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 3o5b_1_A DATA FIRST_RESID 7 DATA SEQUENCE KKPPARKGSM ADVPANLMEQ IHGLETLFTV SSEKMRSIVK HFISELDKGL DATA SEQUENCE SKKGGNIPMI PGWVVEYPTG KETGDFLALD LGGTNLRVVL VKLGGNHDFD DATA SEQUENCE TTQNKYRLPD HLRTGTSEQL WSFIAKCLKE FVDEWYPDGV SEPLPLGFTF DATA SEQUENCE SYPASQKKIN SGVLQRWTKG FDIEGVEGHD VVPMLQEQIE KLNIPINVVA DATA SEQUENCE LINDTTGTLV ASLYTDPQTK MGIIIGTGVN GAYYDVVSGI EKLEGLLPED DATA SEQUENCE IGPDSPMAIN CEYGSFDNEH LVLPRTKYDV IIDEESPRPG QQAFEKMTSG DATA SEQUENCE YYLGEIMRLV LLDLYDSGFI FKDQDISKLK EAYVMDTSYP SKIEDDPFEN DATA SEQUENCE LEDTDDLFKT NLNIETTVVE RKLIRKLAEL VGTRAARLTV CGVSAICDKR DATA SEQUENCE GYKTAHIAAD GSVFNRYPGY KEKAAQALKD IYNWDVEKME DHPIQLVAAE DATA SEQUENCE DGSGVGAAII ACLTQKRLAA GKSVGIKGE 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.582 176.600 -0.031 0.000 0.988 7 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 7 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 8 K N 1.630 122.008 120.400 -0.037 0.000 2.295 8 K HA 0.439 4.640 4.320 -0.198 0.000 0.270 8 K C -1.685 174.880 176.600 -0.059 0.000 1.011 8 K CA -0.915 55.343 56.287 -0.049 0.000 0.953 8 K CB -0.277 32.192 32.500 -0.051 0.000 0.956 8 K HN 0.210 nan 8.250 nan 0.000 0.477 9 P HA 0.201 nan 4.420 nan 0.000 0.272 9 P C -2.270 174.978 177.300 -0.087 0.000 1.230 9 P CA -1.061 61.981 63.100 -0.097 0.000 0.788 9 P CB -0.354 31.251 31.700 -0.158 0.000 0.949 10 P HA 0.165 nan 4.420 nan 0.000 0.272 10 P C -0.408 176.846 177.300 -0.076 0.000 1.230 10 P CA -0.321 62.742 63.100 -0.062 0.000 0.788 10 P CB 0.261 31.933 31.700 -0.047 0.000 0.949 11 A N 2.820 125.606 122.820 -0.057 0.000 2.531 11 A HA 0.105 4.306 4.320 -0.198 0.000 0.236 11 A C 1.025 178.573 177.584 -0.060 0.000 1.062 11 A CA -0.261 51.741 52.037 -0.058 0.000 0.760 11 A CB -0.281 18.698 19.000 -0.034 0.000 0.995 11 A HN 0.678 nan 8.150 nan 0.000 0.501 12 R N 1.988 122.446 120.500 -0.070 0.000 2.861 12 R HA 0.101 4.322 4.340 -0.198 0.000 0.268 12 R C 0.094 176.379 176.300 -0.025 0.000 1.027 12 R CA -0.157 55.911 56.100 -0.053 0.000 1.163 12 R CB 0.351 30.622 30.300 -0.048 0.000 1.060 12 R HN 0.594 nan 8.270 nan 0.000 0.483 13 K N 0.833 121.226 120.400 -0.012 0.000 2.031 13 K HA 0.007 4.208 4.320 -0.198 0.000 0.205 13 K C 1.008 177.608 176.600 0.000 0.000 1.049 13 K CA 1.376 57.661 56.287 -0.003 0.000 0.939 13 K CB -0.718 31.783 32.500 0.002 0.000 0.717 13 K HN 1.002 nan 8.250 nan 0.000 0.438 14 G N 2.482 111.284 108.800 0.003 0.000 2.326 14 G HA2 -0.251 3.590 3.960 -0.198 0.000 0.286 14 G HA3 -0.251 3.590 3.960 -0.198 0.000 0.286 14 G C 0.042 174.944 174.900 0.003 0.000 1.096 14 G CA 0.563 45.664 45.100 0.003 0.000 1.003 14 G HN 0.338 nan 8.290 nan 0.000 0.503 15 S N -0.473 115.231 115.700 0.005 0.000 2.549 15 S HA 0.441 4.792 4.470 -0.198 0.000 0.286 15 S C 1.574 176.173 174.600 -0.001 0.000 1.314 15 S CA 0.184 58.388 58.200 0.005 0.000 1.062 15 S CB 0.301 63.505 63.200 0.007 0.000 0.865 15 S HN 0.314 nan 8.310 nan 0.000 0.498 16 M N 4.322 123.921 119.600 -0.003 0.000 2.333 16 M HA 0.234 4.595 4.480 -0.198 0.000 0.257 16 M C 2.038 178.332 176.300 -0.010 0.000 1.078 16 M CA 0.311 55.602 55.300 -0.015 0.000 1.005 16 M CB -1.372 31.214 32.600 -0.023 0.000 1.444 16 M HN 0.846 nan 8.290 nan 0.000 0.496 17 A N 1.659 124.479 122.820 0.000 0.000 1.958 17 A HA -0.206 3.995 4.320 -0.198 0.000 0.221 17 A C 1.630 179.214 177.584 0.000 0.000 1.178 17 A CA 2.398 54.438 52.037 0.004 0.000 0.642 17 A CB -0.692 18.312 19.000 0.007 0.000 0.816 17 A HN 0.603 nan 8.150 nan 0.000 0.453 18 D N -0.936 119.462 120.400 -0.003 0.000 2.349 18 D HA 0.115 4.636 4.640 -0.198 0.000 0.214 18 D C 0.152 176.447 176.300 -0.009 0.000 1.063 18 D CA -0.017 53.981 54.000 -0.003 0.000 0.847 18 D CB -0.612 40.188 40.800 -0.001 0.000 0.933 18 D HN 0.155 nan 8.370 nan 0.000 0.513 19 V N 2.193 122.096 119.914 -0.020 0.000 2.508 19 V HA 0.192 4.193 4.120 -0.198 0.000 0.281 19 V C -1.889 174.189 176.094 -0.026 0.000 1.041 19 V CA -1.222 61.059 62.300 -0.032 0.000 1.016 19 V CB 0.701 32.489 31.823 -0.058 0.000 0.984 19 V HN 0.009 nan 8.190 nan 0.000 0.478 20 P HA 0.090 nan 4.420 nan 0.000 0.266 20 P C 0.718 178.011 177.300 -0.012 0.000 1.195 20 P CA 0.173 63.270 63.100 -0.006 0.000 0.768 20 P CB 0.694 32.397 31.700 0.006 0.000 0.838 21 A N 4.199 127.021 122.820 0.002 0.000 1.917 21 A HA -0.268 3.933 4.320 -0.198 0.000 0.219 21 A C 1.986 179.570 177.584 0.001 0.000 1.182 21 A CA 2.102 54.142 52.037 0.005 0.000 0.633 21 A CB -1.354 17.658 19.000 0.020 0.000 0.819 21 A HN 0.765 nan 8.150 nan 0.000 0.448 22 N N 0.444 119.161 118.700 0.028 0.000 2.137 22 N HA -0.176 4.445 4.740 -0.198 0.000 0.190 22 N C 1.652 177.145 175.510 -0.029 0.000 1.017 22 N CA 2.015 55.107 53.050 0.070 0.000 0.859 22 N CB -0.582 38.000 38.487 0.157 0.000 1.002 22 N HN 0.535 nan 8.380 nan 0.000 0.428 23 L N -0.806 120.385 121.223 -0.054 0.000 2.202 23 L HA 0.086 4.307 4.340 -0.198 0.000 0.205 23 L C 2.561 179.318 176.870 -0.188 0.000 1.083 23 L CA 0.429 55.185 54.840 -0.141 0.000 0.790 23 L CB -0.218 41.787 42.059 -0.090 0.000 0.942 23 L HN 0.111 nan 8.230 nan 0.000 0.452 24 M N 0.403 119.911 119.600 -0.152 0.000 2.159 24 M HA -0.238 4.123 4.480 -0.198 0.000 0.263 24 M C 2.041 178.189 176.300 -0.253 0.000 1.063 24 M CA 1.719 56.880 55.300 -0.231 0.000 1.110 24 M CB -0.277 32.231 32.600 -0.154 0.000 1.374 24 M HN 0.171 nan 8.290 nan 0.000 0.411 25 E N -0.974 119.157 120.200 -0.115 0.000 2.110 25 E HA -0.235 3.996 4.350 -0.198 0.000 0.193 25 E C 1.873 178.401 176.600 -0.120 0.000 0.988 25 E CA 1.248 57.619 56.400 -0.049 0.000 0.804 25 E CB 0.038 29.718 29.700 -0.034 0.000 0.745 25 E HN 0.500 nan 8.360 nan 0.000 0.458 26 Q N 0.200 119.845 119.800 -0.257 0.000 2.083 26 Q HA -0.103 4.118 4.340 -0.198 0.000 0.198 26 Q C 2.408 178.299 176.000 -0.182 0.000 0.969 26 Q CA 1.041 56.659 55.803 -0.308 0.000 0.838 26 Q CB -0.241 28.162 28.738 -0.559 0.000 0.900 26 Q HN 0.423 nan 8.270 nan 0.000 0.436 27 I N 0.135 120.581 120.570 -0.207 0.000 2.208 27 I HA -0.316 3.735 4.170 -0.198 0.000 0.245 27 I C 2.133 178.201 176.117 -0.081 0.000 1.097 27 I CA 1.436 62.633 61.300 -0.171 0.000 1.363 27 I CB -0.319 37.532 38.000 -0.249 0.000 1.051 27 I HN 0.303 nan 8.210 nan 0.000 0.413 28 H N -0.356 118.691 119.070 -0.039 0.000 2.353 28 H HA -0.106 4.331 4.556 -0.199 0.000 0.300 28 H C 2.397 177.724 175.328 -0.002 0.000 1.090 28 H CA 0.887 56.925 56.048 -0.016 0.000 1.327 28 H CB -0.357 29.392 29.762 -0.021 0.000 1.383 28 H HN 0.403 nan 8.280 nan 0.000 0.508 29 G N 0.696 109.553 108.800 0.094 0.000 2.476 29 G HA2 -0.247 3.594 3.960 -0.198 0.000 0.218 29 G HA3 -0.247 3.594 3.960 -0.198 0.000 0.218 29 G C 1.568 176.528 174.900 0.100 0.000 1.164 29 G CA 0.988 46.125 45.100 0.061 0.000 0.768 29 G HN 0.242 nan 8.290 nan 0.000 0.560 30 L N -0.146 121.148 121.223 0.119 0.000 2.156 30 L HA 0.068 4.289 4.340 -0.198 0.000 0.208 30 L C 2.663 179.710 176.870 0.294 0.000 1.095 30 L CA 1.162 56.153 54.840 0.252 0.000 0.770 30 L CB -0.356 41.809 42.059 0.177 0.000 0.914 30 L HN 0.301 nan 8.230 nan 0.000 0.439 31 E N 0.148 120.454 120.200 0.178 0.000 2.038 31 E HA -0.224 4.007 4.350 -0.198 0.000 0.195 31 E C 2.015 178.705 176.600 0.150 0.000 1.000 31 E CA 2.108 58.609 56.400 0.168 0.000 0.803 31 E CB 0.044 29.834 29.700 0.149 0.000 0.750 31 E HN 0.327 nan 8.360 nan 0.000 0.448 32 T N 1.094 115.712 114.554 0.107 0.000 2.759 32 T HA -0.175 4.056 4.350 -0.198 0.000 0.269 32 T C 1.659 176.376 174.700 0.028 0.000 1.042 32 T CA 1.043 63.176 62.100 0.055 0.000 1.140 32 T CB -0.219 68.668 68.868 0.032 0.000 0.864 32 T HN 0.071 nan 8.240 nan 0.000 0.455 33 L N -0.174 121.066 121.223 0.027 0.000 2.093 33 L HA 0.191 4.412 4.340 -0.198 0.000 0.208 33 L C 1.441 178.160 176.870 -0.253 0.000 1.085 33 L CA 1.594 56.361 54.840 -0.123 0.000 0.755 33 L CB -0.554 41.420 42.059 -0.143 0.000 0.904 33 L HN 0.233 nan 8.230 nan 0.000 0.435 34 F N -1.730 118.250 119.950 0.050 0.000 2.721 34 F HA 0.185 4.592 4.527 -0.199 0.000 0.301 34 F C 1.102 176.927 175.800 0.040 0.000 1.096 34 F CA -0.278 57.751 58.000 0.048 0.000 1.308 34 F CB -0.351 38.676 39.000 0.045 0.000 1.086 34 F HN -0.243 nan 8.300 nan 0.000 0.587 35 T N 1.949 116.599 114.554 0.158 0.000 2.888 35 T HA 0.282 4.513 4.350 -0.198 0.000 0.301 35 T C 0.005 174.745 174.700 0.067 0.000 1.001 35 T CA 0.042 62.205 62.100 0.104 0.000 1.147 35 T CB 1.194 70.106 68.868 0.073 0.000 0.931 35 T HN -0.277 nan 8.240 nan 0.000 0.541 36 V N 4.475 124.428 119.914 0.065 0.000 2.334 36 V HA 0.333 4.334 4.120 -0.198 0.000 0.281 36 V C 0.676 176.786 176.094 0.027 0.000 1.016 36 V CA -0.989 61.339 62.300 0.047 0.000 0.832 36 V CB 1.003 32.864 31.823 0.064 0.000 0.999 36 V HN 1.092 nan 8.190 nan 0.000 0.439 37 S N 3.634 119.341 115.700 0.012 0.000 2.600 37 S HA 0.169 4.520 4.470 -0.198 0.000 0.265 37 S C 1.357 175.946 174.600 -0.018 0.000 1.325 37 S CA 0.104 58.302 58.200 -0.003 0.000 1.002 37 S CB 1.146 64.340 63.200 -0.010 0.000 0.921 37 S HN 0.600 nan 8.310 nan 0.000 0.554 38 S N 1.480 117.159 115.700 -0.035 0.000 2.370 38 S HA -0.136 4.215 4.470 -0.198 0.000 0.226 38 S C 1.753 176.313 174.600 -0.067 0.000 1.033 38 S CA 1.788 59.949 58.200 -0.065 0.000 1.011 38 S CB -0.685 62.467 63.200 -0.080 0.000 0.852 38 S HN 0.855 nan 8.310 nan 0.000 0.457 39 E N 1.492 121.662 120.200 -0.050 0.000 2.110 39 E HA -0.120 4.111 4.350 -0.198 0.000 0.193 39 E C 1.954 178.533 176.600 -0.034 0.000 0.988 39 E CA 1.086 57.458 56.400 -0.047 0.000 0.804 39 E CB -0.162 29.515 29.700 -0.037 0.000 0.745 39 E HN 0.493 nan 8.360 nan 0.000 0.458 40 K N 0.598 120.986 120.400 -0.020 0.000 2.025 40 K HA -0.064 4.137 4.320 -0.198 0.000 0.207 40 K C 2.024 178.630 176.600 0.010 0.000 1.049 40 K CA 1.292 57.577 56.287 -0.003 0.000 0.933 40 K CB -0.062 32.441 32.500 0.006 0.000 0.714 40 K HN 0.033 nan 8.250 nan 0.000 0.438 41 M N 0.279 119.879 119.600 0.000 0.000 2.080 41 M HA -0.194 4.167 4.480 -0.198 0.000 0.260 41 M C 2.308 178.591 176.300 -0.028 0.000 1.068 41 M CA 1.795 57.096 55.300 0.002 0.000 1.109 41 M CB -0.320 32.266 32.600 -0.024 0.000 1.342 41 M HN 0.142 nan 8.290 nan 0.000 0.405 42 R N -0.711 119.747 120.500 -0.070 0.000 2.115 42 R HA -0.094 4.127 4.340 -0.198 0.000 0.230 42 R C 2.534 178.807 176.300 -0.046 0.000 1.111 42 R CA 1.516 57.556 56.100 -0.100 0.000 0.976 42 R CB -0.363 29.858 30.300 -0.131 0.000 0.870 42 R HN 0.328 nan 8.270 nan 0.000 0.445 43 S N 0.933 116.624 115.700 -0.015 0.000 2.355 43 S HA -0.078 4.273 4.470 -0.198 0.000 0.222 43 S C 1.967 176.611 174.600 0.073 0.000 1.031 43 S CA 0.844 59.053 58.200 0.015 0.000 0.993 43 S CB -0.085 63.117 63.200 0.003 0.000 0.859 43 S HN 0.186 nan 8.310 nan 0.000 0.453 44 I N 1.226 121.855 120.570 0.099 0.000 2.151 44 I HA -0.184 3.867 4.170 -0.198 0.000 0.243 44 I C 2.313 178.556 176.117 0.210 0.000 1.080 44 I CA 1.193 62.617 61.300 0.206 0.000 1.339 44 I CB -0.454 37.678 38.000 0.220 0.000 1.039 44 I HN 0.209 nan 8.210 nan 0.000 0.409 45 V N 0.643 120.610 119.914 0.088 0.000 2.343 45 V HA -0.314 3.687 4.120 -0.198 0.000 0.247 45 V C 2.459 178.566 176.094 0.021 0.000 1.051 45 V CA 1.884 64.189 62.300 0.007 0.000 1.036 45 V CB -0.620 31.151 31.823 -0.087 0.000 0.654 45 V HN 0.379 nan 8.190 nan 0.000 0.451 46 K N -0.856 119.565 120.400 0.036 0.000 2.032 46 K HA -0.262 3.939 4.320 -0.198 0.000 0.209 46 K C 2.258 178.928 176.600 0.116 0.000 1.048 46 K CA 2.045 58.359 56.287 0.046 0.000 0.927 46 K CB -0.311 32.210 32.500 0.034 0.000 0.712 46 K HN 0.535 nan 8.250 nan 0.000 0.441 47 H N -0.325 118.791 119.070 0.076 0.000 2.389 47 H HA -0.065 4.373 4.556 -0.197 0.000 0.299 47 H C 1.677 177.097 175.328 0.153 0.000 1.081 47 H CA 1.518 57.639 56.048 0.123 0.000 1.345 47 H CB -0.275 29.588 29.762 0.169 0.000 1.393 47 H HN 0.189 nan 8.280 nan 0.000 0.520 48 F N 0.012 119.855 119.950 -0.178 0.000 2.134 48 F HA -0.176 4.235 4.527 -0.193 0.000 0.299 48 F C 2.240 177.778 175.800 -0.437 0.000 1.097 48 F CA 1.092 58.666 58.000 -0.709 0.000 1.264 48 F CB -0.076 38.355 39.000 -0.947 0.000 1.001 48 F HN 0.142 nan 8.300 nan 0.000 0.479 49 I N -0.589 119.966 120.570 -0.024 0.000 2.163 49 I HA -0.366 3.685 4.170 -0.198 0.000 0.243 49 I C 2.369 178.457 176.117 -0.048 0.000 1.085 49 I CA 1.533 62.793 61.300 -0.068 0.000 1.347 49 I CB -0.681 37.274 38.000 -0.076 0.000 1.044 49 I HN 0.046 nan 8.210 nan 0.000 0.408 50 S N 0.291 115.965 115.700 -0.044 0.000 2.383 50 S HA -0.179 4.172 4.470 -0.198 0.000 0.229 50 S C 1.836 176.396 174.600 -0.067 0.000 1.030 50 S CA 1.246 59.422 58.200 -0.041 0.000 1.002 50 S CB -0.257 62.936 63.200 -0.010 0.000 0.829 50 S HN 0.446 nan 8.310 nan 0.000 0.467 51 E N 1.039 121.164 120.200 -0.126 0.000 2.216 51 E HA 0.080 4.311 4.350 -0.198 0.000 0.192 51 E C 2.085 178.680 176.600 -0.008 0.000 0.988 51 E CA 0.324 56.669 56.400 -0.092 0.000 0.834 51 E CB -0.297 29.329 29.700 -0.124 0.000 0.772 51 E HN 0.479 nan 8.360 nan 0.000 0.479 52 L N 1.188 122.421 121.223 0.017 0.000 2.046 52 L HA -0.188 4.033 4.340 -0.198 0.000 0.208 52 L C 2.081 178.972 176.870 0.035 0.000 1.077 52 L CA 1.124 55.995 54.840 0.051 0.000 0.747 52 L CB -0.365 41.699 42.059 0.009 0.000 0.896 52 L HN -0.020 nan 8.230 nan 0.000 0.432 53 D N 0.190 120.594 120.400 0.006 0.000 2.117 53 D HA -0.164 4.357 4.640 -0.198 0.000 0.197 53 D C 2.197 178.502 176.300 0.009 0.000 0.987 53 D CA 1.086 55.091 54.000 0.009 0.000 0.829 53 D CB -0.030 40.768 40.800 -0.003 0.000 0.961 53 D HN 0.207 nan 8.370 nan 0.000 0.460 54 K N 0.220 120.621 120.400 0.002 0.000 2.103 54 K HA -0.108 4.093 4.320 -0.198 0.000 0.207 54 K C 2.100 178.705 176.600 0.010 0.000 1.048 54 K CA 1.246 57.535 56.287 0.003 0.000 0.930 54 K CB -0.306 32.191 32.500 -0.005 0.000 0.716 54 K HN 0.113 nan 8.250 nan 0.000 0.444 55 G N 0.841 109.653 108.800 0.019 0.000 2.422 55 G HA2 -0.194 3.647 3.960 -0.198 0.000 0.218 55 G HA3 -0.194 3.647 3.960 -0.198 0.000 0.218 55 G C 1.341 176.252 174.900 0.017 0.000 1.140 55 G CA 0.414 45.529 45.100 0.026 0.000 0.775 55 G HN 0.154 nan 8.290 nan 0.000 0.545 56 L N 1.543 122.777 121.223 0.018 0.000 2.492 56 L HA 0.143 4.364 4.340 -0.198 0.000 0.223 56 L C 1.732 178.601 176.870 -0.001 0.000 1.132 56 L CA 0.047 54.889 54.840 0.004 0.000 0.850 56 L CB -0.182 41.885 42.059 0.014 0.000 0.966 56 L HN 0.264 nan 8.230 nan 0.000 0.454 57 S N -1.038 114.664 115.700 0.004 0.000 2.632 57 S HA 0.139 4.490 4.470 -0.198 0.000 0.267 57 S C 1.042 175.645 174.600 0.004 0.000 1.276 57 S CA -0.695 57.507 58.200 0.004 0.000 0.998 57 S CB 1.346 64.549 63.200 0.005 0.000 0.953 57 S HN 0.070 nan 8.310 nan 0.000 0.547 58 K N 1.001 121.404 120.400 0.005 0.000 2.074 58 K HA -0.149 4.052 4.320 -0.198 0.000 0.209 58 K C 1.996 178.600 176.600 0.007 0.000 1.048 58 K CA 1.754 58.045 56.287 0.007 0.000 0.926 58 K CB -0.247 32.257 32.500 0.008 0.000 0.713 58 K HN 0.604 nan 8.250 nan 0.000 0.444 59 K N 0.091 120.495 120.400 0.006 0.000 2.283 59 K HA -0.019 4.182 4.320 -0.198 0.000 0.202 59 K C 0.967 177.571 176.600 0.005 0.000 1.048 59 K CA 0.515 56.805 56.287 0.005 0.000 0.948 59 K CB -0.102 32.400 32.500 0.005 0.000 0.742 59 K HN 0.337 nan 8.250 nan 0.000 0.458 60 G N 0.454 109.258 108.800 0.006 0.000 2.894 60 G HA2 -0.124 3.717 3.960 -0.198 0.000 0.247 60 G HA3 -0.124 3.717 3.960 -0.198 0.000 0.247 60 G C -0.000 174.903 174.900 0.006 0.000 1.442 60 G CA -0.507 44.597 45.100 0.007 0.000 0.897 60 G HN 0.509 nan 8.290 nan 0.000 0.550 61 G N -1.763 107.042 108.800 0.009 0.000 2.782 61 G HA2 0.552 4.393 3.960 -0.198 0.000 0.304 61 G HA3 0.552 4.393 3.960 -0.198 0.000 0.304 61 G C 0.517 175.422 174.900 0.009 0.000 1.315 61 G CA 0.567 45.670 45.100 0.006 0.000 0.791 61 G HN 0.884 nan 8.290 nan 0.000 0.519 62 N N -1.118 117.584 118.700 0.003 0.000 2.289 62 N HA 0.011 4.632 4.740 -0.198 0.000 0.184 62 N C 0.796 176.328 175.510 0.037 0.000 1.016 62 N CA 0.676 53.729 53.050 0.006 0.000 0.872 62 N CB -0.117 38.358 38.487 -0.021 0.000 0.973 62 N HN 0.378 nan 8.380 nan 0.000 0.433 63 I N 0.806 121.408 120.570 0.054 0.000 2.304 63 I HA 0.159 4.210 4.170 -0.198 0.000 0.291 63 I C -1.572 174.588 176.117 0.071 0.000 1.018 63 I CA -1.822 59.534 61.300 0.093 0.000 1.260 63 I CB 1.696 39.773 38.000 0.128 0.000 1.390 63 I HN -0.116 nan 8.210 nan 0.000 0.475 64 P HA -0.125 nan 4.420 nan 0.000 0.215 64 P C 0.518 177.831 177.300 0.022 0.000 1.153 64 P CA 1.078 64.199 63.100 0.036 0.000 0.853 64 P CB 0.069 31.786 31.700 0.028 0.000 0.788 65 M N -2.126 117.494 119.600 0.035 0.000 2.460 65 M HA -0.186 4.175 4.480 -0.198 0.000 0.182 65 M C -0.559 175.709 176.300 -0.054 0.000 0.903 65 M CA 0.780 56.088 55.300 0.014 0.000 0.555 65 M CB -2.635 29.988 32.600 0.039 0.000 1.106 65 M HN 0.047 nan 8.290 nan 0.000 0.867 66 I N 2.259 122.783 120.570 -0.077 0.000 