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 2xu7_1_A DATA FIRST_RESID 16 DATA SEQUENCE VINEEYKIWK KNTPFLYDLV MTHALEWPSL TAQWLPDVTX XXXXXFSIHR DATA SEQUENCE LVLGTHTSDE QNHLVIASVQ LPNXXXXXXX XXXXXXXXXX XXXXXXXXKI DATA SEQUENCE EIEIKINHEG EVNRARYMPQ NPCIIATKTP SSDVLVFDYT KHPSKPDPSG DATA SEQUENCE ECNPDLRLRG HQKEGYGLSW NPNLSGHLLS ASDDHTICLW DISAVPKEGK DATA SEQUENCE VVDAKTIFTG HTAVVEDVSW HLLHESLFGS VADDQKLMIW DTRSNNTSKP DATA SEQUENCE SHSVDAHTAE VNCLSFNPYS EFILATGSAD KTVALWDLRN LKLKLHSFES DATA SEQUENCE HKDEIFQVQW SPHNETILAS SGTDRRLNVW DLSKIGEEQS XXXXEDGPPE DATA SEQUENCE LLFIHGGHTA KISDFSWNPN EPWVICSVSE DNIMQVWQMA ENIYN 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 16 V HA 0.000 nan 4.120 nan 0.000 0.244 16 V C 0.000 176.103 176.094 0.015 0.000 1.182 16 V CA 0.000 62.306 62.300 0.010 0.000 1.235 16 V CB 0.000 31.826 31.823 0.004 0.000 1.184 17 I N 1.361 121.935 120.570 0.005 0.000 2.145 17 I HA -0.292 3.878 4.170 -0.000 0.000 0.244 17 I C 2.356 178.496 176.117 0.038 0.000 1.075 17 I CA 2.502 63.803 61.300 0.002 0.000 1.332 17 I CB -0.218 37.764 38.000 -0.029 0.000 1.033 17 I HN 0.705 nan 8.210 nan 0.000 0.410 18 N N 0.676 119.396 118.700 0.033 0.000 2.149 18 N HA -0.211 4.529 4.740 -0.000 0.000 0.188 18 N C 1.890 177.469 175.510 0.116 0.000 1.019 18 N CA 2.001 55.096 53.050 0.075 0.000 0.857 18 N CB 0.096 38.608 38.487 0.041 0.000 0.997 18 N HN 0.539 nan 8.380 nan 0.000 0.426 19 E N 1.210 121.453 120.200 0.072 0.000 2.046 19 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 19 E C 1.804 178.447 176.600 0.071 0.000 0.982 19 E CA 1.111 57.548 56.400 0.061 0.000 0.800 19 E CB -0.723 28.997 29.700 0.034 0.000 0.756 19 E HN 0.552 nan 8.360 nan 0.000 0.449 20 E N -1.005 119.237 120.200 0.070 0.000 2.049 20 E HA -0.179 4.170 4.350 -0.000 0.000 0.198 20 E C 2.054 178.732 176.600 0.130 0.000 1.007 20 E CA 1.454 57.896 56.400 0.070 0.000 0.809 20 E CB -0.347 29.376 29.700 0.037 0.000 0.749 20 E HN 0.651 nan 8.360 nan 0.000 0.450 21 Y N 1.294 121.607 120.300 0.022 0.000 2.151 21 Y HA -0.329 4.221 4.550 -0.000 0.000 0.284 21 Y C 2.454 178.448 175.900 0.157 0.000 1.166 21 Y CA 2.620 60.762 58.100 0.070 0.000 1.163 21 Y CB -0.520 37.942 38.460 0.003 0.000 0.974 21 Y HN -0.033 nan 8.280 nan 0.000 0.511 22 K N 0.497 120.931 120.400 0.056 0.000 2.057 22 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 22 K C 1.991 178.558 176.600 -0.055 0.000 1.049 22 K CA 2.052 58.320 56.287 -0.033 0.000 0.931 22 K CB -1.425 31.094 32.500 0.031 0.000 0.714 22 K HN 0.591 nan 8.250 nan 0.000 0.440 23 I N -1.741 118.830 120.570 0.002 0.000 2.394 23 I HA -0.133 4.037 4.170 -0.000 0.000 0.251 23 I C 2.534 178.655 176.117 0.007 0.000 1.136 23 I CA 1.189 62.489 61.300 0.001 0.000 1.425 23 I CB -0.180 37.830 38.000 0.017 0.000 1.079 23 I HN 0.652 nan 8.210 nan 0.000 0.425 24 W N 2.178 123.381 121.300 -0.162 0.000 2.354 24 W HA -0.252 4.408 4.660 -0.000 0.000 0.315 24 W C 2.711 179.120 176.519 -0.184 0.000 1.206 24 W CA 1.930 59.176 57.345 -0.166 0.000 1.290 24 W CB -0.354 28.983 29.460 -0.206 0.000 1.152 24 W HN -0.283 nan 8.180 nan 0.000 0.489 25 K N 0.469 120.640 120.400 -0.381 0.000 2.059 25 K HA -0.231 4.089 4.320 -0.000 0.000 0.212 25 K C 2.012 178.380 176.600 -0.386 0.000 1.050 25 K CA 2.185 58.154 56.287 -0.529 0.000 0.927 25 K CB -1.259 31.012 32.500 -0.381 0.000 0.714 25 K HN 0.276 nan 8.250 nan 0.000 0.447 26 K N 0.490 120.757 120.400 -0.222 0.000 2.209 26 K HA 0.042 4.361 4.320 -0.000 0.000 0.204 26 K C 1.830 178.402 176.600 -0.045 0.000 1.048 26 K CA 1.321 57.543 56.287 -0.109 0.000 0.940 26 K CB -0.478 31.992 32.500 -0.050 0.000 0.729 26 K HN 0.473 nan 8.250 nan 0.000 0.451 27 N N -0.331 118.304 118.700 -0.110 0.000 2.254 27 N HA -0.040 4.699 4.740 -0.000 0.000 0.190 27 N C 1.735 177.235 175.510 -0.017 0.000 1.107 27 N CA 1.048 54.133 53.050 0.058 0.000 0.869 27 N CB 0.274 38.775 38.487 0.023 0.000 0.983 27 N HN 0.556 nan 8.380 nan 0.000 0.487 28 T N 0.422 114.789 114.554 -0.312 0.000 2.685 28 T HA -0.104 4.245 4.350 -0.000 0.000 0.268 28 T C -0.961 173.670 174.700 -0.115 0.000 1.034 28 T CA 1.050 62.999 62.100 -0.253 0.000 1.149 28 T CB -1.499 66.961 68.868 -0.680 0.000 0.860 28 T HN 0.084 nan 8.240 nan 0.000 0.449 29 P HA 0.102 nan 4.420 nan 0.000 0.223 29 P C 0.706 177.585 177.300 -0.701 0.000 1.151 29 P CA 0.690 63.444 63.100 -0.577 0.000 0.787 29 P CB -0.270 30.877 31.700 -0.922 0.000 0.788 30 F N -2.238 117.707 119.950 -0.008 0.000 2.714 30 F HA 0.188 4.715 4.527 -0.000 0.000 0.294 30 F C 1.873 177.665 175.800 -0.014 0.000 1.120 30 F CA 0.526 58.516 58.000 -0.017 0.000 1.398 30 F CB -0.667 38.312 39.000 -0.035 0.000 1.120 30 F HN -0.209 nan 8.300 nan 0.000 0.589 31 L N -1.886 119.412 121.223 0.126 0.000 2.556 31 L HA 0.165 4.505 4.340 -0.000 0.000 0.226 31 L C -0.642 176.079 176.870 -0.248 0.000 1.089 31 L CA 0.229 55.071 54.840 0.004 0.000 0.864 31 L CB 0.127 42.181 42.059 -0.010 0.000 1.067 31 L HN -0.013 nan 8.230 nan 0.000 0.477 32 Y N -1.324 119.018 120.300 0.070 0.000 2.499 32 Y HA 0.245 4.794 4.550 -0.000 0.000 0.347 32 Y C 0.445 176.349 175.900 0.007 0.000 0.987 32 Y CA -0.968 57.176 58.100 0.073 0.000 1.044 32 Y CB 1.447 39.981 38.460 0.123 0.000 1.245 32 Y HN -0.193 nan 8.280 nan 0.000 0.461 33 D N 1.032 121.546 120.400 0.189 0.000 2.327 33 D HA 0.108 4.747 4.640 -0.000 0.000 0.205 33 D C -0.681 175.700 176.300 0.136 0.000 0.989 33 D CA 0.920 54.986 54.000 0.111 0.000 0.873 33 D CB 0.658 41.504 40.800 0.077 0.000 0.955 33 D HN 0.253 nan 8.370 nan 0.000 0.515 34 L N 0.261 121.617 121.223 0.223 0.000 2.526 34 L HA 0.410 4.749 4.340 -0.000 0.000 0.263 34 L C -1.865 175.133 176.870 0.213 0.000 0.943 34 L CA -0.637 54.308 54.840 0.174 0.000 0.859 34 L CB 2.323 44.471 42.059 0.148 0.000 1.313 34 L HN -0.317 nan 8.230 nan 0.000 0.406 35 V N 5.741 125.715 119.914 0.101 0.000 2.569 35 V HA 0.592 4.712 4.120 -0.000 0.000 0.301 35 V C -0.407 175.746 176.094 0.097 0.000 1.044 35 V CA -0.374 61.972 62.300 0.076 0.000 0.874 35 V CB 1.756 33.501 31.823 -0.131 0.000 1.002 35 V HN 0.814 nan 8.190 nan 0.000 0.424 36 M N 3.248 122.942 119.600 0.157 0.000 2.393 36 M HA 0.653 5.133 4.480 -0.000 0.000 0.316 36 M C -0.543 175.860 176.300 0.171 0.000 1.087 36 M CA -0.273 55.111 55.300 0.140 0.000 0.937 36 M CB 2.659 35.338 32.600 0.132 0.000 1.668 36 M HN 0.561 nan 8.290 nan 0.000 0.438 37 T N 0.418 115.064 114.554 0.154 0.000 2.841 37 T HA 0.549 4.898 4.350 -0.000 0.000 0.283 37 T C -1.550 173.258 174.700 0.181 0.000 1.000 37 T CA -0.605 61.588 62.100 0.156 0.000 0.977 37 T CB 1.139 70.088 68.868 0.135 0.000 0.979 37 T HN 0.665 nan 8.240 nan 0.000 0.446 38 H N 0.777 119.882 119.070 0.058 0.000 2.856 38 H HA 0.623 5.178 4.556 -0.001 0.000 0.355 38 H C -1.140 174.204 175.328 0.028 0.000 1.079 38 H CA -0.441 55.629 56.048 0.038 0.000 1.240 38 H CB 1.116 30.900 29.762 0.037 0.000 1.701 38 H HN 0.823 nan 8.280 nan 0.000 0.527 39 A N 6.241 128.804 122.820 -0.429 0.000 2.260 39 A HA 0.445 4.764 4.320 -0.000 0.000 0.312 39 A C -0.489 176.891 177.584 -0.339 0.000 1.321 39 A CA -0.642 51.236 52.037 -0.265 0.000 0.928 39 A CB -0.130 18.746 19.000 -0.206 0.000 1.158 39 A HN 0.700 nan 8.150 nan 0.000 0.542 40 L N 1.472 122.641 121.223 -0.088 0.000 2.464 40 L HA 0.135 4.475 4.340 -0.000 0.000 0.264 40 L C 1.924 178.752 176.870 -0.070 0.000 1.199 40 L CA -0.168 54.678 54.840 0.011 0.000 0.818 40 L CB 0.583 42.711 42.059 0.115 0.000 1.102 40 L HN 1.007 nan 8.230 nan 0.000 0.473 41 E N 1.031 121.194 120.200 -0.063 0.000 2.058 41 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 41 E C -0.369 176.001 176.600 -0.383 0.000 0.997 41 E CA 1.482 57.745 56.400 -0.228 0.000 0.801 41 E CB 0.185 29.778 29.700 -0.177 0.000 0.746 41 E HN 0.471 nan 8.360 nan 0.000 0.450 42 W N -0.052 121.251 121.300 0.005 0.000 2.799 42 W HA 0.387 5.047 4.660 -0.000 0.000 0.349 42 W C -2.192 174.331 176.519 0.007 0.000 1.100 42 W CA -2.508 54.835 57.345 -0.003 0.000 1.174 42 W CB 1.164 30.629 29.460 0.008 0.000 1.427 42 W HN -0.083 nan 8.180 nan 0.000 0.547 43 P HA 0.072 nan 4.420 nan 0.000 0.274 43 P C -0.561 176.841 177.300 0.170 0.000 1.231 43 P CA -0.073 63.130 63.100 0.172 0.000 0.790 43 P CB 1.576 33.362 31.700 0.143 0.000 0.951 44 S N 0.976 116.744 115.700 0.112 0.000 2.489 44 S HA 0.323 4.793 4.470 -0.000 0.000 0.291 44 S C 1.170 175.798 174.600 0.046 0.000 1.151 44 S CA -0.742 57.501 58.200 0.072 0.000 1.082 44 S CB -0.046 63.176 63.200 0.038 0.000 1.019 44 S HN 0.299 nan 8.310 nan 0.000 0.492 45 L N 3.234 124.469 121.223 0.019 0.000 2.554 45 L HA 0.228 4.568 4.340 -0.000 0.000 0.226 45 L C 1.107 177.967 176.870 -0.017 0.000 1.137 45 L CA 0.292 55.121 54.840 -0.018 0.000 0.863 45 L CB 0.140 42.169 42.059 -0.050 0.000 0.985 45 L HN 0.564 nan 8.230 nan 0.000 0.451 46 T N -0.299 114.248 114.554 -0.012 0.000 2.916 46 T HA 0.782 5.132 4.350 -0.000 0.000 0.305 46 T C -1.621 173.065 174.700 -0.024 0.000 1.119 46 T CA -0.386 61.707 62.100 -0.012 0.000 1.008 46 T CB 1.844 70.706 68.868 -0.009 0.000 1.129 46 T HN 0.040 nan 8.240 nan 0.000 0.480 47 A N 3.413 126.216 122.820 -0.029 0.000 2.488 47 A HA 0.786 5.106 4.320 -0.000 0.000 0.295 47 A C -1.174 176.376 177.584 -0.056 0.000 1.045 47 A CA -0.578 51.418 52.037 -0.070 0.000 0.703 47 A CB 1.884 20.833 19.000 -0.086 0.000 1.271 47 A HN 0.799 nan 8.150 nan 0.000 0.400 48 Q N 1.679 121.442 119.800 -0.062 0.000 2.327 48 Q HA 0.406 4.746 4.340 -0.000 0.000 0.265 48 Q C -1.964 174.080 176.000 0.072 0.000 0.993 48 Q CA -0.464 55.375 55.803 0.060 0.000 0.885 48 Q CB 1.276 30.131 28.738 0.195 0.000 1.379 48 Q HN 0.752 nan 8.270 nan 0.000 0.408 49 W N 4.149 125.548 121.300 0.166 0.000 2.253 49 W HA 0.295 4.954 4.660 -0.000 0.000 0.322 49 W C 0.095 176.658 176.519 0.074 0.000 1.342 49 W CA -0.300 57.118 57.345 0.122 0.000 1.218 49 W CB 0.442 29.987 29.460 0.140 0.000 1.205 49 W HN 0.470 nan 8.180 nan 0.000 0.551 50 L N 6.246 127.575 121.223 0.178 0.000 2.464 50 L HA 0.099 4.438 4.340 -0.000 0.000 0.264 50 L C -0.792 176.005 176.870 -0.122 0.000 1.199 50 L CA -1.442 53.279 54.840 -0.199 0.000 0.818 50 L CB 0.657 42.629 42.059 -0.145 0.000 1.102 50 L HN 0.306 nan 8.230 nan 0.000 0.473 51 P HA 0.036 nan 4.420 nan 0.000 0.245 51 P C -0.427 176.832 177.300 -0.068 0.000 1.206 51 P CA 0.460 63.494 63.100 -0.111 0.000 0.781 51 P CB 0.381 32.014 31.700 -0.112 0.000 0.994 52 D N 0.127 120.476 120.400 -0.084 0.000 2.181 52 D HA 0.306 4.946 4.640 -0.000 0.000 0.248 52 D C -0.547 175.685 176.300 -0.114 0.000 1.020 52 D CA -0.409 53.544 54.000 -0.077 0.000 0.891 52 D CB 2.919 43.684 40.800 -0.058 0.000 1.187 52 D HN -0.198 nan 8.370 nan 0.000 0.443 53 V N 1.442 121.260 119.914 -0.160 0.000 2.623 53 V HA 0.587 4.706 4.120 -0.000 0.000 0.304 53 V C -0.476 175.506 176.094 -0.187 0.000 1.054 53 V CA -0.188 61.938 62.300 -0.289 0.000 0.882 53 V CB 1.673 33.190 31.823 -0.511 0.000 1.002 53 V HN 0.811 nan 8.190 nan 0.000 0.424 62 S N 2.736 118.518 115.700 0.137 0.000 2.607 62 S HA 0.860 5.329 4.470 -0.000 0.000 0.303 62 S C -1.124 173.625 174.600 0.248 0.000 1.086 62 S CA -0.912 57.317 58.200 0.049 0.000 0.995 62 S CB 2.183 65.428 63.200 0.074 0.000 1.084 62 S HN 0.719 nan 8.310 nan 0.000 0.507 63 I N 2.761 123.394 120.570 0.106 0.000 2.312 63 I HA 0.347 4.517 4.170 -0.000 0.000 0.290 63 I C 0.280 176.439 176.117 0.070 0.000 1.008 63 I CA -0.142 61.262 61.300 0.175 0.000 1.226 63 I CB -0.044 38.022 38.000 0.109 0.000 1.371 63 I HN 0.701 nan 8.210 nan 0.000 0.468 64 H N 6.105 125.263 119.070 0.147 0.000 2.616 64 H HA 0.618 5.173 4.556 -0.000 0.000 0.353 64 H C -0.386 175.089 175.328 0.245 0.000 1.170 64 H CA -0.901 55.264 56.048 0.194 0.000 1.212 64 H CB 2.512 32.407 29.762 0.222 0.000 1.653 64 H HN 0.426 nan 8.280 nan 0.000 0.537 65 R N 1.149 121.859 120.500 0.350 0.000 2.807 65 R HA 0.567 4.907 4.340 -0.000 0.000 0.276 65 R C -1.039 175.351 176.300 0.150 0.000 0.979 65 R CA -0.886 55.321 56.100 0.179 0.000 0.928 65 R CB 2.159 32.486 30.300 0.043 0.000 1.191 65 R HN 0.327 nan 8.270 nan 0.000 0.471 66 L N 1.542 122.734 121.223 -0.052 0.000 2.386 66 L HA 0.503 4.843 4.340 -0.000 0.000 0.271 66 L C -0.694 176.088 176.870 -0.146 0.000 0.993 66 L CA -1.222 53.503 54.840 -0.192 0.000 0.819 66 L CB 2.422 44.244 42.059 -0.396 0.000 1.294 66 L HN 0.287 nan 8.230 nan 0.000 0.414 67 V N 4.643 124.499 119.914 -0.097 0.000 2.432 67 V HA 0.458 4.578 4.120 -0.000 0.000 