 62.300 -0.058 0.000 1.025 524 V CB -0.655 31.186 31.823 0.030 0.000 0.656 524 V HN 0.593 nan 8.190 nan 0.000 0.451 525 M N 0.765 120.376 119.600 0.019 0.000 2.132 525 M HA -0.158 4.322 4.480 0.000 0.000 0.263 525 M C 2.452 178.626 176.300 -0.211 0.000 1.065 525 M CA 2.304 57.687 55.300 0.138 0.000 1.122 525 M CB -0.185 32.649 32.600 0.391 0.000 1.365 525 M HN 0.546 nan 8.290 nan 0.000 0.411 526 S N 0.599 115.867 115.700 -0.720 0.000 2.399 526 S HA -0.051 4.419 4.470 0.000 0.000 0.231 526 S C 2.011 176.203 174.600 -0.680 0.000 1.022 526 S CA 0.956 58.314 58.200 -1.403 0.000 0.983 526 S CB -0.907 61.214 63.200 -1.799 0.000 0.803 526 S HN 0.582 nan 8.310 nan 0.000 0.480 527 A N 2.018 124.547 122.820 -0.486 0.000 2.076 527 A HA -0.063 4.257 4.320 0.000 0.000 0.220 527 A C 2.166 179.621 177.584 -0.215 0.000 1.160 527 A CA 1.492 53.310 52.037 -0.366 0.000 0.653 527 A CB -0.579 18.239 19.000 -0.304 0.000 0.801 527 A HN 0.642 nan 8.150 nan 0.000 0.455 528 K N -0.836 119.481 120.400 -0.138 0.000 2.288 528 K HA 0.049 4.369 4.320 0.000 0.000 0.201 528 K C 1.120 177.711 176.600 -0.016 0.000 1.048 528 K CA 0.706 56.961 56.287 -0.053 0.000 0.956 528 K CB 0.030 32.537 32.500 0.012 0.000 0.746 528 K HN 0.407 nan 8.250 nan 0.000 0.461 529 I N -0.817 119.754 120.570 0.001 0.000 3.172 529 I HA 0.164 4.334 4.170 0.000 0.000 0.278 529 I C 1.078 177.207 176.117 0.020 0.000 1.174 529 I CA 0.541 61.892 61.300 0.086 0.000 1.445 529 I CB 0.155 38.347 38.000 0.319 0.000 1.175 529 I HN 0.083 nan 8.210 nan 0.000 0.447 530 G N -0.617 108.138 108.800 -0.074 0.000 2.356 530 G HA2 0.462 4.422 3.960 0.000 0.000 0.294 530 G HA3 0.462 4.422 3.960 0.000 0.000 0.294 530 G C -0.648 174.106 174.900 -0.244 0.000 1.423 530 G CA -0.159 44.875 45.100 -0.110 0.000 0.806 530 G HN 0.273 nan 8.290 nan 0.000 0.527 531 G N -1.169 107.487 108.800 -0.241 0.000 2.562 531 G HA2 0.556 4.516 3.960 0.000 0.000 0.275 531 G HA3 0.556 4.516 3.960 0.000 0.000 0.275 531 G C -0.304 174.410 174.900 -0.310 0.000 1.196 531 G CA -0.535 44.334 45.100 -0.385 0.000 0.908 531 G HN 0.441 nan 8.290 nan 0.000 0.524 532 F N -0.850 119.008 119.950 -0.153 0.000 2.506 532 F HA 0.240 4.767 4.527 0.000 0.000 0.351 532 F C 0.679 176.421 175.800 -0.097 0.000 1.136 532 F CA -0.724 57.180 58.000 -0.160 0.000 1.298 532 F CB 0.767 39.664 39.000 -0.172 0.000 1.145 532 F HN 0.174 nan 8.300 nan 0.000 0.593 533 L N 5.695 126.989 121.223 0.118 0.000 2.313 533 L HA 0.435 4.775 4.340 0.000 0.000 0.282 533 L C -2.422 174.494 176.870 0.076 0.000 1.092 533 L CA -1.939 52.945 54.840 0.073 0.000 0.831 533 L CB 0.165 42.261 42.059 0.061 0.000 1.159 533 L HN 0.272 nan 8.230 nan 0.000 0.442 534 P HA 0.176 nan 4.420 nan 0.000 0.264 534 P C 0.658 178.006 177.300 0.080 0.000 1.183 534 P CA 0.998 64.136 63.100 0.063 0.000 0.763 534 P CB 0.625 32.357 31.700 0.053 0.000 0.807 535 G N 1.986 110.828 108.800 0.070 0.000 2.205 535 G HA2 -0.249 3.711 3.960 0.000 0.000 0.261 535 G HA3 -0.249 3.711 3.960 0.000 0.000 0.261 535 G C 0.453 175.437 174.900 0.140 0.000 0.980 535 G CA 0.302 45.463 45.100 0.101 0.000 0.632 535 G HN 0.532 nan 8.290 nan 0.000 0.533 536 S N 0.581 116.338 115.700 0.095 0.000 2.617 536 S HA 0.506 4.976 4.470 0.000 0.000 0.237 536 S C 0.451 174.973 174.600 -0.131 0.000 1.142 536 S