2.352 66 I HA 0.202 4.253 4.170 -0.198 0.000 0.290 66 I C -1.610 174.380 176.117 -0.212 0.000 1.036 66 I CA -1.750 59.485 61.300 -0.109 0.000 1.336 66 I CB 0.960 38.917 38.000 -0.072 0.000 1.407 66 I HN 0.110 nan 8.210 nan 0.000 0.497 67 P HA 0.013 nan 4.420 nan 0.000 0.267 67 P C 0.781 177.747 177.300 -0.556 0.000 1.205 67 P CA 0.184 62.947 63.100 -0.562 0.000 0.765 67 P CB 0.768 31.933 31.700 -0.892 0.000 0.828 68 G N 1.896 110.422 108.800 -0.457 0.000 3.042 68 G HA2 -0.048 3.793 3.960 -0.198 0.000 0.212 68 G HA3 -0.048 3.793 3.960 -0.198 0.000 0.212 68 G C -0.140 174.701 174.900 -0.098 0.000 1.166 68 G CA -0.326 44.627 45.100 -0.245 0.000 0.767 68 G HN 0.629 nan 8.290 nan 0.000 0.546 69 W N -1.229 120.018 121.300 -0.089 0.000 4.551 69 W HA -0.201 4.341 4.660 -0.196 0.000 0.343 69 W C -0.242 176.239 176.519 -0.063 0.000 1.269 69 W CA -0.326 56.979 57.345 -0.066 0.000 0.799 69 W CB -2.130 27.298 29.460 -0.053 0.000 2.352 69 W HN 0.031 nan 8.180 nan 0.000 1.462 70 V N 1.543 121.473 119.914 0.027 0.000 2.350 70 V HA 0.337 4.338 4.120 -0.198 0.000 0.276 70 V C 0.777 176.896 176.094 0.042 0.000 1.028 70 V CA -0.032 62.287 62.300 0.031 0.000 0.860 70 V CB 1.280 33.086 31.823 -0.029 0.000 0.990 70 V HN 0.042 nan 8.190 nan 0.000 0.453 71 V N 1.685 121.629 119.914 0.051 0.000 3.159 71 V HA 0.505 4.506 4.120 -0.198 0.000 0.333 71 V C 0.178 176.225 176.094 -0.079 0.000 1.424 71 V CA -0.050 62.253 62.300 0.005 0.000 1.125 71 V CB -0.410 31.439 31.823 0.043 0.000 1.075 71 V HN 0.910 nan 8.190 nan 0.000 0.482 72 E N -0.426 119.720 120.200 -0.090 0.000 2.433 72 E HA 0.499 4.730 4.350 -0.198 0.000 0.278 72 E C -1.861 174.559 176.600 -0.300 0.000 0.976 72 E CA -1.089 55.167 56.400 -0.241 0.000 0.793 72 E CB 1.428 31.076 29.700 -0.086 0.000 1.311 72 E HN 0.173 nan 8.360 nan 0.000 0.460 73 Y N 0.947 121.129 120.300 -0.195 0.000 2.304 73 Y HA 0.293 4.818 4.550 -0.041 0.000 0.328 73 Y C -1.830 174.049 175.900 -0.035 0.000 1.123 73 Y CA -2.296 55.659 58.100 -0.243 0.000 1.218 73 Y CB 0.327 38.593 38.460 -0.323 0.000 1.207 73 Y HN 0.287 nan 8.280 nan 0.000 0.495 74 P HA 0.010 nan 4.420 nan 0.000 0.268 74 P C 0.452 177.847 177.300 0.158 0.000 1.204 74 P CA -0.044 63.175 63.100 0.199 0.000 0.768 74 P CB 1.202 33.081 31.700 0.297 0.000 0.842 75 T N -1.965 112.650 114.554 0.101 0.000 3.060 75 T HA 0.258 4.490 4.350 -0.198 0.000 0.249 75 T C 1.372 175.993 174.700 -0.132 0.000 1.079 75 T CA 0.627 62.742 62.100 0.026 0.000 1.013 75 T CB -0.650 68.224 68.868 0.010 0.000 0.975 75 T HN 0.639 nan 8.240 nan 0.000 0.518 76 G N 1.827 110.473 108.800 -0.256 0.000 2.179 76 G HA2 -0.269 3.572 3.960 -0.198 0.000 0.260 76 G HA3 -0.269 3.572 3.960 -0.198 0.000 0.260 76 G C 0.930 175.476 174.900 -0.589 0.000 0.977 76 G CA 0.404 44.921 45.100 -0.972 0.000 0.641 76 G HN 0.494 nan 8.290 nan 0.000 0.533 77 K N 0.508 120.792 120.400 -0.192 0.000 2.361 77 K HA 0.265 4.466 4.320 -0.198 0.000 0.194 77 K C 0.874 177.512 176.600 0.064 0.000 1.032 77 K CA 0.128 56.373 56.287 -0.071 0.000 1.048 77 K CB 0.195 32.669 32.500 -0.043 0.000 0.842 77 K HN 0.567 nan 8.250 nan 0.000 0.526 78 E N 1.514 121.807 120.200 0.155 0.000 2.442 78 E HA 0.021 4.252 4.350 -0.198 0.000 0.262 78 E C 0.258 176.983 176.600 0.207 0.000 1.004 78 E CA 0.465 56.968 56.400 0.171 0.000 0.928 78 E CB 0.422 30.212 29.700 0.151 0.000 0.937 78 E HN 0.241 nan 8.360 nan 0.000 0.446 79 T N -0.660 114.013 114.554 0.198 0.000 2.865 79 T HA 0.855 5.086 4.350 -0.198 0.000 0.294 79 T C 0.232 175.111 174.700 0.298 0.000 1.119 79 T CA -0.481 61.747 62.100 0.212 0.000 1.007 79 T CB 2.008 70.964 68.868 0.147 0.000 1.225 79 T HN 0.827 nan 8.240 nan 0.000 0.515 80 G N 0.588 109.522 108.800 0.224 0.000 2.371 80 G HA2 0.284 4.125 3.960 -0.198 0.000 0.663 80 G HA3 0.284 4.125 3.960 -0.198 0.000 0.663 80 G C -2.236 172.610 174.900 -0.089 0.000 1.311 80 G CA -0.825 44.320 45.100 0.074 0.000 0.985 80 G HN 0.887 nan 8.290 nan 0.000 0.566 81 D N 0.102 120.194 120.400 -0.512 0.000 2.256 81 D HA 0.719 5.240 4.640 -0.198 0.000 0.240 81 D C -0.616 175.132 176.300 -0.920 0.000 1.062 81 D CA 0.258 54.013 54.000 -0.409 0.000 0.832 81 D CB 1.233 41.967 40.800 -0.111 0.000 1.135 81 D HN 0.270 nan 8.370 nan 0.000 0.484 82 F N 0.542 120.520 119.950 0.048 0.000 2.588 82 F HA 0.465 4.875 4.527 -0.194 0.000 0.310 82 F C -0.067 175.747 175.800 0.024 0.000 1.082 82 F CA -0.931 57.078 58.000 0.016 0.000 0.929 82 F CB 1.545 40.532 39.000 -0.022 0.000 1.254 82 F HN -0.016 nan 8.300 nan 0.000 0.455 83 L N 1.925 123.249 121.223 0.169 0.000 2.334 83 L HA 0.910 5.132 4.340 -0.198 0.000 0.272 83 L C -0.408 176.501 176.870 0.064 0.000 1.020 83 L CA -0.893 53.997 54.840 0.083 0.000 0.812 83 L CB 1.853 43.943 42.059 0.052 0.000 1.264 83 L HN 0.790 nan 8.230 nan 0.000 0.439 84 A N 2.412 125.234 122.820 0.003 0.000 2.401 84 A HA 0.794 4.995 4.320 -0.198 0.000 0.310 84 A C -1.602 175.983 177.584 0.001 0.000 1.075 84 A CA -0.456 51.593 52.037 0.020 0.000 0.746 84 A CB 1.829 20.836 19.000 0.011 0.000 1.277 84 A HN 0.513 nan 8.150 nan 0.000 0.425 85 L N 1.331 122.599 121.223 0.076 0.000 2.356 85 L HA 0.721 4.942 4.340 -0.198 0.000 0.277 85 L C -1.341 175.675 176.870 0.244 0.000 0.996 85 L CA -0.184 54.707 54.840 0.084 0.000 0.822 85 L CB 1.902 43.931 42.059 -0.050 0.000 1.256 85 L HN 0.641 nan 8.230 nan 0.000 0.413 86 D N 4.628 125.150 120.400 0.203 0.000 2.440 86 D HA 0.280 4.801 4.640 -0.198 0.000 0.239 86 D C -1.433 175.033 176.300 0.276 0.000 1.084 86 D CA -0.232 53.907 54.000 0.231 0.000 0.843 86 D CB 1.344 42.222 40.800 0.131 0.000 1.097 86 D HN 0.529 nan 8.370 nan 0.000 0.531 87 L N 4.646 126.106 121.223 0.395 0.000 2.259 87 L HA 0.689 4.910 4.340 -0.198 0.000 0.288 87 L C 0.460 177.479 176.870 0.249 0.000 1.051 87 L CA -0.107 54.970 54.840 0.395 0.000 0.824 87 L CB 0.983 43.431 42.059 0.650 0.000 1.206 87 L HN 0.416 nan 8.230 nan 0.000 0.429 88 G N 2.573 111.489 108.800 0.192 0.000 2.531 88 G HA2 0.415 4.256 3.960 -0.198 0.000 0.281 88 G HA3 0.415 4.256 3.960 -0.198 0.000 0.281 88 G C 0.640 175.653 174.900 0.189 0.000 1.382 88 G CA -0.169 44.999 45.100 0.113 0.000 1.045 88 G HN 0.753 nan 8.290 nan 0.000 0.533 89 G N -2.083 106.825 108.800 0.180 0.000 2.683 89 G HA2 0.206 4.047 3.960 -0.198 0.000 0.213 89 G HA3 0.206 4.047 3.960 -0.198 0.000 0.213 89 G C 1.256 176.320 174.900 0.273 0.000 1.142 89 G CA 1.754 47.067 45.100 0.355 0.000 0.793 89 G HN 0.960 nan 8.290 nan 0.000 0.534 90 T N -3.671 110.986 114.554 0.171 0.000 2.993 90 T HA 0.270 4.501 4.350 -0.198 0.000 0.260 90 T C 0.307 175.082 174.700 0.125 0.000 0.939 90 T CA -0.306 61.858 62.100 0.106 0.000 0.886 90 T CB 0.491 69.399 68.868 0.066 0.000 1.209 90 T HN 0.173 nan 8.240 nan 0.000 0.518 91 N N 0.666 119.464 118.700 0.164 0.000 2.396 91 N HA 0.667 5.288 4.740 -0.198 0.000 0.275 91 N C -1.943 173.705 175.510 0.229 0.000 1.218 91 N CA -1.103 52.061 53.050 0.189 0.000 0.812 91 N CB 2.497 41.068 38.487 0.139 0.000 1.592 91 N HN 0.290 nan 8.380 nan 0.000 0.480 92 L N -1.988 119.404 121.223 0.281 0.000 2.333 92 L HA 0.751 4.973 4.340 -0.198 0.000 0.263 92 L C -0.832 176.186 176.870 0.247 0.000 1.014 92 L CA -0.641 54.361 54.840 0.271 0.000 0.820 92 L CB 1.838 44.082 42.059 0.309 0.000 1.352 92 L HN 0.405 nan 8.230 nan 0.000 0.421 93 R N 1.003 121.611 120.500 0.180 0.000 2.621 93 R HA 0.837 5.058 4.340 -0.198 0.000 0.292 93 R C -1.636 174.701 176.300 0.062 0.000 0.969 93 R CA -0.912 55.256 56.100 0.113 0.000 0.887 93 R CB 2.583 32.922 30.300 0.065 0.000 1.180 93 R HN 0.634 nan 8.270 nan 0.000 0.450 94 V N 3.763 123.667 119.914 -0.016 0.000 2.459 94 V HA 0.481 4.482 4.120 -0.198 0.000 0.295 94 V C -0.448 175.367 176.094 -0.466 0.000 1.029 94 V CA -0.713 61.432 62.300 -0.259 0.000 0.874 94 V CB 1.929 33.525 31.823 -0.380 0.000 0.985 94 V HN 0.427 nan 8.190 nan 0.000 0.438 95 V N 5.675 125.351 119.914 -0.398 0.000 2.577 95 V HA 0.478 4.479 4.120 -0.198 0.000 0.303 95 V C -0.693 175.290 176.094 -0.185 0.000 1.042 95 V CA -0.631 61.512 62.300 -0.263 0.000 0.872 95 V CB 1.931 33.693 31.823 -0.102 0.000 0.998 95 V HN 0.693 nan 8.190 nan 0.000 0.423 96 L N 6.322 127.529 121.223 -0.027 0.000 2.272 96 L HA 0.741 4.962 4.340 -0.198 0.000 0.289 96 L C -0.606 176.315 176.870 0.085 0.000 1.032 96 L CA 0.156 55.074 54.840 0.130 0.000 0.810 96 L CB 1.499 43.761 42.059 0.338 0.000 1.205 96 L HN 0.471 nan 8.230 nan 0.000 0.422 97 V N 5.344 125.316 119.914 0.096 0.000 2.448 97 V HA 0.469 4.470 4.120 -0.198 0.000 0.295 97 V C -0.353 175.830 176.094 0.148 0.000 1.025 97 V CA -0.790 61.572 62.300 0.102 0.000 0.859 97 V CB 1.595 33.430 31.823 0.021 0.000 0.988 97 V HN 0.664 nan 8.190 nan 0.000 0.431 98 K N 5.764 126.260 120.400 0.160 0.000 2.316 98 K HA 0.595 4.796 4.320 -0.198 0.000 0.267 98 K C -1.024 175.703 176.600 0.211 0.000 1.025 98 K CA -0.480 55.901 56.287 0.158 0.000 0.896 98 K CB 1.681 34.249 32.500 0.113 0.000 1.124 98 K HN 0.524 nan 8.250 nan 0.000 0.451 99 L N 2.061 123.418 121.223 0.222 0.000 2.313 99 L HA 0.165 4.386 4.340 -0.198 0.000 0.282 99 L C 1.447 178.463 176.870 0.244 0.000 1.092 99 L CA -0.144 54.836 54.840 0.233 0.000 0.831 99 L CB 0.815 42.965 42.059 0.152 0.000 1.159 99 L HN 0.923 nan 8.230 nan 0.000 0.442 100 G N 1.228 110.190 108.800 0.270 0.000 2.985 100 G HA2 0.229 4.070 3.960 -0.198 0.000 0.209 100 G HA3 0.229 4.070 3.960 -0.198 0.000 0.209 100 G C 1.142 176.137 174.900 0.158 0.000 1.165 100 G CA 0.402 45.611 45.100 0.180 0.000 0.776 100 G HN 0.991 nan 8.290 nan 0.000 0.541 101 G N 0.008 108.936 108.800 0.215 0.000 2.155 101 G HA2 -0.315 3.526 3.960 -0.198 0.000 0.257 101 G HA3 -0.315 3.526 3.960 -0.198 0.000 0.257 101 G C 0.416 175.304 174.900 -0.020 0.000 0.983 101 G CA 0.530 45.694 45.100 0.106 0.000 0.676 101 G HN 0.667 nan 8.290 nan 0.000 0.528 102 N N 0.190 118.877 118.700 -0.022 0.000 2.642 102 N HA 0.283 4.904 4.740 -0.198 0.000 0.308 102 N C 0.740 176.207 175.510 -0.073 0.000 1.914 102 N CA -0.280 52.724 53.050 -0.078 0.000 0.893 102 N CB -0.289 38.211 38.487 0.021 0.000 1.322 102 N HN 0.355 nan 8.380 nan 0.000 0.490 103 H N -0.733 118.165 119.070 -0.287 0.000 2.899 103 H HA -0.173 4.259 4.556 -0.206 0.000 0.282 103 H C -0.972 174.311 175.328 -0.076 0.000 1.198 103 H CA 1.571 57.309 56.048 -0.517 0.000 1.140 103 H CB -1.526 28.067 29.762 -0.283 0.000 1.317 103 H HN 0.683 nan 8.280 nan 0.000 0.375 104 D N -0.302 120.266 120.400 0.280 0.000 2.581 104 D HA 0.638 5.159 4.640 -0.198 0.000 0.232 104 D C 0.133 176.708 176.300 0.460 0.000 1.143 104 D CA -0.839 53.327 54.000 0.277 0.000 0.881 104 D CB 1.691 42.541 40.800 0.084 0.000 1.500 104 D HN 0.076 nan 8.370 nan 0.000 0.458 105 F N -2.020 118.056 119.950 0.211 0.000 2.713 105 F HA 0.623 5.029 4.527 -0.202 0.000 0.311 105 F C -2.024 173.827 175.800 0.084 0.000 1.141 105 F CA -1.008 57.074 58.000 0.138 0.000 0.939 105 F CB 1.735 40.794 39.000 0.097 0.000 1.325 105 F HN 0.293 nan 8.300 nan 0.000 0.453 106 D N 0.793 121.384 120.400 0.318 0.000 2.738 106 D HA 0.557 5.078 4.640 -0.198 0.000 0.237 106 D C -1.524 174.928 176.300 0.252 0.000 1.123 106 D CA -0.152 53.954 54.000 0.176 0.000 0.856 106 D CB 2.782 43.628 40.800 0.076 0.000 1.552 106 D HN 0.918 nan 8.370 nan 0.000 0.480 107 T N -0.396 114.265 114.554 0.178 0.000 2.893 107 T HA 0.679 4.910 4.350 -0.198 0.000 0.291 107 T C -0.541 174.156 174.700 -0.004 0.000 1.028 107 T CA -0.652 61.518 62.100 0.117 0.000 0.995 107 T CB 1.702 70.663 68.868 0.154 0.000 1.051 107 T HN 0.226 nan 8.240 nan 0.000 0.470 108 T N 2.960 117.479 114.554 -0.058 0.000 2.879 108 T HA 0.630 4.861 4.350 -0.198 0.000 0.290 108 T C -0.920 173.784 174.700 0.006 0.000 0.993 108 T CA -0.859 61.124 62.100 -0.194 0.000 0.975 108 T CB 1.443 69.968 68.868 -0.572 0.000 0.981 108 T HN 0.883 nan 8.240 nan 0.000 0.439 109 Q N 2.381 122.210 119.800 0.047 0.000 2.416 109 Q HA 0.689 4.910 4.340 -0.198 0.000 0.281 109 Q C -1.557 174.545 176.000 0.170 0.000 1.067 109 Q CA -1.188 54.672 55.803 0.095 0.000 0.809 109 Q CB 1.758 30.500 28.738 0.007 0.000 1.418 109 Q HN 0.294 nan 8.270 nan 0.000 0.411 110 N N 0.752 119.541 118.700 0.147 0.000 2.381 110 N HA 0.522 5.143 4.740 -0.198 0.000 0.294 110 N C -1.666 173.789 175.510 -0.092 0.000 1.216 110 N CA -0.764 52.317 53.050 0.053 0.000 0.803 110 N CB 2.190 40.769 38.487 0.153 0.000 1.372 110 N HN 0.600 nan 8.380 nan 0.000 0.500 111 K N 0.918 121.166 120.400 -0.253 0.000 2.426 111 K HA 0.475 4.676 4.320 -0.198 0.000 0.251 111 K C -1.693 174.695 176.600 -0.355 0.000 0.941 111 K CA -0.497 55.698 56.287 -0.153 0.000 0.808 111 K CB 1.107 33.588 32.500 -0.032 0.000 1.265 111 K HN 0.491 nan 8.250 nan 0.000 0.432 112 Y N 1.391 121.773 120.300 0.137 0.000 2.373 112 Y HA 0.375 4.806 4.550 -0.199 0.000 0.336 112 Y C 0.048 176.082 175.900 0.224 0.000 0.979 112 Y CA -1.066 57.145 58.100 0.186 0.000 1.080 112 Y CB 1.734 40.308 38.460 0.191 0.000 1.190 112 Y HN 0.365 nan 8.280 nan 0.000 0.446 113 R N 3.275 123.970 120.500 0.325 0.000 2.389 113 R HA 0.261 4.482 4.340 -0.198 0.000 0.295 113 R C -0.863 175.572 176.300 0.224 0.000 1.075 113 R CA -0.283 55.950 56.100 0.221 0.000 1.005 113 R CB 0.590 30.976 30.300 0.143 0.000 0.987 113 R HN 0.684 nan 8.270 nan 0.000 0.452 114 L N 6.974 128.263 121.223 0.109 0.000 2.313 114 L HA 0.278 4.499 4.340 -0.198 0.000 0.282 114 L C -1.861 174.894 176.870 -0.192 0.000 1.092 114 L CA -1.652 53.132 54.840 -0.093 0.000 0.831 114 L CB 1.160 43.217 42.059 -0.004 0.000 1.159 114 L HN 0.311 nan 8.230 nan 0.000 0.442 115 P HA 0.030 nan 4.420 nan 0.000 0.266 115 P C 0.417 177.598 177.300 -0.198 0.000 1.195 115 P CA -0.173 62.786 63.100 -0.234 0.000 0.768 115 P CB 0.804 32.334 31.700 -0.284 0.000 0.838 116 D N 0.894 121.217 120.400 -0.129 0.000 2.133 116 D HA -0.220 4.301 4.640 -0.198 0.000 0.195 116 D C 1.620 177.806 176.300 -0.190 0.000 0.997 116 D CA 1.634 55.544 54.000 -0.150 0.000 0.840 116 D CB -0.583 40.156 40.800 -0.100 0.000 0.947 116 D HN 0.612 nan 8.370 nan 0.000 0.452 117 H N 0.604 119.550 119.070 -0.208 0.000 2.330 117 H HA -0.160 4.277 4.556 -0.198 0.000 0.290 117 H C 2.179 177.341 175.328 -0.277 0.000 1.111 117 H CA 1.603 57.525 56.048 -0.210 0.000 1.226 117 H CB -0.395 29.267 29.762 -0.167 0.000 1.355 117 H HN 0.116 nan 8.280 nan 0.000 0.485 118 L N -0.200 120.853 121.223 -0.283 0.000 2.201 118 L HA -0.126 4.095 4.340 -0.198 0.000 0.212 118 L C 2.542 179.065 176.870 -0.578 0.000 1.105 118 L CA 0.957 55.589 54.840 -0.346 0.000 0.775 118 L CB -0.333 41.533 42.059 -0.322 0.000 0.913 118 L HN 0.332 nan 8.230 nan 0.000 0.440 119 R N -0.217 119.814 120.500 -0.781 0.000 2.193 119 R HA -0.108 4.113 4.340 -0.198 0.000 0.229 119 R C 1.667 177.439 176.300 -0.879 0.000 1.110 119 R CA 1.771 57.093 56.100 -1.296 0.000 0.988 119 R CB -0.458 29.186 30.300 -1.094 0.000 0.871 119 R HN 0.466 nan 8.270 nan 0.000 0.458 120 T N -3.625 110.556 114.554 -0.622 0.000 3.170 120 T HA 0.259 4.490 4.350 -0.198 0.000 0.288 120 T C 0.754 175.197 174.700 -0.429 0.000 0.992 120 T CA -0.124 61.697 62.100 -0.466 0.000 0.909 120 T CB 0.916 69.570 68.868 -0.357 0.000 1.133 120 T HN 0.159 nan 8.240 nan 0.000 0.530 121 G N 1.798 110.310 108.800 -0.480 0.000 2.714 121 G HA2 0.520 4.361 3.960 -0.198 0.000 0.197 121 G HA3 0.520 4.361 3.960 -0.198 0.000 0.197 121 G C 0.183 175.005 174.900 -0.131 0.000 1.449 121 G CA 0.038 44.931 45.100 -0.346 0.000 1.065 121 G HN 0.601 nan 8.290 nan 0.000 0.575 122 T N -3.019 111.525 114.554 -0.018 0.000 2.902 122 T HA 0.381 4.612 4.350 -0.198 0.000 0.280 122 T C 1.508 176.241 174.700 0.055 0.000 0.992 122 T CA 0.551 62.676 62.100 0.041 0.000 1.015 122 T CB 1.486 70.399 68.868 0.075 0.000 1.044 122 T HN 0.418 nan 8.240 nan 0.000 0.520 123 S N -0.278 115.505 115.700 0.138 0.000 2.348 123 S HA -0.171 4.180 4.470 -0.198 0.000 0.221 123 S C 1.865 176.622 174.600 0.260 0.000 1.033 123 S CA 1.730 60.073 58.200 0.238 0.000 1.010 123 S CB -0.771 62.651 63.200 0.370 0.000 0.891 123 S HN 0.893 nan 8.310 nan 0.000 0.442 124 E N 0.154 120.497 120.200 0.238 0.000 2.118 124 E HA -0.248 3.983 4.350 -0.198 0.000 0.195 124 E C 2.117 178.819 176.600 0.169 0.000 0.992 124 E CA 1.396 57.935 56.400 0.232 0.000 0.804 124 E CB -0.246 29.544 29.700 0.151 0.000 0.741 124 E HN 0.669 nan 8.360 nan 0.000 0.458 125 Q N 0.501 120.365 119.800 0.107 0.000 2.084 125 Q HA -0.135 4.086 4.340 -0.198 0.000 0.202 125 Q C 2.398 178.432 176.000 0.056 0.000 0.978 125 Q CA 1.318 57.172 55.803 0.085 0.000 0.844 125 Q CB -0.133 28.654 28.738 0.081 0.000 0.898 125 Q HN 0.376 nan 8.270 nan 0.000 0.426 126 L N -0.585 120.595 121.223 -0.071 0.000 1.994 126 L HA -0.190 4.031 4.340 -0.198 0.000 0.208 126 L C 1.718 178.499 176.870 -0.149 0.000 1.071 126 L CA 1.725 56.436 54.840 -0.216 0.000 0.745 126 L CB -0.250 41.484 42.059 -0.542 0.000 0.892 126 L