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 3ipo_1_B DATA FIRST_RESID 20 DATA SEQUENCE SSWAAELAKP LTLDQLQQQN GKAIDTRPSA FYNGWPQTLN GPSGHELAAL DATA SEQUENCE NLSASWLDKM STEQLNAWIK QHNLKTDAPV ALYGNDKDVD AVKTRLQKAG DATA SEQUENCE LTHISILSDA LSEPSRLQKL PHFEQLVYPQ WLHDLQQGKE VTAKPAGDWK DATA SEQUENCE VIEAAWGAPK LYLISHIPGA DYIDTNEVES EPLWNKVSDE QLKAMLAKHG DATA SEQUENCE IRHDTTVILY GRDVYAAARV AQIMLYAGVK DVRLLDGGWQ TWSDAGLPVE DATA SEQUENCE RGTPPKVKAE PDFGVKIPAQ PQLMLDMEQA RGLLHRQDAS LVSIRSWPEF DATA SEQUENCE IGTTSGYSYI KPKGEIAGAR WGHAGSDSTH MEDFHNPDGT MRSADDITAM DATA SEQUENCE WKAWNIKPEQ QVSFYXGTGW RASETFMYAR AMGWKNVSVY DGGWYEWSSD DATA SEQUENCE PKNPVATGER GPDSSK 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.558 174.600 -0.069 0.000 1.055 20 S CA 0.000 58.213 58.200 0.021 0.000 1.107 20 S CB 0.000 63.204 63.200 0.007 0.000 0.593 21 S N 0.364 115.946 115.700 -0.197 0.000 2.522 21 S HA 0.084 4.555 4.470 0.002 0.000 0.227 21 S C 1.096 175.384 174.600 -0.520 0.000 0.986 21 S CA 0.596 58.560 58.200 -0.394 0.000 0.929 21 S CB -0.624 62.252 63.200 -0.540 0.000 0.769 21 S HN 0.740 nan 8.310 nan 0.000 0.529 22 W N 2.095 123.386 121.300 -0.014 0.000 2.812 22 W HA 0.565 5.226 4.660 0.002 0.000 0.263 22 W C 1.225 177.737 176.519 -0.013 0.000 1.284 22 W CA -0.414 56.923 57.345 -0.013 0.000 1.430 22 W CB -0.334 29.120 29.460 -0.010 0.000 1.088 22 W HN 0.206 nan 8.180 nan 0.000 0.623 23 A N 1.287 124.192 122.820 0.143 0.000 2.622 23 A HA 0.242 4.563 4.320 0.002 0.000 0.235 23 A C 1.124 178.744 177.584 0.061 0.000 1.013 23 A CA 1.356 53.442 52.037 0.081 0.000 0.765 23 A CB 0.091 19.110 19.000 0.031 0.000 0.921 23 A HN 0.479 nan 8.150 nan 0.000 0.506 24 A N 1.999 124.852 122.820 0.056 0.000 2.551 24 A HA 0.330 4.651 4.320 0.002 0.000 0.252 24 A C 0.549 178.150 177.584 0.028 0.000 1.199 24 A CA -0.175 51.888 52.037 0.043 0.000 0.972 24 A CB 0.101 19.132 19.000 0.052 0.000 1.153 24 A HN 0.768 nan 8.150 nan 0.000 0.559 25 E N 0.362 120.579 120.200 0.027 0.000 2.398 25 E HA 0.172 4.523 4.350 0.002 0.000 0.263 25 E C -0.493 176.119 176.600 0.020 0.000 1.046 25 E CA 0.014 56.428 56.400 0.023 0.000 0.908 25 E CB 0.816 30.531 29.700 0.025 0.000 0.963 25 E HN 0.377 nan 8.360 nan 0.000 0.431 26 L N 1.799 123.033 121.223 0.018 0.000 2.367 26 L HA 0.133 4.474 4.340 0.002 0.000 0.275 26 L C 0.531 177.416 176.870 0.026 0.000 1.129 26 L CA -0.474 54.376 54.840 0.017 0.000 0.839 26 L CB 0.791 42.858 42.059 0.013 0.000 1.133 26 L HN 0.534 nan 8.230 nan 0.000 0.453 27 A N 5.474 128.315 122.820 0.034 0.000 2.546 27 A HA 0.030 4.352 4.320 0.002 0.000 0.243 27 A C 0.358 177.964 177.584 0.038 0.000 1.063 27 A CA -0.086 51.983 52.037 0.053 0.000 0.757 27 A CB 0.057 19.104 19.000 0.079 0.000 0.991 27 A HN 0.705 nan 8.150 nan 0.000 0.503 28 K N 3.703 124.123 120.400 0.033 0.000 2.448 28 K HA 0.130 4.451 4.320 0.002 0.000 0.278 28 K C -2.558 174.053 176.600 0.019 0.000 1.009 28 K CA -0.880 55.419 56.287 0.020 0.000 0.995 28 K CB 0.187 32.696 32.500 0.014 0.000 0.917 28 K HN 0.354 nan 8.250 nan 0.000 0.481 29 P HA 0.086 nan 4.420 nan 0.000 0.268 29 P C -0.784 176.522 177.300 0.010 0.000 1.208 29 P CA -0.028 63.080 63.100 0.014 0.000 0.777 29 P CB 0.457 32.161 31.700 0.008 0.000 0.875 30 L N 0.918 122.148 121.223 0.012 0.000 2.386 30 L HA 0.427 4.768 4.340 0.002 0.000 0.271 30 L C 0.766 177.636 176.870 0.000 0.000 0.993 30 L CA -0.851 53.993 54.840 0.006 0.000 0.819 30 L CB 2.176 44.242 42.059 0.011 0.000 1.294 30 L HN 0.383 nan 8.230 nan 0.000 0.414 31 T N -1.000 113.549 114.554 -0.007 0.000 2.860 31 T HA 0.131 4.482 4.350 0.002 0.000 0.299 31 T C 1.026 175.718 174.700 -0.013 0.000 1.045 31 T CA -0.560 61.531 62.100 -0.016 0.000 1.071 31 T CB 1.172 70.029 68.868 -0.019 0.000 0.985 31 T HN 0.488 nan 8.240 nan 0.000 0.537 32 L N 1.079 122.287 121.223 -0.024 0.000 2.043 32 L HA -0.085 4.256 4.340 0.002 0.000 0.212 32 L C 2.015 178.879 176.870 -0.010 0.000 1.075 32 L CA 2.055 56.885 54.840 -0.017 0.000 0.752 32 L CB -1.026 41.012 42.059 -0.035 0.000 0.891 32 L HN 0.756 nan 8.230 nan 0.000 0.432 33 D N -0.805 119.586 120.400 -0.015 0.000 2.133 33 D HA -0.242 4.399 4.640 0.002 0.000 0.195 33 D C 2.220 178.515 176.300 -0.008 0.000 0.997 33 D CA 1.546 55.539 54.000 -0.012 0.000 0.840 33 D CB -0.152 40.640 40.800 -0.014 0.000 0.947 33 D HN 0.534 nan 8.370 nan 0.000 0.452 34 Q N -0.461 119.334 119.800 -0.008 0.000 2.046 34 Q HA -0.090 4.252 4.340 0.002 0.000 0.200 34 Q C 2.220 178.218 176.000 -0.003 0.000 0.975 34 Q CA 0.508 56.306 55.803 -0.007 0.000 0.836 34 Q CB -0.154 28.579 28.738 -0.008 0.000 0.896 34 Q HN 0.174 nan 8.270 nan 0.000 0.428 35 L N 1.027 122.252 121.223 0.003 0.000 2.012 35 L HA -0.268 4.073 4.340 0.002 0.000 0.210 35 L C 2.100 178.976 176.870 0.011 0.000 1.073 35 L CA 1.889 56.736 54.840 0.012 0.000 0.748 35 L CB -0.317 41.757 42.059 0.026 0.000 0.891 35 L HN 0.206 nan 8.230 nan 0.000 0.431 36 Q N -1.430 118.376 119.800 0.009 0.000 2.079 36 Q HA -0.245 4.096 4.340 0.002 0.000 0.200 36 Q C 2.232 178.234 176.000 0.003 0.000 0.974 36 Q CA 1.412 57.220 55.803 0.008 0.000 0.840 36 Q CB -0.384 28.358 28.738 0.007 0.000 0.898 36 Q HN 0.507 nan 8.270 nan 0.000 0.430 37 Q N 1.134 120.932 119.800 -0.002 0.000 2.133 37 Q HA -0.239 4.102 4.340 0.002 0.000 0.208 37 Q C 1.201 177.197 176.000 -0.007 0.000 0.991 37 Q CA 1.792 57.592 55.803 -0.005 0.000 0.867 37 Q CB 0.034 28.767 28.738 -0.008 0.000 0.911 37 Q HN 0.494 nan 8.270 nan 0.000 0.417 38 Q N -0.268 119.527 119.800 -0.007 0.000 2.280 38 Q HA 0.084 4.425 4.340 0.002 0.000 0.201 38 Q C -0.342 175.655 176.000 -0.005 0.000 0.890 38 Q CA -0.197 55.599 55.803 -0.012 0.000 0.947 38 Q CB 0.496 29.222 28.738 -0.021 0.000 1.081 38 Q HN 0.312 nan 8.270 nan 0.000 0.502 39 N N 0.367 119.068 118.700 0.002 0.000 2.721 39 N HA -0.150 4.591 4.740 0.002 0.000 0.249 39 N C -0.103 175.414 175.510 0.012 0.000 1.072 39 N CA 1.029 54.083 53.050 0.007 0.000 0.710 39 N CB -1.309 37.180 38.487 0.003 0.000 0.993 39 N HN 0.472 nan 8.380 nan 0.000 0.547 40 G N -0.485 108.325 108.800 0.016 0.000 2.563 40 G HA2 0.508 4.470 3.960 0.002 0.000 0.283 40 G HA3 0.508 4.470 3.960 0.002 0.000 0.283 40 G C -0.027 174.895 174.900 0.037 0.000 1.309 40 G CA -0.273 44.843 45.100 0.026 0.000 1.022 40 G HN 0.138 nan 8.290 nan 0.000 0.501 41 K N -0.683 119.745 120.400 0.047 0.000 2.292 41 K HA 0.625 4.946 4.320 0.002 0.000 0.257 41 K C -0.111 176.538 176.600 0.082 0.000 0.940 41 K CA -0.237 56.086 56.287 0.059 0.000 0.811 41 K CB 1.963 34.492 32.500 0.047 0.000 1.120 41 K HN 0.644 nan 8.250 nan 0.000 0.428 42 A N 3.783 126.670 122.820 0.111 0.000 2.304 42 A HA 0.704 5.026 4.320 0.002 0.000 0.301 42 A C -0.670 176.987 177.584 0.122 0.000 1.132 42 A CA -0.554 51.582 52.037 0.166 0.000 0.819 42 A CB 0.261 19.418 19.000 0.261 0.000 1.094 42 A HN 0.722 nan 8.150 nan 0.000 0.492 43 I N 1.894 122.492 120.570 0.046 0.000 2.468 43 I HA 0.194 4.365 4.170 0.002 0.000 0.285 43 I C -1.084 174.782 176.117 -0.419 0.000 1.039 43 I CA -0.585 60.653 61.300 -0.102 0.000 1.074 43 I CB 1.967 39.931 38.000 -0.061 0.000 1.228 43 I HN 0.600 nan 8.210 nan 0.000 0.436 44 D N 4.901 124.970 120.400 -0.551 0.000 2.339 44 D HA 0.097 4.738 4.640 0.002 0.000 0.241 44 D C 1.121 177.071 176.300 -0.582 0.000 1.183 44 D CA -0.070 53.388 54.000 -0.903 0.000 0.859 44 D CB 1.432 42.013 40.800 -0.364 0.000 1.067 44 D HN 0.664 nan 8.370 nan 0.000 0.484 45 T N 0.939 115.172 114.554 -0.536 0.000 3.107 45 T HA 0.154 4.505 4.350 0.002 0.000 0.249 45 T C 0.959 175.427 174.700 -0.386 0.000 1.096 45 T CA -0.231 61.605 62.100 -0.440 0.000 1.012 45 T CB 0.156 68.823 68.868 -0.335 0.000 0.977 45 T HN 0.205 nan 8.240 nan 0.000 0.527 46 R N 1.954 122.279 120.500 -0.292 0.000 2.679 46 R HA 0.360 4.701 4.340 0.002 0.000 0.269 46 R C -2.605 173.583 176.300 -0.186 0.000 1.076 46 R CA -1.948 54.068 56.100 -0.142 0.000 1.160 46 R CB -0.366 29.955 30.300 0.035 0.000 1.054 46 R HN 0.164 nan 8.270 nan 0.000 0.507 47 P HA -0.118 nan 4.420 nan 0.000 0.266 47 P C 0.408 177.670 177.300 -0.065 0.000 1.193 47 P CA 0.408 63.448 63.100 -0.099 0.000 0.770 47 P CB 0.602 32.300 31.700 -0.004 0.000 0.836 48 S N 2.214 117.903 115.700 -0.018 0.000 2.419 48 S HA -0.209 4.263 4.470 0.002 0.000 0.233 48 S C 1.915 176.541 174.600 0.044 0.000 1.016 48 S CA 1.048 59.303 58.200 0.092 0.000 0.974 48 S CB -1.313 62.017 63.200 0.217 0.000 0.786 48 S HN 0.480 nan 8.310 nan 0.000 0.492 49 A N 1.257 123.942 122.820 -0.226 0.000 1.948 49 A HA 0.005 4.327 4.320 0.002 0.000 0.220 49 A C 1.842 179.229 177.584 -0.327 0.000 1.177 49 A CA 1.725 53.528 52.037 -0.391 0.000 0.636 49 A CB -0.982 17.292 19.000 -1.211 0.000 0.815 49 A HN 0.602 nan 8.150 nan 0.000 0.449 50 F N -2.647 117.296 119.950 -0.012 0.000 2.270 50 F HA 0.058 4.586 4.527 0.002 0.000 0.295 50 F C 2.111 177.953 175.800 0.070 0.000 1.087 50 F CA 0.469 58.474 58.000 0.008 0.000 1.365 50 F CB -1.154 37.824 39.000 -0.037 0.000 1.056 50 F HN 0.347 nan 8.300 nan 0.000 0.506 51 Y N 1.914 122.301 120.300 0.145 0.000 2.114 51 Y HA -0.315 4.237 4.550 0.002 0.000 0.282 51 Y C 2.129 178.163 175.900 0.224 0.000 1.165 51 Y CA 1.953 60.143 58.100 0.151 0.000 1.148 51 Y CB -0.681 37.788 38.460 0.016 0.000 0.972 51 Y HN -0.040 nan 8.280 nan 0.000 0.504 52 N N -0.371 118.449 118.700 0.200 0.000 2.381 52 N HA -0.010 4.731 4.740 0.002 0.000 0.182 52 N C 1.542 176.995 175.510 -0.094 0.000 1.025 52 N CA 1.563 54.675 53.050 0.103 0.000 0.888 52 N CB -0.041 38.558 38.487 0.187 0.000 0.965 52 N HN 0.639 nan 8.380 nan 0.000 0.438 53 G N -1.496 107.139 108.800 -0.275 0.000 2.738 53 G HA2 -0.157 3.804 3.960 0.002 0.000 0.195 53 G HA3 -0.157 3.804 3.960 0.002 0.000 0.195 53 G C -0.620 173.557 174.900 -1.205 0.000 1.001 53 G CA -0.679 43.959 45.100 -0.770 0.000 0.759 53 G HN 0.178 nan 8.290 nan 0.000 0.494 54 W N 3.489 124.342 121.300 -0.746 0.000 2.347 54 W HA 0.424 5.085 4.660 0.002 0.000 0.333 54 W C -1.589 174.917 176.519 -0.021 0.000 1.383 54 W CA -0.972 56.168 57.345 -0.342 0.000 1.283 54 W CB 0.446 29.826 29.460 -0.133 0.000 1.253 54 W HN 0.027 nan 8.180 nan 0.000 0.563 55 P HA 0.065 nan 4.420 nan 0.000 0.281 55 P C -0.352 177.142 177.300 0.324 0.000 1.249 55 P CA -0.068 63.167 63.100 0.225 0.000 0.810 55 P CB 1.179 32.975 31.700 0.160 0.000 1.008 56 Q N -0.309 119.547 119.800 0.094 0.000 2.435 56 Q HA 0.068 4.410 4.340 0.002 0.000 0.207 56 Q C -0.014 176.008 176.000 0.037 0.000 0.956 56 Q CA 0.970 56.728 55.803 -0.075 0.000 0.917 56 Q CB 0.074 28.609 28.738 -0.338 0.000 0.997 56 Q HN 0.497 nan 8.270 nan 0.000 0.497 57 T N 0.176 114.780 114.554 0.083 0.000 2.916 57 T HA 0.296 4.647 4.350 0.002 0.000 0.305 57 T C -0.969 173.807 174.700 0.126 0.000 1.119 57 T CA -0.837 61.314 62.100 0.085 0.000 1.008 57 T CB 1.891 70.782 68.868 0.038 0.000 1.129 57 T HN 0.012 nan 8.240 nan 0.000 0.480 58 L N 3.243 124.545 121.223 0.132 0.000 2.615 58 L HA 0.095 4.437 4.340 0.002 0.000 0.284 58 L C 0.703 177.637 176.870 0.106 0.000 1.237 58 L CA 1.277 56.203 54.840 0.142 0.000 0.905 58 L CB -0.717 41.412 42.059 0.116 0.000 1.149 58 L HN 0.885 nan 8.230 nan 0.000 0.499 59 N N 0.828 119.596 118.700 0.114 0.000 2.815 59 N HA -0.195 4.546 4.740 0.002 0.000 0.247 59 N C 0.516 176.059 175.510 0.054 0.000 1.030 59 N CA 1.034 54.132 53.050 0.079 0.000 0.881 59 N CB -1.381 37.143 38.487 0.061 0.000 1.134 59 N HN 0.895 nan 8.380 nan 0.000 0.582 60 G N 0.469 109.303 108.800 0.056 0.000 2.611 60 G HA2 0.429 4.391 3.960 0.002 0.000 0.273 60 G HA3 0.429 4.391 3.960 0.002 0.000 0.273 60 G C -2.071 172.834 174.900 0.009 0.000 1.305 60 G CA -0.643 44.473 45.100 0.027 0.000 1.010 60 G HN 0.018 nan 8.290 nan 0.000 0.509 61 P HA 0.136 nan 4.420 nan 0.000 0.266 61 P C -0.503 176.765 177.300 -0.053 0.000 1.195 61 P CA 0.166 63.243 63.100 -0.038 0.000 0.768 61 P CB 1.213 32.885 31.700 -0.048 0.000 0.838 62 S N 1.732 117.374 115.700 -0.097 0.000 2.669 62 S HA 0.650 5.121 4.470 0.002 0.000 0.315 62 S C 0.036 174.502 174.600 -0.223 0.000 1.106 62 S CA 0.441 58.529 58.200 -0.187 0.000 1.107 62 S CB -0.462 62.611 63.200 -0.211 0.000 0.990 62 S HN 0.957 nan 8.310 nan 0.000 0.471 63 G N 3.964 112.641 108.800 -0.205 0.000 2.396 63 G HA2 0.086 4.048 3.960 0.002 0.000 0.254 63 G HA3 0.086 4.048 3.960 0.002 0.000 0.254 63 G C -1.038 173.779 174.900 -0.137 0.000 1.248 63 G CA -0.084 44.866 45.100 -0.250 0.000 1.033 63 G HN 1.404 nan 8.290 nan 0.000 0.502 64 H N -0.746 118.227 119.070 -0.161 0.000 2.834 64 H HA 0.828 5.386 4.556 0.002 0.000 0.369 64 H C -0.275 175.042 175.328 -0.019 0.000 1.174 64 H CA -0.807 55.222 56.048 -0.032 0.000 1.165 64 H CB 1.184 30.854 29.762 -0.153 0.000 1.820 64 H HN 0.502 nan 8.280 nan 0.000 0.558 65 E N 0.824 121.143 120.200 0.199 0.000 2.404 65 E HA 0.034 4.386 4.350 0.002 0.000 0.261 65 E C -0.089 176.612 176.600 0.168 0.000 1.074 65 E CA -0.675 55.770 56.400 0.075 0.000 0.917 65 E CB 1.145 30.854 29.700 0.015 0.000 0.965 65 E HN 0.540 nan 8.360 nan 0.000 0.433 66 L N 1.977 123.242 121.223 0.069 0.000 2.667 66 L HA -0.030 4.311 4.340 0.002 0.000 0.278 66 L C 0.849 177.805 176.870 0.143 0.000 1.217 66 L CA 1.484 56.373 54.840 0.082 0.000 0.935 66 L CB -0.519 41.560 42.059 0.033 0.000 1.193 66 L HN 0.722 nan 8.230 nan 0.000 0.493 67 A N 2.937 125.869 122.820 0.187 0.000 3.153 67 A HA -0.149 4.172 4.320 0.002 0.000 0.265 67 A C 0.936 178.622 177.584 0.169 0.000 1.212 67 A CA 0.886 53.017 52.037 0.157 0.000 1.018 67 A CB -2.513 16.544 19.000 0.095 0.000 1.130 67 A HN 2.013 nan 8.150 nan 0.000 0.873 68 A N -0.330 122.638 122.820 0.247 0.000 2.483 68 A HA 0.508 4.830 4.320 0.002 0.000 0.238 68 A C 0.576 178.268 177.584 0.179 0.000 1.070 68 A CA 0.564 52.748 52.037 0.246 0.000 0.770 68 A CB 0.032 19.274 19.000 0.405 0.000 1.008 68 A HN 1.084 nan 8.150 nan 0.000 0.497 69 L N 1.297 122.566 121.223 0.077 0.000 2.421 69 L HA 0.310 4.651 4.340 0.002 0.000 0.263 69 L C 0.386 177.145 176.870 -0.186 0.000 1.122 69 L CA -0.709 54.105 54.840 -0.043 0.000 0.804 69 L CB 0.615 42.644 42.059 -0.049 0.000 1.150 69 L HN 0.775 nan 8.230 nan 0.000 0.457 70 N N 2.193 120.631 118.700 -0.437 0.000 2.446 70 N HA 0.442 5.184 4.740 0.002 0.000 0.265 70 N C -1.505 173.749 175.510 -0.426 0.000 0.975 70 N CA -0.368 52.264 53.050 -0.697 0.000 0.928 70 N CB 1.286 38.946 38.487 -1.379 0.000 1.160 70 N HN 0.384 nan 8.380 nan 0.000 0.495 71 L N 3.029 