CA -0.559 57.688 58.200 0.080 0.000 1.167 536 S CB 0.311 63.535 63.200 0.040 0.000 1.068 536 S HN 0.462 nan 8.310 nan 0.000 0.470 537 L N 2.629 123.767 121.223 -0.141 0.000 2.464 537 L HA 0.346 4.686 4.340 0.000 0.000 0.264 537 L C -2.059 174.535 176.870 -0.459 0.000 1.199 537 L CA -2.163 52.461 54.840 -0.360 0.000 0.818 537 L CB -0.014 41.895 42.059 -0.250 0.000 1.102 537 L HN 0.064 nan 8.230 nan 0.000 0.473 538 P HA 0.005 nan 4.420 nan 0.000 0.264 538 P C -1.395 175.692 177.300 -0.355 0.000 1.193 538 P CA 0.091 62.821 63.100 -0.617 0.000 0.763 538 P CB 0.515 31.770 31.700 -0.741 0.000 0.810 539 Q N 1.457 121.091 119.800 -0.277 0.000 2.527 539 Q HA 0.453 4.793 4.340 0.000 0.000 0.280 539 Q C -1.484 174.391 176.000 -0.209 0.000 0.977 539 Q CA -0.856 54.862 55.803 -0.143 0.000 0.837 539 Q CB 0.620 29.349 28.738 -0.015 0.000 1.454 539 Q HN 0.098 nan 8.270 nan 0.000 0.387 540 F N 1.687 121.589 119.950 -0.080 0.000 2.456 540 F HA 0.282 4.809 4.527 0.000 0.000 0.358 540 F C 0.657 176.429 175.800 -0.046 0.000 1.095 540 F CA -0.279 57.673 58.000 -0.079 0.000 1.216 540 F CB 0.912 39.854 39.000 -0.098 0.000 1.125 540 F HN 0.391 nan 8.300 nan 0.000 0.549 541 M N 2.663 122.309 119.600 0.077 0.000 2.255 541 M HA 0.163 4.643 4.480 0.000 0.000 0.336 541 M C 0.178 176.522 176.300 0.072 0.000 1.135 541 M CA -0.549 54.770 55.300 0.033 0.000 1.145 541 M CB 0.668 33.246 32.600 -0.036 0.000 1.473 541 M HN 0.478 nan 8.290 nan 0.000 0.462 542 K N 2.044 122.461 120.400 0.028 0.000 2.550 542 K HA -0.004 4.316 4.320 0.000 0.000 0.280 542 K C -2.221 174.405 176.600 0.044 0.000 0.987 542 K CA -0.750 55.554 56.287 0.028 0.000 1.048 542 K CB -0.292 32.198 32.500 -0.017 0.000 0.879 542 K HN 0.298 nan 8.250 nan 0.000 0.491 543 P HA -0.013 nan 4.420 nan 0.000 0.267 543 P C 0.458 177.693 177.300 -0.108 0.000 1.209 543 P CA 0.598 63.742 63.100 0.074 0.000 0.763 543 P CB 0.792 32.518 31.700 0.043 0.000 0.816 544 G N 2.457 111.197 108.800 -0.100 0.000 2.195 544 G HA2 -0.306 3.654 3.960 0.000 0.000 0.246 544 G HA3 -0.306 3.654 3.960 0.000 0.000 0.246 544 G C 0.695 175.548 174.900 -0.079 0.000 0.984 544 G CA 0.141 45.141 45.100 -0.166 0.000 0.633 544 G HN 0.521 nan 8.290 nan 0.000 0.525 545 L N 1.137 122.331 121.223 -0.048 0.000 2.191 545 L HA 0.180 4.520 4.340 0.000 0.000 0.212 545 L C 2.816 179.668 176.870 -0.030 0.000 1.103 545 L CA 2.435 57.248 54.840 -0.044 0.000 0.769 545 L CB -0.411 41.615 42.059 -0.054 0.000 0.908 545 L HN 0.556 nan 8.230 nan 0.000 0.438 546 V N 0.023 119.927 119.914 -0.018 0.000 2.568 546 V HA -0.194 3.926 4.120 0.000 0.000 0.253 546 V C 1.523 177.534 176.094 -0.138 0.000 1.072 546 V CA 1.251 63.524 62.300 -0.045 0.000 1.084 546 V CB -0.348 31.495 31.823 0.034 0.000 0.676 546 V HN 0.487 nan 8.190 nan 0.000 0.469 547 L N 0.319 121.529 121.223 -0.021 0.000 3.601 547 L HA -0.242 4.098 4.340 0.000 0.000 0.469 547 L C 0.258 177.266 176.870 0.230 0.000 1.294 547 L CA 0.925 55.812 54.840 0.079 0.000 0.829 547 L CB -2.475 39.659 42.059 0.125 0.000 1.628 547 L HN 0.591 nan 8.230 nan 0.000 0.868 548 H N -0.653 118.517 119.070 0.167 0.000 2.492 548 H HA 0.278 4.834 4.556 0.000 0.000 0.264 548 H C 0.454 175.914 175.328 0.220 0.000 1.150 548 H CA -1.123 55.061 56.048 0.228 0.000 0.962 548 H CB 0.726 30.663 29.762 0.292 