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 2wdx_1_A DATA FIRST_RESID 26 DATA SEQUENCE CLPPAGPVKV TPDDPRYLNL KLRGANSRFN GEPDYIHLVG STQQVADAVE DATA SEQUENCE ETVRTGKRVA VRSGGHCFED FVDNPDVKVI IDMSLLTEIA YDPSMNAFLI DATA SEQUENCE EPGNTLSEVY EKLYLGWNVT IPGGVCGGVG VGGHICGGGY GPLSRQFGSV DATA SEQUENCE VDYLYAVEVV VVNKQGKARV IVATRERDDP HHDLWWAHTG GGGGNFGVVT DATA SEQUENCE KYWMRVPEDV GRNPERLLPK PPATLLTSTV TFDWAGMTEA AFSRLLRNHG DATA SEQUENCE EWYERNSGPD SPYTGLWSQL MIGNEVPGMG ESGFMMPIQV DATRPDARRL DATA SEQUENCE LDAHIEAVID GVPPAEVPEP IEQRWLASTP GRGGRGPASK TKAGYLRKRL DATA SEQUENCE TDRQIQAVYE NMTHMDGIDY GAVWLIGYGG KVNTVDPAAT ALPQRDAILK DATA SEQUENCE VNYITGWANP GNEAKHLTWV RKLYADVYAE TGGVPVPNDV SDGAYINYPD DATA SEQUENCE SDLADPGLNT SGVPWHDLYY KGNHPRLRKV KAAYDPRNHF HHALSIRP 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 26 C HA 0.000 nan 4.460 nan 0.000 0.325 26 C C 0.000 175.006 174.990 0.027 0.000 1.270 26 C CA 0.000 59.037 59.018 0.031 0.000 1.963 26 C CB 0.000 27.760 27.740 0.034 0.000 2.134 27 L N 3.509 124.748 121.223 0.026 0.000 2.439 27 L HA 0.490 4.830 4.340 0.001 0.000 0.261 27 L C -1.701 175.183 176.870 0.023 0.000 1.153 27 L CA -1.126 53.727 54.840 0.023 0.000 0.808 27 L CB 0.541 42.613 42.059 0.022 0.000 1.126 27 L HN 0.472 nan 8.230 nan 0.000 0.460 28 P HA 0.236 nan 4.420 nan 0.000 0.274 28 P C -2.443 174.870 177.300 0.022 0.000 1.237 28 P CA -0.880 62.232 63.100 0.022 0.000 0.793 28 P CB -0.295 31.417 31.700 0.020 0.000 0.977 29 P HA 0.237 nan 4.420 nan 0.000 0.276 29 P C -0.889 176.425 177.300 0.024 0.000 1.252 29 P CA -0.526 62.587 63.100 0.023 0.000 0.802 29 P CB 0.458 32.171 31.700 0.021 0.000 1.035 30 A N 1.300 124.136 122.820 0.025 0.000 2.546 30 A HA 0.439 4.759 4.320 0.001 0.000 0.243 30 A C 1.072 178.676 177.584 0.034 0.000 1.063 30 A CA 0.433 52.486 52.037 0.028 0.000 0.757 30 A CB -0.815 18.202 19.000 0.028 0.000 0.991 30 A HN 0.681 nan 8.150 nan 0.000 0.503 31 G N 1.926 110.747 108.800 0.035 0.000 2.611 31 G HA2 0.510 4.471 3.960 0.001 0.000 0.273 31 G HA3 0.510 4.471 3.960 0.001 0.000 0.273 31 G C -2.476 172.460 174.900 0.058 0.000 1.305 31 G CA -1.084 44.040 45.100 0.040 0.000 1.010 31 G HN 0.632 nan 8.290 nan 0.000 0.509 32 P HA 0.300 nan 4.420 nan 0.000 0.279 32 P C -0.755 176.614 177.300 0.115 0.000 1.239 32 P CA -0.188 62.993 63.100 0.135 0.000 0.789 32 P CB 1.746 33.555 31.700 0.183 0.000 0.933 33 V N 3.058 123.053 119.914 0.134 0.000 2.577 33 V HA 0.420 4.540 4.120 0.001 0.000 0.303 33 V C -0.598 175.479 176.094 -0.029 0.000 1.042 33 V CA -1.001 61.325 62.300 0.044 0.000 0.872 33 V CB 1.718 33.564 31.823 0.038 0.000 0.998 33 V HN 0.395 nan 8.190 nan 0.000 0.423 34 K N 4.977 125.267 120.400 -0.184 0.000 2.264 34 K HA 0.601 4.922 4.320 0.001 0.000 0.277 34 K C -1.023 175.524 176.600 -0.088 0.000 1.067 34 K CA -0.376 55.721 56.287 -0.317 0.000 0.900 34 K CB 1.348 33.515 32.500 -0.555 0.000 1.124 34 K HN 0.645 nan 8.250 nan 0.000 0.469 35 V N 5.313 125.264 119.914 0.061 0.000 2.320 35 V HA 0.141 4.262 4.120 0.001 0.000 0.265 35 V C 0.287 176.520 176.094 0.233 0.000 1.048 35 V CA -0.663 61.721 62.300 0.139 0.000 0.865 35 V CB 0.605 32.532 31.823 0.173 0.000 1.043 35 V HN 0.927 nan 8.190 nan 0.000 0.474 36 T N 3.519 118.127 114.554 0.090 0.000 2.847 36 T HA 0.345 4.696 4.350 0.001 0.000 0.279 36 T C -1.814 172.710 174.700 -0.294 0.000 0.984 36 T CA -1.958 60.129 62.100 -0.021 0.000 0.988 36 T CB 1.334 70.164 68.868 -0.063 0.000 1.040 36 T HN 0.314 nan 8.240 nan 0.000 0.528 37 P HA -0.103 nan 4.420 nan 0.000 0.219 37 P C 1.213 178.240 177.300 -0.454 0.000 1.146 37 P CA 1.015 63.431 63.100 -1.139 0.000 0.808 37 P CB -0.022 31.247 31.700 -0.718 0.000 0.779 38 D N -2.096 118.163 120.400 -0.236 0.000 2.289 38 D HA -0.073 4.568 4.640 0.001 0.000 0.207 38 D C 0.611 176.883 176.300 -0.046 0.000 0.966 38 D CA 0.270 54.205 54.000 -0.108 0.000 0.868 38 D CB -0.612 40.139 40.800 -0.082 0.000 0.943 38 D HN 0.138 nan 8.370 nan 0.000 0.514 39 D N 2.304 122.686 120.400 -0.030 0.000 2.424 39 D HA -0.007 4.634 4.640 0.001 0.000 0.244 39 D C -1.208 175.135 176.300 0.073 0.000 1.134 39 D CA -1.408 52.608 54.000 0.027 0.000 0.881 39 D CB 2.131 42.960 40.800 0.048 0.000 1.191 39 D HN -0.053 nan 8.370 nan 0.000 0.445 40 P HA -0.080 nan 4.420 nan 0.000 0.222 40 P C 0.826 178.171 177.300 0.076 0.000 1.147 40 P CA 0.814 63.949 63.100 0.059 0.000 0.790 40 P CB 0.289 32.010 31.700 0.035 0.000 0.780 41 R N -2.177 118.375 120.500 0.086 0.000 2.297 41 R HA -0.003 4.338 4.340 0.001 0.000 0.197 41 R C 2.240 178.597 176.300 0.095 0.000 0.943 41 R CA 0.099 56.242 56.100 0.073 0.000 1.038 41 R CB -0.724 29.612 30.300 0.060 0.000 0.957 41 R HN 0.159 nan 8.270 nan 0.000 0.484 42 Y N 1.563 121.870 120.300 0.012 0.000 2.097 42 Y HA -0.253 4.298 4.550 0.001 0.000 0.282 42 Y C 1.755 177.661 175.900 0.009 0.000 1.152 42 Y CA 1.660 59.769 58.100 0.015 0.000 1.136 42 Y CB -0.169 38.301 38.460 0.017 0.000 0.975 42 Y HN -0.053 nan 8.280 nan 0.000 0.498 43 L N -0.038 121.210 121.223 0.041 0.000 2.056 43 L HA -0.246 4.094 4.340 0.001 0.000 0.207 43 L C 2.176 178.982 176.870 -0.107 0.000 1.078 43 L CA 1.337 56.143 54.840 -0.057 0.000 0.749 43 L CB -0.675 41.416 42.059 0.052 0.000 0.901 43 L HN 0.237 nan 8.230 nan 0.000 0.433 44 N N -0.122 118.543 118.700 -0.059 0.000 2.061 44 N HA -0.185 4.555 4.740 0.001 0.000 0.193 44 N C 1.698 177.153 175.510 -0.092 0.000 1.030 44 N CA 1.230 54.244 53.050 -0.060 0.000 0.856 44 N CB -0.439 38.031 38.487 -0.029 0.000 1.023 44 N HN 0.081 nan 8.380 nan 0.000 0.424 45 L N 1.409 122.564 121.223 -0.113 0.000 2.083 45 L HA -0.061 4.279 4.340 0.001 0.000 0.209 45 L C 2.146 178.902 176.870 -0.191 0.000 1.083 45 L CA 1.425 56.188 54.840 -0.129 0.000 0.752 45 L CB -1.172 40.823 42.059 -0.107 0.000 0.899 45 L HN 0.264 nan 8.230 nan 0.000 0.433 46 K N -0.310 119.900 120.400 -0.315 0.000 2.148 46 K HA -0.087 4.234 4.320 0.001 0.000 0.204 46 K C 1.420 177.911 176.600 -0.181 0.000 1.050 46 K CA 0.903 56.994 56.287 -0.327 0.000 0.942 46 K CB 0.122 32.308 32.500 -0.524 0.000 0.724 46 K HN 0.270 nan 8.250 nan 0.000 0.446 47 L N 1.187 122.322 121.223 -0.147 0.000 2.965 47 L HA 0.201 4.542 4.340 0.001 0.000 0.254 47 L C 1.479 178.290 176.870 -0.099 0.000 1.220 47 L CA -0.264 54.513 54.840 -0.105 0.000 1.023 47 L CB 0.311 42.319 42.059 -0.086 0.000 1.355 47 L HN 0.113 nan 8.230 nan 0.000 0.545 48 R N -0.162 120.277 120.500 -0.101 0.000 2.310 48 R HA 0.146 4.487 4.340 0.001 0.000 0.202 48 R C 0.914 177.143 176.300 -0.118 0.000 0.933 48 R CA 0.213 56.256 56.100 -0.095 0.000 1.054 48 R CB -0.146 30.109 30.300 -0.075 0.000 0.985 48 R HN 0.134 nan 8.270 nan 0.000 0.489 49 G N 0.248 108.975 108.800 -0.122 0.000 2.491 49 G HA2 0.250 4.211 3.960 0.001 0.000 0.238 49 G HA3 0.250 4.211 3.960 0.001 0.000 0.238 49 G C 0.752 175.524 174.900 -0.213 0.000 1.277 49 G CA -0.009 44.997 45.100 -0.156 0.000 0.851 49 G HN 0.307 nan 8.290 nan 0.000 0.573 50 A N 1.741 124.349 122.820 -0.354 0.000 2.014 50 A HA 0.022 4.343 4.320 0.001 0.000 0.218 50 A C 1.368 178.786 177.584 -0.277 0.000 1.163 50 A CA 0.850 52.630 52.037 -0.427 0.000 0.652 50 A CB -0.194 18.277 19.000 -0.882 0.000 0.808 50 A HN 0.700 nan 8.150 nan 0.000 0.449 51 N N 0.102 118.681 118.700 -0.201 0.000 2.501 51 N HA 0.217 4.958 4.740 0.001 0.000 0.245 51 N C 0.839 176.216 175.510 -0.221 0.000 0.974 51 N CA 0.350 53.288 53.050 -0.187 0.000 0.941 51 N CB 0.796 39.248 38.487 -0.058 0.000 1.122 51 N HN 0.220 nan 8.380 nan 0.000 0.507 52 S N 3.129 118.665 115.700 -0.273 0.000 2.547 52 S HA -0.055 4.415 4.470 0.001 0.000 0.235 52 S C 1.581 176.010 174.600 -0.286 0.000 0.980 52 S CA 0.186 58.245 58.200 -0.235 0.000 0.941 52 S CB -0.051 63.027 63.200 -0.203 0.000 0.763 52 S HN 0.611 nan 8.310 nan 0.000 0.532 53 R N 0.269 120.467 120.500 -0.504 0.000 2.105 53 R HA 0.047 4.388 4.340 0.001 0.000 0.239 53 R C -0.299 175.725 176.300 -0.461 0.000 1.135 53 R CA 0.918 56.678 56.100 -0.566 0.000 0.967 53 R CB -0.237 29.480 30.300 -0.971 0.000 0.861 53 R HN 0.517 nan 8.270 nan 0.000 0.442 54 F N 0.782 120.706 119.950 -0.043 0.000 2.415 54 F HA 0.316 4.843 4.527 0.001 0.000 0.348 54 F C -0.171 175.597 175.800 -0.054 0.000 1.119 54 F CA -1.099 56.874 58.000 -0.046 0.000 1.069 54 F CB 1.233 40.189 39.000 -0.073 0.000 1.124 54 F HN -0.174 nan 8.300 nan 0.000 0.472 55 N N 0.757 119.540 118.700 0.137 0.000 2.229 55 N HA 0.758 5.498 4.740 0.001 0.000 0.298 55 N C -0.556 174.985 175.510 0.052 0.000 1.114 55 N CA -0.826 52.259 53.050 0.058 0.000 0.776 55 N CB 2.301 40.805 38.487 0.028 0.000 1.501 55 N HN 0.771 nan 8.380 nan 0.000 0.474 56 G N -0.395 108.417 108.800 0.021 0.000 2.733 56 G HA2 0.575 4.536 3.960 0.001 0.000 0.288 56 G HA3 0.575 4.536 3.960 0.001 0.000 0.288 56 G C -1.322 173.592 174.900 0.025 0.000 1.373 56 G CA -0.327 44.784 45.100 0.018 0.000 0.895 56 G HN 0.429 nan 8.290 nan 0.000 0.479 57 E N 0.984 121.211 120.200 0.045 0.000 3.132 57 E HA 0.352 4.703 4.350 0.001 0.000 0.241 57 E C -2.364 174.303 176.600 0.112 0.000 1.196 57 E CA -1.410 55.053 56.400 0.104 0.000 0.869 57 E CB 1.466 31.227 29.700 0.102 0.000 1.387 57 E HN 0.309 nan 8.360 nan 0.000 0.393 58 P HA 0.081 nan 4.420 nan 0.000 0.269 58 P C 0.056 177.433 177.300 0.128 0.000 1.215 58 P CA -0.135 63.001 63.100 0.061 0.000 0.780 58 P CB 1.126 32.827 31.700 0.002 0.000 0.898 59 D N 0.436 120.848 120.400 0.020 0.000 2.097 59 D HA -0.097 4.544 4.640 0.001 0.000 0.195 59 D C 0.684 177.102 176.300 0.196 0.000 0.989 59 D CA 2.078 56.123 54.000 0.074 0.000 0.827 59 D CB -0.277 40.568 40.800 0.075 0.000 0.966 59 D HN 0.596 nan 8.370 nan 0.000 0.456 60 Y N -2.132 118.237 120.300 0.114 0.000 2.625 60 Y HA 0.606 5.156 4.550 0.001 0.000 0.338 60 Y C -1.221 174.768 175.900 0.148 0.000 1.123 60 Y CA -1.421 56.762 58.100 0.138 0.000 1.046 60 Y CB 0.946 39.420 38.460 0.023 0.000 1.299 60 Y HN -0.325 nan 8.280 nan 0.000 0.464 61 I N 2.110 122.869 120.570 0.314 0.000 2.389 61 I HA 0.263 4.434 4.170 0.001 0.000 0.288 61 I C -0.999 175.289 176.117 0.285 0.000 0.999 61 I CA -0.557 60.856 61.300 0.188 0.000 1.129 61 I CB 1.399 39.445 38.000 0.077 0.000 1.288 61 I HN 0.765 nan 8.210 nan 0.000 0.444 62 H N 6.759 125.962 119.070 0.223 0.000 2.641 62 H HA 0.460 5.017 4.556 0.001 0.000 0.295 62 H C -0.759 174.644 175.328 0.126 0.000 1.070 62 H CA -0.682 55.507 56.048 0.235 0.000 1.257 62 H CB 0.771 30.704 29.762 0.286 0.000 1.393 62 H HN 0.455 nan 8.280 nan 0.000 0.464 63 L N 6.116 127.521 121.223 0.303 0.000 2.331 63 L HA 0.234 4.575 4.340 0.001 0.000 0.278 63 L C -0.298 176.689 176.870 0.195 0.000 1.106 63 L CA -0.625 54.328 54.840 0.189 0.000 0.824 63 L CB 0.843 42.975 42.059 0.121 0.000 1.142 63 L HN 0.395 nan 8.230 nan 0.000 0.443 64 V N -0.412 119.563 119.914 0.101 0.000 2.680 64 V HA 0.788 4.909 4.120 0.001 0.000 0.309 64 V C 0.335 176.449 176.094 0.033 0.000 1.052 64 V CA -0.273 62.057 62.300 0.050 0.000 0.908 64 V CB 1.521 33.337 31.823 -0.013 0.000 1.001 64 V HN 0.767 nan 8.190 nan 0.000 0.431 65 G N 1.996 110.813 108.800 0.028 0.000 3.079 65 G HA2 0.526 4.487 3.960 0.001 0.000 0.233 65 G HA3 0.526 4.487 3.960 0.001 0.000 0.233 65 G C 0.336 175.243 174.900 0.012 0.000 1.062 65 G CA 0.620 45.734 45.100 0.023 0.000 0.809 65 G HN 1.392 nan 8.290 nan 0.000 0.535 66 S N -1.981 113.722 115.700 0.005 0.000 2.625 66 S HA 0.435 4.906 4.470 0.001 0.000 0.271 66 S C 0.836 175.430 174.600 -0.010 0.000 1.161 66 S CA 0.372 58.572 58.200 -0.001 0.000 0.820 66 S CB 1.192 64.397 63.200 0.008 0.000 1.137 66 S HN -0.113 nan 8.310 nan 0.000 0.470 67 T N 1.117 115.664 114.554 -0.013 0.000 2.746 67 T HA -0.138 4.213 4.350 0.001 0.000 0.267 67 T C 1.766 176.461 174.700 -0.008 0.000 1.039 67 T CA 2.069 64.159 62.100 -0.017 0.000 1.142 67 T CB -0.542 68.319 68.868 -0.012 0.000 0.866 67 T HN 0.666 nan 8.240 nan 0.000 0.444 68 Q N 1.451 121.252 119.800 0.002 0.000 2.096 68 Q HA -0.135 4.205 4.340 0.001 0.000 0.204 68 Q C 2.281 178.279 176.000 -0.002 0.000 0.982 68 Q CA 1.709 57.515 55.803 0.005 0.000 0.850 68 Q CB -0.427 28.319 28.738 0.012 0.000 0.901 68 Q HN 0.594 nan 8.270 nan 0.000 0.422 69 Q N -1.047 118.749 119.800 -0.007 0.000 2.135 69 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 69 Q C 2.058 178.016 176.000 -0.071 0.000 0.981 69 Q CA 1.681 57.469 55.803 -0.025 0.000 0.856 69 Q CB -0.010 28.721 28.738 -0.010 0.000 0.902 69 Q HN 0.288 nan 8.270 nan 0.000 0.425 70 V N 0.663 120.547 119.914 -0.050 0.000 2.307 70 V HA -0.255 3.866 4.120 0.001 0.000 0.245 70 V C 2.258 178.339 176.094 -0.021 0.000 1.045 70 V CA 1.712 63.983 62.300 -0.049 0.000 1.024 70 V CB -1.000 30.807 31.823 -0.026 0.000 0.651 70 V HN 0.392 nan 8.190 nan 0.000 0.449 71 A N 0.208 123.025 122.820 -0.004 0.000 1.883 71 A HA -0.281 4.040 4.320 0.001 0.000 0.217 71 A C 1.986 179.576 177.584 0.010 0.000 1.186 71 A CA 2.191 54.237 52.037 0.015 0.000 0.624 71 A CB -0.744 18.265 19.000 0.016 0.000 0.822 71 A HN 0.542 nan 8.150 nan 0.000 0.444 72 D N 0.161 120.559 120.400 -0.003 0.000 2.106 72 D HA -0.136 4.505 4.640 0.001 0.000 0.191 72 D C 2.280 178.580 176.300 -0.000 0.000 0.997 72 D CA 1.824 55.826 54.000 0.004 0.000 0.834 72 D CB -0.697 40.109 40.800 0.010 0.000 0.956 72 D HN 0.429 nan 8.370 nan 0.000 0.448 73 A N 0.694 123.461 122.820 -0.089 0.000 1.892 73 A HA -0.191 4.129 4.320 0.001 0.000 0.218 73 A C 2.606 180.213 177.584 0.038 0.000 1.188 73 A CA 1.807 53.759 52.037 -0.141 0.000 0.631 73 A CB -0.921 17.789 19.000 -0.483 0.000 0.822 73 A HN 0.166 nan 8.150 nan 0.000 0.447 74 V N -0.212 119.728 119.914 0.044 0.000 2.295 74 V HA -0.274 3.847 4.120 0.001 0.000 0.246 74 V C 2.431 178.527 176.094 0.002 0.000 1.049 74 V CA 2.322 64.673 62.300 0.085 0.000 1.024 74 V CB -0.826 31.090 31.823 0.154 0.000 0.648 74 V HN 0.650 nan 8.190 nan 0.000 0.447 75 E N -0.480 119.720 120.200 -0.001 0.000 2.160 75 E HA -0.288 4.063 4.350 0.001 0.000 0.195 75 E C 2.248 178.853 176.600 0.008 0.000 0.991 75 E CA 1.440 57.827 56.400 -0.023 0.000 0.810 75 E CB -0.023 29.677 29.700 -0.001 0.000 0.742 75 E HN 0.719 nan 8.360 nan 0.000 0.466 76 E N -0.058 120.177 120.200 0.059 0.000 2.107 76 E HA -0.143 4.208 4.350 0.001 0.000 0.191 76 E C 1.995 178.675 176.600 0.133 0.000 0.982 76 E CA 1.671 58.135 56.400 0.106 0.000 0.809 76 E CB 0.077 29.877 29.700 0.167 0.000 0.756 76 E HN 0.261 nan 8.360 nan 0.000 0.459 77 T N -1.897 112.746 114.554 0.149 0.000 2.995 77 T HA -0.029 4.322 4.350 0.001 0.000 0.269 77 T C 1.850 176.661 174.700 0.185 0.000 1.091 77 T CA 0.880 63.083 62.100 0.171 0.000 1.128 77 T CB -0.090 68.889 68.868 0.185 0.000 0.891 77 T HN 0.002 nan 8.240 nan 0.000 0.492 78 V N 1.662 121.600 119.914 0.039 0.000 2.255 78 V HA -0.063 4.058 4.120 0.001 0.000 0.243 78 V C 2.940 179.045 176.094 0.019 0.000 1.038 78 V CA 1.836 64.101 62.300 -0.059 0.000 1.008 78 V CB -0.775 30.896 31.823 -0.253 0.000 0.645 78 V HN 0.432 nan 8.190 nan 0.000 0.449 79 R N 0.632 121.141 120.500 0.016 0.000 2.134 79 R HA -0.262 4.079 4.340 0.001 0.000 0.248 79 R C 2.210 178.538 176.300 0.047 0.000 1.143 79 R CA 2.538 58.656 56.100 0.030 0.000 0.957 79 R CB -0.561 29.761 30.300 0.036 0.000 0.867 79 R HN 0.708 nan 8.270 nan 0.000 0.441 80 T N -3.884 110.712 114.554 0.070 0.000 3.100 80 T HA 0.200 4.551 4.350 0.001 0.000 0.253 80 T C 1.288 176.028 174.700 0.067 0.000 1.118 80 T CA 0.567 62.712 62.100 0.075 0.000 1.058 80 T CB 0.537 69.469 68.868 0.107 0.000 0.953 80 T HN 0.500 nan 8.240 nan 0.000 0.515 81 G N 1.669 110.513 108.800 0.072 0.000 2.155 81 G HA2 -0.274 3.687 3.960 0.001 0.000 0.257 81 G HA3 -0.274 3.687 3.960 0.001 0.000 0.257 81 G C -0.030 174.895 174.900 0.042 0.000 0.983 81 G CA 0.166 45.303 45.100 0.062 0.000 0.676 81 G HN 0.632 nan 8.290 nan 0.000 0.528 82 K N 0.360 120.787 120.400 0.044 0.000 2.297 82 K HA 0.322 4.643 4.320 0.001 0.000 0.286 82 K C 0.820 177.380 176.600 -0.067 0.000 1.053 82 K CA -0.697 55.589 56.287 -0.002 0.000 0.940 82 K CB 0.808 33.311 32.500 0.005 0.000 1.019 82 K HN 0.323 nan 8.250 nan 0.000 0.475 83 R N 2.434 122.876 120.500 -0.097 0.000 2.522 83 R HA 0.070 4.411 4.340 0.001 0.000 0.284 83 R C -0.718 175.457 176.300 -0.209 0.000 1.032 83 R CA -0.058 55.936 56.100 -0.176 0.000 1.049 83 R CB 0.504 30.729 30.300 -0.125 0.000 0.956 83 R HN 0.356 nan 8.270 nan 0.000 0.422 84 V N 3.769 123.497 119.914 -0.310 0.000 2.667 84 V HA 0.862 4.983 4.120 0.001 0.000 0.308 84 V C -0.958 175.035 176.094 -0.168 0.000 1.048 84 V CA -0.076 62.096 62.300 -0.213 0.000 0.928 84 V CB 1.689 33.407 31.823 -0.174 0.000 1.004 84 V HN 1.025 nan 8.190 nan 0.000 0.444 85 A N 4.967 127.746 122.820 -0.068 0.000 2.486 85 A HA 0.804 5.125 4.320 0.001 0.000 0.300 85 A C -1.158 176.447 177.584 0.035 0.000 1.048 85 A CA -0.536 51.496 52.037 -0.008 0.000 0.696 85 A CB 1.911 20.889 19.000 -0.036 0.000 1.278 85 A HN 0.867 nan 8.150 nan 0.000 0.405 86 V N 1.893 121.850 119.914 0.072 0.000 2.546 86 V HA 0.514 4.634 4.120 0.001 0.000 0.284 86 V C 0.565 176.674 176.094 0.024 0.000 1.050 86 V CA -0.368 61.966 62.300 0.057 0.000 0.981 86 V CB 1.237 33.099 31.823 0.064 0.000 0.990 86 V HN 0.865 nan 8.190 nan 0.000 0.474 87 R N 2.649 123.158 120.500 0.015 0.000 2.439 87 R HA 0.528 4.869 4.340 0.001 0.000 0.310 87 R C 0.076 176.382 