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 3q08_1_N DATA FIRST_RESID 8 DATA SEQUENCE KIERGTILTQ PGVFGVFTMF KLRPDWNKVP VAERKGAAEE VKKLIEKHKD DATA SEQUENCE NVLVDLYLTR GLETNSDFFF RINAYDLAKA QTFMREFRST TVGKNADVFE DATA SEQUENCE TLVGVTKPLN YISKDKSPGL NAGLSSATYS GPAPRYVIVI PVKKNAEWWN DATA SEQUENCE MSPEERLKEM EVHTTPTLAY LVNVKRKLYH STGLDDTDFI TYFETDDLTA DATA SEQUENCE FNNLMLSLAQ VKENKFHVRW GSPTTLGTIH SPEDVIKALA D 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.645 176.600 0.075 0.000 0.988 8 K CA 0.000 56.311 56.287 0.040 0.000 0.838 8 K CB 0.000 32.514 32.500 0.024 0.000 1.064 9 I N 2.945 123.567 120.570 0.087 0.000 2.521 9 I HA 0.164 4.334 4.170 -0.000 0.000 0.277 9 I C -0.520 175.641 176.117 0.073 0.000 1.054 9 I CA -0.435 60.940 61.300 0.126 0.000 1.117 9 I CB 1.330 39.405 38.000 0.125 0.000 1.217 9 I HN 0.419 nan 8.210 nan 0.000 0.469 10 E N 5.506 125.752 120.200 0.076 0.000 2.229 10 E HA 0.151 4.501 4.350 -0.000 0.000 0.283 10 E C 0.908 177.529 176.600 0.034 0.000 1.030 10 E CA -0.293 56.135 56.400 0.046 0.000 0.836 10 E CB 1.899 31.624 29.700 0.043 0.000 1.068 10 E HN 0.497 nan 8.360 nan 0.000 0.401 11 R N 3.105 123.613 120.500 0.013 0.000 2.113 11 R HA -0.191 4.149 4.340 -0.000 0.000 0.244 11 R C 1.845 178.148 176.300 0.005 0.000 1.142 11 R CA 2.225 58.324 56.100 -0.002 0.000 0.953 11 R CB -0.451 29.844 30.300 -0.008 0.000 0.860 11 R HN 0.643 nan 8.270 nan 0.000 0.438 12 G N -1.697 107.112 108.800 0.015 0.000 2.572 12 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 12 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 12 G C 1.074 175.990 174.900 0.027 0.000 1.133 12 G CA 0.908 46.019 45.100 0.019 0.000 0.791 12 G HN 0.382 nan 8.290 nan 0.000 0.538 13 T N 0.552 115.131 114.554 0.040 0.000 2.866 13 T HA 0.081 4.431 4.350 -0.000 0.000 0.250 13 T C 2.232 176.973 174.700 0.069 0.000 1.033 13 T CA 0.359 62.496 62.100 0.061 0.000 1.145 13 T CB -0.048 68.870 68.868 0.082 0.000 0.866 13 T HN 0.182 nan 8.240 nan 0.000 0.434 14 I N 1.012 121.617 120.570 0.059 0.000 2.361 14 I HA -0.038 4.132 4.170 -0.000 0.000 0.251 14 I C 1.520 177.602 176.117 -0.060 0.000 1.133 14 I CA 1.135 62.424 61.300 -0.019 0.000 1.413 14 I CB 0.015 37.931 38.000 -0.140 0.000 1.073 14 I HN 0.201 nan 8.210 nan 0.000 0.424 15 L N -0.232 120.971 121.223 -0.035 0.000 2.610 15 L HA -0.080 4.259 4.340 -0.000 0.000 0.232 15 L C 1.855 178.706 176.870 -0.031 0.000 1.149 15 L CA 0.590 55.407 54.840 -0.038 0.000 0.872 15 L CB -0.475 41.573 42.059 -0.019 0.000 0.992 15 L HN 0.178 nan 8.230 nan 0.000 0.447 16 T N -2.056 112.492 114.554 -0.010 0.000 3.000 16 T HA 0.086 4.436 4.350 -0.000 0.000 0.248 16 T C 0.788 175.491 174.700 0.004 0.000 1.034 16 T CA 0.145 62.248 62.100 0.004 0.000 1.060 16 T CB 0.409 69.291 68.868 0.023 0.000 0.983 16 T HN 0.212 nan 8.240 nan 0.000 0.482 17 Q N 1.690 121.496 119.800 0.011 0.000 2.214 17 Q HA 0.349 4.689 4.340 -0.000 0.000 0.251 17 Q C -2.494 173.504 176.000 -0.004 0.000 0.936 17 Q CA -2.354 53.466 55.803 0.027 0.000 0.894 17 Q CB 1.433 30.229 28.738 0.097 0.000 1.252 17 Q HN 0.164 nan 8.270 nan 0.000 0.448 18 P HA 0.090 nan 4.420 nan 0.000 0.276 18 P C 0.019 177.293 177.300 -0.042 0.000 1.252 18 P CA 0.180 63.259 63.100 -0.034 0.000 0.802 18 P CB 0.637 32.319 31.700 -0.030 0.000 1.035 19 G N -0.652 108.080 108.800 -0.114 0.000 2.143 19 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.248 19 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.248 19 G C -0.196 174.545 174.900 -0.264 0.000 0.991 19 G CA -0.092 44.900 45.100 -0.180 0.000 0.689 19 G HN 0.523 nan 8.290 nan 0.000 0.522 20 V N 0.963 120.728 119.914 -0.249 0.000 2.407 20 V HA 0.626 4.746 4.120 -0.000 0.000 0.278 20 V C 0.394 176.355 176.094 -0.222 0.000 1.037 20 V CA -0.759 61.404 62.300 -0.227 0.000 0.900 20 V CB 0.986 32.708 31.823 -0.168 0.000 0.983 20 V HN 0.221 nan 8.190 nan 0.000 0.459 21 F N 2.780 122.751 119.950 0.034 0.000 2.427 21 F HA 0.581 5.108 4.527 -0.000 0.000 0.352 21 F C 1.058 176.866 175.800 0.013 0.000 1.100 21 F CA -0.114 57.923 58.000 0.061 0.000 1.191 21 F CB 1.008 40.021 39.000 0.020 0.000 1.128 21 F HN 0.527 nan 8.300 nan 0.000 0.533 22 G N 2.479 111.368 108.800 0.150 0.000 2.368 22 G HA2 0.557 4.517 3.960 -0.000 0.000 0.320 22 G HA3 0.557 4.517 3.960 -0.000 0.000 0.320 22 G C -1.530 173.239 174.900 -0.218 0.000 1.158 22 G CA -0.569 44.330 45.100 -0.334 0.000 0.912 22 G HN 0.482 nan 8.290 nan 0.000 0.456 23 V N 3.007 122.742 119.914 -0.298 0.000 2.378 23 V HA 0.460 4.580 4.120 -0.000 0.000 0.288 23 V C -0.807 175.145 176.094 -0.238 0.000 1.016 23 V CA -0.635 61.585 62.300 -0.134 0.000 0.840 23 V CB 0.774 32.560 31.823 -0.062 0.000 0.994 23 V HN 0.602 nan 8.190 nan 0.000 0.431 24 F N 2.251 122.184 119.950 -0.028 0.000 2.443 24 F HA 0.704 5.231 4.527 -0.000 0.000 0.335 24 F C 0.596 176.450 175.800 0.091 0.000 1.104 24 F CA -0.413 57.636 58.000 0.082 0.000 1.013 24 F CB 2.266 41.279 39.000 0.021 0.000 1.136 24 F HN 0.340 nan 8.300 nan 0.000 0.470 25 T N 3.812 118.583 114.554 0.361 0.000 3.031 25 T HA 0.415 4.765 4.350 -0.000 0.000 0.305 25 T C -0.612 174.213 174.700 0.209 0.000 0.985 25 T CA -0.704 61.498 62.100 0.171 0.000 1.008 25 T CB 1.081 70.018 68.868 0.114 0.000 1.005 25 T HN 0.202 nan 8.240 nan 0.000 0.444 26 M N 3.476 123.090 119.600 0.024 0.000 2.157 26 M HA 0.590 5.070 4.480 -0.000 0.000 0.354 26 M C -0.921 175.280 176.300 -0.166 0.000 1.170 26 M CA -0.618 54.703 55.300 0.035 0.000 1.060 26 M CB 0.056 32.657 32.600 0.001 0.000 1.615 26 M HN 0.471 nan 8.290 nan 0.000 0.460 27 F N 1.918 121.711 119.950 -0.261 0.000 2.508 27 F HA 0.594 5.121 4.527 -0.000 0.000 0.325 27 F C 0.170 175.755 175.800 -0.358 0.000 1.090 27 F CA -0.711 57.066 58.000 -0.371 0.000 0.945 27 F CB 1.619 40.055 39.000 -0.939 0.000 1.156 27 F HN 0.368 nan 8.300 nan 0.000 0.463 28 K N 4.736 125.212 120.400 0.128 0.000 2.413 28 K HA 0.486 4.806 4.320 -0.000 0.000 0.257 28 K C -1.247 175.439 176.600 0.143 0.000 0.946 28 K CA -0.555 55.754 56.287 0.037 0.000 0.823 28 K CB 1.075 33.446 32.500 -0.214 0.000 1.109 28 K HN 0.685 nan 8.250 nan 0.000 0.427 29 L N 4.866 126.151 121.223 0.103 0.000 2.499 29 L HA 0.140 4.480 4.340 -0.000 0.000 0.273 29 L C 0.897 177.843 176.870 0.127 0.000 1.195 29 L CA 0.111 54.992 54.840 0.069 0.000 0.882 29 L CB 0.265 42.282 42.059 -0.070 0.000 1.133 29 L HN 0.553 nan 8.230 nan 0.000 0.483 30 R N 4.140 124.742 120.500 0.170 0.000 2.615 30 R HA 0.121 4.461 4.340 -0.000 0.000 0.270 30 R C -1.420 175.003 176.300 0.204 0.000 1.081 30 R CA -1.519 54.690 56.100 0.182 0.000 1.154 30 R CB 0.250 30.656 30.300 0.177 0.000 1.063 30 R HN 0.377 nan 8.270 nan 0.000 0.519 31 P HA -0.173 nan 4.420 nan 0.000 0.218 31 P C 0.204 177.602 177.300 0.163 0.000 1.148 31 P CA 1.289 64.479 63.100 0.150 0.000 0.822 31 P CB 0.065 31.828 31.700 0.106 0.000 0.784 32 D N -1.854 118.641 120.400 0.159 0.000 2.338 32 D HA -0.145 4.495 4.640 -0.000 0.000 0.239 32 D C 1.514 177.922 176.300 0.181 0.000 1.095 32 D CA -0.048 54.032 54.000 0.133 0.000 0.888 32 D CB -1.162 39.693 40.800 0.093 0.000 0.899 32 D HN 0.397 nan 8.370 nan 0.000 0.525 33 W N 2.064 123.393 121.300 0.049 0.000 2.453 33 W HA -0.061 4.599 4.660 -0.000 0.000 0.289 33 W C 0.707 177.244 176.519 0.030 0.000 1.215 33 W CA 0.330 57.701 57.345 0.044 0.000 1.297 33 W CB -0.157 29.343 29.460 0.066 0.000 1.113 33 W HN -0.122 nan 8.180 nan 0.000 0.551 34 N N 1.215 119.933 118.700 0.029 0.000 2.443 34 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 34 N C 1.017 176.439 175.510 -0.146 0.000 1.037 34 N CA 1.289 54.281 53.050 -0.097 0.000 0.896 34 N CB -0.355 38.148 38.487 0.026 0.000 0.959 34 N HN 0.351 nan 8.380 nan 0.000 0.442 35 K N 0.201 120.537 120.400 -0.107 0.000 2.414 35 K HA 0.210 4.530 4.320 -0.000 0.000 0.204 35 K C -0.313 176.217 176.600 -0.117 0.000 1.026 35 K CA -0.121 56.113 56.287 -0.087 0.000 1.108 35 K CB 1.212 33.694 32.500 -0.029 0.000 0.855 35 K HN -0.125 nan 8.250 nan 0.000 0.517 36 V N 3.645 123.435 119.914 -0.206 0.000 2.555 36 V HA 0.088 4.208 4.120 -0.000 0.000 0.286 36 V C -2.195 173.749 176.094 -0.250 0.000 1.044 36 V CA -1.804 60.359 62.300 -0.227 0.000 1.026 36 V CB 0.658 32.277 31.823 -0.340 0.000 0.981 36 V HN 0.097 nan 8.190 nan 0.000 0.480 37 P HA -0.075 nan 4.420 nan 0.000 0.259 37 P C -0.246 176.948 177.300 -0.176 0.000 1.163 37 P CA 0.353 63.369 63.100 -0.140 0.000 0.760 37 P CB 0.221 31.862 31.700 -0.098 0.000 0.762 38 V N 3.725 123.546 119.914 -0.156 0.000 2.434 