0.000 1.766 548 H HN 0.208 nan 8.280 nan 0.000 0.589 549 L N 2.115 123.478 121.223 0.234 0.000 2.559 549 L HA 0.155 4.495 4.340 0.000 0.000 0.274 549 L C 0.662 177.661 176.870 0.215 0.000 1.205 549 L CA 0.732 55.662 54.840 0.151 0.000 0.907 549 L CB 0.241 42.351 42.059 0.086 0.000 1.153 549 L HN 0.306 nan 8.230 nan 0.000 0.490 550 G N 2.084 111.025 108.800 0.236 0.000 2.630 550 G HA2 0.542 4.502 3.960 0.000 0.000 0.296 550 G HA3 0.542 4.502 3.960 0.000 0.000 0.296 550 G C 0.346 175.350 174.900 0.172 0.000 1.285 550 G CA -0.287 44.974 45.100 0.268 0.000 0.958 550 G HN 1.297 nan 8.290 nan 0.000 0.479 551 G N -1.006 107.860 108.800 0.109 0.000 2.159 551 G HA2 -0.244 3.716 3.960 0.000 0.000 0.256 551 G HA3 -0.244 3.716 3.960 0.000 0.000 0.256 551 G C 1.316 176.279 174.900 0.105 0.000 0.977 551 G CA 1.507 46.679 45.100 0.120 0.000 0.652 551 G HN 1.832 nan 8.290 nan 0.000 0.531 552 T N -2.021 112.547 114.554 0.024 0.000 2.995 552 T HA 0.134 4.484 4.350 0.000 0.000 0.269 552 T C 1.099 175.885 174.700 0.143 0.000 1.091 552 T CA 1.875 64.032 62.100 0.095 0.000 1.128 552 T CB -0.278 68.655 68.868 0.109 0.000 0.891 552 T HN 1.520 nan 8.240 nan 0.000 0.492 553 H N -0.209 118.935 119.070 0.124 0.000 2.823 553 H HA 0.454 5.010 4.556 0.000 0.000 0.222 553 H C -0.104 175.264 175.328 0.068 0.000 1.414 553 H CA -1.333 54.764 56.048 0.081 0.000 1.289 553 H CB -0.350 29.428 29.762 0.026 0.000 1.970 553 H HN 0.349 nan 8.280 nan 0.000 0.517 554 R N 0.479 121.059 120.500 0.132 0.000 2.641 554 R HA 0.314 4.654 4.340 0.000 0.000 0.269 554 R C -0.328 176.026 176.300 0.090 0.000 1.074 554 R CA -0.749 55.400 56.100 0.081 0.000 1.133 554 R CB 0.977 31.317 30.300 0.066 0.000 1.029 554 R HN 0.439 nan 8.270 nan 0.000 0.488 555 M N 1.230 120.857 119.600 0.046 0.000 2.274 555 M HA 0.425 4.905 4.480 0.000 0.000 0.344 555 M C -0.450 175.836 176.300 -0.023 0.000 1.161 555 M CA 0.304 55.606 55.300 0.002 0.000 1.126 555 M CB 1.506 34.083 32.600 -0.038 0.000 1.522 555 M HN 0.943 nan 8.290 nan 0.000 0.461 556 G N 2.160 110.949 108.800 -0.018 0.000 2.550 556 G HA2 0.412 4.372 3.960 0.000 0.000 0.293 556 G HA3 0.412 4.372 3.960 0.000 0.000 0.293 556 G C -0.898 173.976 174.900 -0.045 0.000 1.402 556 G CA -0.693 44.355 45.100 -0.086 0.000 0.784 556 G HN 0.670 nan 8.290 nan 0.000 0.482 557 F N -0.019 120.026 119.950 0.159 0.000 2.187 557 F HA 0.250 4.777 4.527 0.000 0.000 0.295 557 F C 1.121 177.047 175.800 0.210 0.000 1.091 557 F CA 1.144 59.240 58.000 0.161 0.000 1.308 557 F CB 0.330 39.385 39.000 0.092 0.000 1.030 557 F HN 0.373 nan 8.300 nan 0.000 0.487 558 D N -1.031 119.529 120.400 0.266 0.000 2.629 558 D HA 0.136 4.776 4.640 0.000 0.000 0.250 558 D C 0.709 176.862 176.300 -0.244 0.000 1.126 558 D CA -0.257 53.749 54.000 0.010 0.000 0.852 558 D CB 1.412 42.227 40.800 0.025 0.000 1.335 558 D HN 0.090 nan 8.370 nan 0.000 0.518 559 E N 2.947 122.674 120.200 -0.788 0.000 2.058 559 E HA -0.251 4.099 4.350 0.000 0.000 0.194 559 E C 1.271 177.686 176.600 -0.308 0.000 0.997 559 E CA 1.195 57.084 56.400 -0.852 0.000 0.801 559 E CB 0.290 29.344 29.700 -1.077 0.000 0.746 559 E HN 0.424 nan 8.360 nan 0.000 0.450 560 K N 0.076 120.344 120.400 -0.220 0.000 2.044 560 K HA -0.108 4.212 4.320 0.000 0.000 0.204 560 K C 1.985 178.552 176.600 -0.056 