176.300 0.009 0.000 0.955 87 R CA -0.191 55.910 56.100 0.000 0.000 0.853 87 R CB 1.842 32.130 30.300 -0.021 0.000 1.171 87 R HN 0.863 nan 8.270 nan 0.000 0.449 88 S N 1.816 117.525 115.700 0.014 0.000 2.696 88 S HA 0.140 4.611 4.470 0.001 0.000 0.172 88 S C 1.340 175.948 174.600 0.013 0.000 0.767 88 S CA 0.447 58.660 58.200 0.021 0.000 0.856 88 S CB 0.050 63.276 63.200 0.043 0.000 0.782 88 S HN 0.801 nan 8.310 nan 0.000 0.582 89 G N -0.443 108.371 108.800 0.023 0.000 2.939 89 G HA2 0.391 4.352 3.960 0.001 0.000 0.210 89 G HA3 0.391 4.352 3.960 0.001 0.000 0.210 89 G C 0.930 175.857 174.900 0.045 0.000 1.160 89 G CA 0.507 45.632 45.100 0.042 0.000 0.770 89 G HN 1.017 nan 8.290 nan 0.000 0.543 90 G N -0.249 108.542 108.800 -0.014 0.000 2.155 90 G HA2 -0.293 3.668 3.960 0.001 0.000 0.257 90 G HA3 -0.293 3.668 3.960 0.001 0.000 0.257 90 G C 0.809 175.591 174.900 -0.196 0.000 0.983 90 G CA 0.560 45.601 45.100 -0.097 0.000 0.676 90 G HN 0.573 nan 8.290 nan 0.000 0.528 91 H N -0.881 118.085 119.070 -0.173 0.000 2.539 91 H HA 0.150 4.706 4.556 0.001 0.000 0.269 91 H C 1.799 176.864 175.328 -0.438 0.000 0.980 91 H CA 0.372 56.250 56.048 -0.284 0.000 1.152 91 H CB -0.006 29.602 29.762 -0.256 0.000 1.407 91 H HN 0.492 nan 8.280 nan 0.000 0.564 92 C N 1.337 120.479 119.300 -0.263 0.000 2.275 92 C HA -0.229 4.232 4.460 0.001 0.000 0.391 92 C C 1.672 176.412 174.990 -0.415 0.000 1.503 92 C CA 0.268 59.076 59.018 -0.349 0.000 1.502 92 C CB -1.281 26.239 27.740 -0.367 0.000 2.529 92 C HN 0.396 nan 8.230 nan 0.000 0.588 93 F N 1.638 121.467 119.950 -0.203 0.000 2.743 93 F HA 0.217 4.745 4.527 0.001 0.000 0.297 93 F C 1.567 177.242 175.800 -0.209 0.000 1.131 93 F CA 0.733 58.677 58.000 -0.094 0.000 1.426 93 F CB -0.119 38.859 39.000 -0.036 0.000 1.116 93 F HN 0.602 nan 8.300 nan 0.000 0.583 94 E N 0.114 119.953 120.200 -0.602 0.000 2.281 94 E HA 0.112 4.462 4.350 0.001 0.000 0.257 94 E C -0.051 175.604 176.600 -1.576 0.000 0.971 94 E CA -0.209 55.550 56.400 -1.067 0.000 0.839 94 E CB 0.878 29.744 29.700 -1.389 0.000 1.238 94 E HN 0.032 nan 8.360 nan 0.000 0.412 95 D N 0.297 119.834 120.400 -1.439 0.000 2.504 95 D HA -0.028 4.613 4.640 0.001 0.000 0.243 95 D C 0.719 176.805 176.300 -0.356 0.000 1.203 95 D CA 0.012 53.379 54.000 -1.054 0.000 0.847 95 D CB -0.481 40.010 40.800 -0.516 0.000 0.973 95 D HN 0.104 nan 8.370 nan 0.000 0.490 96 F N 0.158 119.828 119.950 -0.467 0.000 2.269 96 F HA -0.079 4.449 4.527 0.001 0.000 0.301 96 F C 2.115 177.766 175.800 -0.249 0.000 1.082 96 F CA 0.239 58.015 58.000 -0.374 0.000 1.360 96 F CB -0.450 38.177 39.000 -0.623 0.000 1.041 96 F HN 0.067 nan 8.300 nan 0.000 0.512 97 V N -1.825 118.047 119.914 -0.070 0.000 2.911 97 V HA 0.065 4.186 4.120 0.001 0.000 0.237 97 V C 0.051 176.105 176.094 -0.067 0.000 1.156 97 V CA 0.371 62.633 62.300 -0.064 0.000 1.180 97 V CB 0.079 31.860 31.823 -0.071 0.000 0.932 97 V HN -0.083 nan 8.190 nan 0.000 0.483 98 D N 3.668 124.019 120.400 -0.083 0.000 2.456 98 D HA 0.342 4.983 4.640 0.001 0.000 0.219 98 D C -0.509 175.793 176.300 0.003 0.000 1.126 98 D CA 0.246 54.232 54.000 -0.023 0.000 0.890 98 D CB 0.169 40.989 40.800 0.033 0.000 1.025 98 D HN 0.687 nan 8.370 nan 0.000 0.511 99 N N 0.756 119.458 118.700 0.003 0.000 2.710 99 N HA 0.199 4.940 4.740 0.001 0.000 0.257 99 N C -2.657 172.865 175.510 0.021 0.000 1.327 99 N CA -1.435 51.631 53.050 0.026 0.000 0.861 99 N CB 2.252 40.747 38.487 0.014 0.000 1.532 99 N HN -0.293 nan 8.380 nan 0.000 0.499 100 P HA -0.162 nan 4.420 nan 0.000 0.218 100 P C 0.264 177.573 177.300 0.016 0.000 1.150 100 P CA 1.484 64.600 63.100 0.027 0.000 0.841 100 P CB 0.129 31.849 31.700 0.033 0.000 0.784 101 D N -1.854 118.553 120.400 0.011 0.000 2.348 101 D HA 0.016 4.657 4.640 0.001 0.000 0.211 101 D C 0.360 176.646 176.300 -0.023 0.000 0.998 101 D CA 0.379 54.381 54.000 0.003 0.000 0.873 101 D CB 0.036 40.846 40.800 0.017 0.000 0.925 101 D HN 0.037 nan 8.370 nan 0.000 0.524 102 V N 2.148 122.041 119.914 -0.035 0.000 2.432 102 V HA 0.067 4.188 4.120 0.001 0.000 0.271 102 V C 1.133 177.189 176.094 -0.063 0.000 1.046 102 V CA 0.038 62.298 62.300 -0.066 0.000 0.945 102 V CB 1.725 33.507 31.823 -0.068 0.000 0.992 102 V HN -0.116 nan 8.190 nan 0.000 0.471 103 K N 3.377 123.723 120.400 -0.091 0.000 2.370 103 K HA 0.304 4.625 4.320 0.001 0.000 0.194 103 K C -0.133 176.342 176.600 -0.208 0.000 1.070 103 K CA 0.467 56.693 56.287 -0.102 0.000 0.998 103 K CB 1.026 33.481 32.500 -0.076 0.000 0.911 103 K HN 0.446 nan 8.250 nan 0.000 0.533 104 V N 3.082 122.857 119.914 -0.232 0.000 2.577 104 V HA 0.342 4.463 4.120 0.001 0.000 0.303 104 V C -0.800 175.199 176.094 -0.157 0.000 1.042 104 V CA -0.949 61.149 62.300 -0.337 0.000 0.872 104 V CB 2.326 33.907 31.823 -0.404 0.000 0.998 104 V HN -0.050 nan 8.190 nan 0.000 0.423 105 I N 5.398 125.904 120.570 -0.106 0.000 2.315 105 I HA 0.425 4.596 4.170 0.001 0.000 0.291 105 I C 0.127 176.269 176.117 0.042 0.000 1.006 105 I CA -0.665 60.618 61.300 -0.029 0.000 1.265 105 I CB 1.440 39.422 38.000 -0.029 0.000 1.387 105 I HN 0.454 nan 8.210 nan 0.000 0.475 106 I N 5.482 126.089 120.570 0.061 0.000 2.291 106 I HA 0.135 4.306 4.170 0.001 0.000 0.292 106 I C 0.316 176.472 176.117 0.065 0.000 1.064 106 I CA -0.150 61.206 61.300 0.092 0.000 1.269 106 I CB 0.569 38.619 38.000 0.083 0.000 1.418 106 I HN 0.469 nan 8.210 nan 0.000 0.485 107 D N 7.731 128.176 120.400 0.076 0.000 2.233 107 D HA 0.230 4.871 4.640 0.001 0.000 0.240 107 D C 0.368 176.693 176.300 0.042 0.000 1.074 107 D CA -0.428 53.601 54.000 0.048 0.000 0.838 107 D CB 1.486 42.315 40.800 0.048 0.000 1.124 107 D HN 0.365 nan 8.370 nan 0.000 0.475 108 M N 2.438 122.054 119.600 0.026 0.000 2.453 108 M HA 0.036 4.516 4.480 0.001 0.000 0.239 108 M C 1.700 178.009 176.300 0.015 0.000 1.151 108 M CA -0.103 55.208 55.300 0.018 0.000 0.989 108 M CB -0.521 32.086 32.600 0.012 0.000 1.548 108 M HN 0.192 nan 8.290 nan 0.000 0.479 109 S N 1.483 117.193 115.700 0.017 0.000 2.407 109 S HA -0.106 4.365 4.470 0.001 0.000 0.235 109 S C 1.817 176.425 174.600 0.014 0.000 1.036 109 S CA 1.256 59.463 58.200 0.013 0.000 1.013 109 S CB -0.251 62.957 63.200 0.013 0.000 0.820 109 S HN 0.535 nan 8.310 nan 0.000 0.476 110 L N 0.406 121.640 121.223 0.019 0.000 2.558 110 L HA 0.196 4.537 4.340 0.001 0.000 0.225 110 L C 0.159 177.037 176.870 0.013 0.000 1.128 110 L CA 0.263 55.114 54.840 0.019 0.000 0.868 110 L CB -0.188 41.887 42.059 0.027 0.000 1.006 110 L HN 0.186 nan 8.230 nan 0.000 0.454 111 L N 1.357 122.583 121.223 0.006 0.000 2.352 111 L HA 0.159 4.500 4.340 0.001 0.000 0.272 111 L C 0.564 177.431 176.870 -0.004 0.000 1.109 111 L CA -0.034 54.804 54.840 -0.004 0.000 0.952 111 L CB 0.257 42.305 42.059 -0.018 0.000 1.314 111 L HN 0.111 nan 8.230 nan 0.000 0.427 112 T N -3.107 111.449 114.554 0.003 0.000 3.442 112 T HA 0.155 4.506 4.350 0.001 0.000 0.295 112 T C 0.046 174.759 174.700 0.020 0.000 1.007 112 T CA -0.633 61.472 62.100 0.008 0.000 0.962 112 T CB 0.193 69.067 68.868 0.011 0.000 1.187 112 T HN 0.242 nan 8.240 nan 0.000 0.490 113 E N 1.728 121.937 120.200 0.015 0.000 2.360 113 E HA 0.525 4.876 4.350 0.001 0.000 0.269 113 E C -0.799 175.829 176.600 0.046 0.000 1.022 113 E CA -0.476 55.945 56.400 0.034 0.000 0.887 113 E CB 0.388 30.099 29.700 0.017 0.000 0.990 113 E HN 0.591 nan 8.360 nan 0.000 0.426 114 I N 3.322 123.954 120.570 0.103 0.000 2.500 114 I HA 0.658 4.829 4.170 0.001 0.000 0.286 114 I C -0.835 175.436 176.117 0.256 0.000 1.063 114 I CA -0.585 60.804 61.300 0.149 0.000 1.062 114 I CB 1.610 39.712 38.000 0.170 0.000 1.223 114 I HN 0.582 nan 8.210 nan 0.000 0.435 115 A N 4.599 127.559 122.820 0.234 0.000 2.605 115 A HA 0.551 4.872 4.320 0.001 0.000 0.294 115 A C -1.872 175.813 177.584 0.168 0.000 1.062 115 A CA -0.539 51.678 52.037 0.301 0.000 0.682 115 A CB 1.153 20.292 19.000 0.233 0.000 1.278 115 A HN 0.569 nan 8.150 nan 0.000 0.410 116 Y N 1.805 122.095 120.300 -0.017 0.000 2.436 116 Y HA 0.408 4.959 4.550 0.001 0.000 0.336 116 Y C -0.133 175.692 175.900 -0.123 0.000 1.049 116 Y CA -0.070 57.799 58.100 -0.384 0.000 1.294 116 Y CB 0.644 38.876 38.460 -0.380 0.000 1.179 116 Y HN 0.615 nan 8.280 nan 0.000 0.520 117 D N 8.961 128.933 120.400 -0.713 0.000 2.396 117 D HA 0.255 4.896 4.640 0.001 0.000 0.225 117 D C -2.103 173.657 176.300 -0.900 0.000 1.121 117 D CA -2.498 51.198 54.000 -0.505 0.000 0.853 117 D CB 1.811 42.613 40.800 0.003 0.000 1.043 117 D HN 0.361 nan 8.370 nan 0.000 0.500 118 P HA -0.069 nan 4.420 nan 0.000 0.220 118 P C 1.089 178.226 177.300 -0.271 0.000 1.148 118 P CA 0.722 63.546 63.100 -0.460 0.000 0.803 118 P CB 0.378 32.002 31.700 -0.127 0.000 0.782 119 S N -1.257 114.304 115.700 -0.231 0.000 2.428 119 S HA 0.008 4.479 4.470 0.001 0.000 0.230 119 S C 1.592 176.050 174.600 -0.237 0.000 1.014 119 S CA 1.031 59.121 58.200 -0.182 0.000 0.957 119 S CB -0.479 62.636 63.200 -0.141 0.000 0.784 119 S HN 0.111 nan 8.310 nan 0.000 0.499 120 M N 0.751 120.156 119.600 -0.324 0.000 2.337 120 M HA 0.245 4.726 4.480 0.001 0.000 0.256 120 M C 0.471 176.533 176.300 -0.397 0.000 1.075 120 M CA 0.090 55.158 55.300 -0.387 0.000 1.024 120 M CB -1.229 30.984 32.600 -0.645 0.000 1.429 120 M HN 0.378 nan 8.290 nan 0.000 0.497 121 N N 1.798 120.287 118.700 -0.352 0.000 2.699 121 N HA -0.161 4.580 4.740 0.001 0.000 0.256 121 N C -0.790 174.566 175.510 -0.257 0.000 0.993 121 N CA 0.364 53.255 53.050 -0.266 0.000 0.759 121 N CB -0.135 38.247 38.487 -0.174 0.000 0.906 121 N HN 0.441 nan 8.380 nan 0.000 0.541 122 A N 0.594 123.234 122.820 -0.300 0.000 2.610 122 A HA 0.635 4.956 4.320 0.001 0.000 0.291 122 A C -1.114 176.385 177.584 -0.141 0.000 1.086 122 A CA -0.614 51.354 52.037 -0.115 0.000 0.677 122 A CB 0.693 19.732 19.000 0.066 0.000 1.278 122 A HN 0.188 nan 8.150 nan 0.000 0.414 123 F N 1.015 121.046 119.950 0.135 0.000 2.421 123 F HA 0.383 4.910 4.527 0.001 0.000 0.358 123 F C 0.590 176.436 175.800 0.077 0.000 1.115 123 F CA 0.030 58.051 58.000 0.034 0.000 1.160 123 F CB 1.090 40.029 39.000 -0.102 0.000 1.123 123 F HN 0.496 nan 8.300 nan 0.000 0.508 124 L N 5.807 127.108 121.223 0.131 0.000 2.410 124 L HA 0.386 4.727 4.340 0.001 0.000 0.273 124 L C -0.678 176.150 176.870 -0.070 0.000 1.144 124 L CA 0.065 54.791 54.840 -0.189 0.000 0.863 124 L CB 0.153 42.105 42.059 -0.178 0.000 1.140 124 L HN 0.546 nan 8.230 nan 0.000 0.463 125 I N 5.038 125.539 120.570 -0.116 0.000 2.468 125 I HA 0.260 4.431 4.170 0.001 0.000 0.285 125 I C -0.417 175.685 176.117 -0.025 0.000 1.039 125 I CA -0.562 60.729 61.300 -0.015 0.000 1.074 125 I CB 1.925 39.951 38.000 0.043 0.000 1.228 125 I HN 0.597 nan 8.210 nan 0.000 0.436 126 E N 7.512 127.691 120.200 -0.036 0.000 2.343 126 E HA 0.169 4.520 4.350 0.001 0.000 0.269 126 E C -1.523 175.099 176.600 0.036 0.000 1.047 126 E CA -1.613 54.764 56.400 -0.040 0.000 0.874 126 E CB 0.989 30.655 29.700 -0.057 0.000 1.033 126 E HN 0.345 nan 8.360 nan 0.000 0.409 127 P HA -0.174 nan 4.420 nan 0.000 0.218 127 P C 1.165 178.497 177.300 0.053 0.000 1.148 127 P CA 1.190 64.352 63.100 0.104 0.000 0.822 127 P CB 0.106 31.838 31.700 0.052 0.000 0.784 128 G N -0.311 108.501 108.800 0.020 0.000 2.509 128 G HA2 -0.135 3.826 3.960 0.001 0.000 0.218 128 G HA3 -0.135 3.826 3.960 0.001 0.000 0.218 128 G C 0.886 175.784 174.900 -0.003 0.000 1.124 128 G CA -0.046 45.059 45.100 0.009 0.000 0.776 128 G HN 0.291 nan 8.290 nan 0.000 0.547 129 N N 0.886 119.581 118.700 -0.008 0.000 2.492 129 N HA 0.070 4.811 4.740 0.001 0.000 0.260 129 N C 0.023 175.493 175.510 -0.066 0.000 1.215 129 N CA 0.439 53.469 53.050 -0.033 0.000 0.923 129 N CB 0.699 39.163 38.487 -0.038 0.000 1.092 129 N HN -0.092 nan 8.380 nan 0.000 0.448 130 T N 1.744 116.246 114.554 -0.088 0.000 2.899 130 T HA 0.141 4.492 4.350 0.001 0.000 0.295 130 T C 2.031 176.587 174.700 -0.240 0.000 1.033 130 T CA -0.440 61.577 62.100 -0.138 0.000 1.084 130 T CB 0.582 69.388 68.868 -0.104 0.000 0.979 130 T HN 0.292 nan 8.240 nan 0.000 0.532 131 L N 2.048 123.060 121.223 -0.352 0.000 2.079 131 L HA -0.117 4.223 4.340 0.001 0.000 0.210 131 L C 2.787 179.202 176.870 -0.758 0.000 1.081 131 L CA 1.405 55.867 54.840 -0.630 0.000 0.752 131 L CB -0.583 41.088 42.059 -0.647 0.000 0.896 131 L HN 0.675 nan 8.230 nan 0.000 0.433 132 S N -0.348 115.118 115.700 -0.389 0.000 2.402 132 S HA -0.177 4.294 4.470 0.001 0.000 0.229 132 S C 1.736 176.258 174.600 -0.131 0.000 1.021 132 S CA 1.214 59.292 58.200 -0.203 0.000 0.974 132 S CB -0.035 63.104 63.200 -0.102 0.000 0.800 132 S HN 0.446 nan 8.310 nan 0.000 0.484 133 E N 0.109 120.227 120.200 -0.137 0.000 2.106 133 E HA -0.057 4.294 4.350 0.001 0.000 0.192 133 E C 2.093 178.663 176.600 -0.049 0.000 0.984 133 E CA 1.185 57.547 56.400 -0.063 0.000 0.806 133 E CB -0.100 29.570 29.700 -0.049 0.000 0.750 133 E HN 0.367 nan 8.360 nan 0.000 0.458 134 V N 0.761 120.583 119.914 -0.154 0.000 2.270 134 V HA -0.272 3.849 4.120 0.001 0.000 0.245 134 V C 1.946 178.058 176.094 0.030 0.000 1.043 134 V CA 1.733 63.965 62.300 -0.113 0.000 1.014 134 V CB -0.648 31.025 31.823 -0.251 0.000 0.645 134 V HN 0.248 nan 8.190 nan 0.000 0.447 135 Y N 0.690 121.006 120.300 0.027 0.000 2.128 135 Y HA -0.229 4.322 4.550 0.002 0.000 0.284 135 Y C 2.552 178.536 175.900 0.140 0.000 1.154 135 Y CA 1.509 59.650 58.100 0.069 0.000 1.149 135 Y CB -1.079 37.383 38.460 0.004 0.000 0.976 135 Y HN 0.285 nan 8.280 nan 0.000 0.505 136 E N 0.055 120.405 120.200 0.251 0.000 2.031 136 E HA -0.156 4.194 4.350 0.001 0.000 0.193 136 E C 2.292 179.031 176.600 0.232 0.000 0.994 136 E CA 1.253 57.789 56.400 0.227 0.000 0.800 136 E CB -0.119 29.658 29.700 0.128 0.000 0.752 136 E HN 0.033 nan 8.360 nan 0.000 0.447 137 K N -0.008 120.505 120.400 0.188 0.000 2.062 137 K HA -0.074 4.247 4.320 0.001 0.000 0.205 137 K C 1.926 178.716 176.600 0.317 0.000 1.051 137 K CA 0.542 56.950 56.287 0.201 0.000 0.941 137 K CB -0.271 32.352 32.500 0.205 0.000 0.719 137 K HN 0.118 nan 8.250 nan 0.000 0.440 138 L N 0.529 121.947 121.223 0.325 0.000 2.083 138 L HA -0.186 4.155 4.340 0.001 0.000 0.209 138 L C 2.268 179.351 176.870 0.356 0.000 1.083 138 L CA 1.543 56.580 54.840 0.327 0.000 0.752 138 L CB -1.048 41.057 42.059 0.077 0.000 0.899 138 L HN 0.203 nan 8.230 nan 0.000 0.433 139 Y N -0.337 120.067 120.300 0.172 0.000 2.109 139 Y HA -0.187 4.364 4.550 0.001 0.000 0.285 139 Y C 2.383 178.326 175.900 0.072 0.000 1.131 139 Y CA 1.494 59.673 58.100 0.133 0.000 1.121 139 Y CB -0.442 38.151 38.460 0.221 0.000 0.987 139 Y HN 0.052 nan 8.280 nan 0.000 0.495 140 L N -0.653 120.571 121.223 0.002 0.000 2.012 140 L HA -0.190 4.151 4.340 0.001 0.000 0.210 140 L C 2.647 179.347 176.870 -0.284 0.000 1.073 140 L CA 1.523 56.247 54.840 -0.193 0.000 0.748 140 L CB -1.315 40.684 42.059 -0.098 0.000 0.891 140 L HN 0.400 nan 8.230 nan 0.000 0.431 141 G N -1.380 107.209 108.800 -0.353 0.000 2.408 141 G HA2 -0.201 3.760 3.960 0.001 0.000 0.217 141 G HA3 -0.201 3.760 3.960 0.001 0.000 0.217 141 G C 1.131 175.511 174.900 -0.867 0.000 1.150 141 G CA 0.397 44.905 45.100 -0.986 0.000 0.776 141 G HN 0.456 nan 8.290 nan 0.000 0.542 142 W N -1.701 119.577 121.300 -0.036 0.000 1.807 142 W HA 0.238 4.898 4.660 0.001 0.000 0.251 142 W C 0.683 177.160 176.519 -0.069 0.000 0.848 142 W CA -0.333 56.996 57.345 -0.028 0.000 1.157 142 W CB 0.017 29.503 29.460 0.042 0.000 0.992 142 W HN 0.269 nan 8.180 nan 0.000 0.506 143 N N 1.875 120.626 118.700 0.085 0.000 2.758 143 N HA -0.182 4.559 4.740 0.001 0.000 0.248 143 N C -0.835 174.710 175.510 0.057 0.000 1.076 143 N CA 1.323 54.401 53.050 0.048 0.000 0.696 143 N CB -1.259 37.214 38.487 -0.024 0.000 0.979 143 N HN 0.073 nan 8.380 nan 0.000 0.550 144 V N -4.553 115.397 119.914 0.060 0.000 3.167 144 V HA 0.983 5.104 4.120 0.001 0.000 0.310 144 V C 0.320 176.354 176.094 -0.099 0.000 1.207 144 V CA 0.141 62.376 62.300 -0.108 0.000 1.059 144 V CB 2.069 33.766 31.823 -0.210 0.000 1.079 144 V HN 0.203 nan 8.190 nan 0.000 0.446 145 T N 0.901 115.321 114.554 -0.223 0.000 2.762 145 T HA 0.667 5.018 4.350 0.001 0.000 0.301 145 T C -1.864 172.709 174.700 -0.211 0.000 1.299 145 T CA -0.234 61.789 62.100 -0.127 0.000 1.005 145 T CB 1.608 70.383 68.868 -0.155 0.000 1.377 145 T HN 1.583 nan 8.240 nan 0.000 0.504 146 I N 0.821 121.361 120.570 -0.051 0.000 2.569 146 I HA 0.664 4.835 4.170 0.001 0.000 0.296 146 I C -2.823 173.299 176.117 0.009 0.000 1.028 146 I CA -2.995 58.239 61.300 -0.110 0.000 1.082 146 I CB 1.718 39.715 38.000 -0.006 0.000 1.264 146 I HN 0.363 nan 8.210 nan 0.000 0.429 147 P HA 0.262 nan 4.420 nan 0.000 0.237 147 P C 0.120 177.532 177.300 0.186 0.000 1.788 147 P CA 0.399 63.568 63.100 0.115 0.000 1.061 147 P CB -0.064 31.766 31.700 0.216 0.000 1.967 148 G N 0.763 109.699 108.800 0.227 0.000 3.107 148 G HA2 0.596 4.556 3.960 0.001 0.000 0.232 148 G HA3 0.596 4.556 3.960 0.001 0.000 0.232 148 G C -0.100 174.924 174.900 0.207 0.000 1.339 148 G CA -0.760 44.553 45.100 0.354 0.000 1.033 148 G HN 0.328 nan 8.290 nan 0.000 0.567 149 G N -1.528 107.394 108.800 0.203 0.000 2.614 149 G HA2 0.352 4.313 3.960 0.001 0.000 0.239 149 G HA3 0.352 4.313 3.960 0.001 0.000 0.239 149 G C 0.995 175.888 174.900 -0.011 0.000 1.240 149 G CA 0.069 45.155 