38 V HA 0.250 4.370 4.120 -0.000 0.000 0.281 38 V C 0.958 176.988 176.094 -0.107 0.000 1.005 38 V CA 1.819 64.031 62.300 -0.146 0.000 1.089 38 V CB -0.766 30.991 31.823 -0.111 0.000 0.978 38 V HN 0.894 nan 8.190 nan 0.000 0.474 39 A N 4.392 127.148 122.820 -0.105 0.000 3.421 39 A HA -0.108 4.212 4.320 -0.000 0.000 0.196 39 A C 1.609 179.152 177.584 -0.068 0.000 1.140 39 A CA 0.566 52.560 52.037 -0.071 0.000 1.631 39 A CB -1.402 17.563 19.000 -0.059 0.000 0.757 39 A HN 0.717 nan 8.150 nan 0.000 0.468 40 E N 0.193 120.340 120.200 -0.089 0.000 2.230 40 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 40 E C 2.014 178.555 176.600 -0.097 0.000 0.987 40 E CA 0.719 57.074 56.400 -0.076 0.000 0.841 40 E CB 0.001 29.656 29.700 -0.075 0.000 0.783 40 E HN 0.617 nan 8.360 nan 0.000 0.481 41 R N 0.349 120.723 120.500 -0.210 0.000 2.081 41 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 41 R C 2.235 178.516 176.300 -0.032 0.000 1.131 41 R CA 1.146 57.079 56.100 -0.277 0.000 0.960 41 R CB 0.108 30.071 30.300 -0.561 0.000 0.856 41 R HN -0.064 nan 8.270 nan 0.000 0.436 42 K N -0.688 119.681 120.400 -0.051 0.000 2.288 42 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 42 K C 1.817 178.419 176.600 0.003 0.000 1.048 42 K CA 1.176 57.455 56.287 -0.013 0.000 0.956 42 K CB 0.011 32.492 32.500 -0.030 0.000 0.746 42 K HN 0.288 nan 8.250 nan 0.000 0.461 43 G N 0.661 109.460 108.800 -0.002 0.000 2.813 43 G HA2 0.007 3.967 3.960 -0.000 0.000 0.209 43 G HA3 0.007 3.967 3.960 -0.000 0.000 0.209 43 G C 1.541 176.455 174.900 0.022 0.000 1.150 43 G CA 0.614 45.716 45.100 0.004 0.000 0.785 43 G HN 0.268 nan 8.290 nan 0.000 0.535 44 A N 1.372 124.226 122.820 0.057 0.000 1.902 44 A HA 0.227 4.546 4.320 -0.000 0.000 0.217 44 A C 2.779 180.386 177.584 0.039 0.000 1.181 44 A CA 2.136 54.221 52.037 0.080 0.000 0.623 44 A CB -0.706 18.423 19.000 0.214 0.000 0.818 44 A HN 0.645 nan 8.150 nan 0.000 0.443 45 A N -0.344 122.494 122.820 0.030 0.000 1.902 45 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 45 A C 1.960 179.551 177.584 0.012 0.000 1.181 45 A CA 2.132 54.172 52.037 0.005 0.000 0.623 45 A CB -0.510 18.483 19.000 -0.012 0.000 0.818 45 A HN 0.534 nan 8.150 nan 0.000 0.443 46 E N 0.265 120.472 120.200 0.012 0.000 2.118 46 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 46 E C 1.896 178.509 176.600 0.021 0.000 0.992 46 E CA 1.761 58.170 56.400 0.013 0.000 0.804 46 E CB -0.284 29.420 29.700 0.008 0.000 0.741 46 E HN 0.718 nan 8.360 nan 0.000 0.458 47 E N -0.769 119.441 120.200 0.018 0.000 2.150 47 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 47 E C 1.859 178.478 176.600 0.032 0.000 0.985 47 E CA 1.097 57.505 56.400 0.013 0.000 0.814 47 E CB 0.180 29.875 29.700 -0.008 0.000 0.752 47 E HN 0.210 nan 8.360 nan 0.000 0.466 48 V N 1.212 121.160 119.914 0.057 0.000 2.323 48 V HA -0.201 3.919 4.120 -0.000 0.000 0.244 48 V C 2.452 178.628 176.094 0.136 0.000 1.041 48 V CA 1.774 64.154 62.300 0.133 0.000 1.025 48 V CB -0.443 31.484 31.823 0.175 0.000 0.656 48 V HN 0.228 nan 8.190 nan 0.000 0.451 49 K N 0.226 120.676 120.400 0.084 0.000 2.074 49 K HA -0.257 4.063 4.320 -0.000 0.000 0.209 49 K C 2.253 178.904 176.600 0.085 0.000 1.048 49 K CA 1.784 58.114 56.287 0.071 0.000 0.926 49 K CB -0.118 32.404 32.500 0.037 0.000 0.713 49 K HN 0.368 nan 8.250 nan 0.000 0.444 50 K N 0.379 120.822 120.400 0.073 0.000 2.057 50 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 50 K C 2.181 178.848 176.600 0.111 0.000 1.050 50 K CA 1.008 57.337 56.287 0.071 0.000 0.935 50 K CB -0.197 32.331 32.500 0.046 0.000 0.715 50 K HN 0.102 nan 8.250 nan 0.000 0.439 51 L N 1.737 123.037 121.223 0.129 0.000 2.012 51 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 51 L C 1.998 179.080 176.870 0.354 0.000 1.073 51 L CA 1.604 56.555 54.840 0.186 0.000 0.748 51 L CB -0.215 41.891 42.059 0.078 0.000 0.891 51 L HN 0.127 nan 8.230 nan 0.000 0.431 52 I N -0.928 119.842 120.570 0.333 0.000 2.315 52 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 52 I C 2.245 178.488 176.117 0.211 0.000 1.117 52 I CA 1.224 62.720 61.300 0.326 0.000 1.404 52 I CB -0.429 37.694 38.000 0.204 0.000 1.071 52 I HN 0.337 nan 8.210 nan 0.000 0.419 53 E N 0.863 121.156 120.200 0.155 0.000 2.208 53 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 53 E C 2.098 178.762 176.600 0.106 0.000 0.988 53 E CA 0.603 57.065 56.400 0.102 0.000 0.828 53 E CB -0.016 29.725 29.700 0.067 0.000 0.763 53 E HN 0.345 nan 8.360 nan 0.000 0.478 54 K N 0.664 121.152 120.400 0.147 0.000 2.147 54 K HA -0.151 4.168 4.320 -0.000 0.000 0.205 54 K C 0.669 177.254 176.600 -0.024 0.000 1.049 54 K CA 1.204 57.532 56.287 0.069 0.000 0.936 54 K CB 0.014 32.570 32.500 0.094 0.000 0.722 54 K HN 0.191 nan 8.250 nan 0.000 0.446 55 H N 0.167 119.316 119.070 0.131 0.000 2.568 55 H HA 0.187 4.743 4.556 -0.000 0.000 0.302 55 H C 0.823 176.178 175.328 0.046 0.000 1.065 55 H CA -0.134 55.985 56.048 0.118 0.000 1.140 55 H CB 0.576 30.479 29.762 0.235 0.000 1.474 55 H HN 0.137 nan 8.280 nan 0.000 0.545 56 K N 0.290 120.749 120.400 0.099 0.000 2.117 56 K HA -0.208 4.112 4.320 -0.000 0.000 0.215 56 K C 0.424 177.053 176.600 0.050 0.000 1.053 56 K CA 1.949 58.268 56.287 0.054 0.000 0.935 56 K CB 0.091 32.611 32.500 0.034 0.000 0.719 56 K HN 0.377 nan 8.250 nan 0.000 0.460 57 D N -0.958 119.473 120.400 0.051 0.000 2.368 57 D HA 0.063 4.703 4.640 -0.000 0.000 0.218 57 D C 0.633 176.984 176.300 0.084 0.000 1.112 57 D CA 0.179 54.213 54.000 0.056 0.000 0.834 57 D CB 0.367 41.187 40.800 0.033 0.000 0.953 57 D HN 0.182 nan 8.370 nan 0.000 0.505 58 N N -0.338 118.423 118.700 0.102 0.000 2.612 58 N HA 0.044 4.784 4.740 -0.000 0.000 0.224 58 N C 0.660 176.221 175.510 0.086 0.000 1.051 58 N CA 0.517 53.647 53.050 0.132 0.000 0.889 58 N CB 1.644 40.266 38.487 0.224 0.000 1.449 58 N HN 0.076 nan 8.380 nan 0.000 0.442 59 V N -1.162 118.759 119.914 0.012 0.000 3.160 59 V HA 0.671 4.791 4.120 -0.000 0.000 0.310 59 V C -1.144 174.850 176.094 -0.165 0.000 1.181 59 V CA -1.169 61.058 62.300 -0.122 0.000 1.047 59 V CB 2.487 34.151 31.823 -0.266 0.000 1.068 59 V HN -0.051 nan 8.190 nan 0.000 0.441 60 L N 1.631 122.730 121.223 -0.206 0.000 2.333 60 L HA 0.837 5.177 4.340 -0.000 0.000 0.280 60 L C -0.774 175.950 176.870 -0.244 0.000 1.004 60 L CA -0.220 54.511 54.840 -0.181 0.000 0.820 60 L CB 1.684 43.661 42.059 -0.136 0.000 1.247 60 L HN 0.675 nan 8.230 nan 0.000 0.416 61 V N 4.290 124.067 119.914 -0.228 0.000 2.435 61 V HA 0.580 4.700 4.120 -0.000 0.000 0.290 61 V C -0.658 175.347 176.094 -0.149 0.000 1.030 61 V CA -0.633 61.537 62.300 -0.216 0.000 0.881 61 V CB 1.659 33.347 31.823 -0.226 0.000 0.983 61 V HN 0.729 nan 8.190 nan 0.000 0.445 62 D N 3.187 123.497 120.400 -0.150 0.000 2.527 62 D HA 0.671 5.310 4.640 -0.000 0.000 0.233 62 D C -1.289 174.699 176.300 -0.522 0.000 1.063 62 D CA -0.406 53.388 54.000 -0.344 0.000 0.880 62 D CB 3.150 43.758 40.800 -0.319 0.000 1.457 62 D HN 0.319 nan 8.370 nan 0.000 0.475 63 L N 1.823 122.512 121.223 -0.891 0.000 2.464 63 L HA 0.438 4.777 4.340 -0.000 0.000 0.266 63 L C -2.018 174.260 176.870 -0.987 0.000 0.965 63 L CA -0.503 53.767 54.840 -0.951 0.000 0.833 63 L CB 1.531 43.077 42.059 -0.856 0.000 1.296 63 L HN 0.313 nan 8.230 nan 0.000 0.405 64 Y N 4.322 124.292 120.300 -0.551 0.000 2.499 64 Y HA 0.652 5.202 4.550 -0.000 0.000 0.347 64 Y C -0.710 175.110 175.900 -0.133 0.000 0.987 64 Y CA -0.992 56.868 58.100 -0.400 0.000 1.044 64 Y CB 2.002 40.017 38.460 -0.742 0.000 1.245 64 Y HN 0.514 nan 8.280 nan 0.000 0.461 65 L N 2.699 124.042 121.223 0.200 0.000 2.262 65 L HA 0.441 4.780 4.340 -0.000 0.000 0.288 65 L C 0.696 177.711 176.870 0.242 0.000 1.035 65 L CA 0.220 55.183 54.840 0.205 0.000 0.820 65 L CB 0.776 42.938 42.059 0.172 0.000 1.204 65 L HN 0.881 nan 8.230 nan 0.000 0.424 66 T N 0.680 115.383 114.554 0.249 0.000 3.010 66 T HA 0.189 4.539 4.350 -0.000 0.000 0.257 66 T C 0.986 175.768 174.700 0.137 0.000 1.020 66 T CA -0.301 61.924 62.100 0.209 0.000 0.938 66 T CB -0.183 68.825 68.868 0.233 0.000 1.049 66 T HN 0.502 nan 8.240 nan 0.000 0.522 67 R N 1.263 121.843 120.500 0.133 0.000 2.486 67 R HA 0.333 4.673 4.340 -0.000 0.000 0.303 67 R C 1.480 177.826 176.300 0.077 0.000 0.958 67 R CA 1.622 57.778 56.100 0.093 0.000 1.077 67 R CB -0.569 29.789 30.300 0.097 0.000 0.921 67 R HN 0.569 nan 8.270 nan 0.000 0.406 68 G N 3.076 111.909 108.800 0.055 0.000 2.213 68 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.236 