0.000 1.045 560 K CA 1.283 57.510 56.287 -0.100 0.000 0.951 560 K CB 0.110 32.566 32.500 -0.073 0.000 0.738 560 K HN 0.035 nan 8.250 nan 0.000 0.443 561 E N 0.366 120.538 120.200 -0.047 0.000 2.150 561 E HA -0.122 4.228 4.350 0.000 0.000 0.193 561 E C 0.688 177.286 176.600 -0.004 0.000 0.985 561 E CA 1.037 57.433 56.400 -0.007 0.000 0.814 561 E CB 0.219 29.928 29.700 0.015 0.000 0.752 561 E HN 0.297 nan 8.360 nan 0.000 0.466 562 D N -0.022 120.368 120.400 -0.017 0.000 2.395 562 D HA 0.070 4.710 4.640 0.000 0.000 0.213 562 D C -0.693 175.544 176.300 -0.105 0.000 1.110 562 D CA -0.028 53.959 54.000 -0.022 0.000 0.835 562 D CB 0.128 40.953 40.800 0.041 0.000 0.965 562 D HN 0.081 nan 8.370 nan 0.000 0.505 563 N N 0.725 119.360 118.700 -0.109 0.000 2.667 563 N HA -0.191 4.549 4.740 0.000 0.000 0.263 563 N C -0.202 175.221 175.510 -0.145 0.000 1.038 563 N CA 0.537 53.498 53.050 -0.150 0.000 0.749 563 N CB -1.412 36.862 38.487 -0.356 0.000 0.892 563 N HN 0.398 nan 8.380 nan 0.000 0.546 564 C N -3.305 115.988 119.300 -0.012 0.000 3.213 564 C HA 0.790 5.250 4.460 0.000 0.000 0.319 564 C C 1.405 176.563 174.990 0.279 0.000 1.386 564 C CA -0.637 58.451 59.018 0.117 0.000 1.494 564 C CB 1.587 29.419 27.740 0.153 0.000 1.905 564 C HN 0.495 nan 8.230 nan 0.000 0.456 565 C N 0.175 119.674 119.300 0.332 0.000 2.937 565 C HA 0.470 4.930 4.460 0.000 0.000 0.426 565 C C 0.734 175.819 174.990 0.158 0.000 1.321 565 C CA 0.614 59.823 59.018 0.319 0.000 2.082 565 C CB -0.386 27.463 27.740 0.181 0.000 2.834 565 C HN 0.954 nan 8.230 nan 0.000 0.593 566 V N 1.493 121.388 119.914 -0.032 0.000 2.960 566 V HA 0.713 4.833 4.120 0.000 0.000 0.315 566 V C -0.640 175.093 176.094 -0.602 0.000 1.087 566 V CA -0.619 61.417 62.300 -0.439 0.000 0.982 566 V CB 1.456 33.152 31.823 -0.211 0.000 1.039 566 V HN 0.432 nan 8.190 nan 0.000 0.437 567 N N 0.730 118.922 118.700 -0.847 0.000 2.431 567 N HA 0.242 4.982 4.740 0.000 0.000 0.289 567 N C 1.017 176.379 175.510 -0.246 0.000 1.277 567 N CA 0.240 53.016 53.050 -0.457 0.000 0.972 567 N CB -0.173 38.080 38.487 -0.390 0.000 1.143 567 N HN 0.921 nan 8.380 nan 0.000 0.578 568 T N -4.754 109.702 114.554 -0.163 0.000 3.113 568 T HA 0.026 4.376 4.350 0.000 0.000 0.263 568 T C 0.084 174.704 174.700 -0.133 0.000 1.143 568 T CA 0.616 62.623 62.100 -0.154 0.000 1.090 568 T CB -0.354 68.449 68.868 -0.108 0.000 0.922 568 T HN 0.436 nan 8.240 nan 0.000 0.521 569 D N 0.894 121.205 120.400 -0.149 0.000 2.340 569 D HA 0.213 4.853 4.640 0.000 0.000 0.217 569 D C 0.526 176.827 176.300 0.002 0.000 1.081 569 D CA 0.067 53.997 54.000 -0.115 0.000 0.842 569 D CB 0.221 40.832 40.800 -0.314 0.000 0.934 569 D HN 0.316 nan 8.370 nan 0.000 0.511 570 S N 0.177 115.849 115.700 -0.046 0.000 3.382 570 S HA -0.244 4.226 4.470 0.000 0.000 0.293 570 S C 0.560 175.170 174.600 0.018 0.000 1.262 570 S CA 0.384 58.599 58.200 0.027 0.000 0.969 570 S CB -1.303 61.982 63.200 0.142 0.000 1.136 570 S HN 0.444 nan 8.310 nan 0.000 0.635 571 R N 1.342 121.731 120.500 -0.184 0.000 2.308 571 R HA 0.444 4.784 4.340 0.000 0.000 0.305 571 R C -0.027 175.968 176.300 -0.507 0.000 1.053 571 R CA -0.352 55.446 56.100 -0.503 0.000 0.957 571 R CB 0.636 30.600 30.300 -0.560 0.000 1.022 571 R HN 0.139 nan 8.270 nan 0.000 0.461 572 V N 6.415 