0.275 67 V C 0.142 176.188 176.094 -0.080 0.000 1.043 67 V CA -0.172 62.084 62.300 -0.075 0.000 0.925 67 V CB 1.327 33.166 31.823 0.027 0.000 0.985 67 V HN 0.511 nan 8.190 nan 0.000 0.466 68 L N 3.484 124.655 121.223 -0.087 0.000 2.322 68 L HA 0.985 5.325 4.340 -0.000 0.000 0.252 68 L C 0.407 177.235 176.870 -0.070 0.000 1.055 68 L CA -0.530 54.269 54.840 -0.069 0.000 0.849 68 L CB 2.438 44.461 42.059 -0.060 0.000 1.446 68 L HN 0.751 nan 8.230 nan 0.000 0.416 69 G N -0.821 107.947 108.800 -0.054 0.000 2.866 69 G HA2 0.686 4.646 3.960 -0.000 0.000 0.289 69 G HA3 0.686 4.646 3.960 -0.000 0.000 0.289 69 G C -1.298 173.592 174.900 -0.017 0.000 1.396 69 G CA -0.285 44.765 45.100 -0.083 0.000 0.848 69 G HN 0.545 nan 8.290 nan 0.000 0.515 70 T N -2.697 111.838 114.554 -0.033 0.000 2.912 70 T HA 0.667 5.017 4.350 -0.000 0.000 0.288 70 T C -0.919 173.794 174.700 0.022 0.000 1.030 70 T CA -0.676 61.441 62.100 0.028 0.000 1.020 70 T CB 1.909 70.772 68.868 -0.009 0.000 1.056 70 T HN 0.721 nan 8.240 nan 0.000 0.480 71 H N 1.191 120.217 119.070 -0.073 0.000 3.013 71 H HA 0.501 5.056 4.556 -0.001 0.000 0.326 71 H C -0.855 174.347 175.328 -0.209 0.000 0.973 71 H CA -0.703 55.276 56.048 -0.116 0.000 1.369 71 H CB 1.283 31.022 29.762 -0.038 0.000 1.598 71 H HN 1.027 nan 8.280 nan 0.000 0.518 72 T N 1.005 115.277 114.554 -0.470 0.000 2.916 72 T HA 0.193 4.543 4.350 -0.000 0.000 0.292 72 T C 1.099 175.409 174.700 -0.650 0.000 1.064 72 T CA -0.293 61.171 62.100 -1.061 0.000 1.011 72 T CB 1.640 69.438 68.868 -1.784 0.000 1.152 72 T HN 0.486 nan 8.240 nan 0.000 0.510 73 S N -0.303 115.070 115.700 -0.546 0.000 2.593 73 S HA 0.157 4.626 4.470 -0.000 0.000 0.217 73 S C 0.419 174.913 174.600 -0.177 0.000 0.966 73 S CA 0.247 58.324 58.200 -0.205 0.000 0.914 73 S CB -0.711 62.489 63.200 -0.000 0.000 0.776 73 S HN 0.922 nan 8.310 nan 0.000 0.523 74 D N 0.594 120.815 120.400 -0.298 0.000 2.636 74 D HA 0.342 4.982 4.640 -0.000 0.000 0.236 74 D C 0.281 176.464 176.300 -0.195 0.000 1.176 74 D CA -0.615 53.285 54.000 -0.166 0.000 1.081 74 D CB -0.015 40.747 40.800 -0.064 0.000 1.213 74 D HN -0.131 nan 8.370 nan 0.000 0.633 75 E N -0.843 119.275 120.200 -0.136 0.000 2.569 75 E HA 0.099 4.448 4.350 -0.000 0.000 0.205 75 E C -0.194 176.312 176.600 -0.157 0.000 1.006 75 E CA -0.120 56.202 56.400 -0.131 0.000 0.985 75 E CB 0.428 30.084 29.700 -0.074 0.000 1.060 75 E HN 0.298 nan 8.360 nan 0.000 0.460 76 Q N 1.206 120.891 119.800 -0.192 0.000 3.150 76 Q HA 0.213 4.553 4.340 -0.000 0.000 0.297 76 Q C -0.347 175.445 176.000 -0.346 0.000 1.382 76 Q CA -0.093 55.608 55.803 -0.169 0.000 1.059 76 Q CB -0.284 28.491 28.738 0.063 0.000 1.559 76 Q HN 0.089 nan 8.270 nan 0.000 0.548 77 N N 1.300 119.745 118.700 -0.425 0.000 2.473 77 N HA 0.363 5.103 4.740 -0.000 0.000 0.291 77 N C -0.672 174.491 175.510 -0.577 0.000 1.083 77 N CA -0.172 52.651 53.050 -0.378 0.000 0.951 77 N CB 1.049 39.427 38.487 -0.182 0.000 1.164 77 N HN 0.328 nan 8.380 nan 0.000 0.480 78 H N -0.260 118.776 119.070 -0.056 0.000 2.974 78 H HA 0.279 4.835 4.556 -0.001 0.000 0.366 78 H C -0.774 174.453 175.328 -0.169 0.000 1.155 78 H CA -0.800 55.201 56.048 -0.078 0.000 1.186 78 H CB 1.829 31.561 29.762 -0.051 0.000 1.799 78 H HN 0.284 nan 8.280 nan 0.000 0.541 79 L N 2.768 123.914 121.223 -0.128 0.000 2.380 79 L HA 0.421 4.761 4.340 -0.000 0.000 0.273 79 L C -1.033 175.753 176.870 -0.140 0.000 1.138 79 L CA -0.002 54.706 54.840 -0.220 0.000 0.832 79 L CB 0.479 42.301 42.059 -0.396 0.000 1.124 79 L HN 0.460 nan 8.230 nan 0.000 0.454 80 V N 6.245 126.086 119.914 -0.123 0.000 2.588 80 V HA 0.480 4.599 4.120 -0.000 0.000 0.304 80 V C -0.401 175.604 176.094 -0.149 0.000 1.042 80 V CA -0.693 61.542 62.300 -0.108 0.000 0.877 80 V CB 1.864 33.656 31.823 -0.053 0.000 0.996 80 V HN 0.501 nan 8.190 nan 0.000 0.425 81 I N 3.903 124.363 120.570 -0.184 0.000 2.339 81 I HA 0.725 4.894 4.170 -0.000 0.000 0.290 81 I C 0.407 176.436 176.117 -0.148 0.000 0.994 81 I CA -0.530 60.637 61.300 -0.221 0.000 1.191 81 I CB 1.309 39.070 38.000 -0.398 0.000 1.343 81 I HN 0.707 nan 8.210 nan 0.000 0.458 82 A N 5.128 127.871 122.820 -0.129 0.000 2.340 82 A HA 0.800 5.120 4.320 -0.000 0.000 0.331 82 A C 0.055 177.602 177.584 -0.062 0.000 1.140 82 A CA -0.450 51.526 52.037 -0.101 0.000 0.801 82 A CB 1.134 20.058 19.000 -0.125 0.000 1.234 82 A HN 0.752 nan 8.150 nan 0.000 0.469 83 S N 0.289 115.971 115.700 -0.030 0.000 2.593 83 S HA 0.786 5.256 4.470 -0.000 0.000 0.297 83 S C -0.666 173.968 174.600 0.057 0.000 1.112 83 S CA -0.590 57.633 58.200 0.039 0.000 1.043 83 S CB 1.443 64.675 63.200 0.054 0.000 1.054 83 S HN 0.999 nan 8.310 nan 0.000 0.516 84 V N 2.218 122.229 119.914 0.161 0.000 2.623 84 V HA 0.397 4.517 4.120 -0.000 0.000 0.304 84 V C -0.661 175.575 176.094 0.236 0.000 1.054 84 V CA -0.760 61.647 62.300 0.177 0.000 0.882 84 V CB 1.633 33.627 31.823 0.286 0.000 1.002 84 V HN 0.966 nan 8.190 nan 0.000 0.424 85 Q N 4.625 124.532 119.800 0.179 0.000 2.279 85 Q HA 0.669 5.009 4.340 -0.000 0.000 0.256 85 Q C -1.153 174.964 176.000 0.194 0.000 0.937 85 Q CA -0.211 55.738 55.803 0.243 0.000 0.933 85 Q CB 1.952 30.757 28.738 0.112 0.000 1.189 85 Q HN 0.569 nan 8.270 nan 0.000 0.417 86 L N 3.859 125.230 121.223 0.247 0.000 2.354 86 L HA 0.516 4.856 4.340 -0.000 0.000 0.269 86 L C -2.344 174.637 176.870 0.185 0.000 1.005 86 L CA -2.641 52.272 54.840 0.121 0.000 0.819 86 L CB 2.001 44.011 42.059 -0.082 0.000 1.311 86 L HN 0.341 nan 8.230 nan 0.000 0.423 87 P HA 0.091 nan 4.420 nan 0.000 0.265 87 P C -0.555 176.817 177.300 0.120 0.000 1.193 87 P CA 0.348 63.531 63.100 0.137 0.000 0.765 87 P CB 0.307 32.058 31.700 0.085 0.000 0.823 115 I N 1.082 121.609 120.570 -0.070 0.000 2.406 115 I HA 0.386 4.555 4.170 -0.000 0.000 0.290 115 I C -0.782 175.224 176.117 -0.184 0.000 0.999 115 I CA -0.444 60.751 61.300 -0.176 0.000 1.124 115 I CB 2.012 39.778 38.000 -0.390 0.000 1.289 115 I HN 0.580 nan 8.210 nan 0.000 0.441 116 E N 5.412 125.541 120.200 -0.119 0.000 2.340 116 E HA 0.473 4.823 4.350 -0.000 0.000 0.273 116 E C -1.171 175.389 176.600 -0.067 0.000 0.891 116 E CA -0.951 55.406 56.400 -0.071 0.000 0.757 116 E CB 2.586 32.273 29.700 -0.022 0.000 1.231 116 E HN 0.308 nan 8.360 nan 0.000 0.439 117 I N 3.025 123.569 120.570 -0.043 0.000 2.452 117 I HA 0.016 4.186 4.170 -0.000 0.000 0.287 117 I C 1.229 177.323 176.117 -0.039 0.000 1.079 117 I CA 0.756 62.030 61.300 -0.044 0.000 1.387 117 I CB 0.298 38.280 38.000 -0.029 0.000 1.404 117 I HN 0.692 nan 8.210 nan 0.000 0.522 118 E N 5.129 125.299 120.200 -0.050 0.000 2.102 118 E HA 0.177 4.527 4.350 -0.000 0.000 0.190 118 E C 0.222 176.801 176.600 -0.035 0.000 0.971 118 E CA 0.683 57.063 56.400 -0.034 0.000 0.821 118 E CB 0.937 30.616 29.700 -0.036 0.000 0.777 118 E HN 0.545 nan 8.360 nan 0.000 0.460 119 I N 0.635 121.164 120.570 -0.067 0.000 2.752 119 I HA 0.207 4.376 4.170 -0.000 0.000 0.295 119 I C -1.740 174.316 176.117 -0.101 0.000 1.219 119 I CA -0.667 60.596 61.300 -0.062 0.000 1.030 119 I CB 1.793 39.776 38.000 -0.028 0.000 1.259 119 I HN -0.260 nan 8.210 nan 0.000 0.423 120 K N 7.658 127.987 120.400 -0.120 0.000 2.270 120 K HA 0.670 4.990 4.320 -0.000 0.000 0.255 120 K C -1.362 175.180 176.600 -0.097 0.000 0.936 120 K CA -0.611 55.571 56.287 -0.176 0.000 0.809 120 K CB 2.475 34.708 32.500 -0.445 0.000 1.131 120 K HN 0.445 nan 8.250 nan 0.000 0.427 121 I N 2.674 123.213 120.570 -0.051 0.000 2.447 121 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 121 I C -0.497 175.647 176.117 0.045 0.000 1.023 121 I CA -1.111 60.139 61.300 -0.083 0.000 1.083 121 I CB 1.610 39.345 38.000 -0.441 0.000 1.245 121 I HN 0.504 nan 8.210 nan 0.000 0.434 122 N N 5.340 124.143 118.700 0.172 0.000 2.292 122 N HA -0.052 4.687 4.740 -0.000 0.000 0.258 122 N C -0.487 175.042 175.510 0.032 0.000 1.261 122 N CA 0.741 53.837 53.050 0.077 0.000 0.845 122 N CB 0.251 38.791 38.487 0.088 0.000 1.064 122 N HN 0.525 nan 8.380 nan 0.000 0.471 123 H N 0.970 119.961 119.070 -0.132 0.000 2.717 123 H HA 0.189 4.745 4.556 0.000 0.000 0.366 123 H C -0.814 174.486 175.328 -0.048 0.000 1.132 123 H CA -0.504 55.512 56.048 -0.054 0.000 1.180 123 H CB 1.296 30.991 29.762 -0.112 0.000 1.678 123 H HN 0.462 nan 8.280 nan 0.000 0.537 124 E N 2.678 122.696 120.200 -0.303 0.000 1.944 124 E HA 0.316 4.665 4.350 -0.000 0.000 0.272 124 E C 0.462 177.026 176.600 -0.060 0.000 1.195 124 E CA 0.382 56.680 56.400 -0.170 0.000 0.926 124 E CB 0.290 29.873 29.700 -0.194 0.000 1.051 124 E HN 0.876 nan 8.360 nan 0.000 0.404 125 G N 3.146 111.951 108.800 0.008 0.000 2.828 125 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.463 125 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.463 125 G C -0.141 174.832 174.900 0.122 0.000 1.394 125 G CA -0.535 44.586 45.100 0.035 0.000 0.862 125 G HN 0.607 nan 8.290 nan 0.000 0.540 126 E N -0.828 119.392 120.200 0.032 0.000 2.438 126 E HA 0.251 4.600 4.350 -0.000 0.000 0.261 126 E C 0.205 176.762 176.600 -0.072 0.000 1.103 126 E CA -0.094 56.294 56.400 -0.020 0.000 0.959 126 E CB 0.858 30.543 29.700 -0.026 0.000 0.958 126 E HN 0.839 nan 8.360 nan 0.000 0.447 127 V N 3.562 123.339 119.914 -0.229 0.000 2.339 127 V HA -0.020 4.100 4.120 -0.000 0.000 0.261 127 V C 1.043 177.043 176.094 -0.157 0.000 1.058 127 V CA -0.522 61.569 62.300 -0.349 0.000 0.897 127 V CB 0.222 31.760 31.823 -0.476 0.000 1.052 127 V HN 0.542 nan 8.190 nan 0.000 0.480 128 N N 3.455 122.084 118.700 -0.117 0.000 2.223 128 N HA -0.043 4.697 4.740 -0.000 0.000 0.185 128 N C 0.796 176.316 175.510 0.017 0.000 1.016 128 N CA 0.911 53.908 53.050 -0.089 0.000 0.863 128 N CB -0.002 38.277 38.487 -0.346 0.000 0.983 128 N HN 0.721 nan 8.380 nan 0.000 0.429 129 R N -1.181 119.307 120.500 -0.020 0.000 2.664 129 R HA 0.573 4.913 4.340 -0.000 0.000 0.260 129 R C -2.217 174.094 176.300 0.018 0.000 1.062 129 R CA -0.497 55.617 56.100 0.023 0.000 0.902 129 R CB 0.913 31.249 30.300 0.061 0.000 1.258 129 R HN -0.011 nan 8.270 nan 0.000 0.465 130 A N 3.540 126.384 122.820 0.041 0.000 2.398 130 A HA 0.820 5.140 4.320 -0.000 0.000 0.301 130 A C -1.369 176.299 177.584 0.140 0.000 1.041 130 A CA -0.845 51.244 52.037 0.087 0.000 0.711 130 A CB 1.696 20.724 19.000 0.047 0.000 1.240 130 A HN 0.530 nan 8.150 nan 0.000 0.420 131 R N 1.247 121.882 120.500 0.225 0.000 2.564 131 R HA 0.365 4.705 4.340 -0.000 0.000 0.284 131 R C -1.464 175.105 176.300 0.448 0.000 1.031 131 R CA -0.409 55.857 56.100 0.277 0.000 0.904 131 R CB 1.489 31.929 30.300 0.233 0.000 1.199 131 R HN 0.867 nan 8.270 nan 0.000 0.443 132 Y N 0.050 120.525 120.300 0.292 0.000 2.307 132 Y HA 0.503 5.052 4.550 -0.001 0.000 0.324 132 Y C 0.518 176.312 175.900 -0.176 0.000 1.238 132 Y CA -1.052 57.132 58.100 0.140 0.000 1.280 132 Y CB 0.827 39.345 38.460 0.096 0.000 1.248 132 Y HN 0.530 nan 8.280 nan 0.000 0.508 133 M N 5.517 124.795 119.600 -0.537 0.000 2.146 133 M HA 0.248 4.727 4.480 -0.000 0.000 0.352 133 M C -2.015 174.076 176.300 -0.350 0.000 1.343 133 M CA -1.921 52.638 55.300 -1.235 0.000 1.115 133 M CB 1.387 33.019 32.600 -1.613 0.000 1.657 133 M HN 0.530 nan 8.290 nan 0.000 0.471 134 P HA -0.167 nan 4.420 nan 0.000 0.216 134 P C 0.400 177.706 177.300 0.009 0.000 1.150 134 P CA 1.567 64.681 63.100 0.023 0.000 0.843 134 P CB 0.193 31.870 31.700 -0.039 0.000 0.787 135 Q N -2.013 117.726 119.800 -0.101 0.000 2.311 135 Q HA 0.026 4.366 4.340 -0.000 0.000 0.203 135 Q C 0.452 176.402 176.000 -0.082 0.000 0.954 135 Q CA 0.746 56.499 55.803 -0.083 0.000 0.885 135 Q CB -0.207 28.471 28.738 -0.101 0.000 0.963 135 Q HN 0.127 nan 8.270 nan 0.000 0.471 136 N N -0.834 117.798 118.700 -0.113 0.000 2.664 136 N HA 0.183 4.923 4.740 -0.000 0.000 0.268 136 N C -2.703 172.771 175.510 -0.061 0.000 1.222 136 N CA -1.685 51.312 53.050 -0.088 0.000 0.805 136 N CB 1.334 39.758 38.487 -0.106 0.000 1.399 136 N HN -0.249 nan 8.380 nan 0.000 0.547 137 P HA 0.163 nan 4.420 nan 0.000 0.245 137 P C 0.741 178.105 177.300 0.107 0.000 1.212 137 P CA 0.266 63.409 63.100 0.072 0.000 0.774 137 P CB 0.097 31.724 31.700 -0.120 0.000 0.999 138 C N -0.800 118.484 119.300 -0.026 0.000 2.437 138 C HA 0.017 4.477 4.460 -0.000 0.000 0.283 138 C C 1.125 176.111 174.990 -0.006 0.000 1.424 138 C CA 0.196 59.088 59.018 -0.211 0.000 1.782 138 C CB -1.139 26.407 27.740 -0.323 0.000 1.833 138 C HN 0.142 nan 8.230 nan 0.000 0.532 139 I N 1.904 122.499 120.570 