123.848 121.223 -0.672 0.000 2.492 71 L HA 0.444 4.785 4.340 0.002 0.000 0.258 71 L C -0.588 175.652 176.870 -1.050 0.000 1.028 71 L CA -0.300 53.989 54.840 -0.918 0.000 0.900 71 L CB 1.021 42.552 42.059 -0.881 0.000 1.191 71 L HN 0.488 nan 8.230 nan 0.000 0.459 72 S N 2.797 117.434 115.700 -1.773 0.000 2.505 72 S HA 0.491 4.963 4.470 0.002 0.000 0.276 72 S C 1.666 175.749 174.600 -0.863 0.000 1.274 72 S CA 0.186 57.584 58.200 -1.337 0.000 1.053 72 S CB 1.202 63.357 63.200 -1.741 0.000 0.919 72 S HN 0.861 nan 8.310 nan 0.000 0.490 73 A N 4.453 126.964 122.820 -0.516 0.000 1.971 73 A HA -0.147 4.174 4.320 0.002 0.000 0.222 73 A C 2.355 179.794 177.584 -0.242 0.000 1.182 73 A CA 2.469 54.317 52.037 -0.315 0.000 0.649 73 A CB -1.405 17.458 19.000 -0.228 0.000 0.818 73 A HN 1.366 nan 8.150 nan 0.000 0.458 74 S N -2.176 113.368 115.700 -0.260 0.000 2.507 74 S HA -0.109 4.362 4.470 0.002 0.000 0.235 74 S C 1.350 175.975 174.600 0.042 0.000 0.988 74 S CA 0.775 58.910 58.200 -0.109 0.000 0.944 74 S CB -0.524 62.627 63.200 -0.082 0.000 0.762 74 S HN 0.696 nan 8.310 nan 0.000 0.526 75 W N 1.417 122.626 121.300 -0.152 0.000 2.863 75 W HA 0.435 5.097 4.660 0.002 0.000 0.258 75 W C 1.716 178.143 176.519 -0.153 0.000 1.298 75 W CA -1.017 56.233 57.345 -0.158 0.000 1.451 75 W CB -1.029 28.304 29.460 -0.212 0.000 1.107 75 W HN 0.335 nan 8.180 nan 0.000 0.641 76 L N 0.989 122.236 121.223 0.041 0.000 2.083 76 L HA -0.222 4.119 4.340 0.002 0.000 0.209 76 L C 2.307 179.167 176.870 -0.018 0.000 1.083 76 L CA 1.876 56.700 54.840 -0.026 0.000 0.752 76 L CB -0.929 41.079 42.059 -0.084 0.000 0.899 76 L HN -0.044 nan 8.230 nan 0.000 0.433 77 D N 0.045 120.439 120.400 -0.011 0.000 2.350 77 D HA -0.193 4.448 4.640 0.002 0.000 0.216 77 D C 1.426 177.722 176.300 -0.007 0.000 0.968 77 D CA 1.042 55.035 54.000 -0.013 0.000 0.894 77 D CB -0.118 40.673 40.800 -0.015 0.000 0.909 77 D HN 0.270 nan 8.370 nan 0.000 0.520 78 K N -0.859 119.542 120.400 0.002 0.000 2.373 78 K HA 0.289 4.611 4.320 0.002 0.000 0.202 78 K C 0.118 176.705 176.600 -0.021 0.000 1.025 78 K CA -0.180 56.101 56.287 -0.010 0.000 1.115 78 K CB 0.572 33.063 32.500 -0.015 0.000 0.858 78 K HN 0.117 nan 8.250 nan 0.000 0.525 79 M N 1.486 121.076 119.600 -0.018 0.000 2.125 79 M HA 0.164 4.646 4.480 0.002 0.000 0.321 79 M C -0.052 176.235 176.300 -0.021 0.000 0.983 79 M CA -0.640 54.645 55.300 -0.026 0.000 0.934 79 M CB 1.860 34.438 32.600 -0.036 0.000 1.542 79 M HN -0.026 nan 8.290 nan 0.000 0.424 80 S N 1.383 117.074 115.700 -0.015 0.000 2.617 80 S HA 0.235 4.707 4.470 0.002 0.000 0.259 80 S C 1.073 175.669 174.600 -0.007 0.000 1.301 80 S CA -0.370 57.823 58.200 -0.012 0.000 0.984 80 S CB 0.700 63.894 63.200 -0.010 0.000 0.954 80 S HN 0.717 nan 8.310 nan 0.000 0.572 81 T N 1.105 115.655 114.554 -0.007 0.000 2.653 81 T HA -0.180 4.172 4.350 0.002 0.000 0.268 81 T C 1.631 176.336 174.700 0.009 0.000 1.035 81 T CA 2.147 64.246 62.100 -0.001 0.000 1.154 81 T CB -0.610 68.255 68.868 -0.005 0.000 0.862 81 T HN 0.739 nan 8.240 nan 0.000 0.441 82 E N 0.681 120.885 120.200 0.007 0.000 2.051 82 E HA -0.156 4.195 4.350 0.002 0.000 0.192 82 E C 2.588 179.204 176.600 0.027 0.000 0.991 82 E CA 1.056 57.463 56.400 0.012 0.000 0.799 82 E CB -0.109 29.593 29.700 0.004 0.000 0.748 82 E HN 0.586 nan 8.360 nan 0.000 0.449 83 Q N 0.272 120.086 119.800 0.024 0.000 2.084 83 Q HA -0.191 4.151 4.340 0.002 0.000 0.202 83 Q C 2.285 178.341 176.000 0.094 0.000 0.978 83 Q CA 1.056 56.885 55.803 0.043 0.000 0.844 83 Q CB -0.155 28.591 28.738 0.014 0.000 0.898 83 Q HN 0.177 nan 8.270 nan 0.000 0.426 84 L N 1.350 122.612 121.223 0.065 0.000 2.017 84 L HA -0.177 4.164 4.340 0.002 0.000 0.208 84 L C 1.610 178.578 176.870 0.163 0.000 1.073 84 L CA 1.746 56.641 54.840 0.093 0.000 0.745 84 L CB -0.601 41.469 42.059 0.019 0.000 0.894 84 L HN 0.155 nan 8.230 nan 0.000 0.432 85 N N 0.174 118.934 118.700 0.099 0.000 2.149 85 N HA -0.164 4.577 4.740 0.002 0.000 0.188 85 N C 1.794 177.363 175.510 0.099 0.000 1.019 85 N CA 1.616 54.719 53.050 0.089 0.000 0.857 85 N CB -0.469 38.044 38.487 0.043 0.000 0.997 85 N HN 0.546 nan 8.380 nan 0.000 0.426 86 A N -0.345 122.533 122.820 0.097 0.000 1.929 86 A HA -0.107 4.215 4.320 0.002 0.000 0.216 86 A C 2.186 179.828 177.584 0.097 0.000 1.176 86 A CA 0.914 52.988 52.037 0.062 0.000 0.628 86 A CB -1.044 17.979 19.000 0.038 0.000 0.816 86 A HN 0.500 nan 8.150 nan 0.000 0.444 87 W N 0.689 121.998 121.300 0.016 0.000 2.358 87 W HA -0.155 4.506 4.660 0.002 0.000 0.303 87 W C 1.742 178.360 176.519 0.165 0.000 1.208 87 W CA 1.925 59.330 57.345 0.100 0.000 1.274 87 W CB -0.141 29.378 29.460 0.100 0.000 1.138 87 W HN 0.290 nan 8.180 nan 0.000 0.515 88 I N 0.681 121.495 120.570 0.407 0.000 2.226 88 I HA -0.340 3.831 4.170 0.002 0.000 0.245 88 I C 2.586 178.706 176.117 0.005 0.000 1.100 88 I CA 1.828 63.267 61.300 0.233 0.000 1.374 88 I CB -0.675 37.459 38.000 0.223 0.000 1.057 88 I HN -0.021 nan 8.210 nan 0.000 0.413 89 K N 0.669 121.062 120.400 -0.012 0.000 2.103 89 K HA -0.244 4.077 4.320 0.002 0.000 0.204 89 K C 2.205 178.707 176.600 -0.164 0.000 1.052 89 K CA 1.316 57.562 56.287 -0.068 0.000 0.945 89 K CB -0.001 32.472 32.500 -0.044 0.000 0.722 89 K HN 0.085 nan 8.250 nan 0.000 0.443 90 Q N 0.203 119.848 119.800 -0.257 0.000 2.234 90 Q HA -0.164 4.178 4.340 0.002 0.000 0.206 90 Q C 0.896 176.505 176.000 -0.651 0.000 0.980 90 Q CA 1.646 57.177 55.803 -0.454 0.000 0.869 90 Q CB 0.012 28.415 28.738 -0.558 0.000 0.912 90 Q HN 0.474 nan 8.270 nan 0.000 0.436 91 H N -1.136 117.661 119.070 -0.456 0.000 2.549 91 H HA 0.179 4.737 4.556 0.002 0.000 0.279 91 H C 0.051 175.215 175.328 -0.274 0.000 1.018 91 H CA 0.417 56.192 56.048 -0.455 0.000 1.175 91 H CB 0.086 29.376 29.762 -0.787 0.000 1.485 91 H HN 0.319 nan 8.280 nan 0.000 0.543 92 N N 1.128 119.746 118.700 -0.136 0.000 2.727 92 N HA -0.195 4.546 4.740 0.002 0.000 0.251 92 N C -1.092 174.394 175.510 -0.041 0.000 1.040 92 N CA 0.057 53.059 53.050 -0.080 0.000 0.712 92 N CB -1.807 36.633 38.487 -0.078 0.000 0.912 92 N HN 0.320 nan 8.380 nan 0.000 0.545 93 L N 0.965 122.171 121.223 -0.027 0.000 2.363 93 L HA 0.186 4.527 4.340 0.002 0.000 0.286 93 L C 0.823 177.702 176.870 0.016 0.000 1.106 93 L CA -0.486 54.360 54.840 0.009 0.000 0.859 93 L CB 0.439 42.525 42.059 0.045 0.000 1.223 93 L HN 0.074 nan 8.230 nan 0.000 0.446 94 K N 2.161 122.570 120.400 0.015 0.000 2.412 94 K HA 0.042 4.363 4.320 0.002 0.000 0.281 94 K C 1.310 177.928 176.600 0.030 0.000 1.027 94 K CA -0.045 56.253 56.287 0.018 0.000 0.989 94 K CB 0.944 33.455 32.500 0.018 0.000 0.935 94 K HN 0.523 nan 8.250 nan 0.000 0.475 95 T N 1.883 116.451 114.554 0.024 0.000 2.684 95 T HA -0.199 4.152 4.350 0.002 0.000 0.267 95 T C 0.891 175.614 174.700 0.038 0.000 1.032 95 T CA 1.866 63.978 62.100 0.021 0.000 1.155 95 T CB 0.002 68.873 68.868 0.006 0.000 0.857 95 T HN 0.537 nan 8.240 nan 0.000 0.457 96 D N 0.124 120.567 120.400 0.073 0.000 2.423 96 D HA 0.307 4.949 4.640 0.002 0.000 0.212 96 D C 0.896 177.321 176.300 0.208 0.000 1.060 96 D CA 0.096 54.200 54.000 0.175 0.000 0.872 96 D CB 0.024 40.927 40.800 0.171 0.000 1.012 96 D HN 0.386 nan 8.370 nan 0.000 0.503 97 A N 3.079 125.958 122.820 0.098 0.000 2.531 97 A HA 0.224 4.545 4.320 0.002 0.000 0.236 97 A C -2.117 175.509 177.584 0.070 0.000 1.062 97 A CA -0.598 51.473 52.037 0.057 0.000 0.760 97 A CB -0.253 18.767 19.000 0.033 0.000 0.995 97 A HN -0.053 nan 8.150 nan 0.000 0.501 98 P HA 0.249 nan 4.420 nan 0.000 0.268 98 P C -0.825 176.510 177.300 0.059 0.000 1.204 98 P CA 0.108 63.238 63.100 0.050 0.000 0.768 98 P CB 0.756 32.459 31.700 0.005 0.000 0.842 99 V N 2.971 122.929 119.914 0.073 0.000 2.487 99 V HA 0.630 4.752 4.120 0.002 0.000 0.298 99 V C 0.175 176.308 176.094 0.064 0.000 1.028 99 V CA -0.716 61.624 62.300 0.067 0.000 0.860 99 V CB 1.593 33.456 31.823 0.066 0.000 0.991 99 V HN 0.747 nan 8.190 nan 0.000 0.427 100 A N 6.175 129.037 122.820 0.071 0.000 2.330 100 A HA 0.894 5.215 4.320 0.002 0.000 0.313 100 A C -0.856 176.789 177.584 0.101 0.000 1.124 100 A CA -0.515 51.570 52.037 0.080 0.000 0.774 100 A CB 0.882 19.932 19.000 0.084 0.000 1.198 100 A HN 0.783 nan 8.150 nan 0.000 0.465 101 L N 2.191 123.458 121.223 0.075 0.000 2.352 101 L HA 0.785 5.126 4.340 0.002 0.000 0.269 101 L C -0.282 176.673 176.870 0.141 0.000 1.034 101 L CA -0.884 53.977 54.840 0.036 0.000 0.806 101 L CB 1.271 43.313 42.059 -0.028 0.000 1.244 101 L HN 0.877 nan 8.230 nan 0.000 0.447 102 Y N -0.602 119.680 120.300 -0.030 0.000 2.670 102 Y HA 0.899 5.451 4.550 0.002 0.000 0.334 102 Y C -0.202 175.668 175.900 -0.051 0.000 1.185 102 Y CA -0.467 57.613 58.100 -0.033 0.000 1.053 102 Y CB 1.522 39.972 38.460 -0.016 0.000 1.298 102 Y HN 0.821 nan 8.280 nan 0.000 0.459 103 G N 1.449 110.342 108.800 0.155 0.000 2.293 103 G HA2 0.165 4.126 3.960 0.002 0.000 0.282 103 G HA3 0.165 4.126 3.960 0.002 0.000 0.282 103 G C -1.770 173.122 174.900 -0.013 0.000 1.299 103 G CA -0.711 44.398 45.100 0.015 0.000 1.018 103 G HN 1.386 nan 8.290 nan 0.000 0.478 104 N N 0.327 118.989 118.700 -0.064 0.000 2.467 104 N HA 0.340 5.082 4.740 0.002 0.000 0.262 104 N C 0.598 176.072 175.510 -0.060 0.000 1.234 104 N CA 0.555 53.566 53.050 -0.064 0.000 0.952 104 N CB 0.734 39.170 38.487 -0.083 0.000 1.158 104 N HN 0.386 nan 8.380 nan 0.000 0.463 105 D N 0.084 120.454 120.400 -0.049 0.000 2.123 105 D HA -0.194 4.447 4.640 0.002 0.000 0.196 105 D C 1.422 177.689 176.300 -0.055 0.000 0.992 105 D CA 1.405 55.378 54.000 -0.044 0.000 0.833 105 D CB -0.105 40.674 40.800 -0.036 0.000 0.954 105 D HN 0.770 nan 8.370 nan 0.000 0.455 106 K N 0.631 120.995 120.400 -0.060 0.000 2.002 106 K HA -0.170 4.151 4.320 0.002 0.000 0.209 106 K C 1.392 177.942 176.600 -0.083 0.000 1.048 106 K CA 1.569 57.816 56.287 -0.065 0.000 0.930 106 K CB 0.077 32.539 32.500 -0.063 0.000 0.714 106 K HN -0.096 nan 8.250 nan 0.000 0.438 107 D N 0.455 120.793 120.400 -0.102 0.000 2.104 107 D HA -0.151 4.490 4.640 0.002 0.000 0.194 107 D C 2.003 178.219 176.300 -0.140 0.000 0.994 107 D CA 1.085 55.004 54.000 -0.136 0.000 0.830 107 D CB -0.329 40.374 40.800 -0.161 0.000 0.959 107 D HN 0.051 nan 8.370 nan 0.000 0.452 108 V N 0.829 120.674 119.914 -0.114 0.000 2.343 108 V HA -0.249 3.873 4.120 0.002 0.000 0.247 108 V C 2.069 178.112 176.094 -0.086 0.000 1.051 108 V CA 1.951 64.190 62.300 -0.101 0.000 1.036 108 V CB -0.433 31.353 31.823 -0.062 0.000 0.654 108 V HN 0.110 nan 8.190 nan 0.000 0.451 109 D N -0.176 120.180 120.400 -0.072 0.000 2.117 109 D HA -0.117 4.524 4.640 0.002 0.000 0.198 109 D C 2.147 178.404 176.300 -0.072 0.000 0.982 109 D CA 1.377 55.341 54.000 -0.061 0.000 0.828 109 D CB -0.162 40.609 40.800 -0.049 0.000 0.967 109 D HN 0.366 nan 8.370 nan 0.000 0.464 110 A N -0.156 122.612 122.820 -0.086 0.000 1.883 110 A HA -0.153 4.168 4.320 0.002 0.000 0.217 110 A C 2.474 179.993 177.584 -0.110 0.000 1.186 110 A CA 1.698 53.679 52.037 -0.093 0.000 0.624 110 A CB -0.930 18.008 19.000 -0.104 0.000 0.822 110 A HN 0.223 nan 8.150 nan 0.000 0.444 111 V N 0.120 119.951 119.914 -0.138 0.000 2.358 111 V HA -0.252 3.869 4.120 0.002 0.000 0.246 111 V C 2.533 178.559 176.094 -0.115 0.000 1.047 111 V CA 2.355 64.559 62.300 -0.160 0.000 1.035 111 V CB -0.645 31.051 31.823 -0.211 0.000 0.658 111 V HN 0.710 nan 8.190 nan 0.000 0.452 112 K N -0.142 120.204 120.400 -0.090 0.000 2.032 112 K HA -0.223 4.098 4.320 0.002 0.000 0.209 112 K C 2.189 178.756 176.600 -0.056 0.000 1.048 112 K CA 2.190 58.440 56.287 -0.062 0.000 0.927 112 K CB -0.389 32.082 32.500 -0.049 0.000 0.712 112 K HN 0.478 nan 8.250 nan 0.000 0.441 113 T N 1.126 115.645 114.554 -0.058 0.000 2.684 113 T HA -0.108 4.243 4.350 0.002 0.000 0.267 113 T C 1.857 176.524 174.700 -0.054 0.000 1.036 113 T CA 1.142 63.212 62.100 -0.051 0.000 1.148 113 T CB -0.123 68.716 68.868 -0.049 0.000 0.863 113 T HN 0.236 nan 8.240 nan 0.000 0.436 114 R N 0.521 120.982 120.500 -0.066 0.000 2.081 114 R HA 0.046 4.387 4.340 0.002 0.000 0.235 114 R C 2.315 178.584 176.300 -0.052 0.000 1.131 114 R CA 0.833 56.895 56.100 -0.064 0.000 0.960 114 R CB -1.055 29.195 30.300 -0.083 0.000 0.856 114 R HN 0.306 nan 8.270 nan 0.000 0.436 115 L N 1.587 122.777 121.223 -0.054 0.000 2.046 115 L HA -0.153 4.188 4.340 0.002 0.000 0.208 115 L C 2.409 179.264 176.870 -0.026 0.000 1.077 115 L CA 1.641 56.465 54.840 -0.028 0.000 0.747 115 L CB -0.973 41.072 42.059 -0.023 0.000 0.896 115 L HN 0.200 nan 8.230 nan 0.000 0.432 116 Q N -0.710 119.068 119.800 -0.038 0.000 2.084 116 Q HA -0.256 4.086 4.340 0.002 0.000 0.202 116 Q C 2.169 178.141 176.000 -0.047 0.000 0.978 116 Q CA 1.709 57.485 55.803 -0.045 0.000 0.844 116 Q CB -0.201 28.508 28.738 -0.049 0.000 0.898 116 Q HN 0.453 nan 8.270 nan 0.000 0.426 117 K N 0.533 120.907 120.400 -0.044 0.000 2.211 117 K HA -0.048 4.274 4.320 0.002 0.000 0.203 117 K C 1.719 178.299 176.600 -0.034 0.000 1.050 117 K CA 1.015 57.276 56.287 -0.043 0.000 0.945 117 K CB -0.036 32.439 32.500 -0.040 0.000 0.732 117 K HN 0.139 nan 8.250 nan 0.000 0.451 118 A N 0.299 123.104 122.820 -0.024 0.000 2.206 118 A HA 0.180 4.502 4.320 0.002 0.000 0.211 118 A C 1.432 179.008 177.584 -0.014 0.000 1.158 118 A CA 0.874 52.905 52.037 -0.010 0.000 0.761 118 A CB -0.424 18.582 19.000 0.011 0.000 0.801 118 A HN 0.609 nan 8.150 nan 0.000 0.473 119 G N -2.127 106.655 108.800 -0.029 0.000 2.179 119 G HA2 -0.145 3.816 3.960 0.002 0.000 0.220 119 G HA3 -0.145 3.816 3.960 0.002 0.000 0.220 119 G C -0.117 174.761 174.900 -0.037 0.000 0.990 119 G CA 0.001 45.078 45.100 -0.038 0.000 0.646 119 G HN 0.307 nan 8.290 nan 0.000 0.517 120 L N 1.517 122.726 121.223 -0.023 0.000 2.456 120 L HA 0.502 4.843 4.340 0.002 0.000 0.272 120 L C 1.932 178.765 176.870 -0.062 0.000 1.189 120 L CA 1.708 56.535 54.840 -0.021 0.000 0.846 120 L CB 1.224 43.288 42.059 0.009 0.000 1.111 120 L HN 0.435 nan 8.230 nan 0.000 0.475 121 T N -2.633 111.859 114.554 -0.102 0.000 2.955 121 T HA 0.145 4.496 4.350 0.002 0.000 0.251 121 T C 0.621 175.140 174.700 -0.303 0.000 1.002 121 T CA 0.155 62.119 62.100 -0.227 0.000 0.970 121 T CB 0.017 68.684 68.868 -0.335 0.000 1.091 121 T HN 0.399 nan 8.240 nan 0.000 0.495 122 H N 1.263 120.334 119.070 0.000 0.000 2.572 122 H HA 0.510 5.068 4.556 0.002 0.000 0.248 122 H C -0.817 174.515 175.328 0.006 0.000 1.397 122 