126.059 119.914 -0.449 0.000 2.529 572 V HA -0.015 4.105 4.120 0.000 0.000 0.292 572 V C 0.199 176.230 176.094 -0.106 0.000 1.028 572 V CA 0.272 62.391 62.300 -0.302 0.000 1.074 572 V CB -0.228 31.391 31.823 -0.340 0.000 0.958 572 V HN 0.561 nan 8.190 nan 0.000 0.481 573 F N 3.805 123.787 119.950 0.053 0.000 2.623 573 F HA 0.383 4.910 4.527 0.000 0.000 0.383 573 F C 1.608 177.534 175.800 0.209 0.000 1.077 573 F CA 1.526 59.586 58.000 0.099 0.000 1.268 573 F CB -0.045 39.008 39.000 0.088 0.000 1.053 573 F HN 0.792 nan 8.300 nan 0.000 0.571 574 G N 2.179 111.157 108.800 0.297 0.000 2.267 574 G HA2 -0.314 3.646 3.960 0.000 0.000 0.257 574 G HA3 -0.314 3.646 3.960 0.000 0.000 0.257 574 G C -0.092 174.752 174.900 -0.093 0.000 0.998 574 G CA -0.384 44.784 45.100 0.113 0.000 0.620 574 G HN 0.441 nan 8.290 nan 0.000 0.529 575 F N 1.102 121.074 119.950 0.037 0.000 2.411 575 F HA 0.568 5.095 4.527 0.000 0.000 0.352 575 F C 1.380 177.158 175.800 -0.037 0.000 1.123 575 F CA -0.883 57.121 58.000 0.007 0.000 1.044 575 F CB 1.662 40.665 39.000 0.006 0.000 1.135 575 F HN -0.181 nan 8.300 nan 0.000 0.461 576 K N 1.825 122.303 120.400 0.130 0.000 2.147 576 K HA -0.140 4.180 4.320 0.000 0.000 0.205 576 K C 0.771 177.557 176.600 0.309 0.000 1.049 576 K CA 1.387 57.789 56.287 0.191 0.000 0.936 576 K CB 0.057 32.672 32.500 0.192 0.000 0.722 576 K HN 0.703 nan 8.250 nan 0.000 0.446 577 N N -0.347 118.503 118.700 0.250 0.000 2.301 577 N HA 0.011 4.751 4.740 0.000 0.000 0.247 577 N C -0.748 174.850 175.510 0.148 0.000 1.347 577 N CA -0.316 52.940 53.050 0.343 0.000 0.844 577 N CB -0.115 38.651 38.487 0.464 0.000 1.332 577 N HN -0.066 nan 8.380 nan 0.000 0.494 578 L N 0.642 121.735 121.223 -0.217 0.000 2.333 578 L HA 0.735 5.075 4.340 0.000 0.000 0.280 578 L C -1.778 174.697 176.870 -0.659 0.000 1.004 578 L CA -0.540 54.160 54.840 -0.233 0.000 0.820 578 L CB 0.972 42.894 42.059 -0.228 0.000 1.247 578 L HN -0.028 nan 8.230 nan 0.000 0.416 579 F N 4.764 124.635 119.950 -0.133 0.000 2.576 579 F HA 0.657 5.184 4.527 0.000 0.000 0.313 579 F C -0.701 174.949 175.800 -0.250 0.000 1.078 579 F CA -0.680 57.220 58.000 -0.166 0.000 0.921 579 F CB 1.885 40.812 39.000 -0.123 0.000 1.232 579 F HN 0.197 nan 8.300 nan 0.000 0.459 580 L N 1.869 123.059 121.223 -0.055 0.000 2.346 580 L HA 0.889 5.229 4.340 0.000 0.000 0.276 580 L C 0.046 176.929 176.870 0.021 0.000 1.006 580 L CA -0.795 53.944 54.840 -0.168 0.000 0.817 580 L CB 1.902 43.721 42.059 -0.401 0.000 1.272 580 L HN 0.788 nan 8.230 nan 0.000 0.421 581 G N 0.298 109.123 108.800 0.042 0.000 2.481 581 G HA2 0.802 4.762 3.960 0.000 0.000 0.315 581 G HA3 0.802 4.762 3.960 0.000 0.000 0.315 581 G C -0.463 174.556 174.900 0.199 0.000 1.231 581 G CA -0.286 44.934 45.100 0.199 0.000 0.968 581 G HN 0.972 nan 8.290 nan 0.000 0.482 582 G N -1.411 107.495 108.800 0.177 0.000 2.353 582 G HA2 0.019 3.979 3.960 0.000 0.000 0.615 582 G HA3 0.019 3.979 3.960 0.000 0.000 0.615 582 G C 0.810 175.756 174.900 0.075 0.000 1.280 582 G CA 0.050 45.227 45.100 0.129 0.000 1.000 582 G HN 1.196 nan 8.290 nan 0.000 0.516 583 C N 0.704 120.027 119.300 0.037 0.000 2.419 583 C HA 0.198 4.658 4.460 0.000 0.000 0.283 583 C C 3.055 178.016 174.990 -0.048 0.000 1.373 583 C CA 1.851 60.868 59.018 -0.001 0.000 1.781 