0.042 0.000 2.304 139 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 139 I C -0.092 176.144 176.117 0.198 0.000 1.018 139 I CA -0.664 60.685 61.300 0.082 0.000 1.260 139 I CB 0.095 38.046 38.000 -0.082 0.000 1.390 139 I HN 0.095 nan 8.210 nan 0.000 0.475 140 I N 5.165 125.949 120.570 0.357 0.000 2.436 140 I HA 0.557 4.726 4.170 -0.000 0.000 0.289 140 I C 0.250 176.672 176.117 0.508 0.000 1.010 140 I CA -0.672 60.896 61.300 0.447 0.000 1.098 140 I CB 2.088 40.319 38.000 0.385 0.000 1.266 140 I HN 0.616 nan 8.210 nan 0.000 0.434 141 A N 4.134 127.289 122.820 0.558 0.000 2.304 141 A HA 0.842 5.162 4.320 -0.000 0.000 0.301 141 A C -0.029 177.692 177.584 0.228 0.000 1.132 141 A CA -0.315 51.903 52.037 0.302 0.000 0.819 141 A CB 0.883 19.887 19.000 0.006 0.000 1.094 141 A HN 0.733 nan 8.150 nan 0.000 0.492 142 T N -0.278 114.389 114.554 0.188 0.000 2.909 142 T HA 0.621 4.970 4.350 -0.000 0.000 0.299 142 T C -1.007 173.765 174.700 0.120 0.000 1.073 142 T CA -1.023 61.194 62.100 0.196 0.000 0.999 142 T CB 1.454 70.555 68.868 0.389 0.000 1.098 142 T HN 0.440 nan 8.240 nan 0.000 0.477 143 K N 2.874 123.311 120.400 0.060 0.000 2.213 143 K HA 0.524 4.844 4.320 -0.000 0.000 0.270 143 K C 0.321 176.940 176.600 0.032 0.000 1.002 143 K CA -0.473 55.804 56.287 -0.017 0.000 0.868 143 K CB 1.710 34.139 32.500 -0.119 0.000 1.093 143 K HN 0.980 nan 8.250 nan 0.000 0.454 144 T N -1.046 113.519 114.554 0.018 0.000 2.940 144 T HA 0.388 4.738 4.350 -0.000 0.000 0.288 144 T C -1.839 172.827 174.700 -0.056 0.000 1.033 144 T CA -1.993 60.133 62.100 0.044 0.000 1.033 144 T CB 1.772 70.629 68.868 -0.019 0.000 1.079 144 T HN 0.141 nan 8.240 nan 0.000 0.496 145 P HA -0.065 nan 4.420 nan 0.000 0.223 145 P C 1.676 178.939 177.300 -0.063 0.000 1.151 145 P CA 0.982 64.036 63.100 -0.077 0.000 0.787 145 P CB -0.169 31.501 31.700 -0.051 0.000 0.788 146 S N -0.464 115.206 115.700 -0.050 0.000 2.474 146 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 146 S C 1.426 176.007 174.600 -0.031 0.000 0.997 146 S CA 1.272 59.448 58.200 -0.040 0.000 0.949 146 S CB -1.090 62.084 63.200 -0.043 0.000 0.766 146 S HN 0.347 nan 8.310 nan 0.000 0.517 147 S N -1.491 114.186 115.700 -0.039 0.000 1.975 147 S HA -0.172 4.298 4.470 -0.000 0.000 0.250 147 S C -0.529 174.096 174.600 0.040 0.000 1.199 147 S CA 0.468 58.661 58.200 -0.012 0.000 1.263 147 S CB -2.629 60.589 63.200 0.030 0.000 1.561 147 S HN 0.511 nan 8.310 nan 0.000 0.589 148 D N 1.806 122.204 120.400 -0.003 0.000 2.399 148 D HA 0.510 5.150 4.640 -0.000 0.000 0.241 148 D C 0.059 176.322 176.300 -0.062 0.000 1.133 148 D CA 0.381 54.362 54.000 -0.031 0.000 0.890 148 D CB 1.307 42.058 40.800 -0.080 0.000 1.201 148 D HN 0.386 nan 8.370 nan 0.000 0.432 149 V N 3.516 123.342 119.914 -0.146 0.000 2.370 149 V HA 0.313 4.432 4.120 -0.000 0.000 0.283 149 V C 0.257 176.177 176.094 -0.290 0.000 1.023 149 V CA -0.657 61.503 62.300 -0.232 0.000 0.857 149 V CB 1.004 32.559 31.823 -0.447 0.000 0.985 149 V HN 0.287 nan 8.190 nan 0.000 0.443 150 L N 5.231 126.349 121.223 -0.175 0.000 2.331 150 L HA 0.715 5.055 4.340 -0.000 0.000 0.275 150 L C -0.654 176.071 176.870 -0.242 0.000 1.022 150 L CA -0.917 53.760 54.840 -0.270 0.000 0.812 150 L CB 2.067 43.957 42.059 -0.281 0.000 1.257 150 L HN 0.304 nan 8.230 nan 0.000 0.435 151 V N 2.150 121.835 119.914 -0.382 0.000 2.448 151 V HA 0.470 4.590 4.120 -0.000 0.000 0.295 151 V C -0.699 175.171 176.094 -0.373 0.000 1.025 151 V CA -0.412 61.791 62.300 -0.162 0.000 0.859 151 V CB 1.575 33.376 31.823 -0.036 0.000 0.988 151 V HN 0.386 nan 8.190 nan 0.000 0.431 152 F N 2.081 122.112 119.950 0.134 0.000 2.508 152 F HA 0.502 5.028 4.527 -0.001 0.000 0.325 152 F C 0.135 176.030 175.800 0.158 0.000 1.090 152 F CA -0.716 57.369 58.000 0.142 0.000 0.945 152 F CB 1.736 40.780 39.000 0.074 0.000 1.156 152 F HN 0.405 nan 8.300 nan 0.000 0.463 153 D N 2.160 122.766 120.400 0.343 0.000 2.412 153 D HA 0.053 4.692 4.640 -0.000 0.000 0.224 153 D C 0.550 177.006 176.300 0.260 0.000 1.093 153 D CA -0.473 53.644 54.000 0.194 0.000 0.850 153 D CB 0.583 41.438 40.800 0.091 0.000 1.046 153 D HN 0.536 nan 8.370 nan 0.000 0.507 154 Y N 1.880 122.299 120.300 0.198 0.000 2.497 154 Y HA -0.093 4.456 4.550 -0.001 0.000 0.292 154 Y C 1.901 177.912 175.900 0.185 0.000 1.137 154 Y CA 1.348 59.542 58.100 0.156 0.000 1.285 154 Y CB -1.035 37.455 38.460 0.050 0.000 0.991 154 Y HN 0.282 nan 8.280 nan 0.000 0.556 155 T N -2.508 111.940 114.554 -0.178 0.000 3.113 155 T HA 0.019 4.369 4.350 -0.000 0.000 0.263 155 T C 1.238 175.961 174.700 0.037 0.000 1.143 155 T CA 0.786 62.826 62.100 -0.100 0.000 1.090 155 T CB -0.289 68.437 68.868 -0.237 0.000 0.922 155 T HN 0.483 nan 8.240 nan 0.000 0.521 156 K N -0.019 120.455 120.400 0.123 0.000 2.379 156 K HA 0.140 4.460 4.320 -0.000 0.000 0.194 156 K C 0.434 176.985 176.600 -0.082 0.000 1.031 156 K CA 0.137 56.433 56.287 0.015 0.000 1.037 156 K CB 0.200 32.681 32.500 -0.032 0.000 0.824 156 K HN 0.583 nan 8.250 nan 0.000 0.516 157 H N 1.121 120.249 119.070 0.096 0.000 2.479 157 H HA 0.219 4.775 4.556 0.000 0.000 0.335 157 H C -2.245 173.129 175.328 0.077 0.000 1.142 157 H CA -2.293 53.813 56.048 0.098 0.000 1.234 157 H CB 1.009 30.845 29.762 0.123 0.000 1.503 157 H HN -0.065 nan 8.280 nan 0.000 0.510 158 P HA 0.040 nan 4.420 nan 0.000 0.267 158 P C 0.766 178.129 177.300 0.105 0.000 1.200 158 P CA 0.027 63.188 63.100 0.102 0.000 0.772 158 P CB 0.564 32.313 31.700 0.081 0.000 0.855 159 S N 1.032 116.775 115.700 0.072 0.000 2.402 159 S HA -0.060 4.409 4.470 -0.000 0.000 0.229 159 S C 1.008 175.619 174.600 0.017 0.000 1.021 159 S CA 0.986 59.215 58.200 0.048 0.000 0.974 159 S CB -0.276 62.947 63.200 0.040 0.000 0.800 159 S HN 0.291 nan 8.310 nan 0.000 0.484 160 K N 2.917 123.329 120.400 0.020 0.000 2.227 160 K HA 0.479 4.799 4.320 -0.000 0.000 0.280 160 K C -2.714 173.901 176.600 0.026 0.000 1.041 160 K CA -1.809 54.480 56.287 0.004 0.000 0.905 160 K CB 1.478 33.984 32.500 0.011 0.000 1.068 160 K HN 0.454 nan 8.250 nan 0.000 0.470 161 P HA 0.062 nan 4.420 nan 0.000 0.272 161 P C -0.625 176.733 177.300 0.097 0.000 1.230 161 P CA -0.384 62.761 63.100 0.075 0.000 0.788 161 P CB 0.560 32.310 31.700 0.083 0.000 0.949 162 D N 2.315 122.786 120.400 0.119 0.000 2.363 162 D HA 0.019 4.659 4.640 -0.000 0.000 0.263 162 D C -1.100 175.259 176.300 0.098 0.000 1.258 162 D CA -1.839 52.220 54.000 0.097 0.000 0.907 162 D CB 0.397 41.256 40.800 0.099 0.000 1.107 162 D HN 0.169 nan 8.370 nan 0.000 0.495 163 P HA -0.175 nan 4.420 nan 0.000 0.221 163 P C 1.300 178.638 177.300 0.063 0.000 1.145 163 P CA 0.744 63.889 63.100 0.075 0.000 0.795 163 P CB 0.017 31.751 31.700 0.057 0.000 0.775 164 S N -0.268 115.465 115.700 0.055 0.000 2.440 164 S HA -0.059 4.411 4.470 -0.000 0.000 0.240 164 S C 1.858 176.482 174.600 0.039 0.000 1.014 164 S CA 1.472 59.698 58.200 0.042 0.000 0.980 164 S CB -1.745 61.478 63.200 0.038 0.000 0.775 164 S HN 0.353 nan 8.310 nan 0.000 0.499 165 G N 1.337 110.168 108.800 0.051 0.000 2.162 165 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 165 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 165 G C -0.179 174.739 174.900 0.029 0.000 0.976 165 G CA 0.355 45.474 45.100 0.033 0.000 0.655 165 G HN 1.049 nan 8.290 nan 0.000 0.533 166 E N -0.309 119.918 120.200 0.046 0.000 2.360 166 E HA 0.407 4.757 4.350 -0.000 0.000 0.269 166 E C 0.291 176.937 176.600 0.077 0.000 1.022 166 E CA -0.347 56.082 56.400 0.048 0.000 0.887 166 E CB 1.173 30.901 29.700 0.046 0.000 0.990 166 E HN 0.392 nan 8.360 nan 0.000 0.426 167 C N 4.141 123.483 119.300 0.070 0.000 2.330 167 C HA 0.358 4.818 4.460 -0.000 0.000 0.344 167 C C -0.704 174.372 174.990 0.143 0.000 1.273 167 C CA -0.545 58.547 59.018 0.124 0.000 1.879 167 C CB -0.506 27.275 27.740 0.068 0.000 2.376 167 C HN 0.753 nan 8.230 nan 0.000 0.534 168 N N 5.972 124.824 118.700 0.254 0.000 2.791 168 N HA 0.341 5.081 4.740 -0.000 0.000 0.265 168 N C -2.703 172.933 175.510 0.211 0.000 1.580 168 N CA -0.663 52.498 53.050 0.185 0.000 0.809 168 N CB 1.356 39.941 38.487 0.163 0.000 1.178 168 N HN 0.631 nan 8.380 nan 0.000 0.499 169 P HA 0.209 nan 4.420 nan 0.000 0.275 169 P C 0.220 177.389 177.300 -0.218 0.000 1.228 169 P CA -0.071 62.787 63.100 -0.403 0.000 0.786 169 P CB 1.868 33.189 31.700 -0.633 0.000 0.927 170 D N 0.740 121.014 120.400 -0.211 0.000 2.224 170 D HA 0.024 4.664 4.640 -0.000 0.000 0.205 170 D C 0.631 176.857 176.300 -0.123 0.000 0.965 170 D CA 1.221 55.168 54.000 -0.088 0.000 0.852 170 D CB 0.364 41.163 40.800 -0.001 0.000 0.947 170 D HN 0.291 nan 8.370 nan 0.000 0.494 171 L N -0.296 120.805 121.223 -0.203 0.000 2.434 171 L HA 0.421 4.761 4.340 -0.000 0.000 0.260 171 L C -0.426 176.289 176.870 -0.257 0.000 0.983 171 L CA -0.849 53.880 54.840 -0.186 0.000 0.820 171 L CB 3.295 45.261 42.059 -0.154 0.000 1.361 171 L HN -0.301 nan 8.230 nan 0.000 0.410 172 R N 2.680 123.050 120.500 -0.218 0.000 2.409 172 R HA 0.634 4.974 4.340 -0.000 0.000 0.313 172 R C -1.743 174.408 176.300 -0.248 0.000 0.953 172 R CA -0.547 55.415 56.100 -0.231 0.000 0.849 172 R CB 1.158 31.361 30.300 -0.162 0.000 1.171 172 R HN 0.567 nan 8.270 nan 0.000 0.458 173 L N 5.235 126.228 121.223 -0.384 0.000 2.272 173 L HA 0.562 4.902 4.340 -0.000 0.000 0.289 173 L C 0.229 176.992 176.870 -0.179 0.000 1.032 173 L CA -0.871 53.618 54.840 -0.586 0.000 0.810 173 L CB 1.288 42.429 42.059 -1.530 0.000 1.205 173 L HN 0.477 nan 8.230 nan 0.000 0.422 174 R N 1.557 122.172 120.500 0.192 0.000 2.732 174 R HA 0.718 5.058 4.340 -0.000 0.000 0.278 174 R C 0.548 177.056 176.300 0.346 0.000 0.976 174 R CA 0.026 56.262 56.100 0.227 0.000 0.963 174 R CB 2.013 32.377 30.300 0.107 0.000 1.150 174 R HN 0.863 nan 8.270 nan 0.000 0.478 175 G N 0.471 109.364 108.800 0.155 0.000 3.611 175 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 175 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 175 G C -0.199 174.633 174.900 -0.113 0.000 1.023 175 G CA -0.467 44.597 45.100 -0.060 0.000 0.887 175 G HN 0.500 nan 8.290 nan 0.000 0.420 176 H N 0.746 119.865 119.070 0.082 0.000 2.482 176 H HA 0.523 5.078 4.556 -0.001 0.000 0.344 176 H C 0.713 176.048 175.328 0.010 0.000 1.151 176 H CA 0.363 56.431 56.048 0.035 0.000 1.300 176 H CB 1.723 31.523 29.762 0.064 0.000 1.494 176 H HN 0.290 nan 8.280 nan 0.000 0.542 177 Q N 0.633 120.516 119.800 0.138 0.000 2.319 177 Q HA 0.191 4.531 4.340 -0.000 0.000 0.209 177 Q C -0.093 175.923 176.000 0.025 0.000 0.884 177 Q CA 0.421 56.255 55.803 0.052 0.000 0.938 177 Q CB 1.046 29.792 28.738 0.014 0.000 1.098 177 Q HN 0.298 nan 8.270 nan 0.000 0.517 178 K N 0.761 121.174 120.400 0.021 0.000 2.509 178 K HA 0.215 4.535 4.320 -0.000 0.000 0.266 178 K C -0.782 175.760 176.600 -0.097 0.000 0.987 178 K CA -0.565 55.702 56.287 -0.034 0.000 0.868 178 K CB 2.071 34.551 32.500 -0.033 0.000 1.421 178 K HN 0.109 nan 8.250 nan 0.000 0.444 179 E N -0.051 120.078 120.200 -0.119 0.000 2.410 179 E HA 0.478 4.828 4.350 -0.000 0.000 0.255 179 E C 0.176 176.595 176.600 -0.302 0.000 1.194 179 E CA -0.579 55.695 56.400 -0.210 0.000 0.955 179 E CB 0.572 30.144 29.700 -0.214 0.000 0.988 179 E HN 0.648 nan 8.360 nan 0.000 0.461 180 G N -0.425 108.103 108.800 -0.454 0.000 2.570 180 G HA2 0.323 4.282 3.960 -0.000 0.000 0.310 180 G HA3 0.323 4.282 3.960 -0.000 0.000 0.310 180 G C -1.042 173.364 174.900 -0.823 0.000 1.266 180 G CA -0.503 44.291 45.100 -0.510 0.000 0.825 180 G HN 0.584 nan 8.290 nan 0.000 0.483 181 Y N -0.024 120.236 120.300 -0.067 0.000 2.846 181 Y HA 0.393 4.943 4.550 0.000 0.000 0.258 181 Y C 2.130 178.016 175.900 -0.023 0.000 1.077 181 Y CA 0.235 58.308 58.100 -0.046 0.000 1.270 181 Y CB 0.033 38.470 38.460 -0.038 0.000 1.476 181 Y HN 0.702 nan 8.280 nan 0.000 0.460 182 G N 1.973 110.846 108.800 0.122 0.000 2.353 182 G HA2 0.325 4.285 3.960 -0.000 0.000 0.239 182 G HA3 0.325 4.285 3.960 -0.000 0.000 0.239 182 G C -1.197 173.729 174.900 0.045 0.000 1.295 182 G CA 0.288 45.440 45.100 0.086 0.000 0.884 182 G HN 0.104 nan 8.290 nan 0.000 0.537 183 L N 1.410 122.655 121.223 0.037 0.000 2.614 183 L HA 0.641 4.980 4.340 -0.000 0.000 0.264 183 L C -0.521 176.346 176.870 -0.005 0.000 0.940 183 L CA -0.405 54.429 54.840 -0.009 0.000 0.903 183 L CB 2.274 44.321 42.059 -0.020 0.000 1.306 183 L HN 0.593 nan 8.230 nan 0.000 0.410 184 S N 3.797 119.475 115.700 -0.037 0.000 2.649 184 S HA 0.620 