HN 0.424 nan 8.230 nan 0.000 0.431 127 W N -0.117 121.278 121.300 0.159 0.000 2.436 127 W HA -0.124 4.417 4.660 -0.199 0.000 0.284 127 W C 2.836 179.400 176.519 0.075 0.000 1.225 127 W CA 0.815 58.223 57.345 0.105 0.000 1.271 127 W CB -0.457 29.044 29.460 0.068 0.000 1.114 127 W HN 0.251 nan 8.180 nan 0.000 0.559 128 S N -0.066 115.788 115.700 0.257 0.000 2.402 128 S HA -0.235 4.116 4.470 -0.198 0.000 0.229 128 S C 1.623 176.304 174.600 0.135 0.000 1.021 128 S CA 0.999 59.296 58.200 0.162 0.000 0.974 128 S CB -1.132 62.144 63.200 0.127 0.000 0.800 128 S HN 0.303 nan 8.310 nan 0.000 0.484 129 F N 2.599 122.561 119.950 0.020 0.000 2.134 129 F HA 0.052 4.460 4.527 -0.199 0.000 0.299 129 F C 1.900 177.677 175.800 -0.039 0.000 1.097 129 F CA 0.996 58.986 58.000 -0.016 0.000 1.264 129 F CB -0.356 38.634 39.000 -0.016 0.000 1.001 129 F HN 0.095 nan 8.300 nan 0.000 0.479 130 I N 0.254 120.886 120.570 0.103 0.000 2.179 130 I HA -0.314 3.737 4.170 -0.198 0.000 0.242 130 I C 2.706 178.750 176.117 -0.122 0.000 1.088 130 I CA 1.246 62.537 61.300 -0.015 0.000 1.357 130 I CB -1.013 37.061 38.000 0.124 0.000 1.051 130 I HN 0.234 nan 8.210 nan 0.000 0.409 131 A N 0.621 123.420 122.820 -0.035 0.000 1.902 131 A HA -0.223 3.978 4.320 -0.198 0.000 0.217 131 A C 2.342 179.860 177.584 -0.109 0.000 1.181 131 A CA 1.619 53.627 52.037 -0.047 0.000 0.623 131 A CB -0.450 18.555 19.000 0.010 0.000 0.818 131 A HN 0.305 nan 8.150 nan 0.000 0.443 132 K N -0.800 119.500 120.400 -0.166 0.000 2.097 132 K HA -0.138 4.063 4.320 -0.198 0.000 0.206 132 K C 2.071 178.483 176.600 -0.313 0.000 1.049 132 K CA 1.413 57.578 56.287 -0.205 0.000 0.933 132 K CB -0.419 31.963 32.500 -0.197 0.000 0.717 132 K HN 0.607 nan 8.250 nan 0.000 0.442 133 C N 0.850 119.821 119.300 -0.548 0.000 2.429 133 C HA -0.083 4.258 4.460 -0.198 0.000 0.277 133 C C 2.499 177.334 174.990 -0.260 0.000 1.262 133 C CA 0.515 59.094 59.018 -0.732 0.000 1.733 133 C CB -0.854 26.183 27.740 -1.171 0.000 2.010 133 C HN 0.423 nan 8.230 nan 0.000 0.483 134 L N 0.988 122.121 121.223 -0.151 0.000 2.017 134 L HA -0.199 4.022 4.340 -0.198 0.000 0.208 134 L C 2.670 179.599 176.870 0.098 0.000 1.073 134 L CA 1.860 56.709 54.840 0.016 0.000 0.745 134 L CB -0.711 41.336 42.059 -0.019 0.000 0.894 134 L HN 0.401 nan 8.230 nan 0.000 0.432 135 K N 0.494 120.905 120.400 0.019 0.000 2.026 135 K HA -0.217 3.984 4.320 -0.198 0.000 0.208 135 K C 1.942 178.582 176.600 0.067 0.000 1.048 135 K CA 1.605 57.914 56.287 0.038 0.000 0.929 135 K CB -0.028 32.469 32.500 -0.005 0.000 0.713 135 K HN 0.300 nan 8.250 nan 0.000 0.439 136 E N -0.394 119.835 120.200 0.049 0.000 2.077 136 E HA -0.207 4.024 4.350 -0.198 0.000 0.193 136 E C 1.846 178.548 176.600 0.170 0.000 0.989 136 E CA 1.331 57.782 56.400 0.085 0.000 0.800 136 E CB -0.182 29.575 29.700 0.095 0.000 0.746 136 E HN 0.337 nan 8.360 nan 0.000 0.452 137 F N 0.938 120.982 119.950 0.158 0.000 2.084 137 F HA -0.212 4.196 4.527 -0.198 0.000 0.296 137 F C 2.185 178.168 175.800 0.306 0.000 1.111 137 F CA 1.141 59.314 58.000 0.288 0.000 1.224 137 F CB -0.217 38.961 39.000 0.296 0.000 0.991 137 F HN -0.212 nan 8.300 nan 0.000 0.471 138 V N 0.480 120.621 119.914 0.379 0.000 2.343 138 V HA -0.292 3.709 4.120 -0.198 0.000 0.247 138 V C 1.990 178.192 176.094 0.180 0.000 1.051 138 V CA 2.162 64.666 62.300 0.341 0.000 1.036 138 V CB -0.738 31.247 31.823 0.269 0.000 0.654 138 V HN 0.294 nan 8.190 nan 0.000 0.451 139 D N -0.303 120.143 120.400 0.077 0.000 2.149 139 D HA -0.206 4.315 4.640 -0.198 0.000 0.198 139 D C 2.170 178.394 176.300 -0.126 0.000 0.990 139 D CA 1.583 55.580 54.000 -0.005 0.000 0.839 139 D CB -0.097 40.693 40.800 -0.018 0.000 0.948 139 D HN 0.625 nan 8.370 nan 0.000 0.460 140 E N -0.901 119.140 120.200 -0.264 0.000 2.072 140 E HA -0.121 4.110 4.350 -0.198 0.000 0.190 140 E C 1.530 177.620 176.600 -0.849 0.000 0.982 140 E CA 0.636 56.671 56.400 -0.609 0.000 0.803 140 E CB -0.058 29.130 29.700 -0.853 0.000 0.755 140 E HN 0.339 nan 8.360 nan 0.000 0.453 141 W N -0.926 120.171 121.300 -0.340 0.000 3.003 141 W HA 0.114 4.656 4.660 -0.196 0.000 0.257 141 W C -0.025 176.090 176.519 -0.673 0.000 1.308 141 W CA -0.127 56.910 57.345 -0.513 0.000 1.529 141 W CB 0.484 29.546 29.460 -0.664 0.000 1.115 141 W HN 0.033 nan 8.180 nan 0.000 0.659 142 Y N 0.207 120.503 120.300 -0.007 0.000 2.529 142 Y HA 0.189 4.619 4.550 -0.199 0.000 0.319 142 Y C -1.714 174.162 175.900 -0.040 0.000 1.063 142 Y CA -1.757 56.346 58.100 0.006 0.000 1.178 142 Y CB 0.554 39.039 38.460 0.042 0.000 1.123 142 Y HN -0.206 nan 8.280 nan 0.000 0.625 143 P HA -0.094 nan 4.420 nan 0.000 0.223 143 P C 0.418 177.725 177.300 0.011 0.000 1.151 143 P CA 1.345 64.431 63.100 -0.024 0.000 0.787 143 P CB 0.532 32.179 31.700 -0.089 0.000 0.788 144 D N -0.146 120.278 120.400 0.040 0.000 2.336 144 D HA 0.142 4.663 4.640 -0.198 0.000 0.229 144 D C 1.453 177.781 176.300 0.046 0.000 1.061 144 D CA 0.865 54.888 54.000 0.038 0.000 0.875 144 D CB 0.056 40.882 40.800 0.043 0.000 0.904 144 D HN 0.172 nan 8.370 nan 0.000 0.525 145 G N 0.166 109.005 108.800 0.064 0.000 2.598 145 G HA2 -0.229 3.612 3.960 -0.198 0.000 0.244 145 G HA3 -0.229 3.612 3.960 -0.198 0.000 0.244 145 G C -0.592 174.326 174.900 0.030 0.000 1.302 145 G CA -0.261 44.863 45.100 0.039 0.000 0.903 145 G HN 0.268 nan 8.290 nan 0.000 0.575 146 V N 0.301 120.193 119.914 -0.038 0.000 2.851 146 V HA 0.538 4.539 4.120 -0.198 0.000 0.307 146 V C 1.257 177.302 176.094 -0.082 0.000 1.129 146 V CA 0.577 62.809 62.300 -0.112 0.000 0.932 146 V CB 1.835 33.485 31.823 -0.289 0.000 1.024 146 V HN 1.635 nan 8.190 nan 0.000 0.426 147 S N 3.379 119.036 115.700 -0.072 0.000 2.378 147 S HA -0.037 4.314 4.470 -0.198 0.000 0.221 147 S C 0.524 175.090 174.600 -0.056 0.000 1.037 147 S CA 0.957 59.129 58.200 -0.047 0.000 1.069 147 S CB -0.135 63.043 63.200 -0.036 0.000 1.006 147 S HN 0.785 nan 8.310 nan 0.000 0.423 148 E N 1.797 121.951 120.200 -0.076 0.000 2.212 148 E HA 0.454 4.685 4.350 -0.198 0.000 0.270 148 E C -2.687 173.851 176.600 -0.103 0.000 0.956 148 E CA -2.707 53.650 56.400 -0.071 0.000 0.825 148 E CB 0.466 30.131 29.700 -0.059 0.000 1.167 148 E HN 0.192 nan 8.360 nan 0.000 0.400 149 P HA 0.048 nan 4.420 nan 0.000 0.269 149 P C -0.169 177.063 177.300 -0.112 0.000 1.217 149 P CA 0.021 63.065 63.100 -0.093 0.000 0.783 149 P CB 0.584 32.250 31.700 -0.057 0.000 0.898 150 L N 3.117 124.262 121.223 -0.130 0.000 2.319 150 L HA 0.279 4.500 4.340 -0.198 0.000 0.280 150 L C -2.023 174.833 176.870 -0.023 0.000 1.099 150 L CA -2.075 52.694 54.840 -0.118 0.000 0.828 150 L CB 0.322 42.306 42.059 -0.125 0.000 1.150 150 L HN 0.184 nan 8.230 nan 0.000 0.442 151 P HA 0.168 nan 4.420 nan 0.000 0.271 151 P C -0.912 176.477 177.300 0.148 0.000 1.220 151 P CA -0.126 63.055 63.100 0.135 0.000 0.768 151 P CB 0.847 32.727 31.700 0.300 0.000 0.848 152 L N 3.173 124.451 121.223 0.092 0.000 2.346 152 L HA 0.788 5.009 4.340 -0.198 0.000 0.276 152 L C 0.076 177.001 176.870 0.092 0.000 1.006 152 L CA -0.443 54.444 54.840 0.079 0.000 0.817 152 L CB 1.548 43.623 42.059 0.025 0.000 1.272 152 L HN 0.432 nan 8.230 nan 0.000 0.421 153 G N 3.155 112.016 108.800 0.102 0.000 2.356 153 G HA2 0.447 4.288 3.960 -0.198 0.000 0.322 153 G HA3 0.447 4.288 3.960 -0.198 0.000 0.322 153 G C -1.565 173.466 174.900 0.218 0.000 1.125 153 G CA -0.274 44.901 45.100 0.125 0.000 0.885 153 G HN 0.397 nan 8.290 nan 0.000 0.467 154 F N 2.716 122.696 119.950 0.050 0.000 2.382 154 F HA 0.472 4.879 4.527 -0.199 0.000 0.361 154 F C 0.225 176.102 175.800 0.129 0.000 1.109 154 F CA -1.471 56.584 58.000 0.091 0.000 1.031 154 F CB 1.316 40.364 39.000 0.079 0.000 1.234 154 F HN 0.267 nan 8.300 nan 0.000 0.445 155 T N 7.420 122.188 114.554 0.358 0.000 2.727 155 T HA 0.190 4.421 4.350 -0.198 0.000 0.295 155 T C -0.744 173.998 174.700 0.071 0.000 0.915 155 T CA 0.238 62.415 62.100 0.128 0.000 1.066 155 T CB -0.317 68.620 68.868 0.115 0.000 0.891 155 T HN 0.395 nan 8.240 nan 0.000 0.516 156 F N 3.352 123.113 119.950 -0.314 0.000 2.564 156 F HA 0.395 4.802 4.527 -0.199 0.000 0.368 156 F C 0.133 175.881 175.800 -0.087 0.000 1.127 156 F CA -0.945 56.877 58.000 -0.296 0.000 1.170 156 F CB 0.768 39.323 39.000 -0.741 0.000 1.397 156 F HN 0.344 nan 8.300 nan 0.000 0.493 157 S N 5.440 120.936 115.700 -0.341 0.000 3.729 157 S HA 0.397 4.748 4.470 -0.198 0.000 0.235 157 S C -1.208 172.932 174.600 -0.766 0.000 1.367 157 S CA 0.008 57.964 58.200 -0.407 0.000 0.907 157 S CB -0.566 62.455 63.200 -0.299 0.000 1.471 157 S HN 0.531 nan 8.310 nan 0.000 0.476 158 Y N 0.675 120.669 120.300 -0.509 0.000 2.544 158 Y HA 0.366 4.797 4.550 -0.198 0.000 0.342 158 Y C -2.564 173.163 175.900 -0.288 0.000 1.062 158 Y CA -2.500 55.324 58.100 -0.461 0.000 1.023 158 Y CB 1.118 39.080 38.460 -0.830 0.000 1.308 158 Y HN 0.240 nan 8.280 nan 0.000 0.457 159 P HA 0.255 nan 4.420 nan 0.000 0.261 159 P C -1.085 176.222 177.300 0.011 0.000 1.203 159 P CA 0.387 63.482 63.100 -0.010 0.000 0.767 159 P CB 0.279 31.978 31.700 -0.000 0.000 0.785 160 A N 2.836 125.676 122.820 0.034 0.000 2.515 160 A HA 0.688 4.889 4.320 -0.198 0.000 0.298 160 A C -0.343 177.265 177.584 0.041 0.000 1.059 160 A CA -0.515 51.558 52.037 0.060 0.000 0.698 160 A CB 1.379 20.473 19.000 0.155 0.000 1.289 160 A HN 0.443 nan 8.150 nan 0.000 0.404 161 S N 1.117 116.835 115.700 0.030 0.000 2.549 161 S HA 0.743 5.094 4.470 -0.198 0.000 0.297 161 S C -0.698 173.935 174.600 0.054 0.000 1.115 161 S CA -0.638 57.588 58.200 0.042 0.000 1.059 161 S CB 1.273 64.490 63.200 0.029 0.000 1.046 161 S HN 0.665 nan 8.310 nan 0.000 0.506 162 Q N 0.864 120.730 119.800 0.110 0.000 2.292 162 Q HA 0.358 4.579 4.340 -0.198 0.000 0.270 162 Q C -0.351 175.763 176.000 0.191 0.000 1.024 162 Q CA -0.541 55.336 55.803 0.124 0.000 0.768 162 Q CB 2.296 31.162 28.738 0.212 0.000 1.250 162 Q HN 0.719 nan 8.270 nan 0.000 0.447 163 K N 1.251 121.642 120.400 -0.015 0.000 2.400 163 K HA 0.043 4.244 4.320 -0.198 0.000 0.194 163 K C 0.197 176.404 176.600 -0.654 0.000 1.033 163 K CA 0.709 56.914 56.287 -0.136 0.000 1.021 163 K CB 0.412 32.843 32.500 -0.116 0.000 0.808 163 K HN 0.454 nan 8.250 nan 0.000 0.505 164 K N -1.187 118.820 120.400 -0.655 0.000 2.607 164 K HA 0.197 4.398 4.320 -0.198 0.000 0.287 164 K C 0.105 176.455 176.600 -0.417 0.000 0.996 164 K CA -0.697 55.048 56.287 -0.903 0.000 0.876 164 K CB 0.558 32.730 32.500 -0.547 0.000 1.496 164 K HN -0.172 nan 8.250 nan 0.000 0.415 165 I N 0.908 121.334 120.570 -0.240 0.000 2.439 165 I HA -0.175 3.876 4.170 -0.198 0.000 0.251 165 I C 0.498 176.603 176.117 -0.020 0.000 1.139 165 I CA 1.086 62.391 61.300 0.008 0.000 1.438 165 I CB -0.023 38.040 38.000 0.106 0.000 1.085 165 I HN 0.719 nan 8.210 nan 0.000 0.427 166 N N 0.351 119.010 118.700 -0.068 0.000 2.597 166 N HA 0.055 4.676 4.740 -0.198 0.000 0.269 166 N C -0.454 175.013 175.510 -0.072 0.000 1.204 166 N CA -0.035 52.986 53.050 -0.050 0.000 0.947 166 N CB 0.450 38.907 38.487 -0.050 0.000 1.258 166 N HN 0.054 nan 8.380 nan 0.000 0.508 167 S N -1.185 114.469 115.700 -0.077 0.000 2.556 167 S HA 0.811 5.162 4.470 -0.198 0.000 0.271 167 S C -1.270 173.287 174.600 -0.071 0.000 1.135 167 S CA -0.503 57.644 58.200 -0.089 0.000 0.858 167 S CB 1.408 64.543 63.200 -0.108 0.000 1.114 167 S HN 0.457 nan 8.310 nan 0.000 0.468 168 G N 1.763 110.508 108.800 -0.092 0.000 2.267 168 G HA2 0.481 4.322 3.960 -0.198 0.000 0.285 168 G HA3 0.481 4.322 3.960 -0.198 0.000 0.285 168 G C -1.609 173.242 174.900 -0.082 0.000 1.323 168 G CA -0.311 44.747 45.100 -0.070 0.000 1.306 168 G HN 0.793 nan 8.290 nan 0.000 0.617 169 V N 3.812 123.701 119.914 -0.041 0.000 2.353 169 V HA 0.254 4.255 4.120 -0.198 0.000 0.264 169 V C 0.647 176.718 176.094 -0.037 0.000 1.049 169 V CA -0.737 61.533 62.300 -0.051 0.000 0.896 169 V CB 1.079 32.873 31.823 -0.048 0.000 1.025 169 V HN 0.746 nan 8.190 nan 0.000 0.475 170 L N 5.806 126.995 121.223 -0.056 0.000 2.584 170 L HA 0.044 4.265 4.340 -0.198 0.000 0.272 170 L C 1.244 178.038 176.870 -0.125 0.000 1.195 170 L CA 1.086 55.878 54.840 -0.079 0.000 0.920 170 L CB 0.510 42.421 42.059 -0.248 0.000 1.173 170 L HN 0.730 nan 8.230 nan 0.000 0.489 171 Q N 4.848 124.594 119.800 -0.089 0.000 2.259 171 Q HA 0.136 4.357 4.340 -0.198 0.000 0.201 171 Q C -0.058 175.890 176.000 -0.087 0.000 0.938 171 Q CA 0.741 56.498 55.803 -0.076 0.000 0.872 171 Q CB 0.272 28.989 28.738 -0.034 0.000 0.971 171 Q HN 0.701 nan 8.270 nan 0.000 0.494 172 R N -0.816 119.625 120.500 -0.098 0.000 2.572 172 R HA 0.142 4.363 4.340 -0.198 0.000 0.273 172 R C -1.999 174.305 176.300 0.007 0.000 1.168 172 R CA -0.577 55.496 56.100 -0.044 0.000 1.021 172 R CB 0.115 30.431 30.300 0.026 0.000 1.249 172 R HN 0.019 nan 8.270 nan 0.000 0.423 173 W N 3.438 124.771 121.300 0.054 0.000 2.231 173 W HA 0.110 4.651 4.660 -0.198 0.000 0.341 173 W C 0.864 177.469 176.519 0.142 0.000 1.298 173 W CA 0.532 57.905 57.345 0.046 0.000 1.266 173 W CB 1.108 30.610 29.460 0.070 0.000 1.172 173 W HN 0.696 nan 8.180 nan 0.000 0.568 174 T N -0.844 114.076 114.554 0.610 0.000 2.807 174 T HA 0.483 4.714 4.350 -0.198 0.000 0.277 174 T C -0.461 174.466 174.700 0.378 0.000 1.006 174 T CA -1.167 61.151 62.100 0.363 0.000 1.006 174 T CB 1.474 70.450 68.868 0.180 0.000 1.274 174 T HN 0.471 nan 8.240 nan 0.000 0.569 175 K N 0.384 120.905 120.400 0.200 0.000 3.244 175 K HA -0.123 4.078 4.320 -0.198 0.000 0.270 175 K C 1.039 177.764 176.600 0.209 0.000 1.016 175 K CA 0.458 56.845 56.287 0.167 0.000 0.754 175 K CB -2.229 30.364 32.500 0.156 0.000 1.326 175 K HN 1.621 nan 8.250 nan 0.000 0.465 176 G N -0.245 108.624 108.800 0.116 0.000 2.196 176 G HA2 -0.378 3.463 3.960 -0.198 0.000 0.268 176 G HA3 -0.378 3.463 3.960 -0.198 0.000 0.268 176 G C 0.151 175.001 174.900 -0.085 0.000 0.975 176 G CA 0.542 45.646 45.100 0.007 0.000 0.648 176 G HN 0.393 nan 8.290 nan 0.000 0.538 177 F N 1.205 121.060 119.950 -0.158 0.000 2.543 177 F HA 0.461 4.869 4.527 -0.197 0.000 0.375 177 F C 0.882 176.378 175.800 -0.506 0.000 1.075 177 F CA 0.387 58.098 58.000 -0.483 0.000 1.225 177 F CB 1.063 39.587 39.000 -0.794 0.000 1.099 177 F HN 0.001 nan 8.300 nan 0.000 0.561 178 D N 4.837 124.969 120.400 -0.446 0.000 2.879 178 D HA 0.252 4.773 4.640 -0.198 0.000 0.351 178 D C -0.613 175.540 176.300 -0.246 0.000 1.239 178 D CA -0.079 53.779 54.000 -0.236 0.000 0.771 178 D CB -0.122 40.596 40.800 -0.137 0.000 1.176 178 D HN 0.269 nan 8.370 nan 0.000 0.496 179 I N 1.249 121.582 120.570 -0.396 0.000 2.312 179 I HA 0.204 4.255 4.170 -0.198 0.000 0.291 179 I C 0.787 177.086 176.117 0.304 0.000 1.031 179 I CA -0.748 60.515 61.300 -0.062 0.000 1.293 179 I CB 1.153 39.113 38.000 -0.066 0.000 1.403 179 I HN -0.021 nan 8.210 nan 0.000 0.484 180 E N 4.141 124.451 120.200 0.183 0.000 2.398 180 E HA 0.283 4.514 4.350 -0.198 0.000 0.263 180 E C 0.966 177.717 176.600 0.251 0.000 1.046 180 E CA 1.157 57.678 56.400 0.201 0.000 0.908 180 E CB 0.633 30.403 29.700 0.118 0.000 0.963 180 E HN 0.768 nan 8.360 nan 0.000 0.431 181 G N 1.977 110.926 108.800 0.249 0.000 2.147 181 G HA2 -0.227 3.614 3.960 -0.198 0.000 0.244 181 G HA3 -0.227 3.614 3.960 -0.198 0.000 0.244 181 G C 0.489 175.617 174.900 0.380 0.000 1.005 181 G CA 0.315 45.580 45.100 0.276 0.000 0.713 181 G HN 0.393 nan 8.290 nan 0.000 0.515 182 V N -0.771 119.364 119.914 0.368 0.000 3.250 182 V HA 0.210 4.211 4.120 -0.198 0.000 0.240 182 V C 1.259 177.397 176.094 0.072 0.000 1.275 182 V CA 0.815 63.310 62.300 0.325 0.000 1.206 182 V CB 0.308 32.409 31.823 0.463 0.000 0.976 182 V HN 0.437 nan 8.190 nan 0.000 0.467 183 E N 1.020 121.194 120.200 -0.043 0.000 2.417 183 E HA 0.369 4.600 4.350 -0.198 0.000 0.261 183 E C 1.144 177.621 176.600 -0.206 0.000 1.000 183 E CA 0.911 57.208 56.400 -0.172 0.000 0.919 183 E CB 0.500 30.128 29.700 -0.120 0.000 0.955 183 E HN 0.497 nan 8.360 nan 0.000 0.455 184 G N 3.083 111.740 108.800 -0.238 0.000 2.176 184 G HA2 -0.192 3.649 3.960 -0.198 0.000 0.232 184 G HA3 -0.192 3.649 3.960 -0.198 0.000 0.232 184 G C -0.079 174.544 174.900 -0.462 0.000 0.986 184 G CA -0.375 44.518 45.100 -0.345 0.000 0.643 184 G HN 0.621 nan 8.290 nan 0.000 0.522 185 H N 0.216 119.255 119.070 -0.051 0.000 2.679 185 H HA 0.516 4.953 4.556 -0.199 0.000 0.367 185 H C -1.078 174.194 175.328 -0.094 0.000 1.162 185 H CA -0.873 55.141 56.048 -0.056 0.000 1.181 185 H CB 1.845 31.590 29.762 -0.030 0.000 1.693 185 H HN 0.148 nan 8.280 nan 0.000 0.538 186 D N 1.881 122.298 120.400 0.029 0.000 2.343 186 D HA 0.007 4.528 4.640 -0.198 0.000 0.255 186 D C 1.331 177.528 176.300 -0.170 0.000 1.187 186 D CA -0.107 53.845 54.000 -0.081 0.000 0.875 186 D CB 1.059 41.810 40.800 -0.081 0.000 1.136 186 D HN 0.372 nan 8.370 nan 0.000 0.469 187 V N 2.398 122.150 119.914 -0.270 0.000 2.951 187 V HA -0.079 3.922 4.120 -0.198 0.000 0.255 187 V C 1.962 177.729 176.094 -0.544 0.000 1.088 187 V CA 0.568 62.578 62.300 -0.484 0.000 1.109 187 V CB -0.382 31.091 31.823 -0.582 0.000 0.724 187 V HN 0.392 nan 8.190 nan 0.000 0.471 188 V N 1.117 120.844 119.914 -0.312 0.000 2.255 188 V HA -0.119 3.882 4.120 -0.198 0.000 0.247 188 V C 0.546 176.480 176.094 -0.267 0.000 1.051 188 V CA 2.968 65.138 62.300 -0.217 0.000 1.018 188 V CB -1.871 29.885 31.823 -0.112 0.000 0.641 188 V HN 0.511 nan 8.190 nan 0.000 0.445 189 P HA -0.153 nan 4.420 nan 0.000 0.218 189 P C 1.902 179.018 177.300 -0.307 0.000 1.148 189 P CA 1.552 64.520 63.100 -0.221 0.000 0.822 189 P CB -0.125 31.472 31.700 -0.171 0.000 0.784 190 M N -1.720 117.591 119.600 -0.482 0.000 2.108 190 M HA -0.152 4.209 4.480 -0.198 0.000 0.261 190 M C 2.172 178.048 176.300 -0.706 0.000 1.066 190 M CA 1.730 56.614 55.300 -0.694 0.000 1.107 190 M CB -0.852 31.039 32.600 -1.182 0.000 1.356 190 M HN -0.022 nan 8.290 nan 0.000 0.406 191 L N -0.273 120.493 121.223 -0.762 0.000 2.095 191 L HA -0.197 4.024 4.340 -0.198 0.000 0.204 191 L C 2.515 179.268 176.870 -0.196 0.000 1.080 191 L CA 1.375 55.987 54.840 -0.379 0.000 0.759 191 L CB -0.285 41.557 42.059 -0.360 0.000 0.914 191 L HN 0.297 nan 8.230 nan 0.000 0.439 192 Q N 0.829 120.504 119.800 -0.208 0.000 2.096 192 Q HA -0.272 3.949 4.340 -0.198 0.000 0.204 192 Q C 1.896 177.835 176.000 -0.101 0.000 0.982 192 Q CA 2.395 58.119 55.803 -0.132 0.000 0.850 192 Q CB -0.096 28.569 28.738 -0.121 0.000 0.901 192 Q HN 0.705 nan 8.270 nan 0.000 0.422 193 E N -1.062 119.068 120.200 -0.116 0.000 2.204 193 E HA -0.204 4.027 4.350 -0.198 0.000 0.194 193 E C 1.760 178.337 176.600 -0.039 0.000 0.989 193 E CA 0.888 57.243 56.400 -0.074 0.000 0.824 193 E CB -0.151 29.503 29.700 -0.076 0.000 0.756 193 E HN 0.299 nan 8.360 nan 0.000 0.477 194 Q N 0.819 120.605 119.800 -0.024 0.000 2.137 194 Q HA 0.034 4.255 4.340 -0.198 0.000 0.198 194 Q C 2.347 178.349 176.000 0.003 0.000 0.960 194 Q CA 0.753 56.569 55.803 0.022 0.000 0.847 194 Q CB -0.129 28.666 28.738 0.094 0.000 0.915 194 Q HN 0.442 nan 8.270 nan 0.000 0.448 195 I N 0.892 121.451 120.570 -0.019 0.000 2.118 195 I HA -0.321 3.730 4.170 -0.198 0.000 0.241 195 I C 2.093 178.196 176.117 -0.023 0.000 1.070 195 I CA 1.461 62.745 61.300 -0.026 0.000 1.327 195 I CB -0.178 37.796 38.000 -0.043 0.000 1.034 195 I HN 0.239 nan 8.210 nan 0.000 0.405 196 E N 0.592 120.775 120.200 -0.029 0.000 2.077 196 E HA -0.257 3.974 4.350 -0.198 0.000 0.193 196 E C 2.161 178.751 176.600 -0.017 0.000 0.989 196 E CA 1.024 57.408 56.400 -0.026 0.000 0.800 196 E CB -0.092 29.588 29.700 -0.032 0.000 0.746 196 E HN 0.249 nan 8.360 nan 0.000 0.452 197 K N 0.565 120.958 120.400 -0.012 0.000 2.286 197 K HA -0.158 4.043 4.320 -0.198 0.000 0.203 197 K C 1.238 177.836 176.600 -0.003 0.000 1.045 197 K CA 0.977 57.261 56.287 -0.004 0.000 0.935 197 K CB 0.063 32.566 32.500 0.005 0.000 0.737 197 K HN 0.194 nan 8.250 nan 0.000 0.460 198 L N 0.127 121.347 121.223 -0.005 0.000 2.728 198 L HA 0.137 4.358 4.340 -0.198 0.000 0.238 198 L C -0.387 176.479 176.870 -0.007 0.000 1.143 198 L CA -0.167 54.670 54.840 -0.005 0.000 0.937 198 L CB -0.150 41.906 42.059 -0.006 0.000 1.225 198 L HN 0.192 nan 8.230 nan 0.000 0.507 199 N N 0.774 119.468 118.700 -0.010 0.000 2.710 199 N HA -0.203 4.418 4.740 -0.198 0.000 0.249 199 N C -0.293 175.210 175.510 -0.011 0.000 1.059 199 N CA 0.329 53.372 53.050 -0.012 0.000 0.720 199 N CB -1.149 37.332 38.487 -0.010 0.000 0.983 199 N HN 0.335 nan 8.380 nan 0.000 0.544 200 I N 0.396 120.960 120.570 -0.010 0.000 2.441 200 I HA 0.179 4.230 4.170 -0.198 0.000 0.287 200 I C -1.604 174.503 176.117 -0.017 0.000 1.049 200 I CA -1.879 59.418 61.300 -0.004 0.000 1.381 200 I CB 0.623 38.624 38.000 0.002 0.000 1.409 200 I HN -0.142 nan 8.210 nan 0.000 0.523 201 P HA 0.314 nan 4.420 nan 0.000 0.235 201 P C -0.567 176.700 177.300 -0.055 0.000 1.765 201 P CA 0.404 63.475 63.100 -0.049 0.000 1.034 201 P CB -0.343 31.313 31.700 -0.074 0.000 1.984 202 I N 1.032 121.579 120.570 -0.037 0.000 2.582 202 I HA 0.269 4.320 4.170 -0.198 0.000 0.292 202 I C -0.004 176.095 176.117 -0.030 0.000 1.066 202 I CA -0.757 60.524 61.300 -0.032 0.000 1.053 202 I CB 2.497 40.486 38.000 -0.018 0.000 1.241 202 I HN -0.079 nan 8.210 nan 0.000 0.421 203 N N 4.408 123.096 118.700 -0.021 0.000 2.444 203 N HA 0.353 4.974 4.740 -0.198 0.000 0.262 203 N C -0.969 174.538 175.510 -0.005 0.000 0.974 203 N CA -0.571 52.470 53.050 -0.016 0.000 0.933 203 N CB 2.017 40.499 38.487 -0.007 0.000 1.137 203 N HN 0.186 nan 8.380 nan 0.000 0.498 204 V N 3.455 123.357 119.914 -0.019 0.000 2.415 204 V HA -0.004 3.997 4.120 -0.198 0.000 0.267 204 V C 1.329 177.430 176.094 0.012 0.000 1.042 204 V CA 0.023 62.322 62.300 -0.001 0.000 1.000 204 V CB 0.513 32.323 31.823 -0.022 0.000 1.015 204 V HN 0.629 nan 8.190 nan 0.000 0.478 205 V N 2.060 121.995 119.914 0.035 0.000 3.661 205 V HA 0.742 4.743 4.120 -0.198 0.000 0.271 205 V C 0.631 176.741 176.094 0.027 0.000 1.315 205 V CA 0.619 62.933 62.300 0.024 0.000 1.072 205 V CB 0.208 32.050 31.823 0.033 0.000 0.830 205 V HN 0.836 nan 8.190 nan 0.000 0.443 206 A N 0.551 123.405 122.820 0.057 0.000 2.540 206 A HA 0.779 4.980 4.320 -0.198 0.000 0.297 206 A C -1.504 176.139 177.584 0.098 0.000 1.056 206 A CA -0.406 51.665 52.037 0.058 0.000 0.700 206 A CB 1.905 20.931 19.000 0.043 0.000 1.280 206 A HN 0.522 nan 8.150 nan 0.000 0.398 207 L N 4.134 125.396 121.223 0.064 0.000 2.341 207 L HA 0.923 5.144 4.340 -0.198 0.000 0.278 207 L C -0.711 176.173 176.870 0.024 0.000 1.005 207 L CA -0.789 54.072 54.840 0.035 0.000 0.818 207 L CB 1.152 43.188 42.059 -0.038 0.000 1.259 207 L HN 0.818 nan 8.230 nan 0.000 0.418 208 I N 1.468 122.044 120.570 0.010 0.000 3.074 208 I HA 0.517 4.568 4.170 -0.198 0.000 0.310 208 I C -1.432 174.674 176.117 -0.017 0.000 1.153 208 I CA -0.869 60.432 61.300 0.002 0.000 0.993 208 I CB 2.116 40.116 38.000 -0.001 0.000 1.237 208 I HN 0.633 nan 8.210 nan 0.000 0.443 209 N N 1.777 120.455 118.700 -0.037 0.000 2.509 209 N HA 0.096 4.717 4.740 -0.198 0.000 0.287 209 N C 0.122 175.597 175.510 -0.059 0.000 1.121 209 N CA 0.198 53.211 53.050 -0.060 0.000 0.977 209 N CB 1.913 40.356 38.487 -0.073 0.000 1.167 209 N HN 0.911 nan 8.380 nan 0.000 0.476 210 D N 1.053 121.415 120.400 -0.063 0.000 2.219 210 D HA -0.122 4.399 4.640 -0.198 0.000 0.205 210 D C 1.087 177.356 176.300 -0.051 0.000 0.970 210 D CA 1.363 55.335 54.000 -0.047 0.000 0.851 210 D CB -0.031 40.743 40.800 -0.044 0.000 0.943 210 D HN 0.492 nan 8.370 nan 0.000 0.488 211 T N -0.402 114.111 114.554 -0.067 0.000 2.777 211 T HA -0.140 4.091 4.350 -0.198 0.000 0.266 211 T C 1.974 176.625 174.700 -0.080 0.000 1.040 211 T CA 1.739 63.795 62.100 -0.072 0.000 1.141 211 T CB -0.668 68.142 68.868 -0.097 0.000 0.868 211 T HN 0.256 nan 8.240 nan 0.000 0.444 212 T N 1.373 115.869 114.554 -0.098 0.000 2.720 212 T HA -0.090 4.141 4.350 -0.198 0.000 0.268 212 T C 2.282 176.930 174.700 -0.087 0.000 1.037 212 T CA 1.392 63.419 62.100 -0.121 0.000 1.144 212 T CB -0.895 67.898 68.868 -0.123 0.000 0.864 212 T HN 0.532 nan 8.240 nan 0.000 0.444 213 G N 0.953 109.717 108.800 -0.060 0.000 2.418 213 G HA2 -0.220 3.621 3.960 -0.198 0.000 0.217 213 G HA3 -0.220 3.621 3.960 -0.198 0.000 0.217 213 G C 1.722 176.603 174.900 -0.031 0.000 1.158 213 G CA 1.433 46.507 45.100 -0.043 0.000 0.771 213 G HN 0.448 nan 8.290 nan 0.000 0.545 214 T N 1.153 115.690 114.554 -0.029 0.000 2.684 214 T HA -0.165 4.066 4.350 -0.198 0.000 0.267 214 T C 2.250 176.955 174.700 0.008 0.000 1.036 214 T CA 1.333 63.427 62.100 -0.011 0.000 1.148 214 T CB -0.313 68.543 68.868 -0.020 0.000 0.863 214 T HN 0.171 nan 8.240 nan 0.000 0.436 215 L N 1.395 122.615 121.223 -0.005 0.000 1.989 215 L HA -0.085 4.136 4.340 -0.198 0.000 0.211 215 L C 2.405 179.326 176.870 0.085 0.000 1.071 215 L CA 1.769 56.625 54.840 0.028 0.000 0.749 215 L CB -0.849 41.185 42.059 -0.042 0.000 0.890 215 L HN 0.104 nan 8.230 nan 0.000 0.431 216 V N 0.115 120.062 119.914 0.055 0.000 2.323 216 V HA -0.188 3.813 4.120 -0.198 0.000 0.244 216 V C 2.825 178.994 176.094 0.125 0.000 1.041 216 V CA 1.495 63.866 62.300 0.119 0.000 1.025 216 V CB -1.422 30.439 31.823 0.064 0.000 0.656 216 V HN 0.621 nan 8.190 nan 0.000 0.451 217 A N 0.014 122.867 122.820 0.056 0.000 1.902 217 A HA -0.201 4.000 4.320 -0.198 0.000 0.217 217 A C 2.453 180.135 177.584 0.163 0.000 1.181 217 A CA 2.329 54.396 52.037 0.050 0.000 0.623 217 A CB -0.644 18.327 19.000 -0.048 0.000 0.818 217 A HN 0.526 nan 8.150 nan 0.000 0.443 218 S N -0.644 115.137 115.700 0.134 0.000 2.406 218 S HA -0.064 4.287 4.470 -0.198 0.000 0.228 218 S C 1.750 176.448 174.600 0.164 0.000 1.020 218 S CA 1.129 59.419 58.200 0.149 0.000 0.965 218 S CB -0.287 62.975 63.200 0.103 0.000 0.798 218 S HN 0.463 nan 8.310 nan 0.000 0.488 219 L N 0.843 122.172 121.223 0.177 0.000 2.156 219 L HA 0.049 4.270 4.340 -0.198 0.000 0.208 219 L C 1.921 178.914 176.870 0.205 0.000 1.095 219 L CA 1.507 56.448 54.840 0.168 0.000 0.770 219 L CB -0.893 41.295 42.059 0.215 0.000 0.914 219 L HN 0.354 nan 8.230 nan 0.000 0.439 220 Y N 0.201 120.588 120.300 0.145 0.000 2.181 220 Y HA -0.243 4.189 4.550 -0.196 0.000 0.288 220 Y C 2.533 178.613 175.900 0.299 0.000 1.146 220 Y CA 2.429 60.638 58.100 0.182 0.000 1.164 220 Y CB -0.423 38.107 38.460 0.118 0.000 0.982 220 Y HN 0.396 nan 8.280 nan 0.000 0.515 221 T N -3.063 111.671 114.554 0.300 0.000 3.035 221 T HA 0.016 4.247 4.350 -0.198 0.000 0.259 221 T C 0.289 175.018 174.700 0.048 0.000 1.078 221 T CA 0.678 62.904 62.100 0.210 0.000 1.132 221 T CB -0.042 69.028 68.868 0.336 0.000 0.900 221 T HN 0.245 nan 8.240 nan 0.000 0.480 222 D N 1.790 122.221 120.400 0.052 0.000 2.420 222 D HA 0.382 4.903 4.640 -0.198 0.000 0.255 222 D C -2.401 173.861 176.300 -0.063 0.000 1.185 222 D CA -2.650 51.340 54.000 -0.017 0.000 0.904 222 D CB 1.942 42.788 40.800 0.076 0.000 1.102 222 D HN -0.073 nan 8.370 nan 0.000 0.534 223 P HA -0.066 nan 4.420 nan 0.000 0.228 223 P C 0.744 177.926 177.300 -0.197 0.000 1.151 223 P CA 0.908 63.912 63.100 -0.160 0.000 0.770 223 P CB 0.260 31.836 31.700 -0.208 0.000 0.786 224 Q N -1.526 118.127 119.800 -0.243 0.000 2.444 224 Q HA 0.051 4.272 4.340 -0.198 0.000 0.206 224 Q C 0.117 175.987 176.000 -0.217 0.000 0.948 224 Q CA 0.366 55.968 55.803 -0.336 0.000 0.946 224 Q CB -0.412 27.925 28.738 -0.669 0.000 1.027 224 Q HN 0.172 nan 8.270 nan 0.000 0.513 225 T N 1.327 115.827 114.554 -0.090 0.000 2.853 225 T HA 0.087 4.318 4.350 -0.198 0.000 0.298 225 T C 0.783 175.448 174.700 -0.059 0.000 0.978 225 T CA 0.323 62.422 62.100 -0.001 0.000 1.152 225 T CB 0.738 69.644 68.868 0.063 0.000 0.914 225 T HN 0.122 nan 8.240 nan 0.000 0.539 226 K N 2.197 122.552 120.400 -0.075 0.000 2.438 226 K HA 0.341 4.542 4.320 -0.198 0.000 0.206 226 K C 0.100 176.757 176.600 0.095 0.000 1.081 226 K CA 0.001 56.189 56.287 -0.165 0.000 1.053 226 K CB 0.727 32.848 32.500 -0.631 0.000 0.908 226 K HN 0.552 nan 8.250 nan 0.000 0.556 227 M N -0.191 119.476 119.600 0.110 0.000 2.490 227 M HA 0.341 4.702 4.480 -0.198 0.000 0.286 227 M C -1.797 174.556 176.300 0.087 0.000 1.185 227 M CA -0.616 54.773 55.300 0.149 0.000 0.912 227 M CB 2.247 34.941 32.600 0.157 0.000 1.744 227 M HN 0.047 nan 8.290 nan 0.000 0.494 228 G N 3.784 112.623 108.800 0.064 0.000 2.416 228 G HA2 0.715 4.556 3.960 -0.198 0.000 0.324 228 G HA3 0.715 4.556 3.960 -0.198 0.000 0.324 228 G C -1.899 173.007 174.900 0.010 0.000 1.194 228 G CA -0.560 44.551 45.100 0.018 0.000 0.922 228 G HN 0.810 nan 8.290 nan 0.000 0.467 229 I N 2.074 122.638 120.570 -0.010 0.000 2.647 229 I HA 0.506 4.557 4.170 -0.198 0.000 0.295 229 I C -1.217 174.894 176.117 -0.009 0.000 1.078 229 I CA -1.308 60.002 61.300 0.018 0.000 1.048 229 I CB 2.084 40.132 38.000 0.078 0.000 1.239 229 I HN 0.158 nan 8.210 nan 0.000 0.421 230 I N 8.180 128.767 120.570 0.029 0.000 2.389 230 I HA 0.400 4.451 4.170 -0.198 0.000 0.288 230 I C -0.577 175.587 176.117 0.078 0.000 0.999 230 I CA -0.463 60.855 61.300 0.030 0.000 1.129 230 I CB 1.485 39.492 38.000 0.012 0.000 1.288 230 I HN 0.421 nan 8.210 nan 0.000 0.444 231 I N 5.800 126.407 120.570 0.063 0.000 2.495 231 I HA 0.614 4.665 4.170 -0.198 0.000 0.277 231 I C 0.516 176.638 176.117 0.010 0.000 1.045 231 I CA 0.046 61.378 61.300 0.053 0.000 1.135 231 I CB 1.577 39.606 38.000 0.049 0.000 1.241 231 I HN 0.742 nan 8.210 nan 0.000 0.469 232 G N 2.434 111.248 108.800 0.022 0.000 3.255 232 G HA2 0.143 3.984 3.960 -0.198 0.000 0.161 232 G HA3 0.143 3.984 3.960 -0.198 0.000 0.161 232 G C 0.422 175.342 174.900 0.032 0.000 1.173 232 G CA 0.091 45.202 45.100 0.019 0.000 1.106 232 G HN 0.214 nan 8.290 nan 0.000 0.650 233 T N 0.544 115.111 114.554 0.022 0.000 2.821 233 T HA 0.220 4.451 4.350 -0.198 0.000 0.267 233 T C 1.162 175.852 174.700 -0.016 0.000 1.046 233 T CA 1.662 63.763 62.100 0.001 0.000 1.139 233 T CB -0.403 68.435 68.868 -0.049 0.000 0.871 233 T HN 0.712 nan 8.240 nan 0.000 0.454 234 G N 0.250 109.049 108.800 -0.003 0.000 2.735 234 G HA2 0.611 4.453 3.960 -0.198 0.000 0.301 234 G HA3 0.611 4.453 3.960 -0.198 0.000 0.301 234 G C -1.208 173.735 174.900 0.071 0.000 1.279 234 G CA -0.497 44.624 45.100 0.035 0.000 1.019 234 G HN 0.383 nan 8.290 nan 0.000 0.497 235 V N -1.819 118.167 119.914 0.120 0.000 2.925 235 V HA 0.920 4.921 4.120 -0.198 0.000 0.311 235 V C -1.035 175.183 176.094 0.207 0.000 1.104 235 V CA -1.059 61.354 62.300 0.189 0.000 0.954 235 V CB 1.881 33.845 31.823 0.236 0.000 1.022 235 V HN 0.859 nan 8.190 nan 0.000 0.427 236 N N 0.780 119.554 118.700 0.123 0.000 3.043 236 N HA 0.781 5.402 4.740 -0.198 0.000 0.243 236 N C -0.741 174.542 175.510 -0.378 0.000 1.347 236 N CA 0.366 53.279 53.050 -0.228 0.000 0.896 236 N CB 2.271 40.672 38.487 -0.144 0.000 1.501 236 N HN 1.425 nan 8.380 nan 0.000 0.504 237 G N -0.569 107.774 108.800 -0.761 0.000 2.660 237 G HA2 0.887 4.728 3.960 -0.198 0.000 0.294 237 G HA3 0.887 4.728 3.960 -0.198 0.000 0.294 237 G C -1.769 173.005 174.900 -0.210 0.000 1.369 237 G CA -0.250 44.630 45.100 -0.367 0.000 0.912 237 G HN 0.665 nan 8.290 nan 0.000 0.479 238 A N 0.150 122.949 122.820 -0.034 0.000 2.520 238 A HA 0.928 5.129 4.320 -0.198 0.000 0.298 238 A C -1.217 176.427 177.584 0.101 0.000 1.051 238 A CA -0.724 51.298 52.037 -0.024 0.000 0.690 238 A CB 1.300 20.224 19.000 -0.126 0.000 1.281 238 A HN 2.067 nan 8.150 nan 0.000 0.402 239 Y N -0.993 119.257 120.300 -0.084 0.000 2.670 239 Y HA 0.756 5.180 4.550 -0.209 0.000 0.334 239 Y C -1.786 174.100 175.900 -0.022 0.000 1.185 239 Y CA -1.590 56.523 58.100 0.023 0.000 1.053 239 Y CB 0.836 39.371 38.460 0.126 0.000 1.298 239 Y HN 0.538 nan 8.280 nan 0.000 0.459 240 Y N 2.268 122.591 120.300 0.038 0.000 2.327 240 Y HA 0.294 4.747 4.550 -0.161 0.000 0.336 240 Y C 0.420 176.314 175.900 -0.009 0.000 1.035 240 Y CA 0.088 58.153 58.100 -0.059 0.000 1.165 240 Y CB 0.823 39.419 38.460 0.225 0.000 1.181 240 Y HN 0.700 nan 8.280 nan 0.000 0.494 241 D N 0.931 121.277 120.400 -0.090 0.000 2.560 241 D HA 0.469 4.990 4.640 -0.198 0.000 0.277 241 D C -1.260 175.093 176.300 0.089 0.000 1.194 241 D CA -0.290 53.768 54.000 0.097 0.000 1.092 241 D CB 2.047 42.856 40.800 0.015 0.000 1.169 241 D HN 0.331 nan 8.370 nan 0.000 0.607 242 V N 0.910 120.860 119.914 0.060 0.000 2.709 242 V HA 0.175 4.176 4.120 -0.198 0.000 0.308 242 V C 1.190 177.284 176.094 0.000 0.000 1.062 242 V CA -0.583 61.741 62.300 0.040 0.000 0.901 242 V CB 1.781 33.643 31.823 0.066 0.000 1.003 242 V HN 0.446 nan 8.190 nan 0.000 0.425 243 V N 4.557 124.461 119.914 -0.016 0.000 2.324 243 V HA -0.188 3.813 4.120 -0.198 0.000 0.250 243 V C 2.557 178.644 176.094 -0.011 0.000 1.060 243 V CA 2.871 65.154 62.300 -0.029 0.000 1.042 243 V CB -0.578 31.235 31.823 -0.018 0.000 0.650 243 V HN 1.153 nan 8.190 nan 0.000 0.450 244 S N 0.626 116.328 115.700 0.003 0.000 2.462 244 S HA -0.121 4.230 4.470 -0.198 0.000 0.243 244 S C 1.712 176.317 174.600 0.007 0.000 1.003 244 S CA 1.332 59.536 58.200 0.008 0.000 0.970 244 S CB -0.590 62.618 63.200 0.014 0.000 0.762 244 S HN 0.630 nan 8.310 nan 0.000 0.510 245 G N 0.423 109.227 108.800 0.008 0.000 3.189 245 G HA2 0.469 4.310 3.960 -0.198 0.000 0.225 245 G HA3 0.469 4.310 3.960 -0.198 0.000 0.225 245 G C 0.276 175.177 174.900 0.002 0.000 1.159 245 G CA -0.416 44.691 45.100 0.012 0.000 0.763 245 G HN 0.586 nan 8.290 nan 0.000 0.549 246 I N 0.954 121.516 120.570 -0.014 0.000 2.697 246 I HA 0.172 4.223 4.170 -0.198 0.000 0.279 246 I C 1.272 177.379 176.117 -0.018 0.000 1.171 246 I CA -0.296 60.986 61.300 -0.030 0.000 1.135 246 I CB 1.467 39.421 38.000 -0.076 0.000 1.445 246 I HN 0.165 nan 8.210 nan 0.000 0.541 