H CA -0.721 55.328 56.048 0.003 0.000 1.319 122 H CB 0.031 29.796 29.762 0.005 0.000 1.452 122 H HN 0.401 nan 8.280 nan 0.000 0.535 123 I N 1.848 122.464 120.570 0.078 0.000 2.355 123 I HA 0.205 4.376 4.170 0.002 0.000 0.288 123 I C 0.229 176.373 176.117 0.045 0.000 0.999 123 I CA -0.194 61.136 61.300 0.049 0.000 1.163 123 I CB 1.362 39.371 38.000 0.015 0.000 1.316 123 I HN 0.195 nan 8.210 nan 0.000 0.454 124 S N 5.755 121.484 115.700 0.048 0.000 2.726 124 S HA 0.626 5.098 4.470 0.002 0.000 0.308 124 S C -0.355 174.268 174.600 0.038 0.000 1.115 124 S CA -0.632 57.593 58.200 0.041 0.000 0.965 124 S CB 1.961 65.187 63.200 0.044 0.000 1.145 124 S HN 0.261 nan 8.310 nan 0.000 0.532 125 I N 1.974 122.565 120.570 0.035 0.000 2.440 125 I HA 0.315 4.486 4.170 0.002 0.000 0.294 125 I C -0.208 175.940 176.117 0.052 0.000 0.995 125 I CA -0.823 60.503 61.300 0.044 0.000 1.306 125 I CB 0.788 38.806 38.000 0.030 0.000 1.407 125 I HN 0.447 nan 8.210 nan 0.000 0.501 126 L N 6.316 127.588 121.223 0.082 0.000 2.363 126 L HA 0.149 4.490 4.340 0.002 0.000 0.286 126 L C 1.442 178.317 176.870 0.008 0.000 1.106 126 L CA 0.434 55.307 54.840 0.054 0.000 0.859 126 L CB 0.393 42.507 42.059 0.092 0.000 1.223 126 L HN 0.752 nan 8.230 nan 0.000 0.446 127 S N 1.420 117.117 115.700 -0.005 0.000 2.423 127 S HA -0.092 4.379 4.470 0.002 0.000 0.231 127 S C 0.906 175.483 174.600 -0.038 0.000 1.014 127 S CA 0.779 58.970 58.200 -0.015 0.000 0.965 127 S CB -0.320 62.873 63.200 -0.012 0.000 0.785 127 S HN 0.764 nan 8.310 nan 0.000 0.495 128 D N 1.504 121.870 120.400 -0.058 0.000 2.525 128 D HA 0.421 5.062 4.640 0.002 0.000 0.229 128 D C 0.267 176.486 176.300 -0.135 0.000 1.202 128 D CA -0.291 53.663 54.000 -0.078 0.000 0.828 128 D CB -0.211 40.551 40.800 -0.063 0.000 1.008 128 D HN 0.437 nan 8.370 nan 0.000 0.493 129 A N 0.900 123.606 122.820 -0.190 0.000 2.546 129 A HA 0.299 4.621 4.320 0.002 0.000 0.243 129 A C 1.412 178.811 177.584 -0.308 0.000 1.063 129 A CA -0.074 51.726 52.037 -0.395 0.000 0.757 129 A CB -0.283 18.306 19.000 -0.684 0.000 0.991 129 A HN 0.532 nan 8.150 nan 0.000 0.503 130 L N 1.254 122.288 121.223 -0.314 0.000 4.937 130 L HA -0.298 4.044 4.340 0.002 0.000 0.422 130 L C 1.857 178.653 176.870 -0.123 0.000 1.059 130 L CA 0.841 55.565 54.840 -0.193 0.000 1.111 130 L CB -2.518 39.452 42.059 -0.149 0.000 2.033 130 L HN 0.962 nan 8.230 nan 0.000 0.708 131 S N -0.691 114.938 115.700 -0.117 0.000 2.522 131 S HA 0.023 4.494 4.470 0.002 0.000 0.227 131 S C 0.685 175.245 174.600 -0.067 0.000 0.986 131 S CA 1.063 59.215 58.200 -0.080 0.000 0.929 131 S CB 0.210 63.366 63.200 -0.073 0.000 0.769 131 S HN 0.566 nan 8.310 nan 0.000 0.529 132 E N 0.928 121.082 120.200 -0.077 0.000 2.580 132 E HA 0.451 4.803 4.350 0.002 0.000 0.248 132 E C -2.554 174.005 176.600 -0.068 0.000 1.018 132 E CA -1.950 54.412 56.400 -0.063 0.000 0.775 132 E CB 1.437 31.101 29.700 -0.059 0.000 1.378 132 E HN -0.037 nan 8.360 nan 0.000 0.401 133 P HA -0.161 nan 4.420 nan 0.000 0.218 133 P C 1.116 178.378 177.300 -0.064 0.000 1.148 133 P CA 1.497 64.560 63.100 -0.062 0.000 0.822 133 P CB 0.251 31.924 31.700 -0.045 0.000 0.784 134 S N 0.290 115.959 115.700 -0.053 0.000 2.481 134 S HA -0.138 4.334 4.470 0.002 0.000 0.231 134 S C 1.722 176.288 174.600 -0.058 0.000 0.996 134 S CA 0.393 58.563 58.200 -0.049 0.000 0.942 134 S CB -0.833 62.345 63.200 -0.037 0.000 0.768 134 S HN 0.270 nan 8.310 nan 0.000 0.520 135 R N 0.452 120.912 120.500 -0.066 0.000 2.359 135 R HA 0.397 4.738 4.340 0.002 0.000 0.231 135 R C 0.111 176.354 176.300 -0.095 0.000 0.913 135 R CA -0.313 55.746 56.100 -0.068 0.000 1.075 135 R CB -0.392 29.873 30.300 -0.058 0.000 1.087 135 R HN 0.338 nan 8.270 nan 0.000 0.515 136 L N 1.908 123.060 121.223 -0.119 0.000 2.436 136 L HA 0.193 4.535 4.340 0.002 0.000 0.265 136 L C 0.214 176.939 176.870 -0.242 0.000 1.168 136 L CA -0.388 54.344 54.840 -0.179 0.000 0.815 136 L CB 0.986 42.941 42.059 -0.173 0.000 1.109 136 L HN 0.162 nan 8.230 nan 0.000 0.462 137 Q N 2.839 122.379 119.800 -0.435 0.000 2.377 137 Q HA 0.568 4.910 4.340 0.002 0.000 0.271 137 Q C -1.080 174.493 176.000 -0.711 0.000 1.077 137 Q CA -0.709 54.800 55.803 -0.491 0.000 0.820 137 Q CB 2.913 31.369 28.738 -0.470 0.000 1.347 137 Q HN 0.576 nan 8.270 nan 0.000 0.444 138 K N -0.168 120.013 120.400 -0.366 0.000 2.548 138 K HA 0.491 4.812 4.320 0.002 0.000 0.282 138 K C -0.911 175.665 176.600 -0.039 0.000 1.006 138 K CA -0.925 55.223 56.287 -0.232 0.000 0.892 138 K CB 0.764 33.142 32.500 -0.202 0.000 1.499 138 K HN 0.393 nan 8.250 nan 0.000 0.433 139 L N 1.873 123.129 121.223 0.054 0.000 2.462 139 L HA 0.098 4.439 4.340 0.002 0.000 0.272 139 L C -1.579 175.329 176.870 0.064 0.000 1.166 139 L CA -1.596 53.305 54.840 0.102 0.000 0.880 139 L CB 0.396 42.540 42.059 0.143 0.000 1.142 139 L HN 0.560 nan 8.230 nan 0.000 0.473 140 P HA -0.166 nan 4.420 nan 0.000 0.217 140 P C 0.381 177.369 177.300 -0.519 0.000 1.148 140 P CA 1.507 64.488 63.100 -0.198 0.000 0.828 140 P CB 0.124 31.736 31.700 -0.148 0.000 0.783 141 H N -1.940 117.092 119.070 -0.064 0.000 2.551 141 H HA 0.159 4.716 4.556 0.002 0.000 0.238 141 H C 0.948 176.088 175.328 -0.313 0.000 1.345 141 H CA -0.535 55.373 56.048 -0.234 0.000 1.105 141 H CB -0.371 29.307 29.762 -0.140 0.000 1.805 141 H HN 0.185 nan 8.280 nan 0.000 0.553 142 F N 1.822 121.660 119.950 -0.185 0.000 2.184 142 F HA -0.225 4.303 4.527 0.002 0.000 0.301 142 F C 2.130 177.668 175.800 -0.437 0.000 1.076 142 F CA 1.259 59.079 58.000 -0.300 0.000 1.295 142 F CB -0.124 38.584 39.000 -0.487 0.000 1.026 142 F HN 0.142 nan 8.300 nan 0.000 0.494 143 E N 1.546 120.973 120.200 -1.290 0.000 2.401 143 E HA -0.243 4.108 4.350 0.002 0.000 0.199 143 E C 1.496 177.963 176.600 -0.221 0.000 1.023 143 E CA 1.262 57.106 56.400 -0.926 0.000 0.859 143 E CB -0.815 28.326 29.700 -0.932 0.000 0.780 143 E HN 0.739 nan 8.360 nan 0.000 0.523 144 Q N 0.098 119.827 119.800 -0.118 0.000 2.432 144 Q HA 0.205 4.546 4.340 0.002 0.000 0.205 144 Q C 0.380 176.443 176.000 0.104 0.000 0.945 144 Q CA 0.346 56.154 55.803 0.010 0.000 0.924 144 Q CB 0.330 29.079 28.738 0.020 0.000 1.016 144 Q HN 0.239 nan 8.270 nan 0.000 0.503 145 L N 1.773 123.112 121.223 0.193 0.000 2.387 145 L HA 0.312 4.654 4.340 0.002 0.000 0.259 145 L C -0.215 176.888 176.870 0.389 0.000 1.050 145 L CA -0.863 54.140 54.840 0.272 0.000 0.922 145 L CB 0.937 43.164 42.059 0.280 0.000 1.280 145 L HN -0.074 nan 8.230 nan 0.000 0.449 146 V N 0.263 120.275 119.914 0.163 0.000 3.214 146 V HA 0.524 4.645 4.120 0.002 0.000 0.306 146 V C -0.474 175.601 176.094 -0.032 0.000 1.078 146 V CA -0.273 61.947 62.300 -0.133 0.000 1.077 146 V CB 1.193 32.765 31.823 -0.419 0.000 1.121 146 V HN 0.557 nan 8.190 nan 0.000 0.468 147 Y N -1.150 118.955 120.300 -0.325 0.000 2.605 147 Y HA 0.752 5.303 4.550 0.002 0.000 0.343 147 Y C -2.590 173.299 175.900 -0.018 0.000 1.036 147 Y CA -2.661 55.328 58.100 -0.185 0.000 1.065 147 Y CB 0.943 39.189 38.460 -0.356 0.000 1.288 147 Y HN 0.347 nan 8.280 nan 0.000 0.481 148 P HA -0.189 nan 4.420 nan 0.000 0.215 148 P C 1.351 178.602 177.300 -0.083 0.000 1.157 148 P CA 1.973 65.123 63.100 0.082 0.000 0.868 148 P CB 0.290 31.943 31.700 -0.078 0.000 0.788 149 Q N -1.376 118.339 119.800 -0.141 0.000 2.124 149 Q HA -0.179 4.163 4.340 0.002 0.000 0.202 149 Q C 1.946 177.844 176.000 -0.170 0.000 0.977 149 Q CA 1.585 57.330 55.803 -0.096 0.000 0.850 149 Q CB -1.195 27.596 28.738 0.088 0.000 0.901 149 Q HN 0.270 nan 8.270 nan 0.000 0.429 150 W N -0.367 120.448 121.300 -0.809 0.000 2.355 150 W HA -0.212 4.449 4.660 0.002 0.000 0.309 150 W C 1.627 177.906 176.519 -0.400 0.000 1.206 150 W CA 1.489 58.370 57.345 -0.773 0.000 1.284 150 W CB -0.442 28.159 29.460 -1.433 0.000 1.145 150 W HN 0.327 nan 8.180 nan 0.000 0.502 151 L N 0.488 121.697 121.223 -0.025 0.000 2.056 151 L HA -0.165 4.177 4.340 0.002 0.000 0.207 151 L C 2.529 179.380 176.870 -0.032 0.000 1.078 151 L CA 2.757 57.574 54.840 -0.039 0.000 0.749 151 L CB -1.653 40.571 42.059 0.274 0.000 0.901 151 L HN 0.246 nan 8.230 nan 0.000 0.433 152 H N -0.551 118.553 119.070 0.057 0.000 2.321 152 H HA -0.148 4.409 4.556 0.002 0.000 0.300 152 H C 1.782 177.060 175.328 -0.082 0.000 1.087 152 H CA 2.220 58.312 56.048 0.073 0.000 1.319 152 H CB -0.128 29.593 29.762 -0.069 0.000 1.379 152 H HN 0.385 nan 8.280 nan 0.000 0.501 153 D N 0.111 120.362 120.400 -0.249 0.000 2.117 153 D HA -0.140 4.502 4.640 0.002 0.000 0.197 153 D C 2.356 178.421 176.300 -0.392 0.000 0.987 153 D CA 1.026 54.828 54.000 -0.329 0.000 0.829 153 D CB -0.543 40.119 40.800 -0.230 0.000 0.961 153 D HN 0.347 nan 8.370 nan 0.000 0.460 154 L N 1.186 122.061 121.223 -0.580 0.000 2.013 154 L HA -0.237 4.104 4.340 0.002 0.000 0.212 154 L C 2.028 178.699 176.870 -0.332 0.000 1.073 154 L CA 1.849 56.295 54.840 -0.656 0.000 0.753 154 L CB -0.727 40.622 42.059 -1.183 0.000 0.890 154 L HN -0.009 nan 8.230 nan 0.000 0.432 155 Q N -0.949 118.721 119.800 -0.216 0.000 2.234 155 Q HA -0.200 4.141 4.340 0.002 0.000 0.206 155 Q C 1.646 177.655 176.000 0.016 0.000 0.980 155 Q CA 1.620 57.468 55.803 0.076 0.000 0.869 155 Q CB -0.135 28.687 28.738 0.141 0.000 0.912 155 Q HN 0.681 nan 8.270 nan 0.000 0.436 156 Q N -1.051 118.666 119.800 -0.138 0.000 2.204 156 Q HA 0.160 4.502 4.340 0.002 0.000 0.209 156 Q C 0.309 176.257 176.000 -0.087 0.000 0.861 156 Q CA 0.299 56.023 55.803 -0.131 0.000 0.971 156 Q CB 1.156 29.735 28.738 -0.264 0.000 1.095 156 Q HN 0.499 nan 8.270 nan 0.000 0.486 157 G N 1.611 110.372 108.800 -0.064 0.000 2.143 157 G HA2 -0.215 3.747 3.960 0.002 0.000 0.248 157 G HA3 -0.215 3.747 3.960 0.002 0.000 0.248 157 G C 0.052 174.916 174.900 -0.060 0.000 0.991 157 G CA -0.018 45.061 45.100 -0.035 0.000 0.689 157 G HN 0.037 nan 8.290 nan 0.000 0.522 158 K N 0.678 121.013 120.400 -0.108 0.000 2.107 158 K HA 0.412 4.733 4.320 0.002 0.000 0.251 158 K C 0.716 177.259 176.600 -0.094 0.000 1.012 158 K CA -0.443 55.787 56.287 -0.095 0.000 0.920 158 K CB 0.664 33.092 32.500 -0.119 0.000 1.033 158 K HN 0.522 nan 8.250 nan 0.000 0.478 159 E N 0.990 121.161 120.200 -0.048 0.000 2.316 159 E HA 0.218 4.569 4.350 0.002 0.000 0.275 159 E C -0.186 176.402 176.600 -0.019 0.000 1.029 159 E CA -0.508 55.880 56.400 -0.020 0.000 0.871 159 E CB 1.010 30.722 29.700 0.020 0.000 1.022 159 E HN 0.338 nan 8.360 nan 0.000 0.418 160 V N -0.231 119.680 119.914 -0.006 0.000 3.007 160 V HA 0.445 4.566 4.120 0.002 0.000 0.311 160 V C -0.014 176.258 176.094 0.297 0.000 1.120 160 V CA -1.070 61.264 62.300 0.057 0.000 0.980 160 V CB 1.869 33.477 31.823 -0.358 0.000 1.033 160 V HN 0.540 nan 8.190 nan 0.000 0.429 161 T N 2.675 117.564 114.554 0.558 0.000 2.930 161 T HA 0.488 4.839 4.350 0.002 0.000 0.306 161 T C 0.954 176.084 174.700 0.717 0.000 1.045 161 T CA 0.927 63.397 62.100 0.617 0.000 1.134 161 T CB 0.716 70.018 68.868 0.724 0.000 0.961 161 T HN 2.473 nan 8.240 nan 0.000 0.545 162 A N 2.116 125.181 122.820 0.407 0.000 2.739 162 A HA -0.191 4.130 4.320 0.002 0.000 0.296 162 A C 0.588 178.427 177.584 0.425 0.000 1.488 162 A CA 1.076 53.292 52.037 0.299 0.000 0.746 162 A CB -1.839 17.221 19.000 0.101 0.000 1.047 162 A HN 0.841 nan 8.150 nan 0.000 0.477 163 K N -0.026 120.570 120.400 0.327 0.000 2.489 163 K HA 0.288 4.609 4.320 0.002 0.000 0.278 163 K C -1.970 174.737 176.600 0.179 0.000 1.000 163 K CA -0.831 55.581 56.287 0.208 0.000 1.012 163 K CB 0.248 32.802 32.500 0.090 0.000 0.903 163 K HN 0.298 nan 8.250 nan 0.000 0.485 164 P HA -0.095 nan 4.420 nan 0.000 0.265 164 P C -0.425 176.960 177.300 0.143 0.000 1.187 164 P CA 0.177 63.370 63.100 0.155 0.000 0.766 164 P CB 0.837 32.642 31.700 0.176 0.000 0.820 165 A N 2.622 125.514 122.820 0.120 0.000 1.969 165 A HA 0.156 4.477 4.320 0.002 0.000 0.218 165 A C 1.330 178.971 177.584 0.096 0.000 1.169 165 A CA 2.072 54.164 52.037 0.091 0.000 0.635 165 A CB -0.829 18.206 19.000 0.059 0.000 0.810 165 A HN 0.642 nan 8.150 nan 0.000 0.445 166 G N -1.372 107.499 108.800 0.119 0.000 3.354 166 G HA2 0.432 4.393 3.960 0.002 0.000 0.174 166 G HA3 0.432 4.393 3.960 0.002 0.000 0.174 166 G C -1.415 173.579 174.900 0.157 0.000 1.140 166 G CA -0.067 45.093 45.100 0.100 0.000 0.897 166 G HN 0.103 nan 8.290 nan 0.000 0.685 167 D N 0.814 121.257 120.400 0.072 0.000 2.368 167 D HA 0.371 5.012 4.640 0.002 0.000 0.240 167 D C -0.124 176.265 176.300 0.147 0.000 1.169 167 D CA 0.539 54.544 54.000 0.009 0.000 0.906 167 D CB 0.698 41.458 40.800 -0.066 0.000 1.187 167 D HN 0.507 nan 8.370 nan 0.000 0.435 168 W N -0.859 120.463 121.300 0.037 0.000 3.118 168 W HA 0.629 5.291 4.660 0.002 0.000 0.328 168 W C -1.142 175.417 176.519 0.066 0.000 1.239 168 W CA -0.990 56.392 57.345 0.061 0.000 1.176 168 W CB 0.966 30.476 29.460 0.084 0.000 1.433 168 W HN 0.096 nan 8.180 nan 0.000 0.562 169 K N 1.163 121.777 120.400 0.357 0.000 2.464 169 K HA 0.533 4.854 4.320 0.002 0.000 0.253 169 K C -1.169 175.647 176.600 0.360 0.000 0.933 169 K CA -0.677 55.751 56.287 0.234 0.000 0.801 169 K CB 3.074 35.650 32.500 0.125 0.000 1.271 169 K HN 0.305 nan 8.250 nan 0.000 0.430 170 V N 4.550 124.673 119.914 0.348 0.000 2.472 170 V HA 0.555 4.676 4.120 0.002 0.000 0.290 170 V C -0.288 175.960 176.094 0.255 0.000 1.037 170 V CA -0.624 61.872 62.300 0.326 0.000 0.908 170 V CB 1.112 33.134 31.823 0.332 0.000 0.985 170 V HN 0.605 nan 8.190 nan 0.000 0.454 171 I N 3.091 123.795 120.570 0.223 0.000 2.571 171 I HA 0.396 4.567 4.170 0.002 0.000 0.289 171 I C -0.325 175.724 176.117 -0.113 0.000 1.115 171 I CA -0.476 60.865 61.300 0.069 0.000 1.045 171 I CB 2.292 40.265 38.000 -0.046 0.000 1.238 171 I HN 0.638 nan 8.210 nan 0.000 0.424 172 E N 4.593 124.640 120.200 -0.255 0.000 2.313 172 E HA 0.626 4.977 4.350 0.002 0.000 0.276 172 E C -0.807 175.414 176.600 -0.631 0.000 1.031 172 E CA -0.417 55.541 56.400 -0.736 0.000 0.857 172 E CB 1.344 30.828 29.700 -0.359 0.000 1.040 172 E HN 0.720 nan 8.360 nan 0.000 0.408 173 A N 3.094 125.566 122.820 -0.580 0.000 2.343 173 A HA 0.803 5.124 4.320 0.002 0.000 0.316 173 A C -1.128 176.236 177.584 -0.367 0.000 1.104 173 A CA -0.082 51.632 52.037 -0.540 0.000 0.768 173 A CB 1.577 20.336 19.000 -0.402 0.000 1.213 173 A HN 0.672 nan 8.150 nan 0.000 0.456 174 A N 1.706 124.314 122.820 -0.354 0.000 2.606 174 A HA 0.637 4.959 4.320 0.002 0.000 0.293 174 A C -1.006 176.650 