5.090 4.470 -0.000 0.000 0.274 184 S C -1.806 172.959 174.600 0.275 0.000 1.176 184 S CA -0.420 57.855 58.200 0.125 0.000 0.988 184 S CB 0.551 63.849 63.200 0.162 0.000 1.071 184 S HN 0.469 nan 8.310 nan 0.000 0.478 185 W N 3.617 125.074 121.300 0.262 0.000 2.315 185 W HA 0.434 5.093 4.660 -0.001 0.000 0.316 185 W C 0.785 177.292 176.519 -0.021 0.000 1.211 185 W CA -0.468 56.979 57.345 0.169 0.000 1.201 185 W CB 0.570 30.046 29.460 0.026 0.000 1.184 185 W HN 0.580 nan 8.180 nan 0.000 0.544 186 N N 4.793 123.377 118.700 -0.193 0.000 2.442 186 N HA 0.112 4.852 4.740 -0.000 0.000 0.265 186 N C -1.471 173.830 175.510 -0.347 0.000 1.138 186 N CA -1.519 50.957 53.050 -0.958 0.000 0.956 186 N CB 1.397 38.929 38.487 -1.591 0.000 1.067 186 N HN 0.156 nan 8.380 nan 0.000 0.474 187 P HA 0.087 nan 4.420 nan 0.000 0.249 187 P C -0.096 177.112 177.300 -0.153 0.000 1.229 187 P CA 0.521 63.545 63.100 -0.127 0.000 0.788 187 P CB 0.580 32.238 31.700 -0.070 0.000 1.072 188 N N -0.513 118.052 118.700 -0.226 0.000 2.171 188 N HA 0.192 4.932 4.740 -0.000 0.000 0.212 188 N C 0.070 175.434 175.510 -0.243 0.000 1.184 188 N CA 0.113 53.045 53.050 -0.197 0.000 0.888 188 N CB 1.237 39.626 38.487 -0.164 0.000 1.038 188 N HN 0.203 nan 8.380 nan 0.000 0.517 189 L N 1.091 122.112 121.223 -0.337 0.000 2.471 189 L HA 0.226 4.566 4.340 -0.000 0.000 0.263 189 L C -0.124 176.596 176.870 -0.250 0.000 0.985 189 L CA -0.314 54.292 54.840 -0.391 0.000 0.868 189 L CB 2.211 43.815 42.059 -0.759 0.000 1.203 189 L HN -0.145 nan 8.230 nan 0.000 0.429 190 S N 1.644 117.283 115.700 -0.102 0.000 2.546 190 S HA 0.302 4.771 4.470 -0.000 0.000 0.290 190 S C 1.253 175.955 174.600 0.170 0.000 1.290 190 S CA 1.259 59.458 58.200 -0.002 0.000 1.069 190 S CB 0.428 63.617 63.200 -0.018 0.000 0.846 190 S HN 1.028 nan 8.310 nan 0.000 0.495 191 G N 3.736 112.685 108.800 0.248 0.000 2.179 191 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.260 191 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.260 191 G C 0.003 175.201 174.900 0.498 0.000 0.977 191 G CA 0.285 45.637 45.100 0.420 0.000 0.641 191 G HN 0.872 nan 8.290 nan 0.000 0.533 192 H N -0.539 118.676 119.070 0.241 0.000 2.705 192 H HA 0.476 5.032 4.556 -0.000 0.000 0.291 192 H C -0.532 174.996 175.328 0.334 0.000 1.085 192 H CA -0.456 55.728 56.048 0.226 0.000 1.357 192 H CB 1.631 31.420 29.762 0.046 0.000 1.419 192 H HN 0.205 nan 8.280 nan 0.000 0.462 193 L N 5.299 126.737 121.223 0.358 0.000 2.356 193 L HA 0.353 4.692 4.340 -0.000 0.000 0.277 193 L C -1.304 175.709 176.870 0.238 0.000 0.996 193 L CA -0.502 54.409 54.840 0.118 0.000 0.822 193 L CB 1.283 43.125 42.059 -0.362 0.000 1.256 193 L HN 0.485 nan 8.230 nan 0.000 0.413 194 L N 3.794 125.083 121.223 0.111 0.000 2.325 194 L HA 0.714 5.054 4.340 -0.000 0.000 0.279 194 L C 0.027 176.879 176.870 -0.029 0.000 1.054 194 L CA -0.368 54.368 54.840 -0.174 0.000 0.804 194 L CB 1.797 43.434 42.059 -0.704 0.000 1.200 194 L HN 0.736 nan 8.230 nan 0.000 0.436 195 S N 1.783 117.516 115.700 0.056 0.000 2.540 195 S HA 0.849 5.319 4.470 -0.000 0.000 0.275 195 S C -1.099 173.618 174.600 0.195 0.000 1.123 195 S CA -0.464 57.864 58.200 0.214 0.000 0.907 195 S CB 1.819 65.375 63.200 0.593 0.000 1.081 195 S HN 0.705 nan 8.310 nan 0.000 0.476 196 A N 2.366 125.242 122.820 0.093 0.000 2.350 196 A HA 0.886 5.206 4.320 -0.000 0.000 0.324 196 A C -0.145 177.385 177.584 -0.090 0.000 1.118 196 A CA -0.608 51.467 52.037 0.062 0.000 0.783 196 A CB 1.653 20.691 19.000 0.062 0.000 1.236 196 A HN 1.105 nan 8.150 nan 0.000 0.457 197 S N 0.083 115.724 115.700 -0.098 0.000 2.627 197 S HA 0.468 4.938 4.470 -0.000 0.000 0.283 197 S C -0.380 174.208 174.600 -0.020 0.000 1.127 197 S CA -0.485 57.573 58.200 -0.237 0.000 0.863 197 S CB 1.423 64.255 63.200 -0.615 0.000 1.121 197 S HN 0.530 nan 8.310 nan 0.000 0.479 198 D N 1.335 121.722 120.400 -0.022 0.000 2.378 198 D HA 0.004 4.643 4.640 -0.000 0.000 0.222 198 D C 0.920 177.295 176.300 0.125 0.000 0.980 198 D CA 0.876 54.923 54.000 0.079 0.000 0.907 198 D CB -0.143 40.688 40.800 0.051 0.000 0.899 198 D HN 0.722 nan 8.370 nan 0.000 0.527 199 D N -1.223 119.217 120.400 0.068 0.000 2.349 199 D HA -0.106 4.534 4.640 -0.000 0.000 0.224 199 D C 0.149 176.500 176.300 0.085 0.000 1.029 199 D CA 0.142 54.151 54.000 0.015 0.000 0.879 199 D CB -0.625 40.194 40.800 0.031 0.000 0.906 199 D HN 0.397 nan 8.370 nan 0.000 0.528 200 H N -2.086 117.029 119.070 0.076 0.000 3.636 200 H HA -0.147 4.409 4.556 -0.000 0.000 0.179 200 H C -0.151 175.269 175.328 0.153 0.000 0.968 200 H CA 0.673 56.788 56.048 0.111 0.000 1.220 200 H CB -1.958 27.869 29.762 0.108 0.000 1.023 200 H HN 0.484 nan 8.280 nan 0.000 0.366 201 T N -0.722 113.985 114.554 0.255 0.000 2.924 201 T HA 0.730 5.080 4.350 -0.000 0.000 0.291 201 T C -0.035 174.796 174.700 0.218 0.000 1.045 201 T CA -0.927 61.293 62.100 0.200 0.000 1.015 201 T CB 2.736 71.668 68.868 0.106 0.000 1.103 201 T HN 0.226 nan 8.240 nan 0.000 0.496 202 I N 1.214 121.858 120.570 0.123 0.000 2.378 202 I HA 0.454 4.624 4.170 -0.000 0.000 0.291 202 I C -0.174 175.879 176.117 -0.106 0.000 0.992 202 I CA -0.723 60.608 61.300 0.052 0.000 1.154 202 I CB 1.377 39.353 38.000 -0.041 0.000 1.315 202 I HN 0.682 nan 8.210 nan 0.000 0.448 203 C N 6.055 125.163 119.300 -0.319 0.000 2.391 203 C HA 0.695 5.154 4.460 -0.000 0.000 0.339 203 C C -0.278 174.267 174.990 -0.741 0.000 1.205 203 C CA -0.548 58.017 59.018 -0.755 0.000 1.937 203 C CB 1.432 28.300 27.740 -1.454 0.000 2.341 203 C HN 0.584 nan 8.230 nan 0.000 0.516 204 L N 3.391 124.174 121.223 -0.734 0.000 2.356 204 L HA 0.694 5.034 4.340 -0.000 0.000 0.277 204 L C -1.212 175.340 176.870 -0.531 0.000 0.996 204 L CA -0.283 54.320 54.840 -0.395 0.000 0.822 204 L CB 0.658 42.680 42.059 -0.062 0.000 1.256 204 L HN 0.710 nan 8.230 nan 0.000 0.413 205 W N 2.775 124.024 121.300 -0.085 0.000 2.706 205 W HA 0.368 5.028 4.660 0.000 0.000 0.346 205 W C -0.863 175.572 176.519 -0.140 0.000 1.071 205 W CA -0.634 56.647 57.345 -0.107 0.000 1.206 205 W CB 2.088 31.484 29.460 -0.106 0.000 1.413 205 W HN 0.475 nan 8.180 nan 0.000 0.542 206 D N 2.265 122.683 120.400 0.029 0.000 2.446 206 D HA 0.232 4.872 4.640 -0.000 0.000 0.251 206 D C 0.419 176.726 176.300 0.010 0.000 1.137 206 D CA -0.417 53.472 54.000 -0.186 0.000 0.890 206 D CB 0.417 40.952 40.800 -0.441 0.000 1.071 206 D HN 0.349 nan 8.370 nan 0.000 0.528 207 I N 0.917 121.547 120.570 0.100 0.000 3.883 207 I HA 0.117 4.287 4.170 -0.000 0.000 0.326 207 I C 1.443 177.615 176.117 0.091 0.000 1.283 207 I CA -0.120 61.240 61.300 0.100 0.000 1.161 207 I CB 0.050 38.123 38.000 0.121 0.000 1.012 207 I HN 0.172 nan 8.210 nan 0.000 0.421 208 S N 1.887 117.648 115.700 0.100 0.000 2.419 208 S HA -0.016 4.453 4.470 -0.000 0.000 0.233 208 S C 1.821 176.455 174.600 0.056 0.000 1.016 208 S CA 0.864 59.118 58.200 0.091 0.000 0.974 208 S CB -0.345 62.927 63.200 0.119 0.000 0.786 208 S HN 0.600 nan 8.310 nan 0.000 0.492 209 A N 0.572 123.419 122.820 0.046 0.000 2.387 209 A HA 0.599 4.919 4.320 -0.000 0.000 0.234 209 A C 0.398 177.995 177.584 0.022 0.000 1.253 209 A CA -0.332 51.724 52.037 0.030 0.000 0.894 209 A CB 0.191 19.207 19.000 0.027 0.000 0.963 209 A HN 0.348 nan 8.150 nan 0.000 0.508 210 V N 1.908 121.837 119.914 0.024 0.000 2.406 210 V HA 0.259 4.378 4.120 -0.000 0.000 0.272 210 V C -2.473 173.625 176.094 0.008 0.000 1.043 210 V CA -1.760 60.548 62.300 0.014 0.000 0.915 210 V CB 0.873 32.704 31.823 0.013 0.000 0.988 210 V HN 0.218 nan 8.190 nan 0.000 0.466 211 P HA 0.114 nan 4.420 nan 0.000 0.263 211 P C -0.150 177.145 177.300 -0.009 0.000 1.195 211 P CA -0.089 63.009 63.100 -0.004 0.000 0.762 211 P CB 0.245 31.941 31.700 -0.007 0.000 0.799 212 K N 3.212 123.607 120.400 -0.008 0.000 2.449 212 K HA 0.034 4.354 4.320 -0.000 0.000 0.237 212 K C 0.178 176.766 176.600 -0.019 0.000 1.265 212 K CA 0.382 56.662 56.287 -0.013 0.000 1.193 212 K CB -0.149 32.350 32.500 -0.001 0.000 1.515 212 K HN 0.510 nan 8.250 nan 0.000 0.259 213 E N 0.308 120.493 120.200 -0.025 0.000 2.869 213 E HA 0.104 4.454 4.350 -0.000 0.000 0.207 213 E C 0.522 177.104 176.600 -0.031 0.000 0.986 213 E CA -0.351 56.034 56.400 -0.025 0.000 1.131 213 E CB 0.925 30.613 29.700 -0.020 0.000 1.098 213 E HN 0.703 nan 8.360 nan 0.000 0.459 214 G N 2.576 111.350 108.800 -0.044 0.000 2.159 214 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.227 214 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.227 214 G C 0.242 175.106 174.900 -0.060 0.000 0.986 214 G CA 0.323 45.391 45.100 -0.054 0.000 0.651 214 G HN 0.293 nan 8.290 nan 0.000 0.523 215 K N 0.076 120.442 120.400 -0.056 0.000 2.090 215 K HA 0.729 5.048 4.320 -0.000 0.000 0.250 215 K C -0.173 176.389 176.600 -0.064 0.000 1.004 215 K CA -0.792 55.465 56.287 -0.050 0.000 0.919 215 K CB 2.146 34.626 32.500 -0.033 0.000 1.045 215 K HN 0.107 nan 8.250 nan 0.000 0.471 216 V N 2.040 121.925 119.914 -0.048 0.000 2.465 216 V HA 0.223 4.343 4.120 -0.000 0.000 0.279 216 V C -0.482 175.598 176.094 -0.024 0.000 1.045 216 V CA -0.751 61.520 62.300 -0.048 0.000 0.938 216 V CB 1.443 33.246 31.823 -0.033 0.000 0.986 216 V HN 0.571 nan 8.190 nan 0.000 0.467 217 V N 3.983 123.886 119.914 -0.018 0.000 2.487 217 V HA 0.383 4.503 4.120 -0.000 0.000 0.298 217 V C -0.418 175.779 176.094 0.170 0.000 1.028 217 V CA -0.896 61.436 62.300 0.053 0.000 0.860 217 V CB 1.847 33.698 31.823 0.046 0.000 0.991 217 V HN 0.880 nan 8.190 nan 0.000 0.427 218 D N 2.625 123.112 120.400 0.145 0.000 2.344 218 D HA 0.542 5.182 4.640 -0.000 0.000 0.244 218 D C 0.493 176.869 176.300 0.128 0.000 1.134 218 D CA 0.093 54.186 54.000 0.155 0.000 0.930 218 D CB 1.031 41.850 40.800 0.031 0.000 1.175 218 D HN 0.880 nan 8.370 nan 0.000 0.437 219 A N 1.573 124.302 122.820 -0.152 0.000 2.546 219 A HA -0.018 4.301 4.320 -0.000 0.000 0.243 219 A C 1.378 178.733 177.584 -0.382 0.000 1.063 219 A CA 0.069 51.681 52.037 -0.709 0.000 0.757 219 A CB 0.351 18.767 19.000 -0.973 0.000 0.991 219 A HN 0.717 nan 8.150 nan 0.000 0.503 220 K N 1.136 121.333 120.400 -0.338 0.000 2.057 220 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 220 K C -0.189 176.248 176.600 -0.270 0.000 1.050 220 K CA 1.709 57.870 56.287 -0.210 0.000 0.935 220 K CB 0.038 32.454 32.500 -0.139 0.000 0.715 220 K HN 0.725 nan 8.250 nan 0.000 0.439 221 T N 0.695 115.018 114.554 -0.385 0.000 2.933 221 T HA 0.484 4.833 4.350 -0.000 0.000 0.305 221 T C -0.721 173.564 174.700 -0.691 0.000 1.092 221 T CA -0.710 61.072 62.100 -0.530 0.000 1.008 221 T CB 2.000 70.507 68.868 -0.602 0.000 1.102 221 T HN 0.038 nan 8.240 nan 0.000 0.469 222 I N 2.536 122.682 120.570 -0.705 0.000 2.436 222 I HA 0.480 4.650 4.170 -0.000 0.000 0.289 222 I C -1.116 174.603 176.117 -0.662 0.000 1.010 222 I CA -0.880 60.061 61.300 -0.600 0.000 1.098 222 I CB 1.436 39.202 38.000 -0.390 0.000 1.266 222 I HN 0.528 nan 8.210 nan 0.000 0.434 223 F N 3.074 122.824 119.950 -0.333 0.000 2.415 223 F HA 0.314 4.841 4.527 -0.000 0.000 0.348 223 F C 1.186 176.847 175.800 -0.232 0.000 1.119 223 F CA -0.573 57.164 58.000 -0.437 0.000 1.069 223 F CB 1.675 40.060 39.000 -1.025 0.000 1.124 223 F HN 0.445 nan 8.300 nan 0.000 0.472 224 T N -2.070 112.532 114.554 0.080 0.000 3.266 224 T HA 0.229 4.578 4.350 -0.000 0.000 0.278 224 T C 1.453 176.307 174.700 0.257 0.000 1.010 224 T CA 0.098 62.289 62.100 0.153 0.000 0.909 224 T CB 0.212 69.129 68.868 0.082 0.000 1.122 224 T HN 0.691 nan 8.240 nan 0.000 0.536 225 G N 0.574 109.644 108.800 0.450 0.000 2.464 225 G HA2 0.006 3.966 3.960 -0.000 0.000 0.217 225 G HA3 0.006 3.966 3.960 -0.000 0.000 0.217 225 G C 0.628 175.600 174.900 0.120 0.000 1.138 225 G CA 0.058 45.339 45.100 0.303 0.000 0.793 225 G HN 0.550 nan 8.290 nan 0.000 0.539 226 H N 0.114 119.346 119.070 0.271 0.000 2.690 226 H HA 0.226 4.782 4.556 -0.001 0.000 0.365 226 H C 0.917 176.292 175.328 0.078 0.000 1.142 226 H CA 1.191 57.324 56.048 0.141 0.000 1.417 226 H CB 1.321 31.166 29.762 0.138 0.000 1.446 226 H HN 0.141 nan 8.280 nan 0.000 0.599 227 T N -1.075 113.553 114.554 0.124 0.000 3.228 227 T HA 0.646 4.996 4.350 -0.000 0.000 0.278 227 T C 0.266 174.758 174.700 -0.348 0.000 1.014 227 T CA -0.141 61.964 62.100 0.008 0.000 0.904 227 T CB -0.008 68.880 68.868 0.034 0.000 1.110 227 T HN 0.680 nan 8.240 nan 0.000 0.541 228 A N 0.293 122.768 122.820 -0.575 0.000 2.536 228 A HA 0.689 5.009 4.320 -0.000 