247 E N 5.750 125.947 120.200 -0.006 0.000 2.204 247 E HA -0.228 4.003 4.350 -0.198 0.000 0.195 247 E C 1.760 178.362 176.600 0.003 0.000 0.990 247 E CA 1.327 57.728 56.400 0.001 0.000 0.821 247 E CB 0.281 29.984 29.700 0.004 0.000 0.750 247 E HN 0.716 nan 8.360 nan 0.000 0.477 248 K N 0.359 120.758 120.400 -0.002 0.000 2.439 248 K HA -0.064 4.137 4.320 -0.198 0.000 0.197 248 K C 1.799 178.409 176.600 0.016 0.000 1.041 248 K CA 0.759 57.049 56.287 0.005 0.000 0.970 248 K CB -0.061 32.439 32.500 0.001 0.000 0.773 248 K HN 0.224 nan 8.250 nan 0.000 0.479 249 L N 1.183 122.412 121.223 0.010 0.000 2.567 249 L HA 0.128 4.349 4.340 -0.198 0.000 0.225 249 L C 0.924 177.821 176.870 0.046 0.000 1.119 249 L CA -0.218 54.645 54.840 0.040 0.000 0.871 249 L CB -0.003 42.066 42.059 0.016 0.000 1.036 249 L HN 0.255 nan 8.230 nan 0.000 0.459 250 E N 0.956 121.173 120.200 0.028 0.000 2.415 250 E HA 0.050 4.281 4.350 -0.198 0.000 0.263 250 E C 1.060 177.678 176.600 0.030 0.000 0.995 250 E CA 1.042 57.458 56.400 0.026 0.000 0.915 250 E CB 0.871 30.581 29.700 0.017 0.000 0.951 250 E HN 0.348 nan 8.360 nan 0.000 0.449 251 G N 3.887 112.705 108.800 0.030 0.000 2.225 251 G HA2 -0.273 3.568 3.960 -0.198 0.000 0.254 251 G HA3 -0.273 3.568 3.960 -0.198 0.000 0.254 251 G C 0.843 175.763 174.900 0.033 0.000 0.988 251 G CA 0.468 45.584 45.100 0.027 0.000 0.625 251 G HN 0.524 nan 8.290 nan 0.000 0.527 252 L N -0.332 120.922 121.223 0.051 0.000 2.638 252 L HA 0.411 4.632 4.340 -0.198 0.000 0.232 252 L C 0.574 177.488 176.870 0.073 0.000 1.099 252 L CA -0.254 54.623 54.840 0.063 0.000 0.883 252 L CB 0.111 42.225 42.059 0.092 0.000 1.136 252 L HN 0.087 nan 8.230 nan 0.000 0.492 253 L N 1.705 122.976 121.223 0.080 0.000 2.312 253 L HA 0.396 4.617 4.340 -0.198 0.000 0.281 253 L C -1.885 175.015 176.870 0.051 0.000 1.070 253 L CA -2.236 52.660 54.840 0.094 0.000 0.805 253 L CB 0.451 42.573 42.059 0.106 0.000 1.174 253 L HN -0.195 nan 8.230 nan 0.000 0.434 254 P HA 0.122 nan 4.420 nan 0.000 0.274 254 P C 0.183 177.499 177.300 0.026 0.000 1.246 254 P CA -0.316 62.795 63.100 0.019 0.000 0.795 254 P CB 0.890 32.591 31.700 0.002 0.000 1.006 255 E N 0.307 120.517 120.200 0.017 0.000 2.160 255 E HA -0.197 4.034 4.350 -0.198 0.000 0.195 255 E C 1.037 177.648 176.600 0.018 0.000 0.991 255 E CA 1.485 57.895 56.400 0.016 0.000 0.810 255 E CB -0.192 29.514 29.700 0.010 0.000 0.742 255 E HN 0.593 nan 8.360 nan 0.000 0.466 256 D N 0.154 120.564 120.400 0.017 0.000 2.336 256 D HA -0.058 4.463 4.640 -0.198 0.000 0.229 256 D C 0.346 176.662 176.300 0.028 0.000 1.061 256 D CA 0.246 54.257 54.000 0.018 0.000 0.875 256 D CB -0.074 40.733 40.800 0.012 0.000 0.904 256 D HN 0.164 nan 8.370 nan 0.000 0.525 257 I N 1.207 121.802 120.570 0.042 0.000 2.503 257 I HA 0.373 4.424 4.170 -0.198 0.000 0.277 257 I C 0.826 176.969 176.117 0.044 0.000 1.078 257 I CA -0.800 60.534 61.300 0.057 0.000 1.184 257 I CB 1.370 39.437 38.000 0.113 0.000 1.353 257 I HN -0.097 nan 8.210 nan 0.000 0.490 258 G N 5.209 114.025 108.800 0.027 0.000 2.547 258 G HA2 0.328 4.169 3.960 -0.198 0.000 0.291 258 G HA3 0.328 4.169 3.960 -0.198 0.000 0.291 258 G C -1.462 173.449 174.900 0.018 0.000 1.211 258 G CA -1.040 44.073 45.100 0.022 0.000 0.950 258 G HN 0.301 nan 8.290 nan 0.000 0.504 259 P HA -0.099 nan 4.420 nan 0.000 0.217 259 P C 0.526 177.834 177.300 0.014 0.000 1.148 259 P CA 1.199 64.308 63.100 0.014 0.000 0.828 259 P CB 0.278 31.987 31.700 0.015 0.000 0.783 260 D N -1.045 119.364 120.400 0.015 0.000 2.339 260 D HA 0.029 4.550 4.640 -0.198 0.000 0.217 260 D C 0.618 176.923 176.300 0.009 0.000 1.050 260 D CA 0.205 54.217 54.000 0.019 0.000 0.856 260 D CB -0.158 40.656 40.800 0.025 0.000 0.922 260 D HN 0.087 nan 8.370 nan 0.000 0.518 261 S N 1.796 117.494 115.700 -0.003 0.000 2.552 261 S HA 0.110 4.461 4.470 -0.198 0.000 0.289 261 S C -2.365 172.206 174.600 -0.049 0.000 1.304 261 S CA -1.042 57.141 58.200 -0.029 0.000 1.063 261 S CB 0.759 63.951 63.200 -0.015 0.000 0.848 261 S HN -0.151 nan 8.310 nan 0.000 0.499 262 P HA 0.271 nan 4.420 nan 0.000 0.270 262 P C -0.794 176.474 177.300 -0.054 0.000 1.223 262 P CA -0.179 62.833 63.100 -0.148 0.000 0.785 262 P CB 0.422 31.743 31.700 -0.632 0.000 0.923 263 M N 1.992 121.598 119.600 0.010 0.000 2.234 263 M HA 0.552 4.913 4.480 -0.198 0.000 0.267 263 M C -1.557 174.604 176.300 -0.232 0.000 1.022 263 M CA -0.653 54.576 55.300 -0.118 0.000 0.993 263 M CB 1.325 33.797 32.600 -0.215 0.000 1.836 263 M HN 0.311 nan 8.290 nan 0.000 0.479 264 A N 5.497 128.082 122.820 -0.392 0.000 2.450 264 A HA 0.660 4.861 4.320 -0.198 0.000 0.255 264 A C -0.585 176.684 177.584 -0.526 0.000 1.096 264 A CA -0.232 51.398 52.037 -0.679 0.000 0.778 264 A CB -0.060 18.512 19.000 -0.713 0.000 1.031 264 A HN 0.744 nan 8.150 nan 0.000 0.494 265 I N 2.553 122.764 120.570 -0.599 0.000 2.404 265 I HA 0.208 4.259 4.170 -0.198 0.000 0.293 265 I C -0.092 175.828 176.117 -0.328 0.000 0.992 265 I CA -0.780 60.244 61.300 -0.460 0.000 1.149 265 I CB 1.496 39.183 38.000 -0.522 0.000 1.315 265 I HN 0.741 nan 8.210 nan 0.000 0.446 266 N N 4.655 123.220 118.700 -0.224 0.000 2.437 266 N HA 0.156 4.777 4.740 -0.198 0.000 0.243 266 N C 0.651 176.098 175.510 -0.104 0.000 1.041 266 N CA -0.231 52.725 53.050 -0.157 0.000 0.940 266 N CB 0.860 39.266 38.487 -0.134 0.000 1.133 266 N HN 0.561 nan 8.380 nan 0.000 0.506 267 C N 1.700 120.945 119.300 -0.091 0.000 2.440 267 C HA 0.038 4.379 4.460 -0.198 0.000 0.278 267 C C 0.508 175.502 174.990 0.007 0.000 1.295 267 C CA 0.039 59.055 59.018 -0.004 0.000 1.738 267 C CB -0.972 26.776 27.740 0.013 0.000 1.987 267 C HN 0.754 nan 8.230 nan 0.000 0.492 268 E N 0.269 120.426 120.200 -0.072 0.000 2.269 268 E HA -0.230 4.001 4.350 -0.198 0.000 0.223 268 E C 0.080 176.788 176.600 0.179 0.000 1.244 268 E CA 0.712 57.118 56.400 0.010 0.000 0.713 268 E CB -1.650 28.064 29.700 0.024 0.000 1.178 268 E HN 0.958 nan 8.360 nan 0.000 0.370 269 Y N -2.025 118.399 120.300 0.206 0.000 2.578 269 Y HA 0.351 4.781 4.550 -0.200 0.000 0.297 269 Y C 1.837 177.968 175.900 0.386 0.000 1.176 269 Y CA 0.046 58.308 58.100 0.270 0.000 1.315 269 Y CB -0.932 37.732 38.460 0.339 0.000 1.031 269 Y HN 0.034 nan 8.280 nan 0.000 0.524 270 G N 0.826 110.033 108.800 0.677 0.000 2.485 270 G HA2 -0.319 3.522 3.960 -0.198 0.000 0.221 270 G HA3 -0.319 3.522 3.960 -0.198 0.000 0.221 270 G C 1.655 176.783 174.900 0.379 0.000 1.115 270 G CA 1.358 46.772 45.100 0.524 0.000 0.751 270 G HN 0.574 nan 8.290 nan 0.000 0.567 271 S N -0.492 115.378 115.700 0.283 0.000 2.593 271 S HA 0.231 4.582 4.470 -0.198 0.000 0.217 271 S C 0.744 175.409 174.600 0.109 0.000 0.966 271 S CA -0.746 57.552 58.200 0.163 0.000 0.914 271 S CB -0.285 62.981 63.200 0.109 0.000 0.776 271 S HN 0.223 nan 8.310 nan 0.000 0.523 272 F N 4.023 123.938 119.950 -0.059 0.000 2.612 272 F HA 0.197 4.608 4.527 -0.194 0.000 0.389 272 F C 0.718 176.373 175.800 -0.242 0.000 1.055 272 F CA 0.094 57.876 58.000 -0.362 0.000 1.232 272 F CB -0.425 37.953 39.000 -1.035 0.000 1.044 272 F HN 0.282 nan 8.300 nan 0.000 0.560 273 D N 3.798 123.612 120.400 -0.976 0.000 2.835 273 D HA -0.257 4.264 4.640 -0.198 0.000 0.230 273 D C 0.760 176.772 176.300 -0.479 0.000 1.130 273 D CA 0.899 54.385 54.000 -0.858 0.000 0.738 273 D CB -1.346 38.722 40.800 -1.220 0.000 1.090 273 D HN 0.701 nan 8.370 nan 0.000 0.433 274 N N 0.234 118.723 118.700 -0.352 0.000 2.348 274 N HA -0.147 4.474 4.740 -0.198 0.000 0.185 274 N C 1.332 176.354 175.510 -0.813 0.000 1.019 274 N CA 0.964 53.793 53.050 -0.369 0.000 0.880 274 N CB 0.050 38.423 38.487 -0.190 0.000 0.965 274 N HN 0.485 nan 8.380 nan 0.000 0.437 275 E N 0.388 120.227 120.200 -0.603 0.000 2.482 275 E HA -0.060 4.171 4.350 -0.198 0.000 0.196 275 E C -0.247 176.014 176.600 -0.565 0.000 1.047 275 E CA 0.163 56.238 56.400 -0.542 0.000 0.869 275 E CB -0.470 29.078 29.700 -0.254 0.000 0.836 275 E HN 0.499 nan 8.360 nan 0.000 0.520 276 H N -0.795 118.177 119.070 -0.163 0.000 2.677 276 H HA -0.183 4.254 4.556 -0.198 0.000 0.321 276 H C 1.156 176.388 175.328 -0.161 0.000 1.171 276 H CA 0.730 56.681 56.048 -0.161 0.000 1.139 276 H CB -2.115 27.578 29.762 -0.115 0.000 1.515 276 H HN 0.141 nan 8.280 nan 0.000 0.423 277 L N 1.007 122.129 121.223 -0.169 0.000 2.162 277 L HA -0.023 4.198 4.340 -0.198 0.000 0.205 277 L C 2.246 179.007 176.870 -0.182 0.000 1.086 277 L CA 1.673 56.391 54.840 -0.204 0.000 0.778 277 L CB 0.189 42.035 42.059 -0.355 0.000 0.928 277 L HN 0.375 nan 8.230 nan 0.000 0.446 278 V N -4.564 115.245 119.914 -0.174 0.000 3.473 278 V HA 0.290 4.291 4.120 -0.198 0.000 0.253 278 V C 0.932 177.017 176.094 -0.015 0.000 1.340 278 V CA -0.421 61.830 62.300 -0.083 0.000 1.103 278 V CB -0.343 31.466 31.823 -0.022 0.000 0.881 278 V HN 0.028 nan 8.190 nan 0.000 0.451 279 L N 3.378 124.582 121.223 -0.030 0.000 2.453 279 L HA 0.328 4.549 4.340 -0.198 0.000 0.272 279 L C -1.836 175.045 176.870 0.019 0.000 1.182 279 L CA -1.184 53.679 54.840 0.038 0.000 0.858 279 L CB 0.755 42.840 42.059 0.044 0.000 1.120 279 L HN 0.185 nan 8.230 nan 0.000 0.474 280 P HA 0.130 nan 4.420 nan 0.000 0.225 280 P C -0.540 176.722 177.300 -0.063 0.000 1.813 280 P CA -0.334 62.753 63.100 -0.022 0.000 1.013 280 P CB -0.093 31.598 31.700 -0.015 0.000 1.961 281 R N 1.061 121.515 120.500 -0.076 0.000 2.458 281 R HA 0.158 4.379 4.340 -0.198 0.000 0.303 281 R C 1.361 177.570 176.300 -0.152 0.000 1.013 281 R CA 0.402 56.431 56.100 -0.119 0.000 1.026 281 R CB 0.081 30.270 30.300 -0.184 0.000 0.948 281 R HN 0.372 nan 8.270 nan 0.000 0.417 282 T N -0.935 113.520 114.554 -0.165 0.000 2.862 282 T HA 0.152 4.383 4.350 -0.198 0.000 0.276 282 T C 1.266 175.833 174.700 -0.221 0.000 0.974 282 T CA -0.893 61.076 62.100 -0.218 0.000 0.966 282 T CB 1.235 69.954 68.868 -0.248 0.000 1.072 282 T HN 0.657 nan 8.240 nan 0.000 0.538 283 K N -0.241 119.949 120.400 -0.350 0.000 2.211 283 K HA -0.190 4.011 4.320 -0.198 0.000 0.204 283 K C 1.505 177.898 176.600 -0.345 0.000 1.047 283 K CA 1.579 57.640 56.287 -0.377 0.000 0.935 283 K CB -0.749 31.480 32.500 -0.452 0.000 0.728 283 K HN 0.679 nan 8.250 nan 0.000 0.452 284 Y N 2.560 122.857 120.300 -0.003 0.000 2.200 284 Y HA -0.117 4.314 4.550 -0.199 0.000 0.290 284 Y C 1.983 177.894 175.900 0.018 0.000 1.137 284 Y CA 1.174 59.298 58.100 0.042 0.000 1.163 284 Y CB -0.506 38.036 38.460 0.136 0.000 0.988 284 Y HN 0.144 nan 8.280 nan 0.000 0.518 285 D N -0.197 120.267 120.400 0.107 0.000 2.178 285 D HA -0.126 4.395 4.640 -0.198 0.000 0.202 285 D C 2.294 178.564 176.300 -0.051 0.000 0.974 285 D CA 1.203 55.215 54.000 0.020 0.000 0.841 285 D CB -0.242 40.542 40.800 -0.027 0.000 0.953 285 D HN 0.220 nan 8.370 nan 0.000 0.478 286 V N 1.813 121.673 119.914 -0.089 0.000 2.233 286 V HA -0.250 3.751 4.120 -0.198 0.000 0.247 286 V C 2.625 178.690 176.094 -0.048 0.000 1.050 286 V CA 1.316 63.550 62.300 -0.110 0.000 1.010 286 V CB -0.453 31.292 31.823 -0.130 0.000 0.637 286 V HN 0.133 nan 8.190 nan 0.000 0.444 287 I N -0.326 120.233 120.570 -0.018 0.000 2.151 287 I HA -0.307 3.744 4.170 -0.198 0.000 0.243 287 I C 2.313 178.459 176.117 0.050 0.000 1.080 287 I CA 1.955 63.268 61.300 0.022 0.000 1.339 287 I CB -0.444 37.584 38.000 0.047 0.000 1.039 287 I HN 0.236 nan 8.210 nan 0.000 0.409 288 I N 0.539 121.149 120.570 0.066 0.000 2.264 288 I HA -0.324 3.727 4.170 -0.198 0.000 0.248 288 I C 2.220 178.396 176.117 0.098 0.000 1.111 288 I CA 1.532 62.897 61.300 0.109 0.000 1.382 288 I CB -0.413 37.656 38.000 0.116 0.000 1.060 288 I HN 0.318 nan 8.210 nan 0.000 0.418 289 D N 0.925 121.341 120.400 0.026 0.000 2.103 289 D HA -0.175 4.346 4.640 -0.198 0.000 0.199 289 D C 2.016 178.342 176.300 0.043 0.000 0.978 289 D CA 1.326 55.335 54.000 0.014 0.000 0.829 289 D CB 0.040 40.812 40.800 -0.047 0.000 0.981 289 D HN 0.370 nan 8.370 nan 0.000 0.464 290 E N -0.014 120.205 120.200 0.032 0.000 2.274 290 E HA -0.074 4.157 4.350 -0.198 0.000 0.194 290 E C 1.573 178.211 176.600 0.062 0.000 0.996 290 E CA 0.568 56.991 56.400 0.038 0.000 0.840 290 E CB -0.002 29.710 29.700 0.021 0.000 0.772 290 E HN 0.468 nan 8.360 nan 0.000 0.491 291 E N 1.037 121.289 120.200 0.087 0.000 2.452 291 E HA 0.014 4.245 4.350 -0.198 0.000 0.197 291 E C 0.477 177.171 176.600 0.156 0.000 1.022 291 E CA -0.056 56.412 56.400 0.114 0.000 0.890 291 E CB 0.519 30.291 29.700 0.120 0.000 0.918 291 E HN 0.100 nan 8.360 nan 0.000 0.496 292 S N 1.059 116.857 115.700 0.163 0.000 2.593 292 S HA 0.103 4.454 4.470 -0.198 0.000 0.269 292 S C -1.772 172.900 174.600 0.120 0.000 1.334 292 S CA -1.202 57.106 58.200 0.181 0.000 1.015 292 S CB 1.064 64.373 63.200 0.182 0.000 0.912 292 S HN -0.235 nan 8.310 nan 0.000 0.541 293 P HA -0.126 nan 4.420 nan 0.000 0.216 293 P C 0.159 177.497 177.300 0.064 0.000 1.154 293 P CA 1.324 64.466 63.100 0.070 0.000 0.865 293 P CB 0.051 31.782 31.700 0.051 0.000 0.789 294 R N -0.907 119.634 120.500 0.069 0.000 2.664 294 R HA 0.339 4.560 4.340 -0.198 0.000 0.281 294 R C -2.555 173.783 176.300 0.062 0.000 1.383 294 R CA -1.895 54.241 56.100 0.060 0.000 1.563 294 R CB 0.247 30.580 30.300 0.055 0.000 1.131 294 R HN 0.185 nan 8.270 nan 0.000 0.599 295 P HA -0.054 nan 4.420 nan 0.000 0.266 295 P C 0.954 178.291 177.300 0.062 0.000 1.193 295 P CA 0.971 64.106 63.100 0.058 0.000 0.770 295 P CB 0.632 32.362 31.700 0.050 0.000 0.836 296 G N 0.146 108.997 108.800 0.085 0.000 2.184 296 G HA2 -0.212 3.629 3.960 -0.198 0.000 0.264 296 G HA3 -0.212 3.629 3.960 -0.198 0.000 0.264 296 G C 0.107 175.050 174.900 0.071 0.000 0.975 296 G CA -0.089 45.078 45.100 0.111 0.000 0.642 296 G HN 0.548 nan 8.290 nan 0.000 0.536 297 Q N -0.841 118.998 119.800 0.065 0.000 2.297 297 Q HA 0.591 4.812 4.340 -0.198 0.000 0.269 297 Q C 0.706 176.744 176.000 0.064 0.000 1.051 297 Q CA -0.643 55.190 55.803 0.051 0.000 0.869 297 Q CB 1.095 29.861 28.738 0.048 0.000 1.346 297 Q HN 0.296 nan 8.270 nan 0.000 0.457 298 Q N -0.799 119.044 119.800 0.072 0.000 2.481 298 Q HA -0.253 3.968 4.340 -0.198 0.000 0.272 298 Q C 0.696 176.750 176.000 0.090 0.000 1.157 298 Q CA 0.881 56.742 55.803 0.097 0.000 0.935 298 Q CB -2.164 26.630 28.738 0.093 0.000 1.338 298 Q HN 0.829 nan 8.270 nan 0.000 0.494 299 A N -0.261 122.616 122.820 0.095 0.000 1.908 299 A HA -0.176 4.025 4.320 -0.198 0.000 0.218 299 A C 1.573 179.245 177.584 0.147 0.000 1.181 299 A CA 1.620 53.720 52.037 0.105 0.000 0.627 299 A CB -0.542 18.547 19.000 0.148 0.000 0.818 299 A HN 0.400 nan 8.150 nan 0.000 0.445 300 F N 0.607 120.575 119.950 0.031 0.000 2.259 300 F HA -0.045 4.363 4.527 -0.199 0.000 0.298 300 F C 2.090 177.967 175.800 0.129 0.000 1.088 300 F CA 1.637 59.696 58.000 0.099 0.000 1.358 300 F CB -0.383 38.724 39.000 0.179 0.000 1.040 300 F HN 0.452 nan 8.300 nan 0.000 0.505 301 E N 0.390 120.659 120.200 0.114 0.000 2.058 301 E HA -0.258 3.973 4.350 -0.198 0.000 0.194 301 E C 2.101 178.699 176.600 -0.005 0.000 0.997 301 E CA 1.758 58.192 56.400 0.056 0.000 0.801 301 E CB -0.126 29.669 29.700 0.158 0.000 0.746 301 E HN 0.367 nan 8.360 nan 0.000 0.450 302 K N -0.527 119.785 120.400 -0.146 0.000 2.280 302 K HA -0.089 4.112 4.320 -0.198 0.000 0.202 302 K C 1.769 178.212 176.600 -0.261 0.000 1.047 302 K CA 1.073 57.043 56.287 -0.529 0.000 0.942 302 K CB 0.062 32.253 32.500 -0.515 0.000 0.739 302 K HN 0.274 nan 8.250 nan 0.000 0.457 303 M N -0.208 119.324 119.600 -0.113 0.000 2.509 303 M HA 0.011 4.372 4.480 -0.198 0.000 0.250 303 M C 1.561 177.828 176.300 -0.055 0.000 1.132 303 M CA 1.055 56.331 55.300 -0.040 0.000 1.080 303 M CB 0.128 32.744 32.600 0.027 0.000 1.408 303 M HN 0.186 nan 8.290 nan 0.000 0.484 304 T N -4.444 110.027 114.554 -0.140 0.000 2.966 304 T HA 0.130 4.361 4.350 -0.198 0.000 0.254 304 T C 0.929 175.631 174.700 0.003 0.000 0.961 304 T CA -0.017 62.005 62.100 -0.131 0.000 0.915 304 T CB 0.172 68.795 68.868 -0.409 0.000 1.186 304 T HN 0.165 nan 8.240 nan 0.000 0.505 305 S N 0.760 116.523 115.700 0.106 0.000 2.572 305 S HA 0.454 4.805 4.470 -0.198 0.000 0.279 305 S C 1.779 176.479 174.600 0.167 0.000 1.341 305 S CA 0.110 58.417 58.200 0.178 0.000 1.043 305 S CB 0.625 64.030 63.200 0.341 0.000 0.887 305 S HN 0.480 nan 8.310 nan 0.000 0.516 306 G N 2.274 111.124 108.800 0.083 0.000 2.471 306 G HA2 -0.167 3.674 3.960 -0.198 0.000 0.219 306 G HA3 -0.167 3.674 3.960 -0.198 0.000 0.219 306 G C 1.047 175.993 174.900 0.077 0.000 1.125 306 G CA 0.679 45.807 45.100 0.047 0.000 0.775 306 G HN 0.906 nan 8.290 nan 0.000 0.548 307 Y N 0.368 120.606 120.300 -0.104 0.000 2.421 307 Y HA -0.039 4.392 4.550 -0.198 0.000 0.292 307 Y C 1.772 177.499 175.900 -0.288 0.000 1.136 307 Y CA 1.060 58.998 58.100 -0.271 0.000 1.255 307 Y CB 0.115 38.278 38.460 -0.496 0.000 0.991 307 Y HN 0.305 nan 8.280 nan 0.000 0.552 308 Y