45.100 -0.024 0.000 0.842 149 G HN 0.441 nan 8.290 nan 0.000 0.584 150 V N 0.913 120.786 119.914 -0.069 0.000 2.229 150 V HA -0.152 3.969 4.120 0.001 0.000 0.243 150 V C 1.843 177.916 176.094 -0.036 0.000 1.042 150 V CA 1.051 63.327 62.300 -0.041 0.000 1.000 150 V CB -0.524 31.279 31.823 -0.034 0.000 0.637 150 V HN 0.776 nan 8.190 nan 0.000 0.446 151 C N 2.239 121.503 119.300 -0.060 0.000 2.250 151 C HA 0.115 4.575 4.460 0.001 0.000 0.405 151 C C 2.223 177.109 174.990 -0.173 0.000 1.516 151 C CA 0.012 58.970 59.018 -0.101 0.000 1.412 151 C CB -1.388 26.272 27.740 -0.133 0.000 2.534 151 C HN 0.742 nan 8.230 nan 0.000 0.621 152 G N 3.977 112.710 108.800 -0.112 0.000 2.703 152 G HA2 -0.253 3.708 3.960 0.001 0.000 0.222 152 G HA3 -0.253 3.708 3.960 0.001 0.000 0.222 152 G C 1.635 176.435 174.900 -0.167 0.000 1.183 152 G CA 1.116 46.144 45.100 -0.119 0.000 0.775 152 G HN 0.973 nan 8.290 nan 0.000 0.615 153 G N -0.552 108.160 108.800 -0.148 0.000 2.776 153 G HA2 0.234 4.195 3.960 0.001 0.000 0.209 153 G HA3 0.234 4.195 3.960 0.001 0.000 0.209 153 G C 0.560 175.349 174.900 -0.185 0.000 1.145 153 G CA 0.369 45.420 45.100 -0.082 0.000 0.791 153 G HN 0.419 nan 8.290 nan 0.000 0.530 154 V N 1.008 120.650 119.914 -0.453 0.000 2.572 154 V HA 0.464 4.585 4.120 0.001 0.000 0.291 154 V C 1.134 177.089 176.094 -0.231 0.000 1.039 154 V CA -0.104 61.944 62.300 -0.421 0.000 1.055 154 V CB 0.957 32.486 31.823 -0.489 0.000 0.969 154 V HN 0.199 nan 8.190 nan 0.000 0.482 155 G N 2.980 111.721 108.800 -0.099 0.000 2.400 155 G HA2 0.424 4.385 3.960 0.001 0.000 0.301 155 G HA3 0.424 4.385 3.960 0.001 0.000 0.301 155 G C 0.837 175.723 174.900 -0.023 0.000 1.154 155 G CA -0.492 44.577 45.100 -0.051 0.000 0.852 155 G HN 0.518 nan 8.290 nan 0.000 0.511 156 V N 2.807 122.708 119.914 -0.021 0.000 2.332 156 V HA -0.172 3.949 4.120 0.001 0.000 0.248 156 V C 3.053 179.222 176.094 0.126 0.000 1.055 156 V CA 2.668 64.974 62.300 0.010 0.000 1.038 156 V CB -0.999 30.830 31.823 0.009 0.000 0.651 156 V HN 0.865 nan 8.190 nan 0.000 0.450 157 G N 0.148 109.053 108.800 0.175 0.000 2.553 157 G HA2 -0.239 3.722 3.960 0.001 0.000 0.218 157 G HA3 -0.239 3.722 3.960 0.001 0.000 0.218 157 G C 1.607 176.637 174.900 0.216 0.000 1.195 157 G CA 1.114 46.355 45.100 0.236 0.000 0.779 157 G HN 0.599 nan 8.290 nan 0.000 0.577 158 G N -0.703 108.179 108.800 0.136 0.000 2.403 158 G HA2 -0.111 3.850 3.960 0.001 0.000 0.216 158 G HA3 -0.111 3.850 3.960 0.001 0.000 0.216 158 G C 1.577 176.548 174.900 0.118 0.000 1.154 158 G CA 1.301 46.470 45.100 0.115 0.000 0.784 158 G HN 0.588 nan 8.290 nan 0.000 0.538 159 H N 0.549 119.624 119.070 0.008 0.000 2.299 159 H HA 0.119 4.675 4.556 0.001 0.000 0.302 159 H C 2.510 177.833 175.328 -0.008 0.000 1.078 159 H CA 1.463 57.508 56.048 -0.005 0.000 1.323 159 H CB -0.157 29.584 29.762 -0.036 0.000 1.381 159 H HN 0.278 nan 8.280 nan 0.000 0.498 160 I N 0.172 120.682 120.570 -0.098 0.000 2.142 160 I HA -0.324 3.847 4.170 0.001 0.000 0.240 160 I C 2.615 178.676 176.117 -0.095 0.000 1.078 160 I CA 1.391 62.540 61.300 -0.252 0.000 1.343 160 I CB -0.446 37.103 38.000 -0.752 0.000 1.046 160 I HN 0.573 nan 8.210 nan 0.000 0.405 161 C N 0.083 119.428 119.300 0.074 0.000 2.472 161 C HA 0.139 4.600 4.460 0.001 0.000 0.278 161 C C 2.473 177.507 174.990 0.074 0.000 1.447 161 C CA 0.081 59.206 59.018 0.179 0.000 1.773 161 C CB -1.877 26.090 27.740 0.379 0.000 1.793 161 C HN 0.548 nan 8.230 nan 0.000 0.544 162 G N -0.319 108.495 108.800 0.024 0.000 2.744 162 G HA2 0.413 4.373 3.960 0.001 0.000 0.211 162 G HA3 0.413 4.373 3.960 0.001 0.000 0.211 162 G C 1.172 176.090 174.900 0.030 0.000 1.146 162 G CA 0.665 45.757 45.100 -0.014 0.000 0.787 162 G HN 1.624 nan 8.290 nan 0.000 0.534 163 G N -0.563 108.257 108.800 0.034 0.000 2.309 163 G HA2 0.200 4.161 3.960 0.001 0.000 0.183 163 G HA3 0.200 4.161 3.960 0.001 0.000 0.183 163 G C 0.591 175.601 174.900 0.184 0.000 1.063 163 G CA -0.033 45.152 45.100 0.142 0.000 0.768 163 G HN 0.929 nan 8.290 nan 0.000 0.490 164 G N -0.417 108.296 108.800 -0.144 0.000 2.630 164 G HA2 0.668 4.629 3.960 0.001 0.000 0.236 164 G HA3 0.668 4.629 3.960 0.001 0.000 0.236 164 G C -0.169 174.859 174.900 0.213 0.000 1.248 164 G CA 0.645 45.525 45.100 -0.367 0.000 0.844 164 G HN 1.997 nan 8.290 nan 0.000 0.588 165 Y N -1.422 118.998 120.300 0.199 0.000 2.702 165 Y HA 0.683 5.234 4.550 0.001 0.000 0.336 165 Y C -0.005 176.026 175.900 0.217 0.000 1.203 165 Y CA -0.571 57.665 58.100 0.227 0.000 1.072 165 Y CB 0.830 39.437 38.460 0.245 0.000 1.327 165 Y HN 1.299 nan 8.280 nan 0.000 0.456 166 G N 0.239 108.921 108.800 -0.197 0.000 2.435 166 G HA2 0.383 4.343 3.960 0.001 0.000 0.296 166 G HA3 0.383 4.343 3.960 0.001 0.000 0.296 166 G C -2.819 171.773 174.900 -0.514 0.000 1.240 166 G CA -0.658 44.153 45.100 -0.482 0.000 0.872 166 G HN 0.389 nan 8.290 nan 0.000 0.480 167 P HA 0.017 nan 4.420 nan 0.000 0.217 167 P C 1.720 178.842 177.300 -0.295 0.000 1.148 167 P CA 1.009 63.417 63.100 -1.153 0.000 0.828 167 P CB 0.089 31.295 31.700 -0.824 0.000 0.783 168 L N -1.826 119.336 121.223 -0.101 0.000 2.591 168 L HA 0.051 4.392 4.340 0.001 0.000 0.228 168 L C 1.913 178.863 176.870 0.134 0.000 1.133 168 L CA 0.421 55.318 54.840 0.095 0.000 0.880 168 L CB -0.584 41.625 42.059 0.249 0.000 1.033 168 L HN -0.048 nan 8.230 nan 0.000 0.450 169 S N 0.224 115.999 115.700 0.125 0.000 2.399 169 S HA -0.135 4.336 4.470 0.001 0.000 0.231 169 S C 2.040 176.702 174.600 0.103 0.000 1.022 169 S CA 1.112 59.424 58.200 0.186 0.000 0.983 169 S CB -0.147 63.231 63.200 0.297 0.000 0.803 169 S HN 0.440 nan 8.310 nan 0.000 0.480 170 R N 0.886 121.453 120.500 0.111 0.000 2.115 170 R HA 0.004 4.345 4.340 0.001 0.000 0.230 170 R C 2.535 178.832 176.300 -0.005 0.000 1.111 170 R CA 1.026 57.174 56.100 0.079 0.000 0.976 170 R CB -0.136 30.282 30.300 0.196 0.000 0.870 170 R HN 0.457 nan 8.270 nan 0.000 0.445 171 Q N -0.960 118.782 119.800 -0.095 0.000 2.163 171 Q HA -0.028 4.313 4.340 0.001 0.000 0.198 171 Q C 0.607 176.325 176.000 -0.470 0.000 0.954 171 Q CA 1.100 56.674 55.803 -0.382 0.000 0.851 171 Q CB 0.394 28.724 28.738 -0.681 0.000 0.928 171 Q HN 0.227 nan 8.270 nan 0.000 0.459 172 F N -1.219 118.796 119.950 0.107 0.000 2.752 172 F HA 0.388 4.917 4.527 0.002 0.000 0.310 172 F C 0.950 176.912 175.800 0.271 0.000 1.097 172 F CA 0.643 58.750 58.000 0.178 0.000 1.238 172 F CB 1.110 40.176 39.000 0.111 0.000 1.061 172 F HN 0.165 nan 8.300 nan 0.000 0.591 173 G N 0.302 109.290 108.800 0.313 0.000 2.610 173 G HA2 -0.101 3.860 3.960 0.001 0.000 0.304 173 G HA3 -0.101 3.860 3.960 0.001 0.000 0.304 173 G C -0.374 174.702 174.900 0.293 0.000 1.309 173 G CA -0.513 44.732 45.100 0.241 0.000 0.906 173 G HN 0.277 nan 8.290 nan 0.000 0.521 174 S N -0.965 114.881 115.700 0.245 0.000 2.585 174 S HA 0.370 4.840 4.470 0.001 0.000 0.273 174 S C 2.162 176.968 174.600 0.342 0.000 1.339 174 S CA 0.667 59.037 58.200 0.283 0.000 1.028 174 S CB 1.117 64.450 63.200 0.222 0.000 0.906 174 S HN 2.088 nan 8.310 nan 0.000 0.528 175 V N 3.839 123.934 119.914 0.301 0.000 2.568 175 V HA -0.111 4.009 4.120 0.001 0.000 0.253 175 V C 2.067 178.338 176.094 0.294 0.000 1.072 175 V CA 2.109 64.589 62.300 0.300 0.000 1.084 175 V CB -1.709 30.226 31.823 0.188 0.000 0.676 175 V HN 0.937 nan 8.190 nan 0.000 0.469 176 V N -1.387 118.645 119.914 0.196 0.000 2.970 176 V HA -0.078 4.042 4.120 0.001 0.000 0.260 176 V C 1.879 178.068 176.094 0.158 0.000 1.100 176 V CA 1.992 64.375 62.300 0.138 0.000 1.122 176 V CB -1.065 30.779 31.823 0.035 0.000 0.721 176 V HN 0.493 nan 8.190 nan 0.000 0.483 177 D N -0.410 120.076 120.400 0.143 0.000 2.363 177 D HA 0.014 4.655 4.640 0.001 0.000 0.226 177 D C 0.851 176.968 176.300 -0.306 0.000 1.020 177 D CA 1.020 54.996 54.000 -0.040 0.000 0.892 177 D CB -0.051 40.683 40.800 -0.109 0.000 0.900 177 D HN 0.731 nan 8.370 nan 0.000 0.531 178 Y N -0.365 120.059 120.300 0.207 0.000 2.641 178 Y HA 0.218 4.769 4.550 0.001 0.000 0.248 178 Y C 0.304 176.375 175.900 0.286 0.000 1.170 178 Y CA -0.748 57.482 58.100 0.217 0.000 1.201 178 Y CB 0.616 39.172 38.460 0.160 0.000 1.232 178 Y HN -0.161 nan 8.280 nan 0.000 0.537 179 L N 0.646 122.125 121.223 0.426 0.000 2.295 179 L HA 0.129 4.470 4.340 0.001 0.000 0.288 179 L C 0.812 178.048 176.870 0.610 0.000 1.079 179 L CA -0.222 54.916 54.840 0.497 0.000 0.830 179 L CB -0.094 42.227 42.059 0.437 0.000 1.200 179 L HN 0.334 nan 8.230 nan 0.000 0.438 180 Y N 5.573 126.099 120.300 0.378 0.000 2.243 180 Y HA 0.472 5.022 4.550 0.001 0.000 0.293 180 Y C 0.631 176.615 175.900 0.140 0.000 1.124 180 Y CA 0.572 58.786 58.100 0.190 0.000 1.159 180 Y CB 0.289 38.840 38.460 0.151 0.000 1.008 180 Y HN 0.639 nan 8.280 nan 0.000 0.527 181 A N -0.710 122.214 122.820 0.173 0.000 2.601 181 A HA 0.628 4.949 4.320 0.001 0.000 0.291 181 A C -2.078 175.770 177.584 0.440 0.000 1.075 181 A CA -0.244 51.845 52.037 0.087 0.000 0.671 181 A CB 1.030 19.863 19.000 -0.279 0.000 1.277 181 A HN 0.076 nan 8.150 nan 0.000 0.417 182 V N 0.274 120.367 119.914 0.298 0.000 2.888 182 V HA 0.586 4.707 4.120 0.001 0.000 0.309 182 V C -0.801 175.339 176.094 0.077 0.000 1.114 182 V CA -0.393 61.949 62.300 0.071 0.000 0.940 182 V CB 1.838 33.558 31.823 -0.172 0.000 1.021 182 V HN 0.985 nan 8.190 nan 0.000 0.426 183 E N 4.067 124.248 120.200 -0.031 0.000 2.134 183 E HA 0.674 5.025 4.350 0.001 0.000 0.278 183 E C -1.675 174.811 176.600 -0.190 0.000 0.959 183 E CA -0.423 55.968 56.400 -0.014 0.000 0.783 183 E CB 1.750 31.471 29.700 0.036 0.000 1.095 183 E HN 0.518 nan 8.360 nan 0.000 0.399 184 V N 4.414 124.226 119.914 -0.169 0.000 2.577 184 V HA 0.255 4.376 4.120 0.001 0.000 0.303 184 V C -0.237 175.791 176.094 -0.111 0.000 1.042 184 V CA -1.039 61.143 62.300 -0.196 0.000 0.872 184 V CB 1.754 33.430 31.823 -0.245 0.000 0.998 184 V HN 0.473 nan 8.190 nan 0.000 0.423 185 V N 5.673 125.536 119.914 -0.086 0.000 2.408 185 V HA 0.385 4.506 4.120 0.001 0.000 0.267 185 V C 0.240 176.337 176.094 0.006 0.000 1.047 185 V CA -0.164 62.125 62.300 -0.020 0.000 0.937 185 V CB 1.287 33.118 31.823 0.012 0.000 0.999 185 V HN 0.771 nan 8.190 nan 0.000 0.472 186 V N 3.988 123.939 119.914 0.061 0.000 2.881 186 V HA 0.782 4.903 4.120 0.001 0.000 0.316 186 V C -0.363 175.847 176.094 0.193 0.000 1.070 186 V CA -0.776 61.615 62.300 0.151 0.000 0.976 186 V CB 2.053 33.982 31.823 0.176 0.000 1.038 186 V HN 0.395 nan 8.190 nan 0.000 0.446 187 V N 4.152 124.223 119.914 0.263 0.000 2.384 187 V HA 0.389 4.510 4.120 0.001 0.000 0.287 187 V C 0.413 176.579 176.094 0.119 0.000 1.020 187 V CA -0.400 61.986 62.300 0.144 0.000 0.850 187 V CB 0.826 32.689 31.823 0.067 0.000 0.987 187 V HN 1.179 nan 8.190 nan 0.000 0.436 188 N N 4.156 122.897 118.700 0.070 0.000 2.364 188 N HA 0.236 4.977 4.740 0.001 0.000 0.264 188 N C 1.223 176.754 175.510 0.034 0.000 1.263 188 N CA -0.626 52.456 53.050 0.054 0.000 0.959 188 N CB 0.957 39.468 38.487 0.040 0.000 1.204 188 N HN 0.663 nan 8.380 nan 0.000 0.550 189 K N -0.092 120.322 120.400 0.025 0.000 2.103 189 K HA -0.247 4.074 4.320 0.001 0.000 0.207 189 K C 1.048 177.655 176.600 0.011 0.000 1.048 189 K CA 1.655 57.953 56.287 0.018 0.000 0.930 189 K CB -0.188 32.318 32.500 0.011 0.000 0.716 189 K HN 0.564 nan 8.250 nan 0.000 0.444 190 Q N 0.077 119.882 119.800 0.008 0.000 2.415 190 Q HA 0.151 4.492 4.340 0.001 0.000 0.206 190 Q C 0.687 176.685 176.000 -0.005 0.000 0.946 190 Q CA 0.792 56.597 55.803 0.003 0.000 0.951 190 Q CB 0.473 29.214 28.738 0.005 0.000 1.026 190 Q HN 0.681 nan 8.270 nan 0.000 0.510 191 G N 0.133 108.925 108.800 -0.013 0.000 2.143 191 G HA2 -0.285 3.675 3.960 0.001 0.000 0.248 191 G HA3 -0.285 3.675 3.960 0.001 0.000 0.248 191 G C -0.105 174.768 174.900 -0.045 0.000 0.991 191 G CA -0.111 44.961 45.100 -0.046 0.000 0.689 191 G HN 0.189 nan 8.290 nan 0.000 0.522 192 K N 0.328 120.719 120.400 -0.015 0.000 2.130 192 K HA 0.691 5.012 4.320 0.001 0.000 0.268 192 K C 0.584 177.191 176.600 0.011 0.000 0.983 192 K CA 0.088 56.373 56.287 -0.004 0.000 0.893 192 K CB 1.795 34.300 32.500 0.008 0.000 1.066 192 K HN 0.431 nan 8.250 nan 0.000 0.450 193 A N 2.777 125.605 122.820 0.014 0.000 2.322 193 A HA 0.435 4.756 4.320 0.001 0.000 0.269 193 A C -0.175 177.433 177.584 0.039 0.000 1.094 193 A CA -0.267 51.792 52.037 0.037 0.000 0.807 193 A CB 0.481 19.503 19.000 0.037 0.000 1.047 193 A HN 0.830 nan 8.150 nan 0.000 0.487 194 R N 1.226 121.754 120.500 0.047 0.000 2.548 194 R HA 0.509 4.849 4.340 0.001 0.000 0.280 194 R C -2.240 174.074 176.300 0.023 0.000 1.061 194 R CA -0.473 55.650 56.100 0.039 0.000 0.915 194 R CB 1.716 32.047 30.300 0.051 0.000 1.210 194 R HN 0.492 nan 8.270 nan 0.000 0.442 195 V N 6.519 126.443 119.914 0.015 0.000 2.385 195 V HA 0.384 4.505 4.120 0.001 0.000 0.269 195 V C 0.183 176.271 176.094 -0.011 0.000 1.043 195 V CA -0.288 62.013 62.300 0.001 0.000 0.906 195 V CB 1.089 32.919 31.823 0.013 0.000 0.995 195 V HN 0.611 nan 8.190 nan 0.000 0.467 196 I N 5.238 125.776 120.570 -0.055 0.000 2.404 196 I HA 0.419 4.590 4.170 0.001 0.000 0.293 196 I C -0.440 175.645 176.117 -0.054 0.000 0.992 196 I CA -0.847 60.394 61.300 -0.100 0.000 1.149 196 I CB 2.177 40.008 38.000 -0.282 0.000 1.315 196 I HN 0.237 nan 8.210 nan 0.000 0.446 197 V N 5.863 125.776 119.914 -0.001 0.000 2.318 197 V HA 0.521 4.641 4.120 0.001 0.000 0.271 197 V C 0.365 176.460 176.094 0.000 0.000 1.030 197 V CA -0.406 61.906 62.300 0.021 0.000 0.844 197 V CB 1.027 32.839 31.823 -0.019 0.000 1.015 197 V HN 0.812 nan 8.190 nan 0.000 0.460 198 A N 4.145 126.961 122.820 -0.006 0.000 2.303 198 A HA 0.830 5.151 4.320 0.001 0.000 0.320 198 A C 0.281 177.849 177.584 -0.027 0.000 1.192 198 A CA -0.327 51.728 52.037 0.030 0.000 0.821 198 A CB 1.166 20.191 19.000 0.043 0.000 1.188 198 A HN 0.829 nan 8.150 nan 0.000 0.492 199 T N -0.894 113.554 114.554 -0.176 0.000 2.949 199 T HA 0.434 4.785 4.350 0.001 0.000 0.287 199 T C 0.965 175.219 174.700 -0.744 0.000 1.034 199 T CA -0.572 61.186 62.100 -0.570 0.000 1.018 199 T CB 1.251 69.711 68.868 -0.679 0.000 1.135 199 T HN 0.702 nan 8.240 nan 0.000 0.532 200 R N 0.132 119.864 120.500 -1.280 0.000 2.280 200 R HA 0.055 4.396 4.340 0.001 0.000 0.207 200 R C 0.013 176.020 176.300 -0.489 0.000 1.043 200 R CA 0.325 55.458 56.100 -1.612 0.000 1.006 200 R CB -0.201 29.194 30.300 -1.509 0.000 0.885 200 R HN 0.747 nan 8.270 nan 0.000 0.467 201 E N 0.953 121.005 120.200 -0.247 0.000 2.414 201 E HA -0.046 4.304 4.350 0.001 0.000 0.263 201 E C 0.644 177.179 176.600 -0.107 0.000 1.000 201 E CA -0.131 56.210 56.400 -0.098 0.000 0.914 201 E CB 0.872 30.530 29.700 -0.071 0.000 0.948 201 E HN 0.215 nan 8.360 nan 0.000 0.444 202 R N 2.165 122.535 120.500 -0.217 0.000 2.103 202 R HA -0.194 4.147 4.340 0.001 0.000 0.242 202 R C 1.442 177.561 176.300 -0.301 0.000 1.142 202 R CA 2.007 57.872 56.100 -0.392 0.000 0.960 202 R CB -0.196 29.970 30.300 -0.222 0.000 0.858 202 R HN 0.649 nan 8.270 nan 0.000 0.439 203 D N 0.055 120.361 120.400 -0.156 0.000 2.347 203 D HA -0.098 4.543 4.640 0.001 0.000 0.213 203 D C -0.019 176.239 176.300 -0.071 0.000 0.985 203 D CA 0.160 54.099 54.000 -0.102 0.000 0.879 203 D CB -0.380 40.374 40.800 -0.076 0.000 0.919 203 D HN 0.099 nan 8.370 nan 0.000 0.526 204 D N 2.645 123.019 120.400 -0.044 0.000 2.487 204 D HA -0.033 4.608 4.640 0.001 0.000 0.243 204 D C -1.032 175.271 176.300 0.004 0.000 1.154 204 D CA -1.270 52.726 54.000 -0.006 0.000 0.876 204 D CB 1.836 42.655 40.800 0.031 0.000 1.161 204 D HN -0.013 nan 8.370 nan 0.000 0.478 205 P HA -0.151 nan 4.420 nan 0.000 0.221 205 P C 0.405 177.606 177.300 -0.165 0.000 1.145 205 P CA 1.177 64.163 63.100 -0.191 0.000 0.795 205 P CB 0.223 31.696 31.700 -0.378 0.000 0.775 206 H N -2.167 116.983 119.070 0.133 0.000 2.469 206 H HA 0.096 4.653 4.556 0.001 0.000 0.286 206 H C 1.682 177.110 175.328 0.165 0.000 1.106 206 H CA -0.375 55.770 56.048 0.162 0.000 1.055 206 H CB -0.779 29.037 29.762 0.089 0.000 1.618 206 H HN 0.331 nan 8.280 nan 0.000 0.559 207 H N 1.004 120.181 119.070 0.179 0.000 2.460 207 H HA -0.131 4.425 4.556 0.001 0.000 0.297 207 H C 0.536 176.073 175.328 0.348 0.000 1.103 207 H CA 1.411 57.594 56.048 0.224 0.000 1.292 207 H CB 0.517 30.359 29.762 0.133 0.000 1.376 207 H HN 0.295 nan 8.280 nan 0.000 0.531 208 D N 0.279 120.848 120.400 0.282 0.000 2.183 208 D HA -0.068 4.573 4.640 0.001 0.000 0.203 208 D C 2.487 178.842 176.300 0.092 0.000 0.969 208 D CA 0.148 54.267 54.000 0.198 0.000 0.842 208 D CB -0.121 40.798 40.800 0.198 0.000 0.957 208 D HN 0.336 nan 8.370 nan 0.000 0.484 209 L N -0.470 120.735 121.223 -0.030 0.000 2.056 209 L HA -0.110 4.231 4.340 0.001 0.000 0.207 209 L C 2.148 179.002 176.870 -0.025 0.000 1.078 209 L CA 0.928 55.602 54.840 -0.277 0.000 0.749 209 L CB -0.178 41.526 42.059 -0.591 0.000 0.901 209 L HN 0.228 nan 8.230 nan 0.000 0.433 210 W N 0.144 121.389 121.300 -0.091 0.000 2.317 210 W HA -0.317 4.343 4.660 0.001 0.000 0.318 210 W C 2.338 178.851 176.519 -0.010 0.000 1.227 210 W CA 1.918 59.223 57.345 -0.066 0.000 1.269 210 W CB -1.027 28.332 29.460 -0.167 0.000 1.155 210 W HN 0.313 nan 8.180 nan 0.000 0.484 211 W N 1.252 122.144 121.300 -0.681 0.000 2.363 211 W HA -0.133 4.528 4.660 