0.000 0.293 228 A C -0.656 176.624 177.584 -0.507 0.000 1.119 228 A CA -0.835 50.713 52.037 -0.816 0.000 0.654 228 A CB 0.554 19.392 19.000 -0.270 0.000 1.291 228 A HN 0.274 nan 8.150 nan 0.000 0.439 229 V N 0.841 120.651 119.914 -0.174 0.000 2.678 229 V HA 0.050 4.170 4.120 -0.000 0.000 0.304 229 V C 0.298 176.366 176.094 -0.044 0.000 1.086 229 V CA 0.416 62.739 62.300 0.039 0.000 1.246 229 V CB 0.317 32.185 31.823 0.075 0.000 0.861 229 V HN 0.582 nan 8.190 nan 0.000 0.491 230 V N 6.319 126.231 119.914 -0.003 0.000 2.368 230 V HA 0.207 4.327 4.120 -0.000 0.000 0.266 230 V C 1.115 177.212 176.094 0.006 0.000 1.045 230 V CA -0.284 61.969 62.300 -0.078 0.000 0.899 230 V CB 1.031 32.865 31.823 0.018 0.000 1.006 230 V HN 0.930 nan 8.190 nan 0.000 0.470 231 E N 2.206 122.402 120.200 -0.006 0.000 2.230 231 E HA 0.070 4.420 4.350 -0.000 0.000 0.192 231 E C 0.092 176.751 176.600 0.098 0.000 0.987 231 E CA 0.595 57.038 56.400 0.072 0.000 0.841 231 E CB 0.492 30.219 29.700 0.044 0.000 0.783 231 E HN 0.774 nan 8.360 nan 0.000 0.481 232 D N -0.978 119.465 120.400 0.072 0.000 2.654 232 D HA 0.307 4.947 4.640 -0.000 0.000 0.231 232 D C -1.807 174.559 176.300 0.109 0.000 1.239 232 D CA -0.557 53.501 54.000 0.096 0.000 0.790 232 D CB 2.356 43.215 40.800 0.098 0.000 1.480 232 D HN -0.172 nan 8.370 nan 0.000 0.442 233 V N 1.063 121.041 119.914 0.106 0.000 2.971 233 V HA 0.847 4.967 4.120 -0.000 0.000 0.309 233 V C -1.592 174.569 176.094 0.112 0.000 1.130 233 V CA -0.182 62.183 62.300 0.108 0.000 0.964 233 V CB 2.083 33.899 31.823 -0.012 0.000 1.029 233 V HN 0.536 nan 8.190 nan 0.000 0.427 234 S N 4.666 120.483 115.700 0.195 0.000 2.566 234 S HA 0.577 5.047 4.470 -0.000 0.000 0.273 234 S C -1.465 173.294 174.600 0.265 0.000 1.157 234 S CA -0.585 57.780 58.200 0.276 0.000 0.938 234 S CB 0.940 64.404 63.200 0.440 0.000 1.087 234 S HN 0.707 nan 8.310 nan 0.000 0.474 235 W N 3.849 125.248 121.300 0.164 0.000 2.137 235 W HA 0.253 4.913 4.660 -0.001 0.000 0.344 235 W C 1.281 177.639 176.519 -0.267 0.000 1.286 235 W CA -0.004 57.370 57.345 0.048 0.000 1.240 235 W CB 0.262 29.743 29.460 0.034 0.000 1.141 235 W HN 0.617 nan 8.180 nan 0.000 0.579 236 H N 2.787 121.626 119.070 -0.386 0.000 2.871 236 H HA 0.006 4.561 4.556 -0.001 0.000 0.355 236 H C 0.845 176.054 175.328 -0.198 0.000 1.092 236 H CA 0.767 56.350 56.048 -0.776 0.000 1.420 236 H CB 0.920 30.363 29.762 -0.530 0.000 1.400 236 H HN 0.493 nan 8.280 nan 0.000 0.604 237 L N 4.405 125.383 121.223 -0.408 0.000 2.509 237 L HA 0.010 4.350 4.340 -0.000 0.000 0.222 237 L C 1.686 178.524 176.870 -0.053 0.000 1.123 237 L CA 0.350 55.094 54.840 -0.159 0.000 0.856 237 L CB 0.184 42.123 42.059 -0.201 0.000 0.985 237 L HN 0.542 nan 8.230 nan 0.000 0.456 238 L N -2.347 118.962 121.223 0.144 0.000 2.685 238 L HA 0.213 4.553 4.340 -0.000 0.000 0.235 238 L C 0.619 177.572 176.870 0.139 0.000 1.070 238 L CA -0.126 54.790 54.840 0.126 0.000 0.888 238 L CB 0.313 42.428 42.059 0.093 0.000 1.203 238 L HN 0.125 nan 8.230 nan 0.000 0.499 239 H N 1.964 121.136 119.070 0.170 0.000 2.641 239 H HA 0.106 4.662 4.556 -0.001 0.000 0.295 239 H C 0.547 175.878 175.328 0.006 0.000 1.070 239 H CA -0.303 55.709 56.048 -0.061 0.000 1.257 239 H CB 1.241 30.804 29.762 -0.332 0.000 1.393 239 H HN 0.343 nan 8.280 nan 0.000 0.464 240 E N 1.825 122.133 120.200 0.180 0.000 2.333 240 E HA -0.097 4.253 4.350 -0.000 0.000 0.198 240 E C 0.476 177.202 176.600 0.210 0.000 1.007 240 E CA 1.117 57.552 56.400 0.059 0.000 0.845 240 E CB 0.270 29.920 29.700 -0.083 0.000 0.766 240 E HN 0.277 nan 8.360 nan 0.000 0.507 241 S N 0.320 116.273 115.700 0.421 0.000 2.517 241 S HA 0.210 4.680 4.470 -0.000 0.000 0.214 241 S C 0.547 175.329 174.600 0.303 0.000 0.991 241 S CA -0.123 58.282 58.200 0.342 0.000 0.906 241 S CB 0.145 63.493 63.200 0.246 0.000 0.789 241 S HN 0.160 nan 8.310 nan 0.000 0.513 242 L N 2.306 123.654 121.223 0.207 0.000 2.325 242 L HA 0.686 5.025 4.340 -0.000 0.000 0.278 242 L C -0.678 176.348 176.870 0.260 0.000 1.023 242 L CA -0.975 53.896 54.840 0.052 0.000 0.811 242 L CB 1.297 43.206 42.059 -0.249 0.000 1.249 242 L HN 0.259 nan 8.230 nan 0.000 0.431 243 F N -0.108 119.817 119.950 -0.042 0.000 2.686 243 F HA 0.900 5.427 4.527 0.000 0.000 0.311 243 F C -0.265 175.642 175.800 0.179 0.000 1.128 243 F CA -0.863 57.069 58.000 -0.114 0.000 0.946 243 F CB 1.459 40.099 39.000 -0.599 0.000 1.336 243 F HN 0.399 nan 8.300 nan 0.000 0.457 244 G N 0.220 109.379 108.800 0.598 0.000 2.473 244 G HA2 0.642 4.602 3.960 -0.000 0.000 0.321 244 G HA3 0.642 4.602 3.960 -0.000 0.000 0.321 244 G C -1.633 173.557 174.900 0.483 0.000 1.200 244 G CA -0.711 44.689 45.100 0.500 0.000 0.963 244 G HN 1.154 nan 8.290 nan 0.000 0.483 245 S N -1.493 114.464 115.700 0.429 0.000 2.569 245 S HA 0.806 5.275 4.470 -0.000 0.000 0.280 245 S C -0.658 174.137 174.600 0.324 0.000 1.111 245 S CA -0.585 57.874 58.200 0.431 0.000 0.887 245 S CB 1.677 65.267 63.200 0.650 0.000 1.095 245 S HN 1.710 nan 8.310 nan 0.000 0.476 246 V N -1.704 118.296 119.914 0.143 0.000 2.925 246 V HA 1.063 5.183 4.120 -0.000 0.000 0.311 246 V C -0.166 175.823 176.094 -0.176 0.000 1.104 246 V CA -0.517 61.797 62.300 0.024 0.000 0.954 246 V CB 0.826 32.674 31.823 0.042 0.000 1.022 246 V HN 1.666 nan 8.190 nan 0.000 0.427 247 A N 1.680 124.362 122.820 -0.231 0.000 2.524 247 A HA 0.791 5.110 4.320 -0.000 0.000 0.289 247 A C 0.002 177.511 177.584 -0.126 0.000 1.248 247 A CA -0.187 51.674 52.037 -0.293 0.000 0.712 247 A CB 1.345 19.933 19.000 -0.685 0.000 1.312 247 A HN 0.742 nan 8.150 nan 0.000 0.441 248 D N 0.480 120.818 120.400 -0.104 0.000 2.348 248 D HA -0.027 4.613 4.640 -0.000 0.000 0.216 248 D C 0.637 176.912 176.300 -0.043 0.000 0.970 248 D CA 1.411 55.376 54.000 -0.058 0.000 0.889 248 D CB -0.041 40.732 40.800 -0.045 0.000 0.912 248 D HN 0.615 nan 8.370 nan 0.000 0.524 249 D N 0.152 120.526 120.400 -0.043 0.000 2.338 249 D HA -0.111 4.528 4.640 -0.000 0.000 0.239 249 D C 0.325 176.644 176.300 0.033 0.000 1.095 249 D CA 0.156 54.159 54.000 0.006 0.000 0.888 249 D CB -0.340 40.486 40.800 0.044 0.000 0.899 249 D HN 0.116 nan 8.370 nan 0.000 0.525 250 Q N -1.697 118.121 119.800 0.030 0.000 2.424 250 Q HA -0.204 4.136 4.340 -0.000 0.000 0.234 250 Q C -0.538 175.510 176.000 0.079 0.000 0.748 250 Q CA 0.981 56.822 55.803 0.063 0.000 1.286 250 Q CB -1.714 27.063 28.738 0.065 0.000 1.494 250 Q HN 0.429 nan 8.270 nan 0.000 0.683 251 K N 0.839 121.287 120.400 0.080 0.000 2.138 251 K HA 0.567 4.887 4.320 -0.000 0.000 0.263 251 K C -0.597 176.055 176.600 0.087 0.000 0.965 251 K CA -0.840 55.490 56.287 0.071 0.000 0.868 251 K CB 1.476 34.036 32.500 0.100 0.000 1.083 251 K HN 0.005 nan 8.250 nan 0.000 0.443 252 L N 3.343 124.530 121.223 -0.060 0.000 2.289 252 L HA 0.427 4.767 4.340 -0.000 0.000 0.285 252 L C -0.960 175.826 176.870 -0.140 0.000 1.049 252 L CA 0.094 54.870 54.840 -0.107 0.000 0.804 252 L CB 0.886 42.711 42.059 -0.391 0.000 1.195 252 L HN 0.601 nan 8.230 nan 0.000 0.428 253 M N 5.617 125.175 119.600 -0.070 0.000 2.383 253 M HA 0.496 4.975 4.480 -0.000 0.000 0.325 253 M C -1.115 174.980 176.300 -0.342 0.000 1.092 253 M CA -0.673 54.424 55.300 -0.338 0.000 0.961 253 M CB 2.057 34.342 32.600 -0.525 0.000 1.672 253 M HN 0.374 nan 8.290 nan 0.000 0.438 254 I N 1.938 122.232 120.570 -0.460 0.000 2.378 254 I HA 0.383 4.553 4.170 -0.000 0.000 0.291 254 I C -1.148 174.614 176.117 -0.592 0.000 0.992 254 I CA -0.482 60.629 61.300 -0.314 0.000 1.154 254 I CB 0.924 38.896 38.000 -0.047 0.000 1.315 254 I HN 0.737 nan 8.210 nan 0.000 0.448 255 W N 3.994 124.894 121.300 -0.668 0.000 2.639 255 W HA 0.457 5.117 4.660 0.000 0.000 0.347 255 W C -0.030 176.099 176.519 -0.650 0.000 1.067 255 W CA -0.388 56.444 57.345 -0.856 0.000 1.218 255 W CB 1.194 29.567 29.460 -1.812 0.000 1.393 255 W HN 0.314 nan 8.180 nan 0.000 0.557 256 D N 0.509 120.849 120.400 -0.100 0.000 2.481 256 D HA 0.108 4.748 4.640 -0.000 0.000 0.246 256 D C 1.100 177.499 176.300 0.166 0.000 1.109 256 D CA -0.250 53.745 54.000 -0.008 0.000 0.845 256 D CB 1.705 42.486 40.800 -0.033 0.000 1.160 256 D HN 0.494 nan 8.370 nan 0.000 0.534 257 T N 1.523 116.247 114.554 0.285 0.000 2.977 257 T HA -0.108 4.241 4.350 -0.000 0.000 0.271 257 T C 1.546 176.417 174.700 0.285 0.000 1.105 257 T CA 0.752 63.093 62.100 0.402 0.000 1.116 257 T CB -0.024 69.139 68.868 0.492 0.000 0.878 257 T HN 0.346 nan 8.240 nan 0.000 0.509 258 R N 1.280 121.900 120.500 0.201 0.000 2.237 258 R HA 0.167 4.506 4.340 -0.000 0.000 0.219 258 R C 1.387 177.759 176.300 0.120 0.000 1.080 258 R CA 0.379 56.566 56.100 0.145 0.000 0.995 258 R CB -0.152 30.216 30.300 0.114 0.000 0.875 258 R HN 0.356 nan 8.270 nan 0.000 0.462 259 S N 0.628 116.409 115.700 0.135 0.000 2.548 259 S HA 0.056 4.526 4.470 -0.000 0.000 0.277 259 S C 0.798 175.470 174.600 0.120 0.000 1.315 259 S CA -0.695 57.572 58.200 0.110 0.000 1.050 259 S CB 0.700 63.968 63.200 0.112 0.000 0.918 259 S HN 0.148 nan 8.310 nan 0.000 0.497 260 N N 3.051 121.796 118.700 0.076 0.000 2.459 260 N HA -0.001 4.739 4.740 -0.000 0.000 0.181 260 N C -0.107 175.436 175.510 0.054 0.000 1.046 260 N CA 0.407 53.490 53.050 0.055 0.000 0.904 260 N CB -0.367 38.139 38.487 0.032 0.000 0.964 260 N HN 0.545 nan 8.380 nan 0.000 0.444 261 N N 0.426 119.175 118.700 0.082 0.000 2.439 261 N HA 0.060 4.799 4.740 -0.000 0.000 0.249 261 N C 0.422 176.037 175.510 0.176 0.000 1.003 261 N CA 0.080 53.184 53.050 0.089 0.000 0.942 261 N CB 0.766 39.294 38.487 0.069 0.000 1.115 261 N HN 0.069 nan 8.380 nan 0.000 0.505 262 T N -1.070 113.555 114.554 0.120 0.000 3.086 262 T HA 0.012 4.362 4.350 -0.000 0.000 0.250 262 T C 1.303 176.162 174.700 0.264 0.000 1.074 262 T CA 0.380 62.569 62.100 0.149 0.000 0.988 262 T CB -0.168 68.552 68.868 -0.247 0.000 0.988 262 T HN 0.358 nan 8.240 nan 0.000 0.530 263 S N -0.258 115.580 115.700 0.231 0.000 2.511 263 S HA 0.296 4.766 4.470 -0.000 0.000 0.214 263 S C 0.469 175.208 174.600 0.232 0.000 0.997 263 S CA -0.551 57.779 58.200 0.216 0.000 0.908 263 S CB -0.047 63.212 63.200 0.098 0.000 0.803 263 S HN 0.450 nan 8.310 nan 0.000 0.504 264 K N 2.542 123.060 120.400 0.197 0.000 2.578 264 K HA 0.455 4.775 4.320 -0.000 0.000 0.250 264 K C -3.103 173.358 176.600 -0.232 0.000 0.955 264 K CA -2.061 54.206 56.287 -0.034 0.000 0.825 264 K CB 2.047 34.521 32.500 -0.044 0.000 1.151 264 K HN 0.065 nan 8.250 nan 0.000 0.432 265 P HA 0.145 nan 4.420 nan 0.000 0.277 265 P C 0.154 177.076 177.300 -0.630 0.000 1.276 265 P CA -0.298 62.092 63.100 -1.184 0.000 0.788 265 P CB 0.904 31.484 31.700 -1.867 0.000 1.114 266 S N -1.703 113.653 115.700 -0.572 0.000 2.387 266 S HA -0.016 4.454 4.470 -0.000 0.000 0.226 266 S C 0.662 174.775 174.600 -0.812 0.000 1.026 266 S CA 0.908 58.780 58.200 -0.547 0.000 0.972 266 S CB -0.485 62.454 63.200 -0.434 0.000 0.814 266 S HN 0.529 nan 8.310 nan 0.000 0.477 267 H N -0.476 118.369 119.070 -0.374 0.000 2.895 267 H HA 0.574 5.130 4.556 -0.000 0.000 0.373 267 H C -1.056 174.038 175.328 -0.390 0.000 1.174 267 H CA -0.467 55.394 56.048 -0.311 0.000 1.144 267 H CB 1.876 31.495 29.762 -0.238 0.000 1.793 267 H HN 0.096 nan 8.280 nan 0.000 0.551 268 S N 1.741 117.333 115.700 -0.180 0.000 2.733 268 S HA 0.450 4.919 4.470 -0.000 0.000 0.294 268 S C -1.155 173.344 174.600 -0.168 0.000 1.149 268 S CA -0.591 57.472 58.200 -0.228 0.000 1.034 268 S CB 0.462 63.523 63.200 -0.231 0.000 1.015 268 S HN 0.327 nan 8.310 nan 0.000 0.486 269 V N 4.599 124.386 119.914 -0.211 0.000 2.448 269 V HA 0.426 4.545 4.120 -0.000 0.000 0.295 269 V C -0.568 175.417 176.094 -0.182 0.000 1.025 269 V CA -0.966 61.183 62.300 -0.252 0.000 0.859 269 V CB 1.820 33.334 31.823 -0.515 0.000 0.988 269 V HN 0.820 nan 8.190 nan 0.000 0.431 270 D N 4.203 124.546 120.400 -0.094 0.000 2.383 270 D HA 0.283 4.923 4.640 -0.000 0.000 0.245 270 D C 0.822 177.128 176.300 0.009 0.000 1.263 270 D CA 0.234 54.218 54.000 -0.027 0.000 0.936 270 D CB 1.780 42.581 40.800 0.002 0.000 1.053 270 D HN 0.682 nan 8.370 nan 0.000 0.507 271 A N 3.201 126.026 122.820 0.009 0.000 1.997 271 A HA 0.025 4.345 4.320 -0.000 0.000 0.212 271 A C 0.765 178.329 177.584 -0.034 0.000 1.178 271 A CA 0.810 52.895 52.037 0.080 0.000 0.698 271 A CB 0.370 19.397 19.000 0.046 0.000 0.842 271 A HN 0.534 nan 8.150 nan 0.000 0.458 272 H N -2.318 116.835 119.070 0.137 0.000 2.990 272 H HA 0.258 4.814 4.556 -0.000 0.000 