N -1.346 119.048 120.300 0.157 0.000 2.462 308 Y HA 0.102 4.533 4.550 -0.199 0.000 0.261 308 Y C 1.809 177.731 175.900 0.036 0.000 1.146 308 Y CA -0.030 58.147 58.100 0.129 0.000 1.283 308 Y CB -0.067 38.511 38.460 0.197 0.000 1.090 308 Y HN 0.022 nan 8.280 nan 0.000 0.526 309 L N -0.684 120.612 121.223 0.122 0.000 2.093 309 L HA -0.108 4.113 4.340 -0.198 0.000 0.208 309 L C 2.516 179.409 176.870 0.039 0.000 1.085 309 L CA 1.512 56.398 54.840 0.077 0.000 0.755 309 L CB -0.807 41.281 42.059 0.048 0.000 0.904 309 L HN 0.358 nan 8.230 nan 0.000 0.435 310 G N -0.494 108.310 108.800 0.006 0.000 2.430 310 G HA2 -0.243 3.598 3.960 -0.198 0.000 0.216 310 G HA3 -0.243 3.598 3.960 -0.198 0.000 0.216 310 G C 1.463 176.285 174.900 -0.130 0.000 1.146 310 G CA 0.541 45.612 45.100 -0.049 0.000 0.793 310 G HN 0.309 nan 8.290 nan 0.000 0.537 311 E N 0.699 120.809 120.200 -0.151 0.000 2.072 311 E HA -0.060 4.172 4.350 -0.198 0.000 0.191 311 E C 2.345 178.880 176.600 -0.108 0.000 0.985 311 E CA 0.703 56.963 56.400 -0.234 0.000 0.801 311 E CB -0.333 29.131 29.700 -0.394 0.000 0.750 311 E HN 0.484 nan 8.360 nan 0.000 0.452 312 I N 0.086 120.648 120.570 -0.013 0.000 2.127 312 I HA -0.352 3.699 4.170 -0.198 0.000 0.241 312 I C 2.537 178.589 176.117 -0.109 0.000 1.075 312 I CA 1.543 62.849 61.300 0.010 0.000 1.334 312 I CB -0.320 37.727 38.000 0.079 0.000 1.040 312 I HN 0.236 nan 8.210 nan 0.000 0.405 313 M N -0.416 119.118 119.600 -0.110 0.000 2.106 313 M HA -0.269 4.092 4.480 -0.198 0.000 0.259 313 M C 2.526 178.777 176.300 -0.081 0.000 1.068 313 M CA 1.737 56.970 55.300 -0.112 0.000 1.100 313 M CB -0.596 31.993 32.600 -0.018 0.000 1.351 313 M HN 0.171 nan 8.290 nan 0.000 0.404 314 R N 0.892 121.343 120.500 -0.080 0.000 2.096 314 R HA -0.175 4.046 4.340 -0.198 0.000 0.240 314 R C 1.962 178.239 176.300 -0.039 0.000 1.139 314 R CA 1.640 57.703 56.100 -0.063 0.000 0.952 314 R CB -0.315 29.899 30.300 -0.142 0.000 0.854 314 R HN 0.361 nan 8.270 nan 0.000 0.436 315 L N -0.243 120.944 121.223 -0.060 0.000 2.109 315 L HA -0.105 4.116 4.340 -0.198 0.000 0.207 315 L C 2.397 179.235 176.870 -0.055 0.000 1.086 315 L CA 0.512 55.364 54.840 0.020 0.000 0.760 315 L CB -0.193 41.948 42.059 0.137 0.000 0.910 315 L HN 0.038 nan 8.230 nan 0.000 0.437 316 V N 0.160 119.862 119.914 -0.353 0.000 2.295 316 V HA -0.298 3.703 4.120 -0.198 0.000 0.246 316 V C 2.388 178.401 176.094 -0.135 0.000 1.049 316 V CA 1.760 63.766 62.300 -0.488 0.000 1.024 316 V CB -0.392 31.102 31.823 -0.547 0.000 0.648 316 V HN 0.335 nan 8.190 nan 0.000 0.447 317 L N -0.967 120.218 121.223 -0.063 0.000 2.046 317 L HA -0.184 4.037 4.340 -0.198 0.000 0.208 317 L C 2.444 179.373 176.870 0.099 0.000 1.077 317 L CA 1.064 55.911 54.840 0.011 0.000 0.747 317 L CB -0.581 41.570 42.059 0.153 0.000 0.896 317 L HN 0.321 nan 8.230 nan 0.000 0.432 318 L N 0.227 121.528 121.223 0.129 0.000 2.083 318 L HA -0.234 3.987 4.340 -0.198 0.000 0.209 318 L C 2.086 179.091 176.870 0.225 0.000 1.083 318 L CA 1.861 56.815 54.840 0.191 0.000 0.752 318 L CB -0.774 41.366 42.059 0.134 0.000 0.899 318 L HN 0.239 nan 8.230 nan 0.000 0.433 319 D N -0.849 119.669 120.400 0.195 0.000 2.097 319 D HA -0.207 4.314 4.640 -0.198 0.000 0.195 319 D C 2.242 178.669 176.300 0.211 0.000 0.989 319 D CA 1.522 55.659 54.000 0.227 0.000 0.827 319 D CB -0.094 40.915 40.800 0.348 0.000 0.966 319 D HN 0.388 nan 8.370 nan 0.000 0.456 320 L N -0.592 120.738 121.223 0.178 0.000 2.131 320 L HA -0.148 4.073 4.340 -0.198 0.000 0.210 320 L C 2.347 179.320 176.870 0.171 0.000 1.092 320 L CA 0.976 55.938 54.840 0.202 0.000 0.759 320 L CB -0.618 41.465 42.059 0.040 0.000 0.903 320 L HN 0.161 nan 8.230 nan 0.000 0.435 321 Y N 1.265 121.586 120.300 0.035 0.000 2.145 321 Y HA -0.276 4.155 4.550 -0.198 0.000 0.286 321 Y C 2.238 178.164 175.900 0.043 0.000 1.145 321 Y CA 1.840 59.969 58.100 0.048 0.000 1.148 321 Y CB -0.179 38.356 38.460 0.126 0.000 0.981 321 Y HN 0.183 nan 8.280 nan 0.000 0.507 322 D N -0.563 119.853 120.400 0.026 0.000 2.178 322 D HA -0.120 4.401 4.640 -0.198 0.000 0.202 322 D C 1.910 178.130 176.300 -0.133 0.000 0.974 322 D CA 1.612 55.572 54.000 -0.065 0.000 0.841 322 D CB -0.291 40.564 40.800 0.092 0.000 0.953 322 D HN 0.294 nan 8.370 nan 0.000 0.478 323 S N -0.636 115.021 115.700 -0.071 0.000 2.701 323 S HA 0.277 4.628 4.470 -0.198 0.000 0.220 323 S C 1.467 175.766 174.600 -0.502 0.000 0.954 323 S CA 0.448 58.550 58.200 -0.162 0.000 0.936 323 S CB 0.273 63.531 63.200 0.097 0.000 0.777 323 S HN 0.428 nan 8.310 nan 0.000 0.518 324 G N 0.721 109.268 108.800 -0.422 0.000 2.160 324 G HA2 -0.292 3.549 3.960 -0.198 0.000 0.251 324 G HA3 -0.292 3.549 3.960 -0.198 0.000 0.251 324 G C 0.361 175.000 174.900 -0.435 0.000 1.008 324 G CA 0.255 45.081 45.100 -0.456 0.000 0.724 324 G HN 0.536 nan 8.290 nan 0.000 0.514 325 F N 0.168 120.049 119.950 -0.116 0.000 2.374 325 F HA 0.402 4.810 4.527 -0.198 0.000 0.291 325 F C 1.808 177.540 175.800 -0.114 0.000 1.084 325 F CA 1.074 59.015 58.000 -0.099 0.000 1.413 325 F CB 0.109 39.054 39.000 -0.092 0.000 1.099 325 F HN 0.458 nan 8.300 nan 0.000 0.534 326 I N -6.563 114.021 120.570 0.024 0.000 3.174 326 I HA 0.397 4.448 4.170 -0.198 0.000 0.313 326 I C -0.455 175.707 176.117 0.074 0.000 1.155 326 I CA -1.244 59.986 61.300 -0.117 0.000 0.977 326 I CB 1.661 39.321 38.000 -0.567 0.000 1.248 326 I HN -0.115 nan 8.210 nan 0.000 0.453 327 F N 0.037 120.076 119.950 0.149 0.000 3.084 327 F HA -0.208 4.200 4.527 -0.199 0.000 0.286 327 F C 0.436 176.377 175.800 0.235 0.000 0.855 327 F CA 0.120 58.226 58.000 0.176 0.000 1.091 327 F CB -2.464 36.653 39.000 0.194 0.000 1.177 327 F HN 0.576 nan 8.300 nan 0.000 0.542 328 K N 1.437 122.016 120.400 0.298 0.000 2.472 328 K HA 0.128 4.329 4.320 -0.198 0.000 0.280 328 K C 0.798 177.508 176.600 0.182 0.000 1.028 328 K CA 0.629 57.026 56.287 0.184 0.000 1.045 328 K CB 0.158 32.699 32.500 0.069 0.000 0.902 328 K HN 0.186 nan 8.250 nan 0.000 0.478 329 D N 1.020 121.533 120.400 0.188 0.000 3.076 329 D HA -0.152 4.369 4.640 -0.198 0.000 0.218 329 D C -0.380 175.995 176.300 0.125 0.000 1.156 329 D CA 1.187 55.267 54.000 0.135 0.000 0.921 329 D CB -0.514 40.334 40.800 0.081 0.000 1.113 329 D HN 0.514 nan 8.370 nan 0.000 0.418 330 Q N 0.412 120.313 119.800 0.169 0.000 2.227 330 Q HA 0.309 4.530 4.340 -0.198 0.000 0.245 330 Q C 0.016 176.029 176.000 0.023 0.000 0.926 330 Q CA -0.251 55.595 55.803 0.072 0.000 0.895 330 Q CB 1.164 29.923 28.738 0.034 0.000 1.230 330 Q HN 0.054 nan 8.270 nan 0.000 0.450 331 D N 1.960 122.339 120.400 -0.037 0.000 2.441 331 D HA 0.162 4.683 4.640 -0.198 0.000 0.221 331 D C 0.190 176.411 176.300 -0.132 0.000 1.156 331 D CA -0.435 53.526 54.000 -0.064 0.000 0.896 331 D CB 0.075 40.851 40.800 -0.040 0.000 1.028 331 D HN 0.424 nan 8.370 nan 0.000 0.509 332 I N 0.784 121.227 120.570 -0.212 0.000 3.884 332 I HA 0.149 4.200 4.170 -0.198 0.000 0.330 332 I C 1.455 177.458 176.117 -0.190 0.000 1.451 332 I CA -0.401 60.741 61.300 -0.263 0.000 1.165 332 I CB -0.330 37.381 38.000 -0.481 0.000 1.097 332 I HN 0.142 nan 8.210 nan 0.000 0.404 333 S N -0.146 115.479 115.700 -0.126 0.000 2.500 333 S HA -0.128 4.223 4.470 -0.198 0.000 0.239 333 S C 1.828 176.386 174.600 -0.070 0.000 0.989 333 S CA 0.875 59.027 58.200 -0.081 0.000 0.951 333 S CB -0.386 62.785 63.200 -0.049 0.000 0.759 333 S HN 0.663 nan 8.310 nan 0.000 0.523 334 K N 0.370 120.721 120.400 -0.083 0.000 2.186 334 K HA 0.255 4.456 4.320 -0.198 0.000 0.202 334 K C 1.720 178.266 176.600 -0.090 0.000 1.052 334 K CA 0.223 56.463 56.287 -0.079 0.000 0.965 334 K CB -0.201 32.250 32.500 -0.082 0.000 0.746 334 K HN 0.233 nan 8.250 nan 0.000 0.457 335 L N 1.645 122.814 121.223 -0.090 0.000 2.353 335 L HA -0.113 4.108 4.340 -0.198 0.000 0.220 335 L C 1.341 178.176 176.870 -0.059 0.000 1.133 335 L CA 1.634 56.433 54.840 -0.068 0.000 0.798 335 L CB -0.094 41.953 42.059 -0.021 0.000 0.922 335 L HN 0.052 nan 8.230 nan 0.000 0.445 336 K N -0.441 119.925 120.400 -0.055 0.000 2.418 336 K HA 0.020 4.221 4.320 -0.198 0.000 0.195 336 K C 0.097 176.675 176.600 -0.037 0.000 1.035 336 K CA 0.140 56.407 56.287 -0.033 0.000 1.003 336 K CB 0.087 32.575 32.500 -0.020 0.000 0.793 336 K HN 0.418 nan 8.250 nan 0.000 0.494 337 E N 1.550 121.718 120.200 -0.053 0.000 2.223 337 E HA 0.201 4.432 4.350 -0.198 0.000 0.282 337 E C -0.644 175.914 176.600 -0.071 0.000 1.046 337 E CA -0.557 55.817 56.400 -0.044 0.000 0.857 337 E CB 1.085 30.761 29.700 -0.040 0.000 1.055 337 E HN 0.140 nan 8.360 nan 0.000 0.409 338 A N 3.551 126.345 122.820 -0.045 0.000 2.546 338 A HA -0.040 4.161 4.320 -0.198 0.000 0.243 338 A C -0.358 177.211 177.584 -0.025 0.000 1.063 338 A CA 0.192 52.170 52.037 -0.098 0.000 0.757 338 A CB -0.495 18.531 19.000 0.044 0.000 0.991 338 A HN 0.829 nan 8.150 nan 0.000 0.503 339 Y N -0.346 119.896 120.300 -0.097 0.000 4.079 339 Y HA -0.215 4.216 4.550 -0.199 0.000 0.223 339 Y C 1.366 177.156 175.900 -0.184 0.000 1.155 339 Y CA 0.843 58.840 58.100 -0.171 0.000 1.805 339 Y CB -2.127 36.232 38.460 -0.168 0.000 1.571 339 Y HN 0.493 nan 8.280 nan 0.000 0.654 340 V N -0.160 119.665 119.914 -0.148 0.000 2.719 340 V HA -0.028 3.973 4.120 -0.198 0.000 0.252 340 V C 1.179 177.044 176.094 -0.382 0.000 1.065 340 V CA 1.565 63.754 62.300 -0.185 0.000 1.086 340 V CB -0.004 31.714 31.823 -0.174 0.000 0.700 340 V HN 0.336 nan 8.190 nan 0.000 0.467 341 M N 2.115 121.400 119.600 -0.525 0.000 2.080 341 M HA 0.307 4.668 4.480 -0.198 0.000 0.350 341 M C -0.341 175.716 176.300 -0.405 0.000 1.143 341 M CA -0.583 54.170 55.300 -0.911 0.000 1.064 341 M CB 0.914 32.991 32.600 -0.871 0.000 1.429 341 M HN 0.374 nan 8.290 nan 0.000 0.418 342 D N 1.287 121.585 120.400 -0.169 0.000 2.469 342 D HA 0.190 4.711 4.640 -0.198 0.000 0.278 342 D C 0.763 177.109 176.300 0.077 0.000 1.231 342 D CA -0.445 53.531 54.000 -0.039 0.000 1.075 342 D CB 0.091 40.899 40.800 0.013 0.000 1.121 342 D HN 0.368 nan 8.370 nan 0.000 0.571 343 T N -0.899 113.701 114.554 0.077 0.000 2.929 343 T HA -0.137 4.094 4.350 -0.198 0.000 0.271 343 T C 1.748 176.558 174.700 0.183 0.000 1.085 343 T CA 1.663 63.852 62.100 0.149 0.000 1.125 343 T CB -0.503 68.457 68.868 0.153 0.000 0.874 343 T HN 0.576 nan 8.240 nan 0.000 0.494 344 S N 0.413 116.203 115.700 0.150 0.000 2.474 344 S HA -0.103 4.248 4.470 -0.198 0.000 0.235 344 S C 1.636 176.250 174.600 0.025 0.000 0.997 344 S CA 0.459 58.696 58.200 0.061 0.000 0.949 344 S CB -0.631 62.572 63.200 0.005 0.000 0.766 344 S HN 0.498 nan 8.310 nan 0.000 0.517 345 Y N 2.795 123.086 120.300 -0.014 0.000 2.130 345 Y HA 0.116 4.547 4.550 -0.199 0.000 0.287 345 Y C -0.317 175.605 175.900 0.038 0.000 1.124 345 Y CA 0.875 58.963 58.100 -0.020 0.000 1.118 345 Y CB -1.614 36.807 38.460 -0.065 0.000 0.994 345 Y HN 0.283 nan 8.280 nan 0.000 0.497 346 P HA -0.069 nan 4.420 nan 0.000 0.221 346 P C 1.448 178.783 177.300 0.059 0.000 1.150 346 P CA 1.635 64.860 63.100 0.207 0.000 0.800 346 P CB 0.084 31.969 31.700 0.308 0.000 0.787 347 S N 0.695 116.371 115.700 -0.040 0.000 2.348 347 S HA -0.135 4.216 4.470 -0.198 0.000 0.221 347 S C 1.893 176.384 174.600 -0.182 0.000 1.033 347 S CA 1.413 59.430 58.200 -0.304 0.000 1.010 347 S CB -0.623 62.435 63.200 -0.235 0.000 0.891 347 S HN 0.267 nan 8.310 nan 0.000 0.442 348 K N 0.667 121.002 120.400 -0.109 0.000 2.097 348 K HA -0.002 4.199 4.320 -0.198 0.000 0.206 348 K C 2.001 178.576 176.600 -0.043 0.000 1.049 348 K CA 1.168 57.400 56.287 -0.093 0.000 0.933 348 K CB -0.356 32.063 32.500 -0.135 0.000 0.717 348 K HN 0.315 nan 8.250 nan 0.000 0.442 349 I N 1.318 121.890 120.570 0.004 0.000 2.179 349 I HA -0.266 3.785 4.170 -0.198 0.000 0.242 349 I C 2.206 178.328 176.117 0.009 0.000 1.088 349 I CA 1.388 62.720 61.300 0.052 0.000 1.357 349 I CB -0.187 37.889 38.000 0.127 0.000 1.051 349 I HN 0.187 nan 8.210 nan 0.000 0.409 350 E N 0.393 120.577 120.200 -0.027 0.000 2.204 350 E HA -0.211 4.020 4.350 -0.198 0.000 0.194 350 E C 1.347 177.901 176.600 -0.076 0.000 0.989 350 E CA 0.942 57.313 56.400 -0.049 0.000 0.824 350 E CB -0.093 29.557 29.700 -0.083 0.000 0.756 350 E HN 0.456 nan 8.360 nan 0.000 0.477 351 D N 1.024 121.366 120.400 -0.098 0.000 2.317 351 D HA -0.078 4.443 4.640 -0.198 0.000 0.211 351 D C 0.354 176.599 176.300 -0.092 0.000 0.966 351 D CA 0.457 54.397 54.000 -0.100 0.000 0.876 351 D CB -0.194 40.543 40.800 -0.105 0.000 0.927 351 D HN 0.008 nan 8.370 nan 0.000 0.519 352 D N 0.925 121.292 120.400 -0.056 0.000 2.451 352 D HA -0.039 4.482 4.640 -0.198 0.000 0.254 352 D C -1.641 174.575 176.300 -0.141 0.000 1.204 352 D CA -1.103 52.874 54.000 -0.038 0.000 0.896 352 D CB 1.431 42.257 40.800 0.044 0.000 1.136 352 D HN 0.098 nan 8.370 nan 0.000 0.499 353 P HA 0.099 nan 4.420 nan 0.000 0.261 353 P C -0.210 176.755 177.300 -0.558 0.000 1.268 353 P CA -0.087 62.712 63.100 -0.502 0.000 0.833 353 P CB 0.020 31.322 31.700 -0.663 0.000 1.231 354 F N 0.469 120.413 119.950 -0.010 0.000 2.397 354 F HA 0.264 4.673 4.527 -0.198 0.000 0.331 354 F C 1.856 177.652 175.800 -0.007 0.000 1.090 354 F CA -0.793 57.202 58.000 -0.008 0.000 1.065 354 F CB 1.065 40.060 39.000 -0.007 0.000 1.184 354 F HN -0.314 nan 8.300 nan 0.000 0.499 355 E N 1.243 121.552 120.200 0.182 0.000 2.107 355 E HA -0.151 4.080 4.350 -0.198 0.000 0.191 355 E C 1.503 178.157 176.600 0.091 0.000 0.982 355 E CA 0.993 57.450 56.400 0.095 0.000 0.809 355 E CB -0.321 29.421 29.700 0.069 0.000 0.756 355 E HN 0.613 nan 8.360 nan 0.000 0.459 356 N N 1.167 119.935 118.700 0.113 0.000 2.461 356 N HA -0.091 4.530 4.740 -0.198 0.000 0.188 356 N C 0.545 176.101 175.510 0.075 0.000 1.134 356 N CA 0.017 53.106 53.050 0.065 0.000 0.878 356 N CB -0.371 38.133 38.487 0.028 0.000 0.972 356 N HN 0.085 nan 8.380 nan 0.000 0.456 357 L N 0.179 121.486 121.223 0.139 0.000 3.762 357 L HA -0.187 4.034 4.340 -0.198 0.000 0.460 357 L C 1.269 178.209 176.870 0.117 0.000 1.255 357 L CA 0.268 55.191 54.840 0.139 0.000 0.783 357 L CB -0.971 41.132 42.059 0.072 0.000 1.600 357 L HN 0.243 nan 8.230 nan 0.000 0.862 358 E N 0.170 120.439 120.200 0.114 0.000 2.204 358 E HA -0.165 4.066 4.350 -0.198 0.000 0.194 358 E C 1.347 177.978 176.600 0.051 0.000 0.989 358 E CA 1.286 57.682 56.400 -0.005 0.000 0.824 358 E CB 0.227 29.789 29.700 -0.230 0.000 0.756 358 E HN 0.606 nan 8.360 nan 0.000 0.477 359 D N -0.386 120.110 120.400 0.159 0.000 2.117 359 D HA -0.109 4.412 4.640 -0.198 0.000 0.197 359 D C 1.791 178.145 176.300 0.089 0.000 0.987 359 D CA 1.404 55.476 54.000 0.121 0.000 0.829 359 D CB -0.315 40.572 40.800 0.143 0.000 0.961 359 D HN 0.154 nan 8.370 nan 0.000 0.460 360 T N 0.490 115.115 114.554 0.118 0.000 2.821 360 T HA -0.148 4.083 4.350 -0.198 0.000 0.267 360 T C 1.471 176.295 174.700 0.206 0.000 1.046 360 T CA 1.254 63.459 62.100 0.176 0.000 1.139 360 T CB -0.239 68.711 68.868 0.137 0.000 0.871 360 T HN 0.075 nan 8.240 nan 0.000 0.454 361 D N 1.217 121.682 120.400 0.109 0.000 2.087 361 D HA -0.137 4.384 4.640 -0.198 0.000 0.192 361 D C 1.960 178.313 176.300 0.088 0.000 0.993 361 D CA 1.226 55.274 54.000 0.080 0.000 0.828 361 D CB -0.446 40.371 40.800 0.029 0.000 0.968 361 D HN 0.109 nan 8.370 nan 0.000 0.448 362 D N -0.735 119.695 120.400 0.049 0.000 2.106 362 D HA -0.169 4.352 4.640 -0.198 0.000 0.191 362 D C 2.115 178.426 176.300 0.019 0.000 0.997 362 D CA 0.714 54.726 54.000 0.021 0.000 0.834 362 D CB -0.527 40.272 40.800 -0.002 0.000 0.956 362 D HN 0.208 nan 8.370 nan 0.000 0.448 363 L N -0.568 120.667 121.223 0.020 0.000 2.013 363 L HA -0.179 4.042 4.340 -0.198 0.000 0.212 363 L C 2.124 178.952 176.870 -0.069 0.000 1.073 363 L CA 1.702 56.495 54.840 -0.078 0.000 0.753 363 L CB -0.657 41.329 42.059 -0.121 0.000 0.890 363 L HN 0.014 nan 8.230 nan 0.000 0.432 364 F N -0.392 119.543 119.950 -0.025 0.000 2.234 364 F HA -0.071 4.337 4.527 -0.199 0.000 0.296 364 F C 2.389 178.152 175.800 -0.063 0.000 1.089 364 F CA 1.205 59.193 58.000 -0.020 0.000 1.343 364 F CB -0.278 38.704 39.000 -0.031 0.000 1.040 364 F HN -0.007 nan 8.300 nan 0.000 0.498 365 K N -0.346 120.121 120.400 0.112 0.000 2.002 365 K HA -0.152 4.049 4.320 -0.198 0.000 0.209 365 K C 2.190 178.787 176.600 -0.005 0.000 1.048 365 K CA 2.090 58.395 56.287 0.029 0.000 0.930 365 K CB -0.585 31.927 32.500 0.019 0.000 0.714 365 K HN 0.353 nan 8.250 nan 0.000 0.438 366 T N -0.651 113.895 114.554 -0.015 0.000 2.852 366 T HA -0.022 4.209 4.350 -0.198 0.000 0.256 366 T C 1.595 176.272 174.700 -0.038 0.000 1.038 366 T CA 1.015 63.098 62.100 -0.029 0.000 1.141 366 T CB -0.196 68.652 68.868 -0.035 0.000 0.869 366 T HN 0.015 nan 8.240 nan 0.000 0.439 367 N N 1.237 119.905 118.700 -0.053 0.000 2.376 367 N HA 0.221 4.842 4.740 -0.198 0.000 0.177 367 N C 1.346 176.838 175.510 -0.031 0.000 1.024 367 