0.001 0.000 0.296 211 W C 2.296 178.438 176.519 -0.629 0.000 1.212 211 W CA 3.102 59.873 57.345 -0.956 0.000 1.260 211 W CB -0.667 28.544 29.460 -0.415 0.000 1.131 211 W HN 0.010 nan 8.180 nan 0.000 0.530 212 A N -0.964 121.647 122.820 -0.348 0.000 2.067 212 A HA -0.174 4.147 4.320 0.001 0.000 0.219 212 A C 1.126 178.319 177.584 -0.653 0.000 1.158 212 A CA 1.729 53.406 52.037 -0.600 0.000 0.661 212 A CB -1.023 17.374 19.000 -1.006 0.000 0.801 212 A HN 0.562 nan 8.150 nan 0.000 0.452 213 H N -0.694 118.096 119.070 -0.468 0.000 2.539 213 H HA 0.098 4.655 4.556 0.001 0.000 0.269 213 H C 1.147 176.297 175.328 -0.296 0.000 0.980 213 H CA 0.949 56.845 56.048 -0.254 0.000 1.152 213 H CB 0.216 29.895 29.762 -0.139 0.000 1.407 213 H HN 0.493 nan 8.280 nan 0.000 0.564 214 T N -2.171 112.085 114.554 -0.496 0.000 3.327 214 T HA 0.377 4.728 4.350 0.001 0.000 0.241 214 T C 1.412 175.918 174.700 -0.324 0.000 0.907 214 T CA 0.236 62.072 62.100 -0.441 0.000 0.931 214 T CB -0.338 68.115 68.868 -0.692 0.000 1.112 214 T HN 0.441 nan 8.240 nan 0.000 0.589 215 G N -0.336 108.353 108.800 -0.184 0.000 2.273 215 G HA2 -0.083 3.878 3.960 0.001 0.000 0.162 215 G HA3 -0.083 3.878 3.960 0.001 0.000 0.162 215 G C 1.024 175.939 174.900 0.025 0.000 1.006 215 G CA -0.110 44.960 45.100 -0.050 0.000 0.704 215 G HN 0.736 nan 8.290 nan 0.000 0.487 216 G N 0.304 109.067 108.800 -0.061 0.000 2.448 216 G HA2 0.461 4.422 3.960 0.001 0.000 0.219 216 G HA3 0.461 4.422 3.960 0.001 0.000 0.219 216 G C 1.412 176.424 174.900 0.187 0.000 1.127 216 G CA 1.826 46.965 45.100 0.066 0.000 0.766 216 G HN 2.134 nan 8.290 nan 0.000 0.552 217 G N -1.885 106.988 108.800 0.123 0.000 2.690 217 G HA2 0.423 4.383 3.960 0.001 0.000 0.686 217 G HA3 0.423 4.383 3.960 0.001 0.000 0.686 217 G C 0.276 175.219 174.900 0.072 0.000 1.277 217 G CA -0.299 44.859 45.100 0.097 0.000 0.799 217 G HN 1.069 nan 8.290 nan 0.000 0.613 218 G N -1.050 107.799 108.800 0.082 0.000 2.599 218 G HA2 0.677 4.637 3.960 0.001 0.000 0.264 218 G HA3 0.677 4.637 3.960 0.001 0.000 0.264 218 G C 1.493 176.434 174.900 0.070 0.000 1.200 218 G CA 1.258 46.405 45.100 0.079 0.000 0.896 218 G HN 2.591 nan 8.290 nan 0.000 0.536 219 G N -0.498 108.326 108.800 0.040 0.000 2.143 219 G HA2 -0.297 3.664 3.960 0.001 0.000 0.248 219 G HA3 -0.297 3.664 3.960 0.001 0.000 0.248 219 G C 0.702 175.589 174.900 -0.022 0.000 0.991 219 G CA 0.877 46.031 45.100 0.089 0.000 0.689 219 G HN 0.748 nan 8.290 nan 0.000 0.522 220 N N -1.267 117.277 118.700 -0.260 0.000 2.606 220 N HA 0.330 5.070 4.740 0.001 0.000 0.208 220 N C 1.351 176.517 175.510 -0.574 0.000 1.046 220 N CA 0.606 53.295 53.050 -0.602 0.000 0.891 220 N CB 0.076 37.825 38.487 -1.230 0.000 1.344 220 N HN 0.243 nan 8.380 nan 0.000 0.437 221 F N -0.223 119.645 119.950 -0.136 0.000 2.717 221 F HA 0.508 5.035 4.527 0.001 0.000 0.297 221 F C 1.155 176.768 175.800 -0.311 0.000 1.113 221 F CA 0.129 58.060 58.000 -0.116 0.000 1.319 221 F CB 0.694 39.618 39.000 -0.128 0.000 1.097 221 F HN 0.025 nan 8.300 nan 0.000 0.595 222 G N -0.268 108.098 108.800 -0.723 0.000 2.357 222 G HA2 0.260 4.221 3.960 0.001 0.000 0.289 222 G HA3 0.260 4.221 3.960 0.001 0.000 0.289 222 G C -1.923 172.564 174.900 -0.689 0.000 1.302 222 G CA -0.957 43.461 45.100 -1.138 0.000 0.936 222 G HN -0.151 nan 8.290 nan 0.000 0.513 223 V N 0.719 120.391 119.914 -0.403 0.000 2.364 223 V HA 0.476 4.597 4.120 0.001 0.000 0.272 223 V C 0.760 176.748 176.094 -0.176 0.000 1.036 223 V CA -0.689 61.496 62.300 -0.192 0.000 0.880 223 V CB 1.095 32.883 31.823 -0.057 0.000 0.991 223 V HN 0.730 nan 8.190 nan 0.000 0.460 224 V N 5.352 125.151 119.914 -0.192 0.000 2.470 224 V HA 0.132 4.253 4.120 0.001 0.000 0.276 224 V C 1.444 177.370 176.094 -0.281 0.000 1.040 224 V CA 0.795 62.898 62.300 -0.329 0.000 1.008 224 V CB 1.009 32.547 31.823 -0.475 0.000 0.990 224 V HN 1.097 nan 8.190 nan 0.000 0.477 225 T N 1.427 115.811 114.554 -0.282 0.000 2.990 225 T HA 0.303 4.654 4.350 0.001 0.000 0.249 225 T C 0.415 174.941 174.700 -0.290 0.000 1.039 225 T CA -0.025 61.946 62.100 -0.215 0.000 1.036 225 T CB 0.291 69.078 68.868 -0.135 0.000 0.994 225 T HN 0.545 nan 8.240 nan 0.000 0.489 226 K N 0.211 120.343 120.400 -0.446 0.000 2.543 226 K HA 0.522 4.843 4.320 0.001 0.000 0.255 226 K C -2.022 174.151 176.600 -0.713 0.000 0.934 226 K CA -0.729 55.196 56.287 -0.604 0.000 0.810 226 K CB 2.155 34.110 32.500 -0.909 0.000 1.315 226 K HN 0.104 nan 8.250 nan 0.000 0.433 227 Y N 0.475 120.541 120.300 -0.389 0.000 2.420 227 Y HA 0.409 4.960 4.550 0.002 0.000 0.334 227 Y C -0.281 175.449 175.900 -0.283 0.000 1.094 227 Y CA -0.501 57.484 58.100 -0.192 0.000 1.126 227 Y CB 1.404 39.843 38.460 -0.036 0.000 1.217 227 Y HN 0.328 nan 8.280 nan 0.000 0.462 228 W N 5.065 126.535 121.300 0.284 0.000 2.471 228 W HA 0.433 5.093 4.660 0.001 0.000 0.318 228 W C -1.185 175.534 176.519 0.333 0.000 1.034 228 W CA -0.971 56.536 57.345 0.270 0.000 1.224 228 W CB 1.786 31.414 29.460 0.281 0.000 1.335 228 W HN 0.348 nan 8.180 nan 0.000 0.452 229 M N 3.905 123.791 119.600 0.477 0.000 2.436 229 M HA 0.601 5.082 4.480 0.001 0.000 0.331 229 M C -0.226 176.324 176.300 0.417 0.000 1.135 229 M CA -0.763 54.789 55.300 0.420 0.000 0.987 229 M CB 2.147 34.923 32.600 0.295 0.000 1.687 229 M HN 0.412 nan 8.290 nan 0.000 0.445 230 R N 0.514 121.262 120.500 0.414 0.000 2.736 230 R HA 0.302 4.643 4.340 0.001 0.000 0.250 230 R C -1.558 174.972 176.300 0.383 0.000 1.098 230 R CA -0.536 55.760 56.100 0.326 0.000 0.978 230 R CB 2.328 32.730 30.300 0.170 0.000 1.263 230 R HN 0.603 nan 8.270 nan 0.000 0.460 231 V N 5.391 125.532 119.914 0.379 0.000 2.814 231 V HA 0.005 4.125 4.120 0.001 0.000 0.307 231 V C -1.620 174.544 176.094 0.116 0.000 1.089 231 V CA -0.541 61.925 62.300 0.277 0.000 1.212 231 V CB 1.261 33.228 31.823 0.240 0.000 0.912 231 V HN 0.714 nan 8.190 nan 0.000 0.497 232 P HA -0.027 nan 4.420 nan 0.000 0.216 232 P C 0.015 177.338 177.300 0.037 0.000 1.153 232 P CA 0.646 63.777 63.100 0.052 0.000 0.848 232 P CB 0.131 31.849 31.700 0.031 0.000 0.787 233 E N 0.483 120.704 120.200 0.036 0.000 2.413 233 E HA 0.045 4.396 4.350 0.001 0.000 0.263 233 E C 0.188 176.797 176.600 0.016 0.000 1.015 233 E CA 0.118 56.535 56.400 0.028 0.000 0.916 233 E CB -0.444 29.279 29.700 0.037 0.000 0.947 233 E HN 0.027 nan 8.360 nan 0.000 0.440 234 D N 2.047 122.448 120.400 0.002 0.000 2.382 234 D HA -0.011 4.630 4.640 0.001 0.000 0.259 234 D C 0.156 176.457 176.300 0.001 0.000 1.224 234 D CA -0.025 53.968 54.000 -0.011 0.000 0.894 234 D CB 0.553 41.343 40.800 -0.017 0.000 1.127 234 D HN 0.234 nan 8.370 nan 0.000 0.487 235 V N 1.587 121.502 119.914 0.002 0.000 3.253 235 V HA 0.622 4.743 4.120 0.001 0.000 0.320 235 V C 0.866 176.961 176.094 0.003 0.000 1.442 235 V CA 0.433 62.740 62.300 0.011 0.000 1.097 235 V CB -0.243 31.597 31.823 0.029 0.000 1.008 235 V HN 0.764 nan 8.190 nan 0.000 0.463 236 G N 1.708 110.502 108.800 -0.009 0.000 2.526 236 G HA2 -0.100 3.861 3.960 0.001 0.000 0.250 236 G HA3 -0.100 3.861 3.960 0.001 0.000 0.250 236 G C 0.014 174.904 174.900 -0.018 0.000 1.289 236 G CA -0.101 44.992 45.100 -0.012 0.000 0.947 236 G HN 0.279 nan 8.290 nan 0.000 0.517 237 R N 0.141 120.631 120.500 -0.018 0.000 2.397 237 R HA 0.138 4.479 4.340 0.001 0.000 0.241 237 R C 0.877 177.137 176.300 -0.068 0.000 0.914 237 R CA -0.002 56.087 56.100 -0.019 0.000 1.071 237 R CB -0.387 29.914 30.300 0.002 0.000 1.116 237 R HN 0.567 nan 8.270 nan 0.000 0.524 238 N N 3.014 121.678 118.700 -0.059 0.000 2.402 238 N HA 0.043 4.784 4.740 0.001 0.000 0.259 238 N C -1.765 173.679 175.510 -0.109 0.000 1.167 238 N CA -1.532 51.472 53.050 -0.077 0.000 0.949 238 N CB 1.091 39.563 38.487 -0.024 0.000 1.212 238 N HN -0.201 nan 8.380 nan 0.000 0.493 239 P HA -0.207 nan 4.420 nan 0.000 0.217 239 P C 0.170 177.530 177.300 0.099 0.000 1.148 239 P CA 1.365 64.279 63.100 -0.310 0.000 0.834 239 P CB 0.176 31.517 31.700 -0.599 0.000 0.783 240 E N -1.265 119.011 120.200 0.126 0.000 2.409 240 E HA -0.111 4.240 4.350 0.001 0.000 0.198 240 E C 1.659 178.306 176.600 0.079 0.000 1.024 240 E CA 0.477 56.965 56.400 0.148 0.000 0.861 240 E CB -0.196 29.575 29.700 0.118 0.000 0.788 240 E HN 0.118 nan 8.360 nan 0.000 0.521 241 R N 0.054 120.590 120.500 0.060 0.000 2.312 241 R HA 0.172 4.513 4.340 0.001 0.000 0.205 241 R C 1.607 177.949 176.300 0.069 0.000 0.904 241 R CA 0.159 56.287 56.100 0.046 0.000 1.052 241 R CB 0.250 30.568 30.300 0.029 0.000 1.014 241 R HN 0.123 nan 8.270 nan 0.000 0.503 242 L N -0.577 120.718 121.223 0.120 0.000 2.558 242 L HA 0.253 4.594 4.340 0.001 0.000 0.225 242 L C 0.103 177.086 176.870 0.188 0.000 1.128 242 L CA 0.418 55.355 54.840 0.162 0.000 0.868 242 L CB 0.077 42.236 42.059 0.166 0.000 1.006 242 L HN 0.006 nan 8.230 nan 0.000 0.454 243 L N -1.550 119.720 121.223 0.078 0.000 2.469 243 L HA 0.454 4.794 4.340 0.001 0.000 0.256 243 L C -2.500 174.212 176.870 -0.264 0.000 1.006 243 L CA -1.956 52.821 54.840 -0.105 0.000 0.832 243 L CB 2.317 44.258 42.059 -0.198 0.000 1.421 243 L HN -0.330 nan 8.230 nan 0.000 0.410 244 P HA -0.052 nan 4.420 nan 0.000 0.261 244 P C -1.175 175.756 177.300 -0.616 0.000 1.173 244 P CA 0.123 62.689 63.100 -0.890 0.000 0.760 244 P CB 0.308 31.042 31.700 -1.611 0.000 0.783 245 K N 6.069 126.207 120.400 -0.437 0.000 2.312 245 K HA 0.233 4.554 4.320 0.001 0.000 0.287 245 K C -2.205 174.175 176.600 -0.368 0.000 1.062 245 K CA -1.899 54.218 56.287 -0.285 0.000 0.934 245 K CB 0.212 32.638 32.500 -0.123 0.000 1.027 245 K HN 0.279 nan 8.250 nan 0.000 0.478 246 P HA 0.205 nan 4.420 nan 0.000 0.274 246 P C -2.679 174.200 177.300 -0.701 0.000 1.237 246 P CA -1.595 60.906 63.100 -0.999 0.000 0.793 246 P CB -0.057 30.366 31.700 -2.127 0.000 0.977 247 P HA 0.041 nan 4.420 nan 0.000 0.268 247 P C 0.767 177.992 177.300 -0.124 0.000 1.205 247 P CA 0.153 63.135 63.100 -0.197 0.000 0.771 247 P CB 0.222 31.911 31.700 -0.018 0.000 0.858 248 A N 3.150 125.971 122.820 0.002 0.000 1.873 248 A HA -0.066 4.255 4.320 0.001 0.000 0.218 248 A C 1.030 178.720 177.584 0.176 0.000 1.193 248 A CA 2.304 54.405 52.037 0.107 0.000 0.629 248 A CB -1.264 17.788 19.000 0.086 0.000 0.826 248 A HN 0.656 nan 8.150 nan 0.000 0.447 249 T N -3.894 110.744 114.554 0.141 0.000 2.896 249 T HA 0.639 4.990 4.350 0.001 0.000 0.297 249 T C -0.975 173.809 174.700 0.140 0.000 1.108 249 T CA -0.932 61.253 62.100 0.142 0.000 1.004 249 T CB 1.491 70.415 68.868 0.093 0.000 1.159 249 T HN 0.091 nan 8.240 nan 0.000 0.499 250 L N 1.836 123.135 121.223 0.127 0.000 2.362 250 L HA 0.569 4.910 4.340 0.001 0.000 0.271 250 L C -0.557 176.356 176.870 0.072 0.000 1.002 250 L CA -0.996 53.911 54.840 0.111 0.000 0.818 250 L CB 1.398 43.533 42.059 0.127 0.000 1.298 250 L HN 0.695 nan 8.230 nan 0.000 0.420 251 L N 2.826 124.087 121.223 0.063 0.000 2.315 251 L HA 0.415 4.756 4.340 0.001 0.000 0.283 251 L C 0.563 177.461 176.870 0.047 0.000 1.089 251 L CA 0.383 55.250 54.840 0.045 0.000 0.833 251 L CB 0.946 43.028 42.059 0.038 0.000 1.170 251 L HN 0.855 nan 8.230 nan 0.000 0.442 252 T N 0.751 115.325 114.554 0.034 0.000 2.885 252 T HA 0.792 5.143 4.350 0.001 0.000 0.285 252 T C -0.352 174.353 174.700 0.007 0.000 1.019 252 T CA -0.747 61.371 62.100 0.030 0.000 1.010 252 T CB 1.728 70.614 68.868 0.030 0.000 1.022 252 T HN 0.508 nan 8.240 nan 0.000 0.466 253 S N 0.797 116.495 115.700 -0.003 0.000 2.536 253 S HA 0.614 5.084 4.470 0.001 0.000 0.271 253 S C -1.149 173.425 174.600 -0.043 0.000 1.134 253 S CA -0.623 57.561 58.200 -0.026 0.000 0.897 253 S CB 1.817 64.998 63.200 -0.031 0.000 1.094 253 S HN 0.894 nan 8.310 nan 0.000 0.473 254 T N 3.455 117.972 114.554 -0.063 0.000 2.788 254 T HA 0.415 4.766 4.350 0.001 0.000 0.296 254 T C -0.483 174.133 174.700 -0.142 0.000 1.009 254 T CA -0.336 61.713 62.100 -0.086 0.000 0.949 254 T CB 0.962 69.787 68.868 -0.071 0.000 0.946 254 T HN 0.496 nan 8.240 nan 0.000 0.453 255 V N 4.876 124.677 119.914 -0.187 0.000 2.488 255 V HA 0.267 4.387 4.120 0.001 0.000 0.277 255 V C 0.772 176.547 176.094 -0.532 0.000 1.046 255 V CA -0.145 61.934 62.300 -0.368 0.000 0.986 255 V CB 0.949 32.535 31.823 -0.394 0.000 0.989 255 V HN 0.904 nan 8.190 nan 0.000 0.475 256 T N 5.994 120.199 114.554 -0.582 0.000 2.902 256 T HA 0.707 5.057 4.350 0.001 0.000 0.283 256 T C -0.691 173.511 174.700 -0.829 0.000 1.009 256 T CA -0.083 61.715 62.100 -0.504 0.000 1.051 256 T CB 0.905 69.629 68.868 -0.240 0.000 0.999 256 T HN 0.326 nan 8.240 nan 0.000 0.474 257 F N 1.031 120.780 119.950 -0.334 0.000 2.565 257 F HA 0.420 4.947 4.527 0.001 0.000 0.313 257 F C -0.013 175.542 175.800 -0.407 0.000 1.091 257 F CA -1.181 56.483 58.000 -0.559 0.000 0.915 257 F CB 1.705 39.931 39.000 -1.290 0.000 1.208 257 F HN 0.385 nan 8.300 nan 0.000 0.453 258 D N 1.821 122.155 120.400 -0.110 0.000 2.329 258 D HA 0.132 4.773 4.640 0.001 0.000 0.232 258 D C 0.388 176.733 176.300 0.075 0.000 1.088 258 D CA -0.467 53.538 54.000 0.009 0.000 0.835 258 D CB 0.812 41.630 40.800 0.031 0.000 1.078 258 D HN 0.540 nan 8.370 nan 0.000 0.495 259 W N 3.101 124.526 121.300 0.208 0.000 2.325 259 W HA -0.241 4.420 4.660 0.002 0.000 0.299 259 W C 2.297 178.906 176.519 0.150 0.000 1.215 259 W CA 1.126 58.612 57.345 0.235 0.000 1.244 259 W CB -0.007 29.575 29.460 0.203 0.000 1.140 259 W HN 0.640 nan 8.180 nan 0.000 0.523 260 A N -0.058 122.961 122.820 0.332 0.000 1.978 260 A HA -0.103 4.217 4.320 0.001 0.000 0.220 260 A C 2.117 179.807 177.584 0.176 0.000 1.170 260 A CA 1.843 54.006 52.037 0.210 0.000 0.636 260 A CB -1.293 17.792 19.000 0.140 0.000 0.810 260 A HN 0.319 nan 8.150 nan 0.000 0.448 261 G N -2.276 106.617 108.800 0.155 0.000 3.042 261 G HA2 0.312 4.273 3.960 0.001 0.000 0.212 261 G HA3 0.312 4.273 3.960 0.001 0.000 0.212 261 G C 0.485 175.469 174.900 0.140 0.000 1.166 261 G CA 0.060 45.228 45.100 0.113 0.000 0.767 261 G HN 0.340 nan 8.290 nan 0.000 0.546 262 M N 3.444 123.182 119.600 0.230 0.000 3.176 262 M HA 0.260 4.741 4.480 0.001 0.000 0.284 262 M C 0.954 177.481 176.300 0.379 0.000 1.392 262 M CA -0.561 54.913 55.300 0.289 0.000 1.520 262 M CB -0.300 32.510 32.600 0.351 0.000 1.100 262 M HN 0.123 nan 8.290 nan 0.000 0.555 263 T N -1.769 112.920 114.554 0.225 0.000 2.748 263 T HA 0.112 4.463 4.350 0.001 0.000 0.304 263 T C 1.092 175.809 174.700 0.029 0.000 1.041 263 T CA -0.373 61.819 62.100 0.153 0.000 1.033 263 T CB 0.703 69.614 68.868 0.072 0.000 0.995 263 T HN 0.670 nan 8.240 nan 0.000 0.536 264 E N 0.555 120.606 120.200 -0.247 0.000 2.130 264 E HA -0.198 4.152 4.350 0.001 0.000 0.196 264 E C 2.217 178.686 176.600 -0.218 0.000 0.998 264 E CA 1.335 57.357 56.400 -0.631 0.000 0.806 264 E CB -0.562 28.810 29.700 -0.546 0.000 0.738 264 E HN 0.804 nan 8.360 nan 0.000 0.459 265 A N 0.450 123.219 122.820 -0.085 0.000 1.970 265 A HA 0.134 4.455 4.320 0.001 0.000 0.216 265 A C 2.265 179.853 177.584 0.007 0.000 1.170 265 A CA 1.158 53.178 52.037 -0.029 0.000 0.645 265 A CB -0.358 18.631 19.000 -0.019 0.000 0.816 265 A HN 0.369 nan 8.150 nan 0.000 0.447 266 A N -1.267 121.571 122.820 0.031 0.000 1.968 266 A HA 0.056 4.377 4.320 0.001 0.000 0.217 266 A C 1.970 179.584 177.584 0.050 0.000 1.169 266 A CA 1.318 53.376 52.037 0.035 0.000 0.638 266 A CB -0.631 18.396 19.000 0.046 0.000 0.812 266 A HN 0.580 nan 8.150 nan 0.000 0.446 267 F N 1.053 120.983 119.950 -0.034 0.000 2.113 267 F HA -0.130 4.398 4.527 0.002 0.000 0.297 267 F C 2.574 178.368 175.800 -0.010 0.000 1.103 267 F CA 1.925 59.939 58.000 0.023 0.000 1.248 267 F CB -0.192 38.912 39.000 0.174 0.000 0.999 267 F HN 0.193 nan 8.300 nan 0.000 0.475 268 S N 0.099 115.884 115.700 0.141 0.000 2.368 268 S HA -0.182 4.289 4.470 0.001 0.000 0.224 268 S C 1.955 176.536 174.600 -0.033 0.000 1.029 268 S CA 1.115 59.348 58.200 0.056 0.000 0.988 268 S CB -0.357 62.880 63.200 0.063 0.000 0.838 268 S HN 0.244 nan 8.310 nan 0.000 0.462 269 R N 1.805 122.285 120.500 -0.032 0.000 2.094 269 R HA -0.093 4.248 4.340 0.001 0.000 0.239 269 R C 2.126 178.380 176.300 -0.077 0.000 1.137 269 R CA 1.578 57.653 56.100 -0.041 0.000 0.943 269 R CB -1.305 28.976 30.300 -0.032 0.000 0.850 269 R HN 0.391 nan 8.270 nan 0.000 0.433 270 L N -0.059 121.074 121.223 -0.149 0.000 2.013 270 L HA -0.133 4.208 4.340 0.001 0.000 0.212 270 L C 1.975 178.736 176.870 -0.182 0.000 1.073 270 L CA 1.820 56.530 54.840 -0.217 0.000 0.753 270 L CB -0.684 41.119 42.059 -0.428 0.000 0.890 270 L HN 0.283 nan 8.230 nan 0.000 0.432 271 L N -0.712 120.367 121.223 -0.240 0.000 2.109 271 L HA -0.091 4.250 4.340 0.001 0.000 0.207 271 L C 2.707 179.580 176.870 0.005 0.000 1.086 271 L CA 1.460 56.208 54.840 -0.155 0.000 0.760 271 L CB -0.708 41.208 42.059 -0.239 0.000 0.910 271 L HN 0.205 nan 8.230 nan 0.000 0.437 272 R N -0.450 120.046 120.500 -0.007 0.000 2.083 272 R HA -0.167 4.174 4.340 0.001 0.000 0.237 272 R C 2.123 178.456 176.300 0.055 0.000 1.137 272 R CA 1.861 57.979 56.100 0.030 0.000 0.951 272 R CB -0.525 29.784 30.300 0.014 0.000 0.851 272 R HN 0.536 nan 8.270 nan 0.000 0.434 273 N N -0.552 118.170 118.700 0.036 0.000 2.043 273 N HA -0.235 4.506 4.740 0.001 0.000 0.193 273 N C 1.963 177.545 175.510 0.120 0.000 1.037 273 N CA 1.108 54.189 53.050 0.051 0.000 0.851 273 