0.343 272 H C -0.099 175.257 175.328 0.047 0.000 1.270 272 H CA 0.377 56.480 56.048 0.092 0.000 1.118 272 H CB 1.198 31.002 29.762 0.070 0.000 1.861 272 H HN 0.152 nan 8.280 nan 0.000 0.544 273 T N -1.517 113.138 114.554 0.169 0.000 3.235 273 T HA 0.627 4.977 4.350 -0.000 0.000 0.251 273 T C 0.525 175.263 174.700 0.064 0.000 1.060 273 T CA 0.296 62.449 62.100 0.087 0.000 0.949 273 T CB -0.126 68.775 68.868 0.056 0.000 1.020 273 T HN 0.643 nan 8.240 nan 0.000 0.564 274 A N 0.634 123.496 122.820 0.071 0.000 2.506 274 A HA 0.653 4.973 4.320 -0.000 0.000 0.305 274 A C -1.477 176.102 177.584 -0.008 0.000 1.166 274 A CA -1.136 50.909 52.037 0.014 0.000 0.638 274 A CB 0.254 19.241 19.000 -0.021 0.000 1.336 274 A HN 0.265 nan 8.150 nan 0.000 0.493 275 E N -0.084 120.086 120.200 -0.050 0.000 2.481 275 E HA 0.345 4.694 4.350 -0.000 0.000 0.263 275 E C -0.646 175.875 176.600 -0.131 0.000 0.992 275 E CA 0.432 56.790 56.400 -0.070 0.000 0.938 275 E CB 0.436 30.092 29.700 -0.074 0.000 0.933 275 E HN 0.404 nan 8.360 nan 0.000 0.453 276 V N 4.119 123.973 119.914 -0.098 0.000 2.347 276 V HA 0.138 4.258 4.120 -0.000 0.000 0.280 276 V C 0.508 176.540 176.094 -0.103 0.000 1.021 276 V CA -0.644 61.575 62.300 -0.134 0.000 0.847 276 V CB 1.329 33.155 31.823 0.005 0.000 0.990 276 V HN 0.618 nan 8.190 nan 0.000 0.444 277 N N 2.520 121.136 118.700 -0.141 0.000 2.356 277 N HA 0.114 4.854 4.740 -0.000 0.000 0.178 277 N C 0.223 175.742 175.510 0.016 0.000 1.075 277 N CA 0.603 53.617 53.050 -0.061 0.000 0.889 277 N CB 0.710 39.109 38.487 -0.146 0.000 0.999 277 N HN 0.820 nan 8.380 nan 0.000 0.464 278 C N -0.196 119.107 119.300 0.005 0.000 3.239 278 C HA 0.821 5.281 4.460 -0.000 0.000 0.329 278 C C -0.645 174.386 174.990 0.068 0.000 1.252 278 C CA -1.564 57.486 59.018 0.054 0.000 1.323 278 C CB 0.706 28.482 27.740 0.060 0.000 1.663 278 C HN 0.212 nan 8.230 nan 0.000 0.487 279 L N -0.156 121.123 121.223 0.093 0.000 2.403 279 L HA 1.008 5.348 4.340 -0.000 0.000 0.253 279 L C -0.665 176.282 176.870 0.127 0.000 1.045 279 L CA -0.329 54.566 54.840 0.092 0.000 0.845 279 L CB 1.781 43.866 42.059 0.044 0.000 1.447 279 L HN 0.996 nan 8.230 nan 0.000 0.411 280 S N 0.128 115.912 115.700 0.140 0.000 2.562 280 S HA 0.688 5.158 4.470 -0.000 0.000 0.274 280 S C -1.534 173.316 174.600 0.416 0.000 1.160 280 S CA -0.401 57.986 58.200 0.312 0.000 0.933 280 S CB 0.934 64.323 63.200 0.316 0.000 1.100 280 S HN 0.504 nan 8.310 nan 0.000 0.468 281 F N 3.542 123.700 119.950 0.347 0.000 2.399 281 F HA 0.451 4.977 4.527 -0.000 0.000 0.334 281 F C 0.995 176.675 175.800 -0.201 0.000 1.097 281 F CA -0.565 57.502 58.000 0.112 0.000 1.076 281 F CB 1.006 39.978 39.000 -0.046 0.000 1.162 281 F HN 0.557 nan 8.300 nan 0.000 0.495 282 N N 4.657 123.057 118.700 -0.499 0.000 2.470 282 N HA 0.122 4.862 4.740 -0.000 0.000 0.268 282 N C -1.851 173.335 175.510 -0.539 0.000 1.136 282 N CA -1.593 50.768 53.050 -1.149 0.000 0.961 282 N CB 1.434 39.091 38.487 -1.383 0.000 1.067 282 N HN 0.231 nan 8.380 nan 0.000 0.468 283 P HA -0.025 nan 4.420 nan 0.000 0.236 283 P C 0.137 177.048 177.300 -0.649 0.000 1.177 283 P CA 1.086 63.852 63.100 -0.557 0.000 0.773 283 P CB 0.094 31.377 31.700 -0.695 0.000 0.878 284 Y N -1.181 118.974 120.300 -0.240 0.000 2.453 284 Y HA 0.254 4.804 4.550 -0.000 0.000 0.247 284 Y C 0.591 176.384 175.900 -0.178 0.000 1.124 284 Y CA -0.137 57.856 58.100 -0.179 0.000 1.243 284 Y CB 0.813 39.180 38.460 -0.155 0.000 1.213 284 Y HN -0.199 nan 8.280 nan 0.000 0.523 285 S N 0.977 116.604 115.700 -0.122 0.000 2.745 285 S HA 0.074 4.543 4.470 -0.000 0.000 0.283 285 S C 0.643 175.150 174.600 -0.155 0.000 1.170 285 S CA -0.789 57.342 58.200 -0.116 0.000 1.119 285 S CB 0.758 63.881 63.200 -0.128 0.000 1.035 285 S HN 0.506 nan 8.310 nan 0.000 0.483 286 E N 2.039 122.114 120.200 -0.207 0.000 2.338 286 E HA -0.108 4.242 4.350 -0.000 0.000 0.197 286 E C 0.266 176.784 176.600 -0.136 0.000 1.007 286 E CA 1.270 57.541 56.400 -0.216 0.000 0.849 286 E CB -0.259 29.225 29.700 -0.359 0.000 0.774 286 E HN 0.716 nan 8.360 nan 0.000 0.506 287 F N 0.794 120.842 119.950 0.163 0.000 2.721 287 F HA 0.273 4.800 4.527 -0.000 0.000 0.301 287 F C 0.670 176.575 175.800 0.174 0.000 1.096 287 F CA -0.588 57.518 58.000 0.176 0.000 1.308 287 F CB 0.643 39.709 39.000 0.110 0.000 1.086 287 F HN -0.050 nan 8.300 nan 0.000 0.587 288 I N 2.780 123.485 120.570 0.225 0.000 2.412 288 I HA 0.467 4.637 4.170 -0.000 0.000 0.296 288 I C -0.156 176.042 176.117 0.135 0.000 0.987 288 I CA -0.866 60.533 61.300 0.166 0.000 1.180 288 I CB 1.127 39.140 38.000 0.022 0.000 1.340 288 I HN 0.003 nan 8.210 nan 0.000 0.455 289 L N 3.085 124.473 121.223 0.275 0.000 2.502 289 L HA 1.073 5.413 4.340 -0.000 0.000 0.253 289 L C -1.069 176.129 176.870 0.548 0.000 1.070 289 L CA -0.827 54.191 54.840 0.297 0.000 0.871 289 L CB 2.199 44.087 42.059 -0.284 0.000 1.487 289 L HN 0.551 nan 8.230 nan 0.000 0.408 290 A N 0.169 123.287 122.820 0.497 0.000 2.498 290 A HA 0.925 5.244 4.320 -0.000 0.000 0.298 290 A C -0.584 177.183 177.584 0.305 0.000 1.075 290 A CA -0.027 52.232 52.037 0.369 0.000 0.714 290 A CB 1.850 20.881 19.000 0.051 0.000 1.299 290 A HN 0.966 nan 8.150 nan 0.000 0.407 291 T N -1.112 113.677 114.554 0.391 0.000 2.907 291 T HA 0.829 5.179 4.350 -0.000 0.000 0.292 291 T C -0.017 174.831 174.700 0.246 0.000 1.043 291 T CA -0.181 62.125 62.100 0.343 0.000 1.003 291 T CB 1.860 71.063 68.868 0.557 0.000 1.084 291 T HN 1.625 nan 8.240 nan 0.000 0.483 292 G N -0.218 108.607 108.800 0.041 0.000 2.519 292 G HA2 0.653 4.613 3.960 -0.000 0.000 0.307 292 G HA3 0.653 4.613 3.960 -0.000 0.000 0.307 292 G C -1.222 173.483 174.900 -0.325 0.000 1.266 292 G CA -0.779 44.260 45.100 -0.103 0.000 0.970 292 G HN 0.949 nan 8.290 nan 0.000 0.481 293 S N -0.635 114.809 115.700 -0.427 0.000 2.579 293 S HA 0.585 5.055 4.470 -0.000 0.000 0.272 293 S C 1.181 175.557 174.600 -0.373 0.000 1.141 293 S CA 0.432 58.320 58.200 -0.520 0.000 0.843 293 S CB 1.506 64.125 63.200 -0.970 0.000 1.122 293 S HN 1.562 nan 8.310 nan 0.000 0.468 294 A N 1.685 124.304 122.820 -0.335 0.000 2.131 294 A HA -0.069 4.250 4.320 -0.000 0.000 0.220 294 A C 1.392 178.890 177.584 -0.144 0.000 1.158 294 A CA 2.091 53.974 52.037 -0.257 0.000 0.665 294 A CB -0.933 17.951 19.000 -0.194 0.000 0.795 294 A HN 0.934 nan 8.150 nan 0.000 0.460 295 D N -1.284 119.050 120.400 -0.110 0.000 2.378 295 D HA -0.074 4.566 4.640 -0.000 0.000 0.227 295 D C 0.627 176.925 176.300 -0.003 0.000 1.012 295 D CA 0.731 54.718 54.000 -0.022 0.000 0.905 295 D CB -0.465 40.370 40.800 0.058 0.000 0.895 295 D HN 0.533 nan 8.370 nan 0.000 0.532 296 K N -1.817 118.559 120.400 -0.041 0.000 3.509 296 K HA -0.143 4.177 4.320 -0.000 0.000 0.302 296 K C -0.011 176.643 176.600 0.091 0.000 1.355 296 K CA 1.218 57.519 56.287 0.023 0.000 0.953 296 K CB -2.592 29.949 32.500 0.068 0.000 1.321 296 K HN 0.549 nan 8.250 nan 0.000 0.461 297 T N -2.644 111.947 114.554 0.062 0.000 2.942 297 T HA 0.694 5.044 4.350 -0.000 0.000 0.289 297 T C -0.042 174.723 174.700 0.109 0.000 1.044 297 T CA -0.876 61.288 62.100 0.106 0.000 1.023 297 T CB 2.496 71.420 68.868 0.094 0.000 1.123 297 T HN -0.056 nan 8.240 nan 0.000 0.512 298 V N 1.421 121.387 119.914 0.086 0.000 2.459 298 V HA 0.740 4.860 4.120 -0.000 0.000 0.295 298 V C 0.426 176.609 176.094 0.149 0.000 1.029 298 V CA -0.821 61.538 62.300 0.099 0.000 0.874 298 V CB 1.025 32.786 31.823 -0.102 0.000 0.985 298 V HN 1.302 nan 8.190 nan 0.000 0.438 299 A N 4.806 127.733 122.820 0.178 0.000 2.312 299 A HA 0.867 5.187 4.320 -0.000 0.000 0.328 299 A C -1.007 176.432 177.584 -0.242 0.000 1.158 299 A CA -0.533 51.396 52.037 -0.180 0.000 0.821 299 A CB 1.218 19.954 19.000 -0.440 0.000 1.170 299 A HN 0.745 nan 8.150 nan 0.000 0.490 300 L N 1.355 122.320 121.223 -0.429 0.000 2.307 300 L HA 0.781 5.121 4.340 -0.000 0.000 0.284 300 L C -1.431 175.128 176.870 -0.518 0.000 1.023 300 L CA -0.180 54.559 54.840 -0.168 0.000 0.810 300 L CB 0.790 42.891 42.059 0.071 0.000 1.231 300 L HN 0.737 nan 8.230 nan 0.000 0.423 301 W N 3.320 124.704 121.300 0.140 0.000 2.844 301 W HA 0.488 5.148 4.660 -0.000 0.000 0.340 301 W C -0.687 175.891 176.519 0.098 0.000 1.093 301 W CA -0.557 56.831 57.345 0.073 0.000 1.212 301 W CB 1.436 30.915 29.460 0.032 0.000 1.422 301 W HN 0.378 nan 8.180 nan 0.000 0.515 302 D N 2.009 122.600 120.400 0.317 0.000 2.391 302 D HA 0.248 4.888 4.640 -0.000 0.000 0.245 302 D C 0.601 177.010 176.300 0.181 0.000 1.069 302 D CA -0.333 53.805 54.000 0.231 0.000 0.831 302 D CB 1.967 42.845 40.800 0.131 0.000 1.204 302 D HN 0.433 nan 8.370 nan 0.000 0.503 303 L N 3.197 124.552 121.223 0.220 0.000 2.265 303 L HA -0.086 4.254 4.340 -0.000 0.000 0.215 303 L C 2.255 179.117 176.870 -0.014 0.000 1.117 303 L CA 0.803 55.716 54.840 0.122 0.000 0.782 303 L CB -0.043 42.186 42.059 0.284 0.000 0.914 303 L HN 0.272 nan 8.230 nan 0.000 0.441 304 R N -0.289 120.180 120.500 -0.051 0.000 2.189 304 R HA -0.035 4.305 4.340 -0.000 0.000 0.218 304 R C 0.393 176.628 176.300 -0.109 0.000 1.074 304 R CA 0.562 56.566 56.100 -0.160 0.000 0.991 304 R CB -0.112 29.988 30.300 -0.333 0.000 0.883 304 R HN 0.163 nan 8.270 nan 0.000 0.457 305 N N -0.071 118.588 118.700 -0.067 0.000 2.793 305 N HA 0.084 4.823 4.740 -0.000 0.000 0.251 305 N C -0.439 175.077 175.510 0.010 0.000 1.308 305 N CA -0.116 52.909 53.050 -0.041 0.000 0.781 305 N CB 0.791 39.264 38.487 -0.025 0.000 1.439 305 N HN -0.053 nan 8.380 nan 0.000 0.562 306 L N 1.626 122.827 121.223 -0.036 0.000 2.599 306 L HA 0.118 4.458 4.340 -0.000 0.000 0.230 306 L C 2.449 179.364 176.870 0.075 0.000 1.141 306 L CA 0.561 55.416 54.840 0.025 0.000 0.877 306 L CB -0.330 41.629 42.059 -0.166 0.000 1.009 306 L HN 0.541 nan 8.230 nan 0.000 0.447 307 K N 0.937 121.368 120.400 0.052 0.000 2.097 307 K HA 0.160 4.480 4.320 -0.000 0.000 0.206 307 K C 0.844 177.509 176.600 0.109 0.000 1.049 307 K CA 1.749 58.069 56.287 0.056 0.000 0.933 307 K CB -1.192 31.324 32.500 0.026 0.000 0.717 307 K HN 0.253 nan 8.250 nan 0.000 0.442 308 L N 1.382 122.677 121.223 0.121 0.000 2.333 308 L HA 0.668 5.008 4.340 -0.000 0.000 0.280 308 L C 0.157 177.072 176.870 0.075 0.000 1.004 308 L CA -1.194 53.693 54.840 0.079 0.000 0.820 308 L CB 0.709 42.779 42.059 0.019 0.000 1.247 308 L HN 0.464 nan 8.230 nan 0.000 0.416 309 K N 2.189 122.537 120.400 -0.086 0.000 2.448 309 K HA 0.321 4.641 4.320 -0.000 0.000 0.278 309 K C 0.881 177.269 176.600 -0.354 0.000 1.009 309 K CA -0.089 55.852 56.287 -0.576 0.000 0.995 309 K CB 0.572 32.668 32.500 -0.673 0.000 0.917 309 K HN 0.798 nan 8.250 nan 0.000 0.481 310 L N 2.170 123.184 121.223 -0.348 0.000 2.072 310 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 310 L C 0.761 177.535 176.870 -0.160 0.000 1.079 310 L CA 0.941 55.677 54.840 -0.173 0.000 0.752 310 L CB -0.222 41.784 42.059 -0.088 0.000 0.906 310 L HN 0.731 nan 8.230 nan 0.000 0.436 311 H N -2.155 116.660 119.070 -0.424 0.000 3.042 311 H HA 0.318 4.873 4.556 -0.000 0.000 0.346 311 H C -1.312 173.677 175.328 -0.565 0.000 1.294 311 H CA -0.803 54.950 56.048 -0.492 0.000 1.141 311 H CB 1.844 31.223 29.762 -0.638 0.000 1.872 311 H HN -0.221 nan 8.280 nan 0.000 0.541 312 S N 3.261 118.305 115.700 -1.094 0.000 2.596 312 S HA 0.471 4.941 4.470 -0.000 0.000 0.318 312 S C -1.507 172.587 174.600 -0.844 0.000 1.097 312 S CA -0.574 57.189 58.200 -0.729 0.000 1.080 312 S CB -0.113 62.816 63.200 -0.450 0.000 0.991 312 S HN 0.377 nan 8.310 nan 0.000 0.471 313 F N 3.369 123.029 119.950 -0.485 0.000 2.404 313 F HA 0.422 4.949 4.527 -0.000 0.000 0.358 313 F C 0.869 176.401 175.800 -0.446 0.000 1.120 313 F CA -0.344 57.260 58.000 -0.661 0.000 1.144 313 F CB 1.057 39.187 39.000 -1.450 0.000 1.133 313 F HN 0.493 nan 8.300 nan 0.000 0.495 314 E N 1.697 121.929 120.200 0.054 0.000 2.224 314 E HA 0.477 4.827 4.350 -0.000 0.000 0.265 314 E C -0.041 176.786 176.600 0.377 0.000 0.878 314 E CA -0.393 56.115 56.400 0.180 0.000 0.759 314 E CB 2.077 31.813 29.700 0.059 0.000 1.164 314 E HN 0.584 nan 8.360 nan 0.000 0.414 315 S N 1.407 117.331 115.700 0.373 0.000 1.540 315 S HA -0.050 4.420 4.470 -0.000 0.000 0.173 315 S C -0.146 174.528 174.600 0.124 0.000 0.670 315 S CA -0.280 58.059 58.200 0.231 0.000 1.643 315 S CB -0.070 63.260 63.200 0.218 0.000 0.977 315 S HN 0.602 nan 8.310 nan 0.000 0.367 316 H N 2.137 121.346 119.070 0.232 0.000 2.852 316 H HA 