68 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.236 68 G C 0.446 175.373 174.900 0.044 0.000 0.991 68 G CA 0.223 45.352 45.100 0.048 0.000 0.629 68 G HN 0.561 nan 8.290 nan 0.000 0.517 69 L N -0.513 120.740 121.223 0.051 0.000 2.749 69 L HA 0.431 4.771 4.340 -0.000 0.000 0.242 69 L C 0.357 177.236 176.870 0.015 0.000 1.103 69 L CA 0.200 55.063 54.840 0.039 0.000 0.906 69 L CB 0.377 42.476 42.059 0.066 0.000 1.228 69 L HN 0.039 nan 8.230 nan 0.000 0.517 70 E N -0.425 119.782 120.200 0.010 0.000 2.266 70 E HA 0.286 4.636 4.350 -0.000 0.000 0.268 70 E C 0.178 176.747 176.600 -0.052 0.000 0.879 70 E CA -0.156 56.230 56.400 -0.023 0.000 0.762 70 E CB 2.239 31.928 29.700 -0.019 0.000 1.199 70 E HN -0.135 nan 8.360 nan 0.000 0.422 71 T N 1.038 115.547 114.554 -0.075 0.000 2.770 71 T HA -0.072 4.278 4.350 -0.000 0.000 0.263 71 T C 0.898 175.472 174.700 -0.209 0.000 1.039 71 T CA 1.136 63.172 62.100 -0.106 0.000 1.142 71 T CB -0.044 68.773 68.868 -0.085 0.000 0.868 71 T HN 0.379 nan 8.240 nan 0.000 0.435 72 N N 1.458 120.015 118.700 -0.238 0.000 2.321 72 N HA 0.252 4.992 4.740 -0.000 0.000 0.242 72 N C -0.848 174.420 175.510 -0.403 0.000 1.141 72 N CA -0.370 52.404 53.050 -0.459 0.000 0.864 72 N CB 0.460 38.779 38.487 -0.280 0.000 1.100 72 N HN 0.310 nan 8.380 nan 0.000 0.510 73 S N -1.785 113.768 115.700 -0.244 0.000 2.558 73 S HA 0.239 4.709 4.470 -0.000 0.000 0.277 73 S C -0.742 173.835 174.600 -0.040 0.000 1.143 73 S CA -0.915 57.204 58.200 -0.135 0.000 0.865 73 S CB 1.728 64.909 63.200 -0.032 0.000 1.102 73 S HN -0.101 nan 8.310 nan 0.000 0.454 74 D N 0.347 120.752 120.400 0.008 0.000 2.388 74 D HA 0.295 4.935 4.640 -0.000 0.000 0.208 74 D C 0.192 176.670 176.300 0.296 0.000 1.035 74 D CA 0.957 55.044 54.000 0.144 0.000 0.875 74 D CB 0.399 41.314 40.800 0.192 0.000 0.984 74 D HN 0.606 nan 8.370 nan 0.000 0.508 75 F N 0.227 120.263 119.950 0.143 0.000 2.693 75 F HA 0.576 5.103 4.527 -0.000 0.000 0.309 75 F C -1.813 174.177 175.800 0.316 0.000 1.129 75 F CA -1.789 56.293 58.000 0.136 0.000 0.948 75 F CB 0.879 39.854 39.000 -0.042 0.000 1.315 75 F HN -0.216 nan 8.300 nan 0.000 0.447 76 F N 0.238 120.331 119.950 0.238 0.000 2.631 76 F HA 0.848 5.375 4.527 -0.000 0.000 0.308 76 F C -2.288 173.668 175.800 0.261 0.000 1.097 76 F CA -1.831 56.316 58.000 0.245 0.000 0.952 76 F CB 1.427 40.559 39.000 0.220 0.000 1.307 76 F HN 0.504 nan 8.300 nan 0.000 0.450 77 F N 1.864 122.044 119.950 0.383 0.000 2.470 77 F HA 0.657 5.184 4.527 -0.000 0.000 0.329 77 F C 0.073 175.973 175.800 0.166 0.000 1.072 77 F CA -0.687 57.393 58.000 0.133 0.000 0.989 77 F CB 1.852 40.893 39.000 0.069 0.000 1.193 77 F HN 0.634 nan 8.300 nan 0.000 0.481 78 R N 3.841 124.448 120.500 0.179 0.000 2.451 78 R HA 0.491 4.831 4.340 -0.000 0.000 0.307 78 R C -1.827 174.308 176.300 -0.276 0.000 0.965 78 R CA -0.543 55.404 56.100 -0.255 0.000 0.865 78 R CB 0.706 30.765 30.300 -0.402 0.000 1.174 78 R HN 0.498 nan 8.270 nan 0.000 0.455 79 I N 3.556 123.909 120.570 -0.363 0.000 2.359 79 I HA 0.321 4.491 4.170 -0.000 0.000 0.294 79 I C -0.451 175.481 176.117 -0.309 0.000 0.987 79 I CA -0.908 60.202 61.300 -0.317 0.000 1.225 79 I CB 1.424 39.262 38.000 -0.271 0.000 1.366 79 I HN 0.626 nan 8.210 nan 0.000 0.466 80 N N 4.039 122.595 118.700 -0.240 0.000 2.321 80 N HA 0.817 5.557 4.740 -0.000 0.000 0.299 80 N C -0.871 174.541 175.510 -0.163 0.000 1.048 80 N CA -0.439 52.513 53.050 -0.163 0.000 0.836 80 N CB 2.488 40.892 38.487 -0.138 0.000 1.269 80 N HN 0.803 nan 8.380 nan 0.000 0.486 81 A N 0.806 123.561 122.820 -0.108 0.000 2.604 81 A HA 0.359 4.679 4.320 -0.000 0.000 0.295 81 A C -1.111 176.459 177.584 -0.024 0.000 1.067 81 A CA -0.588 51.398 52.037 -0.085 0.000 0.683 81 A CB 0.381 19.388 19.000 0.011 0.000 1.281 81 A HN 0.735 nan 8.150 nan 0.000 0.407 82 Y N 0.158 120.555 120.300 0.162 0.000 2.583 82 Y HA 0.179 4.729 4.550 -0.000 0.000 0.293 82 Y C 0.526 176.609 175.900 0.305 0.000 1.157 82 Y CA 1.244 59.462 58.100 0.197 0.000 1.315 82 Y CB 0.513 39.037 38.460 0.107 0.000 1.021 82 Y HN 0.623 nan 8.280 nan 0.000 0.536 83 D N -0.982 119.619 120.400 0.335 0.000 2.616 83 D HA 0.120 4.760 4.640 -0.000 0.000 0.238 83 D C 0.306 176.549 176.300 -0.095 0.000 1.354 83 D CA -0.359 53.721 54.000 0.133 0.000 0.970 83 D CB 1.100 41.969 40.800 0.114 0.000 1.369 83 D HN -0.022 nan 8.370 nan 0.000 0.585 84 L N 4.174 125.084 121.223 -0.522 0.000 2.079 84 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 84 L C 2.041 178.770 176.870 -0.235 0.000 1.081 84 L CA 2.437 56.938 54.840 -0.565 0.000 0.752 84 L CB -0.371 41.138 42.059 -0.917 0.000 0.896 84 L HN 0.551 nan 8.230 nan 0.000 0.433 85 A N -1.019 121.698 122.820 -0.172 0.000 2.024 85 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 85 A C 2.324 179.894 177.584 -0.023 0.000 1.164 85 A CA 1.931 53.921 52.037 -0.079 0.000 0.643 85 A CB -0.456 18.515 19.000 -0.049 0.000 0.806 85 A HN 0.543 nan 8.150 nan 0.000 0.451 86 K N -0.760 119.637 120.400 -0.004 0.000 2.098 86 K HA 0.161 4.481 4.320 -0.000 0.000 0.203 86 K C 2.368 178.999 176.600 0.052 0.000 1.051 86 K CA 0.729 57.051 56.287 0.058 0.000 0.957 86 K CB -0.239 32.315 32.500 0.091 0.000 0.738 86 K HN 0.385 nan 8.250 nan 0.000 0.447 87 A N 1.799 124.617 122.820 -0.002 0.000 1.917 87 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 87 A C 2.164 179.758 177.584 0.017 0.000 1.182 87 A CA 1.829 53.855 52.037 -0.018 0.000 0.633 87 A CB -0.646 18.322 19.000 -0.052 0.000 0.819 87 A HN 0.389 nan 8.150 nan 0.000 0.448 88 Q N -0.955 118.841 119.800 -0.007 0.000 2.020 88 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 88 Q C 2.093 178.104 176.000 0.018 0.000 0.982 88 Q CA 2.342 58.145 55.803 -0.001 0.000 0.838 88 Q CB -0.374 28.350 28.738 -0.023 0.000 0.899 88 Q HN 0.605 nan 8.270 nan 0.000 0.423 89 T N 0.776 115.349 114.554 0.033 0.000 2.720 89 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 89 T C 1.297 175.987 174.700 -0.016 0.000 1.037 89 T CA 1.437 63.561 62.100 0.041 0.000 1.144 89 T CB -0.485 68.447 68.868 0.108 0.000 0.864 89 T HN 0.374 nan 8.240 nan 0.000 0.444 90 F N 1.683 121.511 119.950 -0.204 0.000 2.051 90 F HA -0.112 4.415 4.527 -0.000 0.000 0.296 90 F C 2.212 177.861 175.800 -0.251 0.000 1.122 90 F CA 1.261 59.007 58.000 -0.424 0.000 1.201 90 F CB -0.319 38.409 39.000 -0.453 0.000 0.978 90 F HN -0.049 nan 8.300 nan 0.000 0.472 91 M N 0.286 119.886 119.600 -0.001 0.000 2.144 91 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 91 M C 2.316 178.594 176.300 -0.037 0.000 1.067 91 M CA 1.557 56.841 55.300 -0.028 0.000 1.095 91 M CB -1.464 31.180 32.600 0.073 0.000 1.365 91 M HN 0.191 nan 8.290 nan 0.000 0.406 92 R N 0.126 120.596 120.500 -0.050 0.000 2.073 92 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 92 R C 2.062 178.311 176.300 -0.085 0.000 1.134 92 R CA 1.605 57.687 56.100 -0.030 0.000 0.952 92 R CB -0.033 30.255 30.300 -0.021 0.000 0.850 92 R HN 0.482 nan 8.270 nan 0.000 0.433 93 E N -0.756 119.335 120.200 -0.181 0.000 2.152 93 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 93 E C 1.622 178.044 176.600 -0.296 0.000 0.983 93 E CA 0.896 57.163 56.400 -0.222 0.000 0.818 93 E CB -0.121 29.444 29.700 -0.225 0.000 0.758 93 E HN 0.302 nan 8.360 nan 0.000 0.467 94 F N 1.971 121.584 119.950 -0.562 0.000 2.171 94 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 94 F C 1.970 177.627 175.800 -0.239 0.000 1.090 94 F CA 1.345 59.058 58.000 -0.478 0.000 1.293 94 F CB 0.129 38.754 39.000 -0.625 0.000 1.013 94 F HN -0.215 nan 8.300 nan 0.000 0.486 95 R N -0.492 119.922 120.500 -0.142 0.000 2.280 95 R HA -0.022 4.318 4.340 -0.000 0.000 0.207 95 R C 1.807 178.001 176.300 -0.176 0.000 1.043 95 R CA 0.980 57.018 56.100 -0.104 0.000 1.006 95 R CB -0.397 29.983 30.300 0.134 0.000 0.885 95 R HN 0.188 nan 8.270 nan 0.000 0.467 96 S N -0.175 115.407 115.700 -0.198 0.000 2.593 96 S HA 0.025 4.495 4.470 -0.000 0.000 0.217 96 S C 0.564 175.050 174.600 -0.189 0.000 0.966 96 S CA 0.223 58.333 58.200 -0.150 0.000 0.914 96 S CB 0.454 63.588 63.200 -0.109 0.000 0.776 96 S HN 0.157 nan 8.310 nan 0.000 0.523 97 T N 1.177 115.533 114.554 -0.330 0.000 2.918 97 T HA 0.186 4.536 4.350 -0.000 0.000 0.283 97 T C 1.504 176.055 174.700 -0.249 0.000 1.001 97 T CA -0.214 61.685 62.100 -0.335 0.000 1.041 97 T CB 1.182 69.698 68.868 -0.588 0.000 1.028 97 T HN 0.103 nan 8.240 nan 0.000 0.511 98 T N 2.510 116.990 114.554 -0.123 0.000 2.597 98 