N CA 0.679 53.710 53.050 -0.031 0.000 0.893 367 N CB -0.072 38.408 38.487 -0.012 0.000 0.980 367 N HN 0.415 nan 8.380 nan 0.000 0.439 368 L N -0.654 120.533 121.223 -0.060 0.000 3.086 368 L HA 0.248 4.469 4.340 -0.198 0.000 0.274 368 L C -0.045 176.780 176.870 -0.075 0.000 1.184 368 L CA -0.169 54.620 54.840 -0.084 0.000 1.002 368 L CB 0.085 42.054 42.059 -0.150 0.000 1.383 368 L HN 0.097 nan 8.230 nan 0.000 0.582 369 N N 1.934 120.602 118.700 -0.054 0.000 2.699 369 N HA -0.202 4.419 4.740 -0.198 0.000 0.256 369 N C -0.542 174.920 175.510 -0.081 0.000 0.993 369 N CA 0.201 53.218 53.050 -0.053 0.000 0.759 369 N CB -0.395 38.063 38.487 -0.049 0.000 0.906 369 N HN 0.330 nan 8.380 nan 0.000 0.541 370 I N 1.619 122.137 120.570 -0.087 0.000 2.439 370 I HA 0.160 4.211 4.170 -0.198 0.000 0.285 370 I C -0.161 175.883 176.117 -0.121 0.000 1.021 370 I CA -0.623 60.563 61.300 -0.191 0.000 1.091 370 I CB 1.524 39.273 38.000 -0.419 0.000 1.242 370 I HN 0.047 nan 8.210 nan 0.000 0.439 371 E N 5.350 125.494 120.200 -0.092 0.000 2.223 371 E HA 0.240 4.471 4.350 -0.198 0.000 0.282 371 E C -0.217 176.368 176.600 -0.024 0.000 1.046 371 E CA -0.334 56.045 56.400 -0.036 0.000 0.857 371 E CB 1.032 30.726 29.700 -0.010 0.000 1.055 371 E HN 0.552 nan 8.360 nan 0.000 0.409 372 T N -0.093 114.460 114.554 -0.001 0.000 2.902 372 T HA 0.360 4.591 4.350 -0.198 0.000 0.283 372 T C 0.531 175.261 174.700 0.051 0.000 1.009 372 T CA -1.013 61.121 62.100 0.056 0.000 1.051 372 T CB 1.503 70.378 68.868 0.012 0.000 0.999 372 T HN 0.431 nan 8.240 nan 0.000 0.474 373 T N -0.319 114.276 114.554 0.069 0.000 2.816 373 T HA 0.295 4.526 4.350 -0.198 0.000 0.282 373 T C 1.613 176.324 174.700 0.018 0.000 0.993 373 T CA -0.631 61.492 62.100 0.038 0.000 0.994 373 T CB 0.558 69.449 68.868 0.038 0.000 1.025 373 T HN 0.401 nan 8.240 nan 0.000 0.529 374 V N 1.699 121.619 119.914 0.009 0.000 2.343 374 V HA -0.173 3.828 4.120 -0.198 0.000 0.247 374 V C 2.970 179.060 176.094 -0.007 0.000 1.051 374 V CA 2.026 64.327 62.300 0.003 0.000 1.036 374 V CB -1.367 30.459 31.823 0.005 0.000 0.654 374 V HN 0.904 nan 8.190 nan 0.000 0.451 375 V N -1.162 118.747 119.914 -0.008 0.000 2.490 375 V HA -0.223 3.778 4.120 -0.198 0.000 0.250 375 V C 2.127 178.196 176.094 -0.042 0.000 1.061 375 V CA 2.069 64.356 62.300 -0.023 0.000 1.064 375 V CB -0.855 30.956 31.823 -0.019 0.000 0.670 375 V HN 0.594 nan 8.190 nan 0.000 0.461 376 E N 0.291 120.470 120.200 -0.034 0.000 2.106 376 E HA -0.176 4.055 4.350 -0.198 0.000 0.192 376 E C 2.408 178.955 176.600 -0.089 0.000 0.984 376 E CA 1.236 57.596 56.400 -0.065 0.000 0.806 376 E CB -0.160 29.540 29.700 -0.001 0.000 0.750 376 E HN 0.556 nan 8.360 nan 0.000 0.458 377 R N 1.002 121.464 120.500 -0.064 0.000 2.096 377 R HA -0.078 4.143 4.340 -0.198 0.000 0.235 377 R C 2.106 178.372 176.300 -0.057 0.000 1.127 377 R CA 1.216 57.271 56.100 -0.075 0.000 0.968 377 R CB 0.107 30.386 30.300 -0.035 0.000 0.861 377 R HN -0.017 nan 8.270 nan 0.000 0.440 378 K N 0.236 120.609 120.400 -0.046 0.000 2.147 378 K HA -0.152 4.049 4.320 -0.198 0.000 0.205 378 K C 2.030 178.592 176.600 -0.063 0.000 1.049 378 K CA 1.059 57.320 56.287 -0.042 0.000 0.936 378 K CB -0.117 32.361 32.500 -0.037 0.000 0.722 378 K HN 0.203 nan 8.250 nan 0.000 0.446 379 L N 1.044 122.213 121.223 -0.089 0.000 2.044 379 L HA -0.126 4.095 4.340 -0.198 0.000 0.205 379 L C 2.099 178.906 176.870 -0.106 0.000 1.075 379 L CA 1.169 55.942 54.840 -0.113 0.000 0.747 379 L CB -0.111 41.861 42.059 -0.145 0.000 0.903 379 L HN 0.084 nan 8.230 nan 0.000 0.435 380 I N -0.074 120.430 120.570 -0.110 0.000 2.208 380 I HA -0.320 3.731 4.170 -0.198 0.000 0.245 380 I C 2.718 178.820 176.117 -0.025 0.000 1.097 380 I CA 1.391 62.643 61.300 -0.080 0.000 1.363 380 I CB -0.316 37.596 38.000 -0.146 0.000 1.051 380 I HN 0.315 nan 8.210 nan 0.000 0.413 381 R N 1.574 122.060 120.500 -0.023 0.000 2.090 381 R HA -0.167 4.054 4.340 -0.198 0.000 0.228 381 R C 2.093 178.386 176.300 -0.011 0.000 1.110 381 R CA 1.565 57.666 56.100 0.001 0.000 0.973 381 R CB -0.387 29.915 30.300 0.003 0.000 0.869 381 R HN 0.037 nan 8.270 nan 0.000 0.440 382 K N 0.704 121.083 120.400 -0.034 0.000 2.063 382 K HA -0.082 4.119 4.320 -0.198 0.000 0.208 382 K C 1.968 178.533 176.600 -0.058 0.000 1.048 382 K CA 1.764 58.028 56.287 -0.039 0.000 0.928 382 K CB -0.718 31.748 32.500 -0.057 0.000 0.713 382 K HN 0.333 nan 8.250 nan 0.000 0.442 383 L N -0.301 120.868 121.223 -0.090 0.000 2.017 383 L HA -0.159 4.062 4.340 -0.198 0.000 0.208 383 L C 2.142 178.929 176.870 -0.138 0.000 1.073 383 L CA 1.753 56.495 54.840 -0.163 0.000 0.745 383 L CB -0.642 41.314 42.059 -0.172 0.000 0.894 383 L HN 0.308 nan 8.230 nan 0.000 0.432 384 A N -0.081 122.716 122.820 -0.039 0.000 1.865 384 A HA -0.280 3.921 4.320 -0.198 0.000 0.217 384 A C 2.017 179.637 177.584 0.061 0.000 1.191 384 A CA 2.021 54.080 52.037 0.037 0.000 0.623 384 A CB -0.725 18.326 19.000 0.086 0.000 0.826 384 A HN 0.614 nan 8.150 nan 0.000 0.444 385 E N -0.303 119.924 120.200 0.045 0.000 2.070 385 E HA -0.210 4.021 4.350 -0.198 0.000 0.197 385 E C 2.011 178.635 176.600 0.040 0.000 1.004 385 E CA 1.391 57.828 56.400 0.061 0.000 0.805 385 E CB -0.372 29.352 29.700 0.040 0.000 0.744 385 E HN 0.649 nan 8.360 nan 0.000 0.451 386 L N 0.688 121.900 121.223 -0.019 0.000 2.093 386 L HA -0.153 4.068 4.340 -0.198 0.000 0.208 386 L C 2.718 179.569 176.870 -0.030 0.000 1.085 386 L CA 0.915 55.745 54.840 -0.016 0.000 0.755 386 L CB -0.502 41.513 42.059 -0.073 0.000 0.904 386 L HN 0.151 nan 8.230 nan 0.000 0.435 387 V N -3.295 116.544 119.914 -0.126 0.000 2.535 387 V HA 0.074 4.075 4.120 -0.198 0.000 0.246 387 V C 2.343 178.436 176.094 -0.001 0.000 1.045 387 V CA 1.392 63.634 62.300 -0.098 0.000 1.058 387 V CB -1.394 30.302 31.823 -0.212 0.000 0.689 387 V HN 0.317 nan 8.190 nan 0.000 0.461 388 G N 0.495 109.315 108.800 0.033 0.000 2.446 388 G HA2 -0.239 3.602 3.960 -0.198 0.000 0.217 388 G HA3 -0.239 3.602 3.960 -0.198 0.000 0.217 388 G C 1.583 176.502 174.900 0.032 0.000 1.168 388 G CA 1.766 46.864 45.100 -0.004 0.000 0.771 388 G HN 0.498 nan 8.290 nan 0.000 0.551 389 T N -0.093 114.501 114.554 0.067 0.000 2.821 389 T HA -0.053 4.178 4.350 -0.198 0.000 0.267 389 T C 2.312 177.045 174.700 0.056 0.000 1.046 389 T CA 1.257 63.388 62.100 0.052 0.000 1.139 389 T CB -0.057 68.848 68.868 0.060 0.000 0.871 389 T HN 0.378 nan 8.240 nan 0.000 0.454 390 R N 0.924 121.479 120.500 0.091 0.000 2.090 390 R HA 0.079 4.301 4.340 -0.198 0.000 0.228 390 R C 2.557 178.921 176.300 0.107 0.000 1.110 390 R CA 1.209 57.382 56.100 0.122 0.000 0.973 390 R CB -0.400 30.022 30.300 0.202 0.000 0.869 390 R HN 0.324 nan 8.270 nan 0.000 0.440 391 A N 1.054 123.929 122.820 0.092 0.000 1.902 391 A HA -0.105 4.096 4.320 -0.198 0.000 0.217 391 A C 2.390 180.050 177.584 0.127 0.000 1.181 391 A CA 1.730 53.822 52.037 0.093 0.000 0.623 391 A CB -0.820 18.216 19.000 0.061 0.000 0.818 391 A HN 0.547 nan 8.150 nan 0.000 0.443 392 A N -0.383 122.488 122.820 0.086 0.000 1.930 392 A HA -0.130 4.071 4.320 -0.198 0.000 0.217 392 A C 2.235 179.827 177.584 0.012 0.000 1.175 392 A CA 1.493 53.497 52.037 -0.055 0.000 0.627 392 A CB -0.417 18.331 19.000 -0.419 0.000 0.815 392 A HN 0.552 nan 8.150 nan 0.000 0.443 393 R N -0.526 119.996 120.500 0.037 0.000 2.092 393 R HA 0.023 4.244 4.340 -0.198 0.000 0.231 393 R C 1.951 178.322 176.300 0.117 0.000 1.119 393 R CA 1.337 57.473 56.100 0.060 0.000 0.970 393 R CB -0.440 29.894 30.300 0.055 0.000 0.864 393 R HN 0.493 nan 8.270 nan 0.000 0.440 394 L N -0.276 121.041 121.223 0.156 0.000 2.141 394 L HA -0.120 4.101 4.340 -0.198 0.000 0.209 394 L C 2.179 179.267 176.870 0.365 0.000 1.094 394 L CA 1.105 56.105 54.840 0.266 0.000 0.763 394 L CB -0.480 41.730 42.059 0.253 0.000 0.908 394 L HN 0.209 nan 8.230 nan 0.000 0.437 395 T N -0.235 114.462 114.554 0.237 0.000 2.777 395 T HA -0.137 4.094 4.350 -0.198 0.000 0.266 395 T C 1.862 176.713 174.700 0.252 0.000 1.040 395 T CA 1.608 63.872 62.100 0.273 0.000 1.141 395 T CB -0.157 68.866 68.868 0.258 0.000 0.868 395 T HN 0.346 nan 8.240 nan 0.000 0.444 396 V N -0.340 119.679 119.914 0.175 0.000 3.141 396 V HA -0.058 3.943 4.120 -0.198 0.000 0.265 396 V C 2.299 178.429 176.094 0.060 0.000 1.126 396 V CA 0.850 63.222 62.300 0.122 0.000 1.141 396 V CB -1.673 30.218 31.823 0.113 0.000 0.743 396 V HN 0.532 nan 8.190 nan 0.000 0.492 397 C N 1.742 121.094 119.300 0.086 0.000 2.422 397 C HA 0.051 4.392 4.460 -0.198 0.000 0.279 397 C C 2.966 177.772 174.990 -0.308 0.000 1.305 397 C CA 1.061 60.076 59.018 -0.006 0.000 1.757 397 C CB -1.834 25.995 27.740 0.149 0.000 1.962 397 C HN 0.719 nan 8.230 nan 0.000 0.499 398 G N 0.254 108.827 108.800 -0.379 0.000 2.402 398 G HA2 -0.101 3.740 3.960 -0.198 0.000 0.216 398 G HA3 -0.101 3.740 3.960 -0.198 0.000 0.216 398 G C 1.667 176.255 174.900 -0.521 0.000 1.162 398 G CA 1.140 45.648 45.100 -0.986 0.000 0.777 398 G HN 0.389 nan 8.290 nan 0.000 0.539 399 V N 0.859 120.679 119.914 -0.158 0.000 2.261 399 V HA -0.189 3.812 4.120 -0.198 0.000 0.246 399 V C 3.029 179.099 176.094 -0.040 0.000 1.047 399 V CA 2.303 64.589 62.300 -0.024 0.000 1.015 399 V CB -0.531 31.345 31.823 0.088 0.000 0.642 399 V HN 0.478 nan 8.190 nan 0.000 0.446 400 S N -0.368 115.318 115.700 -0.023 0.000 2.382 400 S HA -0.175 4.176 4.470 -0.198 0.000 0.228 400 S C 2.100 176.640 174.600 -0.100 0.000 1.027 400 S CA 1.596 59.825 58.200 0.048 0.000 0.991 400 S CB -0.324 62.886 63.200 0.017 0.000 0.823 400 S HN 0.608 nan 8.310 nan 0.000 0.469 401 A N 1.176 123.812 122.820 -0.306 0.000 1.902 401 A HA 0.028 4.229 4.320 -0.198 0.000 0.217 401 A C 2.135 179.513 177.584 -0.343 0.000 1.181 401 A CA 1.462 53.274 52.037 -0.376 0.000 0.623 401 A CB -0.730 17.850 19.000 -0.699 0.000 0.818 401 A HN 0.609 nan 8.150 nan 0.000 0.443 402 I N -0.714 119.625 120.570 -0.386 0.000 2.252 402 I HA -0.295 3.756 4.170 -0.198 0.000 0.245 402 I C 2.486 178.430 176.117 -0.288 0.000 1.102 402 I CA 1.030 62.073 61.300 -0.428 0.000 1.385 402 I CB -0.303 37.450 38.000 -0.412 0.000 1.064 402 I HN 0.393 nan 8.210 nan 0.000 0.414 403 C N 0.607 119.855 119.300 -0.087 0.000 2.429 403 C HA -0.177 4.164 4.460 -0.198 0.000 0.277 403 C C 2.412 177.344 174.990 -0.097 0.000 1.262 403 C CA 0.873 59.906 59.018 0.026 0.000 1.733 403 C CB -1.035 26.816 27.740 0.184 0.000 2.010 403 C HN 0.525 nan 8.230 nan 0.000 0.483 404 D N 0.493 120.860 120.400 -0.054 0.000 2.117 404 D HA -0.115 4.406 4.640 -0.198 0.000 0.198 404 D C 2.156 178.374 176.300 -0.137 0.000 0.982 404 D CA 0.973 54.941 54.000 -0.053 0.000 0.828 404 D CB -0.503 40.279 40.800 -0.030 0.000 0.967 404 D HN 0.522 nan 8.370 nan 0.000 0.464 405 K N 0.447 120.729 120.400 -0.196 0.000 2.063 405 K HA -0.116 4.085 4.320 -0.198 0.000 0.208 405 K C 1.553 178.017 176.600 -0.226 0.000 1.048 405 K CA 0.974 57.146 56.287 -0.193 0.000 0.928 405 K CB 0.255 32.615 32.500 -0.234 0.000 0.713 405 K HN -0.093 nan 8.250 nan 0.000 0.442 406 R N -0.640 119.624 120.500 -0.395 0.000 2.317 406 R HA 0.069 4.290 4.340 -0.198 0.000 0.208 406 R C 0.751 176.739 176.300 -0.521 0.000 0.914 406 R CA 0.778 56.555 56.100 -0.538 0.000 1.060 406 R CB 0.069 29.740 30.300 -1.047 0.000 1.015 406 R HN 0.523 nan 8.270 nan 0.000 0.498 407 G N 1.642 110.237 108.800 -0.342 0.000 2.246 407 G HA2 -0.286 3.555 3.960 -0.198 0.000 0.273 407 G HA3 -0.286 3.555 3.960 -0.198 0.000 0.273 407 G C -0.723 174.149 174.900 -0.046 0.000 1.055 407 G CA -0.013 44.998 45.100 -0.147 0.000 0.851 407 G HN 0.219 nan 8.290 nan 0.000 0.500 408 Y N -0.075 120.239 120.300 0.023 0.000 2.452 408 Y HA 0.395 4.823 4.550 -0.204 0.000 0.348 408 Y C 1.553 177.456 175.900 0.005 0.000 0.985 408 Y CA -1.377 56.728 58.100 0.008 0.000 1.214 408 Y CB 1.105 39.571 38.460 0.009 0.000 1.136 408 Y HN 0.123 nan 8.280 nan 0.000 0.523 409 K N 1.083 121.570 120.400 0.146 0.000 2.243 409 K HA 0.029 4.230 4.320 -0.198 0.000 0.201 409 K C 0.369 176.969 176.600 0.001 0.000 1.051 409 K CA 0.943 57.273 56.287 0.071 0.000 0.970 409 K CB 0.318 32.849 32.500 0.052 0.000 0.755 409 K HN 0.745 nan 8.250 nan 0.000 0.465 410 T N -1.867 112.683 114.554 -0.007 0.000 2.916 410 T HA 0.782 5.013 4.350 -0.198 0.000 0.292 410 T C -0.885 173.782 174.700 -0.055 0.000 1.055 410 T CA -1.021 61.038 62.100 -0.069 0.000 1.009 410 T CB 2.422 71.223 68.868 -0.113 0.000 1.118 410 T HN 0.054 nan 8.240 nan 0.000 0.497 411 A N 1.059 123.854 122.820 -0.040 0.000 2.590 411 A HA 0.558 4.759 4.320 -0.198 0.000 0.296 411 A C -1.368 176.294 177.584 0.129 0.000 1.050 411 A CA -0.923 51.092 52.037 -0.036 0.000 0.697 411 A CB 0.561 19.560 19.000 -0.002 0.000 1.277 411 A HN 1.022 nan 8.150 nan 0.000 0.411 412 H N 1.793 120.818 119.070 -0.076 0.000 2.489 412 H HA 0.448 4.894 4.556 -0.183 0.000 0.322 412 H C -0.581 174.734 175.328 -0.022 0.000 1.091 412 H CA -0.677 55.348 56.048 -0.038 0.000 1.291 412 H CB 1.252 30.989 29.762 -0.041 0.000 1.436 412 H HN 0.416 nan 8.280 nan 0.000 0.480 413 I N 3.028 123.651 120.570 0.089 0.000 2.330 413 I HA 0.172 4.223 4.170 -0.198 0.000 0.286 413 I C 0.469 176.571 176.117 -0.024 0.000 1.025 413 I CA -0.482 60.846 61.300 0.047 0.000 1.197 413 I CB 0.517 38.553 38.000 0.059 0.000 1.358 413 I HN 0.581 nan 8.210 nan 0.000 0.467 414 A N 5.955 128.767 122.820 -0.013 0.000 2.395 414 A HA 0.684 4.885 4.320 -0.198 0.000 0.286 414 A C 0.409 177.903 177.584 -0.150 0.000 1.193 414 A CA -0.244 51.761 52.037 -0.054 0.000 0.852 414 A CB 0.060 19.068 19.000 0.014 0.000 1.118 414 A HN 0.821 nan 8.150 nan 0.000 0.524 415 A N 2.797 125.403 122.820 -0.357 0.000 2.340 415 A HA 0.804 5.005 4.320 -0.198 0.000 0.331 415 A C -0.517 176.818 177.584 -0.415 0.000 1.140 415 A CA -0.465 51.228 52.037 -0.573 0.000 0.801 415 A CB 1.277 19.469 19.000 -1.346 0.000 1.234 415 A HN 0.795 nan 8.150 nan 0.000 0.469 416 D N -1.107 119.183 120.400 -0.184 0.000 2.664 416 D HA 0.669 5.190 4.640 -0.198 0.000 0.292 416 D C -0.251 176.097 176.300 0.080 0.000 1.214 416 D CA 0.939 54.956 54.000 0.027 0.000 0.932 416 D CB 1.958 42.771 40.800 0.022 0.000 1.420 416 D HN 1.748 nan 8.370 nan 0.000 0.471 417 G N -0.488 108.375 108.800 0.105 0.000 2.587 417 G HA2 0.034 3.875 3.960 -0.198 0.000 0.686 417 G HA3 0.034 3.875 3.960 -0.198 0.000 0.686 417 G C 0.751 175.703 174.900 0.087 0.000 1.236 417 G CA 0.488 45.633 45.100 0.075 0.000 0.820 417 G HN 0.847 nan 8.290 nan 0.000 0.645 418 S N -0.930 114.802 115.700 0.053 0.000 2.400 418 S HA -0.140 4.211 4.470 -0.198 0.000 0.232 418 S C 2.275 176.893 174.600 0.030 0.000 1.025 418 S CA 2.321 60.549 58.200 0.047 0.000 0.993 418 S CB -0.208 63.020 63.200 0.047 0.000 0.808 418 S HN 1.371 nan 8.310 nan 0.000 0.478 419 V N 0.906 120.803 119.914 -0.028 0.000 2.273 419 V HA -0.013 3.988 4.120 -0.198 0.000 0.242 419 V C 2.058 177.981 176.094 -0.286 0.000 1.035 419 V CA 1.748 63.942 62.300 -0.177 0.000 1.013 419 V CB -1.034 30.569 31.823 -0.367 0.000 0.652 419 V HN 0.510 nan 8.190 nan 0.000 0.452 420 F N 1.987 121.718 119.950 -0.364 0.000 2.091 420 F HA -0.228 4.182 4.527 -0.195 0.000 0.299 420 F C 2.292 178.105 175.800 0.021 0.000 1.103 420 F CA 2.115 60.035 58.000 -0.134 0.000 1.228 420 F CB -0.339 38.673 39.000 0.020 0.000 0.984 420 F HN 0.186 nan 8.300 nan 0.000 0.477 421 N N 0.075 118.810 118.700 0.058 0.000 2.270 421 N HA -0.044 4.577 4.740 -0.198 0.000 0.181 421 N C 1.547 177.022 175.510 -0.058 0.000 1.016 421 N CA 1.226 54.267 53.050 -0.014 0.000 0.870 421 N CB -0.148 38.394 38.487 0.091 0.000 0.979 421 N HN 0.426 nan 8.380 nan 0.000 0.431 422 R N -1.815 118.674 120.500 -0.019 0.000 2.568 422 R HA 0.126 4.347 4.340 -0.198 0.000 0.254 422 R C -0.315 175.982 176.300 -0.005 0.000 0.925 422 R CA -0.350 55.742 56.100 -0.013 0.000 1.025 422 R CB 0.468 30.770 30.300 0.004 0.000 1.428 422 R HN 0.081 nan 8.270 nan 0.000 0.573 423 Y N 4.308 124.577 120.300 -0.051 0.000 2.465 423 Y HA 0.125 4.556 4.550 -0.199 0.000 0.331 423 Y C -2.210 173.724 175.900 0.056 0.000 1.102 423 Y CA -2.268 55.835 58.100 0.005 0.000 1.358 423 Y CB 0.630 39.089 38.460 -0.002 0.000 1.213 423 Y HN -0.106 nan 8.280 nan 0.000 0.525 424 P HA 0.114 nan 4.420 nan 0.000 0.267 424 P C 0.342 177.641 177.300 -0.002 0.000 1.209 424 P CA 1.342 64.308 63.100 -0.223 0.000 0.763 424 P CB 0.556 32.059 31.700 -0.329 0.000 0.816 425 G N 2.467 111.285 108.800 0.029 0.000 2.168 425 G HA2 -0.376 3.465 3.960 -0.198 0.000 0.257 425 G HA3 -0.376 3.465 3.960 -0.198 0.000 0.257 425 G C 0.783 175.773 174.900 0.150 0.000 0.997 425 G CA 0.406 45.547 45.100 0.068 0.000 0.708 425 G HN 0.532 nan 8.290 nan 0.000 0.520 426 Y N 0.594 120.957 120.300 0.105 0.000 2.242 426 Y HA -0.012 4.418 4.550 -0.200 0.000 0.291 426 Y C 2.677 178.626 175.900 0.082 0.000 1.137 426 Y CA 2.477 60.666 58.100 0.147 0.000 1.181 