177.584 0.121 0.000 1.082 174 A CA -0.477 51.562 52.037 0.004 0.000 0.685 174 A CB 0.683 19.774 19.000 0.152 0.000 1.284 174 A HN 1.604 nan 8.150 nan 0.000 0.408 175 W N 2.367 123.774 121.300 0.178 0.000 2.308 175 W HA 0.445 5.107 4.660 0.002 0.000 0.324 175 W C 0.393 176.993 176.519 0.135 0.000 1.387 175 W CA 2.216 59.667 57.345 0.177 0.000 1.250 175 W CB 0.034 29.582 29.460 0.146 0.000 1.257 175 W HN 2.086 nan 8.180 nan 0.000 0.554 176 G N 3.094 111.506 108.800 -0.645 0.000 2.685 176 G HA2 0.206 4.167 3.960 0.002 0.000 0.387 176 G HA3 0.206 4.167 3.960 0.002 0.000 0.387 176 G C -0.694 174.176 174.900 -0.049 0.000 1.324 176 G CA -0.329 44.525 45.100 -0.410 0.000 0.878 176 G HN 1.291 nan 8.290 nan 0.000 0.527 177 A N 0.400 123.194 122.820 -0.042 0.000 2.346 177 A HA 0.702 5.024 4.320 0.002 0.000 0.252 177 A C -1.720 175.769 177.584 -0.158 0.000 1.089 177 A CA -0.222 51.780 52.037 -0.060 0.000 0.797 177 A CB -0.316 18.638 19.000 -0.077 0.000 1.047 177 A HN 0.732 nan 8.150 nan 0.000 0.494 178 P HA 0.035 nan 4.420 nan 0.000 0.257 178 P C 0.066 177.215 177.300 -0.251 0.000 1.189 178 P CA 0.456 63.093 63.100 -0.772 0.000 0.780 178 P CB 0.373 31.564 31.700 -0.847 0.000 0.772 179 K N 2.598 122.935 120.400 -0.104 0.000 2.629 179 K HA 0.213 4.535 4.320 0.002 0.000 0.239 179 K C 1.884 178.492 176.600 0.013 0.000 1.102 179 K CA 0.420 56.701 56.287 -0.011 0.000 1.019 179 K CB -0.838 31.685 32.500 0.039 0.000 1.481 179 K HN 0.205 nan 8.250 nan 0.000 0.455 180 L N 0.940 122.178 121.223 0.025 0.000 2.127 180 L HA -0.194 4.147 4.340 0.002 0.000 0.211 180 L C 2.629 179.479 176.870 -0.035 0.000 1.089 180 L CA 1.354 56.184 54.840 -0.017 0.000 0.757 180 L CB -0.602 41.429 42.059 -0.047 0.000 0.899 180 L HN 0.273 nan 8.230 nan 0.000 0.434 181 Y N 1.015 121.247 120.300 -0.114 0.000 2.181 181 Y HA -0.309 4.243 4.550 0.002 0.000 0.284 181 Y C 2.306 178.245 175.900 0.065 0.000 1.179 181 Y CA 1.683 59.748 58.100 -0.057 0.000 1.179 181 Y CB -0.124 38.242 38.460 -0.157 0.000 0.973 181 Y HN 0.063 nan 8.280 nan 0.000 0.519 182 L N -0.704 120.605 121.223 0.144 0.000 2.093 182 L HA -0.218 4.124 4.340 0.002 0.000 0.208 182 L C 2.247 179.123 176.870 0.011 0.000 1.085 182 L CA 0.531 55.427 54.840 0.094 0.000 0.755 182 L CB -0.604 41.491 42.059 0.060 0.000 0.904 182 L HN 0.259 nan 8.230 nan 0.000 0.435 183 I N -0.400 120.162 120.570 -0.014 0.000 2.113 183 I HA -0.124 4.048 4.170 0.002 0.000 0.238 183 I C 1.132 177.203 176.117 -0.077 0.000 1.070 183 I CA 1.176 62.458 61.300 -0.029 0.000 1.332 183 I CB -1.124 36.869 38.000 -0.011 0.000 1.044 183 I HN 0.407 nan 8.210 nan 0.000 0.402 184 S N -0.086 115.520 115.700 -0.157 0.000 2.552 184 S HA 0.625 5.096 4.470 0.002 0.000 0.272 184 S C -0.878 173.464 174.600 -0.430 0.000 1.150 184 S CA -0.874 57.179 58.200 -0.246 0.000 0.849 184 S CB 2.090 65.299 63.200 0.016 0.000 1.113 184 S HN 0.563 nan 8.310 nan 0.000 0.458 185 H N -0.681 118.205 119.070 -0.306 0.000 2.990 185 H HA 0.688 5.245 4.556 0.002 0.000 0.336 185 H C -0.935 174.405 175.328 0.020 0.000 1.306 185 H CA -1.285 54.608 56.048 -0.259 0.000 1.118 185 H CB 0.263 29.701 29.762 -0.540 0.000 1.856 185 H HN 0.682 nan 8.280 nan 0.000 0.538 186 I N 2.111 122.750 120.570 0.116 0.000 2.710 186 I HA 0.076 4.247 4.170 0.002 0.000 0.286 186 I C -2.068 174.038 176.117 -0.018 0.000 1.181 186 I CA -1.456 59.629 61.300 -0.358 0.000 1.430 186 I CB 0.339 37.779 38.000 -0.934 0.000 1.367 186 I HN 0.423 nan 8.210 nan 0.000 0.577 187 P HA -0.009 nan 4.420 nan 0.000 0.264 187 P C 0.732 178.122 177.300 0.150 0.000 1.183 187 P CA 0.598 63.766 63.100 0.113 0.000 0.763 187 P CB 0.523 32.328 31.700 0.175 0.000 0.807 188 G N 1.770 110.677 108.800 0.179 0.000 2.175 188 G HA2 -0.244 3.717 3.960 0.002 0.000 0.265 188 G HA3 -0.244 3.717 3.960 0.002 0.000 0.265 188 G C 0.445 175.461 174.900 0.193 0.000 0.979 188 G CA 0.119 45.316 45.100 0.161 0.000 0.663 188 G HN 0.864 nan 8.290 nan 0.000 0.533 189 A N -0.012 122.964 122.820 0.261 0.000 2.409 189 A HA 0.556 4.877 4.320 0.002 0.000 0.262 189 A C 0.504 178.259 177.584 0.285 0.000 1.113 189 A CA 0.636 52.856 52.037 0.306 0.000 0.790 189 A CB 0.456 19.722 19.000 0.443 0.000 1.046 189 A HN 0.477 nan 8.150 nan 0.000 0.496 190 D N 0.141 120.670 120.400 0.216 0.000 2.414 190 D HA 0.380 5.022 4.640 0.002 0.000 0.251 190 D C -0.966 175.386 176.300 0.086 0.000 1.252 190 D CA 0.320 54.413 54.000 0.155 0.000 0.999 190 D CB 0.355 41.241 40.800 0.144 0.000 1.093 190 D HN 0.439 nan 8.370 nan 0.000 0.515 191 Y N 0.378 120.550 120.300 -0.213 0.000 2.421 191 Y HA 0.481 5.033 4.550 0.002 0.000 0.339 191 Y C -1.465 174.296 175.900 -0.232 0.000 0.996 191 Y CA -1.012 56.836 58.100 -0.419 0.000 1.046 191 Y CB 1.090 38.969 38.460 -0.968 0.000 1.226 191 Y HN 0.351 nan 8.280 nan 0.000 0.445 192 I N 6.448 126.506 120.570 -0.853 0.000 2.447 192 I HA 0.305 4.477 4.170 0.002 0.000 0.287 192 I C -1.187 174.452 176.117 -0.797 0.000 1.023 192 I CA -0.605 60.306 61.300 -0.648 0.000 1.083 192 I CB 0.805 38.423 38.000 -0.636 0.000 1.245 192 I HN 0.684 nan 8.210 nan 0.000 0.434 193 D N 4.877 125.032 120.400 -0.407 0.000 2.383 193 D HA 0.021 4.662 4.640 0.002 0.000 0.252 193 D C 1.375 177.537 176.300 -0.231 0.000 1.166 193 D CA 0.251 54.101 54.000 -0.250 0.000 0.879 193 D CB 1.717 42.478 40.800 -0.065 0.000 1.164 193 D HN 0.721 nan 8.370 nan 0.000 0.462 194 T N 1.276 115.718 114.554 -0.187 0.000 2.849 194 T HA -0.200 4.151 4.350 0.002 0.000 0.270 194 T C 1.334 176.026 174.700 -0.014 0.000 1.066 194 T CA 1.234 63.288 62.100 -0.077 0.000 1.130 194 T CB -0.424 68.523 68.868 0.131 0.000 0.864 194 T HN 0.451 nan 8.240 nan 0.000 0.481 195 N N 1.427 120.052 118.700 -0.125 0.000 2.519 195 N HA -0.029 4.713 4.740 0.002 0.000 0.186 195 N C 1.654 177.145 175.510 -0.030 0.000 1.062 195 N CA 0.866 53.876 53.050 -0.066 0.000 0.910 195 N CB -0.164 38.190 38.487 -0.222 0.000 0.958 195 N HN 0.637 nan 8.380 nan 0.000 0.445 196 E N -0.210 119.956 120.200 -0.056 0.000 2.481 196 E HA -0.038 4.314 4.350 0.002 0.000 0.195 196 E C 1.226 177.807 176.600 -0.032 0.000 1.047 196 E CA 0.499 56.876 56.400 -0.039 0.000 0.867 196 E CB 0.401 30.079 29.700 -0.037 0.000 0.858 196 E HN 0.382 nan 8.360 nan 0.000 0.513 197 V N -2.089 117.813 119.914 -0.021 0.000 3.502 197 V HA 0.212 4.333 4.120 0.002 0.000 0.288 197 V C 0.008 176.115 176.094 0.022 0.000 1.461 197 V CA -0.204 62.083 62.300 -0.022 0.000 1.029 197 V CB 0.036 31.820 31.823 -0.064 0.000 0.843 197 V HN 0.133 nan 8.190 nan 0.000 0.438 198 E N 0.702 120.957 120.200 0.092 0.000 2.430 198 E HA 0.780 5.131 4.350 0.002 0.000 0.279 198 E C -0.890 175.813 176.600 0.172 0.000 1.003 198 E CA -0.124 56.375 56.400 0.166 0.000 0.801 198 E CB 2.134 32.030 29.700 0.326 0.000 1.313 198 E HN 0.474 nan 8.360 nan 0.000 0.459 199 S N 0.297 115.993 115.700 -0.007 0.000 2.636 199 S HA 0.388 4.860 4.470 0.002 0.000 0.268 199 S C -0.715 173.295 174.600 -0.983 0.000 1.159 199 S CA -1.050 56.889 58.200 -0.434 0.000 0.815 199 S CB 1.129 64.174 63.200 -0.258 0.000 1.130 199 S HN 0.626 nan 8.310 nan 0.000 0.471 200 E N 1.339 120.783 120.200 -1.260 0.000 2.442 200 E HA 0.254 4.605 4.350 0.002 0.000 0.260 200 E C -1.249 175.068 176.600 -0.471 0.000 1.148 200 E CA -1.051 54.791 56.400 -0.930 0.000 0.976 200 E CB 0.375 29.702 29.700 -0.623 0.000 0.967 200 E HN 0.551 nan 8.360 nan 0.000 0.454 201 P HA -0.020 nan 4.420 nan 0.000 0.235 201 P C 0.699 177.833 177.300 -0.278 0.000 1.177 201 P CA 0.926 63.849 63.100 -0.295 0.000 0.785 201 P CB 0.388 31.970 31.700 -0.197 0.000 0.885 202 L N -2.856 118.205 121.223 -0.271 0.000 2.585 202 L HA 0.216 4.557 4.340 0.002 0.000 0.226 202 L C 0.115 177.086 176.870 0.168 0.000 1.113 202 L CA -0.106 54.641 54.840 -0.154 0.000 0.876 202 L CB -0.556 41.401 42.059 -0.169 0.000 1.072 202 L HN -0.102 nan 8.230 nan 0.000 0.468 203 W N 0.469 121.845 121.300 0.127 0.000 5.963 203 W HA -0.272 4.389 4.660 0.002 0.000 0.400 203 W C 0.326 176.898 176.519 0.090 0.000 1.530 203 W CA -0.102 57.319 57.345 0.126 0.000 1.004 203 W CB -2.009 27.539 29.460 0.146 0.000 2.706 203 W HN 0.205 nan 8.180 nan 0.000 1.495 204 N N 1.094 119.866 118.700 0.119 0.000 2.485 204 N HA 0.377 5.118 4.740 0.002 0.000 0.280 204 N C 0.246 175.774 175.510 0.029 0.000 1.205 204 N CA -0.897 52.186 53.050 0.055 0.000 0.959 204 N CB 0.556 39.030 38.487 -0.022 0.000 1.206 204 N HN 0.158 nan 8.380 nan 0.000 0.545 205 K N -0.651 119.732 120.400 -0.027 0.000 2.469 205 K HA 0.183 4.504 4.320 0.002 0.000 0.274 205 K C 0.325 176.891 176.600 -0.057 0.000 0.983 205 K CA -0.660 55.595 56.287 -0.054 0.000 0.974 205 K CB 0.133 32.542 32.500 -0.151 0.000 0.913 205 K HN 0.290 nan 8.250 nan 0.000 0.493 206 V N 0.072 119.962 119.914 -0.040 0.000 3.376 206 V HA 0.049 4.171 4.120 0.002 0.000 0.303 206 V C 0.523 176.595 176.094 -0.036 0.000 1.100 206 V CA -0.300 61.974 62.300 -0.044 0.000 1.126 206 V CB 0.738 32.540 31.823 -0.035 0.000 1.085 206 V HN 1.007 nan 8.190 nan 0.000 0.480 207 S N 0.525 116.207 115.700 -0.030 0.000 2.576 207 S HA 0.065 4.536 4.470 0.002 0.000 0.272 207 S C 0.654 175.261 174.600 0.010 0.000 1.352 207 S CA 0.335 58.528 58.200 -0.010 0.000 1.021 207 S CB 0.569 63.758 63.200 -0.018 0.000 0.887 207 S HN 0.820 nan 8.310 nan 0.000 0.542 208 D N 0.992 121.415 120.400 0.038 0.000 2.133 208 D HA -0.134 4.507 4.640 0.002 0.000 0.195 208 D C 1.768 178.055 176.300 -0.021 0.000 0.997 208 D CA 1.706 55.725 54.000 0.032 0.000 0.840 208 D CB -0.459 40.362 40.800 0.035 0.000 0.947 208 D HN 0.762 nan 8.370 nan 0.000 0.452 209 E N 0.979 121.167 120.200 -0.020 0.000 2.070 209 E HA -0.202 4.149 4.350 0.002 0.000 0.197 209 E C 2.045 178.624 176.600 -0.035 0.000 1.004 209 E CA 1.380 57.762 56.400 -0.029 0.000 0.805 209 E CB -0.240 29.447 29.700 -0.022 0.000 0.744 209 E HN 0.368 nan 8.360 nan 0.000 0.451 210 Q N -0.597 119.185 119.800 -0.029 0.000 2.167 210 Q HA -0.045 4.296 4.340 0.002 0.000 0.202 210 Q C 2.392 178.371 176.000 -0.035 0.000 0.970 210 Q CA 1.045 56.830 55.803 -0.030 0.000 0.855 210 Q CB -0.057 28.664 28.738 -0.029 0.000 0.911 210 Q HN 0.306 nan 8.270 nan 0.000 0.438 211 L N 0.655 121.854 121.223 -0.041 0.000 2.046 211 L HA -0.202 4.139 4.340 0.002 0.000 0.208 211 L C 2.529 179.330 176.870 -0.115 0.000 1.077 211 L CA 1.148 55.950 54.840 -0.062 0.000 0.747 211 L CB -0.440 41.593 42.059 -0.043 0.000 0.896 211 L HN 0.169 nan 8.230 nan 0.000 0.432 212 K N 0.393 120.712 120.400 -0.135 0.000 2.074 212 K HA -0.253 4.068 4.320 0.002 0.000 0.209 212 K C 2.085 178.636 176.600 -0.081 0.000 1.048 212 K CA 1.687 57.877 56.287 -0.161 0.000 0.926 212 K CB -0.091 32.341 32.500 -0.113 0.000 0.713 212 K HN 0.311 nan 8.250 nan 0.000 0.444 213 A N 1.524 124.317 122.820 -0.046 0.000 1.873 213 A HA -0.170 4.151 4.320 0.002 0.000 0.215 213 A C 2.117 179.702 177.584 0.002 0.000 1.186 213 A CA 1.429 53.454 52.037 -0.019 0.000 0.616 213 A CB -0.546 18.442 19.000 -0.019 0.000 0.823 213 A HN 0.421 nan 8.150 nan 0.000 0.442 214 M N 0.041 119.647 119.600 0.010 0.000 2.088 214 M HA -0.184 4.298 4.480 0.002 0.000 0.256 214 M C 2.042 178.423 176.300 0.136 0.000 1.071 214 M CA 1.945 57.291 55.300 0.077 0.000 1.097 214 M CB -0.918 31.701 32.600 0.032 0.000 1.315 214 M HN 0.434 nan 8.290 nan 0.000 0.406 215 L N -0.041 121.210 121.223 0.047 0.000 2.017 215 L HA -0.181 4.161 4.340 0.002 0.000 0.208 215 L C 2.745 179.694 176.870 0.132 0.000 1.073 215 L CA 1.354 56.244 54.840 0.083 0.000 0.745 215 L CB -1.065 40.976 42.059 -0.029 0.000 0.894 215 L HN 0.386 nan 8.230 nan 0.000 0.432 216 A N 0.037 122.907 122.820 0.083 0.000 1.877 216 A HA -0.257 4.064 4.320 0.002 0.000 0.216 216 A C 2.414 180.020 177.584 0.037 0.000 1.186 216 A CA 1.983 54.065 52.037 0.076 0.000 0.620 216 A CB -0.503 18.525 19.000 0.047 0.000 0.822 216 A HN 0.341 nan 8.150 nan 0.000 0.443 217 K N -1.239 119.161 120.400 0.000 0.000 2.211 217 K HA -0.171 4.150 4.320 0.002 0.000 0.203 217 K C 1.203 177.682 176.600 -0.203 0.000 1.050 217 K CA 1.335 57.560 56.287 -0.103 0.000 0.945 217 K CB -0.241 32.175 32.500 -0.140 0.000 0.732 217 K HN 0.673 nan 8.250 nan 0.000 0.451 218 H N -1.026 118.047 119.070 0.005 0.000 2.539 218 H HA 0.100 4.657 4.556 0.002 0.000 0.269 218 H C 0.754 176.095 175.328 0.022 0.000 0.980 218 H CA 0.798 56.849 56.048 0.006 0.000 1.152 218 H CB 0.873 30.632 29.762 -0.004 0.000 1.407 218 H HN 0.525 nan 8.280 nan 0.000 0.564 219 G N 1.607 110.467 108.800 0.100 0.000 2.137 219 G HA2 -0.251 3.710 3.960 0.002 0.000 0.237 219 G HA3 -0.251 3.710 3.960 0.002 0.000 0.237 219 G C 0.051 175.010 174.900 0.098 0.000 1.002 219 G CA 0.008 45.152 45.100 0.073 0.000 0.702 219 G HN 0.320 nan 8.290 nan 0.000 0.515 220 I N 0.479 121.143 120.570 0.156 0.000 2.339 220 I HA 0.505 4.676 4.170 0.002 0.000 0.290 220 I C 0.841 177.113 176.117 0.259 0.000 0.994 220 I CA -0.783 60.629 61.300 0.187 0.000 1.191 220 I CB 1.192 39.323 38.000 0.218 0.000 1.343 220 I HN 0.046 nan 8.210 nan 0.000 0.458 221 R N 3.453 124.005 120.500 0.086 0.000 2.797 221 R HA 0.305 4.646 4.340 0.002 0.000 0.251 221 R C 1.436 177.466 176.300 -0.450 0.000 1.107 221 R CA -0.728 55.291 56.100 -0.134 0.000 1.084 221 R CB 0.750 30.976 30.300 -0.124 0.000 1.205 221 R HN 0.657 nan 8.270 nan 0.000 0.515 222 H N 0.597 119.010 119.070 -1.095 0.000 2.489 222 H HA -0.112 4.446 4.556 0.002 0.000 0.295 222 H C 0.013 175.170 175.328 -0.285 0.000 1.082 222 H CA 1.704 57.243 56.048 -0.847 0.000 1.295 222 H CB 0.098 29.371 29.762 -0.815 0.000 1.380 222 H HN 0.622 nan 8.280 nan 0.000 0.548 223 D N 0.498 120.424 120.400 -0.790 0.000 2.462 223 D HA 0.069 4.710 4.640 0.002 0.000 0.221 223 D C -0.163 176.015 176.300 -0.203 0.000 1.173 223 D CA -0.402 53.292 54.000 -0.510 0.000 0.831 223 D CB -0.414 40.016 40.800 -0.617 0.000 1.001 223 D HN 0.059 nan 8.370 nan 0.000 0.499 224 T N 0.823 115.302 114.554 -0.125 0.000 2.794 224 T HA 0.233 4.584 4.350 0.002 0.000 0.296 224 T C 0.240 174.984 174.700 0.072 0.000 0.949 224 T CA -0.064 62.039 62.100 0.004 0.000 1.101 224 T CB 1.094 69.982 68.868 0.032 0.000 0.905 224 T HN -0.006 nan 8.240 nan 0.000 0.516 225 T N 3.899 118.542 114.554 0.148 0.000 2.834 225 T HA 0.286 4.637 4.350 0.002 0.000 0.298 225 T C 0.217 175.056 174.700 0.231 0.000 0.966 225 T CA -0.301 61.916 62.100 0.195 0.000 1.141 225 T CB 0.266 69.289 68.868 0.258 0.000 0.905 225 T HN 0.301 nan 8.240 nan 0.000 0.535 