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 98 T C 2.124 176.859 174.700 0.060 0.000 1.053 98 T CA 2.068 64.176 62.100 0.013 0.000 1.165 98 T CB -0.467 68.452 68.868 0.086 0.000 0.863 98 T HN 0.558 nan 8.240 nan 0.000 0.427 99 V N 1.569 121.442 119.914 -0.068 0.000 2.287 99 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 99 V C 2.878 178.794 176.094 -0.297 0.000 1.053 99 V CA 1.966 64.085 62.300 -0.301 0.000 1.027 99 V CB -1.794 29.790 31.823 -0.398 0.000 0.646 99 V HN 0.583 nan 8.190 nan 0.000 0.447 100 G N 0.102 108.558 108.800 -0.573 0.000 2.476 100 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 100 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 100 G C 1.658 176.471 174.900 -0.145 0.000 1.164 100 G CA 1.183 45.949 45.100 -0.556 0.000 0.768 100 G HN 0.534 nan 8.290 nan 0.000 0.560 101 K N 0.304 120.642 120.400 -0.102 0.000 2.147 101 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 101 K C 1.229 177.877 176.600 0.080 0.000 1.049 101 K CA 1.273 57.563 56.287 0.005 0.000 0.936 101 K CB -0.072 32.433 32.500 0.007 0.000 0.722 101 K HN 0.286 nan 8.250 nan 0.000 0.446 102 N N -0.128 118.642 118.700 0.117 0.000 2.279 102 N HA 0.135 4.875 4.740 -0.000 0.000 0.226 102 N C -0.960 174.636 175.510 0.143 0.000 1.126 102 N CA -0.131 53.033 53.050 0.189 0.000 0.846 102 N CB 1.308 40.036 38.487 0.401 0.000 1.050 102 N HN 0.081 nan 8.380 nan 0.000 0.502 103 A N -0.144 122.768 122.820 0.153 0.000 2.401 103 A HA 0.612 4.932 4.320 -0.000 0.000 0.310 103 A C -1.251 176.529 177.584 0.328 0.000 1.075 103 A CA -0.790 51.400 52.037 0.254 0.000 0.746 103 A CB 1.368 20.577 19.000 0.349 0.000 1.277 103 A HN -0.005 nan 8.150 nan 0.000 0.425 104 D N 0.748 121.340 120.400 0.319 0.000 2.163 104 D HA 0.448 5.087 4.640 -0.000 0.000 0.248 104 D C -0.088 176.324 176.300 0.186 0.000 1.035 104 D CA -0.138 54.003 54.000 0.234 0.000 0.872 104 D CB 1.794 42.700 40.800 0.177 0.000 1.183 104 D HN 0.196 nan 8.370 nan 0.000 0.445 105 V N 2.337 122.206 119.914 -0.075 0.000 2.572 105 V HA 0.032 4.151 4.120 -0.000 0.000 0.291 105 V C 0.636 176.588 176.094 -0.236 0.000 1.039 105 V CA 0.312 62.405 62.300 -0.345 0.000 1.055 105 V CB 0.438 32.026 31.823 -0.392 0.000 0.969 105 V HN 0.532 nan 8.190 nan 0.000 0.482 106 F N 1.003 120.807 119.950 -0.243 0.000 2.746 106 F HA 0.400 4.927 4.527 -0.000 0.000 0.313 106 F C 1.035 176.758 175.800 -0.128 0.000 1.095 106 F CA 0.175 58.090 58.000 -0.142 0.000 1.224 106 F CB 0.833 39.769 39.000 -0.106 0.000 1.060 106 F HN 0.430 nan 8.300 nan 0.000 0.584 107 E N -0.522 119.669 120.200 -0.016 0.000 2.380 107 E HA 0.349 4.699 4.350 -0.000 0.000 0.281 107 E C -1.312 175.248 176.600 -0.066 0.000 0.999 107 E CA -0.177 56.202 56.400 -0.035 0.000 0.800 107 E CB 2.393 32.081 29.700 -0.020 0.000 1.228 107 E HN -0.201 nan 8.360 nan 0.000 0.436 108 T N 2.050 116.578 114.554 -0.043 0.000 2.952 108 T HA 0.597 4.947 4.350 -0.000 0.000 0.305 108 T C -0.672 174.039 174.700 0.018 0.000 1.064 108 T CA -0.531 61.561 62.100 -0.014 0.000 1.008 108 T CB 0.928 69.771 68.868 -0.041 0.000 1.078 108 T HN 0.216 nan 8.240 nan 0.000 0.459 109 L N 2.630 123.900 121.223 0.078 0.000 2.406 109 L HA 0.668 5.008 4.340 -0.000 0.000 0.272 109 L C -0.703 176.245 176.870 0.131 0.000 0.980 109 L CA -1.030 53.858 54.840 0.080 0.000 0.831 109 L CB 2.013 44.091 42.059 0.032 0.000 1.253 109 L HN 0.362 nan 8.230 nan 0.000 0.406 110 V N 2.262 122.230 119.914 0.090 0.000 2.427 110 V HA 0.892 5.012 4.120 -0.000 0.000 0.286 110 V C 0.458 176.641 176.094 0.149 0.000 1.034 110 V CA -0.167 62.199 62.300 0.109 0.000 0.893 110 V CB 1.484 33.353 31.823 0.077 0.000 0.982 110 V HN 0.900 nan 8.190 nan 0.000 0.452 111 G N 2.634 111.558 108.800 0.206 0.000 2.687 111 G HA2 0.674 4.634 3.960 -0.000 0.000 0.291 111 G HA3 0.674 4.634 3.960 -0.000 0.000 0.291 111 G C -1.980 173.132 174.900 0.354 0.000 1.420 111 G CA -0.543 44.721 45.100 0.273 0.000 0.796 111 G HN 0.689 nan 8.290 nan 0.000 0.485 112 V N -0.755 119.353 119.914 0.323 0.000 2.932 112 V HA 0.691 4.811 4.120 -0.000 0.000 0.307 112 V C -0.222 175.972 176.094 0.166 0.000 1.147 112 V CA -0.480 61.890 62.300 0.117 0.000 0.951 112 V CB 2.300 34.000 31.823 -0.205 0.000 1.031 112 V HN 0.904 nan 8.190 nan 0.000 0.426 113 T N 6.644 121.215 114.554 0.030 0.000 2.851 113 T HA 0.442 4.792 4.350 -0.000 0.000 0.298 113 T C -0.330 174.335 174.700 -0.057 0.000 0.977 113 T CA 0.001 62.099 62.100 -0.004 0.000 1.126 113 T CB 0.262 69.069 68.868 -0.102 0.000 0.916 113 T HN 0.686 nan 8.240 nan 0.000 0.529 114 K N 3.161 123.528 120.400 -0.054 0.000 2.378 114 K HA 0.572 4.892 4.320 -0.000 0.000 0.244 114 K C -2.520 174.036 176.600 -0.074 0.000 1.039 114 K CA -2.038 54.158 56.287 -0.152 0.000 0.863 114 K CB 0.702 32.968 32.500 -0.389 0.000 1.326 114 K HN 0.282 nan 8.250 nan 0.000 0.460 115 P HA 0.047 nan 4.420 nan 0.000 0.272 115 P C -0.554 176.740 177.300 -0.009 0.000 1.254 115 P CA -0.288 62.792 63.100 -0.032 0.000 0.795 115 P CB 0.359 32.036 31.700 -0.038 0.000 1.022 116 L N 2.055 123.288 121.223 0.016 0.000 2.462 116 L HA 0.004 4.344 4.340 -0.000 0.000 0.272 116 L C 1.518 178.381 176.870 -0.011 0.000 1.166 116 L CA 0.178 55.042 54.840 0.040 0.000 0.880 116 L CB 0.008 42.099 42.059 0.052 0.000 1.142 116 L HN 0.338 nan 8.230 nan 0.000 0.473 117 N N 1.816 120.497 118.700 -0.033 0.000 2.368 117 N HA -0.055 4.685 4.740 -0.000 0.000 0.176 117 N C 0.676 175.947 175.510 -0.397 0.000 1.021 117 N CA 1.165 54.051 53.050 -0.272 0.000 0.888 117 N CB 0.271 38.527 38.487 -0.385 0.000 0.995 117 N HN 0.557 nan 8.380 nan 0.000 0.437 118 Y N -0.673 119.665 120.300 0.065 0.000 2.846 118 Y HA 0.336 4.886 4.550 -0.000 0.000 0.258 118 Y C 0.545 176.469 175.900 0.040 0.000 1.077 118 Y CA -0.426 57.703 58.100 0.047 0.000 1.270 118 Y CB 0.422 38.910 38.460 0.047 0.000 1.476 118 Y HN -0.178 nan 8.280 nan 0.000 0.460 119 I N 2.351 123.052 120.570 0.219 0.000 3.078 119 I HA 0.124 4.294 4.170 -0.000 0.000 0.296 119 I C 0.657 176.833 176.117 0.098 0.000 1.195 119 I CA -0.514 60.870 61.300 0.140 0.000 1.542 119 I CB -2.131 35.947 38.000 0.130 0.000 1.414 119 I HN 0.098 nan 8.210 nan 0.000 0.598 120 S N 0.600 116.348 115.700 0.080 0.000 2.707 120 S HA 0.368 4.838 4.470 -0.000 0.000 0.276 120 S C 1.278 175.905 174.600 0.045 0.000 1.179 120 S CA -0.604 57.627 58.200 0.052 0.000 0.992 120 S CB 1.972 65.191 63.200 0.031 0.000 1.030 120 S HN 0.349 nan 8.310 nan 0.000 0.554 121 K N 0.287 120.708 120.400 0.034 0.000 2.032 121 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 121 K C 1.305 177.921 176.600 0.027 0.000 1.048 121 K CA 2.019 58.324 56.287 0.030 0.000 0.927 121 K CB -0.420 32.094 32.500 0.024 0.000 0.712 121 K HN 0.636 nan 8.250 nan 0.000 0.441 122 D N 0.130 120.544 120.400 0.022 0.000 2.117 122 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 122 D C 1.638 177.952 176.300 0.024 0.000 0.982 122 D CA 1.300 55.312 54.000 0.019 0.000 0.828 122 D CB 0.160 40.967 40.800 0.011 0.000 0.967 122 D HN 0.244 nan 8.370 nan 0.000 0.464 123 K N -0.664 119.756 120.400 0.032 0.000 2.276 123 K HA 0.122 4.442 4.320 -0.000 0.000 0.198 123 K C 0.531 177.162 176.600 0.052 0.000 1.052 123 K CA 0.188 56.500 56.287 0.042 0.000 0.984 123 K CB 0.700 33.230 32.500 0.051 0.000 0.836 123 K HN -0.187 nan 8.250 nan 0.000 0.490 124 S N 0.942 116.675 115.700 0.056 0.000 2.293 124 S HA 0.220 4.690 4.470 -0.000 0.000 0.154 124 S C -2.316 172.313 174.600 0.049 0.000 1.602 124 S CA -1.505 56.729 58.200 0.057 0.000 1.260 124 S CB 0.683 63.928 63.200 0.075 0.000 1.270 124 S HN -0.070 nan 8.310 nan 0.000 0.416 125 P HA -0.026 nan 4.420 nan 0.000 0.215 125 P C 1.707 179.028 177.300 0.035 0.000 1.157 125 P CA 1.439 64.560 63.100 0.034 0.000 0.863 125 P CB -0.234 31.482 31.700 0.027 0.000 0.787 126 G N 0.566 109.386 108.800 0.033 0.000 2.459 126 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 126 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 126 G C 1.616 176.539 174.900 0.038 0.000 1.183 126 G CA 0.956 46.075 45.100 0.032 0.000 0.776 126 G HN 0.232 nan 8.290 nan 0.000 0.552 127 L N 0.702 121.953 121.223 0.046 0.000 2.240 127 L HA 0.039 4.379 4.340 -0.000 0.000 0.211 127 L C 2.563 179.469 176.870 0.060 0.000 1.106 127 L CA 0.777 55.650 54.840 0.054 0.000 0.793 127 L CB -0.374 41.723 42.059 0.063 0.000 0.927 127 L HN 0.289 nan 8.230 nan 0.000 0.446 128 N N 0.823 119.558 118.700 0.058 0.000 2.058 128 N HA -0.233 4.506 4.740 -0.000 0.000 0.191 128 N C 1.934 177.474 175.510 0.051 0.000 1.037 128 N CA 1.582 