0.284 4.840 4.556 -0.000 0.000 0.362 316 H C 0.620 175.997 175.328 0.081 0.000 1.122 316 H CA 0.670 56.799 56.048 0.136 0.000 1.419 316 H CB 0.766 30.614 29.762 0.143 0.000 1.401 316 H HN 0.346 nan 8.280 nan 0.000 0.609 317 K N 0.844 121.352 120.400 0.179 0.000 2.358 317 K HA 0.091 4.410 4.320 -0.000 0.000 0.200 317 K C -0.083 176.565 176.600 0.079 0.000 1.030 317 K CA 0.049 56.396 56.287 0.100 0.000 1.097 317 K CB 0.917 33.454 32.500 0.062 0.000 0.862 317 K HN 0.499 nan 8.250 nan 0.000 0.534 318 D N 0.435 120.888 120.400 0.088 0.000 2.692 318 D HA 0.010 4.650 4.640 -0.000 0.000 0.303 318 D C -1.419 174.859 176.300 -0.036 0.000 1.278 318 D CA -0.541 53.477 54.000 0.031 0.000 0.852 318 D CB 1.443 42.267 40.800 0.040 0.000 1.375 318 D HN -0.031 nan 8.370 nan 0.000 0.453 319 E N 0.819 120.959 120.200 -0.100 0.000 2.465 319 E HA 0.137 4.487 4.350 -0.000 0.000 0.260 319 E C -0.319 176.046 176.600 -0.392 0.000 0.980 319 E CA 0.115 56.345 56.400 -0.283 0.000 0.927 319 E CB 0.394 29.870 29.700 -0.373 0.000 0.934 319 E HN 0.249 nan 8.360 nan 0.000 0.459 320 I N 5.446 125.738 120.570 -0.463 0.000 2.342 320 I HA 0.061 4.231 4.170 -0.000 0.000 0.291 320 I C 0.220 176.035 176.117 -0.504 0.000 1.010 320 I CA -0.189 60.863 61.300 -0.415 0.000 1.308 320 I CB 0.649 38.451 38.000 -0.330 0.000 1.400 320 I HN 0.710 nan 8.210 nan 0.000 0.488 321 F N 2.929 122.825 119.950 -0.089 0.000 2.694 321 F HA 0.179 4.706 4.527 -0.000 0.000 0.292 321 F C 0.880 176.666 175.800 -0.024 0.000 1.121 321 F CA -0.137 57.821 58.000 -0.071 0.000 1.352 321 F CB 0.504 39.449 39.000 -0.091 0.000 1.107 321 F HN 0.394 nan 8.300 nan 0.000 0.597 322 Q N 0.520 120.437 119.800 0.196 0.000 2.359 322 Q HA 0.624 4.963 4.340 -0.000 0.000 0.274 322 Q C -1.753 174.400 176.000 0.256 0.000 1.074 322 Q CA -0.687 55.224 55.803 0.179 0.000 0.810 322 Q CB 2.569 31.394 28.738 0.144 0.000 1.342 322 Q HN -0.105 nan 8.270 nan 0.000 0.427 323 V N 3.794 123.806 119.914 0.163 0.000 2.808 323 V HA 0.701 4.820 4.120 -0.000 0.000 0.308 323 V C -1.942 174.236 176.094 0.140 0.000 1.099 323 V CA -0.234 62.190 62.300 0.207 0.000 0.920 323 V CB 2.226 34.098 31.823 0.082 0.000 1.014 323 V HN 0.846 nan 8.190 nan 0.000 0.425 324 Q N 4.508 124.476 119.800 0.279 0.000 2.309 324 Q HA 0.343 4.683 4.340 -0.000 0.000 0.273 324 Q C -1.571 174.650 176.000 0.368 0.000 1.040 324 Q CA -0.324 55.659 55.803 0.300 0.000 0.834 324 Q CB 2.437 31.372 28.738 0.329 0.000 1.345 324 Q HN 0.805 nan 8.270 nan 0.000 0.414 325 W N 1.167 122.606 121.300 0.231 0.000 2.170 325 W HA 0.199 4.859 4.660 -0.001 0.000 0.336 325 W C 1.270 177.601 176.519 -0.314 0.000 1.283 325 W CA 0.227 57.601 57.345 0.049 0.000 1.224 325 W CB 0.715 30.180 29.460 0.010 0.000 1.132 325 W HN 0.435 nan 8.180 nan 0.000 0.571 326 S N 4.182 119.589 115.700 -0.488 0.000 2.546 326 S HA 0.006 4.476 4.470 -0.000 0.000 0.290 326 S C -0.805 173.446 174.600 -0.582 0.000 1.290 326 S CA -0.973 56.434 58.200 -1.321 0.000 1.069 326 S CB 0.580 63.094 63.200 -1.143 0.000 0.846 326 S HN 0.329 nan 8.310 nan 0.000 0.495 327 P HA 0.012 nan 4.420 nan 0.000 0.237 327 P C 0.002 177.065 177.300 -0.395 0.000 1.178 327 P CA 1.088 63.938 63.100 -0.416 0.000 0.766 327 P CB -0.074 31.361 31.700 -0.441 0.000 0.876 328 H N -1.940 117.023 119.070 -0.178 0.000 3.255 328 H HA 0.286 4.842 4.556 -0.000 0.000 0.256 328 H C 0.007 175.149 175.328 -0.309 0.000 1.049 328 H CA -0.104 55.821 56.048 -0.205 0.000 1.202 328 H CB 0.444 30.006 29.762 -0.334 0.000 1.497 328 H HN 0.090 nan 8.280 nan 0.000 0.503 329 N N 1.252 119.817 118.700 -0.224 0.000 2.533 329 N HA -0.003 4.737 4.740 -0.000 0.000 0.289 329 N C 0.313 175.773 175.510 -0.083 0.000 1.103 329 N CA -0.292 52.629 53.050 -0.215 0.000 0.877 329 N CB 1.858 40.220 38.487 -0.208 0.000 1.419 329 N HN 0.197 nan 8.380 nan 0.000 0.517 330 E N 0.829 120.968 120.200 -0.102 0.000 2.333 330 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 330 E C 0.916 177.615 176.600 0.165 0.000 1.007 330 E CA 1.463 57.896 56.400 0.056 0.000 0.845 330 E CB -0.293 29.390 29.700 -0.029 0.000 0.766 330 E HN 0.644 nan 8.360 nan 0.000 0.507 331 T N -1.279 113.384 114.554 0.183 0.000 3.086 331 T HA 0.252 4.602 4.350 -0.000 0.000 0.250 331 T C 0.768 175.691 174.700 0.372 0.000 1.074 331 T CA -0.432 61.845 62.100 0.294 0.000 0.988 331 T CB -0.023 68.976 68.868 0.218 0.000 0.988 331 T HN -0.027 nan 8.240 nan 0.000 0.530 332 I N 2.392 123.149 120.570 0.313 0.000 2.378 332 I HA 0.655 4.824 4.170 -0.000 0.000 0.291 332 I C -0.441 175.786 176.117 0.183 0.000 0.992 332 I CA -1.560 59.865 61.300 0.209 0.000 1.154 332 I CB 1.358 39.352 38.000 -0.009 0.000 1.315 332 I HN 0.284 nan 8.210 nan 0.000 0.448 333 L N 5.614 126.924 121.223 0.145 0.000 2.359 333 L HA 1.034 5.374 4.340 -0.000 0.000 0.256 333 L C -1.162 175.969 176.870 0.434 0.000 1.026 333 L CA -0.216 54.661 54.840 0.062 0.000 0.828 333 L CB 2.255 43.892 42.059 -0.703 0.000 1.406 333 L HN 0.657 nan 8.230 nan 0.000 0.413 334 A N 0.913 124.065 122.820 0.553 0.000 2.515 334 A HA 0.955 5.275 4.320 -0.000 0.000 0.296 334 A C -1.134 176.754 177.584 0.507 0.000 1.094 334 A CA 0.056 52.372 52.037 0.466 0.000 0.718 334 A CB 1.685 20.798 19.000 0.189 0.000 1.307 334 A HN 1.248 nan 8.150 nan 0.000 0.408 335 S N -0.209 115.726 115.700 0.391 0.000 2.556 335 S HA 0.900 5.370 4.470 -0.000 0.000 0.271 335 S C -0.524 174.264 174.600 0.313 0.000 1.135 335 S CA 0.105 58.578 58.200 0.455 0.000 0.858 335 S CB 1.457 64.970 63.200 0.521 0.000 1.114 335 S HN 2.237 nan 8.310 nan 0.000 0.468 336 S N 0.267 116.118 115.700 0.251 0.000 2.625 336 S HA 1.030 5.499 4.470 -0.000 0.000 0.271 336 S C 0.013 174.643 174.600 0.049 0.000 1.161 336 S CA -0.292 58.000 58.200 0.154 0.000 0.820 336 S CB 1.082 64.398 63.200 0.194 0.000 1.137 336 S HN 2.166 nan 8.310 nan 0.000 0.470 337 G N 0.117 108.955 108.800 0.064 0.000 2.498 337 G HA2 0.353 4.313 3.960 -0.000 0.000 0.181 337 G HA3 0.353 4.313 3.960 -0.000 0.000 0.181 337 G C 0.245 175.229 174.900 0.139 0.000 1.169 337 G CA 0.243 45.421 45.100 0.131 0.000 0.992 337 G HN 0.818 nan 8.290 nan 0.000 0.490 338 T N 1.451 116.105 114.554 0.166 0.000 2.915 338 T HA -0.022 4.328 4.350 -0.000 0.000 0.269 338 T C 1.715 176.463 174.700 0.079 0.000 1.071 338 T CA 2.050 64.233 62.100 0.138 0.000 1.132 338 T CB -0.336 68.629 68.868 0.160 0.000 0.878 338 T HN 0.644 nan 8.240 nan 0.000 0.479 339 D N 0.985 121.435 120.400 0.085 0.000 2.352 339 D HA -0.047 4.593 4.640 -0.000 0.000 0.232 339 D C 0.839 177.172 176.300 0.055 0.000 1.055 339 D CA -0.037 54.011 54.000 0.079 0.000 0.891 339 D CB -0.434 40.440 40.800 0.122 0.000 0.897 339 D HN 0.353 nan 8.370 nan 0.000 0.529 340 R N -1.707 118.822 120.500 0.048 0.000 3.963 340 R HA -0.173 4.166 4.340 -0.000 0.000 0.394 340 R C -0.234 176.063 176.300 -0.005 0.000 1.131 340 R CA 0.753 56.858 56.100 0.007 0.000 1.059 340 R CB -2.033 28.255 30.300 -0.021 0.000 1.614 340 R HN 0.277 nan 8.270 nan 0.000 0.546 341 R N 0.674 121.203 120.500 0.048 0.000 2.664 341 R HA 0.606 4.946 4.340 -0.000 0.000 0.286 341 R C -0.609 175.758 176.300 0.112 0.000 0.967 341 R CA -0.842 55.265 56.100 0.012 0.000 0.933 341 R CB 1.670 31.954 30.300 -0.027 0.000 1.146 341 R HN 0.019 nan 8.270 nan 0.000 0.468 342 L N 2.633 123.890 121.223 0.058 0.000 2.325 342 L HA 0.461 4.801 4.340 -0.000 0.000 0.281 342 L C -1.258 175.613 176.870 0.002 0.000 1.004 342 L CA -0.751 54.136 54.840 0.078 0.000 0.823 342 L CB 1.325 43.443 42.059 0.098 0.000 1.236 342 L HN 0.569 nan 8.230 nan 0.000 0.415 343 N N 3.609 122.268 118.700 -0.069 0.000 2.399 343 N HA 0.491 5.231 4.740 -0.000 0.000 0.295 343 N C -1.054 174.241 175.510 -0.358 0.000 1.048 343 N CA -0.337 52.485 53.050 -0.381 0.000 0.886 343 N CB 2.541 40.544 38.487 -0.806 0.000 1.185 343 N HN 0.239 nan 8.380 nan 0.000 0.487 344 V N 2.069 121.806 119.914 -0.296 0.000 2.459 344 V HA 0.509 4.629 4.120 -0.000 0.000 0.295 344 V C -0.749 175.248 176.094 -0.162 0.000 1.029 344 V CA -0.727 61.563 62.300 -0.017 0.000 0.874 344 V CB 0.811 32.845 31.823 0.353 0.000 0.985 344 V HN 0.555 nan 8.190 nan 0.000 0.438 345 W N 1.849 123.235 121.300 0.142 0.000 2.706 345 W HA 0.672 5.331 4.660 -0.001 0.000 0.346 345 W C -0.482 176.117 176.519 0.132 0.000 1.071 345 W CA -0.528 56.852 57.345 0.058 0.000 1.206 345 W CB 1.396 30.649 29.460 -0.345 0.000 1.413 345 W HN 0.448 nan 8.180 nan 0.000 0.542 346 D N 2.045 122.716 120.400 0.452 0.000 2.476 346 D HA 0.108 4.748 4.640 -0.000 0.000 0.251 346 D C 0.356 176.879 176.300 0.372 0.000 1.291 346 D CA -0.572 53.651 54.000 0.371 0.000 0.939 346 D CB 1.371 42.368 40.800 0.329 0.000 1.221 346 D HN 0.360 nan 8.370 nan 0.000 0.567 347 L N 2.447 123.896 121.223 0.378 0.000 2.362 347 L HA 0.056 4.396 4.340 -0.000 0.000 0.219 347 L C 1.671 178.657 176.870 0.193 0.000 1.134 347 L CA 1.749 56.793 54.840 0.339 0.000 0.807 347 L CB -1.303 41.006 42.059 0.417 0.000 0.927 347 L HN 0.309 nan 8.230 nan 0.000 0.447 348 S N -0.967 114.848 115.700 0.193 0.000 2.515 348 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 348 S C 1.688 176.357 174.600 0.115 0.000 0.987 348 S CA 0.578 58.859 58.200 0.136 0.000 0.936 348 S CB -0.500 62.781 63.200 0.135 0.000 0.766 348 S HN 0.672 nan 8.310 nan 0.000 0.528 349 K N 0.359 120.843 120.400 0.140 0.000 2.374 349 K HA 0.363 4.683 4.320 -0.000 0.000 0.196 349 K C -0.064 176.592 176.600 0.093 0.000 1.023 349 K CA -0.227 56.135 56.287 0.124 0.000 1.103 349 K CB 0.069 32.666 32.500 0.161 0.000 0.848 349 K HN 0.415 nan 8.250 nan 0.000 0.528 350 I N 1.497 122.092 120.570 0.042 0.000 2.826 350 I HA -0.167 4.002 4.170 -0.000 0.000 0.295 350 I C 1.301 177.416 176.117 -0.003 0.000 1.213 350 I CA 1.114 62.382 61.300 -0.052 0.000 1.436 350 I CB 0.244 38.077 38.000 -0.279 0.000 1.348 350 I HN 0.513 nan 8.210 nan 0.000 0.570 351 G N 3.973 112.789 108.800 0.026 0.000 2.176 351 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.253 351 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.253 351 G C 0.127 175.051 174.900 0.039 0.000 0.979 351 G CA -0.370 44.749 45.100 0.032 0.000 0.641 351 G HN 0.658 nan 8.290 nan 0.000 0.530 352 E N 1.541 121.771 120.200 0.051 0.000 2.313 352 E HA 0.509 4.858 4.350 -0.000 0.000 0.276 352 E C 0.756 177.384 176.600 0.047 0.000 1.031 352 E CA 0.271 56.701 56.400 0.050 0.000 0.857 352 E CB 0.567 30.303 29.700 0.060 0.000 1.040 352 E HN 0.615 nan 8.360 nan 0.000 0.408 353 E N 3.495 123.717 120.200 0.038 0.000 2.480 353 E HA -0.022 4.328 4.350 -0.000 0.000 0.258 353 E C -0.090 176.531 176.600 0.035 0.000 0.984 353 E CA 0.163 56.582 56.400 0.032 0.000 0.930 353 E CB 0.058 29.773 29.700 0.026 0.000 0.936 353 E HN 0.449 nan 8.360 nan 0.000 0.466 354 Q N 0.401 120.221 119.800 0.034 0.000 2.416 354 Q HA 0.687 5.027 4.340 -0.000 0.000 0.279 354 Q C 0.050 176.064 176.000 0.023 0.000 1.101 354 Q CA -0.539 55.283 55.803 0.032 0.000 0.830 354 Q CB 1.431 30.193 28.738 0.040 0.000 1.402 354 Q HN 0.604 nan 8.270 nan 0.000 0.445 361 D N 0.466 120.872 120.400 0.010 0.000 2.433 361 D HA 0.355 4.995 4.640 -0.000 0.000 0.211 361 D C 0.544 176.845 176.300 0.001 0.000 1.114 361 D CA 0.943 54.941 54.000 -0.004 0.000 0.837 361 D CB 1.839 42.626 40.800 -0.021 0.000 0.984 361 D HN 0.317 nan 8.370 nan 0.000 0.505 362 G N 1.704 110.520 108.800 0.028 0.000 2.352 362 G HA2 0.079 4.039 3.960 -0.000 0.000 0.302 362 G HA3 0.079 4.039 3.960 -0.000 0.000 0.302 362 G C -3.082 171.873 174.900 0.091 0.000 1.370 362 G CA -0.979 44.154 45.100 0.056 0.000 0.918 362 G HN -0.253 nan 8.290 nan 0.000 0.610 363 P HA 0.291 nan 4.420 nan 0.000 0.274 363 P C -1.890 175.518 177.300 0.181 0.000 1.246 363 P CA -1.082 62.124 63.100 0.177 0.000 0.795 363 P CB 1.480 33.336 31.700 0.261 0.000 1.006 364 P HA -0.138 nan 4.420 nan 0.000 0.221 364 P C 1.158 178.581 177.300 0.205 0.000 1.150 364 P CA 1.434 64.623 63.100 0.149 0.000 0.800 364 P CB -0.061 31.708 31.700 0.115 0.000 0.787 365 E N 0.052 120.425 120.200 0.288 0.000 2.516 365 E HA -0.095 4.255 4.350 -0.000 0.000 0.199 365 E C 0.574 177.481 176.600 0.512 0.000 1.069 365 E CA 0.058 56.705 56.400 0.411 0.000 0.876 365 E CB -0.738 29.271 29.700 0.516 0.000 0.843 365 E HN 0.223 nan 8.360 nan 0.000 0.530 366 L N 2.000 123.446 121.223 0.372 0.000 2.295 366 L HA 0.114 4.454 4.340 -0.000 0.000 0.288 366 L C 0.809 177.717 176.870 0.063 0.000 1.079 366 L CA -0.256 54.647 54.840 0.104 0.000 0.830 366 L CB 0.897 42.924 42.059 -0.054 