583 C CB -1.365 26.410 27.740 0.058 0.000 1.886 583 C HN 1.314 nan 8.230 nan 0.000 0.520 584 G N 1.151 109.832 108.800 -0.197 0.000 2.479 584 G HA2 -0.219 3.741 3.960 0.000 0.000 0.220 584 G HA3 -0.219 3.741 3.960 0.000 0.000 0.220 584 G C 1.416 175.957 174.900 -0.598 0.000 1.115 584 G CA 0.766 45.483 45.100 -0.638 0.000 0.757 584 G HN 0.554 nan 8.290 nan 0.000 0.560 585 N N 0.325 118.887 118.700 -0.231 0.000 2.331 585 N HA 0.027 4.767 4.740 0.000 0.000 0.180 585 N C 0.930 176.446 175.510 0.010 0.000 1.019 585 N CA 0.146 53.197 53.050 0.001 0.000 0.881 585 N CB 0.042 38.581 38.487 0.086 0.000 0.972 585 N HN 0.306 nan 8.380 nan 0.000 0.435 586 I N 3.056 123.630 120.570 0.006 0.000 2.517 586 I HA 0.031 4.201 4.170 0.000 0.000 0.285 586 I C -1.325 174.873 176.117 0.135 0.000 1.106 586 I CA -0.973 60.359 61.300 0.053 0.000 1.402 586 I CB 1.175 39.153 38.000 -0.036 0.000 1.399 586 I HN -0.067 nan 8.210 nan 0.000 0.535 587 P HA 0.054 nan 4.420 nan 0.000 0.264 587 P C 0.309 177.694 177.300 0.142 0.000 1.259 587 P CA 0.244 63.410 63.100 0.109 0.000 0.841 587 P CB 0.199 31.923 31.700 0.040 0.000 1.232 588 T N -2.191 112.481 114.554 0.197 0.000 2.897 588 T HA 0.675 5.025 4.350 0.000 0.000 0.278 588 T C 0.189 175.018 174.700 0.215 0.000 0.981 588 T CA -0.868 61.337 62.100 0.175 0.000 0.973 588 T CB 1.154 70.106 68.868 0.139 0.000 1.092 588 T HN 0.049 nan 8.240 nan 0.000 0.543 589 A N 1.837 124.716 122.820 0.099 0.000 2.310 589 A HA 0.605 4.925 4.320 0.000 0.000 0.300 589 A C -0.655 176.881 177.584 -0.079 0.000 1.269 589 A CA -0.847 51.194 52.037 0.006 0.000 0.909 589 A CB -0.914 18.112 19.000 0.043 0.000 1.144 589 A HN 0.877 nan 8.150 nan 0.000 0.540 590 Y N -0.334 119.874 120.300 -0.153 0.000 2.512 590 Y HA 0.721 5.271 4.550 0.000 0.000 0.348 590 Y C 0.685 176.453 175.900 -0.219 0.000 0.990 590 Y CA -0.699 57.124 58.100 -0.462 0.000 1.033 590 Y CB 1.425 39.403 38.460 -0.803 0.000 1.259 590 Y HN 0.381 nan 8.280 nan 0.000 0.461 591 G N 0.619 109.315 108.800 -0.174 0.000 2.724 591 G HA2 0.410 4.370 3.960 0.000 0.000 0.205 591 G HA3 0.410 4.370 3.960 0.000 0.000 0.205 591 G C 0.370 175.363 174.900 0.154 0.000 1.112 591 G CA 0.182 45.389 45.100 0.178 0.000 0.793 591 G HN 0.948 nan 8.290 nan 0.000 0.526 592 A N 0.749 123.482 122.820 -0.145 0.000 2.313 592 A HA 0.501 4.821 4.320 0.000 0.000 0.261 592 A C -0.093 177.397 177.584 -0.156 0.000 1.090 592 A CA -0.545 51.286 52.037 -0.343 0.000 0.807 592 A CB 0.068 18.843 19.000 -0.374 0.000 1.055 592 A HN 0.363 nan 8.150 nan 0.000 0.492 593 N N 2.004 120.485 118.700 -0.365 0.000 2.447 593 N HA 0.218 4.958 4.740 0.000 0.000 0.263 593 N C -2.029 173.386 175.510 -0.158 0.000 1.226 593 N CA -0.768 52.055 53.050 -0.378 0.000 0.906 593 N CB 0.437 38.780 38.487 -0.240 0.000 1.060 593 N HN 0.420 nan 8.380 nan 0.000 0.468 594 P HA -0.002 nan 4.420 nan 0.000 0.245 594 P C 0.419 177.607 177.300 -0.187 0.000 1.206 594 P CA 0.606 63.583 63.100 -0.205 0.000 0.781 594 P CB 0.333 31.871 31.700 -0.270 0.000 0.994 595 T N 0.864 115.387 114.554 -0.052 0.000 2.746 595 T HA -0.120 4.230 4.350 0.000 0.000 0.267 595 T C 1.758 176.533 174.700 0.126 0.000 1.039 595 T CA 0.892 63.022 62.100 0.049 0.000 1.142 595 T CB -0.770 68.161 68.868 0.105 0.000 0.866 595 T HN 0.015 nan 8.240 nan 