54.667 53.050 0.058 0.000 0.848 128 N CB 0.102 38.621 38.487 0.053 0.000 1.021 128 N HN 0.309 nan 8.380 nan 0.000 0.422 129 A N 0.814 123.659 122.820 0.043 0.000 1.859 129 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 129 A C 2.419 180.028 177.584 0.041 0.000 1.209 129 A CA 2.467 54.526 52.037 0.038 0.000 0.639 129 A CB -1.782 17.237 19.000 0.031 0.000 0.835 129 A HN 0.528 nan 8.150 nan 0.000 0.450 130 G N -0.174 108.651 108.800 0.041 0.000 2.574 130 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.220 130 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.220 130 G C 1.497 176.429 174.900 0.054 0.000 1.173 130 G CA 1.688 46.814 45.100 0.043 0.000 0.772 130 G HN 0.673 nan 8.290 nan 0.000 0.585 131 L N 1.691 122.952 121.223 0.064 0.000 1.941 131 L HA -0.165 4.175 4.340 -0.000 0.000 0.224 131 L C 3.093 180.006 176.870 0.071 0.000 1.081 131 L CA 3.410 58.295 54.840 0.076 0.000 0.784 131 L CB -0.996 41.113 42.059 0.083 0.000 0.894 131 L HN 0.357 nan 8.230 nan 0.000 0.436 132 S N -1.544 114.193 115.700 0.062 0.000 2.507 132 S HA -0.044 4.426 4.470 -0.000 0.000 0.235 132 S C 1.234 175.866 174.600 0.052 0.000 0.988 132 S CA 0.497 58.732 58.200 0.057 0.000 0.944 132 S CB -1.015 62.215 63.200 0.050 0.000 0.762 132 S HN 0.653 nan 8.310 nan 0.000 0.526 133 S N 0.604 116.333 115.700 0.049 0.000 2.438 133 S HA 0.774 5.244 4.470 -0.000 0.000 0.227 133 S C -0.138 174.489 174.600 0.045 0.000 1.265 133 S CA -0.347 57.879 58.200 0.043 0.000 1.265 133 S CB 0.108 63.329 63.200 0.035 0.000 0.987 133 S HN 0.676 nan 8.310 nan 0.000 0.502 134 A N 0.818 123.672 122.820 0.057 0.000 2.475 134 A HA 0.879 5.199 4.320 -0.000 0.000 0.301 134 A C -0.396 177.235 177.584 0.079 0.000 1.059 134 A CA -0.727 51.346 52.037 0.059 0.000 0.710 134 A CB 1.980 21.019 19.000 0.064 0.000 1.288 134 A HN 0.425 nan 8.150 nan 0.000 0.408 135 T N 0.071 114.672 114.554 0.079 0.000 2.933 135 T HA 0.513 4.863 4.350 -0.000 0.000 0.305 135 T C -1.427 173.352 174.700 0.131 0.000 1.092 135 T CA -0.253 61.910 62.100 0.106 0.000 1.008 135 T CB 0.717 69.631 68.868 0.078 0.000 1.102 135 T HN 0.686 nan 8.240 nan 0.000 0.469 136 Y N 3.261 123.592 120.300 0.052 0.000 2.425 136 Y HA 0.508 5.057 4.550 -0.000 0.000 0.331 136 Y C 0.149 176.073 175.900 0.041 0.000 1.157 136 Y CA 0.608 58.740 58.100 0.055 0.000 1.372 136 Y CB 0.599 39.098 38.460 0.066 0.000 1.253 136 Y HN 0.601 nan 8.280 nan 0.000 0.536 137 S N 3.681 119.166 115.700 -0.359 0.000 2.536 137 S HA 0.773 5.243 4.470 -0.000 0.000 0.298 137 S C -0.099 174.323 174.600 -0.297 0.000 1.083 137 S CA -0.212 57.863 58.200 -0.208 0.000 0.995 137 S CB 1.421 64.527 63.200 -0.157 0.000 1.058 137 S HN 1.357 nan 8.310 nan 0.000 0.488 138 G N 3.008 111.766 108.800 -0.070 0.000 2.681 138 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.220 138 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.220 138 G C -3.196 171.771 174.900 0.111 0.000 1.353 138 G CA -1.035 44.050 45.100 -0.025 0.000 0.872 138 G HN 0.618 nan 8.290 nan 0.000 0.557 139 P HA 0.531 nan 4.420 nan 0.000 0.272 139 P C 0.249 177.677 177.300 0.215 0.000 1.240 139 P CA 0.385 63.565 63.100 0.133 0.000 0.791 139 P CB 0.365 32.113 31.700 0.081 0.000 0.978 140 A N 2.763 125.652 122.820 0.115 0.000 2.548 140 A HA 0.271 4.591 4.320 -0.000 0.000 0.247 140 A C -1.822 175.781 177.584 0.033 0.000 1.067 140 A CA -0.826 51.244 52.037 0.055 0.000 0.757 140 A CB -1.370 17.630 19.000 0.001 0.000 0.996 140 A HN 0.420 nan 8.150 nan 0.000 0.504 141 P HA 0.089 nan 4.420 nan 0.000 0.264 141 P C 0.194 177.436 177.300 -0.096 0.000 1.193 141 P CA 0.123 63.234 63.100 0.019 0.000 0.763 141 P CB 0.660 32.352 31.700 -0.013 0.000 0.810 142 R N 1.656 122.036 120.500 -0.199 0.000 2.210 142 R HA 0.075 4.415 4.340 -0.000 0.000 0.203 142 R C 0.140 176.114 176.300 -0.543 0.000 1.010 142 R CA 0.794 56.608 56.100 -0.477 0.000 1.008 142 R CB 0.020 29.872 30.300 -0.747 0.000 0.923 142 R HN 0.531 nan 8.270 nan 0.000 0.469 143 Y N -0.878 119.385 120.300 -0.062 0.000 2.393 143 Y HA 0.408 4.958 4.550 -0.000 0.000 0.341 143 Y C -0.201 175.623 175.900 -0.127 0.000 0.988 143 Y CA -1.119 56.931 58.100 -0.084 0.000 1.078 143 Y CB 1.766 40.162 38.460 -0.107 0.000 1.203 143 Y HN -0.341 nan 8.280 nan 0.000 0.453 144 V N 5.283 125.212 119.914 0.025 0.000 2.581 144 V HA 0.665 4.785 4.120 -0.000 0.000 0.303 144 V C -1.048 174.950 176.094 -0.160 0.000 1.041 144 V CA -0.726 61.487 62.300 -0.144 0.000 0.907 144 V CB 1.176 32.850 31.823 -0.248 0.000 0.994 144 V HN 0.619 nan 8.190 nan 0.000 0.442 145 I N 6.175 126.582 120.570 -0.271 0.000 2.582 145 I HA 0.577 4.747 4.170 -0.000 0.000 0.292 145 I C -0.700 175.324 176.117 -0.155 0.000 1.066 145 I CA -0.771 60.395 61.300 -0.223 0.000 1.053 145 I CB 1.624 39.423 38.000 -0.334 0.000 1.241 145 I HN 0.306 nan 8.210 nan 0.000 0.421 146 V N 6.572 126.374 119.914 -0.187 0.000 2.525 146 V HA 0.531 4.651 4.120 -0.000 0.000 0.299 146 V C -0.350 175.608 176.094 -0.225 0.000 1.034 146 V CA -0.341 61.813 62.300 -0.244 0.000 0.863 146 V CB 2.623 34.191 31.823 -0.424 0.000 0.999 146 V HN 0.530 nan 8.190 nan 0.000 0.423 147 I N 7.398 127.879 120.570 -0.148 0.000 2.468 147 I HA 0.403 4.572 4.170 -0.000 0.000 0.284 147 I C -2.578 173.474 176.117 -0.108 0.000 1.038 147 I CA -1.871 59.355 61.300 -0.124 0.000 1.083 147 I CB 2.959 40.912 38.000 -0.078 0.000 1.223 147 I HN 0.415 nan 8.210 nan 0.000 0.443 148 P HA 0.244 nan 4.420 nan 0.000 0.280 148 P C -0.844 176.481 177.300 0.041 0.000 1.244 148 P CA -0.253 62.824 63.100 -0.040 0.000 0.784 148 P CB 1.554 33.221 31.700 -0.055 0.000 0.913 149 V N 3.543 123.542 119.914 0.142 0.000 2.588 149 V HA 0.488 4.608 4.120 -0.000 0.000 0.304 149 V C 0.055 176.325 176.094 0.294 0.000 1.042 149 V CA -0.567 61.864 62.300 0.219 0.000 0.877 149 V CB 1.863 33.837 31.823 0.251 0.000 0.996 149 V HN 0.515 nan 8.190 nan 0.000 0.425 150 K N 3.933 124.476 120.400 0.238 0.000 2.397 150 K HA 0.638 4.957 4.320 -0.000 0.000 0.253 150 K C -0.910 175.864 176.600 0.289 0.000 0.932 150 K CA -0.688 55.741 56.287 0.238 0.000 0.795 150 K CB 1.829 34.422 32.500 0.155 0.000 1.159 150 K HN 0.639 nan 8.250 nan 0.000 0.424 151 K N 2.378 122.979 120.400 0.334 0.000 2.123 151 K HA 0.232 4.552 4.320 -0.000 0.000 0.259 151 K C -0.201 176.591 176.600 0.321 0.000 0.960 151 K CA -1.137 55.264 56.287 0.189 0.000 0.872 151 K CB 0.982 33.297 32.500 -0.308 0.000 1.079 151 K HN 0.774 nan 8.250 nan 0.000 0.440 152 N N 0.616 119.486 118.700 0.283 0.000 2.317 152 N HA -0.001 4.739 4.740 -0.000 0.000 0.245 152 N C 0.687 176.461 175.510 0.439 0.000 1.294 152 N CA 0.047 53.293 53.050 0.327 0.000 0.924 152 N CB 0.163 38.803 38.487 0.255 0.000 1.186 152 N HN 0.569 nan 8.380 nan 0.000 0.495 153 A N -0.695 122.346 122.820 0.369 0.000 2.076 153 A HA -0.162 4.157 4.320 -0.000 0.000 0.220 153 A C 1.845 179.601 177.584 0.285 0.000 1.160 153 A CA 1.093 53.341 52.037 0.351 0.000 0.653 153 A CB -0.606 18.527 19.000 0.221 0.000 0.801 153 A HN 0.728 nan 8.150 nan 0.000 0.455 154 E N -0.994 119.366 120.200 0.266 0.000 2.107 154 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 154 E C 1.800 178.448 176.600 0.079 0.000 0.982 154 E CA 0.692 57.222 56.400 0.215 0.000 0.809 154 E CB -0.329 29.561 29.700 0.317 0.000 0.756 154 E HN 0.925 nan 8.360 nan 0.000 0.459 155 W N 0.537 121.716 121.300 -0.202 0.000 2.354 155 W HA -0.223 4.437 4.660 -0.000 0.000 0.315 155 W C 1.439 177.716 176.519 -0.403 0.000 1.206 155 W CA 1.133 58.086 57.345 -0.654 0.000 1.290 155 W CB -0.864 28.136 29.460 -0.767 0.000 1.152 155 W HN 0.090 nan 8.180 nan 0.000 0.489 156 W N 0.856 122.203 121.300 0.079 0.000 2.392 156 W HA -0.170 4.490 4.660 -0.000 0.000 0.279 156 W C 1.931 178.392 176.519 -0.097 0.000 1.225 156 W CA 1.238 58.589 57.345 0.010 0.000 1.233 156 W CB -0.894 28.661 29.460 0.159 0.000 1.122 156 W HN -0.053 nan 8.180 nan 0.000 0.561 157 N N -0.505 118.255 118.700 0.101 0.000 2.461 157 N HA 0.052 4.792 4.740 -0.000 0.000 0.188 157 N C 0.423 175.884 175.510 -0.082 0.000 1.134 157 N CA 0.326 53.394 53.050 0.031 0.000 0.878 157 N CB -0.084 38.438 38.487 0.059 0.000 0.972 157 N HN -0.040 nan 8.380 nan 0.000 0.456 158 M N 0.521 119.980 119.600 -0.235 0.000 2.240 158 M HA 0.106 4.586 4.480 -0.000 0.000 0.333 158 M C 0.678 176.829 176.300 -0.249 0.000 1.110 158 M CA -0.346 54.775 55.300 -0.299 0.000 1.173 158 M CB 0.780 33.056 32.600 -0.540 0.000 1.458 158 M HN 0.076 nan 8.290 nan 0.000 0.458 159 S N 1.616 117.209 115.700 -0.180 0.000 2.579 