226 V N 5.763 125.788 119.914 0.185 0.000 2.435 226 V HA 0.471 4.593 4.120 0.002 0.000 0.290 226 V C 0.013 176.219 176.094 0.187 0.000 1.030 226 V CA -0.741 61.667 62.300 0.180 0.000 0.881 226 V CB 1.505 33.404 31.823 0.126 0.000 0.983 226 V HN 0.759 nan 8.190 nan 0.000 0.445 227 I N 6.150 126.853 120.570 0.222 0.000 2.390 227 I HA 0.408 4.579 4.170 0.002 0.000 0.283 227 I C -0.552 175.694 176.117 0.216 0.000 1.016 227 I CA -0.113 61.322 61.300 0.225 0.000 1.151 227 I CB 1.284 39.450 38.000 0.277 0.000 1.293 227 I HN 0.371 nan 8.210 nan 0.000 0.458 228 L N 7.348 128.670 121.223 0.165 0.000 2.325 228 L HA 0.537 4.879 4.340 0.002 0.000 0.279 228 L C -0.695 176.304 176.870 0.216 0.000 1.054 228 L CA -0.598 54.313 54.840 0.119 0.000 0.804 228 L CB 1.065 43.133 42.059 0.015 0.000 1.200 228 L HN 0.495 nan 8.230 nan 0.000 0.436 229 Y N 0.671 121.010 120.300 0.066 0.000 2.588 229 Y HA 0.937 5.489 4.550 0.002 0.000 0.343 229 Y C -0.372 175.588 175.900 0.099 0.000 1.065 229 Y CA -1.052 57.110 58.100 0.103 0.000 1.038 229 Y CB 1.814 40.365 38.460 0.153 0.000 1.297 229 Y HN 0.524 nan 8.280 nan 0.000 0.467 230 G N 1.310 110.173 108.800 0.104 0.000 2.672 230 G HA2 0.441 4.402 3.960 0.002 0.000 0.292 230 G HA3 0.441 4.402 3.960 0.002 0.000 0.292 230 G C -0.651 174.419 174.900 0.283 0.000 1.375 230 G CA -1.282 43.835 45.100 0.027 0.000 0.890 230 G HN 0.628 nan 8.290 nan 0.000 0.476 231 R N -0.409 120.240 120.500 0.248 0.000 2.139 231 R HA -0.006 4.335 4.340 0.002 0.000 0.243 231 R C 0.106 176.556 176.300 0.250 0.000 1.145 231 R CA 1.311 57.590 56.100 0.299 0.000 0.976 231 R CB 0.070 30.491 30.300 0.202 0.000 0.866 231 R HN 0.500 nan 8.270 nan 0.000 0.449 232 D N -1.150 119.384 120.400 0.224 0.000 2.375 232 D HA 0.090 4.732 4.640 0.002 0.000 0.247 232 D C 0.837 177.248 176.300 0.185 0.000 1.061 232 D CA -0.321 53.793 54.000 0.189 0.000 0.834 232 D CB 2.225 43.215 40.800 0.316 0.000 1.247 232 D HN -0.258 nan 8.370 nan 0.000 0.489 233 V N 2.572 122.550 119.914 0.108 0.000 2.332 233 V HA -0.296 3.825 4.120 0.002 0.000 0.248 233 V C 2.163 178.347 176.094 0.150 0.000 1.055 233 V CA 1.665 64.036 62.300 0.119 0.000 1.038 233 V CB -0.936 30.953 31.823 0.111 0.000 0.651 233 V HN 0.686 nan 8.190 nan 0.000 0.450 234 Y N 0.056 120.386 120.300 0.050 0.000 2.403 234 Y HA -0.028 4.523 4.550 0.002 0.000 0.291 234 Y C 2.387 178.114 175.900 -0.288 0.000 1.143 234 Y CA 0.551 58.631 58.100 -0.033 0.000 1.257 234 Y CB -0.689 37.837 38.460 0.111 0.000 0.984 234 Y HN 0.168 nan 8.280 nan 0.000 0.550 235 A N 1.898 124.712 122.820 -0.011 0.000 1.877 235 A HA -0.102 4.220 4.320 0.002 0.000 0.216 235 A C 2.481 179.792 177.584 -0.454 0.000 1.186 235 A CA 1.947 53.615 52.037 -0.616 0.000 0.620 235 A CB -1.182 17.699 19.000 -0.198 0.000 0.822 235 A HN 0.623 nan 8.150 nan 0.000 0.443 236 A N -0.372 122.325 122.820 -0.205 0.000 1.929 236 A HA 0.265 4.586 4.320 0.002 0.000 0.216 236 A C 2.485 179.978 177.584 -0.152 0.000 1.176 236 A CA 1.792 53.729 52.037 -0.166 0.000 0.628 236 A CB -0.952 18.015 19.000 -0.056 0.000 0.816 236 A HN 1.023 nan 8.150 nan 0.000 0.444 237 A N 0.139 122.882 122.820 -0.128 0.000 1.908 237 A HA -0.180 4.142 4.320 0.002 0.000 0.218 237 A C 2.165 179.635 177.584 -0.191 0.000 1.181 237 A CA 2.208 54.172 52.037 -0.121 0.000 0.627 237 A CB -0.472 18.453 19.000 -0.126 0.000 0.818 237 A HN 0.468 nan 8.150 nan 0.000 0.445 238 R N 0.029 120.320 120.500 -0.348 0.000 2.096 238 R HA -0.115 4.226 4.340 0.002 0.000 0.240 238 R C 1.786 177.906 176.300 -0.301 0.000 1.139 238 R CA 2.384 58.227 56.100 -0.429 0.000 0.952 238 R CB -1.227 28.534 30.300 -0.898 0.000 0.854 238 R HN 0.260 nan 8.270 nan 0.000 0.436 239 V N 0.760 120.495 119.914 -0.299 0.000 2.453 239 V HA -0.111 4.010 4.120 0.002 0.000 0.247 239 V C 2.365 178.381 176.094 -0.131 0.000 1.048 239 V CA 1.698 63.868 62.300 -0.216 0.000 1.049 239 V CB -0.861 30.816 31.823 -0.244 0.000 0.672 239 V HN 0.547 nan 8.190 nan 0.000 0.457 240 A N -0.561 122.198 122.820 -0.103 0.000 1.877 240 A HA -0.267 4.054 4.320 0.002 0.000 0.216 240 A C 2.265 179.852 177.584 0.004 0.000 1.186 240 A CA 1.900 53.925 52.037 -0.021 0.000 0.620 240 A CB -0.588 18.420 19.000 0.014 0.000 0.822 240 A HN 0.480 nan 8.150 nan 0.000 0.443 241 Q N -0.030 119.739 119.800 -0.050 0.000 2.124 241 Q HA -0.145 4.196 4.340 0.002 0.000 0.202 241 Q C 2.006 177.944 176.000 -0.104 0.000 0.977 241 Q CA 1.751 57.470 55.803 -0.140 0.000 0.850 241 Q CB -0.286 28.216 28.738 -0.393 0.000 0.901 241 Q HN 0.714 nan 8.270 nan 0.000 0.429 242 I N 0.292 120.808 120.570 -0.091 0.000 2.226 242 I HA -0.314 3.857 4.170 0.002 0.000 0.245 242 I C 2.582 178.750 176.117 0.085 0.000 1.100 242 I CA 1.064 62.349 61.300 -0.025 0.000 1.374 242 I CB -0.214 37.741 38.000 -0.076 0.000 1.057 242 I HN 0.214 nan 8.210 nan 0.000 0.413 243 M N -0.200 119.426 119.600 0.044 0.000 2.159 243 M HA -0.217 4.264 4.480 0.002 0.000 0.263 243 M C 2.349 178.727 176.300 0.130 0.000 1.063 243 M CA 1.802 57.150 55.300 0.080 0.000 1.110 243 M CB -0.359 32.279 32.600 0.064 0.000 1.374 243 M HN 0.259 nan 8.290 nan 0.000 0.411 244 L N -1.164 120.137 121.223 0.129 0.000 2.017 244 L HA -0.238 4.104 4.340 0.002 0.000 0.208 244 L C 2.619 179.583 176.870 0.156 0.000 1.073 244 L CA 1.473 56.408 54.840 0.158 0.000 0.745 244 L CB -0.826 41.354 42.059 0.201 0.000 0.894 244 L HN 0.267 nan 8.230 nan 0.000 0.432 245 Y N 0.773 121.084 120.300 0.018 0.000 2.128 245 Y HA -0.347 4.204 4.550 0.003 0.000 0.284 245 Y C 2.443 178.359 175.900 0.027 0.000 1.154 245 Y CA 1.609 59.714 58.100 0.008 0.000 1.149 245 Y CB -0.398 38.037 38.460 -0.043 0.000 0.976 245 Y HN 0.102 nan 8.280 nan 0.000 0.505 246 A N -0.269 122.536 122.820 -0.024 0.000 1.908 246 A HA 0.103 4.424 4.320 0.002 0.000 0.218 246 A C 2.035 179.590 177.584 -0.050 0.000 1.181 246 A CA 1.975 53.910 52.037 -0.169 0.000 0.627 246 A CB -1.303 17.636 19.000 -0.101 0.000 0.818 246 A HN 1.176 nan 8.150 nan 0.000 0.445 247 G N -2.886 106.004 108.800 0.150 0.000 2.276 247 G HA2 0.010 3.971 3.960 0.002 0.000 0.177 247 G HA3 0.010 3.971 3.960 0.002 0.000 0.177 247 G C -0.050 175.082 174.900 0.387 0.000 1.017 247 G CA -0.147 45.117 45.100 0.273 0.000 0.750 247 G HN 0.733 nan 8.290 nan 0.000 0.506 248 V N 1.784 121.948 119.914 0.417 0.000 2.434 248 V HA 0.167 4.288 4.120 0.002 0.000 0.281 248 V C 1.837 178.024 176.094 0.156 0.000 1.005 248 V CA 1.339 63.803 62.300 0.274 0.000 1.089 248 V CB 1.055 33.029 31.823 0.252 0.000 0.978 248 V HN 0.493 nan 8.190 nan 0.000 0.474 249 K N 4.039 124.500 120.400 0.101 0.000 2.057 249 K HA -0.094 4.227 4.320 0.002 0.000 0.206 249 K C 0.816 177.453 176.600 0.062 0.000 1.050 249 K CA 1.359 57.693 56.287 0.078 0.000 0.935 249 K CB 0.124 32.659 32.500 0.059 0.000 0.715 249 K HN 0.704 nan 8.250 nan 0.000 0.439 250 D N 0.721 121.157 120.400 0.061 0.000 2.460 250 D HA 0.222 4.864 4.640 0.002 0.000 0.232 250 D C -1.596 174.759 176.300 0.092 0.000 1.079 250 D CA -0.509 53.529 54.000 0.065 0.000 0.864 250 D CB 1.094 41.933 40.800 0.066 0.000 1.048 250 D HN -0.082 nan 8.370 nan 0.000 0.523 251 V N 4.748 124.715 119.914 0.088 0.000 2.656 251 V HA 0.636 4.757 4.120 0.002 0.000 0.307 251 V C 0.197 176.348 176.094 0.094 0.000 1.051 251 V CA -0.795 61.567 62.300 0.103 0.000 0.893 251 V CB 2.041 33.928 31.823 0.108 0.000 0.999 251 V HN 0.404 nan 8.190 nan 0.000 0.426 252 R N 3.709 124.272 120.500 0.106 0.000 2.836 252 R HA 0.789 5.131 4.340 0.002 0.000 0.269 252 R C -1.711 174.661 176.300 0.119 0.000 1.010 252 R CA -0.942 55.219 56.100 0.102 0.000 0.930 252 R CB 2.482 32.836 30.300 0.090 0.000 1.218 252 R HN 0.491 nan 8.270 nan 0.000 0.473 253 L N 1.700 123.000 121.223 0.128 0.000 2.346 253 L HA 0.423 4.765 4.340 0.002 0.000 0.274 253 L C -0.674 176.297 176.870 0.169 0.000 1.007 253 L CA -1.299 53.632 54.840 0.151 0.000 0.818 253 L CB 1.823 43.973 42.059 0.151 0.000 1.284 253 L HN 0.330 nan 8.230 nan 0.000 0.424 254 L N 2.748 124.092 121.223 0.201 0.000 2.485 254 L HA 0.124 4.465 4.340 0.002 0.000 0.279 254 L C 0.108 177.089 176.870 0.186 0.000 1.124 254 L CA 0.191 55.145 54.840 0.190 0.000 0.888 254 L CB -0.180 42.008 42.059 0.214 0.000 1.217 254 L HN 0.413 nan 8.230 nan 0.000 0.464 255 D N 4.463 124.965 120.400 0.170 0.000 2.520 255 D HA 0.247 4.888 4.640 0.002 0.000 0.243 255 D C 1.303 177.669 176.300 0.109 0.000 1.160 255 D CA 1.499 55.594 54.000 0.158 0.000 0.877 255 D CB 0.546 41.436 40.800 0.150 0.000 1.150 255 D HN 0.898 nan 8.370 nan 0.000 0.494 256 G N 2.352 111.196 108.800 0.073 0.000 2.184 256 G HA2 -0.112 3.849 3.960 0.002 0.000 0.264 256 G HA3 -0.112 3.849 3.960 0.002 0.000 0.264 256 G C 0.950 175.890 174.900 0.066 0.000 0.975 256 G CA 0.449 45.549 45.100 0.000 0.000 0.642 256 G HN 1.531 nan 8.290 nan 0.000 0.536 257 G N -0.978 107.915 108.800 0.155 0.000 2.645 257 G HA2 -0.222 3.739 3.960 0.002 0.000 0.246 257 G HA3 -0.222 3.739 3.960 0.002 0.000 0.246 257 G C 1.023 176.114 174.900 0.319 0.000 1.322 257 G CA 0.885 46.148 45.100 0.272 0.000 0.898 257 G HN 1.559 nan 8.290 nan 0.000 0.573 258 W N 0.541 122.028 121.300 0.311 0.000 2.321 258 W HA -0.197 4.464 4.660 0.002 0.000 0.306 258 W C 2.227 178.868 176.519 0.203 0.000 1.217 258 W CA 2.887 60.398 57.345 0.275 0.000 1.257 258 W CB -0.342 29.343 29.460 0.374 0.000 1.145 258 W HN 0.637 nan 8.180 nan 0.000 0.509 259 Q N 0.752 120.567 119.800 0.024 0.000 2.197 259 Q HA -0.215 4.126 4.340 0.002 0.000 0.207 259 Q C 2.434 178.319 176.000 -0.193 0.000 0.984 259 Q CA 3.516 59.243 55.803 -0.126 0.000 0.869 259 Q CB -0.929 27.838 28.738 0.048 0.000 0.906 259 Q HN 0.448 nan 8.270 nan 0.000 0.426 260 T N -3.138 111.358 114.554 -0.097 0.000 2.904 260 T HA -0.134 4.217 4.350 0.002 0.000 0.267 260 T C 1.520 176.140 174.700 -0.134 0.000 1.059 260 T CA 0.927 62.981 62.100 -0.077 0.000 1.137 260 T CB -0.641 68.230 68.868 0.006 0.000 0.879 260 T HN 0.524 nan 8.240 nan 0.000 0.467 261 W N 1.593 122.649 121.300 -0.406 0.000 2.418 261 W HA 0.043 4.704 4.660 0.002 0.000 0.292 261 W C 2.506 178.676 176.519 -0.582 0.000 1.213 261 W CA 1.014 58.080 57.345 -0.465 0.000 1.283 261 W CB -0.483 28.668 29.460 -0.516 0.000 1.119 261 W HN 0.407 nan 8.180 nan 0.000 0.542 262 S N 0.713 116.024 115.700 -0.647 0.000 2.368 262 S HA -0.184 4.288 4.470 0.002 0.000 0.225 262 S C 1.278 175.691 174.600 -0.313 0.000 1.030 262 S CA 1.969 59.833 58.200 -0.561 0.000 0.999 262 S CB -0.407 62.398 63.200 -0.659 0.000 0.844 262 S HN 0.133 nan 8.310 nan 0.000 0.459 263 D N 1.109 121.350 120.400 -0.264 0.000 2.269 263 D HA 0.162 4.803 4.640 0.002 0.000 0.208 263 D C 1.830 178.011 176.300 -0.199 0.000 0.963 263 D CA 0.940 54.836 54.000 -0.174 0.000 0.864 263 D CB -0.361 40.371 40.800 -0.115 0.000 0.936 263 D HN 0.484 nan 8.370 nan 0.000 0.505 264 A N 0.043 122.690 122.820 -0.287 0.000 2.206 264 A HA 0.336 4.658 4.320 0.002 0.000 0.211 264 A C 1.820 179.195 177.584 -0.349 0.000 1.158 264 A CA 0.982 52.830 52.037 -0.314 0.000 0.761 264 A CB -0.436 18.318 19.000 -0.411 0.000 0.801 264 A HN 0.219 nan 8.150 nan 0.000 0.473 265 G N -0.864 107.734 108.800 -0.337 0.000 2.225 265 G HA2 -0.248 3.713 3.960 0.002 0.000 0.267 265 G HA3 -0.248 3.713 3.960 0.002 0.000 0.267 265 G C 0.134 174.825 174.900 -0.348 0.000 1.024 265 G CA 0.559 45.497 45.100 -0.270 0.000 0.784 265 G HN 0.464 nan 8.290 nan 0.000 0.507 266 L N 0.135 120.999 121.223 -0.598 0.000 2.466 266 L HA 0.407 4.748 4.340 0.002 0.000 0.257 266 L C -1.167 175.544 176.870 -0.266 0.000 1.189 266 L CA -2.016 52.405 54.840 -0.698 0.000 0.813 266 L CB 0.235 41.415 42.059 -1.465 0.000 1.118 266 L HN -0.045 nan 8.230 nan 0.000 0.471 267 P HA 0.098 nan 4.420 nan 0.000 0.269 267 P C -1.100 176.400 177.300 0.333 0.000 1.217 267 P CA -0.149 63.022 63.100 0.118 0.000 0.783 267 P CB 0.628 32.414 31.700 0.143 0.000 0.898 268 V N -1.873 118.174 119.914 0.223 0.000 3.102 268 V HA 0.666 4.787 4.120 0.002 0.000 0.312 268 V C -0.591 175.504 176.094 0.002 0.000 1.135 268 V CA -0.837 61.580 62.300 0.195 0.000 1.022 268 V CB 2.247 34.226 31.823 0.260 0.000 1.056 268 V HN 0.444 nan 8.190 nan 0.000 0.436 269 E N 0.320 120.383 120.200 -0.228 0.000 2.378 269 E HA 0.766 5.118 4.350 0.002 0.000 0.265 269 E C -1.060 175.125 176.600 -0.692 0.000 0.932 269 E CA -1.058 55.123 56.400 -0.364 0.000 0.795 269 E CB 2.866 32.418 29.700 -0.247 0.000 1.296 269 E HN 0.740 nan 8.360 nan 0.000 0.438 270 R N -0.462 119.806 120.500 -0.388 0.000 2.885 270 R HA 0.748 5.089 4.340 0.002 0.000 0.260 270 R C -0.330 175.977 176.300 0.012 0.000 1.107 270 R CA -0.500 55.458 56.100 -0.238 0.000 0.978 270 R CB 1.727 31.960 30.300 -0.110 0.000 1.227 270 R HN 0.744 nan 8.270 nan 0.000 0.473 271 G N 0.242 109.081 108.800 0.064 0.000 2.725 271 G HA2 -0.253 3.709 3.960 0.002 0.000 0.220 271 G HA3 -0.253 3.709 3.960 0.002 0.000 0.220 271 G C -0.331 174.694 174.900 0.209 0.000 1.357 271 G CA -0.432 44.736 45.100 0.114 0.000 0.866 271 G HN 0.809 nan 8.290 nan 0.000 0.548 272 T N -0.311 114.333 114.554 0.151 0.000 2.898 272 T HA 0.548 4.899 4.350 0.002 0.000 0.301 272 T C -2.226 172.595 174.700 0.202 0.000 1.049 272 T CA -0.488 61.696 62.100 0.139 0.000 1.095 272 T CB 1.205 70.100 68.868 0.046 0.000 0.976 272 T HN 0.558 nan 8.240 nan 0.000 0.539 273 P HA 0.251 nan 4.420 nan 0.000 0.262 273 P C -2.177 175.172 177.300 0.081 0.000 1.199 273 P CA -0.884 62.282 63.100 0.111 0.000 0.763 273 P CB -0.750 30.898 31.700 -0.087 0.000 0.790 274 P HA 0.004 nan 4.420 nan 0.000 0.270 274 P C -0.119 177.199 177.300 0.029 0.000 1.221 274 P CA 0.083 63.222 63.100 0.065 0.000 0.788 274 P CB 0.332 32.077 31.700 0.076 0.000 0.904 275 K N 0.457 120.863 120.400 0.011 0.000 2.295 275 K HA 0.269 4.591 4.320 0.002 0.000 0.270 275 K C -0.361 176.230 176.600 -0.014 0.000 1.011 275 K CA -0.324 55.956 56.287 -0.012 0.000 0.953 275 K CB 0.236 32.727 32.500 -0.014 0.000 0.956 275 K HN 0.140 nan 8.250 nan 0.000 0.477 276 V N 2.251 122.144 119.914 -0.035 0.000 2.513 276 V HA 0.183 4.304 4.120 0.002 0.000 0.299 276 V C 0.362 176.435 176.094 -0.035 0.000 1.035 276 V CA -1.007 61.275 62.300 -0.031 0.000 0.889 276 V CB 1.697 33.498 31.823 -0.037 0.000 0.988 276 V HN 0.642 nan 8.190 nan 0.000 0.440 277 K N 3.377 123.762 120.400 -0.024 0.000 2.402 277 K HA 0.389 4.710 4.320 0.002 0.000 0.285 277 K C 0.419 177.009 176.600 -0.017 0.000 1.054 277 K CA -0.152 56.123 56.287 -0.021 0.000 1.001 277 