N CB -0.268 38.219 38.487 0.000 0.000 1.027 273 N HN 0.344 nan 8.380 nan 0.000 0.422 274 H N 0.486 119.574 119.070 0.029 0.000 2.321 274 H HA -0.071 4.486 4.556 0.002 0.000 0.300 274 H C 2.018 177.526 175.328 0.299 0.000 1.087 274 H CA 1.945 58.067 56.048 0.123 0.000 1.319 274 H CB -0.296 29.488 29.762 0.037 0.000 1.379 274 H HN 0.241 nan 8.280 nan 0.000 0.501 275 G N 0.240 109.184 108.800 0.239 0.000 2.402 275 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 275 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 275 G C 1.646 176.635 174.900 0.150 0.000 1.162 275 G CA 0.583 45.802 45.100 0.197 0.000 0.777 275 G HN 0.502 nan 8.290 nan 0.000 0.539 276 E N -0.869 119.402 120.200 0.117 0.000 2.158 276 E HA -0.067 4.284 4.350 0.001 0.000 0.191 276 E C 2.006 178.620 176.600 0.024 0.000 0.982 276 E CA 0.167 56.604 56.400 0.061 0.000 0.823 276 E CB -0.175 29.552 29.700 0.045 0.000 0.766 276 E HN 0.586 nan 8.360 nan 0.000 0.468 277 W N 0.794 122.034 121.300 -0.100 0.000 2.318 277 W HA -0.280 4.382 4.660 0.002 0.000 0.313 277 W C 1.650 178.012 176.519 -0.262 0.000 1.221 277 W CA 1.686 58.908 57.345 -0.205 0.000 1.266 277 W CB -0.321 28.971 29.460 -0.280 0.000 1.150 277 W HN 0.078 nan 8.180 nan 0.000 0.496 278 Y N 0.592 120.917 120.300 0.043 0.000 2.293 278 Y HA -0.184 4.367 4.550 0.002 0.000 0.291 278 Y C 2.371 178.190 175.900 -0.135 0.000 1.137 278 Y CA 2.167 60.244 58.100 -0.037 0.000 1.202 278 Y CB -0.648 37.820 38.460 0.013 0.000 0.990 278 Y HN 0.072 nan 8.280 nan 0.000 0.537 279 E N -0.351 119.849 120.200 0.001 0.000 2.153 279 E HA -0.190 4.161 4.350 0.001 0.000 0.194 279 E C 1.983 178.505 176.600 -0.131 0.000 0.988 279 E CA 1.049 57.431 56.400 -0.029 0.000 0.811 279 E CB -0.084 29.612 29.700 -0.007 0.000 0.746 279 E HN 0.485 nan 8.360 nan 0.000 0.466 280 R N 0.052 120.388 120.500 -0.273 0.000 2.254 280 R HA 0.135 4.476 4.340 0.001 0.000 0.195 280 R C 0.645 176.675 176.300 -0.450 0.000 0.957 280 R CA 0.298 56.204 56.100 -0.323 0.000 1.024 280 R CB 0.352 30.445 30.300 -0.345 0.000 0.952 280 R HN 0.037 nan 8.270 nan 0.000 0.484 281 N N 0.105 118.388 118.700 -0.695 0.000 2.541 281 N HA 0.141 4.882 4.740 0.001 0.000 0.297 281 N C -0.495 174.742 175.510 -0.455 0.000 1.503 281 N CA 0.081 52.642 53.050 -0.815 0.000 0.919 281 N CB 1.750 39.122 38.487 -1.858 0.000 1.305 281 N HN -0.080 nan 8.380 nan 0.000 0.501 282 S N -0.726 114.853 115.700 -0.201 0.000 2.819 282 S HA 0.192 4.663 4.470 0.001 0.000 0.249 282 S C 0.935 175.534 174.600 -0.001 0.000 1.030 282 S CA -0.543 57.646 58.200 -0.019 0.000 1.052 282 S CB 1.119 64.373 63.200 0.090 0.000 1.017 282 S HN 0.405 nan 8.310 nan 0.000 0.576 283 G N 2.831 111.612 108.800 -0.032 0.000 2.527 283 G HA2 0.351 4.312 3.960 0.001 0.000 0.248 283 G HA3 0.351 4.312 3.960 0.001 0.000 0.248 283 G C -1.436 173.463 174.900 -0.003 0.000 1.231 283 G CA -1.110 43.981 45.100 -0.016 0.000 0.838 283 G HN 0.034 nan 8.290 nan 0.000 0.570 284 P HA -0.089 nan 4.420 nan 0.000 0.218 284 P C 0.642 177.941 177.300 -0.001 0.000 1.148 284 P CA 1.110 64.211 63.100 0.002 0.000 0.822 284 P CB 0.375 32.079 31.700 0.006 0.000 0.784 285 D N -1.125 119.274 120.400 -0.002 0.000 2.339 285 D HA 0.017 4.658 4.640 0.001 0.000 0.217 285 D C 0.703 177.000 176.300 -0.005 0.000 1.050 285 D CA 0.287 54.285 54.000 -0.005 0.000 0.856 285 D CB -0.109 40.688 40.800 -0.004 0.000 0.922 285 D HN 0.083 nan 8.370 nan 0.000 0.518 286 S N 1.612 117.314 115.700 0.003 0.000 2.552 286 S HA 0.027 4.498 4.470 0.001 0.000 0.289 286 S C -1.480 173.129 174.600 0.015 0.000 1.304 286 S CA -1.056 57.159 58.200 0.026 0.000 1.063 286 S CB 1.322 64.549 63.200 0.045 0.000 0.848 286 S HN -0.142 nan 8.310 nan 0.000 0.499 287 P HA -0.055 nan 4.420 nan 0.000 0.221 287 P C -0.018 177.181 177.300 -0.169 0.000 1.145 287 P CA 1.168 64.185 63.100 -0.138 0.000 0.795 287 P CB -0.044 31.509 31.700 -0.246 0.000 0.775 288 Y N -0.747 119.564 120.300 0.019 0.000 2.470 288 Y HA 0.002 4.552 4.550 -0.000 0.000 0.302 288 Y C 2.037 177.972 175.900 0.058 0.000 1.194 288 Y CA 0.660 58.802 58.100 0.070 0.000 1.271 288 Y CB -1.256 37.288 38.460 0.138 0.000 1.092 288 Y HN 0.049 nan 8.280 nan 0.000 0.513 289 T N -4.451 110.175 114.554 0.119 0.000 2.962 289 T HA -0.107 4.244 4.350 0.001 0.000 0.270 289 T C 2.061 176.796 174.700 0.060 0.000 1.088 289 T CA 1.099 63.243 62.100 0.075 0.000 1.127 289 T CB -0.380 68.484 68.868 -0.006 0.000 0.883 289 T HN 0.439 nan 8.240 nan 0.000 0.493 290 G N 0.584 109.410 108.800 0.043 0.000 3.026 290 G HA2 0.406 4.366 3.960 0.001 0.000 0.208 290 G HA3 0.406 4.366 3.960 0.001 0.000 0.208 290 G C 0.115 175.089 174.900 0.124 0.000 1.169 290 G CA -0.390 44.732 45.100 0.036 0.000 0.788 290 G HN 0.585 nan 8.290 nan 0.000 0.533 291 L N -0.505 120.840 121.223 0.204 0.000 2.334 291 L HA 0.834 5.174 4.340 0.001 0.000 0.276 291 L C -1.300 175.773 176.870 0.339 0.000 1.014 291 L CA -1.381 53.593 54.840 0.224 0.000 0.815 291 L CB 1.962 44.159 42.059 0.231 0.000 1.268 291 L HN 0.140 nan 8.230 nan 0.000 0.428 292 W N 4.718 126.075 121.300 0.096 0.000 3.107 292 W HA 0.726 5.386 4.660 0.001 0.000 0.331 292 W C -1.417 175.175 176.519 0.122 0.000 1.204 292 W CA -0.151 57.294 57.345 0.167 0.000 1.184 292 W CB 2.001 31.562 29.460 0.168 0.000 1.421 292 W HN 0.712 nan 8.180 nan 0.000 0.544 293 S N 2.750 117.883 115.700 -0.944 0.000 2.588 293 S HA 0.622 5.093 4.470 0.001 0.000 0.269 293 S C -1.595 172.302 174.600 -1.172 0.000 1.157 293 S CA -1.151 56.465 58.200 -0.974 0.000 0.824 293 S CB 1.884 64.915 63.200 -0.282 0.000 1.126 293 S HN 0.678 nan 8.310 nan 0.000 0.464 294 Q N 1.247 120.546 119.800 -0.835 0.000 2.337 294 Q HA 0.596 4.937 4.340 0.001 0.000 0.270 294 Q C -1.409 174.400 176.000 -0.317 0.000 1.043 294 Q CA -0.968 54.559 55.803 -0.460 0.000 0.794 294 Q CB 1.920 30.439 28.738 -0.366 0.000 1.281 294 Q HN 0.729 nan 8.270 nan 0.000 0.446 295 L N 4.534 125.598 121.223 -0.264 0.000 2.295 295 L HA 0.401 4.741 4.340 0.001 0.000 0.288 295 L C -1.040 175.668 176.870 -0.271 0.000 1.079 295 L CA -0.394 54.287 54.840 -0.265 0.000 0.830 295 L CB 0.557 42.301 42.059 -0.525 0.000 1.200 295 L HN 0.826 nan 8.230 nan 0.000 0.438 296 M N 6.929 126.367 119.600 -0.271 0.000 2.055 296 M HA 0.374 4.855 4.480 0.001 0.000 0.347 296 M C -0.496 175.742 176.300 -0.103 0.000 1.123 296 M CA -0.094 54.965 55.300 -0.402 0.000 1.035 296 M CB 1.242 33.437 32.600 -0.677 0.000 1.484 296 M HN 0.414 nan 8.290 nan 0.000 0.428 297 I N 3.211 123.730 120.570 -0.085 0.000 2.316 297 I HA 0.469 4.640 4.170 0.001 0.000 0.286 297 I C 0.592 176.741 176.117 0.053 0.000 1.107 297 I CA -0.341 60.752 61.300 -0.346 0.000 1.219 297 I CB 0.216 38.015 38.000 -0.334 0.000 1.455 297 I HN 0.721 nan 8.210 nan 0.000 0.498 298 G N 4.039 112.952 108.800 0.188 0.000 2.630 298 G HA2 0.372 4.332 3.960 0.001 0.000 0.296 298 G HA3 0.372 4.332 3.960 0.001 0.000 0.296 298 G C -0.764 174.384 174.900 0.414 0.000 1.285 298 G CA -0.751 44.512 45.100 0.272 0.000 0.958 298 G HN 0.512 nan 8.290 nan 0.000 0.479 299 N N -0.367 118.442 118.700 0.182 0.000 2.503 299 N HA 0.096 4.837 4.740 0.001 0.000 0.267 299 N C -0.546 175.149 175.510 0.308 0.000 1.214 299 N CA -0.161 52.972 53.050 0.139 0.000 0.959 299 N CB 1.183 39.600 38.487 -0.117 0.000 1.142 299 N HN 0.496 nan 8.380 nan 0.000 0.455 300 E N 0.262 120.629 120.200 0.277 0.000 2.070 300 E HA 0.217 4.567 4.350 0.001 0.000 0.282 300 E C -0.642 176.058 176.600 0.167 0.000 1.104 300 E CA -0.520 56.034 56.400 0.257 0.000 0.876 300 E CB 0.702 30.558 29.700 0.261 0.000 1.055 300 E HN 0.332 nan 8.360 nan 0.000 0.401 301 V N 5.739 125.755 119.914 0.171 0.000 2.383 301 V HA 0.129 4.250 4.120 0.001 0.000 0.275 301 V C -1.265 174.874 176.094 0.075 0.000 1.036 301 V CA -1.386 60.981 62.300 0.111 0.000 0.889 301 V CB 1.157 33.044 31.823 0.108 0.000 0.985 301 V HN 0.633 nan 8.190 nan 0.000 0.459 302 P HA -0.004 nan 4.420 nan 0.000 0.222 302 P C 1.174 178.490 177.300 0.027 0.000 1.153 302 P CA 0.961 64.087 63.100 0.043 0.000 0.798 302 P CB 0.382 32.102 31.700 0.034 0.000 0.796 303 G N -0.655 108.156 108.800 0.019 0.000 3.383 303 G HA2 0.320 4.281 3.960 0.001 0.000 0.251 303 G HA3 0.320 4.281 3.960 0.001 0.000 0.251 303 G C 0.195 175.091 174.900 -0.007 0.000 1.203 303 G CA -0.096 45.007 45.100 0.005 0.000 0.852 303 G HN 0.256 nan 8.290 nan 0.000 0.531 304 M N 0.835 120.434 119.600 -0.001 0.000 2.234 304 M HA 0.462 4.943 4.480 0.001 0.000 0.267 304 M C -0.437 175.862 176.300 -0.001 0.000 1.022 304 M CA -0.507 54.779 55.300 -0.023 0.000 0.993 304 M CB 1.592 34.148 32.600 -0.073 0.000 1.836 304 M HN 0.076 nan 8.290 nan 0.000 0.479 305 G N 1.708 110.508 108.800 -0.001 0.000 2.451 305 G HA2 0.479 4.440 3.960 0.001 0.000 0.303 305 G HA3 0.479 4.440 3.960 0.001 0.000 0.303 305 G C 0.083 174.995 174.900 0.019 0.000 1.166 305 G CA -0.005 45.104 45.100 0.016 0.000 0.884 305 G HN 0.934 nan 8.290 nan 0.000 0.514 306 E N -1.442 118.777 120.200 0.031 0.000 3.426 306 E HA -0.240 4.111 4.350 0.001 0.000 0.291 306 E C 1.142 177.799 176.600 0.095 0.000 0.898 306 E CA 1.223 57.646 56.400 0.038 0.000 0.970 306 E CB -1.450 28.271 29.700 0.036 0.000 1.489 306 E HN 0.805 nan 8.360 nan 0.000 0.461 307 S N -1.292 114.460 115.700 0.086 0.000 2.661 307 S HA 0.718 5.188 4.470 0.001 0.000 0.265 307 S C 1.045 175.801 174.600 0.260 0.000 1.225 307 S CA 0.197 58.515 58.200 0.196 0.000 0.986 307 S CB 1.712 64.985 63.200 0.121 0.000 1.008 307 S HN 1.253 nan 8.310 nan 0.000 0.565 308 G N -0.030 108.997 108.800 0.378 0.000 2.582 308 G HA2 -0.099 3.862 3.960 0.001 0.000 0.222 308 G HA3 -0.099 3.862 3.960 0.001 0.000 0.222 308 G C -0.752 174.382 174.900 0.390 0.000 1.311 308 G CA -0.352 44.971 45.100 0.370 0.000 0.915 308 G HN 1.183 nan 8.290 nan 0.000 0.528 309 F N 2.087 122.131 119.950 0.156 0.000 2.308 309 F HA 0.688 5.216 4.527 0.001 0.000 0.370 309 F C 0.776 176.638 175.800 0.103 0.000 1.100 309 F CA -0.730 57.283 58.000 0.021 0.000 1.108 309 F CB 0.362 39.136 39.000 -0.377 0.000 1.293 309 F HN 0.747 nan 8.300 nan 0.000 0.478 310 M N 5.173 125.044 119.600 0.453 0.000 2.644 310 M HA 0.505 4.986 4.480 0.001 0.000 0.273 310 M C -1.770 174.618 176.300 0.146 0.000 1.253 310 M CA -0.968 54.461 55.300 0.216 0.000 0.852 310 M CB 2.850 35.484 32.600 0.057 0.000 1.708 310 M HN 0.455 nan 8.290 nan 0.000 0.471 311 M N 2.437 122.066 119.600 0.048 0.000 1.988 311 M HA 0.473 4.954 4.480 0.001 0.000 0.243 311 M C -2.849 173.406 176.300 -0.076 0.000 0.897 311 M CA -1.345 53.954 55.300 -0.000 0.000 0.935 311 M CB 1.665 34.350 32.600 0.141 0.000 1.956 311 M HN 0.387 nan 8.290 nan 0.000 0.389 312 P HA 0.367 nan 4.420 nan 0.000 0.271 312 P C -1.087 176.136 177.300 -0.130 0.000 1.216 312 P CA 0.168 63.207 63.100 -0.101 0.000 0.771 312 P CB 0.682 32.334 31.700 -0.079 0.000 0.864 313 I N 2.383 122.916 120.570 -0.061 0.000 2.730 313 I HA 0.444 4.615 4.170 0.001 0.000 0.298 313 I C -0.039 176.101 176.117 0.038 0.000 1.089 313 I CA -0.670 60.596 61.300 -0.057 0.000 1.041 313 I CB 2.240 40.207 38.000 -0.055 0.000 1.235 313 I HN 0.353 nan 8.210 nan 0.000 0.423 314 Q N 4.638 124.505 119.800 0.112 0.000 2.345 314 Q HA 0.811 5.152 4.340 0.001 0.000 0.275 314 Q C -1.929 174.157 176.000 0.144 0.000 1.063 314 Q CA -0.884 55.007 55.803 0.147 0.000 0.819 314 Q CB 3.192 32.058 28.738 0.214 0.000 1.356 314 Q HN 0.460 nan 8.270 nan 0.000 0.418 315 V N 1.218 121.196 119.914 0.107 0.000 2.823 315 V HA 0.301 4.422 4.120 0.001 0.000 0.312 315 V C -1.177 174.973 176.094 0.093 0.000 1.072 315 V CA -0.650 61.707 62.300 0.096 0.000 0.937 315 V CB 1.998 33.859 31.823 0.063 0.000 1.013 315 V HN 0.977 nan 8.190 nan 0.000 0.430 316 D N 4.861 125.310 120.400 0.081 0.000 2.389 316 D HA 0.167 4.807 4.640 0.001 0.000 0.263 316 D C 0.839 177.166 176.300 0.044 0.000 1.255 316 D CA 0.685 54.724 54.000 0.065 0.000 0.914 316 D CB 1.586 42.402 40.800 0.026 0.000 1.116 316 D HN 0.772 nan 8.370 nan 0.000 0.502 317 A N 3.468 126.321 122.820 0.055 0.000 2.261 317 A HA -0.012 4.309 4.320 0.001 0.000 0.208 317 A C 1.954 179.555 177.584 0.027 0.000 1.223 317 A CA 0.372 52.433 52.037 0.040 0.000 0.833 317 A CB -0.203 18.826 19.000 0.049 0.000 0.830 317 A HN 0.607 nan 8.150 nan 0.000 0.483 318 T N 0.457 115.024 114.554 0.021 0.000 2.674 318 T HA -0.065 4.286 4.350 0.001 0.000 0.265 318 T C 1.079 175.782 174.700 0.005 0.000 1.039 318 T CA 0.975 63.082 62.100 0.013 0.000 1.150 318 T CB -0.095 68.778 68.868 0.009 0.000 0.864 318 T HN 0.553 nan 8.240 nan 0.000 0.427 319 R N 1.745 122.242 120.500 -0.005 0.000 2.441 319 R HA 0.170 4.511 4.340 0.001 0.000 0.284 319 R C -1.634 174.660 176.300 -0.010 0.000 1.070 319 R CA -1.716 54.377 56.100 -0.012 0.000 1.047 319 R CB 0.342 30.627 30.300 -0.026 0.000 1.016 319 R HN 0.191 nan 8.270 nan 0.000 0.477 320 P HA -0.150 nan 4.420 nan 0.000 0.225 320 P C 0.167 177.462 177.300 -0.009 0.000 1.148 320 P CA 1.079 64.176 63.100 -0.005 0.000 0.779 320 P CB 0.137 31.835 31.700 -0.003 0.000 0.780 321 D N -0.284 120.104 120.400 -0.020 0.000 2.336 321 D HA 0.041 4.682 4.640 0.001 0.000 0.229 321 D C 1.571 177.852 176.300 -0.031 0.000 1.061 321 D CA 0.225 54.208 54.000 -0.027 0.000 0.875 321 D CB -0.595 40.178 40.800 -0.044 0.000 0.904 321 D HN 0.069 nan 8.370 nan 0.000 0.525 322 A N 0.884 123.691 122.820 -0.021 0.000 1.972 322 A HA -0.171 4.150 4.320 0.001 0.000 0.219 322 A C 2.320 179.908 177.584 0.006 0.000 1.169 322 A CA 1.387 53.416 52.037 -0.012 0.000 0.635 322 A CB -0.640 18.362 19.000 0.002 0.000 0.810 322 A HN 0.251 nan 8.150 nan 0.000 0.446 323 R N -0.342 120.164 120.500 0.010 0.000 2.092 323 R HA -0.062 4.279 4.340 0.001 0.000 0.231 323 R C 2.368 178.683 176.300 0.026 0.000 1.119 323 R CA 1.290 57.400 56.100 0.018 0.000 0.970 323 R CB -0.175 30.133 30.300 0.013 0.000 0.864 323 R HN 0.549 nan 8.270 nan 0.000 0.440 324 R N 0.214 120.726 120.500 0.021 0.000 2.075 324 R HA -0.101 4.240 4.340 0.001 0.000 0.232 324 R C 2.343 178.687 176.300 0.073 0.000 1.126 324 R CA 1.374 57.496 56.100 0.036 0.000 0.963 324 R CB -0.521 29.791 30.300 0.021 0.000 0.858 324 R HN 0.264 nan 8.270 nan 0.000 0.435 325 L N 0.875 122.123 121.223 0.041 0.000 2.042 325 L HA -0.179 4.162 4.340 0.001 0.000 0.210 325 L C 2.620 179.643 176.870 0.256 0.000 1.076 325 L CA 1.084 55.981 54.840 0.094 0.000 0.749 325 L CB -0.532 41.428 42.059 -0.165 0.000 0.893 325 L HN 0.226 nan 8.230 nan 0.000 0.432 326 L N -0.195 121.107 121.223 0.131 0.000 1.976 326 L HA -0.234 4.107 4.340 0.001 0.000 0.209 326 L C 2.387 179.318 176.870 0.102 0.000 1.071 326 L CA 1.671 56.575 54.840 0.107 0.000 0.746 326 L CB -0.441 41.650 42.059 0.053 0.000 0.890 326 L HN 0.340 nan 8.230 nan 0.000 0.432 327 D N 0.121 120.563 120.400 0.070 0.000 2.116 327 D HA -0.213 4.427 4.640 0.001 0.000 0.193 327 D C 2.083 178.411 176.300 0.047 0.000 0.998 327 D CA 1.631 55.656 54.000 0.040 0.000 0.836 327 D CB -0.074 40.745 40.800 0.031 0.000 0.951 327 D HN 0.437 nan 8.370 nan 0.000 0.449 328 A N 0.287 123.176 122.820 0.114 0.000 1.930 328 A HA -0.224 4.097 4.320 0.001 0.000 0.217 328 A C 2.038 179.668 177.584 0.077 0.000 1.175 328 A CA 2.023 54.145 52.037 0.141 0.000 0.627 328 A CB -0.883 18.274 19.000 0.262 0.000 0.815 328 A HN 0.352 nan 8.150 nan 0.000 0.443 329 H N -0.070 118.974 119.070 -0.044 0.000 2.290 329 H HA -0.091 4.465 4.556 0.001 0.000 0.298 329 H C 1.754 176.803 175.328 -0.465 0.000 1.087 329 H CA 2.242 57.986 56.048 -0.506 0.000 1.291 329 H CB -0.308 29.123 29.762 -0.552 0.000 1.369 329 H HN 0.396 nan 8.280 nan 0.000 0.492 330 I N 0.476 120.880 120.570 -0.276 0.000 2.163 330 I HA -0.266 3.904 4.170 0.001 0.000 0.243 330 I C 2.655 178.630 176.117 -0.238 0.000 1.085 330 I CA 1.970 63.116 61.300 -0.258 0.000 1.347 330 I CB -0.383 37.556 38.000 -0.103 0.000 1.044 330 I HN 0.598 nan 8.210 nan 0.000 0.408 331 E N 1.568 121.675 120.200 -0.154 0.000 2.107 331 E HA -0.185 4.166 4.350 0.001 0.000 0.191 331 E C 2.211 178.747 176.600 -0.107 0.000 0.982 331 E CA 1.109 57.449 56.400 -0.099 0.000 0.809 331 E CB -0.208 29.465 29.700 -0.046 0.000 0.756 331 E HN 0.410 nan 8.360 nan 0.000 0.459 332 A N 1.328 124.067 122.820 -0.135 0.000 1.908 332 A HA -0.140 4.181 4.320 0.001 0.000 0.218 332 A C 2.464 179.954 177.584 -0.158 0.000 1.181 332 A CA 1.721 53.698 52.037 -0.101 0.000 0.627 332 A CB -0.801 18.198 19.000 -0.002 0.000 0.818 332 A HN 0.229 nan 8.150 nan 0.000 0.445 333 V N 0.366 120.086 119.914 -0.323 0.000 2.379 333 V HA -0.191 3.930 4.120 0.001 0.000 0.245 333 V C 2.223 178.257 176.094 -0.099 0.000 1.044 333 V CA 1.883 64.038 62.300 -0.242 0.000 1.036 333 V CB -0.704 30.893 31.823 -0.377 0.000 0.664 333 V HN 0.772 nan 8.190 nan 0.000 0.453 334 I N -2.106 118.413 120.570 -0.085 0.000 3.812 334 I HA 0.274 4.445 4.170 0.001 0.000 0.320 334 I C 0.472 176.572 176.117 -0.028 0.000 1.276 334 I CA -0.168 61.122 61.300 -0.016 0.000 1.164 334 I CB -0.233 37.761 38.000 -0.009 0.000 1.009 334 I HN 0.049 nan 8.210 nan 0.000 0.431 335 D N 2.935 123.311 120.400 -0.039 0.000 2.502 335 D HA 0.158 4.798 4.640 0.001 0.000 0.249 335 D C 1.494 177.782 176.300 -0.019 0.000 1.188 335 D CA 1.549 55.534 54.000 -0.026 0.000 0.890 335 D CB 0.517 41.305 40.800 -0.019 0.000 1.140 335 D HN 0.588 nan 8.370 nan 0.000 0.505 336 G N 2.709 111.500 