159 S HA 0.150 4.619 4.470 -0.000 0.000 0.275 159 S C -2.047 172.474 174.600 -0.131 0.000 1.345 159 S CA -1.125 57.004 58.200 -0.118 0.000 1.031 159 S CB 0.187 63.338 63.200 -0.082 0.000 0.892 159 S HN 0.460 nan 8.310 nan 0.000 0.529 160 P HA -0.111 nan 4.420 nan 0.000 0.218 160 P C 0.913 178.218 177.300 0.009 0.000 1.146 160 P CA 1.279 64.382 63.100 0.005 0.000 0.813 160 P CB 0.008 31.718 31.700 0.016 0.000 0.778 161 E N -0.435 119.747 120.200 -0.031 0.000 2.107 161 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 161 E C 1.922 178.479 176.600 -0.073 0.000 0.982 161 E CA 1.017 57.400 56.400 -0.029 0.000 0.809 161 E CB -0.593 29.090 29.700 -0.028 0.000 0.756 161 E HN 0.427 nan 8.360 nan 0.000 0.459 162 E N 0.308 120.428 120.200 -0.133 0.000 2.107 162 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 162 E C 2.088 178.512 176.600 -0.293 0.000 0.982 162 E CA 0.563 56.851 56.400 -0.187 0.000 0.809 162 E CB -0.040 29.530 29.700 -0.216 0.000 0.756 162 E HN 0.141 nan 8.360 nan 0.000 0.459 163 R N 0.490 120.744 120.500 -0.410 0.000 2.092 163 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 163 R C 2.445 178.454 176.300 -0.485 0.000 1.119 163 R CA 0.580 56.281 56.100 -0.666 0.000 0.970 163 R CB -0.349 29.474 30.300 -0.794 0.000 0.864 163 R HN 0.103 nan 8.270 nan 0.000 0.440 164 L N 2.071 123.181 121.223 -0.187 0.000 1.989 164 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 164 L C 2.239 179.048 176.870 -0.103 0.000 1.071 164 L CA 1.939 56.745 54.840 -0.058 0.000 0.749 164 L CB -0.651 41.485 42.059 0.129 0.000 0.890 164 L HN 0.018 nan 8.230 nan 0.000 0.431 165 K N -1.039 119.312 120.400 -0.081 0.000 2.173 165 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 165 K C 1.793 178.364 176.600 -0.048 0.000 1.046 165 K CA 1.810 58.066 56.287 -0.052 0.000 0.929 165 K CB -0.048 32.423 32.500 -0.047 0.000 0.720 165 K HN 0.400 nan 8.250 nan 0.000 0.453 166 E N -0.147 120.004 120.200 -0.081 0.000 2.170 166 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 166 E C 1.821 178.426 176.600 0.009 0.000 0.981 166 E CA 0.718 57.122 56.400 0.008 0.000 0.830 166 E CB 0.037 29.809 29.700 0.120 0.000 0.775 166 E HN 0.369 nan 8.360 nan 0.000 0.470 167 M N 0.208 119.740 119.600 -0.113 0.000 2.506 167 M HA 0.044 4.524 4.480 -0.000 0.000 0.260 167 M C 1.590 177.890 176.300 -0.001 0.000 1.104 167 M CA 0.740 55.955 55.300 -0.142 0.000 1.112 167 M CB -0.427 31.915 32.600 -0.430 0.000 1.401 167 M HN 0.080 nan 8.290 nan 0.000 0.473 168 E N -0.208 119.994 120.200 0.004 0.000 2.152 168 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 168 E C 2.100 178.735 176.600 0.058 0.000 0.983 168 E CA 0.776 57.202 56.400 0.044 0.000 0.818 168 E CB 0.217 29.935 29.700 0.030 0.000 0.758 168 E HN 0.209 nan 8.360 nan 0.000 0.467 169 V N 0.610 120.554 119.914 0.051 0.000 2.453 169 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 169 V C 2.201 178.342 176.094 0.078 0.000 1.048 169 V CA 2.091 64.421 62.300 0.050 0.000 1.049 169 V CB -0.537 31.307 31.823 0.035 0.000 0.672 169 V HN 0.355 nan 8.190 nan 0.000 0.457 170 H N 0.357 119.418 119.070 -0.014 0.000 2.353 170 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 170 H C 2.271 177.604 175.328 0.008 0.000 1.103 170 H CA 2.255 58.296 56.048 -0.013 0.000 1.293 170 H CB 0.023 29.765 29.762 -0.033 0.000 1.372 170 H HN 0.368 nan 8.280 nan 0.000 0.501 171 T N -0.858 113.819 114.554 0.204 0.000 2.942 171 T HA -0.084 4.266 4.350 -0.000 0.000 0.265 171 T C 1.832 176.579 174.700 0.078 0.000 1.062 171 T CA 1.454 63.654 62.100 0.166 0.000 1.139 171 T CB -0.183 68.779 68.868 0.157 0.000 0.883 171 T HN 0.481 nan 8.240 nan 0.000 0.468 172 T N 2.378 116.964 114.554 0.054 0.000 2.770 172 T HA -0.026 4.324 4.350 -0.000 0.000 0.263 172 T C -0.546 174.173 174.700 0.032 0.000 1.039 172 T CA 0.839 62.963 62.100 0.039 0.000 1.142 172 T CB -1.064 67.822 68.868 0.030 0.000 0.868 172 T HN 0.393 nan 8.240 nan 0.000 0.435 173 P HA 0.123 nan 4.420 nan 0.000 0.249 173 P C 1.156 178.516 177.300 0.100 0.000 1.229 173 P CA 0.733 63.859 63.100 0.043 0.000 0.788 173 P CB -0.309 31.403 31.700 0.021 0.000 1.072 174 T N -3.292 111.295 114.554 0.056 0.000 3.031 174 T HA 0.083 4.433 4.350 -0.000 0.000 0.254 174 T C 1.935 176.731 174.700 0.160 0.000 1.060 174 T CA 0.104 62.259 62.100 0.091 0.000 1.135 174 T CB -1.039 67.799 68.868 -0.051 0.000 0.896 174 T HN -0.046 nan 8.240 nan 0.000 0.472 175 L N 1.535 122.819 121.223 0.101 0.000 2.021 175 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 175 L C 3.341 180.246 176.870 0.059 0.000 1.074 175 L CA 1.641 56.532 54.840 0.085 0.000 0.760 175 L CB -1.079 41.015 42.059 0.059 0.000 0.889 175 L HN 0.408 nan 8.230 nan 0.000 0.433 176 A N -0.289 122.537 122.820 0.011 0.000 1.954 176 A HA -0.297 4.023 4.320 -0.000 0.000 0.222 176 A C 1.901 179.350 177.584 -0.224 0.000 1.199 176 A CA 2.231 54.191 52.037 -0.128 0.000 0.657 176 A CB -1.203 17.669 19.000 -0.213 0.000 0.823 176 A HN 0.528 nan 8.150 nan 0.000 0.463 177 Y N -0.413 119.877 120.300 -0.016 0.000 2.578 177 Y HA 0.171 4.721 4.550 -0.000 0.000 0.297 177 Y C 1.747 177.670 175.900 0.038 0.000 1.176 177 Y CA 0.311 58.408 58.100 -0.006 0.000 1.315 177 Y CB -0.293 38.148 38.460 -0.031 0.000 1.031 177 Y HN 0.216 nan 8.280 nan 0.000 0.524 178 L N -0.516 120.788 121.223 0.136 0.000 2.376 178 L HA -0.123 4.217 4.340 -0.000 0.000 0.219 178 L C 2.067 179.001 176.870 0.106 0.000 1.133 178 L CA 0.527 55.459 54.840 0.154 0.000 0.816 178 L CB -0.360 41.780 42.059 0.136 0.000 0.933 178 L HN 0.250 nan 8.230 nan 0.000 0.449 179 V N -4.551 115.360 119.914 -0.005 0.000 3.217 179 V HA 0.023 4.143 4.120 -0.000 0.000 0.264 179 V C 1.663 177.560 176.094 -0.329 0.000 1.135 179 V CA 1.244 63.465 62.300 -0.131 0.000 1.142 179 V CB -0.404 31.336 31.823 -0.138 0.000 0.754 179 V HN 0.367 nan 8.190 nan 0.000 0.484 180 N N -0.222 118.396 118.700 -0.137 0.000 2.516 180 N HA 0.259 4.998 4.740 -0.000 0.000 0.197 180 N C 0.156 175.769 175.510 0.172 0.000 1.064 180 N CA 0.640 53.633 53.050 -0.096 0.000 0.866 180 N CB 1.246 39.783 38.487 0.084 0.000 1.255 180 N HN 0.407 nan 8.380 nan 0.000 0.447 181 V N 1.043 121.161 119.914 0.341 0.000 2.735 181 V HA 0.428 4.548 4.120 -0.000 0.000 0.310 181 V C -0.535 175.829 176.094 0.450 0.000 1.061 181 V CA -0.840 61.717 62.300 0.428 0.000 0.913 181 V CB 2.517 34.559 31.823 0.365 0.000 1.005 181 V HN -0.071 nan 8.190 nan 0.000 0.428 182 K N 3.395 124.011 120.400 0.360 0.000 2.203 182 K HA 0.817 5.137 4.320 -0.000 0.000 0.251 182 K C -0.641 176.130 176.600 0.285 0.000 0.944 182 K CA -0.828 55.613 56.287 0.258 0.000 0.829 182 K CB 2.190 34.738 32.500 0.080 0.000 1.125 182 K HN 0.819 nan 8.250 nan 0.000 0.430 183 R N 0.771 121.414 120.500 0.239 0.000 2.725 183 R HA 0.555 4.894 4.340 -0.000 0.000 0.277 183 R C -1.410 174.936 176.300 0.076 0.000 0.987 183 R CA -1.194 54.993 56.100 0.146 0.000 0.901 183 R CB 1.873 32.352 30.300 0.298 0.000 1.207 183 R HN 0.400 nan 8.270 nan 0.000 0.463 184 K N 1.872 122.263 120.400 -0.015 0.000 2.464 184 K HA 0.433 4.753 4.320 -0.000 0.000 0.253 184 K C -1.877 174.649 176.600 -0.123 0.000 0.933 184 K CA -1.001 55.265 56.287 -0.035 0.000 0.801 184 K CB 2.122 34.627 32.500 0.008 0.000 1.271 184 K HN 0.529 nan 8.250 nan 0.000 0.430 185 L N 4.649 125.771 121.223 -0.169 0.000 2.316 185 L HA 0.456 4.796 4.340 -0.000 0.000 0.280 185 L C -1.760 175.001 176.870 -0.181 0.000 1.006 185 L CA -0.189 54.574 54.840 -0.129 0.000 0.836 185 L CB 0.500 42.501 42.059 -0.097 0.000 1.221 185 L HN 0.564 nan 8.230 nan 0.000 0.418 186 Y N 3.017 123.364 120.300 0.078 0.000 2.335 186 Y HA 0.509 5.058 4.550 -0.000 0.000 0.323 186 Y C -0.043 175.936 175.900 0.132 0.000 1.224 186 Y CA -0.234 57.962 58.100 0.161 0.000 1.241 186 Y CB 1.014 39.595 38.460 0.201 0.000 1.235 186 Y HN 0.548 nan 8.280 nan 0.000 0.492 187 H N -0.783 118.472 119.070 0.308 0.000 2.492 187 H HA 0.461 5.016 4.556 -0.000 0.000 0.345 187 H C -0.184 175.211 175.328 0.112 0.000 1.136 187 H CA -0.536 55.652 56.048 0.233 0.000 1.202 187 H CB 1.853 31.733 29.762 0.196 0.000 1.524 187 H HN 0.624 nan 8.280 nan 0.000 0.506 188 S N 0.070 115.815 115.700 0.075 0.000 2.684 188 S HA 0.032 4.502 4.470 -0.000 0.000 0.268 188 S C -0.050 174.529 174.600 -0.036 0.000 1.075 188 S CA -0.299 57.923 58.200 0.037 0.000 1.184 188 S CB 0.491 63.708 63.200 0.028 0.000 1.129 188 S HN 0.687 nan 8.310 nan 0.000 0.630 189 T N 2.455 116.934 114.554 -0.125 0.000 2.819 189 T HA 0.339 4.689 4.350 -0.000 