0.000 0.444 596 L N 1.096 122.411 121.223 0.154 0.000 2.083 596 L HA -0.095 4.245 4.340 0.000 0.000 0.209 596 L C 2.527 179.477 176.870 0.134 0.000 1.083 596 L CA 1.729 56.709 54.840 0.234 0.000 0.752 596 L CB -1.040 41.142 42.059 0.203 0.000 0.899 596 L HN 0.193 nan 8.230 nan 0.000 0.433 597 T N -0.464 114.039 114.554 -0.085 0.000 2.708 597 T HA -0.154 4.196 4.350 0.000 0.000 0.266 597 T C 1.906 176.520 174.700 -0.143 0.000 1.037 597 T CA 1.311 63.266 62.100 -0.242 0.000 1.146 597 T CB -0.512 67.758 68.868 -0.997 0.000 0.865 597 T HN 0.513 nan 8.240 nan 0.000 0.435 598 A N 1.478 124.214 122.820 -0.140 0.000 1.940 598 A HA -0.084 4.236 4.320 0.000 0.000 0.219 598 A C 2.308 179.855 177.584 -0.061 0.000 1.176 598 A CA 1.879 53.873 52.037 -0.072 0.000 0.631 598 A CB -0.728 18.247 19.000 -0.042 0.000 0.814 598 A HN 0.540 nan 8.150 nan 0.000 0.446 599 M N -0.347 119.225 119.600 -0.046 0.000 2.175 599 M HA -0.113 4.367 4.480 0.000 0.000 0.264 599 M C 1.995 178.202 176.300 -0.154 0.000 1.063 599 M CA 1.920 57.163 55.300 -0.095 0.000 1.119 599 M CB -0.129 32.419 32.600 -0.087 0.000 1.377 599 M HN 0.371 nan 8.290 nan 0.000 0.415 600 S N 1.204 116.815 115.700 -0.147 0.000 2.382 600 S HA -0.105 4.365 4.470 0.000 0.000 0.228 600 S C 1.756 176.161 174.600 -0.324 0.000 1.027 600 S CA 1.242 59.286 58.200 -0.260 0.000 0.991 600 S CB -0.460 62.538 63.200 -0.337 0.000 0.823 600 S HN 0.514 nan 8.310 nan 0.000 0.469 601 L N 1.066 122.141 121.223 -0.247 0.000 2.056 601 L HA -0.106 4.234 4.340 0.000 0.000 0.207 601 L C 2.817 179.554 176.870 -0.222 0.000 1.078 601 L CA 1.135 55.835 54.840 -0.233 0.000 0.749 601 L CB -0.729 41.266 42.059 -0.108 0.000 0.901 601 L HN 0.329 nan 8.230 nan 0.000 0.433 602 A N 0.383 123.063 122.820 -0.232 0.000 1.933 602 A HA -0.189 4.131 4.320 0.000 0.000 0.218 602 A C 2.204 179.465 177.584 -0.539 0.000 1.175 602 A CA 1.527 53.305 52.037 -0.431 0.000 0.628 602 A CB -0.635 18.108 19.000 -0.428 0.000 0.814 602 A HN 0.352 nan 8.150 nan 0.000 0.444 603 I N -0.601 119.746 120.570 -0.372 0.000 2.179 603 I HA -0.272 3.898 4.170 0.000 0.000 0.242 603 I C 2.539 178.490 176.117 -0.276 0.000 1.088 603 I CA 1.907 63.022 61.300 -0.308 0.000 1.357 603 I CB -0.252 37.584 38.000 -0.274 0.000 1.051 603 I HN 0.373 nan 8.210 nan 0.000 0.409 604 K N 0.516 120.749 120.400 -0.278 0.000 2.063 604 K HA -0.227 4.093 4.320 0.000 0.000 0.208 604 K C 2.353 178.863 176.600 -0.150 0.000 1.048 604 K CA 1.821 57.975 56.287 -0.222 0.000 0.928 604 K CB -0.128 32.205 32.500 -0.278 0.000 0.713 604 K HN 0.126 nan 8.250 nan 0.000 0.442 605 S N -0.002 115.593 115.700 -0.175 0.000 2.359 605 S HA -0.178 4.292 4.470 0.000 0.000 0.224 605 S C 2.052 176.563 174.600 -0.148 0.000 1.035 605 S CA 1.511 59.652 58.200 -0.097 0.000 1.018 605 S CB -0.497 62.685 63.200 -0.029 0.000 0.876 605 S HN 0.581 nan 8.310 nan 0.000 0.448 606 C N 1.517 120.647 119.300 -0.284 0.000 2.411 606 C HA -0.025 4.435 4.460 0.000 0.000 0.279 606 C C 2.481 177.386 174.990 -0.141 0.000 1.288 606 C CA 0.781 59.645 59.018 -0.256 0.000 1.764 606 C CB -1.514 26.039 27.740 -0.313 0.000 1.974 606 C HN 0.680 nan 8.230 nan 0.000 0.498 607 E N -0.694 119.446 120.200 -0.100 0.000 2.110 607 E HA -0.243 4.107 4.350 0.000 0.000 0.193 607 E C 1.814 178.417 176.600 0.005 0.000 