108.800 -0.015 0.000 2.153 336 G HA2 -0.217 3.744 3.960 0.001 0.000 0.252 336 G HA3 -0.217 3.744 3.960 0.001 0.000 0.252 336 G C 0.182 175.075 174.900 -0.011 0.000 0.994 336 G CA 0.339 45.432 45.100 -0.011 0.000 0.698 336 G HN 0.567 nan 8.290 nan 0.000 0.521 337 V N 0.602 120.510 119.914 -0.010 0.000 2.257 337 V HA 0.283 4.403 4.120 0.001 0.000 0.269 337 V C -0.525 175.573 176.094 0.006 0.000 1.040 337 V CA -0.721 61.577 62.300 -0.004 0.000 0.813 337 V CB 1.448 33.270 31.823 -0.002 0.000 1.065 337 V HN 0.086 nan 8.190 nan 0.000 0.457 338 P HA -0.012 nan 4.420 nan 0.000 0.217 338 P C -1.237 176.054 177.300 -0.014 0.000 1.150 338 P CA 1.053 64.149 63.100 -0.006 0.000 0.832 338 P CB -0.729 30.971 31.700 0.000 0.000 0.787 339 P HA 0.032 nan 4.420 nan 0.000 0.234 339 P C 0.141 177.393 177.300 -0.081 0.000 1.167 339 P CA 0.598 63.686 63.100 -0.020 0.000 0.763 339 P CB -0.460 31.238 31.700 -0.004 0.000 0.835 340 A N 0.582 123.348 122.820 -0.090 0.000 2.492 340 A HA 0.181 4.501 4.320 0.001 0.000 0.254 340 A C 0.180 177.587 177.584 -0.293 0.000 1.091 340 A CA 0.204 52.049 52.037 -0.319 0.000 0.768 340 A CB -0.298 18.559 19.000 -0.237 0.000 1.028 340 A HN -0.021 nan 8.150 nan 0.000 0.498 341 E N 1.559 121.529 120.200 -0.383 0.000 2.158 341 E HA 0.531 4.882 4.350 0.001 0.000 0.271 341 E C -1.274 175.158 176.600 -0.280 0.000 0.911 341 E CA -0.253 55.989 56.400 -0.264 0.000 0.767 341 E CB 1.575 31.152 29.700 -0.205 0.000 1.120 341 E HN 0.318 nan 8.360 nan 0.000 0.405 342 V N 7.275 127.073 119.914 -0.194 0.000 2.326 342 V HA 0.410 4.531 4.120 0.001 0.000 0.281 342 V C -1.746 174.280 176.094 -0.113 0.000 1.015 342 V CA -1.364 60.839 62.300 -0.162 0.000 0.823 342 V CB 0.853 32.596 31.823 -0.134 0.000 1.009 342 V HN 0.722 nan 8.190 nan 0.000 0.436 343 P HA 0.345 nan 4.420 nan 0.000 0.279 343 P C -0.343 176.924 177.300 -0.055 0.000 1.282 343 P CA -0.579 62.477 63.100 -0.074 0.000 0.788 343 P CB 0.995 32.654 31.700 -0.070 0.000 1.139 344 E N 0.657 120.833 120.200 -0.041 0.000 2.360 344 E HA 0.192 4.543 4.350 0.001 0.000 0.269 344 E C -1.946 174.639 176.600 -0.025 0.000 1.022 344 E CA -1.403 54.980 56.400 -0.029 0.000 0.887 344 E CB -0.159 29.528 29.700 -0.022 0.000 0.990 344 E HN 0.266 nan 8.360 nan 0.000 0.426 345 P HA 0.086 nan 4.420 nan 0.000 0.265 345 P C -0.434 176.864 177.300 -0.004 0.000 1.193 345 P CA 0.448 63.542 63.100 -0.009 0.000 0.765 345 P CB 0.395 32.094 31.700 -0.002 0.000 0.823 346 I N 1.794 122.364 120.570 -0.000 0.000 2.441 346 I HA 0.278 4.449 4.170 0.001 0.000 0.295 346 I C 0.604 176.730 176.117 0.014 0.000 0.994 346 I CA -0.816 60.486 61.300 0.004 0.000 1.144 346 I CB 1.784 39.783 38.000 -0.001 0.000 1.314 346 I HN 0.307 nan 8.210 nan 0.000 0.445 347 E N 6.969 127.180 120.200 0.017 0.000 2.200 347 E HA 0.329 4.680 4.350 0.001 0.000 0.283 347 E C -1.052 175.566 176.600 0.029 0.000 1.015 347 E CA -0.504 55.913 56.400 0.028 0.000 0.819 347 E CB 0.951 30.668 29.700 0.029 0.000 1.081 347 E HN 0.568 nan 8.360 nan 0.000 0.397 348 Q N 3.896 123.719 119.800 0.037 0.000 2.397 348 Q HA 0.467 4.808 4.340 0.001 0.000 0.275 348 Q C -0.884 175.147 176.000 0.052 0.000 1.090 348 Q CA -1.117 54.704 55.803 0.030 0.000 0.809 348 Q CB 1.713 30.454 28.738 0.005 0.000 1.362 348 Q HN 0.403 nan 8.270 nan 0.000 0.431 349 R N 1.220 121.750 120.500 0.050 0.000 2.390 349 R HA 0.147 4.488 4.340 0.001 0.000 0.291 349 R C -0.340 176.007 176.300 0.077 0.000 1.070 349 R CA -0.555 55.604 56.100 0.097 0.000 1.014 349 R CB 0.766 31.128 30.300 0.102 0.000 1.007 349 R HN 0.667 nan 8.270 nan 0.000 0.466 350 W N 5.915 127.169 121.300 -0.078 0.000 2.513 350 W HA -0.172 4.489 4.660 0.001 0.000 0.339 350 W C 0.171 176.539 176.519 -0.251 0.000 1.257 350 W CA 0.793 58.004 57.345 -0.223 0.000 1.280 350 W CB 0.190 29.421 29.460 -0.382 0.000 1.214 350 W HN 0.708 nan 8.180 nan 0.000 0.567 351 L N 4.145 124.901 121.223 -0.777 0.000 4.040 351 L HA -0.366 3.975 4.340 0.001 0.000 0.410 351 L C 1.667 178.431 176.870 -0.176 0.000 1.187 351 L CA 0.566 55.113 54.840 -0.488 0.000 0.956 351 L CB -1.950 39.865 42.059 -0.407 0.000 2.022 351 L HN 0.626 nan 8.230 nan 0.000 0.897 352 A N -1.291 121.452 122.820 -0.129 0.000 1.969 352 A HA 0.031 4.352 4.320 0.001 0.000 0.218 352 A C 1.319 178.879 177.584 -0.040 0.000 1.169 352 A CA 1.924 53.938 52.037 -0.038 0.000 0.635 352 A CB 0.032 19.023 19.000 -0.016 0.000 0.810 352 A HN 0.356 nan 8.150 nan 0.000 0.445 353 S N 0.063 115.720 115.700 -0.071 0.000 2.620 353 S HA 0.415 4.885 4.470 0.001 0.000 0.244 353 S C -0.907 173.653 174.600 -0.066 0.000 1.192 353 S CA -0.522 57.647 58.200 -0.052 0.000 1.148 353 S CB 0.497 63.674 63.200 -0.038 0.000 1.106 353 S HN 0.277 nan 8.310 nan 0.000 0.474 354 T N 5.032 119.553 114.554 -0.055 0.000 2.929 354 T HA 0.419 4.769 4.350 0.001 0.000 0.331 354 T C -1.571 173.109 174.700 -0.033 0.000 1.120 354 T CA -0.872 61.195 62.100 -0.054 0.000 0.973 354 T CB 1.058 69.896 68.868 -0.051 0.000 1.036 354 T HN 0.444 nan 8.240 nan 0.000 0.502 355 P HA 0.475 nan 4.420 nan 0.000 0.201 355 P C 0.458 177.743 177.300 -0.025 0.000 1.153 355 P CA 0.169 63.254 63.100 -0.024 0.000 0.894 355 P CB -0.118 31.570 31.700 -0.019 0.000 0.736 356 G N 0.721 109.507 108.800 -0.022 0.000 3.402 356 G HA2 -0.125 3.836 3.960 0.001 0.000 0.686 356 G HA3 -0.125 3.836 3.960 0.001 0.000 0.686 356 G C -0.445 174.452 174.900 -0.005 0.000 0.983 356 G CA -0.711 44.379 45.100 -0.017 0.000 0.821 356 G HN 0.465 nan 8.290 nan 0.000 0.500 357 R N 2.203 122.705 120.500 0.004 0.000 2.404 357 R HA 0.459 4.800 4.340 0.001 0.000 0.315 357 R C 1.539 177.840 176.300 0.002 0.000 1.032 357 R CA 1.501 57.603 56.100 0.002 0.000 0.992 357 R CB -0.128 30.175 30.300 0.006 0.000 0.959 357 R HN 2.424 nan 8.270 nan 0.000 0.428 358 G N 3.368 112.162 108.800 -0.009 0.000 2.578 358 G HA2 -0.341 3.620 3.960 0.001 0.000 0.284 358 G HA3 -0.341 3.620 3.960 0.001 0.000 0.284 358 G C 0.432 175.323 174.900 -0.015 0.000 1.283 358 G CA 0.170 45.260 45.100 -0.018 0.000 0.944 358 G HN 0.782 nan 8.290 nan 0.000 0.558 359 G N -1.758 107.022 108.800 -0.033 0.000 2.508 359 G HA2 0.382 4.343 3.960 0.001 0.000 0.167 359 G HA3 0.382 4.343 3.960 0.001 0.000 0.167 359 G C 0.447 175.294 174.900 -0.088 0.000 1.534 359 G CA 0.336 45.409 45.100 -0.046 0.000 0.707 359 G HN 0.640 nan 8.290 nan 0.000 0.717 360 R N 2.341 122.787 120.500 -0.090 0.000 2.608 360 R HA 0.377 4.717 4.340 0.001 0.000 0.277 360 R C 0.488 176.720 176.300 -0.112 0.000 1.341 360 R CA 0.017 56.049 56.100 -0.114 0.000 1.199 360 R CB 0.048 30.287 30.300 -0.101 0.000 1.156 360 R HN 0.354 nan 8.270 nan 0.000 0.558 361 G N 2.721 111.446 108.800 -0.125 0.000 2.531 361 G HA2 0.348 4.308 3.960 0.001 0.000 0.281 361 G HA3 0.348 4.308 3.960 0.001 0.000 0.281 361 G C -2.208 172.586 174.900 -0.177 0.000 1.382 361 G CA -1.030 43.994 45.100 -0.126 0.000 1.045 361 G HN 0.260 nan 8.290 nan 0.000 0.533 362 P HA 0.032 nan 4.420 nan 0.000 0.272 362 P C -0.149 176.900 177.300 -0.418 0.000 1.161 362 P CA 0.620 63.540 63.100 -0.300 0.000 0.756 362 P CB 0.188 31.728 31.700 -0.266 0.000 0.761 363 A N 2.215 124.641 122.820 -0.657 0.000 2.328 363 A HA 0.579 4.900 4.320 0.001 0.000 0.284 363 A C 0.288 177.071 177.584 -1.334 0.000 1.160 363 A CA 0.231 51.700 52.037 -0.945 0.000 0.818 363 A CB 0.120 18.472 19.000 -1.080 0.000 1.087 363 A HN 0.534 nan 8.150 nan 0.000 0.504 364 S N 1.130 116.269 115.700 -0.936 0.000 2.618 364 S HA 0.802 5.273 4.470 0.001 0.000 0.277 364 S C -0.945 173.539 174.600 -0.193 0.000 1.138 364 S CA -0.968 56.852 58.200 -0.632 0.000 0.844 364 S CB 1.731 64.791 63.200 -0.232 0.000 1.127 364 S HN 0.726 nan 8.310 nan 0.000 0.474 365 K N 0.896 121.363 120.400 0.112 0.000 2.426 365 K HA 0.672 4.993 4.320 0.001 0.000 0.254 365 K C -1.075 175.536 176.600 0.017 0.000 0.936 365 K CA -0.114 56.278 56.287 0.174 0.000 0.801 365 K CB 1.889 34.584 32.500 0.324 0.000 1.139 365 K HN 0.914 nan 8.250 nan 0.000 0.424 366 T N 2.505 116.976 114.554 -0.139 0.000 2.841 366 T HA 0.649 5.000 4.350 0.001 0.000 0.283 366 T C -1.088 173.453 174.700 -0.266 0.000 1.000 366 T CA -0.649 61.264 62.100 -0.312 0.000 0.977 366 T CB 0.639 69.124 68.868 -0.638 0.000 0.979 366 T HN 0.594 nan 8.240 nan 0.000 0.446 367 K N 1.806 122.083 120.400 -0.205 0.000 2.400 367 K HA 0.897 5.217 4.320 0.001 0.000 0.246 367 K C -1.106 175.533 176.600 0.066 0.000 0.995 367 K CA -1.239 54.905 56.287 -0.238 0.000 0.840 367 K CB 2.418 34.516 32.500 -0.669 0.000 1.293 367 K HN 0.795 nan 8.250 nan 0.000 0.445 368 A N 0.236 123.197 122.820 0.234 0.000 2.606 368 A HA 0.855 5.176 4.320 0.001 0.000 0.293 368 A C -1.232 176.615 177.584 0.438 0.000 1.082 368 A CA -0.552 51.696 52.037 0.350 0.000 0.685 368 A CB 2.116 21.301 19.000 0.308 0.000 1.284 368 A HN 0.727 nan 8.150 nan 0.000 0.408 369 G N -0.584 108.409 108.800 0.322 0.000 2.718 369 G HA2 0.569 4.530 3.960 0.001 0.000 0.295 369 G HA3 0.569 4.530 3.960 0.001 0.000 0.295 369 G C -1.882 173.057 174.900 0.065 0.000 1.421 369 G CA -0.433 44.794 45.100 0.211 0.000 0.902 369 G HN 0.531 nan 8.290 nan 0.000 0.501 370 Y N -0.076 120.280 120.300 0.094 0.000 2.310 370 Y HA 0.623 5.173 4.550 0.001 0.000 0.326 370 Y C 0.599 176.554 175.900 0.091 0.000 1.151 370 Y CA -0.313 57.819 58.100 0.053 0.000 1.195 370 Y CB 1.791 40.264 38.460 0.021 0.000 1.210 370 Y HN 0.236 nan 8.280 nan 0.000 0.483 371 L N 4.040 125.423 121.223 0.267 0.000 2.333 371 L HA 0.497 4.838 4.340 0.001 0.000 0.280 371 L C 0.628 177.617 176.870 0.199 0.000 1.004 371 L CA -0.585 54.381 54.840 0.209 0.000 0.820 371 L CB 1.954 44.115 42.059 0.170 0.000 1.247 371 L HN 0.681 nan 8.230 nan 0.000 0.416 372 R N 1.214 121.807 120.500 0.156 0.000 2.223 372 R HA 0.184 4.525 4.340 0.001 0.000 0.198 372 R C -0.087 176.279 176.300 0.109 0.000 0.984 372 R CA 0.561 56.736 56.100 0.124 0.000 1.018 372 R CB 0.397 30.751 30.300 0.090 0.000 0.945 372 R HN 0.466 nan 8.270 nan 0.000 0.479 373 K N -0.201 120.264 120.400 0.109 0.000 2.469 373 K HA 0.286 4.607 4.320 0.001 0.000 0.268 373 K C -1.011 175.653 176.600 0.106 0.000 1.027 373 K CA -1.028 55.315 56.287 0.094 0.000 0.893 373 K CB 1.789 34.332 32.500 0.072 0.000 1.460 373 K HN -0.063 nan 8.250 nan 0.000 0.449 374 R N 0.769 121.328 120.500 0.098 0.000 2.738 374 R HA 0.233 4.574 4.340 0.001 0.000 0.268 374 R C -0.423 175.932 176.300 0.091 0.000 1.062 374 R CA -0.530 55.634 56.100 0.107 0.000 1.158 374 R CB 0.003 30.364 30.300 0.102 0.000 1.046 374 R HN 0.373 nan 8.270 nan 0.000 0.493 375 L N 2.032 123.309 121.223 0.090 0.000 2.543 375 L HA -0.014 4.326 4.340 0.001 0.000 0.285 375 L C 0.993 177.894 176.870 0.052 0.000 1.236 375 L CA 0.316 55.196 54.840 0.066 0.000 0.871 375 L CB 0.172 42.267 42.059 0.060 0.000 1.121 375 L HN 0.924 nan 8.230 nan 0.000 0.501 376 T N -2.074 112.501 114.554 0.035 0.000 2.726 376 T HA 0.045 4.396 4.350 0.001 0.000 0.294 376 T C 0.841 175.560 174.700 0.031 0.000 1.013 376 T CA -0.769 61.349 62.100 0.030 0.000 0.996 376 T CB 0.791 69.670 68.868 0.018 0.000 1.016 376 T HN 0.539 nan 8.240 nan 0.000 0.529 377 D N 0.953 121.370 120.400 0.029 0.000 2.123 377 D HA -0.142 4.499 4.640 0.001 0.000 0.196 377 D C 2.268 178.586 176.300 0.030 0.000 0.992 377 D CA 1.589 55.608 54.000 0.032 0.000 0.833 377 D CB -0.271 40.543 40.800 0.024 0.000 0.954 377 D HN 0.758 nan 8.370 nan 0.000 0.455 378 R N 1.029 121.537 120.500 0.013 0.000 2.120 378 R HA -0.068 4.273 4.340 0.001 0.000 0.234 378 R C 2.098 178.394 176.300 -0.007 0.000 1.123 378 R CA 1.047 57.148 56.100 0.001 0.000 0.975 378 R CB -0.734 29.559 30.300 -0.012 0.000 0.866 378 R HN 0.229 nan 8.270 nan 0.000 0.446 379 Q N 0.711 120.503 119.800 -0.014 0.000 2.049 379 Q HA 0.028 4.369 4.340 0.001 0.000 0.198 379 Q C 2.262 178.282 176.000 0.034 0.000 0.971 379 Q CA 1.512 57.290 55.803 -0.042 0.000 0.833 379 Q CB -0.176 28.517 28.738 -0.075 0.000 0.896 379 Q HN 0.343 nan 8.270 nan 0.000 0.434 380 I N 0.882 121.501 120.570 0.083 0.000 2.151 380 I HA -0.348 3.823 4.170 0.001 0.000 0.243 380 I C 2.599 178.867 176.117 0.252 0.000 1.080 380 I CA 1.289 62.700 61.300 0.184 0.000 1.339 380 I CB -0.290 37.797 38.000 0.145 0.000 1.039 380 I HN 0.238 nan 8.210 nan 0.000 0.409 381 Q N 1.215 121.107 119.800 0.152 0.000 2.124 381 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 381 Q C 2.127 178.199 176.000 0.121 0.000 0.977 381 Q CA 2.257 58.143 55.803 0.138 0.000 0.850 381 Q CB -0.438 28.341 28.738 0.068 0.000 0.901 381 Q HN 0.520 nan 8.270 nan 0.000 0.429 382 A N -0.662 122.189 122.820 0.052 0.000 1.933 382 A HA -0.119 4.202 4.320 0.001 0.000 0.218 382 A C 2.296 179.882 177.584 0.003 0.000 1.175 382 A CA 1.622 53.651 52.037 -0.013 0.000 0.628 382 A CB -0.779 18.169 19.000 -0.086 0.000 0.814 382 A HN 0.256 nan 8.150 nan 0.000 0.444 383 V N -1.475 118.493 119.914 0.091 0.000 2.261 383 V HA -0.293 3.827 4.120 0.001 0.000 0.246 383 V C 2.303 178.431 176.094 0.057 0.000 1.047 383 V CA 2.130 64.516 62.300 0.142 0.000 1.015 383 V CB -1.098 30.915 31.823 0.318 0.000 0.642 383 V HN 0.703 nan 8.190 nan 0.000 0.446 384 Y N 1.353 121.586 120.300 -0.111 0.000 2.069 384 Y HA -0.368 4.183 4.550 0.002 0.000 0.278 384 Y C 2.667 178.443 175.900 -0.207 0.000 1.175 384 Y CA 2.574 60.379 58.100 -0.492 0.000 1.134 384 Y CB -0.232 37.935 38.460 -0.489 0.000 0.965 384 Y HN 0.366 nan 8.280 nan 0.000 0.498 385 E N 0.383 120.573 120.200 -0.015 0.000 2.070 385 E HA -0.246 4.105 4.350 0.001 0.000 0.197 385 E C 1.853 178.458 176.600 0.008 0.000 1.004 385 E CA 2.204 58.609 56.400 0.008 0.000 0.805 385 E CB -0.482 29.220 29.700 0.005 0.000 0.744 385 E HN 0.543 nan 8.360 nan 0.000 0.451 386 N N -0.766 117.892 118.700 -0.070 0.000 2.270 386 N HA -0.086 4.655 4.740 0.001 0.000 0.181 386 N C 1.454 177.046 175.510 0.137 0.000 1.016 386 N CA 1.073 54.087 53.050 -0.060 0.000 0.870 386 N CB -0.060 38.234 38.487 -0.321 0.000 0.979 386 N HN 0.277 nan 8.380 nan 0.000 0.431 387 M N 0.320 119.914 119.600 -0.009 0.000 2.394 387 M HA 0.002 4.482 4.480 0.001 0.000 0.264 387 M C 1.402 177.455 176.300 -0.411 0.000 1.073 387 M CA 0.993 56.248 55.300 -0.075 0.000 1.111 387 M CB -1.017 31.528 32.600 -0.092 0.000 1.401 387 M HN -0.076 nan 8.290 nan 0.000 0.448 388 T N -1.291 112.994 114.554 -0.449 0.000 3.107 388 T HA 0.024 4.375 4.350 0.001 0.000 0.249 388 T C -0.289 174.091 174.700 -0.535 0.000 1.096 388 T CA 0.472 62.220 62.100 -0.587 0.000 1.012 388 T CB -0.138 68.285 68.868 -0.742 0.000 0.977 388 T HN 0.343 nan 8.240 nan 0.000 0.527 389 H N 1.540 120.518 119.070 -0.154 0.000 2.448 389 H HA 0.366 4.922 4.556 0.001 0.000 0.237 389 H C 0.170 175.504 175.328 0.009 0.000 1.391 389 H CA -0.418 55.587 56.048 -0.070 0.000 1.477 389 H CB 0.027 29.770 29.762 -0.032 0.000 1.520 389 H HN 0.207 nan 8.280 nan 0.000 0.502 390 M N -0.948 118.583 119.600 -0.114 0.000 3.189 390 M HA 0.426 4.907 4.480 0.001 0.000 0.365 390 M C -1.365 174.733 176.300 -0.337 0.000 1.447 390 M CA -0.721 54.380 55.300 -0.333 0.000 0.739 390 M CB 0.660 32.876 32.600 -0.641 0.000 1.411 390 M HN -0.022 nan 8.290 nan 0.000 0.494 391 D N 1.955 122.233 120.400 -0.204 0.000 2.390 391 D HA 0.365 5.006 4.640 0.001 0.000 0.249 391 D C 1.368 177.549 176.300 -0.198 0.000 1.144 391 D CA 1.292 55.188 54.000 -0.174 0.000 0.880 391 D CB 1.298 42.033 40.800 -0.107 0.000 1.182 391 D HN 0.783 nan 8.370 nan 0.000 0.451 392 G N 1.743 110.435 108.800 -0.180 0.000 2.143 392 G HA2 -0.222 3.738 3.960 0.001 0.000 0.249 392 G HA3 -0.222 3.738 3.960 0.001 0.000 0.249 392 G C 0.066 174.802 174.900 -0.272 0.000 0.981 392 G CA -0.353 44.647 45.100 -0.166 0.000 0.665 392 G HN 0.446 nan 8.290 nan 0.000 0.528 393 I N 1.591 121.932 120.570 -0.383 0.000 2.354 393 I HA 0.309 4.480 4.170 0.001 0.000 0.286 393 I C 0.711 176.722 176.117 -0.176 0.000 1.007 393 I CA -1.133 59.813 61.300 -0.591 0.000 1.167 393 I CB 1.203 38.630 38.000 -0.956 0.000 1.320 393 I HN -0.107 nan 8.210 nan 0.000 0.458 394 D N 4.573 125.140 120.400 0.279 0.000 2.077 394 D HA -0.185 4.456 4.640 0.001 0.000 0.193 394 D C 0.139 176.559 176.300 0.200 0.000 0.989 394 D CA 2.126 56.266 54.000 0.234 0.000 0.831 394 D CB 0.089 41.051 40.800 0.269 0.000 0.979 394 D HN 0.488 nan 8.370 nan 0.000 0.449 395 Y N -0.560 119.793 120.300 0.089 0.000 2.477 395 Y HA 0.532 5.083 4.550 0.001 0.000 0.347 395 Y C -0.459 175.412 175.900 -0.047 0.000 0.981 395 Y CA -0.694 57.413 58.100 0.012 0.000 1.033 395 Y CB 2.344 40.832 38.460 0.046 0.000 1.245 395 Y HN -0.016 nan 8.280 nan 0.000 0.455 396 G N 2.497 110.757 108.800 -0.901 0.000 2.766 396 G HA2 0.780 4.740 3.960 0.001 0.000 0.297 396 G HA3 0.780 4.740 3.960 0.001 0.000 0.297 396 G C -2.178 172.400 174.900 -0.537 0.000 1.431 396 G CA -0.243 44.431 45.100 -0.710 0.000 1.042 396 G HN 1.145 nan 8.290 nan 0.000 0.542 397 A N 0.543 123.276 122.820 -0.145 0.000 2.605 397 A HA 0.820 5.141 4.320 0.001 0.000 0.294 397 A C -1.527 176.118 177.584 0.102 0.000 1.062 397 A CA -0.557 51.478 52.037 -0.002 0.000 0.682 397 A CB 1.636 20.650 19.000 0.023 0.000 1.278 397 A HN 1.553 nan 8.150 nan 0.000 0.410 398 V N 0.691 120.709 119.914 0.173 0.000 2.540 398 V HA 0.647 4.768 4.120 0.001 0.000 0.302 398 V C -1.359 174.913 176.094 0.297 0.000 1.035 398 V CA -0.397 61.928 62.300 0.042 0.000 0.873 398 V CB 1.570 