K CB 0.460 32.949 32.500 -0.019 0.000 0.946 277 K HN 0.909 nan 8.250 nan 0.000 0.473 278 A N 3.992 126.801 122.820 -0.020 0.000 2.531 278 A HA -0.027 4.294 4.320 0.002 0.000 0.236 278 A C -0.091 177.499 177.584 0.010 0.000 1.062 278 A CA 0.190 52.221 52.037 -0.011 0.000 0.760 278 A CB 0.250 19.240 19.000 -0.016 0.000 0.995 278 A HN 0.757 nan 8.150 nan 0.000 0.501 279 E N 2.055 122.274 120.200 0.031 0.000 2.593 279 E HA 0.426 4.777 4.350 0.002 0.000 0.232 279 E C -2.260 174.383 176.600 0.073 0.000 1.026 279 E CA -2.002 54.428 56.400 0.051 0.000 0.772 279 E CB 1.037 30.777 29.700 0.067 0.000 1.310 279 E HN 0.324 nan 8.360 nan 0.000 0.413 280 P HA 0.032 nan 4.420 nan 0.000 0.225 280 P C -0.294 177.058 177.300 0.087 0.000 1.156 280 P CA 0.426 63.561 63.100 0.058 0.000 0.787 280 P CB 0.334 32.055 31.700 0.035 0.000 0.802 281 D N -1.075 119.380 120.400 0.092 0.000 2.373 281 D HA 0.086 4.727 4.640 0.002 0.000 0.227 281 D C 0.335 176.735 176.300 0.166 0.000 1.091 281 D CA -0.716 53.349 54.000 0.109 0.000 0.840 281 D CB 0.085 40.925 40.800 0.066 0.000 1.060 281 D HN -0.177 nan 8.370 nan 0.000 0.502 282 F N 3.511 123.489 119.950 0.046 0.000 2.234 282 F HA 0.176 4.705 4.527 0.003 0.000 0.296 282 F C 2.017 177.890 175.800 0.122 0.000 1.089 282 F CA 1.761 59.806 58.000 0.075 0.000 1.343 282 F CB 0.184 39.212 39.000 0.047 0.000 1.040 282 F HN 0.618 nan 8.300 nan 0.000 0.498 283 G N -0.049 108.781 108.800 0.051 0.000 2.195 283 G HA2 -0.138 3.824 3.960 0.002 0.000 0.224 283 G HA3 -0.138 3.824 3.960 0.002 0.000 0.224 283 G C -0.096 174.614 174.900 -0.317 0.000 0.990 283 G CA 0.168 45.208 45.100 -0.099 0.000 0.639 283 G HN 1.066 nan 8.290 nan 0.000 0.514 284 V N -2.980 116.820 119.914 -0.189 0.000 3.159 284 V HA 0.819 4.941 4.120 0.002 0.000 0.308 284 V C 0.060 176.206 176.094 0.088 0.000 1.190 284 V CA -1.062 61.162 62.300 -0.127 0.000 1.037 284 V CB 1.807 33.501 31.823 -0.216 0.000 1.060 284 V HN 0.435 nan 8.190 nan 0.000 0.437 285 K N 1.587 122.007 120.400 0.032 0.000 2.368 285 K HA 0.500 4.821 4.320 0.002 0.000 0.282 285 K C -0.622 175.996 176.600 0.031 0.000 1.035 285 K CA -0.386 55.921 56.287 0.033 0.000 0.973 285 K CB 0.507 33.006 32.500 -0.002 0.000 0.957 285 K HN 0.702 nan 8.250 nan 0.000 0.474 286 I N 7.462 128.026 120.570 -0.011 0.000 2.371 286 I HA 0.194 4.366 4.170 0.002 0.000 0.290 286 I C -1.816 174.228 176.117 -0.122 0.000 1.028 286 I CA -2.085 59.147 61.300 -0.113 0.000 1.345 286 I CB 1.145 39.017 38.000 -0.214 0.000 1.407 286 I HN 0.559 nan 8.210 nan 0.000 0.501 287 P HA 0.293 nan 4.420 nan 0.000 0.300 287 P C -0.094 177.060 177.300 -0.243 0.000 1.326 287 P CA -0.538 62.324 63.100 -0.397 0.000 0.844 287 P CB 2.009 33.173 31.700 -0.894 0.000 0.992 288 A N 3.162 125.896 122.820 -0.143 0.000 2.067 288 A HA -0.028 4.293 4.320 0.002 0.000 0.217 288 A C 0.951 178.498 177.584 -0.061 0.000 1.156 288 A CA 1.017 53.022 52.037 -0.053 0.000 0.683 288 A CB -0.303 18.716 19.000 0.032 0.000 0.808 288 A HN 0.503 nan 8.150 nan 0.000 0.455 289 Q N -0.553 119.175 119.800 -0.121 0.000 2.831 289 Q HA 0.170 4.511 4.340 0.002 0.000 0.366 289 Q C -2.231 173.754 176.000 -0.025 0.000 0.899 289 Q CA -1.542 54.241 55.803 -0.032 0.000 0.987 289 Q CB 0.946 29.716 28.738 0.053 0.000 1.382 289 Q HN 0.432 nan 8.270 nan 0.000 0.403 290 P HA -0.208 nan 4.420 nan 0.000 0.221 290 P C 1.181 178.613 177.300 0.219 0.000 1.145 290 P CA 1.245 64.398 63.100 0.089 0.000 0.795 290 P CB 0.313 32.050 31.700 0.062 0.000 0.775 291 Q N 0.147 120.036 119.800 0.148 0.000 2.515 291 Q HA -0.034 4.307 4.340 0.002 0.000 0.212 291 Q C 1.695 177.804 176.000 0.182 0.000 0.970 291 Q CA 0.805 56.696 55.803 0.147 0.000 0.941 291 Q CB -1.107 27.700 28.738 0.114 0.000 0.998 291 Q HN 0.335 nan 8.270 nan 0.000 0.518 292 L N -0.542 120.813 121.223 0.219 0.000 2.509 292 L HA 0.245 4.587 4.340 0.002 0.000 0.222 292 L C 0.760 177.680 176.870 0.084 0.000 1.123 292 L CA 0.098 55.058 54.840 0.200 0.000 0.856 292 L CB 0.101 42.275 42.059 0.193 0.000 0.985 292 L HN 0.176 nan 8.230 nan 0.000 0.456 293 M N 0.599 120.273 119.600 0.124 0.000 2.253 293 M HA 0.445 4.926 4.480 0.002 0.000 0.314 293 M C -1.068 175.283 176.300 0.086 0.000 1.019 293 M CA -0.140 55.174 55.300 0.024 0.000 0.932 293 M CB 1.609 34.094 32.600 -0.192 0.000 1.606 293 M HN -0.159 nan 8.290 nan 0.000 0.430 294 L N 3.472 124.770 121.223 0.125 0.000 2.343 294 L HA 0.546 4.887 4.340 0.002 0.000 0.275 294 L C -0.288 176.713 176.870 0.218 0.000 1.056 294 L CA -1.025 53.903 54.840 0.147 0.000 0.804 294 L CB 1.369 43.506 42.059 0.130 0.000 1.203 294 L HN 0.710 nan 8.230 nan 0.000 0.440 295 D N 0.695 121.183 120.400 0.146 0.000 2.529 295 D HA 0.160 4.802 4.640 0.002 0.000 0.273 295 D C 0.897 177.261 176.300 0.106 0.000 1.197 295 D CA -0.702 53.406 54.000 0.180 0.000 1.070 295 D CB 0.791 41.645 40.800 0.090 0.000 1.134 295 D HN 0.551 nan 8.370 nan 0.000 0.590 296 M N -0.390 119.295 119.600 0.142 0.000 2.086 296 M HA -0.187 4.294 4.480 0.002 0.000 0.261 296 M C 1.864 178.113 176.300 -0.085 0.000 1.067 296 M CA 1.930 57.224 55.300 -0.009 0.000 1.116 296 M CB -0.293 32.377 32.600 0.117 0.000 1.348 296 M HN 0.607 nan 8.290 nan 0.000 0.407 297 E N -0.318 119.860 120.200 -0.036 0.000 2.077 297 E HA -0.278 4.073 4.350 0.002 0.000 0.193 297 E C 1.837 178.417 176.600 -0.034 0.000 0.989 297 E CA 1.546 57.928 56.400 -0.029 0.000 0.800 297 E CB -0.659 29.030 29.700 -0.019 0.000 0.746 297 E HN 0.683 nan 8.360 nan 0.000 0.452 298 Q N 0.754 120.530 119.800 -0.039 0.000 2.050 298 Q HA -0.116 4.225 4.340 0.002 0.000 0.202 298 Q C 2.397 178.348 176.000 -0.082 0.000 0.980 298 Q CA 1.597 57.381 55.803 -0.032 0.000 0.840 298 Q CB -0.254 28.483 28.738 -0.001 0.000 0.898 298 Q HN 0.460 nan 8.270 nan 0.000 0.424 299 A N 1.417 124.113 122.820 -0.206 0.000 1.865 299 A HA -0.251 4.071 4.320 0.002 0.000 0.217 299 A C 2.050 179.511 177.584 -0.205 0.000 1.191 299 A CA 1.653 53.485 52.037 -0.342 0.000 0.623 299 A CB -0.651 17.752 19.000 -0.995 0.000 0.826 299 A HN 0.251 nan 8.150 nan 0.000 0.444 300 R N -0.619 119.835 120.500 -0.077 0.000 2.119 300 R HA -0.175 4.166 4.340 0.002 0.000 0.246 300 R C 2.133 178.455 176.300 0.037 0.000 1.146 300 R CA 1.636 57.785 56.100 0.082 0.000 0.962 300 R CB -0.760 29.644 30.300 0.174 0.000 0.863 300 R HN 0.500 nan 8.270 nan 0.000 0.442 301 G N 0.364 109.169 108.800 0.009 0.000 2.535 301 G HA2 -0.171 3.790 3.960 0.002 0.000 0.218 301 G HA3 -0.171 3.790 3.960 0.002 0.000 0.218 301 G C 1.271 176.177 174.900 0.010 0.000 1.122 301 G CA 0.352 45.462 45.100 0.018 0.000 0.769 301 G HN 0.280 nan 8.290 nan 0.000 0.549 302 L N -0.262 120.948 121.223 -0.020 0.000 2.509 302 L HA 0.305 4.647 4.340 0.002 0.000 0.222 302 L C 0.979 177.830 176.870 -0.032 0.000 1.123 302 L CA -0.306 54.520 54.840 -0.024 0.000 0.856 302 L CB -0.143 41.889 42.059 -0.045 0.000 0.985 302 L HN 0.093 nan 8.230 nan 0.000 0.456 303 L N 0.130 121.323 121.223 -0.050 0.000 2.439 303 L HA 0.111 4.452 4.340 0.002 0.000 0.269 303 L C 0.546 177.360 176.870 -0.093 0.000 1.179 303 L CA -0.282 54.455 54.840 -0.172 0.000 0.828 303 L CB 0.091 42.017 42.059 -0.222 0.000 1.106 303 L HN 0.299 nan 8.230 nan 0.000 0.467 304 H N 0.828 119.935 119.070 0.062 0.000 2.839 304 H HA -0.134 4.423 4.556 0.002 0.000 0.298 304 H C -0.281 175.079 175.328 0.052 0.000 1.224 304 H CA 0.460 56.545 56.048 0.062 0.000 1.144 304 H CB -1.247 28.549 29.762 0.057 0.000 1.372 304 H HN 0.587 nan 8.280 nan 0.000 0.408 305 R N 0.173 120.728 120.500 0.092 0.000 2.686 305 R HA 0.263 4.604 4.340 0.002 0.000 0.286 305 R C 0.960 177.298 176.300 0.064 0.000 0.969 305 R CA -0.771 55.374 56.100 0.074 0.000 0.898 305 R CB 1.382 31.713 30.300 0.051 0.000 1.183 305 R HN -0.028 nan 8.270 nan 0.000 0.456 306 Q N 0.969 120.804 119.800 0.057 0.000 2.331 306 Q HA -0.081 4.261 4.340 0.002 0.000 0.203 306 Q C 0.481 176.502 176.000 0.034 0.000 0.944 306 Q CA 1.185 57.018 55.803 0.050 0.000 0.892 306 Q CB 0.250 29.015 28.738 0.045 0.000 0.983 306 Q HN 0.642 nan 8.270 nan 0.000 0.482 307 D N -1.077 119.340 120.400 0.027 0.000 2.363 307 D HA 0.288 4.929 4.640 0.002 0.000 0.214 307 D C -0.095 176.211 176.300 0.010 0.000 1.093 307 D CA -0.131 53.877 54.000 0.014 0.000 0.837 307 D CB 0.344 41.152 40.800 0.013 0.000 0.948 307 D HN 0.002 nan 8.370 nan 0.000 0.507 308 A N -0.595 122.234 122.820 0.015 0.000 2.594 308 A HA 0.698 5.019 4.320 0.002 0.000 0.295 308 A C -1.145 176.442 177.584 0.004 0.000 1.071 308 A CA -0.677 51.362 52.037 0.004 0.000 0.685 308 A CB 1.813 20.815 19.000 0.004 0.000 1.285 308 A HN -0.001 nan 8.150 nan 0.000 0.405 309 S N 0.035 115.723 115.700 -0.019 0.000 2.547 309 S HA 0.598 5.070 4.470 0.002 0.000 0.281 309 S C -1.406 173.159 174.600 -0.058 0.000 1.118 309 S CA -0.403 57.784 58.200 -0.021 0.000 0.947 309 S CB 1.509 64.704 63.200 -0.008 0.000 1.053 309 S HN 0.996 nan 8.310 nan 0.000 0.482 310 L N 4.095 125.304 121.223 -0.022 0.000 2.280 310 L HA 0.656 4.997 4.340 0.002 0.000 0.287 310 L C -1.221 175.725 176.870 0.126 0.000 1.023 310 L CA -0.292 54.563 54.840 0.026 0.000 0.819 310 L CB 0.915 42.956 42.059 -0.030 0.000 1.212 310 L HN 0.467 nan 8.230 nan 0.000 0.420 311 V N 4.052 124.017 119.914 0.085 0.000 2.370 311 V HA 0.403 4.524 4.120 0.002 0.000 0.283 311 V C 0.251 176.279 176.094 -0.110 0.000 1.023 311 V CA -0.513 61.780 62.300 -0.011 0.000 0.857 311 V CB 1.495 33.188 31.823 -0.217 0.000 0.985 311 V HN 0.813 nan 8.190 nan 0.000 0.443 312 S N 6.101 121.694 115.700 -0.179 0.000 2.416 312 S HA 0.388 4.859 4.470 0.002 0.000 0.287 312 S C -0.008 174.503 174.600 -0.149 0.000 1.139 312 S CA -0.666 57.248 58.200 -0.477 0.000 1.058 312 S CB -0.060 63.135 63.200 -0.009 0.000 0.967 312 S HN 0.485 nan 8.310 nan 0.000 0.495 313 I N 6.666 127.133 120.570 -0.171 0.000 2.261 313 I HA 0.340 4.511 4.170 0.002 0.000 0.285 313 I C 0.663 176.823 176.117 0.071 0.000 1.113 313 I CA 0.209 61.512 61.300 0.006 0.000 1.377 313 I CB -1.094 36.901 38.000 -0.008 0.000 1.530 313 I HN 0.588 nan 8.210 nan 0.000 0.607 314 R N 1.403 122.010 120.500 0.177 0.000 2.837 314 R HA 0.473 4.814 4.340 0.002 0.000 0.271 314 R C 0.183 176.720 176.300 0.395 0.000 0.993 314 R CA -0.717 55.513 56.100 0.217 0.000 0.931 314 R CB 2.179 32.556 30.300 0.128 0.000 1.206 314 R HN 0.420 nan 8.270 nan 0.000 0.474 315 S N 0.373 116.235 115.700 0.270 0.000 2.573 315 S HA -0.071 4.400 4.470 0.002 0.000 0.277 315 S C 1.027 175.767 174.600 0.232 0.000 1.346 315 S CA -0.702 57.677 58.200 0.298 0.000 1.034 315 S CB 0.593 63.889 63.200 0.160 0.000 0.879 315 S HN 0.796 nan 8.310 nan 0.000 0.528 316 W N 2.528 123.814 121.300 -0.023 0.000 2.321 316 W HA -0.082 4.579 4.660 0.002 0.000 0.306 316 W C -1.635 174.758 176.519 -0.211 0.000 1.217 316 W CA 1.708 58.803 57.345 -0.416 0.000 1.257 316 W CB -1.632 27.541 29.460 -0.478 0.000 1.145 316 W HN 0.609 nan 8.180 nan 0.000 0.509 317 P HA -0.177 nan 4.420 nan 0.000 0.217 317 P C 1.160 178.324 177.300 -0.225 0.000 1.150 317 P CA 2.208 65.211 63.100 -0.162 0.000 0.832 317 P CB -0.301 31.374 31.700 -0.041 0.000 0.787 318 E N -1.514 118.586 120.200 -0.166 0.000 2.077 318 E HA -0.198 4.154 4.350 0.002 0.000 0.193 318 E C 1.749 178.147 176.600 -0.336 0.000 0.989 318 E CA 0.943 57.216 56.400 -0.212 0.000 0.800 318 E CB -0.623 29.010 29.700 -0.111 0.000 0.746 318 E HN 0.218 nan 8.360 nan 0.000 0.452 319 F N 1.232 120.863 119.950 -0.533 0.000 2.293 319 F HA -0.054 4.474 4.527 0.002 0.000 0.300 319 F C 1.964 177.321 175.800 -0.739 0.000 1.086 319 F CA 1.003 58.602 58.000 -0.668 0.000 1.375 319 F CB 0.150 38.577 39.000 -0.955 0.000 1.045 319 F HN -0.023 nan 8.300 nan 0.000 0.516 320 I N -3.293 116.837 120.570 -0.733 0.000 3.956 320 I HA 0.475 4.646 4.170 0.002 0.000 0.333 320 I C 1.446 177.304 176.117 -0.432 0.000 1.302 320 I CA 0.738 61.632 61.300 -0.676 0.000 1.122 320 I CB -0.094 37.453 38.000 -0.756 0.000 1.013 320 I HN 0.135 nan 8.210 nan 0.000 0.405 321 G N 1.177 109.745 108.800 -0.387 0.000 2.157 321 G HA2 -0.280 3.682 3.960 0.002 0.000 0.239 321 G HA3 -0.280 3.682 3.960 0.002 0.000 0.239 321 G C 0.693 175.493 174.900 -0.166 0.000 0.982 321 G CA 0.505 45.449 45.100 -0.260 0.000 0.650 321 G HN 0.340 nan 8.290 nan 0.000 0.527 322 T N -0.448 114.002 114.554 -0.174 0.000 2.788 322 T HA 0.203 4.555 4.350 0.002 0.000 0.268 322 T C 1.132 175.786 174.700 -0.076 0.000 1.044 322 T CA 2.171 64.208 62.100 -0.106 0.000 1.139 322 T CB 0.064 68.875 68.868 -0.096 0.000 0.867 322 T HN 0.840 nan 8.240 nan 0.000 0.454 323 T N -0.497 114.002 114.554 -0.092 0.000 2.923 323 T HA 0.390 4.742 4.350 0.002 0.000 0.311 323 T C 1.131 175.797 174.700 -0.056 0.000 1.183 323 T CA -0.131 61.934 62.100 -0.058 0.000 1.020 323 T CB 1.756 70.590 68.868 -0.057 0.000 1.165 323 T HN 0.033 nan 8.240 nan 0.000 0.482 324 S N 2.113 117.822 115.700 0.014 0.000 2.406 324 S HA 0.250 4.721 4.470 0.002 0.000 0.228 324 S C 1.827 176.496 174.600 0.115 0.000 1.020 324 S CA 1.506 59.770 58.200 0.106 0.000 0.965 324 S CB -0.540 62.788 63.200 0.214 0.000 0.798 324 S HN 2.103 nan 8.310 nan 0.000 0.488 325 G N -0.696 108.090 108.800 -0.025 0.000 2.176 325 G HA2 -0.197 3.764 3.960 0.002 0.000 0.232 325 G HA3 -0.197 3.764 3.960 0.002 0.000 0.232 325 G C -0.142 174.442 174.900 -0.527 0.000 0.986 325 G CA 0.261 45.220 45.100 -0.235 0.000 0.643 325 G HN 0.604 nan 8.290 nan 0.000 0.522 326 Y N -0.557 119.613 120.300 -0.217 0.000 2.504 326 Y HA 0.625 5.177 4.550 0.002 0.000 0.344 326 Y C 1.335 177.019 175.900 -0.360 0.000 1.023 326 Y CA -0.018 57.832 58.100 -0.417 0.000 1.020 326 Y CB 1.803 39.820 38.460 -0.738 0.000 1.282 326 Y HN -0.008 nan 8.280 nan 0.000 0.454 327 S N 0.936 116.532 115.700 -0.175 0.000 2.374 327 S HA -0.228 4.243 4.470 0.002 0.000 0.227 327 S C 1.052 175.649 174.600 -0.005 0.000 1.037 327 S CA 2.160 60.333 58.200 -0.044 0.000 1.024 327 S CB -0.300 62.950 63.200 0.083 0.000 0.861 327 S HN 0.739 nan 8.310 nan 0.000 0.456 328 Y N -0.726 119.574 120.300 0.000 0.000 2.584 328 Y HA 0.632 5.184 4.550 0.002 0.000 0.254 328 Y C -0.091 175.781 175.900 -0.047 0.000 1.177 328 Y CA -0.859 57.227 58.100 -0.024 0.000 1.216 328 Y CB -0.248 38.180 38.460 -0.054 0.000 1.172 328 Y HN -0.014 nan 8.280 nan 0.000 0.529 329 I N 1.364 121.794 120.570 -0.235 0.000 2.410 329 I HA 0.306 4.477 4.170 0.002 0.000 0.286 329 I C 0.554 176.701 176.117 0.050 0.000 1.009 329 I CA -0.612 60.632 61.300 -0.093 0.000 1.111 329 I CB 2.285 40.170 38.000 -0.193 0.000 1.262 329 I HN 0.067 nan 8.210 nan 0.000 0.443 330 K N 4.866 125.320 120.400 0.090 0.000 2.078 330 K HA 0.183 4.504 4.320 0.002 0.000 0.203 330 K C -1.517 175.168 176.600 0.140 0.000 1.043 330 K CA 0.319 56.662 56.287 0.095 0.000 0.960 330 K CB -0.450 32.095 32.500 0.075 0.000 0.761 330 K HN 0.376 nan 8.250 nan 0.000 0.448 331 P HA -0.005 nan 4.420 nan 0.000 0.266 331 P C -1.247 176.350 177.300 0.496 0.000 1.195 331 P CA 0.594 63.838 63.100 0.241 0.000 0.768 331 P CB 0.671 32.431 31.700 0.100 0.000 0.838 332 K N 1.579 122.214 120.400 0.393 0.000 2.207 332 K HA 0.754 5.075 4.320 0.002 0.000 0.255 332 K C 0.196 176.889 176.600 0.154 0.000 0.941 332 K CA -0.650 55.779 56.287 0.235 0.000 0.825 332 K CB 1.995 34.537 32.500 0.071 0.000 1.119 332 K HN 0.783 nan 8.250 nan 0.000 0.430 333 G N 1.166 109.794 108.800 -0.286 0.000 2.315 333 G HA2 0.015 3.976 3.960 0.002 0.000 0.296 333 G HA3 0.015 3.976 3.960 0.002 0.000 0.296 333 G C -1.830 172.396 174.900 -1.124 0.000 1.289 333 G CA -0.741 44.095 45.100 -0.440 0.000 0.996 333 G HN 0.500 nan 8.290 nan 0.000 0.487 334 E N -1.048 118.716 120.200 -0.727 0.000 2.367 334 E HA 0.686 5.037 4.350 0.002 0.000 0.273 334 E C 0.171 176.678 176.600 -0.156 0.000 0.903 334 E CA -0.919 55.084 56.400 -0.663 0.000 0.764 334 E CB 1.528 30.790 29.700 -0.731 0.000 1.252 334 E HN 0.646 nan 8.360 nan 0.000 0.446 335 I N 2.577 123.095 120.570 -0.086 0.000 2.742 335 I HA 0.058 4.229 4.170 0.002 0.000 0.287 335 I C 0.448 176.468 176.117 -0.162 0.000 1.186 335 I CA 0.119 61.217 61.300 -0.337 0.000 1.417 335 I CB 0.308 37.734 38.000 -0.956 0.000 1.377 335 I HN 0.541 nan 8.210 nan 0.000 0.556 336 A N 5.382 128.216 122.820 0.024 0.000 2.520 336 A HA 0.416 4.737 4.320 0.002 0.000 0.245 336 A C 1.305 178.890 177.584 0.003 0.000 1.072 336 A CA 0.538 52.611 52.037 0.059 0.000 0.761 336 A CB -0.095 19.013 19.000 0.179 0.000 1.004 336 A HN 1.233 nan 8.150 nan 0.000 0.499 337 G N 0.862 109.664 108.800 0.004 0.000 2.195 337 G HA2 0.137 4.098 3.960 0.002 0.000 0.246 337 G HA3 0.137 4.098 3.960 0.002 0.000 0.246 337 G C 0.637 175.510 174.900 -0.046 0.000 0.984 337 G CA 0.423 45.463 45.100 -0.100 0.000 0.633 337 G HN 2.184 nan 8.290 nan 0.000 0.525 338 A N 0.115 122.937 122.820 0.003 0.000 2.425 338 A HA 0.714 5.035 4.320 0.002 0.000 0.242 338 A C 0.693 178.444 177.584 0.278 0.000 1.077 338 A CA 0.352 52.466 52.037 0.128 0.000 0.781 338 A CB 0.294 19.434 19.000 0.234 0.000 1.020 338 A HN 0.531 nan 8.150 nan 0.000 0.494 339 R N 0.106 120.754 120.500 0.247 0.000 2.460 339 R HA 0.214 4.556 4.340 0.002 0.000 0.303 339 R C -1.199 175.057 176.300 -0.073 0.000 0.968 339 R CA -0.397 55.847 56.100 0.240 0.000 0.889 339 R CB 1.295 31.782 30.300 0.311 0.000 1.123 339 R HN 0.786 nan 8.270 nan 0.000 0.455 340 W N 2.927 123.538 121.300 -1.149 0.000 2.368 340 W HA 0.211 4.872 4.660 0.002 0.000 0.316 340 W C 0.547 176.653 176.519 -0.688 0.000 1.375 340 W CA -0.442 56.080 57.345 -1.372 0.000 1.261 340 W CB 0.910 28.847 29.460 -2.538 0.000 1.298 340 W HN 0.789 nan 8.180 nan 0.000 0.539 341 G N 3.798 112.316 108.800 -0.471 0.000 3.434 341 G HA2 0.182 4.143 3.960 0.002 0.000 0.258 341 G HA3 0.182 4.143 3.960 0.002 0.000 0.258 341 G C -0.437 174.422 174.900 -0.067 0.000 1.128 341 G CA -0.075 44.974 45.100 -0.086 0.000 0.792 341 G HN 0.744 nan 8.290 nan 0.000 0.539 342 H N -2.447 115.755 119.070 -1.446 0.000 3.770 342 H HA -0.027 4.531 4.556 0.002 0.000 0.267 342 H C 0.846 176.049 175.328 -0.210 0.000 0.747 342 H CA 1.167 56.446 56.048 -1.280 0.000 0.948 342 H CB -0.804 28.385 29.762 -0.954 0.000 1.026 342 H HN 0.727 nan 8.280 nan 0.000 0.629 343 A N -1.031 121.896 122.820 0.179 0.000 2.363 343 A HA 0.670 4.992 4.320 0.002 0.000 0.127 343 A C 0.588 178.313 177.584 0.235 0.000 1.514 343 A CA 0.954 53.195 52.037 0.341 0.000 2.547 343 A CB -0.143 19.012 19.000 0.259 0.000 2.626 343 A HN 1.520 nan 8.150 nan 0.000 1.136 344 G N -1.284 107.641 108.800 0.208 0.000 2.706 344 G HA2 0.547 4.508 3.960 0.002 0.000 0.307 344 G HA3 0.547 4.508 3.960 0.002 0.000 0.307 344 G C 0.793 175.797 174.900 0.173 0.000 1.307 344 G CA 1.233 46.426 45.100 0.155 0.000 0.790 344 G HN 1.369 nan 8.290 nan 0.000 0.503 345 S N -0.933 114.841 115.700 0.123 0.000 2.387 345 S HA 0.105 4.576 4.470 0.002 0.000 0.226 345 S C 0.693 175.353 174.600 0.098 0.000 1.026 345 S CA 1.927 60.180 58.200 0.089 0.000 0.972 345 S CB -0.371 62.831 63.200 0.002 0.000 0.814 345 S HN 0.933 nan 8.310 nan 0.000 0.477 346 D N 0.049 120.523 120.400 0.122 0.000 2.798 346 D HA 0.374 5.015 4.640 0.002 0.000 0.308 346 D C 0.783 177.121 176.300 0.064 0.000 1.187 346 D CA -0.093 53.956 54.000 0.082 0.000 1.033 346 D CB 0.590 41.431 40.800 0.067 0.000 1.445 346 D HN 0.081 nan 8.370 nan 0.000 0.550 347 S N -1.840 113.826 115.700 -0.057 0.000 2.507 347 S HA -0.064 4.408 4.470 0.002 0.000 0.235 347 S C 1.260 175.806 174.600 -0.091 0.000 0.988 347 S CA 1.260 59.367 58.200 -0.154 0.000 0.944 347 S CB -1.068 61.821 63.200 -0.518 0.000 0.762 347 S HN 0.692 nan 8.310 nan 0.000 0.526 348 T N -2.203 112.321 114.554 -0.050 0.000 3.085 348 T HA 0.382 4.733 4.350 0.002 0.000 0.264 348 T C -0.047 174.505 174.700 -0.248 0.000 1.019 348 T CA -0.464 61.596 62.100 -0.068 0.000 0.910 348 T CB -0.193 68.560 68.868 -0.192 0.000 1.059 348 T HN 0.495 nan 8.240 nan 0.000 0.542 349 H N 0.025 119.119 119.070 0.040 0.000 2.771 349 H HA 0.653 5.211 4.556 0.002 0.000 0.367 349 H C 0.081 175.398 175.328 -0.018 0.000 1.172 349 H CA -1.222 54.822 56.048 -0.007 0.000 1.186 349 H CB 1.480 31.245 29.762 0.004 0.000 1.790 349 H HN -0.061 nan 8.280 nan 0.000 0.556 350 M N 1.660 121.275 119.600 0.025 0.000 3.002 350 M HA 0.122 4.603 4.480 0.002 0.000 0.398 350 M C 0.338 176.454 176.300 -0.305 0.000 1.366 350 M CA -0.005 55.208 55.300 -0.146 0.000 0.824 350 M CB 0.257 32.680 32.600 -0.294 0.000 1.414 350 M HN 0.674 nan 8.290 nan 0.000 0.501 351 E N 0.815 120.958 120.200 -0.095 0.000 2.171 351 E HA -0.188 4.163 4.350 0.002 0.000 0.197 351 E C 1.063 177.568 176.600 -0.158 0.000 0.997 351 E CA 1.381 57.724 56.400 -0.094 0.000 0.810 351 E CB 0.101 29.777 29.700 -0.040 0.000 0.738 351 E HN 0.409 nan 8.360 nan 0.000 0.467 352 D N -0.846 119.450 120.400 -0.174 0.000 2.348 352 D HA -0.081 4.560 4.640 0.002 0.000 0.216 352 D C 0.526 176.421 176.300 -0.676 0.000 0.970 352 D CA 0.743 54.510 54.000 -0.388 0.000 0.889 352 D CB 0.069 40.605 40.800 -0.439 0.000 0.912 352 D HN 0.249 nan 8.370 nan 0.000 0.524 353 F N -0.552 119.235 119.950 -0.272 0.000 2.661 353 F HA 0.214 4.743 4.527 0.002 0.000 0.306 353 F C 0.602 176.344 175.800 -0.096 0.000 1.094 353 F CA -0.234 57.637 58.000 -0.215 0.000 1.254 353 F CB 0.387 39.352 39.000 -0.058 0.000 1.040 353 F HN -0.140 nan 8.300 nan 0.000 0.562 354 H N -0.866 118.170 119.070 -0.056 0.000 2.569 354 H HA 0.338 4.895 4.556 0.002 0.000 0.357 354 H C -0.446 174.727 175.328 -0.258 0.000 1.153 354 H CA -1.093 54.885 56.048 -0.117 0.000 1.193 354 H CB 1.286 31.012 29.762 -0.059 0.000 1.602 354 H HN 0.003 nan 8.280 nan 0.000 0.523 355 N N 2.129 120.674 118.700 -0.259 0.000 2.379 355 N HA 0.044 4.785 4.740 0.002 0.000 0.260 355 N C -1.739 173.423 175.510 -0.580 0.000 1.254 355 N CA -1.433 51.204 53.050 -0.689 0.000 0.958 355 N CB 0.682 38.472 38.487 -1.161 0.000 1.208 355 N HN 0.425 nan 8.380 nan 0.000 0.532 356 P HA -0.110 nan 4.420 nan 0.000 0.225 356 P C -0.150 176.973 177.300 -0.295 0.000 1.148 356 P CA 1.047 63.906 63.100 -0.402 0.000 0.779 356 P CB 0.037 31.535 31.700 -0.336 0.000 0.780 357 D N -2.288 117.884 120.400 -0.380 0.000 2.328 357 D HA 0.130 4.772 4.640 0.002 0.000 0.221 357 D C 1.415 177.627 176.300 -0.146 0.000 1.072 357 D CA 0.352 54.262 54.000 -0.151 0.000 0.850 357 D CB -0.817 39.984 40.800 0.001 0.000 0.922 357 D HN 0.172 nan 8.370 nan 0.000 0.516 358 G N 0.127 108.799 108.800 -0.213 0.000 2.175 358 G HA2 -0.274 3.687 3.960 0.002 0.000 0.244 358 G HA3 -0.274 3.687 3.960 0.002 0.000 0.244 358 G C 0.539 175.236 174.900 -0.338 0.000 0.982 358 G CA 0.500 45.426 45.100 -0.290 0.000 0.641 358 G HN 0.772 nan 8.290 nan 0.000 0.527 359 T N -1.730 112.706 114.554 -0.197 0.000 2.847 359 T HA 0.632 4.983 4.350 0.002 0.000 0.279 359 T C 0.897 175.528 174.700 -0.114 0.000 0.984 359 T CA 0.016 62.054 62.100 -0.104 0.000 0.988 359 T CB 1.457 70.320 68.868 -0.008 0.000 1.040 359 T HN 0.635 nan 8.240 nan 0.000 0.528 360 M N 2.086 121.610 119.600 -0.126 0.000 2.303 360 M HA 0.115 4.596 4.480 0.002 0.000 0.350 360 M C 0.726 176.907 176.300 -0.198 0.000 1.518 360 M CA -0.239 54.865 55.300 -0.326 0.000 1.070 360 M CB 0.248 32.459 32.600 -0.648 0.000 1.910 360 M HN 0.697 nan 8.290 nan 0.000 0.458 361 R N 3.112 123.498 120.500 -0.189 0.000 2.811 361 R HA 0.003 4.345 4.340 0.002 0.000 0.265 361 R C -0.095 176.138 176.300 -0.112 0.000 1.026 361 R CA 0.197 56.203 56.100 -0.157 0.000 1.142 361 R CB 0.534 30.710 30.300 -0.207 0.000 1.027 361 R HN 0.844 nan 8.270 nan 0.000 0.465 362 S N 1.925 117.607 115.700 -0.029 0.000 2.702 362 S HA -0.088 4.383 4.470 0.002 0.000 0.314 362 S C 1.414 176.016 174.600 0.004 0.000 1.244 362 S CA 0.328 58.564 58.200 0.060 0.000 1.058 362 S CB 0.618 63.857 63.200 0.064 0.000 0.783 362 S HN 0.663 nan 8.310 nan 0.000 0.503 363 A N 4.966 127.826 122.820 0.068 0.000 1.948 363 A HA -0.137 4.185 4.320 0.002 0.000 0.220 363 A C 1.855 179.460 177.584 0.035 0.000 1.177 363 A CA 2.039 54.093 52.037 0.029 0.000 0.636 363 A CB -0.767 18.295 19.000 0.103 0.000 0.815 363 A HN 0.888 nan 8.150 nan 0.000 0.449 364 D N 0.183 120.639 120.400 0.092 0.000 2.117 364 D HA -0.120 4.521 4.640 0.002 0.000 0.197 364 D C 1.398 177.696 176.300 -0.002 0.000 0.987 364 D CA 1.478 55.526 54.000 0.080 0.000 0.829 364 D CB -0.383 40.486 40.800 0.114 0.000 0.961 364 D HN 0.420 nan 8.370 nan 0.000 0.460 365 D N 0.172 120.542 120.400 -0.050 0.000 2.097 365 D HA -0.059 4.582 4.640 0.002 0.000 0.197 365 D C 2.337 178.459 176.300 -0.296 0.000 0.984 365 D CA 0.366 54.271 54.000 -0.159 0.000 0.826 365 D CB -0.294 40.411 40.800 -0.158 0.000 0.973 365 D HN 0.260 nan 8.370 nan 0.000 0.460 366 I N 0.948 121.292 120.570 -0.377 0.000 2.208 366 I HA -0.259 3.912 4.170 0.002 0.000 0.245 366 I C 2.279 178.069 176.117 -0.545 0.000 1.097 366 I CA 1.123 62.020 61.300 -0.672 0.000 1.363 366 I CB -0.434 37.131 38.000 -0.724 0.000 1.051 366 I HN -0.012 nan 8.210 nan 0.000 0.413 367 T N 0.804 115.253 114.554 -0.175 0.000 2.684 367 T HA -0.193 4.159 4.350 0.002 0.000 0.267 367 T C 2.062 176.855 174.700 0.156 0.000 1.036 367 T CA 1.591 63.785 62.100 0.155 0.000 1.148 367 T CB -0.353 68.675 68.868 0.266 0.000 0.863 367 T HN 0.498 nan 8.240 nan 0.000 0.436 368 A N 1.401 124.237 122.820 0.027 0.000 1.902 368 A HA -0.028 4.293 4.320 0.002 0.000 0.217 368 A C 2.323 179.913 177.584 0.010 0.000 1.181 368 A CA 1.816 53.866 52.037 0.022 0.000 0.623 368 A CB -0.721 18.252 19.000 -0.044 0.000 0.818 368 A HN 0.547 nan 8.150 nan 0.000 0.443 369 M N -1.638 117.884 119.600 -0.130 0.000 2.117 369 M HA -0.154 4.327 4.480 0.002 0.000 0.262 369 M C 1.904 178.302 176.300 0.163 0.000 1.065 369 M CA 1.737 56.930 55.300 -0.177 0.000 1.114 369 M CB -0.208 32.043 32.600 -0.582 0.000 1.361 369 M HN 0.565 nan 8.290 nan 0.000 0.408 370 W N 1.077 122.424 121.300 0.077 0.000 2.381 370 W HA -0.070 4.591 4.660 0.002 0.000 0.301 370 W C 2.494 179.181 176.519 0.281 0.000 1.205 370 W CA 1.350 58.826 57.345 0.217 0.000 1.285 370 W CB -1.136 28.492 29.460 0.279 0.000 1.133 370 W HN 0.323 nan 8.180 nan 0.000 0.521 371 K N 0.574 121.254 120.400 0.467 0.000 2.103 371 K HA -0.139 4.183 4.320 0.002 0.000 0.207 371 K C 2.035 178.786 176.600 0.251 0.000 1.048 371 K CA 1.845 58.325 56.287 0.323 0.000 0.930 371 K CB -0.312 32.327 32.500 0.232 0.000 0.716 371 K HN -0.060 nan 8.250 nan 0.000 0.444 372 A N -0.195 122.767 122.820 0.238 0.000 2.067 372 A HA -0.123 4.199 4.320 0.002 0.000 0.219 372 A C 1.138 178.813 177.584 0.152 0.000 1.158 372 A CA 0.865 52.995 52.037 0.155 0.000 0.661 372 A CB -0.623 18.456 19.000 0.131 0.000 0.801 372 A HN 0.587 nan 8.150 nan 0.000 0.452 373 W N -0.454 120.966 121.300 0.199 0.000 3.325 373 W HA 0.278 4.940 4.660 0.002 0.000 0.370 373 W C 0.735 177.359 176.519 0.175 0.000 1.169 373 W CA 0.145 57.611 57.345 0.203 0.000 1.874 373 W CB 0.142 29.744 29.460 0.238 0.000 1.076 373 W HN 0.504 nan 8.180 nan 0.000 0.684 374 N N 0.891 119.776 118.700 0.310 0.000 2.776 374 N HA -0.220 4.521 4.740 0.002 0.000 0.249 374 N C -0.899 174.753 175.510 0.237 0.000 1.111 374 N CA 0.771 53.958 53.050 0.229 0.000 0.711 374 N CB -1.588 37.006 38.487 0.179 0.000 1.065 374 N HN 0.182 nan 8.380 nan 0.000 0.556 375 I N 0.505 121.257 120.570 0.303 0.000 2.330 375 I HA 0.296 4.468 4.170 0.002 0.000 0.289 375 I C 0.233 176.589 176.117 0.398 0.000 1.001 375 I CA -0.415 61.052 61.300 0.279 0.000 1.193 375 I CB 1.267 39.382 38.000 0.192 0.000 1.345 375 I HN -0.036 nan 8.210 nan 0.000 0.461 376 K N 7.293 127.809 120.400 0.193 0.000 2.469 376 K HA 0.412 4.734 4.320 0.002 0.000 0.254 376 K C -1.983 174.241 176.600 -0.626 0.000 0.939 376 K CA -1.509 54.742 56.287 -0.060 0.000 0.812 376 K CB 2.431 34.912 32.500 -0.031 0.000 1.301 376 K HN 0.146 nan 8.250 nan 0.000 0.433 377 P HA -0.136 nan 4.420 nan 0.000 0.222 377 P C 0.088 177.036 177.300 -0.587 0.000 1.147 377 P CA 1.261 63.464 63.100 -1.496 0.000 0.790 377 P CB 0.395 31.245 31.700 -1.415 0.000 0.780 378 E N -0.504 119.486 120.200 -0.350 0.000 2.347 378 E HA -0.059 4.292 4.350 0.002 0.000 0.196 378 E C 0.908 177.439 176.600 -0.116 0.000 1.008 378 E CA 0.542 56.835 56.400 -0.177 0.000 0.852 378 E CB -0.432 29.201 29.700 -0.112 0.000 0.783 378 E HN 0.507 nan 8.360 nan 0.000 0.505 379 Q N 0.609 120.336 119.800 -0.122 0.000 2.312 379 Q HA 0.154 4.495 4.340 0.002 0.000 0.236 379 Q C -0.167 175.818 176.000 -0.025 0.000 0.965 379 Q CA -0.328 55.444 55.803 -0.052 0.000 0.894 379 Q CB 0.740 29.461 28.738 -0.029 0.000 1.225 379 Q HN 0.083 nan 8.270 nan 0.000 0.478 380 Q N 1.464 121.262 119.800 -0.004 0.000 2.286 380 Q HA 0.235 4.576 4.340 0.002 0.000 0.267 380 Q C -1.433 174.561 176.000 -0.012 0.000 1.028 380 Q CA -0.151 55.660 55.803 0.012 0.000 0.901 380 Q CB 0.552 29.301 28.738 0.018 0.000 1.183 380 Q HN 0.375 nan 8.270 nan 0.000 0.392 381 V N 3.369 123.269 119.914 -0.023 0.000 2.540 381 V HA 0.470 