426 Y CB -0.124 38.440 38.460 0.174 0.000 0.989 426 Y HN 0.358 nan 8.280 nan 0.000 0.527 427 K N -0.192 120.254 120.400 0.077 0.000 2.057 427 K HA -0.192 4.009 4.320 -0.198 0.000 0.207 427 K C 1.824 178.430 176.600 0.010 0.000 1.049 427 K CA 1.780 58.088 56.287 0.035 0.000 0.931 427 K CB -0.092 32.383 32.500 -0.042 0.000 0.714 427 K HN 0.225 nan 8.250 nan 0.000 0.440 428 E N 0.989 121.189 120.200 -0.001 0.000 2.051 428 E HA -0.162 4.069 4.350 -0.198 0.000 0.192 428 E C 1.716 178.318 176.600 0.003 0.000 0.991 428 E CA 1.429 57.832 56.400 0.006 0.000 0.799 428 E CB 0.008 29.713 29.700 0.009 0.000 0.748 428 E HN 0.200 nan 8.360 nan 0.000 0.449 429 K N 0.217 120.591 120.400 -0.043 0.000 2.026 429 K HA -0.065 4.136 4.320 -0.198 0.000 0.208 429 K C 2.177 178.715 176.600 -0.104 0.000 1.048 429 K CA 1.299 57.538 56.287 -0.079 0.000 0.929 429 K CB -0.246 32.173 32.500 -0.136 0.000 0.713 429 K HN 0.126 nan 8.250 nan 0.000 0.439 430 A N 1.479 124.182 122.820 -0.196 0.000 1.902 430 A HA -0.120 4.081 4.320 -0.198 0.000 0.217 430 A C 2.381 180.012 177.584 0.079 0.000 1.181 430 A CA 1.890 53.871 52.037 -0.093 0.000 0.623 430 A CB -0.766 18.194 19.000 -0.068 0.000 0.818 430 A HN 0.341 nan 8.150 nan 0.000 0.443 431 A N -1.071 121.824 122.820 0.125 0.000 1.930 431 A HA -0.154 4.047 4.320 -0.198 0.000 0.217 431 A C 2.146 179.929 177.584 0.331 0.000 1.175 431 A CA 2.037 54.240 52.037 0.277 0.000 0.627 431 A CB -0.473 18.621 19.000 0.157 0.000 0.815 431 A HN 0.533 nan 8.150 nan 0.000 0.443 432 Q N -0.028 119.886 119.800 0.190 0.000 2.079 432 Q HA -0.014 4.207 4.340 -0.198 0.000 0.200 432 Q C 2.032 178.081 176.000 0.082 0.000 0.974 432 Q CA 2.056 57.949 55.803 0.150 0.000 0.840 432 Q CB -0.603 28.188 28.738 0.089 0.000 0.898 432 Q HN 0.546 nan 8.270 nan 0.000 0.430 433 A N 0.231 123.085 122.820 0.057 0.000 1.883 433 A HA -0.163 4.038 4.320 -0.198 0.000 0.217 433 A C 2.128 179.711 177.584 -0.003 0.000 1.186 433 A CA 1.558 53.607 52.037 0.020 0.000 0.624 433 A CB -0.911 18.101 19.000 0.020 0.000 0.822 433 A HN 0.458 nan 8.150 nan 0.000 0.444 434 L N -0.636 120.621 121.223 0.057 0.000 2.042 434 L HA -0.233 3.988 4.340 -0.198 0.000 0.210 434 L C 2.666 179.332 176.870 -0.340 0.000 1.076 434 L CA 2.045 56.894 54.840 0.015 0.000 0.749 434 L CB -0.405 41.806 42.059 0.253 0.000 0.893 434 L HN 0.477 nan 8.230 nan 0.000 0.432 435 K N -0.077 120.195 120.400 -0.213 0.000 2.097 435 K HA -0.201 4.000 4.320 -0.198 0.000 0.206 435 K C 1.638 178.068 176.600 -0.283 0.000 1.049 435 K CA 1.666 57.763 56.287 -0.317 0.000 0.933 435 K CB 0.022 32.506 32.500 -0.026 0.000 0.717 435 K HN 0.247 nan 8.250 nan 0.000 0.442 436 D N 0.772 121.075 120.400 -0.162 0.000 2.144 436 D HA -0.126 4.395 4.640 -0.198 0.000 0.200 436 D C 1.900 178.067 176.300 -0.221 0.000 0.978 436 D CA 1.004 54.919 54.000 -0.142 0.000 0.833 436 D CB -0.048 40.707 40.800 -0.075 0.000 0.961 436 D HN 0.302 nan 8.370 nan 0.000 0.470 437 I N -0.448 119.947 120.570 -0.292 0.000 2.252 437 I HA -0.266 3.785 4.170 -0.198 0.000 0.245 437 I C 1.741 177.497 176.117 -0.603 0.000 1.102 437 I CA 1.096 62.141 61.300 -0.425 0.000 1.385 437 I CB -0.162 37.536 38.000 -0.504 0.000 1.064 437 I HN 0.011 nan 8.210 nan 0.000 0.414 438 Y N 0.274 120.199 120.300 -0.625 0.000 2.510 438 Y HA 0.106 4.539 4.550 -0.194 0.000 0.273 438 Y C 0.626 176.199 175.900 -0.545 0.000 1.119 438 Y CA -0.027 57.642 58.100 -0.718 0.000 1.286 438 Y CB -0.299 37.295 38.460 -1.443 0.000 1.061 438 Y HN 0.208 nan 8.280 nan 0.000 0.542 439 N N -1.073 117.423 118.700 -0.340 0.000 2.738 439 N HA -0.197 4.424 4.740 -0.198 0.000 0.249 439 N C -1.347 174.157 175.510 -0.011 0.000 1.047 439 N CA -0.003 52.961 53.050 -0.142 0.000 0.707 439 N CB -0.927 37.514 38.487 -0.077 0.000 0.937 439 N HN 0.256 nan 8.380 nan 0.000 0.545 440 W N 0.764 122.068 121.300 0.008 0.000 2.210 440 W HA 0.118 4.659 4.660 -0.199 0.000 0.330 440 W C 0.997 177.500 176.519 -0.026 0.000 1.334 440 W CA -0.154 57.174 57.345 -0.028 0.000 1.227 440 W CB 0.106 29.498 29.460 -0.113 0.000 1.178 440 W HN 0.109 nan 8.180 nan 0.000 0.560 441 D N 2.736 123.271 120.400 0.224 0.000 2.558 441 D HA 0.309 4.830 4.640 -0.198 0.000 0.221 441 D C -0.924 175.443 176.300 0.111 0.000 1.143 441 D CA 0.176 54.255 54.000 0.132 0.000 1.010 441 D CB -0.065 40.790 40.800 0.091 0.000 1.068 441 D HN -0.078 nan 8.370 nan 0.000 0.511 442 V N 2.628 122.622 119.914 0.133 0.000 2.841 442 V HA 0.236 4.237 4.120 -0.198 0.000 0.310 442 V C 0.845 177.029 176.094 0.150 0.000 1.090 442 V CA -0.661 61.710 62.300 0.118 0.000 0.930 442 V CB 2.305 34.198 31.823 0.117 0.000 1.014 442 V HN 0.272 nan 8.190 nan 0.000 0.425 443 E N 1.721 121.992 120.200 0.119 0.000 2.307 443 E HA 0.171 4.402 4.350 -0.198 0.000 0.195 443 E C -0.108 176.559 176.600 0.111 0.000 0.975 443 E CA 0.330 56.793 56.400 0.104 0.000 0.878 443 E CB 0.686 30.423 29.700 0.062 0.000 0.845 443 E HN 0.485 nan 8.360 nan 0.000 0.488 444 K N 0.855 121.316 120.400 0.101 0.000 2.375 444 K HA 0.282 4.483 4.320 -0.198 0.000 0.249 444 K C 0.814 177.366 176.600 -0.080 0.000 0.942 444 K CA -0.281 56.022 56.287 0.027 0.000 0.806 444 K CB 1.764 34.261 32.500 -0.004 0.000 1.227 444 K HN -0.040 nan 8.250 nan 0.000 0.430 445 M N 1.001 120.448 119.600 -0.255 0.000 2.213 445 M HA -0.136 4.225 4.480 -0.198 0.000 0.263 445 M C 1.411 177.442 176.300 -0.448 0.000 1.062 445 M CA 1.708 56.584 55.300 -0.707 0.000 1.105 445 M CB -0.479 31.840 32.600 -0.469 0.000 1.385 445 M HN 0.675 nan 8.290 nan 0.000 0.417 446 E N 0.587 120.665 120.200 -0.204 0.000 2.331 446 E HA -0.203 4.028 4.350 -0.198 0.000 0.199 446 E C 0.285 176.830 176.600 -0.090 0.000 1.008 446 E CA 1.371 57.698 56.400 -0.122 0.000 0.843 446 E CB -0.403 29.253 29.700 -0.072 0.000 0.761 446 E HN 0.572 nan 8.360 nan 0.000 0.507 447 D N 0.352 120.706 120.400 -0.076 0.000 2.402 447 D HA 0.082 4.603 4.640 -0.198 0.000 0.216 447 D C -0.425 175.853 176.300 -0.036 0.000 1.128 447 D CA -0.059 53.920 54.000 -0.036 0.000 0.833 447 D CB -0.125 40.669 40.800 -0.009 0.000 0.971 447 D HN 0.353 nan 8.370 nan 0.000 0.503 448 H N 0.967 119.907 119.070 -0.218 0.000 2.929 448 H HA 0.019 4.455 4.556 -0.200 0.000 0.317 448 H C -1.258 173.691 175.328 -0.631 0.000 1.031 448 H CA -1.455 54.297 56.048 -0.492 0.000 1.466 448 H CB 1.364 30.983 29.762 -0.238 0.000 1.482 448 H HN -0.108 nan 8.280 nan 0.000 0.561 449 P HA -0.172 nan 4.420 nan 0.000 0.216 449 P C 0.063 177.141 177.300 -0.369 0.000 1.153 449 P CA 1.475 64.192 63.100 -0.639 0.000 0.858 449 P CB 0.340 31.549 31.700 -0.819 0.000 0.789 450 I N -0.267 120.077 120.570 -0.377 0.000 2.378 450 I HA 0.261 4.312 4.170 -0.198 0.000 0.291 450 I C 0.122 176.327 176.117 0.148 0.000 0.992 450 I CA -0.621 60.690 61.300 0.019 0.000 1.154 450 I CB 1.360 39.452 38.000 0.153 0.000 1.315 450 I HN -0.043 nan 8.210 nan 0.000 0.448 451 Q N 5.718 125.590 119.800 0.120 0.000 2.377 451 Q HA 0.620 4.841 4.340 -0.198 0.000 0.279 451 Q C -1.860 174.170 176.000 0.050 0.000 1.049 451 Q CA -1.094 54.769 55.803 0.100 0.000 0.825 451 Q CB 2.437 31.178 28.738 0.006 0.000 1.401 451 Q HN 0.338 nan 8.270 nan 0.000 0.404 452 L N 2.133 123.414 121.223 0.097 0.000 2.326 452 L HA 0.603 4.824 4.340 -0.198 0.000 0.278 452 L C -0.215 176.695 176.870 0.067 0.000 1.092 452 L CA -0.192 54.691 54.840 0.073 0.000 0.810 452 L CB 1.656 43.831 42.059 0.194 0.000 1.153 452 L HN 0.636 nan 8.230 nan 0.000 0.439 453 V N 0.455 120.349 119.914 -0.034 0.000 3.040 453 V HA 0.917 4.918 4.120 -0.198 0.000 0.312 453 V C -0.006 176.113 176.094 0.041 0.000 1.115 453 V CA -1.235 61.081 62.300 0.027 0.000 0.998 453 V CB 1.602 33.347 31.823 -0.130 0.000 1.042 453 V HN 0.886 nan 8.190 nan 0.000 0.433 454 A N 2.352 125.294 122.820 0.204 0.000 2.548 454 A HA 0.684 4.885 4.320 -0.198 0.000 0.247 454 A C 0.786 178.424 177.584 0.090 0.000 1.067 454 A CA 0.506 52.683 52.037 0.233 0.000 0.757 454 A CB -0.460 18.688 19.000 0.246 0.000 0.996 454 A HN 2.248 nan 8.150 nan 0.000 0.504 455 A N 2.907 125.752 122.820 0.042 0.000 2.296 455 A HA 0.554 4.755 4.320 -0.198 0.000 0.264 455 A C 0.533 178.171 177.584 0.089 0.000 1.097 455 A CA -0.505 51.556 52.037 0.040 0.000 0.811 455 A CB 0.134 19.134 19.000 -0.001 0.000 1.072 455 A HN 0.840 nan 8.150 nan 0.000 0.495 456 E N 0.261 120.522 120.200 0.100 0.000 2.351 456 E HA 0.111 4.342 4.350 -0.198 0.000 0.255 456 E C -0.725 175.913 176.600 0.065 0.000 1.188 456 E CA -0.374 56.100 56.400 0.123 0.000 0.940 456 E CB 0.412 30.204 29.700 0.154 0.000 1.094 456 E HN 0.636 nan 8.360 nan 0.000 0.474 457 D N 0.055 120.484 120.400 0.050 0.000 2.346 457 D HA 0.047 4.568 4.640 -0.198 0.000 0.267 457 D C 1.019 177.304 176.300 -0.024 0.000 1.320 457 D CA 0.206 54.215 54.000 0.016 0.000 0.951 457 D CB 0.298 41.106 40.800 0.013 0.000 1.079 457 D HN 0.471 nan 8.370 nan 0.000 0.509 458 G N 2.397 111.192 108.800 -0.010 0.000 2.403 458 G HA2 -0.204 3.637 3.960 -0.198 0.000 0.216 458 G HA3 -0.204 3.637 3.960 -0.198 0.000 0.216 458 G C 1.395 176.280 174.900 -0.026 0.000 1.154 458 G CA 0.738 45.824 45.100 -0.023 0.000 0.784 458 G HN 0.557 nan 8.290 nan 0.000 0.538 459 S N -0.122 115.572 115.700 -0.010 0.000 2.496 459 S HA 0.292 4.643 4.470 -0.198 0.000 0.224 459 S C 1.978 176.587 174.600 0.015 0.000 0.996 459 S CA 0.979 59.184 58.200 0.009 0.000 0.927 459 S CB 0.262 63.475 63.200 0.022 0.000 0.774 459 S HN 0.406 nan 8.310 nan 0.000 0.524 460 G N 1.490 110.282 108.800 -0.013 0.000 2.728 460 G HA2 0.175 4.016 3.960 -0.198 0.000 0.223 460 G HA3 0.175 4.016 3.960 -0.198 0.000 0.223 460 G C 1.210 176.059 174.900 -0.085 0.000 1.379 460 G CA 0.475 45.557 45.100 -0.031 0.000 0.870 460 G HN 0.302 nan 8.290 nan 0.000 0.591 461 V N 2.024 121.845 119.914 -0.155 0.000 2.287 461 V HA -0.102 3.899 4.120 -0.198 0.000 0.248 461 V C 3.139 179.086 176.094 -0.244 0.000 1.053 461 V CA 2.352 64.468 62.300 -0.307 0.000 1.027 461 V CB -1.108 30.371 31.823 -0.572 0.000 0.646 461 V HN 0.457 nan 8.190 nan 0.000 0.447 462 G N -0.575 108.132 108.800 -0.156 0.000 2.418 462 G HA2 -0.204 3.637 3.960 -0.198 0.000 0.217 462 G HA3 -0.204 3.637 3.960 -0.198 0.000 0.217 462 G C 1.758 176.606 174.900 -0.086 0.000 1.158 462 G CA 1.024 46.060 45.100 -0.107 0.000 0.771 462 G HN 0.628 nan 8.290 nan 0.000 0.545 463 A N 0.991 123.779 122.820 -0.053 0.000 1.933 463 A HA 0.307 4.508 4.320 -0.198 0.000 0.218 463 A C 2.754 180.320 177.584 -0.030 0.000 1.175 463 A CA 2.161 54.189 52.037 -0.014 0.000 0.628 463 A CB -0.597 18.429 19.000 0.043 0.000 0.814 463 A HN 0.738 nan 8.150 nan 0.000 0.444 464 A N -0.156 122.630 122.820 -0.056 0.000 1.929 464 A HA 0.050 4.251 4.320 -0.198 0.000 0.216 464 A C 2.059 179.538 177.584 -0.176 0.000 1.176 464 A CA 1.257 53.273 52.037 -0.036 0.000 0.628 464 A CB -0.488 18.518 19.000 0.010 0.000 0.816 464 A HN 0.486 nan 8.150 nan 0.000 0.444 465 I N -0.350 120.075 120.570 -0.242 0.000 2.315 465 I HA -0.209 3.842 4.170 -0.198 0.000 0.248 465 I C 2.174 178.137 176.117 -0.257 0.000 1.117 465 I CA 1.087 62.187 61.300 -0.333 0.000 1.404 465 I CB -0.349 37.457 38.000 -0.323 0.000 1.071 465 I HN 0.266 nan 8.210 nan 0.000 0.419 466 I N 1.077 121.557 120.570 -0.151 0.000 2.286 466 I HA -0.276 3.775 4.170 -0.198 0.000 0.248 466 I C 2.807 178.852 176.117 -0.120 0.000 1.115 466 I CA 1.264 62.506 61.300 -0.097 0.000 1.392 466 I CB -0.397 37.575 38.000 -0.046 0.000 1.065 466 I HN 0.186 nan 8.210 nan 0.000 0.418 467 A N -0.210 122.531 122.820 -0.132 0.000 1.898 467 A HA -0.271 3.930 4.320 -0.198 0.000 0.216 467 A C 2.545 179.980 177.584 -0.249 0.000 1.181 467 A CA 1.715 53.700 52.037 -0.088 0.000 0.620 467 A CB -1.260 17.761 19.000 0.035 0.000 0.819 467 A HN 0.619 nan 8.150 nan 0.000 0.442 468 C N -0.202 118.684 119.300 -0.689 0.000 2.413 468 C HA -0.116 4.225 4.460 -0.198 0.000 0.277 468 C C 2.610 177.352 174.990 -0.413 0.000 1.228 468 C CA 1.360 59.705 59.018 -1.121 0.000 1.731 468 C CB -1.588 25.293 27.740 -1.432 0.000 2.042 468 C HN 0.590 nan 8.230 nan 0.000 0.468 469 L N 0.410 121.473 121.223 -0.268 0.000 2.012 469 L HA -0.157 4.064 4.340 -0.198 0.000 0.210 469 L C 2.820 179.651 176.870 -0.065 0.000 1.073 469 L CA 2.350 57.121 54.840 -0.114 0.000 0.748 469 L CB -1.331 40.692 42.059 -0.060 0.000 0.891 469 L HN 0.423 nan 8.230 nan 0.000 0.431 470 T N -1.219 113.299 114.554 -0.061 0.000 2.708 470 T HA -0.282 3.949 4.350 -0.198 0.000 0.266 470 T C 1.796 176.490 174.700 -0.010 0.000 1.037 470 T CA 1.694 63.781 62.100 -0.022 0.000 1.146 470 T CB -0.223 68.638 68.868 -0.011 0.000 0.865 470 T HN 0.225 nan 8.240 nan 0.000 0.435 471 Q N 1.701 121.498 119.800 -0.005 0.000 2.096 471 Q HA -0.100 4.121 4.340 -0.198 0.000 0.204 471 Q C 2.133 178.156 176.000 0.038 0.000 0.982 471 Q CA 1.857 57.685 55.803 0.043 0.000 0.850 471 Q CB -0.339 28.477 28.738 0.131 0.000 0.901 471 Q HN 0.542 nan 8.270 nan 0.000 0.422 472 K N -0.355 120.059 120.400 0.023 0.000 2.063 472 K HA -0.199 4.002 4.320 -0.198 0.000 0.208 472 K C 2.105 178.714 176.600 0.015 0.000 1.048 472 K CA 1.444 57.746 56.287 0.026 0.000 0.928 472 K CB -0.076 32.432 32.500 0.013 0.000 0.713 472 K HN 0.180 nan 8.250 nan 0.000 0.442 473 R N 0.435 120.939 120.500 0.006 0.000 2.062 473 R HA -0.050 4.171 4.340 -0.198 0.000 0.231 473 R C 2.513 178.813 176.300 0.000 0.000 1.136 473 R CA 1.542 57.645 56.100 0.004 0.000 0.948 473 R CB -0.456 29.846 30.300 0.004 0.000 0.845 473 R HN 0.213 nan 8.270 nan 0.000 0.430 474 L N 0.368 121.590 121.223 -0.001 0.000 2.013 474 L HA -0.224 3.997 4.340 -0.198 0.000 0.212 474 L C 2.693 179.563 176.870 -0.001 0.000 1.073 474 L CA 1.482 56.318 54.840 -0.006 0.000 0.753 474 L CB -0.692 41.364 42.059 -0.005 0.000 0.890 474 L HN 0.290 nan 8.230 nan 0.000 0.432 475 A N -0.211 122.615 122.820 0.010 0.000 1.972 475 A HA -0.080 4.121 4.320 -0.198 0.000 0.219 475 A C 2.365 179.953 177.584 0.008 0.000 1.169 475 A CA 1.625 53.669 52.037 0.012 0.000 0.635 475 A CB -0.517 18.497 19.000 0.024 0.000 0.810 475 A HN 0.422 nan 8.150 nan 0.000 0.446 476 A N -1.794 121.030 122.820 0.007 0.000 2.218 476 A HA 0.418 4.619 4.320 -0.198 0.000 0.209 476 A C 1.719 179.302 177.584 -0.001 0.000 1.168 476 A CA 1.133 53.173 52.037 0.005 0.000 0.804 476 A CB -0.853 18.152 19.000 0.008 0.000 0.834 476 A HN 1.883 nan 8.150 nan 0.000 0.482 477 G N -0.197 108.600 108.800 -0.005 0.000 2.198 477 G HA2 -0.253 3.588 3.960 -0.198 0.000 0.257 477 G HA3 -0.253 3.588 3.960 -0.198 0.000 0.257 477 G C -0.020 174.873 174.900 -0.011 0.000 1.042 477 G CA 0.548 45.642 45.100 -0.011 0.000 0.791 477 G HN 0.585 nan 8.290 nan 0.000 0.502 478 K N 0.533 120.928 120.400 -0.008 0.000 2.130 478 K HA 0.554 4.755 4.320 -0.198 0.000 0.268 478 K C 0.625 177.218 176.600 -0.012 0.000 0.983 478 K CA -0.484 55.800 56.287 -0.005 0.000 0.893 478 K CB 1.182 33.684 32.500 0.003 0.000 1.066 478 K HN 0.167 nan 8.250 nan 0.000 0.450 479 S N 0.784 116.476 115.700 -0.013 0.000 2.579 479 S HA 0.073 4.424 4.470 -0.198 0.000 0.275 479 S C 0.597 175.187 174.600 -0.017 0.000 1.345 479 S CA -0.738 57.443 58.200 -0.033 0.000 1.031 479 S CB 0.783 63.965 63.200 -0.030 0.000 0.892 479 S HN 0.555 nan 8.310 nan 0.000 0.529 480 V N -1.435 118.433 119.914 -0.076 0.000 3.047 480 V HA 0.757 4.758 4.120 -0.198 0.000 0.374 480 V C 0.259 176.151 176.094 -0.335 0.000 1.399 480 V CA 0.174 62.443 62.300 -0.053 0.000 1.251 480 V CB -0.255 31.544 31.823 -0.040 0.000 1.228 480 V HN 0.983 nan 8.190 nan 0.000 0.589 481 G N 0.715 109.182 108.800 -0.554 0.000 2.430 481 G HA2 0.546 4.387 3.960 -0.198 0.000 0.300 481 G HA3 0.546 4.387 3.960 -0.198 0.000 0.300 481 G C -0.952 173.499 174.900 -0.749 0.000 1.330 481 G CA -0.330 44.002 45.100 -1.281 0.000 0.813 481 G HN 0.813 nan 8.290 nan 0.000 0.487 482 I N -1.418 118.773 120.570 -0.632 0.000 2.945 482 I HA 0.505 4.556 4.170 -0.198 0.000 0.292 482 I C 0.346 176.376 176.117 -0.145 0.000 1.093 482 I CA -0.832 60.351 61.300 -0.194 0.000 1.336 482 I CB 0.519 38.483 38.000 -0.060 0.000 1.435 482 I HN 0.350 nan 8.210 nan 0.000 0.593 483 K N 2.713 123.075 120.400 -0.063 0.000 2.524 483 K HA 0.173 4.374 4.320 -0.198 0.000 0.279 483 K C 1.044 177.606 176.600 -0.064 0.000 0.993 483 K CA 0.868 57.124 56.287 -0.053 0.000 1.030 483 K CB 0.068 32.554 32.500 -0.023 0.000 0.891 483 K HN 1.058 nan 8.250 nan 0.000 0.488 484 G N 1.490 110.251 108.800 -0.065 0.000 2.304 484 G HA2 -0.247 3.594 3.960 -0.198 0.000 0.252 484 G HA3 -0.247 3.594 3.960 -0.198 0.000 0.252 484 G C 0.201 175.053 174.900 -0.080 0.000 1.014 484 G CA 0.046 45.110 45.100 -0.061 0.000 0.619 484 G HN 0.603 nan 8.290 nan 0.000 0.525 485 E N 0.000 120.132 120.200 -0.113 0.000 2.725 485 E HA 0.000 4.231 4.350 -0.198 0.000 0.291 485 E CA 0.000 56.321 56.400 -0.132 0.000 0.976 485 E CB 0.000 29.591 29.700 -0.181 0.000 0.812 485 E HN 0.000 nan 8.360 nan 0.000 0.440