0.000 0.282 189 T C 1.461 176.103 174.700 -0.096 0.000 1.013 189 T CA 1.176 63.182 62.100 -0.156 0.000 1.159 189 T CB 0.062 68.758 68.868 -0.287 0.000 1.007 189 T HN 0.652 nan 8.240 nan 0.000 0.514 190 G N 2.293 111.047 108.800 -0.077 0.000 2.267 190 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.257 190 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.257 190 G C 0.712 175.605 174.900 -0.012 0.000 0.998 190 G CA 0.375 45.447 45.100 -0.047 0.000 0.620 190 G HN 0.657 nan 8.290 nan 0.000 0.529 191 L N -0.862 120.364 121.223 0.006 0.000 2.537 191 L HA 0.471 4.811 4.340 -0.000 0.000 0.224 191 L C 0.867 177.752 176.870 0.025 0.000 1.065 191 L CA 0.745 55.606 54.840 0.035 0.000 0.860 191 L CB 0.410 42.521 42.059 0.087 0.000 1.086 191 L HN 0.259 nan 8.230 nan 0.000 0.482 192 D N -2.130 118.276 120.400 0.011 0.000 2.713 192 D HA 0.110 4.750 4.640 -0.000 0.000 0.306 192 D C -1.070 175.227 176.300 -0.006 0.000 1.299 192 D CA -0.564 53.440 54.000 0.006 0.000 0.823 192 D CB 1.276 42.087 40.800 0.019 0.000 1.353 192 D HN -0.176 nan 8.370 nan 0.000 0.447 193 D N 0.690 121.087 120.400 -0.004 0.000 2.977 193 D HA 0.160 4.800 4.640 -0.000 0.000 0.241 193 D C -0.434 175.866 176.300 0.001 0.000 1.206 193 D CA 0.727 54.725 54.000 -0.003 0.000 0.902 193 D CB 0.013 40.812 40.800 -0.001 0.000 1.131 193 D HN 0.124 nan 8.370 nan 0.000 0.447 194 T N -1.041 113.506 114.554 -0.011 0.000 2.886 194 T HA 0.050 4.400 4.350 -0.000 0.000 0.330 194 T C 0.151 174.798 174.700 -0.089 0.000 1.488 194 T CA -0.653 61.440 62.100 -0.012 0.000 1.054 194 T CB 1.834 70.706 68.868 0.007 0.000 1.348 194 T HN -0.274 nan 8.240 nan 0.000 0.489 195 D N 1.210 121.519 120.400 -0.152 0.000 2.149 195 D HA 0.197 4.837 4.640 -0.000 0.000 0.201 195 D C 0.129 175.800 176.300 -1.049 0.000 0.972 195 D CA 1.524 55.184 54.000 -0.566 0.000 0.835 195 D CB 0.099 40.586 40.800 -0.521 0.000 0.966 195 D HN 0.448 nan 8.370 nan 0.000 0.476 196 F N -1.024 118.983 119.950 0.095 0.000 2.645 196 F HA 0.472 4.999 4.527 -0.000 0.000 0.310 196 F C -0.449 175.356 175.800 0.008 0.000 1.102 196 F CA -1.068 56.949 58.000 0.027 0.000 0.952 196 F CB 1.497 40.485 39.000 -0.021 0.000 1.326 196 F HN -0.411 nan 8.300 nan 0.000 0.456 197 I N 1.202 121.903 120.570 0.218 0.000 2.465 197 I HA 0.561 4.730 4.170 -0.000 0.000 0.291 197 I C -0.500 175.656 176.117 0.065 0.000 1.014 197 I CA -0.592 60.736 61.300 0.046 0.000 1.093 197 I CB 2.322 40.260 38.000 -0.104 0.000 1.267 197 I HN 0.693 nan 8.210 nan 0.000 0.431 198 T N 1.999 116.511 114.554 -0.071 0.000 2.912 198 T HA 0.634 4.984 4.350 -0.000 0.000 0.288 198 T C -1.115 173.382 174.700 -0.339 0.000 1.030 198 T CA -0.829 61.156 62.100 -0.191 0.000 1.020 198 T CB 1.970 70.777 68.868 -0.103 0.000 1.056 198 T HN 0.488 nan 8.240 nan 0.000 0.480 199 Y N 1.809 121.636 120.300 -0.789 0.000 2.362 199 Y HA 0.621 5.171 4.550 -0.000 0.000 0.326 199 Y C -2.435 173.010 175.900 -0.760 0.000 1.083 199 Y CA -1.811 55.990 58.100 -0.498 0.000 1.073 199 Y CB 1.256 39.718 38.460 0.004 0.000 1.211 199 Y HN 0.755 nan 8.280 nan 0.000 0.433 200 F N 3.423 123.027 119.950 -0.576 0.000 2.565 200 F HA 0.565 5.092 4.527 -0.000 0.000 0.313 200 F C -0.532 174.921 175.800 -0.578 0.000 1.091 200 F CA -0.946 56.809 58.000 -0.409 0.000 0.915 200 F CB 2.262 41.163 39.000 -0.166 0.000 1.208 200 F HN 0.363 nan 8.300 nan 0.000 0.453 201 E N 0.997 121.110 120.200 -0.146 0.000 2.199 201 E HA 0.587 4.937 4.350 -0.000 0.000 0.265 201 E C -0.908 175.709 176.600 0.029 0.000 0.882 201 E CA -0.685 55.646 56.400 -0.116 0.000 0.759 201 E CB 2.592 32.243 29.700 -0.082 0.000 1.148 201 E HN 0.585 nan 8.360 nan 0.000 0.412 202 T N 0.837 115.418 114.554 0.044 0.000 2.843 202 T HA 0.174 4.523 4.350 -0.000 0.000 0.302 202 T C -0.804 174.030 174.700 0.223 0.000 1.232 202 T CA -0.451 61.755 62.100 0.176 0.000 1.009 202 T CB 1.663 70.605 68.868 0.123 0.000 1.254 202 T HN 0.392 nan 8.240 nan 0.000 0.504 203 D N 0.358 120.916 120.400 0.264 0.000 2.449 203 D HA 0.222 4.862 4.640 -0.000 0.000 0.210 203 D C -0.403 176.066 176.300 0.283 0.000 1.094 203 D CA 0.026 54.193 54.000 0.279 0.000 0.846 203 D CB 0.488 41.400 40.800 0.186 0.000 1.003 203 D HN 0.391 nan 8.370 nan 0.000 0.504 204 D N 0.618 121.132 120.400 0.191 0.000 2.464 204 D HA 0.146 4.786 4.640 -0.000 0.000 0.243 204 D C 1.125 177.475 176.300 0.083 0.000 1.104 204 D CA -0.288 53.785 54.000 0.123 0.000 0.883 204 D CB 0.798 41.663 40.800 0.108 0.000 1.050 204 D HN 0.086 nan 8.370 nan 0.000 0.524 205 L N 1.805 123.013 121.223 -0.025 0.000 2.291 205 L HA -0.050 4.290 4.340 -0.000 0.000 0.214 205 L C 2.076 178.949 176.870 0.005 0.000 1.120 205 L CA 0.742 55.536 54.840 -0.077 0.000 0.799 205 L CB -0.045 41.840 42.059 -0.291 0.000 0.925 205 L HN 0.307 nan 8.230 nan 0.000 0.446 206 T N -0.143 114.415 114.554 0.005 0.000 2.857 206 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 206 T C 2.052 176.778 174.700 0.044 0.000 1.048 206 T CA 1.171 63.278 62.100 0.012 0.000 1.139 206 T CB -0.027 68.847 68.868 0.009 0.000 0.874 206 T HN 0.420 nan 8.240 nan 0.000 0.455 207 A N 0.957 123.834 122.820 0.095 0.000 1.897 207 A HA 0.045 4.365 4.320 -0.000 0.000 0.215 207 A C 1.968 179.604 177.584 0.087 0.000 1.181 207 A CA 1.001 53.144 52.037 0.176 0.000 0.620 207 A CB -0.956 18.181 19.000 0.229 0.000 0.821 207 A HN 0.442 nan 8.150 nan 0.000 0.443 208 F N 1.704 121.602 119.950 -0.086 0.000 2.126 208 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 208 F C 2.191 177.821 175.800 -0.284 0.000 1.096 208 F CA 1.917 59.782 58.000 -0.225 0.000 1.255 208 F CB -0.283 38.594 39.000 -0.206 0.000 0.997 208 F HN 0.428 nan 8.300 nan 0.000 0.479 209 N N 0.210 118.833 118.700 -0.128 0.000 2.120 209 N HA -0.234 4.506 4.740 -0.000 0.000 0.188 209 N C 1.512 176.870 175.510 -0.253 0.000 1.024 209 N CA 1.540 54.477 53.050 -0.187 0.000 0.852 209 N CB -0.351 38.089 38.487 -0.079 0.000 1.003 209 N HN 0.304 nan 8.380 nan 0.000 0.424 210 N N 1.280 119.867 118.700 -0.189 0.000 2.223 210 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 210 N C 1.809 177.064 175.510 -0.425 0.000 1.016 210 N CA 0.445 53.392 53.050 -0.172 0.000 0.863 210 N CB -0.425 38.078 38.487 0.026 0.000 0.983 210 N HN 0.318 nan 8.380 nan 0.000 0.429 211 L N 0.929 121.656 121.223 -0.826 0.000 1.976 211 L HA -0.055 4.285 4.340 -0.000 0.000 0.209 211 L C 2.122 178.547 176.870 -0.742 0.000 1.071 211 L CA 1.569 55.702 54.840 -1.178 0.000 0.746 211 L CB -0.712 40.507 42.059 -1.400 0.000 0.890 211 L HN -0.011 nan 8.230 nan 0.000 0.432 212 M N -0.634 118.497 119.600 -0.781 0.000 2.089 212 M HA -0.257 4.223 4.480 -0.000 0.000 0.257 212 M C 2.422 178.605 176.300 -0.196 0.000 1.071 212 M CA 1.950 56.943 55.300 -0.512 0.000 1.096 212 M CB -1.312 30.931 32.600 -0.595 0.000 1.330 212 M HN 0.357 nan 8.290 nan 0.000 0.403 213 L N -1.005 120.100 121.223 -0.197 0.000 2.042 213 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 213 L C 2.595 179.418 176.870 -0.078 0.000 1.076 213 L CA 1.074 55.864 54.840 -0.083 0.000 0.749 213 L CB -0.816 41.194 42.059 -0.082 0.000 0.893 213 L HN 0.264 nan 8.230 nan 0.000 0.432 214 S N -0.187 115.431 115.700 -0.137 0.000 2.372 214 S HA -0.186 4.284 4.470 -0.000 0.000 0.227 214 S C 1.800 176.343 174.600 -0.095 0.000 1.044 214 S CA 1.401 59.537 58.200 -0.107 0.000 1.050 214 S CB -0.216 62.904 63.200 -0.134 0.000 0.901 214 S HN 0.179 nan 8.310 nan 0.000 0.447 215 L N 0.814 121.974 121.223 -0.105 0.000 2.313 215 L HA 0.237 4.577 4.340 -0.000 0.000 0.214 215 L C 2.322 179.198 176.870 0.011 0.000 1.119 215 L CA 0.967 55.777 54.840 -0.050 0.000 0.809 215 L CB -1.258 40.789 42.059 -0.020 0.000 0.933 215 L HN 0.278 nan 8.230 nan 0.000 0.449 216 A N -1.437 121.414 122.820 0.052 0.000 2.014 216 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 216 A C 2.042 179.558 177.584 -0.113 0.000 1.163 216 A CA 0.937 52.951 52.037 -0.038 0.000 0.652 216 A CB -0.262 18.810 19.000 0.120 0.000 0.808 216 A HN 0.513 nan 8.150 nan 0.000 0.449 217 Q N -0.376 119.381 119.800 -0.071 0.000 2.360 217 Q HA 0.173 4.513 4.340 -0.000 0.000 0.202 217 Q C 0.297 176.253 176.000 -0.074 0.000 0.915 217 Q CA 0.265 56.026 55.803 -0.071 0.000 0.943 217 Q CB 0.356 29.064 28.738 -0.050 0.000 1.064 217 Q HN 0.644 nan 8.270 nan 0.000 0.511 218 V N -2.957 116.908 119.914 -0.081 0.000 2.975 218 V HA 0.298 4.418 4.120 -0.000 0.000 0.318 218 V C 0.975 177.022 176.094 -0.077 0.000 1.077 218 V CA -0.927 61.337 62.300 -0.061 0.000 1.000 218 V CB 1.850 33.654 