0.988 607 E CA 1.411 57.783 56.400 -0.047 0.000 0.804 607 E CB -0.277 29.392 29.700 -0.053 0.000 0.745 607 E HN 0.854 nan 8.360 nan 0.000 0.458 608 Y N 1.138 121.401 120.300 -0.062 0.000 2.163 608 Y HA -0.155 4.395 4.550 0.000 0.000 0.288 608 Y C 1.951 177.880 175.900 0.048 0.000 1.136 608 Y CA 1.309 59.416 58.100 0.011 0.000 1.147 608 Y CB -0.042 38.457 38.460 0.065 0.000 0.987 608 Y HN -0.079 nan 8.280 nan 0.000 0.509 609 I N 0.527 121.122 120.570 0.043 0.000 2.208 609 I HA -0.344 3.826 4.170 0.000 0.000 0.245 609 I C 2.216 178.362 176.117 0.048 0.000 1.097 609 I CA 1.703 63.010 61.300 0.012 0.000 1.363 609 I CB -0.414 37.382 38.000 -0.341 0.000 1.051 609 I HN 0.178 nan 8.210 nan 0.000 0.413 610 K N 0.292 120.676 120.400 -0.026 0.000 2.280 610 K HA -0.181 4.139 4.320 0.000 0.000 0.202 610 K C 1.893 178.538 176.600 0.076 0.000 1.047 610 K CA 1.095 57.444 56.287 0.103 0.000 0.942 610 K CB -0.101 32.448 32.500 0.081 0.000 0.739 610 K HN 0.478 nan 8.250 nan 0.000 0.457 611 Q N -0.406 119.360 119.800 -0.058 0.000 2.384 611 Q HA 0.093 4.433 4.340 0.000 0.000 0.207 611 Q C 0.910 176.784 176.000 -0.209 0.000 0.904 611 Q CA 0.273 56.005 55.803 -0.118 0.000 0.933 611 Q CB 0.578 29.234 28.738 -0.137 0.000 1.077 611 Q HN 0.247 nan 8.270 nan 0.000 0.522 612 N N -0.858 117.672 118.700 -0.283 0.000 2.159 612 N HA 0.165 4.905 4.740 0.000 0.000 0.217 612 N C -0.959 174.091 175.510 -0.766 0.000 1.223 612 N CA 0.317 53.052 53.050 -0.525 0.000 0.896 612 N CB 1.031 39.044 38.487 -0.790 0.000 1.064 612 N HN -0.009 nan 8.380 nan 0.000 0.518 613 F N -0.068 119.898 119.950 0.025 0.000 2.613 613 F HA 0.363 4.890 4.527 0.000 0.000 0.310 613 F C -0.051 175.880 175.800 0.219 0.000 1.085 613 F CA -0.701 57.374 58.000 0.125 0.000 0.945 613 F CB 1.898 40.982 39.000 0.140 0.000 1.298 613 F HN -0.396 nan 8.300 nan 0.000 0.455 614 T N 2.819 117.567 114.554 0.325 0.000 2.807 614 T HA 0.497 4.847 4.350 0.000 0.000 0.279 614 T C -2.705 171.997 174.700 0.005 0.000 0.993 614 T CA -1.511 60.656 62.100 0.112 0.000 0.970 614 T CB 1.710 70.600 68.868 0.038 0.000 0.950 614 T HN 0.106 nan 8.240 nan 0.000 0.441 615 P HA 0.179 nan 4.420 nan 0.000 0.269 615 P C -0.120 177.103 177.300 -0.127 0.000 1.209 615 P CA -0.490 62.376 63.100 -0.390 0.000 0.776 615 P CB 0.296 31.626 31.700 -0.617 0.000 0.876 616 S N 2.532 118.197 115.700 -0.058 0.000 2.579 616 S HA 0.319 4.789 4.470 0.000 0.000 0.275 616 S C -2.115 172.476 174.600 -0.016 0.000 1.345 616 S CA -1.047 57.139 58.200 -0.023 0.000 1.031 616 S CB -0.730 62.459 63.200 -0.018 0.000 0.892 616 S HN 0.323 nan 8.310 nan 0.000 0.529 617 P HA 0.114 nan 4.420 nan 0.000 0.271 617 P C -0.716 176.667 177.300 0.139 0.000 1.216 617 P CA -0.336 62.797 63.100 0.054 0.000 0.771 617 P CB 0.130 31.853 31.700 0.039 0.000 0.864 618 F N 3.370 123.301 119.950 -0.031 0.000 2.660 618 F HA 0.171 4.698 4.527 0.000 0.000 0.342 618 F C 0.909 176.698 175.800 -0.018 0.000 1.195 618 F CA -0.856 57.131 58.000 -0.021 0.000 1.300 618 F CB -1.110 37.880 39.000 -0.018 0.000 1.616 618 F HN 0.179 nan 8.300 nan 0.000 0.592 619 T N 0.000 114.695 114.554 0.235 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.167 62.100 0.113 0.000 1.349 619 T CB 0.000 68.910 68.868 0.070 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658