33.387 31.823 -0.009 0.000 0.992 398 V HN 0.793 nan 8.190 nan 0.000 0.428 399 W N 4.755 125.931 121.300 -0.205 0.000 2.600 399 W HA 0.745 5.406 4.660 0.001 0.000 0.325 399 W C -0.901 175.523 176.519 -0.159 0.000 1.034 399 W CA -1.335 55.931 57.345 -0.131 0.000 1.226 399 W CB 1.502 30.929 29.460 -0.055 0.000 1.379 399 W HN 0.303 nan 8.180 nan 0.000 0.466 400 L N 5.297 126.537 121.223 0.027 0.000 2.294 400 L HA 0.484 4.825 4.340 0.001 0.000 0.283 400 L C -0.241 176.631 176.870 0.002 0.000 1.015 400 L CA -0.329 54.504 54.840 -0.011 0.000 0.831 400 L CB 0.595 42.602 42.059 -0.086 0.000 1.217 400 L HN 0.193 nan 8.230 nan 0.000 0.420 401 I N 2.650 123.270 120.570 0.083 0.000 2.339 401 I HA 0.399 4.570 4.170 0.001 0.000 0.290 401 I C 1.044 177.251 176.117 0.150 0.000 0.994 401 I CA -0.449 60.960 61.300 0.181 0.000 1.191 401 I CB 1.549 39.830 38.000 0.468 0.000 1.343 401 I HN 0.626 nan 8.210 nan 0.000 0.458 402 G N 4.874 113.691 108.800 0.028 0.000 2.414 402 G HA2 0.190 4.151 3.960 0.001 0.000 0.236 402 G HA3 0.190 4.151 3.960 0.001 0.000 0.236 402 G C -1.152 174.113 174.900 0.608 0.000 1.293 402 G CA 0.435 45.583 45.100 0.079 0.000 0.869 402 G HN 0.513 nan 8.290 nan 0.000 0.556 403 Y N 0.340 120.827 120.300 0.311 0.000 2.900 403 Y HA 0.595 5.146 4.550 0.001 0.000 0.318 403 Y C 0.890 176.956 175.900 0.276 0.000 1.457 403 Y CA 0.510 58.786 58.100 0.294 0.000 1.082 403 Y CB 1.181 39.734 38.460 0.156 0.000 1.419 403 Y HN 1.493 nan 8.280 nan 0.000 0.459 404 G N 0.884 109.530 108.800 -0.257 0.000 2.527 404 G HA2 0.245 4.205 3.960 0.001 0.000 0.262 404 G HA3 0.245 4.205 3.960 0.001 0.000 0.262 404 G C 0.949 175.788 174.900 -0.102 0.000 1.153 404 G CA 0.918 45.940 45.100 -0.130 0.000 0.954 404 G HN 2.268 nan 8.290 nan 0.000 0.552 405 G N -0.141 108.664 108.800 0.008 0.000 2.634 405 G HA2 -0.173 3.787 3.960 0.001 0.000 0.309 405 G HA3 -0.173 3.787 3.960 0.001 0.000 0.309 405 G C 1.132 176.021 174.900 -0.019 0.000 1.265 405 G CA 1.872 46.980 45.100 0.012 0.000 0.998 405 G HN 1.851 nan 8.290 nan 0.000 0.551 406 K N 0.159 120.551 120.400 -0.013 0.000 2.281 406 K HA 0.099 4.420 4.320 0.001 0.000 0.203 406 K C 2.646 179.245 176.600 -0.003 0.000 1.046 406 K CA 1.821 58.111 56.287 0.005 0.000 0.938 406 K CB -0.675 31.843 32.500 0.030 0.000 0.737 406 K HN 0.468 nan 8.250 nan 0.000 0.458 407 V N 1.272 121.147 119.914 -0.066 0.000 2.392 407 V HA -0.231 3.890 4.120 0.001 0.000 0.249 407 V C 1.182 177.244 176.094 -0.054 0.000 1.059 407 V CA 1.852 64.090 62.300 -0.103 0.000 1.051 407 V CB -0.524 31.073 31.823 -0.376 0.000 0.658 407 V HN 0.374 nan 8.190 nan 0.000 0.455 408 N N 0.022 118.692 118.700 -0.050 0.000 2.383 408 N HA -0.038 4.702 4.740 0.001 0.000 0.192 408 N C 1.696 177.211 175.510 0.009 0.000 1.141 408 N CA 1.035 54.077 53.050 -0.014 0.000 0.851 408 N CB 0.005 38.488 38.487 -0.008 0.000 0.976 408 N HN 0.708 nan 8.380 nan 0.000 0.465 409 T N -3.209 111.353 114.554 0.014 0.000 3.100 409 T HA 0.143 4.493 4.350 0.001 0.000 0.253 409 T C 0.729 175.452 174.700 0.037 0.000 1.118 409 T CA -0.015 62.100 62.100 0.026 0.000 1.058 409 T CB -0.023 68.862 68.868 0.028 0.000 0.953 409 T HN -0.235 nan 8.240 nan 0.000 0.515 410 V N 1.990 121.929 119.914 0.041 0.000 2.539 410 V HA 0.354 4.474 4.120 0.001 0.000 0.292 410 V C 0.032 176.167 176.094 0.067 0.000 1.045 410 V CA -1.044 61.293 62.300 0.061 0.000 0.945 410 V CB 1.353 33.215 31.823 0.066 0.000 0.993 410 V HN 0.335 nan 8.190 nan 0.000 0.464 411 D N 5.289 125.740 120.400 0.086 0.000 2.414 411 D HA 0.183 4.824 4.640 0.001 0.000 0.242 411 D C -1.451 174.914 176.300 0.109 0.000 1.129 411 D CA -0.874 53.181 54.000 0.090 0.000 0.885 411 D CB 1.421 42.283 40.800 0.103 0.000 1.198 411 D HN 0.293 nan 8.370 nan 0.000 0.437 412 P HA -0.218 nan 4.420 nan 0.000 0.218 412 P C 0.396 177.801 177.300 0.174 0.000 1.154 412 P CA 1.408 64.571 63.100 0.105 0.000 0.872 412 P CB 0.146 31.897 31.700 0.085 0.000 0.790 413 A N -1.344 121.595 122.820 0.198 0.000 2.275 413 A HA 0.386 4.707 4.320 0.001 0.000 0.212 413 A C 2.045 179.885 177.584 0.427 0.000 1.201 413 A CA 0.773 52.985 52.037 0.292 0.000 0.843 413 A CB -0.832 18.265 19.000 0.162 0.000 0.873 413 A HN 0.167 nan 8.150 nan 0.000 0.492 414 A N -0.136 122.892 122.820 0.345 0.000 2.119 414 A HA 0.288 4.609 4.320 0.001 0.000 0.216 414 A C 1.456 179.314 177.584 0.457 0.000 1.152 414 A CA 1.557 53.833 52.037 0.398 0.000 0.708 414 A CB -0.423 18.735 19.000 0.264 0.000 0.805 414 A HN 0.655 nan 8.150 nan 0.000 0.460 415 T N -6.140 108.566 114.554 0.254 0.000 2.831 415 T HA 0.634 4.984 4.350 0.001 0.000 0.287 415 T C 0.789 175.169 174.700 -0.534 0.000 1.070 415 T CA 0.005 61.961 62.100 -0.240 0.000 1.010 415 T CB 1.355 70.122 68.868 -0.169 0.000 1.264 415 T HN 0.463 nan 8.240 nan 0.000 0.532 416 A N -0.090 122.106 122.820 -1.040 0.000 2.206 416 A HA 0.391 4.712 4.320 0.001 0.000 0.211 416 A C 0.974 178.441 177.584 -0.194 0.000 1.158 416 A CA 0.139 51.627 52.037 -0.916 0.000 0.761 416 A CB -0.836 17.555 19.000 -1.016 0.000 0.801 416 A HN 0.700 nan 8.150 nan 0.000 0.473 417 L N 1.210 122.376 121.223 -0.095 0.000 2.295 417 L HA 0.209 4.550 4.340 0.001 0.000 0.288 417 L C -1.432 175.470 176.870 0.053 0.000 1.079 417 L CA -1.537 53.333 54.840 0.050 0.000 0.830 417 L CB 1.194 43.295 42.059 0.070 0.000 1.200 417 L HN 0.139 nan 8.230 nan 0.000 0.438 418 P HA -0.077 nan 4.420 nan 0.000 0.236 418 P C 0.066 177.348 177.300 -0.031 0.000 1.177 418 P CA 0.475 63.611 63.100 0.060 0.000 0.773 418 P CB 0.405 32.165 31.700 0.100 0.000 0.878 419 Q N 0.570 120.280 119.800 -0.151 0.000 2.490 419 Q HA 0.220 4.560 4.340 0.001 0.000 0.226 419 Q C 0.562 176.484 176.000 -0.130 0.000 1.132 419 Q CA 0.108 55.728 55.803 -0.305 0.000 0.928 419 Q CB 0.463 28.601 28.738 -1.000 0.000 1.299 419 Q HN -0.082 nan 8.270 nan 0.000 0.528 420 R N 1.191 121.667 120.500 -0.040 0.000 2.652 420 R HA 0.164 4.504 4.340 0.001 0.000 0.372 420 R C -0.362 175.949 176.300 0.018 0.000 1.104 420 R CA 0.098 56.204 56.100 0.009 0.000 1.072 420 R CB 0.768 31.082 30.300 0.024 0.000 1.367 420 R HN 0.476 nan 8.270 nan 0.000 0.577 421 D N -0.305 120.110 120.400 0.024 0.000 2.480 421 D HA 0.189 4.830 4.640 0.001 0.000 0.243 421 D C 0.140 176.492 176.300 0.087 0.000 1.120 421 D CA 0.135 54.160 54.000 0.041 0.000 0.835 421 D CB 0.949 41.765 40.800 0.027 0.000 1.204 421 D HN 0.113 nan 8.370 nan 0.000 0.513 422 A N 0.984 123.889 122.820 0.141 0.000 2.425 422 A HA 0.393 4.714 4.320 0.001 0.000 0.242 422 A C 1.342 179.105 177.584 0.297 0.000 1.077 422 A CA -0.062 52.132 52.037 0.260 0.000 0.781 422 A CB 0.115 19.373 19.000 0.431 0.000 1.020 422 A HN 0.274 nan 8.150 nan 0.000 0.494 423 I N -2.156 118.583 120.570 0.281 0.000 4.312 423 I HA 0.471 4.642 4.170 0.001 0.000 0.324 423 I C -0.364 175.905 176.117 0.254 0.000 1.298 423 I CA 0.060 61.527 61.300 0.278 0.000 1.231 423 I CB 0.050 38.193 38.000 0.238 0.000 1.152 423 I HN 0.352 nan 8.210 nan 0.000 0.421 424 L N 1.374 122.726 121.223 0.215 0.000 2.465 424 L HA 0.563 4.904 4.340 0.001 0.000 0.257 424 L C -1.017 175.888 176.870 0.058 0.000 0.988 424 L CA -0.697 54.200 54.840 0.094 0.000 0.827 424 L CB 2.524 44.581 42.059 -0.003 0.000 1.397 424 L HN -0.056 nan 8.230 nan 0.000 0.410 425 K N 1.287 121.663 120.400 -0.039 0.000 2.156 425 K HA 0.723 5.044 4.320 0.001 0.000 0.254 425 K C -1.356 175.242 176.600 -0.003 0.000 0.950 425 K CA -0.788 55.407 56.287 -0.153 0.000 0.849 425 K CB 3.081 35.389 32.500 -0.319 0.000 1.100 425 K HN 0.297 nan 8.250 nan 0.000 0.434 426 V N 2.752 122.660 119.914 -0.010 0.000 2.531 426 V HA 0.399 4.520 4.120 0.001 0.000 0.301 426 V C -1.521 174.476 176.094 -0.162 0.000 1.034 426 V CA -0.710 61.544 62.300 -0.078 0.000 0.865 426 V CB 1.673 33.437 31.823 -0.099 0.000 0.995 426 V HN 0.705 nan 8.190 nan 0.000 0.424 427 N N 4.900 123.433 118.700 -0.278 0.000 2.417 427 N HA 0.561 5.301 4.740 0.001 0.000 0.300 427 N C -1.660 173.521 175.510 -0.549 0.000 1.102 427 N CA -0.156 52.675 53.050 -0.365 0.000 0.886 427 N CB 1.651 39.850 38.487 -0.481 0.000 1.203 427 N HN 0.686 nan 8.380 nan 0.000 0.496 428 Y N 0.900 121.143 120.300 -0.095 0.000 2.345 428 Y HA 0.540 5.090 4.550 0.001 0.000 0.331 428 Y C -0.087 175.739 175.900 -0.123 0.000 0.959 428 Y CA -0.615 57.453 58.100 -0.052 0.000 1.204 428 Y CB 0.845 39.340 38.460 0.057 0.000 1.135 428 Y HN 0.266 nan 8.280 nan 0.000 0.477 429 I N 2.390 122.947 120.570 -0.023 0.000 2.474 429 I HA 0.553 4.724 4.170 0.001 0.000 0.294 429 I C -0.062 176.129 176.117 0.122 0.000 1.005 429 I CA -0.549 60.714 61.300 -0.062 0.000 1.113 429 I CB 2.369 40.205 38.000 -0.273 0.000 1.289 429 I HN 0.497 nan 8.210 nan 0.000 0.436 430 T N 3.548 118.235 114.554 0.223 0.000 2.900 430 T HA 0.817 5.168 4.350 0.001 0.000 0.295 430 T C -0.630 174.290 174.700 0.367 0.000 1.044 430 T CA -0.620 61.683 62.100 0.337 0.000 0.995 430 T CB 1.601 70.776 68.868 0.510 0.000 1.072 430 T HN 0.822 nan 8.240 nan 0.000 0.473 431 G N 2.336 111.373 108.800 0.395 0.000 2.638 431 G HA2 0.690 4.651 3.960 0.001 0.000 0.302 431 G HA3 0.690 4.651 3.960 0.001 0.000 0.302 431 G C -1.799 173.166 174.900 0.107 0.000 1.365 431 G CA -0.966 44.188 45.100 0.090 0.000 0.987 431 G HN 0.828 nan 8.290 nan 0.000 0.495 432 W N 0.204 121.326 121.300 -0.298 0.000 3.022 432 W HA 0.685 5.346 4.660 0.001 0.000 0.335 432 W C 0.379 176.745 176.519 -0.255 0.000 1.133 432 W CA -0.755 56.288 57.345 -0.504 0.000 1.219 432 W CB 1.746 30.545 29.460 -1.102 0.000 1.409 432 W HN 0.716 nan 8.180 nan 0.000 0.507 433 A N 1.571 124.384 122.820 -0.011 0.000 1.930 433 A HA -0.017 4.304 4.320 0.001 0.000 0.215 433 A C 0.585 178.180 177.584 0.018 0.000 1.176 433 A CA 0.872 52.888 52.037 -0.034 0.000 0.632 433 A CB -0.436 18.561 19.000 -0.006 0.000 0.819 433 A HN 0.697 nan 8.150 nan 0.000 0.445 434 N N -0.370 118.397 118.700 0.112 0.000 2.446 434 N HA 0.265 5.006 4.740 0.001 0.000 0.265 434 N C -2.357 173.266 175.510 0.189 0.000 0.975 434 N CA -1.817 51.297 53.050 0.106 0.000 0.928 434 N CB 1.723 40.247 38.487 0.062 0.000 1.160 434 N HN -0.200 nan 8.380 nan 0.000 0.495 435 P HA -0.171 nan 4.420 nan 0.000 0.219 435 P C 1.210 178.542 177.300 0.054 0.000 1.153 435 P CA 1.427 64.619 63.100 0.153 0.000 0.865 435 P CB 0.063 31.805 31.700 0.071 0.000 0.788 436 G N -1.067 107.745 108.800 0.020 0.000 2.448 436 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 436 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 436 G C 1.196 176.057 174.900 -0.066 0.000 1.127 436 G CA 0.653 45.741 45.100 -0.021 0.000 0.766 436 G HN 0.382 nan 8.290 nan 0.000 0.552 437 N N 0.019 118.676 118.700 -0.071 0.000 2.521 437 N HA 0.048 4.788 4.740 0.001 0.000 0.188 437 N C 1.759 177.016 175.510 -0.420 0.000 1.146 437 N CA 0.111 53.092 53.050 -0.115 0.000 0.893 437 N CB 0.081 38.576 38.487 0.013 0.000 0.975 437 N HN 0.482 nan 8.380 nan 0.000 0.451 438 E N 1.640 121.460 120.200 -0.634 0.000 2.038 438 E HA -0.238 4.113 4.350 0.001 0.000 0.195 438 E C 2.006 178.178 176.600 -0.713 0.000 1.000 438 E CA 1.290 57.020 56.400 -1.115 0.000 0.803 438 E CB -0.008 29.398 29.700 -0.490 0.000 0.750 438 E HN 0.413 nan 8.360 nan 0.000 0.448 439 A N 0.910 123.519 122.820 -0.351 0.000 1.933 439 A HA -0.201 4.120 4.320 0.001 0.000 0.218 439 A C 2.086 179.563 177.584 -0.178 0.000 1.175 439 A CA 1.831 53.737 52.037 -0.217 0.000 0.628 439 A CB -0.399 18.523 19.000 -0.130 0.000 0.814 439 A HN 0.086 nan 8.150 nan 0.000 0.444 440 K N -0.297 120.005 120.400 -0.163 0.000 2.103 440 K HA -0.106 4.215 4.320 0.001 0.000 0.204 440 K C 1.668 178.177 176.600 -0.152 0.000 1.052 440 K CA 1.776 57.985 56.287 -0.130 0.000 0.945 440 K CB -0.641 31.782 32.500 -0.130 0.000 0.722 440 K HN 0.630 nan 8.250 nan 0.000 0.443 441 H N -0.055 118.845 119.070 -0.284 0.000 2.357 441 H HA 0.039 4.595 4.556 0.001 0.000 0.301 441 H C 1.800 177.086 175.328 -0.071 0.000 1.082 441 H CA 1.867 57.802 56.048 -0.188 0.000 1.342 441 H CB -0.110 29.435 29.762 -0.362 0.000 1.389 441 H HN 0.035 nan 8.280 nan 0.000 0.511 442 L N -0.509 120.640 121.223 -0.123 0.000 2.012 442 L HA -0.208 4.133 4.340 0.001 0.000 0.210 442 L C 2.379 179.248 176.870 -0.003 0.000 1.073 442 L CA 1.641 56.453 54.840 -0.047 0.000 0.748 442 L CB -0.719 41.277 42.059 -0.106 0.000 0.891 442 L HN 0.296 nan 8.230 nan 0.000 0.431 443 T N -1.191 113.353 114.554 -0.018 0.000 2.684 443 T HA -0.277 4.074 4.350 0.001 0.000 0.267 443 T C 1.348 176.063 174.700 0.025 0.000 1.036 443 T CA 1.930 64.026 62.100 -0.007 0.000 1.148 443 T CB -0.426 68.431 68.868 -0.018 0.000 0.863 443 T HN 0.497 nan 8.240 nan 0.000 0.436 444 W N 1.197 122.431 121.300 -0.111 0.000 2.353 444 W HA -0.130 4.531 4.660 0.001 0.000 0.319 444 W C 2.373 178.856 176.519 -0.061 0.000 1.207 444 W CA 0.881 58.164 57.345 -0.103 0.000 1.291 444 W CB -0.888 28.480 29.460 -0.152 0.000 1.159 444 W HN -0.014 nan 8.180 nan 0.000 0.478 445 V N 1.690 121.698 119.914 0.156 0.000 2.469 445 V HA -0.310 3.811 4.120 0.001 0.000 0.251 445 V C 2.448 178.443 176.094 -0.165 0.000 1.064 445 V CA 2.457 64.726 62.300 -0.052 0.000 1.066 445 V CB -0.502 31.437 31.823 0.193 0.000 0.667 445 V HN 0.231 nan 8.190 nan 0.000 0.461 446 R N -0.546 119.893 120.500 -0.103 0.000 2.090 446 R HA -0.090 4.250 4.340 0.001 0.000 0.228 446 R C 2.465 178.700 176.300 -0.108 0.000 1.110 446 R CA 1.425 57.474 56.100 -0.084 0.000 0.973 446 R CB -0.321 29.948 30.300 -0.051 0.000 0.869 446 R HN 0.460 nan 8.270 nan 0.000 0.440 447 K N 1.218 121.511 120.400 -0.178 0.000 2.026 447 K HA -0.138 4.183 4.320 0.001 0.000 0.208 447 K C 2.068 178.496 176.600 -0.287 0.000 1.048 447 K CA 1.127 57.286 56.287 -0.213 0.000 0.929 447 K CB -0.147 32.215 32.500 -0.229 0.000 0.713 447 K HN 0.153 nan 8.250 nan 0.000 0.439 448 L N 0.329 121.276 121.223 -0.459 0.000 2.013 448 L HA -0.259 4.082 4.340 0.001 0.000 0.212 448 L C 2.372 179.035 176.870 -0.346 0.000 1.073 448 L CA 1.778 56.332 54.840 -0.477 0.000 0.753 448 L CB -0.410 41.232 42.059 -0.695 0.000 0.890 448 L HN 0.313 nan 8.230 nan 0.000 0.432 449 Y N 0.089 120.111 120.300 -0.464 0.000 2.133 449 Y HA -0.211 4.340 4.550 0.002 0.000 0.287 449 Y C 2.513 178.259 175.900 -0.257 0.000 1.134 449 Y CA 1.576 59.380 58.100 -0.492 0.000 1.133 449 Y CB -0.546 37.709 38.460 -0.343 0.000 0.987 449 Y HN 0.255 nan 8.280 nan 0.000 0.502 450 A N 0.113 122.912 122.820 -0.034 0.000 1.908 450 A HA -0.237 4.084 4.320 0.001 0.000 0.218 450 A C 1.950 179.453 177.584 -0.135 0.000 1.181 450 A CA 2.175 54.178 52.037 -0.056 0.000 0.627 450 A CB -0.951 18.031 19.000 -0.030 0.000 0.818 450 A HN 0.524 nan 8.150 nan 0.000 0.445 451 D N -0.268 120.024 120.400 -0.181 0.000 2.092 451 D HA -0.127 4.514 4.640 0.001 0.000 0.193 451 D C 2.071 178.224 176.300 -0.245 0.000 0.994 451 D CA 1.596 55.483 54.000 -0.189 0.000 0.828 451 D CB -0.692 39.993 40.800 -0.192 0.000 0.963 451 D HN 0.190 nan 8.370 nan 0.000 0.450 452 V N 0.062 119.745 119.914 -0.384 0.000 2.324 452 V HA -0.253 3.868 4.120 0.001 0.000 0.250 452 V C 1.440 177.116 176.094 -0.697 0.000 1.060 452 V CA 1.536 63.491 62.300 -0.575 0.000 1.042 452 V CB -0.551 30.785 31.823 -0.811 0.000 0.650 452 V HN 0.261 nan 8.190 nan 0.000 0.450 453 Y N -0.546 119.576 120.300 -0.296 0.000 2.571 453 Y HA 0.556 5.107 4.550 0.001 0.000 0.275 453 Y C 1.914 177.713 175.900 -0.167 0.000 1.179 453 Y CA -0.274 57.673 58.100 -0.256 0.000 1.242 453 Y CB -0.871 37.352 38.460 -0.394 0.000 1.126 453 Y HN 0.120 nan 8.280 nan 0.000 0.524 454 A N 0.454 123.231 122.820 -0.072 0.000 1.971 454 A HA -0.283 4.038 4.320 0.001 0.000 0.222 454 A C 1.998 179.568 177.584 -0.023 0.000 1.182 454 A CA 2.150 54.157 52.037 -0.049 0.000 0.649 454 A CB -0.369 18.589 19.000 -0.070 0.000 0.818 454 A HN 0.536 nan 8.150 nan 0.000 0.458 455 E N -0.850 119.341 120.200 -0.016 0.000 2.511 455 E HA -0.033 4.318 4.350 0.001 0.000 0.196 455 E C 0.334 176.939 176.600 0.008 0.000 1.066 455 E CA 0.951 57.349 56.400 -0.004 0.000 0.871 455 E CB -0.107 29.591 29.700 -0.003 0.000 0.863 455 E HN 0.768 nan 8.360 nan 0.000 0.520 456 T N -3.423 111.141 114.554 0.018 0.000 3.741 456 T HA 0.430 4.781 4.350 0.001 0.000 0.242 456 T C 0.761 175.456 174.700 -0.008 0.000 1.042 456 T CA -0.138 61.966 62.100 0.007 0.000 1.278 456 T CB 0.622 69.495 68.868 0.008 0.000 0.994 456 T HN 0.114 nan 8.240 nan 0.000 0.594 457 G N 0.380 109.176 108.800 -0.006 0.000 2.148 457 G HA2 0.123 4.084 3.960 0.001 0.000 0.254 457 G HA3 0.123 4.084 3.960 0.001 0.000 0.254 457 G C 1.198 176.096 174.900 -0.004 0.000 0.981 457 G CA 0.430 45.525 45.100 -0.009 0.000 0.670 457 G HN 2.069 nan 8.290 nan 0.000 0.528 458 G N -2.633 106.169 108.800 0.004 0.000 2.162 458 G HA2 0.115 4.075 3.960 0.001 0.000 0.260 458 G HA3 0.115 4.075 3.960 0.001 0.000 0.260 458 G C 0.935 175.832 174.900 -0.005 0.000 0.976 458 G CA 1.647 46.757 45.100 0.017 0.000 0.655 458 G HN 2.406 nan 8.290 nan 0.000 0.533 459 V N -3.710 116.146 119.914 -0.098 0.000 3.040 459 V HA 0.909 5.030 4.120 0.001 0.000 0.312 459 V C -2.328 173.382 176.094 -0.641 0.000 1.115 459 V CA -2.092 60.004 62.300 -0.340 0.000 0.998 459 V CB 2.280 34.021 31.823 -0.136 0.000 1.042 459 V HN 0.037 nan 8.190 nan 0.000 0.433 460 P HA 0.137 nan 4.420 nan 0.000 0.231 460 P C 0.140 177.258 177.300 -0.303 0.000 1.756 460 P