31.823 -0.032 0.000 1.066 218 V HN -0.054 nan 8.190 nan 0.000 0.452 219 K N 0.216 120.598 120.400 -0.030 0.000 2.160 219 K HA -0.233 4.087 4.320 -0.000 0.000 0.206 219 K C 1.922 178.549 176.600 0.044 0.000 1.047 219 K CA 2.240 58.525 56.287 -0.003 0.000 0.930 219 K CB -0.091 32.453 32.500 0.073 0.000 0.720 219 K HN 0.962 nan 8.250 nan 0.000 0.450 220 E N 0.771 121.002 120.200 0.051 0.000 2.118 220 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 220 E C 1.748 178.137 176.600 -0.352 0.000 0.992 220 E CA 1.266 57.669 56.400 0.004 0.000 0.804 220 E CB -0.225 29.412 29.700 -0.104 0.000 0.741 220 E HN 0.432 nan 8.360 nan 0.000 0.458 221 N N 0.366 118.806 118.700 -0.433 0.000 2.272 221 N HA -0.166 4.574 4.740 -0.000 0.000 0.185 221 N C 1.432 176.557 175.510 -0.641 0.000 1.014 221 N CA 0.758 53.401 53.050 -0.679 0.000 0.870 221 N CB 0.033 38.212 38.487 -0.514 0.000 0.975 221 N HN 0.141 nan 8.380 nan 0.000 0.433 222 K N -0.523 119.540 120.400 -0.561 0.000 2.442 222 K HA -0.117 4.203 4.320 -0.000 0.000 0.198 222 K C 0.646 176.741 176.600 -0.843 0.000 1.044 222 K CA 0.914 56.787 56.287 -0.689 0.000 0.948 222 K CB -0.007 32.022 32.500 -0.785 0.000 0.762 222 K HN 0.286 nan 8.250 nan 0.000 0.472 223 F N -0.691 119.036 119.950 -0.372 0.000 2.721 223 F HA 0.100 4.627 4.527 -0.000 0.000 0.301 223 F C 0.611 176.265 175.800 -0.243 0.000 1.096 223 F CA -0.489 57.355 58.000 -0.261 0.000 1.308 223 F CB 0.090 38.973 39.000 -0.196 0.000 1.086 223 F HN -0.065 nan 8.300 nan 0.000 0.587 224 H N 1.136 120.122 119.070 -0.140 0.000 2.886 224 H HA 0.143 4.699 4.556 -0.000 0.000 0.329 224 H C 1.265 176.564 175.328 -0.049 0.000 1.044 224 H CA 0.214 56.185 56.048 -0.128 0.000 1.456 224 H CB 1.535 31.105 29.762 -0.319 0.000 1.464 224 H HN 0.118 nan 8.280 nan 0.000 0.573 225 V N 1.126 121.140 119.914 0.166 0.000 3.635 225 V HA 0.311 4.431 4.120 -0.000 0.000 0.266 225 V C 0.841 177.010 176.094 0.126 0.000 1.316 225 V CA 0.163 62.536 62.300 0.121 0.000 1.060 225 V CB 0.331 32.224 31.823 0.117 0.000 0.820 225 V HN 0.479 nan 8.190 nan 0.000 0.447 226 R N -0.657 119.935 120.500 0.154 0.000 2.621 226 R HA 0.452 4.792 4.340 -0.000 0.000 0.284 226 R C -2.233 174.183 176.300 0.193 0.000 0.998 226 R CA -0.577 55.609 56.100 0.143 0.000 0.895 226 R CB 2.114 32.478 30.300 0.106 0.000 1.195 226 R HN 0.334 nan 8.270 nan 0.000 0.450 227 W N 5.240 126.491 121.300 -0.081 0.000 1.169 227 W HA 0.389 5.049 4.660 0.000 0.000 0.318 227 W C -0.470 175.986 176.519 -0.104 0.000 0.906 227 W CA 0.608 57.849 57.345 -0.174 0.000 1.379 227 W CB 0.506 29.819 29.460 -0.246 0.000 1.491 227 W HN 1.007 nan 8.180 nan 0.000 0.459 228 G N 0.479 109.251 108.800 -0.046 0.000 2.317 228 G HA2 0.137 4.097 3.960 -0.000 0.000 0.196 228 G HA3 0.137 4.097 3.960 -0.000 0.000 0.196 228 G C 0.214 175.088 174.900 -0.043 0.000 1.255 228 G CA -0.004 45.038 45.100 -0.097 0.000 1.243 228 G HN 0.854 nan 8.290 nan 0.000 0.535 229 S N 0.940 116.617 115.700 -0.037 0.000 3.356 229 S HA -0.086 4.384 4.470 -0.000 0.000 0.376 229 S C -1.958 172.625 174.600 -0.029 0.000 0.924 229 S CA 1.314 59.502 58.200 -0.020 0.000 1.316 229 S CB -1.471 61.736 63.200 0.012 0.000 0.922 229 S HN 0.989 nan 8.310 nan 0.000 0.553 230 P HA 0.432 nan 4.420 nan 0.000 0.292 230 P C -0.416 176.814 177.300 -0.117 0.000 1.283 230 P CA -0.445 62.608 63.100 -0.078 0.000 0.835 230 P CB 0.909 32.558 31.700 -0.086 0.000 1.017 231 T N 2.248 116.731 114.554 -0.118 0.000 2.727 231 T HA 0.271 4.621 4.350 -0.000 0.000 0.295 231 T C 0.089 174.697 174.700 -0.152 0.000 0.915 231 T CA 0.339 62.350 62.100 -0.149 0.000 1.066 231 T CB -0.470 68.307 68.868 -0.152 0.000 0.891 231 T HN 0.282 nan 8.240 nan 0.000 0.516 232 T N 5.165 119.599 114.554 -0.199 0.000 2.756 232 T HA 0.490 4.840 4.350 -0.000 0.000 0.290 232 T C -0.600 173.995 174.700 -0.175 0.000 0.985 232 T CA -0.666 61.300 62.100 -0.222 0.000 0.955 232 T CB 0.572 69.197 68.868 -0.405 0.000 0.930 232 T HN 0.353 nan 8.240 nan 0.000 0.451 233 L N 3.489 124.658 121.223 -0.090 0.000 2.372 233 L HA 0.879 5.219 4.340 -0.000 0.000 0.273 233 L C -0.120 176.786 176.870 0.059 0.000 0.989 233 L CA -0.077 54.733 54.840 -0.050 0.000 0.841 233 L CB 0.913 42.909 42.059 -0.104 0.000 1.225 233 L HN 0.681 nan 8.230 nan 0.000 0.414 234 G N 2.027 110.921 108.800 0.157 0.000 3.247 234 G HA2 0.634 4.594 3.960 -0.000 0.000 0.226 234 G HA3 0.634 4.594 3.960 -0.000 0.000 0.226 234 G C -1.223 173.818 174.900 0.234 0.000 1.220 234 G CA -0.438 44.801 45.100 0.230 0.000 0.875 234 G HN 0.548 nan 8.290 nan 0.000 0.606 235 T N 0.097 114.780 114.554 0.215 0.000 2.893 235 T HA 0.537 4.887 4.350 -0.000 0.000 0.293 235 T C -0.594 174.111 174.700 0.009 0.000 1.027 235 T CA -0.316 61.835 62.100 0.086 0.000 0.988 235 T CB 1.045 69.981 68.868 0.115 0.000 1.043 235 T HN 0.316 nan 8.240 nan 0.000 0.461 236 I N 5.681 126.128 120.570 -0.205 0.000 2.371 236 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 236 I C 0.294 176.039 176.117 -0.619 0.000 1.028 236 I CA -0.254 60.931 61.300 -0.193 0.000 1.345 236 I CB 0.314 38.260 38.000 -0.091 0.000 1.407 236 I HN 0.571 nan 8.210 nan 0.000 0.501 237 H N 2.774 121.779 119.070 -0.109 0.000 2.960 237 H HA 0.238 4.794 4.556 -0.000 0.000 0.323 237 H C -0.529 174.690 175.328 -0.182 0.000 1.326 237 H CA -0.854 55.118 56.048 -0.126 0.000 1.124 237 H CB 1.665 31.360 29.762 -0.112 0.000 1.853 237 H HN 0.542 nan 8.280 nan 0.000 0.536 238 S N 0.745 116.450 115.700 0.008 0.000 2.573 238 S HA 0.044 4.514 4.470 -0.000 0.000 0.277 238 S C -1.861 172.670 174.600 -0.115 0.000 1.346 238 S CA -0.721 57.437 58.200 -0.070 0.000 1.034 238 S CB 1.308 64.483 63.200 -0.043 0.000 0.879 238 S HN 0.327 nan 8.310 nan 0.000 0.528 239 P HA -0.166 nan 4.420 nan 0.000 0.215 239 P C 1.333 178.560 177.300 -0.123 0.000 1.157 239 P CA 1.833 64.838 63.100 -0.158 0.000 0.874 239 P CB -0.109 31.542 31.700 -0.081 0.000 0.790 240 E N -0.756 119.400 120.200 -0.073 0.000 2.110 240 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 240 E C 1.454 178.001 176.600 -0.088 0.000 0.988 240 E CA 1.248 57.611 56.400 -0.062 0.000 0.804 240 E CB -1.016 28.664 29.700 -0.033 0.000 0.745 240 E HN 0.194 nan 8.360 nan 0.000 0.458 241 D N 0.612 120.955 120.400 -0.094 0.000 2.178 241 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 241 D C 2.010 178.189 176.300 -0.202 0.000 0.974 241 D CA 0.649 54.571 54.000 -0.129 0.000 0.841 241 D CB 0.054 40.792 40.800 -0.103 0.000 0.953 241 D HN 0.091 nan 8.370 nan 0.000 0.478 242 V N 1.218 121.013 119.914 -0.198 0.000 2.307 242 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 242 V C 2.361 178.310 176.094 -0.241 0.000 1.045 242 V CA 0.925 63.086 62.300 -0.232 0.000 1.024 242 V CB -0.235 31.438 31.823 -0.249 0.000 0.651 242 V HN 0.186 nan 8.190 nan 0.000 0.449 243 I N -0.006 120.419 120.570 -0.242 0.000 2.286 243 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 243 I C 2.387 178.450 176.117 -0.090 0.000 1.115 243 I CA 1.593 62.766 61.300 -0.211 0.000 1.392 243 I CB -1.282 36.625 38.000 -0.155 0.000 1.065 243 I HN 0.364 nan 8.210 nan 0.000 0.418 244 K N 1.031 121.383 120.400 -0.079 0.000 2.057 244 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 244 K C 2.259 178.838 176.600 -0.035 0.000 1.049 244 K CA 1.602 57.865 56.287 -0.041 0.000 0.931 244 K CB -0.165 32.302 32.500 -0.055 0.000 0.714 244 K HN 0.300 nan 8.250 nan 0.000 0.440 245 A N 1.150 123.918 122.820 -0.087 0.000 1.933 245 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 245 A C 1.892 179.469 177.584 -0.011 0.000 1.175 245 A CA 1.210 53.200 52.037 -0.078 0.000 0.628 245 A CB -0.504 18.400 19.000 -0.160 0.000 0.814 245 A HN 0.212 nan 8.150 nan 0.000 0.444 246 L N -0.944 120.273 121.223 -0.010 0.000 2.610 246 L HA -0.020 4.320 4.340 -0.000 0.000 0.232 246 L C 2.599 179.635 176.870 0.277 0.000 1.149 246 L CA 0.364 55.240 54.840 0.060 0.000 0.872 246 L CB -0.349 41.648 42.059 -0.103 0.000 0.992 246 L HN 0.487 nan 8.230 nan 0.000 0.447 247 A N 0.040 122.997 122.820 0.228 0.000 1.871 247 A HA -0.040 4.280 4.320 -0.000 0.000 0.211 247 A C 0.857 178.524 177.584 0.137 0.000 1.207 247 A CA 0.578 52.774 52.037 0.265 0.000 0.620 247 A CB -0.179 18.899 19.000 0.130 0.000 0.860 247 A HN 0.409 nan 8.150 nan 0.000 0.450 248 D N 0.000 120.447 120.400 0.079 0.000 6.856 248 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 248 D CA 0.000 54.018 54.000 0.030 0.000 0.868 248 D CB 0.000 40.808 40.800 0.013 0.000 0.688 248 D HN 0.000 nan 8.370 nan 0.000 0.683