4.592 4.120 0.002 0.000 0.302 381 V C -0.629 175.304 176.094 -0.268 0.000 1.035 381 V CA -0.635 61.569 62.300 -0.160 0.000 0.873 381 V CB 1.911 33.651 31.823 -0.138 0.000 0.992 381 V HN 0.744 nan 8.190 nan 0.000 0.428 382 S N 4.242 119.744 115.700 -0.331 0.000 2.594 382 S HA 0.787 5.258 4.470 0.002 0.000 0.296 382 S C -1.209 173.258 174.600 -0.222 0.000 1.124 382 S CA -0.394 57.696 58.200 -0.183 0.000 1.011 382 S CB 0.665 63.881 63.200 0.026 0.000 1.016 382 S HN 0.365 nan 8.310 nan 0.000 0.485 383 F N 4.994 125.044 119.950 0.167 0.000 2.399 383 F HA 0.647 5.175 4.527 0.002 0.000 0.334 383 F C 0.228 176.167 175.800 0.233 0.000 1.097 383 F CA -0.535 57.531 58.000 0.110 0.000 1.076 383 F CB 0.977 39.992 39.000 0.026 0.000 1.162 383 F HN 0.687 nan 8.300 nan 0.000 0.495 387 T N -2.897 111.676 114.554 0.031 0.000 3.130 387 T HA 0.497 4.848 4.350 0.002 0.000 0.288 387 T C 1.565 176.376 174.700 0.184 0.000 0.936 387 T CA 1.510 63.675 62.100 0.109 0.000 0.897 387 T CB 1.024 69.945 68.868 0.088 0.000 1.178 387 T HN 2.014 nan 8.240 nan 0.000 0.543 388 G N 0.139 109.056 108.800 0.195 0.000 2.255 388 G HA2 -0.184 3.778 3.960 0.002 0.000 0.196 388 G HA3 -0.184 3.778 3.960 0.002 0.000 0.196 388 G C 0.631 175.665 174.900 0.224 0.000 0.998 388 G CA 0.044 45.257 45.100 0.188 0.000 0.656 388 G HN 0.325 nan 8.290 nan 0.000 0.490 389 W N 1.200 122.461 121.300 -0.065 0.000 2.380 389 W HA 0.203 4.864 4.660 0.003 0.000 0.317 389 W C 2.768 179.255 176.519 -0.053 0.000 1.196 389 W CA 1.862 59.115 57.345 -0.154 0.000 1.307 389 W CB -0.673 28.526 29.460 -0.436 0.000 1.157 389 W HN 0.269 nan 8.180 nan 0.000 0.483 390 R N -0.002 120.662 120.500 0.273 0.000 2.105 390 R HA -0.116 4.225 4.340 0.002 0.000 0.239 390 R C 2.275 178.588 176.300 0.021 0.000 1.135 390 R CA 1.647 57.885 56.100 0.230 0.000 0.967 390 R CB -1.036 29.400 30.300 0.225 0.000 0.861 390 R HN 0.130 nan 8.270 nan 0.000 0.442 391 A N 0.659 123.509 122.820 0.050 0.000 1.972 391 A HA -0.149 4.172 4.320 0.002 0.000 0.219 391 A C 2.157 179.721 177.584 -0.033 0.000 1.169 391 A CA 1.730 53.780 52.037 0.021 0.000 0.635 391 A CB -0.341 18.752 19.000 0.155 0.000 0.810 391 A HN 0.245 nan 8.150 nan 0.000 0.446 392 S N -0.726 114.957 115.700 -0.029 0.000 2.383 392 S HA -0.143 4.328 4.470 0.002 0.000 0.227 392 S C 1.888 176.417 174.600 -0.118 0.000 1.026 392 S CA 1.231 59.395 58.200 -0.060 0.000 0.981 392 S CB -0.229 62.894 63.200 -0.128 0.000 0.818 392 S HN 0.769 nan 8.310 nan 0.000 0.472 393 E N 1.051 121.129 120.200 -0.204 0.000 2.038 393 E HA -0.200 4.151 4.350 0.002 0.000 0.195 393 E C 2.151 178.265 176.600 -0.810 0.000 1.000 393 E CA 1.866 57.994 56.400 -0.454 0.000 0.803 393 E CB -0.235 29.280 29.700 -0.308 0.000 0.750 393 E HN 0.695 nan 8.360 nan 0.000 0.448 394 T N -1.166 112.964 114.554 -0.706 0.000 2.867 394 T HA -0.180 4.172 4.350 0.002 0.000 0.268 394 T C 1.753 176.018 174.700 -0.725 0.000 1.057 394 T CA 1.025 62.627 62.100 -0.829 0.000 1.136 394 T CB -0.668 67.585 68.868 -1.026 0.000 0.874 394 T HN 0.300 nan 8.240 nan 0.000 0.466 395 F N 2.012 121.560 119.950 -0.670 0.000 2.095 395 F HA -0.070 4.458 4.527 0.002 0.000 0.298 395 F C 2.229 177.951 175.800 -0.129 0.000 1.104 395 F CA 1.422 59.277 58.000 -0.241 0.000 1.232 395 F CB -0.359 38.630 39.000 -0.019 0.000 0.987 395 F HN -0.017 nan 8.300 nan 0.000 0.475 396 M N -0.558 118.996 119.600 -0.078 0.000 2.117 396 M HA -0.208 4.274 4.480 0.002 0.000 0.262 396 M C 2.156 178.416 176.300 -0.068 0.000 1.065 396 M CA 1.509 56.756 55.300 -0.088 0.000 1.114 396 M CB -1.576 30.988 32.600 -0.060 0.000 1.361 396 M HN 0.241 nan 8.290 nan 0.000 0.408 397 Y N 0.403 120.634 120.300 -0.115 0.000 2.145 397 Y HA -0.052 4.500 4.550 0.002 0.000 0.286 397 Y C 2.718 178.542 175.900 -0.126 0.000 1.145 397 Y CA 1.033 59.073 58.100 -0.100 0.000 1.148 397 Y CB -1.775 36.615 38.460 -0.117 0.000 0.981 397 Y HN 0.254 nan 8.280 nan 0.000 0.507 398 A N 0.223 123.025 122.820 -0.030 0.000 1.933 398 A HA -0.201 4.121 4.320 0.002 0.000 0.218 398 A C 2.439 180.008 177.584 -0.025 0.000 1.175 398 A CA 1.635 53.601 52.037 -0.119 0.000 0.628 398 A CB -0.753 18.214 19.000 -0.055 0.000 0.814 398 A HN 0.404 nan 8.150 nan 0.000 0.444 399 R N -0.244 120.150 120.500 -0.176 0.000 2.083 399 R HA -0.159 4.182 4.340 0.002 0.000 0.237 399 R C 2.234 178.555 176.300 0.035 0.000 1.137 399 R CA 1.664 57.671 56.100 -0.154 0.000 0.951 399 R CB -0.428 29.639 30.300 -0.388 0.000 0.851 399 R HN 0.429 nan 8.270 nan 0.000 0.434 400 A N 0.603 123.461 122.820 0.064 0.000 1.969 400 A HA -0.107 4.215 4.320 0.002 0.000 0.218 400 A C 2.061 179.750 177.584 0.174 0.000 1.169 400 A CA 1.327 53.446 52.037 0.137 0.000 0.635 400 A CB -0.323 18.762 19.000 0.141 0.000 0.810 400 A HN 0.386 nan 8.150 nan 0.000 0.445 401 M N -0.952 118.748 119.600 0.167 0.000 2.686 401 M HA 0.107 4.589 4.480 0.002 0.000 0.246 401 M C 1.355 177.875 176.300 0.367 0.000 1.096 401 M CA 0.893 56.334 55.300 0.234 0.000 1.076 401 M CB -0.033 32.672 32.600 0.175 0.000 1.504 401 M HN 0.616 nan 8.290 nan 0.000 0.524 402 G N -0.601 108.411 108.800 0.354 0.000 2.143 402 G HA2 -0.216 3.745 3.960 0.002 0.000 0.248 402 G HA3 -0.216 3.745 3.960 0.002 0.000 0.248 402 G C -0.568 174.569 174.900 0.395 0.000 0.991 402 G CA -0.537 44.780 45.100 0.362 0.000 0.689 402 G HN 0.464 nan 8.290 nan 0.000 0.522 403 W N 1.048 122.426 121.300 0.130 0.000 2.397 403 W HA 0.522 5.184 4.660 0.002 0.000 0.327 403 W C 1.404 177.971 176.519 0.081 0.000 1.421 403 W CA -0.101 57.318 57.345 0.122 0.000 1.288 403 W CB 0.413 29.976 29.460 0.173 0.000 1.312 403 W HN 0.178 nan 8.180 nan 0.000 0.559 404 K N 1.862 122.373 120.400 0.184 0.000 2.361 404 K HA 0.019 4.340 4.320 0.002 0.000 0.196 404 K C 0.255 176.933 176.600 0.130 0.000 1.039 404 K CA 0.672 57.038 56.287 0.132 0.000 1.001 404 K CB 0.176 32.723 32.500 0.079 0.000 0.795 404 K HN 0.289 nan 8.250 nan 0.000 0.495 405 N N 1.288 120.074 118.700 0.144 0.000 2.791 405 N HA 0.110 4.851 4.740 0.002 0.000 0.265 405 N C -1.175 174.439 175.510 0.173 0.000 1.580 405 N CA -0.091 53.039 53.050 0.135 0.000 0.809 405 N CB 1.689 40.225 38.487 0.082 0.000 1.178 405 N HN -0.104 nan 8.380 nan 0.000 0.499 406 V N -1.319 118.735 119.914 0.234 0.000 2.960 406 V HA 0.948 5.070 4.120 0.002 0.000 0.315 406 V C 0.240 176.612 176.094 0.464 0.000 1.087 406 V CA -0.785 61.691 62.300 0.292 0.000 0.982 406 V CB 1.838 33.860 31.823 0.333 0.000 1.039 406 V HN 0.395 nan 8.190 nan 0.000 0.437 407 S N 0.784 116.778 115.700 0.490 0.000 2.643 407 S HA 0.808 5.280 4.470 0.002 0.000 0.270 407 S C -1.282 173.536 174.600 0.364 0.000 1.166 407 S CA -0.709 57.740 58.200 0.415 0.000 0.815 407 S CB 1.566 64.900 63.200 0.225 0.000 1.139 407 S HN 1.204 nan 8.310 nan 0.000 0.472 408 V N 2.268 122.263 119.914 0.135 0.000 2.459 408 V HA 0.470 4.592 4.120 0.002 0.000 0.295 408 V C -1.264 174.946 176.094 0.193 0.000 1.029 408 V CA -0.654 61.742 62.300 0.161 0.000 0.874 408 V CB 1.415 33.228 31.823 -0.016 0.000 0.985 408 V HN 0.879 nan 8.190 nan 0.000 0.438 409 Y N 3.851 124.233 120.300 0.137 0.000 2.595 409 Y HA 0.272 4.823 4.550 0.002 0.000 0.347 409 Y C 1.164 177.142 175.900 0.130 0.000 1.025 409 Y CA -1.038 57.127 58.100 0.109 0.000 1.295 409 Y CB 0.336 38.854 38.460 0.097 0.000 1.147 409 Y HN 0.802 nan 8.280 nan 0.000 0.515 410 D N 3.690 124.055 120.400 -0.060 0.000 2.116 410 D HA -0.188 4.453 4.640 0.002 0.000 0.193 410 D C 2.130 178.251 176.300 -0.298 0.000 0.998 410 D CA 2.054 55.971 54.000 -0.138 0.000 0.836 410 D CB -0.200 40.557 40.800 -0.071 0.000 0.951 410 D HN 0.865 nan 8.370 nan 0.000 0.449 411 G N -0.717 107.741 108.800 -0.571 0.000 2.422 411 G HA2 0.116 4.078 3.960 0.002 0.000 0.218 411 G HA3 0.116 4.078 3.960 0.002 0.000 0.218 411 G C 1.063 175.717 174.900 -0.411 0.000 1.140 411 G CA 1.072 45.939 45.100 -0.388 0.000 0.775 411 G HN 0.720 nan 8.290 nan 0.000 0.545 412 G N -0.503 107.729 108.800 -0.946 0.000 2.578 412 G HA2 -0.379 3.583 3.960 0.002 0.000 0.284 412 G HA3 -0.379 3.583 3.960 0.002 0.000 0.284 412 G C 0.973 175.979 174.900 0.178 0.000 1.283 412 G CA 0.429 45.425 45.100 -0.174 0.000 0.944 412 G HN 0.513 nan 8.290 nan 0.000 0.558 413 W N -0.856 120.558 121.300 0.191 0.000 2.402 413 W HA -0.080 4.582 4.660 0.002 0.000 0.286 413 W C 2.153 178.817 176.519 0.240 0.000 1.221 413 W CA 2.004 59.478 57.345 0.215 0.000 1.257 413 W CB -0.239 29.348 29.460 0.212 0.000 1.120 413 W HN 0.564 nan 8.180 nan 0.000 0.551 414 Y N 1.908 122.182 120.300 -0.042 0.000 2.097 414 Y HA -0.284 4.267 4.550 0.002 0.000 0.282 414 Y C 2.600 178.415 175.900 -0.141 0.000 1.152 414 Y CA 2.452 60.460 58.100 -0.153 0.000 1.136 414 Y CB -1.070 37.354 38.460 -0.060 0.000 0.975 414 Y HN 0.131 nan 8.280 nan 0.000 0.498 415 E N -0.777 119.387 120.200 -0.060 0.000 2.028 415 E HA -0.243 4.108 4.350 0.002 0.000 0.190 415 E C 2.406 178.983 176.600 -0.038 0.000 0.984 415 E CA 1.086 57.414 56.400 -0.119 0.000 0.800 415 E CB -0.812 28.873 29.700 -0.024 0.000 0.758 415 E HN 0.633 nan 8.360 nan 0.000 0.448 416 W N 1.799 123.035 121.300 -0.107 0.000 2.304 416 W HA -0.248 4.414 4.660 0.002 0.000 0.315 416 W C 2.339 178.672 176.519 -0.311 0.000 1.233 416 W CA 2.443 59.715 57.345 -0.122 0.000 1.261 416 W CB -0.383 29.062 29.460 -0.025 0.000 1.150 416 W HN 0.241 nan 8.180 nan 0.000 0.494 417 S N -0.333 115.148 115.700 -0.365 0.000 2.527 417 S HA -0.126 4.345 4.470 0.002 0.000 0.222 417 S C 1.853 176.223 174.600 -0.383 0.000 0.985 417 S CA 1.011 58.836 58.200 -0.625 0.000 0.921 417 S CB -0.646 61.652 63.200 -1.504 0.000 0.772 417 S HN 0.261 nan 8.310 nan 0.000 0.529 418 S N 0.838 116.352 115.700 -0.311 0.000 2.447 418 S HA -0.060 4.412 4.470 0.002 0.000 0.233 418 S C 0.465 174.936 174.600 -0.214 0.000 1.006 418 S CA 0.724 58.782 58.200 -0.237 0.000 0.957 418 S CB -0.578 62.460 63.200 -0.271 0.000 0.773 418 S HN 0.535 nan 8.310 nan 0.000 0.507 419 D N 2.433 122.677 120.400 -0.261 0.000 2.427 419 D HA 0.341 4.982 4.640 0.002 0.000 0.226 419 D C -1.673 174.482 176.300 -0.241 0.000 1.076 419 D CA -2.598 51.256 54.000 -0.245 0.000 0.849 419 D CB 1.833 42.464 40.800 -0.281 0.000 1.052 419 D HN 0.026 nan 8.370 nan 0.000 0.515 420 P HA -0.128 nan 4.420 nan 0.000 0.225 420 P C 0.842 178.075 177.300 -0.112 0.000 1.148 420 P CA 0.728 63.759 63.100 -0.115 0.000 0.779 420 P CB 0.486 32.140 31.700 -0.076 0.000 0.780 421 K N -0.211 120.103 120.400 -0.144 0.000 2.211 421 K HA -0.038 4.284 4.320 0.002 0.000 0.203 421 K C 0.812 177.312 176.600 -0.167 0.000 1.050 421 K CA 0.371 56.577 56.287 -0.134 0.000 0.945 421 K CB -0.465 31.955 32.500 -0.133 0.000 0.732 421 K HN 0.324 nan 8.250 nan 0.000 0.451 422 N N 2.617 121.136 118.700 -0.302 0.000 2.454 422 N HA 0.013 4.754 4.740 0.002 0.000 0.260 422 N C -2.562 172.926 175.510 -0.036 0.000 1.218 422 N CA -1.088 51.706 53.050 -0.426 0.000 0.904 422 N CB 0.574 38.343 38.487 -1.196 0.000 1.065 422 N HN 0.012 nan 8.380 nan 0.000 0.462 423 P HA 0.116 nan 4.420 nan 0.000 0.275 423 P C -0.913 176.651 177.300 0.440 0.000 1.228 423 P CA -0.138 63.121 63.100 0.266 0.000 0.786 423 P CB 1.025 32.870 31.700 0.241 0.000 0.927 424 V N 1.701 121.793 119.914 0.297 0.000 2.638 424 V HA 0.631 4.752 4.120 0.002 0.000 0.306 424 V C 0.119 176.296 176.094 0.138 0.000 1.052 424 V CA -0.817 61.667 62.300 0.307 0.000 0.885 424 V CB 1.741 33.772 31.823 0.346 0.000 0.999 424 V HN 0.790 nan 8.190 nan 0.000 0.424 425 A N 3.156 125.997 122.820 0.035 0.000 2.306 425 A HA 0.934 5.256 4.320 0.002 0.000 0.330 425 A C -0.146 177.322 177.584 -0.194 0.000 1.146 425 A CA -0.436 51.550 52.037 -0.084 0.000 0.827 425 A CB 1.744 20.654 19.000 -0.150 0.000 1.178 425 A HN 0.734 nan 8.150 nan 0.000 0.490 426 T N -0.562 113.882 114.554 -0.183 0.000 2.868 426 T HA 0.696 5.047 4.350 0.002 0.000 0.306 426 T C -0.145 174.435 174.700 -0.200 0.000 1.224 426 T CA 0.769 62.745 62.100 -0.208 0.000 1.012 426 T CB 1.462 70.266 68.868 -0.106 0.000 1.221 426 T HN 2.563 nan 8.240 nan 0.000 0.499 427 G N 2.290 110.955 108.800 -0.224 0.000 2.733 427 G HA2 -0.083 3.878 3.960 0.002 0.000 0.686 427 G HA3 -0.083 3.878 3.960 0.002 0.000 0.686 427 G C -0.735 174.076 174.900 -0.148 0.000 1.373 427 G CA -0.814 44.193 45.100 -0.155 0.000 0.838 427 G HN 0.761 nan 8.290 nan 0.000 0.588 428 E N 1.200 121.379 120.200 -0.034 0.000 2.608 428 E HA 0.201 4.552 4.350 0.002 0.000 0.259 428 E C 1.139 177.853 176.600 0.190 0.000 0.951 428 E CA 1.054 57.550 56.400 0.161 0.000 0.945 428 E CB 0.483 30.331 29.700 0.246 0.000 0.916 428 E HN 0.903 nan 8.360 nan 0.000 0.477 429 R N 0.144 120.863 120.500 0.364 0.000 2.712 429 R HA 0.645 4.987 4.340 0.002 0.000 0.272 429 R C -0.560 176.031 176.300 0.485 0.000 1.032 429 R CA -0.797 55.507 56.100 0.340 0.000 0.874 429 R CB 0.798 31.249 30.300 0.252 0.000 1.256 429 R HN 0.444 nan 8.270 nan 0.000 0.468 430 G N 0.252 109.171 108.800 0.199 0.000 2.820 430 G HA2 0.541 4.502 3.960 0.002 0.000 0.291 430 G HA3 0.541 4.502 3.960 0.002 0.000 0.291 430 G C -2.060 172.551 174.900 -0.482 0.000 1.323 430 G CA -1.719 43.281 45.100 -0.167 0.000 1.055 430 G HN 0.343 nan 8.290 nan 0.000 0.520 431 P HA -0.085 nan 4.420 nan 0.000 0.216 431 P C 0.987 178.224 177.300 -0.105 0.000 1.150 431 P CA 1.075 63.800 63.100 -0.626 0.000 0.843 431 P CB 0.227 31.616 31.700 -0.518 0.000 0.787 432 D N -0.696 119.650 120.400 -0.090 0.000 2.221 432 D HA -0.111 4.531 4.640 0.002 0.000 0.204 432 D C 1.771 178.115 176.300 0.075 0.000 0.982 432 D CA 1.468 55.474 54.000 0.009 0.000 0.857 432 D CB -0.582 40.218 40.800 -0.001 0.000 0.934 432 D HN 0.276 nan 8.370 nan 0.000 0.475 433 S N -1.230 114.534 115.700 0.106 0.000 2.607 433 S HA 0.077 4.548 4.470 0.002 0.000 0.224 433 S C 1.407 176.135 174.600 0.214 0.000 0.969 433 S CA 0.000 58.293 58.200 0.155 0.000 0.927 433 S CB 0.278 63.578 63.200 0.167 0.000 0.772 433 S HN -0.111 nan 8.310 nan 0.000 0.533 434 S N 1.186 117.028 115.700 0.238 0.000 2.663 434 S HA 0.231 4.703 4.470 0.002 0.000 0.243 434 S C 0.445 175.164 174.600 0.199 0.000 1.009 434 S CA -0.813 57.539 58.200 0.253 0.000 0.988 434 S CB 0.194 63.632 63.200 0.397 0.000 0.896 434 S HN 0.773 nan 8.310 nan 0.000 0.502 435 K N 0.000 120.515 120.400 0.192 0.000 2.780 435 K HA 0.000 4.321 4.320 0.002 0.000 0.191 435 K CA 0.000 56.395 56.287 0.180 0.000 0.838 435 K CB 0.000 32.574 32.500 0.124 0.000 1.064 435 K HN 0.000 nan 8.250 nan 0.000 0.543