0.000 1.200 366 L HN 0.011 nan 8.230 nan 0.000 0.438 367 L N 5.814 127.092 121.223 0.090 0.000 2.162 367 L HA 0.350 4.689 4.340 -0.000 0.000 0.205 367 L C -0.275 176.724 176.870 0.215 0.000 1.086 367 L CA 1.136 56.080 54.840 0.173 0.000 0.778 367 L CB -0.038 42.177 42.059 0.261 0.000 0.928 367 L HN 0.607 nan 8.230 nan 0.000 0.446 368 F N -0.854 119.052 119.950 -0.073 0.000 2.654 368 F HA 0.443 4.969 4.527 -0.001 0.000 0.314 368 F C -1.308 174.411 175.800 -0.135 0.000 1.116 368 F CA -1.266 56.699 58.000 -0.057 0.000 1.017 368 F CB 1.192 40.226 39.000 0.056 0.000 1.285 368 F HN -0.288 nan 8.300 nan 0.000 0.448 369 I N 5.093 125.297 120.570 -0.610 0.000 2.330 369 I HA 0.193 4.363 4.170 -0.000 0.000 0.289 369 I C -0.788 174.932 176.117 -0.661 0.000 1.001 369 I CA -0.825 60.172 61.300 -0.506 0.000 1.193 369 I CB 1.255 39.011 38.000 -0.406 0.000 1.345 369 I HN 0.547 nan 8.210 nan 0.000 0.461 370 H N 5.606 124.437 119.070 -0.398 0.000 2.934 370 H HA 0.322 4.877 4.556 -0.000 0.000 0.273 370 H C 0.826 175.948 175.328 -0.344 0.000 1.121 370 H CA -0.633 55.195 56.048 -0.366 0.000 1.451 370 H CB 1.016 30.421 29.762 -0.595 0.000 1.469 370 H HN 0.690 nan 8.280 nan 0.000 0.476 371 G N 2.793 111.167 108.800 -0.711 0.000 3.523 371 G HA2 0.083 4.043 3.960 -0.000 0.000 0.270 371 G HA3 0.083 4.043 3.960 -0.000 0.000 0.270 371 G C 1.392 175.452 174.900 -1.401 0.000 1.134 371 G CA 0.109 44.772 45.100 -0.728 0.000 0.825 371 G HN 0.756 nan 8.290 nan 0.000 0.534 372 G N -0.165 107.286 108.800 -2.248 0.000 2.448 372 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.218 372 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.218 372 G C 0.644 174.798 174.900 -1.243 0.000 1.135 372 G CA 0.034 43.586 45.100 -2.581 0.000 0.784 372 G HN 0.467 nan 8.290 nan 0.000 0.543 373 H N -0.003 118.641 119.070 -0.711 0.000 2.511 373 H HA 0.267 4.822 4.556 -0.000 0.000 0.346 373 H C 0.632 175.774 175.328 -0.310 0.000 1.128 373 H CA 0.974 56.805 56.048 -0.362 0.000 1.342 373 H CB 1.545 31.189 29.762 -0.196 0.000 1.470 373 H HN 0.135 nan 8.280 nan 0.000 0.546 374 T N -0.725 113.738 114.554 -0.152 0.000 3.228 374 T HA 0.617 4.967 4.350 -0.000 0.000 0.278 374 T C 0.298 174.941 174.700 -0.095 0.000 1.014 374 T CA -0.338 61.658 62.100 -0.173 0.000 0.904 374 T CB 0.050 68.719 68.868 -0.332 0.000 1.110 374 T HN 0.649 nan 8.240 nan 0.000 0.541 375 A N 0.908 123.703 122.820 -0.042 0.000 2.602 375 A HA 0.692 5.012 4.320 -0.000 0.000 0.290 375 A C -0.727 176.842 177.584 -0.025 0.000 1.114 375 A CA -1.178 50.840 52.037 -0.032 0.000 0.683 375 A CB 1.088 20.070 19.000 -0.030 0.000 1.281 375 A HN 0.310 nan 8.150 nan 0.000 0.416 376 K N 0.781 121.169 120.400 -0.020 0.000 2.524 376 K HA 0.130 4.450 4.320 -0.000 0.000 0.279 376 K C -0.779 175.786 176.600 -0.059 0.000 0.993 376 K CA 0.403 56.680 56.287 -0.016 0.000 1.030 376 K CB -0.089 32.406 32.500 -0.010 0.000 0.891 376 K HN 0.462 nan 8.250 nan 0.000 0.488 377 I N 4.275 124.807 120.570 -0.064 0.000 2.352 377 I HA -0.031 4.139 4.170 -0.000 0.000 0.290 377 I C 1.014 177.110 176.117 -0.035 0.000 1.036 377 I CA -0.124 61.104 61.300 -0.120 0.000 1.336 377 I CB 1.618 39.542 38.000 -0.126 0.000 1.407 377 I HN 0.717 nan 8.210 nan 0.000 0.497 378 S N 3.145 118.811 115.700 -0.057 0.000 2.439 378 S HA 0.028 4.497 4.470 -0.000 0.000 0.224 378 S C 0.256 174.849 174.600 -0.011 0.000 1.029 378 S CA 0.505 58.664 58.200 -0.069 0.000 0.946 378 S CB -0.009 63.147 63.200 -0.072 0.000 0.797 378 S HN 0.758 nan 8.310 nan 0.000 0.504 379 D N -1.248 119.181 120.400 0.048 0.000 2.694 379 D HA 0.499 5.139 4.640 -0.000 0.000 0.260 379 D C -1.714 174.695 176.300 0.181 0.000 1.250 379 D CA -0.666 53.371 54.000 0.062 0.000 0.763 379 D CB 1.426 42.223 40.800 -0.005 0.000 1.311 379 D HN 0.097 nan 8.370 nan 0.000 0.420 380 F N -0.804 119.166 119.950 0.033 0.000 2.741 380 F HA 0.760 5.287 4.527 -0.000 0.000 0.313 380 F C -1.514 174.313 175.800 0.044 0.000 1.153 380 F CA -0.772 57.244 58.000 0.027 0.000 0.931 380 F CB 1.669 40.696 39.000 0.044 0.000 1.335 380 F HN 0.154 nan 8.300 nan 0.000 0.460 381 S N 0.779 116.594 115.700 0.192 0.000 2.614 381 S HA 0.497 4.967 4.470 -0.000 0.000 0.275 381 S C -2.070 172.830 174.600 0.500 0.000 1.161 381 S CA -0.556 57.786 58.200 0.236 0.000 0.969 381 S CB 0.559 63.878 63.200 0.197 0.000 1.059 381 S HN 0.664 nan 8.310 nan 0.000 0.482 382 W N 3.910 125.442 121.300 0.387 0.000 2.253 382 W HA 0.325 4.985 4.660 -0.001 0.000 0.322 382 W C 1.054 177.654 176.519 0.135 0.000 1.342 382 W CA -0.254 57.234 57.345 0.238 0.000 1.218 382 W CB 0.366 29.889 29.460 0.105 0.000 1.205 382 W HN 0.600 nan 8.180 nan 0.000 0.551 383 N N 5.454 124.130 118.700 -0.040 0.000 2.452 383 N HA 0.013 4.753 4.740 -0.000 0.000 0.266 383 N C -1.337 174.115 175.510 -0.096 0.000 1.209 383 N CA -0.811 51.839 53.050 -0.667 0.000 0.929 383 N CB 1.294 39.099 38.487 -1.135 0.000 1.063 383 N HN 0.184 nan 8.380 nan 0.000 0.472 384 P HA 0.077 nan 4.420 nan 0.000 0.251 384 P C 0.114 177.490 177.300 0.126 0.000 1.223 384 P CA 0.500 63.606 63.100 0.011 0.000 0.796 384 P CB 0.668 32.396 31.700 0.048 0.000 1.068 385 N N -0.294 118.469 118.700 0.106 0.000 2.348 385 N HA 0.056 4.796 4.740 -0.000 0.000 0.183 385 N C 0.162 175.715 175.510 0.073 0.000 1.094 385 N CA 0.497 53.620 53.050 0.121 0.000 0.885 385 N CB 0.725 39.265 38.487 0.089 0.000 1.065 385 N HN 0.181 nan 8.380 nan 0.000 0.472 386 E N 1.594 121.782 120.200 -0.021 0.000 2.235 386 E HA 0.364 4.713 4.350 -0.000 0.000 0.252 386 E C -2.619 173.879 176.600 -0.170 0.000 0.886 386 E CA -1.900 54.434 56.400 -0.110 0.000 0.767 386 E CB 2.199 31.811 29.700 -0.147 0.000 1.205 386 E HN -0.031 nan 8.360 nan 0.000 0.421 387 P HA -0.099 nan 4.420 nan 0.000 0.264 387 P C -0.355 176.923 177.300 -0.036 0.000 1.183 387 P CA 0.520 63.340 63.100 -0.467 0.000 0.763 387 P CB 0.131 31.569 31.700 -0.437 0.000 0.807 388 W N -0.494 120.805 121.300 -0.001 0.000 1.628 388 W HA -0.217 4.443 4.660 -0.000 0.000 0.245 388 W C -0.119 176.357 176.519 -0.073 0.000 0.995 388 W CA -0.004 57.362 57.345 0.035 0.000 0.424 388 W CB -2.141 27.219 29.460 -0.168 0.000 2.004 388 W HN 0.066 nan 8.180 nan 0.000 1.271 389 V N 2.854 122.789 119.914 0.035 0.000 2.521 389 V HA 0.243 4.363 4.120 -0.000 0.000 0.286 389 V C 0.674 176.634 176.094 -0.224 0.000 1.034 389 V CA 0.320 62.533 62.300 -0.145 0.000 1.045 389 V CB 0.601 32.290 31.823 -0.223 0.000 0.974 389 V HN 0.027 nan 8.190 nan 0.000 0.480 390 I N 4.342 124.604 120.570 -0.513 0.000 2.646 390 I HA 0.428 4.597 4.170 -0.000 0.000 0.299 390 I C -0.401 175.632 176.117 -0.140 0.000 1.036 390 I CA -0.374 60.651 61.300 -0.458 0.000 1.074 390 I CB 2.060 39.350 38.000 -1.183 0.000 1.258 390 I HN 0.655 nan 8.210 nan 0.000 0.430 391 C N 5.167 124.635 119.300 0.281 0.000 2.303 391 C HA 0.784 5.244 4.460 -0.000 0.000 0.326 391 C C 0.153 175.263 174.990 0.200 0.000 1.285 391 C CA -0.230 58.875 59.018 0.145 0.000 1.675 391 C CB -0.133 27.440 27.740 -0.278 0.000 2.289 391 C HN 0.808 nan 8.230 nan 0.000 0.512 392 S N 5.143 121.053 115.700 0.351 0.000 2.526 392 S HA 0.814 5.284 4.470 -0.000 0.000 0.293 392 S C -0.748 174.035 174.600 0.306 0.000 1.092 392 S CA -0.565 57.872 58.200 0.394 0.000 0.980 392 S CB 1.304 64.851 63.200 0.578 0.000 1.048 392 S HN 1.713 nan 8.310 nan 0.000 0.483 393 V N -0.259 119.720 119.914 0.109 0.000 2.735 393 V HA 0.976 5.095 4.120 -0.000 0.000 0.310 393 V C -0.274 175.777 176.094 -0.072 0.000 1.061 393 V CA -0.560 61.784 62.300 0.073 0.000 0.913 393 V CB 1.130 32.989 31.823 0.061 0.000 1.005 393 V HN 1.238 nan 8.190 nan 0.000 0.428 394 S N 1.629 117.315 115.700 -0.024 0.000 2.671 394 S HA 0.540 5.010 4.470 -0.000 0.000 0.299 394 S C 0.413 175.020 174.600 0.011 0.000 1.116 394 S CA -0.594 57.570 58.200 -0.060 0.000 0.912 394 S CB 1.910 65.080 63.200 -0.049 0.000 1.130 394 S HN 0.783 nan 8.310 nan 0.000 0.501 395 E N 0.583 120.781 120.200 -0.003 0.000 2.265 395 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 395 E C 0.426 177.040 176.600 0.023 0.000 0.996 395 E CA 1.318 57.729 56.400 0.018 0.000 0.832 395 E CB -0.170 29.531 29.700 0.003 0.000 0.756 395 E HN 0.787 nan 8.360 nan 0.000 0.491 396 D N -0.821 119.585 120.400 0.011 0.000 2.325 396 D HA -0.029 4.611 4.640 -0.000 0.000 0.225 396 D C -0.026 176.272 176.300 -0.003 0.000 1.096 396 D CA -0.020 53.976 54.000 -0.007 0.000 0.844 396 D CB 0.070 40.849 40.800 -0.035 0.000 0.925 396 D HN -0.025 nan 8.370 nan 0.000 0.513 397 N N -1.205 117.512 118.700 0.029 0.000 2.968 397 N HA -0.127 4.612 4.740 -0.000 0.000 0.199 397 N C -0.696 174.841 175.510 0.044 0.000 0.935 397 N CA 0.394 53.463 53.050 0.032 0.000 1.036 397 N CB -1.096 37.380 38.487 -0.018 0.000 1.008 397 N HN 0.246 nan 8.380 nan 0.000 0.568 398 I N 1.682 122.289 120.570 0.063 0.000 2.496 398 I HA 0.163 4.333 4.170 -0.000 0.000 0.285 398 I C 0.753 176.983 176.117 0.189 0.000 1.080 398 I CA 0.278 61.637 61.300 0.098 0.000 1.404 398 I CB 0.419 38.465 38.000 0.076 0.000 1.403 398 I HN 0.227 nan 8.210 nan 0.000 0.539 399 M N 7.177 126.892 119.600 0.192 0.000 2.227 399 M HA 0.333 4.813 4.480 -0.000 0.000 0.335 399 M C -0.998 175.444 176.300 0.236 0.000 1.053 399 M CA -0.378 55.056 55.300 0.223 0.000 0.973 399 M CB 1.281 33.984 32.600 0.172 0.000 1.623 399 M HN 0.538 nan 8.290 nan 0.000 0.434 400 Q N 3.165 123.151 119.800 0.310 0.000 2.342 400 Q HA 0.647 4.986 4.340 -0.000 0.000 0.267 400 Q C -1.535 174.710 176.000 0.408 0.000 1.038 400 Q CA -0.920 55.072 55.803 0.314 0.000 0.832 400 Q CB 3.197 32.074 28.738 0.231 0.000 1.323 400 Q HN 0.585 nan 8.270 nan 0.000 0.448 401 V N 3.908 124.036 119.914 0.356 0.000 2.444 401 V HA 0.593 4.712 4.120 -0.000 0.000 0.294 401 V C -0.829 175.470 176.094 0.343 0.000 1.022 401 V CA -0.589 61.894 62.300 0.305 0.000 0.850 401 V CB 0.800 32.787 31.823 0.272 0.000 0.992 401 V HN 0.713 nan 8.190 nan 0.000 0.426 402 W N 3.761 125.134 121.300 0.123 0.000 3.074 402 W HA 0.735 5.395 4.660 -0.001 0.000 0.332 402 W C -1.581 175.035 176.519 0.161 0.000 1.253 402 W CA -0.927 56.485 57.345 0.112 0.000 1.180 402 W CB 2.109 31.599 29.460 0.050 0.000 1.445 402 W HN 0.561 nan 8.180 nan 0.000 0.573 403 Q N 3.010 123.111 119.800 0.500 0.000 2.275 403 Q HA 0.325 4.665 4.340 -0.000 0.000 0.258 403 Q C -0.257 175.991 176.000 0.412 0.000 0.960 403 Q CA -0.566 55.418 55.803 0.302 0.000 0.801 403 Q CB 2.379 31.232 28.738 0.192 0.000 1.302 403 Q HN 0.575 nan 8.270 nan 0.000 0.433 404 M N 1.631 121.348 119.600 0.196 0.000 2.240 404 M HA 0.475 4.955 4.480 -0.000 0.000 0.317 404 M C -0.021 176.181 176.300 -0.164 0.000 1.087 404 M CA 0.174 55.277 55.300 -0.329 0.000 1.176 404 M CB 0.510 32.493 32.600 -1.029 0.000 1.439 404 M HN 0.581 nan 8.290 nan 0.000 0.452 405 A N 1.779 124.452 122.820 -0.246 0.000 2.511 405 A HA 0.044 4.364 4.320 -0.000 0.000 0.242 405 A C 1.087 178.448 177.584 -0.373 0.000 1.069 405 A CA 0.160 52.085 52.037 -0.186 0.000 0.763 405 A CB -0.078 18.840 19.000 -0.135 0.000 1.001 405 A HN 1.100 nan 8.150 nan 0.000 0.498 406 E N 2.300 122.254 120.200 -0.410 0.000 2.130 406 E HA -0.284 4.065 4.350 -0.000 0.000 0.196 406 E C 1.661 177.708 176.600 -0.922 0.000 0.998 406 E CA 1.747 57.632 56.400 -0.859 0.000 0.806 406 E CB -0.162 29.284 29.700 -0.424 0.000 0.738 406 E HN 0.910 nan 8.360 nan 0.000 0.459 407 N N 0.879 119.293 118.700 -0.477 0.000 2.364 407 N HA -0.194 4.546 4.740 -0.000 0.000 0.183 407 N C 1.950 177.261 175.510 -0.332 0.000 1.022 407 N CA 1.185 54.033 53.050 -0.336 0.000 0.883 407 N CB -0.422 37.958 38.487 -0.179 0.000 0.965 407 N HN 0.332 nan 8.380 nan 0.000 0.438 408 I N 0.632 120.978 120.570 -0.375 0.000 2.163 408 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 408 I C 2.184 178.173 176.117 -0.213 0.000 1.081 408 I CA 1.408 62.574 61.300 -0.224 0.000 1.353 408 I CB -0.339 37.574 38.000 -0.145 0.000 1.054 408 I HN 0.155 nan 8.210 nan 0.000 0.407 409 Y N -1.016 119.071 120.300 -0.355 0.000 2.523 409 Y HA 0.300 4.849 4.550 -0.000 0.000 0.279 409 Y C 1.109 176.899 175.900 -0.184 0.000 1.139 409 Y CA -0.440 57.454 58.100 -0.343 0.000 1.296 409 Y CB -0.715 37.247 38.460 -0.830 0.000 1.045 409 Y HN 0.044 nan 8.280 nan 0.000 0.538 410 N N 0.000 118.449 118.700 -0.419 0.000 1.763 410 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 410 N CA 0.000 52.918 53.050 -0.220 0.000 0.885 410 N CB 0.000 38.279 38.487 -0.346 0.000 1.341 410 N HN 0.000 nan 8.380 nan 0.000 0.667