CA 0.079 62.679 63.100 -0.834 0.000 0.990 460 P CB -0.074 31.144 31.700 -0.803 0.000 1.973 461 V N 3.533 123.328 119.914 -0.199 0.000 2.644 461 V HA -0.038 4.082 4.120 0.001 0.000 0.305 461 V C -1.729 174.332 176.094 -0.056 0.000 1.053 461 V CA -0.779 61.459 62.300 -0.102 0.000 1.186 461 V CB -0.699 31.086 31.823 -0.063 0.000 0.895 461 V HN 0.278 nan 8.190 nan 0.000 0.490 462 P HA 0.084 nan 4.420 nan 0.000 0.261 462 P C -0.237 177.065 177.300 0.004 0.000 1.183 462 P CA 0.629 63.724 63.100 -0.008 0.000 0.761 462 P CB 0.351 32.046 31.700 -0.008 0.000 0.785 463 N N 1.364 120.076 118.700 0.020 0.000 3.243 463 N HA 0.158 4.898 4.740 0.001 0.000 0.280 463 N C -0.099 175.433 175.510 0.037 0.000 1.545 463 N CA -0.668 52.399 53.050 0.029 0.000 0.854 463 N CB 0.985 39.498 38.487 0.042 0.000 1.612 463 N HN 0.091 nan 8.380 nan 0.000 0.577 464 D N -0.683 119.741 120.400 0.038 0.000 2.277 464 D HA -0.009 4.632 4.640 0.001 0.000 0.208 464 D C 1.253 177.585 176.300 0.054 0.000 0.962 464 D CA 0.673 54.697 54.000 0.040 0.000 0.865 464 D CB 0.404 41.224 40.800 0.033 0.000 0.939 464 D HN 0.075 nan 8.370 nan 0.000 0.510 465 V N -0.651 119.303 119.914 0.066 0.000 2.690 465 V HA 0.095 4.216 4.120 0.001 0.000 0.240 465 V C 0.985 177.147 176.094 0.114 0.000 1.078 465 V CA 0.522 62.875 62.300 0.087 0.000 1.102 465 V CB 0.429 32.306 31.823 0.090 0.000 0.800 465 V HN 0.017 nan 8.190 nan 0.000 0.479 466 S N -0.184 115.583 115.700 0.112 0.000 2.681 466 S HA 0.509 4.980 4.470 0.001 0.000 0.299 466 S C -0.194 174.458 174.600 0.087 0.000 1.113 466 S CA -0.210 58.065 58.200 0.125 0.000 1.013 466 S CB 1.687 64.958 63.200 0.119 0.000 1.076 466 S HN 0.453 nan 8.310 nan 0.000 0.534 467 D N -0.183 120.282 120.400 0.108 0.000 2.914 467 D HA 0.404 5.045 4.640 0.001 0.000 0.349 467 D C 0.568 176.916 176.300 0.080 0.000 1.540 467 D CA 0.872 54.909 54.000 0.061 0.000 0.778 467 D CB -0.066 40.742 40.800 0.013 0.000 1.213 467 D HN 0.795 nan 8.370 nan 0.000 0.451 468 G N 0.583 109.413 108.800 0.049 0.000 2.512 468 G HA2 0.186 4.147 3.960 0.001 0.000 0.254 468 G HA3 0.186 4.147 3.960 0.001 0.000 0.254 468 G C 0.043 175.023 174.900 0.133 0.000 1.199 468 G CA -0.073 45.030 45.100 0.006 0.000 0.941 468 G HN 0.856 nan 8.290 nan 0.000 0.569 469 A N -1.650 121.235 122.820 0.107 0.000 2.486 469 A HA 0.752 5.073 4.320 0.001 0.000 0.289 469 A C -1.231 176.662 177.584 0.516 0.000 1.176 469 A CA 0.095 52.232 52.037 0.165 0.000 0.757 469 A CB 1.765 20.665 19.000 -0.167 0.000 1.337 469 A HN 2.067 nan 8.150 nan 0.000 0.423 470 Y N 1.149 121.646 120.300 0.329 0.000 2.342 470 Y HA 0.459 5.010 4.550 0.002 0.000 0.338 470 Y C 0.701 176.750 175.900 0.249 0.000 0.965 470 Y CA -1.562 56.685 58.100 0.245 0.000 1.159 470 Y CB 1.215 39.527 38.460 -0.245 0.000 1.157 470 Y HN 0.565 nan 8.280 nan 0.000 0.486 471 I N 4.310 124.860 120.570 -0.032 0.000 2.454 471 I HA -0.231 3.940 4.170 0.001 0.000 0.254 471 I C 1.395 177.237 176.117 -0.458 0.000 1.156 471 I CA 1.374 62.409 61.300 -0.441 0.000 1.433 471 I CB -0.362 37.478 38.000 -0.267 0.000 1.082 471 I HN 0.667 nan 8.210 nan 0.000 0.432 472 N N -0.301 117.878 118.700 -0.869 0.000 2.571 472 N HA -0.086 4.655 4.740 0.001 0.000 0.189 472 N C -0.469 174.835 175.510 -0.343 0.000 1.154 472 N CA 0.595 53.216 53.050 -0.715 0.000 0.907 472 N CB -0.020 37.911 38.487 -0.927 0.000 0.977 472 N HN 0.315 nan 8.380 nan 0.000 0.449 473 Y N 0.505 120.651 120.300 -0.257 0.000 2.553 473 Y HA 0.380 4.930 4.550 0.001 0.000 0.369 473 Y C -2.117 173.801 175.900 0.030 0.000 0.964 473 Y CA -3.500 54.605 58.100 0.009 0.000 1.156 473 Y CB 0.029 38.496 38.460 0.013 0.000 1.218 473 Y HN -0.049 nan 8.280 nan 0.000 0.630 474 P HA 0.105 nan 4.420 nan 0.000 0.269 474 P C -0.333 177.021 177.300 0.090 0.000 1.209 474 P CA 0.185 63.316 63.100 0.052 0.000 0.776 474 P CB 1.689 33.331 31.700 -0.097 0.000 0.876 475 D N 0.801 121.314 120.400 0.188 0.000 2.479 475 D HA 0.113 4.753 4.640 0.001 0.000 0.246 475 D C 0.946 177.304 176.300 0.098 0.000 1.336 475 D CA -0.467 53.589 54.000 0.093 0.000 0.967 475 D CB 0.888 41.709 40.800 0.036 0.000 1.275 475 D HN 0.154 nan 8.370 nan 0.000 0.577 476 S N 2.088 117.812 115.700 0.041 0.000 2.474 476 S HA -0.127 4.344 4.470 0.001 0.000 0.235 476 S C 1.137 175.744 174.600 0.012 0.000 0.997 476 S CA 0.475 58.684 58.200 0.014 0.000 0.949 476 S CB 0.049 63.259 63.200 0.017 0.000 0.766 476 S HN 0.377 nan 8.310 nan 0.000 0.517 477 D N 2.272 122.680 120.400 0.014 0.000 2.221 477 D HA -0.028 4.613 4.640 0.001 0.000 0.204 477 D C 1.732 178.051 176.300 0.032 0.000 0.982 477 D CA 0.799 54.803 54.000 0.006 0.000 0.857 477 D CB -0.389 40.388 40.800 -0.038 0.000 0.934 477 D HN 0.431 nan 8.370 nan 0.000 0.475 478 L N 0.107 121.363 121.223 0.056 0.000 2.201 478 L HA -0.020 4.321 4.340 0.001 0.000 0.212 478 L C 2.051 179.015 176.870 0.156 0.000 1.105 478 L CA 0.781 55.680 54.840 0.099 0.000 0.775 478 L CB -0.328 41.797 42.059 0.110 0.000 0.913 478 L HN -0.034 nan 8.230 nan 0.000 0.440 479 A N -1.526 121.360 122.820 0.110 0.000 2.278 479 A HA -0.031 4.290 4.320 0.001 0.000 0.212 479 A C 0.493 178.131 177.584 0.091 0.000 1.213 479 A CA 0.047 52.161 52.037 0.129 0.000 0.840 479 A CB -0.317 18.616 19.000 -0.112 0.000 0.866 479 A HN 0.218 nan 8.150 nan 0.000 0.489 480 D N 0.383 120.821 120.400 0.065 0.000 2.349 480 D HA 0.233 4.874 4.640 0.001 0.000 0.232 480 D C -1.934 174.394 176.300 0.046 0.000 1.071 480 D CA -1.641 52.387 54.000 0.047 0.000 0.832 480 D CB 1.892 42.711 40.800 0.031 0.000 1.086 480 D HN 0.044 nan 8.370 nan 0.000 0.504 481 P HA -0.004 nan 4.420 nan 0.000 0.229 481 P C 1.243 178.557 177.300 0.024 0.000 1.160 481 P CA 0.369 63.490 63.100 0.035 0.000 0.777 481 P CB 0.369 32.090 31.700 0.035 0.000 0.814 482 G N 0.096 108.910 108.800 0.022 0.000 2.422 482 G HA2 -0.132 3.829 3.960 0.001 0.000 0.218 482 G HA3 -0.132 3.829 3.960 0.001 0.000 0.218 482 G C 1.364 176.273 174.900 0.015 0.000 1.140 482 G CA 0.417 45.525 45.100 0.014 0.000 0.775 482 G HN 0.137 nan 8.290 nan 0.000 0.545 483 L N -0.196 121.040 121.223 0.022 0.000 2.388 483 L HA 0.254 4.595 4.340 0.001 0.000 0.209 483 L C 0.424 177.319 176.870 0.040 0.000 1.061 483 L CA 0.391 55.248 54.840 0.029 0.000 0.834 483 L CB -0.831 41.245 42.059 0.029 0.000 1.029 483 L HN 0.175 nan 8.230 nan 0.000 0.473 484 N N 0.396 119.119 118.700 0.038 0.000 2.501 484 N HA 0.087 4.828 4.740 0.001 0.000 0.245 484 N C 0.563 176.084 175.510 0.018 0.000 0.974 484 N CA 0.282 53.351 53.050 0.031 0.000 0.941 484 N CB 1.089 39.600 38.487 0.039 0.000 1.122 484 N HN 0.130 nan 8.380 nan 0.000 0.507 485 T N -0.858 113.701 114.554 0.009 0.000 3.044 485 T HA 0.141 4.492 4.350 0.001 0.000 0.260 485 T C 0.806 175.504 174.700 -0.003 0.000 1.019 485 T CA -0.323 61.780 62.100 0.004 0.000 0.921 485 T CB -0.371 68.499 68.868 0.003 0.000 1.053 485 T HN 0.357 nan 8.240 nan 0.000 0.533 486 S N 0.552 116.246 115.700 -0.010 0.000 2.617 486 S HA 0.477 4.948 4.470 0.001 0.000 0.259 486 S C 1.321 175.911 174.600 -0.017 0.000 1.301 486 S CA -0.101 58.089 58.200 -0.018 0.000 0.984 486 S CB 0.453 63.633 63.200 -0.033 0.000 0.954 486 S HN 0.409 nan 8.310 nan 0.000 0.572 487 G N -0.395 108.394 108.800 -0.018 0.000 3.424 487 G HA2 0.431 4.392 3.960 0.001 0.000 0.263 487 G HA3 0.431 4.392 3.960 0.001 0.000 0.263 487 G C -0.404 174.476 174.900 -0.034 0.000 1.310 487 G CA -0.399 44.691 45.100 -0.017 0.000 1.089 487 G HN 0.598 nan 8.290 nan 0.000 0.534 488 V N 2.192 122.075 119.914 -0.051 0.000 2.350 488 V HA 0.315 4.436 4.120 0.001 0.000 0.285 488 V C -2.089 173.923 176.094 -0.136 0.000 1.014 488 V CA -2.012 60.235 62.300 -0.088 0.000 0.831 488 V CB 2.057 33.830 31.823 -0.084 0.000 1.000 488 V HN 0.091 nan 8.190 nan 0.000 0.433 489 P HA 0.044 nan 4.420 nan 0.000 0.271 489 P C 1.207 178.190 177.300 -0.528 0.000 1.218 489 P CA -0.379 62.462 63.100 -0.433 0.000 0.780 489 P CB 0.702 31.933 31.700 -0.783 0.000 0.901 490 W N 4.641 125.753 121.300 -0.313 0.000 2.290 490 W HA -0.314 4.347 4.660 0.001 0.000 0.318 490 W C 1.294 177.719 176.519 -0.156 0.000 1.248 490 W CA 2.174 59.407 57.345 -0.187 0.000 1.263 490 W CB -2.316 27.153 29.460 0.014 0.000 1.147 490 W HN 0.532 nan 8.180 nan 0.000 0.494 491 H N -0.441 117.988 119.070 -1.069 0.000 2.428 491 H HA -0.015 4.542 4.556 0.001 0.000 0.296 491 H C 1.338 176.380 175.328 -0.476 0.000 1.062 491 H CA 1.496 56.945 56.048 -0.999 0.000 1.350 491 H CB -1.242 27.469 29.762 -1.753 0.000 1.403 491 H HN 0.023 nan 8.280 nan 0.000 0.533 492 D N 0.679 120.898 120.400 -0.301 0.000 2.219 492 D HA -0.057 4.583 4.640 0.001 0.000 0.205 492 D C 2.095 178.335 176.300 -0.101 0.000 0.970 492 D CA 0.720 54.663 54.000 -0.094 0.000 0.851 492 D CB -0.110 40.639 40.800 -0.085 0.000 0.943 492 D HN 0.389 nan 8.370 nan 0.000 0.488 493 L N -0.509 120.595 121.223 -0.198 0.000 2.056 493 L HA -0.184 4.157 4.340 0.001 0.000 0.207 493 L C 2.143 178.868 176.870 -0.242 0.000 1.078 493 L CA 1.057 55.754 54.840 -0.238 0.000 0.749 493 L CB -0.436 41.419 42.059 -0.339 0.000 0.901 493 L HN 0.069 nan 8.230 nan 0.000 0.433 494 Y N -1.791 118.445 120.300 -0.106 0.000 2.243 494 Y HA -0.138 4.413 4.550 0.001 0.000 0.293 494 Y C 1.917 177.693 175.900 -0.207 0.000 1.124 494 Y CA 1.062 59.018 58.100 -0.241 0.000 1.159 494 Y CB -0.259 37.828 38.460 -0.621 0.000 1.008 494 Y HN 0.049 nan 8.280 nan 0.000 0.527 495 Y N -1.262 119.183 120.300 0.241 0.000 2.430 495 Y HA 0.205 4.756 4.550 0.001 0.000 0.248 495 Y C 1.194 177.184 175.900 0.150 0.000 1.108 495 Y CA -1.007 57.212 58.100 0.198 0.000 1.264 495 Y CB -0.119 38.481 38.460 0.233 0.000 1.172 495 Y HN -0.130 nan 8.280 nan 0.000 0.520 496 K N -0.436 120.092 120.400 0.213 0.000 1.770 496 K HA -0.317 4.003 4.320 0.001 0.000 0.116 496 K C 1.677 178.389 176.600 0.188 0.000 1.151 496 K CA 1.440 57.814 56.287 0.144 0.000 0.383 496 K CB -1.570 30.987 32.500 0.095 0.000 0.607 496 K HN 0.417 nan 8.250 nan 0.000 0.907 497 G N 0.606 109.502 108.800 0.161 0.000 2.679 497 G HA2 -0.141 3.820 3.960 0.001 0.000 0.212 497 G HA3 -0.141 3.820 3.960 0.001 0.000 0.212 497 G C 0.857 175.876 174.900 0.198 0.000 1.137 497 G CA 0.772 45.964 45.100 0.153 0.000 0.787 497 G HN 0.350 nan 8.290 nan 0.000 0.534 498 N N -0.197 118.671 118.700 0.279 0.000 2.336 498 N HA 0.028 4.769 4.740 0.001 0.000 0.189 498 N C 1.484 177.195 175.510 0.336 0.000 1.113 498 N CA 0.112 53.390 53.050 0.380 0.000 0.858 498 N CB -0.056 38.712 38.487 0.468 0.000 0.970 498 N HN 0.415 nan 8.380 nan 0.000 0.471 499 H N 1.926 121.098 119.070 0.169 0.000 2.319 499 H HA -0.005 4.551 4.556 0.001 0.000 0.299 499 H C -0.854 174.473 175.328 -0.001 0.000 1.092 499 H CA 1.673 57.756 56.048 0.058 0.000 1.302 499 H CB -0.824 28.978 29.762 0.067 0.000 1.373 499 H HN 0.114 nan 8.280 nan 0.000 0.497 500 P HA -0.142 nan 4.420 nan 0.000 0.215 500 P C 1.455 178.676 177.300 -0.132 0.000 1.153 500 P CA 1.770 64.774 63.100 -0.161 0.000 0.853 500 P CB -0.083 31.579 31.700 -0.063 0.000 0.788 501 R N -0.147 120.310 120.500 -0.073 0.000 2.096 501 R HA -0.084 4.257 4.340 0.001 0.000 0.235 501 R C 2.174 178.487 176.300 0.022 0.000 1.127 501 R CA 1.155 57.186 56.100 -0.114 0.000 0.968 501 R CB -0.838 29.234 30.300 -0.380 0.000 0.861 501 R HN 0.167 nan 8.270 nan 0.000 0.440 502 L N -0.003 121.288 121.223 0.112 0.000 2.131 502 L HA -0.149 4.192 4.340 0.001 0.000 0.210 502 L C 2.582 179.466 176.870 0.024 0.000 1.092 502 L CA 1.368 56.269 54.840 0.101 0.000 0.759 502 L CB -0.309 41.713 42.059 -0.062 0.000 0.903 502 L HN 0.174 nan 8.230 nan 0.000 0.435 503 R N 0.118 120.524 120.500 -0.157 0.000 2.073 503 R HA -0.158 4.183 4.340 0.001 0.000 0.229 503 R C 2.285 178.563 176.300 -0.036 0.000 1.120 503 R CA 1.115 57.129 56.100 -0.144 0.000 0.967 503 R CB -0.302 29.817 30.300 -0.302 0.000 0.862 503 R HN 0.287 nan 8.270 nan 0.000 0.436 504 K N 1.238 121.611 120.400 -0.045 0.000 2.044 504 K HA -0.169 4.152 4.320 0.001 0.000 0.210 504 K C 1.880 178.509 176.600 0.049 0.000 1.049 504 K CA 1.855 58.134 56.287 -0.015 0.000 0.927 504 K CB -0.069 32.404 32.500 -0.044 0.000 0.713 504 K HN 0.006 nan 8.250 nan 0.000 0.443 505 V N 1.478 121.447 119.914 0.092 0.000 2.427 505 V HA -0.200 3.921 4.120 0.001 0.000 0.248 505 V C 2.424 178.699 176.094 0.302 0.000 1.051 505 V CA 2.013 64.419 62.300 0.178 0.000 1.048 505 V CB -0.561 31.250 31.823 -0.020 0.000 0.666 505 V HN 0.380 nan 8.190 nan 0.000 0.456 506 K N 1.557 122.164 120.400 0.345 0.000 2.063 506 K HA -0.141 4.180 4.320 0.001 0.000 0.208 506 K C 2.004 178.730 176.600 0.209 0.000 1.048 506 K CA 1.977 58.483 56.287 0.365 0.000 0.928 506 K CB -0.714 31.922 32.500 0.228 0.000 0.713 506 K HN 0.401 nan 8.250 nan 0.000 0.442 507 A N -0.072 122.814 122.820 0.111 0.000 1.968 507 A HA 0.134 4.455 4.320 0.001 0.000 0.217 507 A C 2.254 179.844 177.584 0.010 0.000 1.169 507 A CA 1.521 53.588 52.037 0.051 0.000 0.638 507 A CB -0.670 18.336 19.000 0.011 0.000 0.812 507 A HN 0.406 nan 8.150 nan 0.000 0.446 508 A N -1.871 120.930 122.820 -0.032 0.000 1.970 508 A HA 0.143 4.464 4.320 0.001 0.000 0.216 508 A C 1.804 179.142 177.584 -0.411 0.000 1.170 508 A CA 1.285 53.167 52.037 -0.258 0.000 0.645 508 A CB -0.402 18.369 19.000 -0.382 0.000 0.816 508 A HN 0.574 nan 8.150 nan 0.000 0.447 509 Y N -2.071 118.290 120.300 0.102 0.000 2.444 509 Y HA 0.244 4.795 4.550 0.001 0.000 0.252 509 Y C 0.454 176.453 175.900 0.165 0.000 1.091 509 Y CA -0.041 58.128 58.100 0.115 0.000 1.276 509 Y CB 0.735 39.252 38.460 0.094 0.000 1.170 509 Y HN 0.257 nan 8.280 nan 0.000 0.517 510 D N 0.477 121.060 120.400 0.304 0.000 2.886 510 D HA 0.196 4.837 4.640 0.001 0.000 0.355 510 D C -2.021 174.390 176.300 0.184 0.000 1.274 510 D CA -2.311 51.861 54.000 0.287 0.000 0.836 510 D CB 0.603 41.620 40.800 0.362 0.000 1.109 510 D HN -0.023 nan 8.370 nan 0.000 0.488 511 P HA -0.165 nan 4.420 nan 0.000 0.216 511 P C 1.088 178.430 177.300 0.070 0.000 1.150 511 P CA 0.770 63.913 63.100 0.072 0.000 0.837 511 P CB 0.331 32.055 31.700 0.039 0.000 0.786 512 R N -1.152 119.400 120.500 0.087 0.000 2.307 512 R HA -0.003 4.337 4.340 0.001 0.000 0.199 512 R C 0.704 177.054 176.300 0.083 0.000 1.000 512 R CA 0.360 56.505 56.100 0.075 0.000 1.023 512 R CB -0.901 29.445 30.300 0.077 0.000 0.908 512 R HN 0.101 nan 8.270 nan 0.000 0.473 513 N N 0.240 119.008 118.700 0.113 0.000 2.740 513 N HA -0.268 4.473 4.740 0.001 0.000 0.248 513 N C 0.486 176.087 175.510 0.152 0.000 1.062 513 N CA 0.585 53.703 53.050 0.113 0.000 0.704 513 N CB -1.433 37.065 38.487 0.019 0.000 0.968 513 N HN 0.473 nan 8.380 nan 0.000 0.547 514 H N -0.992 118.090 119.070 0.019 0.000 2.456 514 H HA -0.048 4.509 4.556 0.001 0.000 0.296 514 H C -0.305 174.802 175.328 -0.369 0.000 1.079 514 H CA 1.189 57.112 56.048 -0.208 0.000 1.322 514 H CB 0.102 29.609 29.762 -0.425 0.000 1.388 514 H HN 0.317 nan 8.280 nan 0.000 0.538 515 F N 2.506 122.485 119.950 0.048 0.000 2.347 515 F HA 0.292 4.820 4.527 0.001 0.000 0.366 515 F C 0.315 176.044 175.800 -0.119 0.000 1.107 515 F CA -0.596 57.346 58.000 -0.096 0.000 1.058 515 F CB 0.782 39.762 39.000 -0.034 0.000 1.236 515 F HN 0.156 nan 8.300 nan 0.000 0.456 516 H N 1.527 120.541 119.070 -0.094 0.000 2.990 516 H HA 0.628 5.185 4.556 0.001 0.000 0.336 516 H C -1.502 173.674 175.328 -0.252 0.000 1.306 516 H CA -0.855 55.040 56.048 -0.254 0.000 1.118 516 H CB 2.378 32.028 29.762 -0.186 0.000 1.856 516 H HN 0.701 nan 8.280 nan 0.000 0.538 517 H N -1.960 117.019 119.070 -0.152 0.000 2.863 517 H HA 0.449 5.006 4.556 0.001 0.000 0.274 517 H C 0.184 175.357 175.328 -0.259 0.000 1.457 517 H CA -0.318 55.563 56.048 -0.278 0.000 1.151 517 H CB 1.066 30.472 29.762 -0.593 0.000 1.844 517 H HN 0.621 nan 8.280 nan 0.000 0.562 518 A N 0.432 123.266 122.820 0.024 0.000 1.927 518 A HA -0.148 4.173 4.320 0.001 0.000 0.220 518 A C 1.221 178.654 177.584 -0.252 0.000 1.185 518 A CA 2.185 54.211 52.037 -0.020 0.000 0.639 518 A CB -0.456 18.619 19.000 0.125 0.000 0.820 518 A HN 0.276 nan 8.150 nan 0.000 0.451 519 L N 0.562 121.591 121.223 -0.324 0.000 3.154 519 L HA 0.228 4.568 4.340 0.001 0.000 0.266 519 L C 0.630 177.162 176.870 -0.563 0.000 1.300 519 L CA -0.021 54.365 54.840 -0.756 0.000 1.028 519 L CB -0.266 41.499 42.059 -0.490 0.000 1.412 519 L HN 0.373 nan 8.230 nan 0.000 0.564 520 S N -1.111 114.209 115.700 -0.634 0.000 2.562 520 S HA 0.611 5.082 4.470 0.001 0.000 0.275 520 S C 0.362 175.005 174.600 0.072 0.000 1.281 520 S CA -0.670 57.201 58.200 -0.549 0.000 1.045 520 S CB 1.240 63.945 63.200 -0.826 0.000 0.962 520 S HN 0.165 nan 8.310 nan 0.000 0.503 521 I N 2.326 122.961 120.570 0.110 0.000 2.752 521 I HA 0.057 4.228 4.170 0.001 0.000 0.289 521 I C 0.721 176.891 176.117 0.089 0.000 1.197 521 I CA 0.246 61.653 61.300 0.179 0.000 1.432 521 I CB 0.120 38.126 38.000 0.011 0.000 1.359 521 I HN 0.563 nan 8.210 nan 0.000 0.571 522 R N 7.425 128.003 120.500 0.130 0.000 2.486 522 R HA 0.456 4.797 4.340 0.001 0.000 0.286 522 R C -2.176 174.136 176.300 0.020 0.000 0.999 522 R CA -1.479 54.666 56.100 0.075 0.000 0.993 522 R CB 0.037 30.405 30.300 0.113 0.000 1.084 522 R HN 0.359 nan 8.270 nan 0.000 0.487 523 P HA 0.000 nan 4.420 nan 0.000 0.216 523 P CA 0.000 63.102 63.100 0.003 0.000 0.800 523 P CB 0.000 31.707 31.700 0.011 0.000 0.726