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 2npm_1_B DATA FIRST_RESID 24 DATA SEQUENCE SVNARESNVY MAKLAEQAER YDEMAKYMKD VVEARQXSEE LTVEERNLLS DATA SEQUENCE VAYKNAVGSR RSSWRIISSV EQKEHSRNAE DASKMCGKYR SKVEAELTDI DATA SEQUENCE CNDILTMLDK HLIPTATSPD SKVFYFKMKG DYHRYISEFS TGDSKQSSAE DATA SEQUENCE DALKAYKDAT VVAKDLEPTH PIRLGLALNF SVFHYEILNE PRAAIDMAKE DATA SEQUENCE AFEMAIEQLD KLSEDCYKDS TLIMQLLRDN LTLWTA 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 24 S HA 0.000 nan 4.470 nan 0.000 0.327 24 S C 0.000 174.599 174.600 -0.001 0.000 1.055 24 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 24 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 25 V N 2.621 122.534 119.914 -0.001 0.000 3.620 25 V HA 0.265 4.386 4.120 0.001 0.000 0.286 25 V C 1.407 177.501 176.094 -0.001 0.000 1.288 25 V CA 1.078 63.378 62.300 0.000 0.000 1.178 25 V CB -0.687 31.137 31.823 0.001 0.000 0.986 25 V HN 0.523 nan 8.190 nan 0.000 0.431 26 N N 1.334 120.031 118.700 -0.005 0.000 2.120 26 N HA -0.134 4.607 4.740 0.001 0.000 0.188 26 N C 2.095 177.600 175.510 -0.008 0.000 1.024 26 N CA 1.579 54.623 53.050 -0.010 0.000 0.852 26 N CB 0.046 38.524 38.487 -0.014 0.000 1.003 26 N HN 0.633 nan 8.380 nan 0.000 0.424 27 A N 1.282 124.102 122.820 -0.001 0.000 1.972 27 A HA -0.116 4.204 4.320 0.001 0.000 0.219 27 A C 2.520 180.113 177.584 0.016 0.000 1.169 27 A CA 2.116 54.158 52.037 0.008 0.000 0.635 27 A CB -0.711 18.297 19.000 0.014 0.000 0.810 27 A HN 0.416 nan 8.150 nan 0.000 0.446 28 R N -1.184 119.324 120.500 0.013 0.000 2.070 28 R HA -0.043 4.298 4.340 0.001 0.000 0.233 28 R C 2.347 178.660 176.300 0.022 0.000 1.137 28 R CA 2.645 58.756 56.100 0.019 0.000 0.945 28 R CB -1.915 28.393 30.300 0.013 0.000 0.845 28 R HN 0.814 nan 8.270 nan 0.000 0.430 29 E N 0.293 120.502 120.200 0.015 0.000 2.130 29 E HA -0.218 4.133 4.350 0.001 0.000 0.196 29 E C 2.241 178.861 176.600 0.032 0.000 0.998 29 E CA 2.079 58.492 56.400 0.022 0.000 0.806 29 E CB -0.859 28.845 29.700 0.007 0.000 0.738 29 E HN 0.778 nan 8.360 nan 0.000 0.459 30 S N 0.208 115.911 115.700 0.006 0.000 2.377 30 S HA -0.145 4.326 4.470 0.001 0.000 0.223 30 S C 1.986 176.575 174.600 -0.017 0.000 1.030 30 S CA 1.115 59.306 58.200 -0.014 0.000 0.970 30 S CB -0.247 62.929 63.200 -0.039 0.000 0.830 30 S HN 0.546 nan 8.310 nan 0.000 0.473 31 N N 1.359 120.061 118.700 0.003 0.000 2.166 31 N HA -0.038 4.702 4.740 0.001 0.000 0.186 31 N C 1.760 177.252 175.510 -0.030 0.000 1.019 31 N CA 1.327 54.380 53.050 0.005 0.000 0.856 31 N CB -0.731 37.819 38.487 0.106 0.000 0.993 31 N HN 0.298 nan 8.380 nan 0.000 0.426 32 V N 0.475 120.400 119.914 0.017 0.000 2.358 32 V HA -0.225 3.895 4.120 0.001 0.000 0.246 32 V C 1.981 178.074 176.094 -0.002 0.000 1.047 32 V CA 1.264 63.577 62.300 0.021 0.000 1.035 32 V CB -0.682 31.162 31.823 0.035 0.000 0.658 32 V HN 0.271 nan 8.190 nan 0.000 0.452 33 Y N -0.175 120.061 120.300 -0.106 0.000 2.128 33 Y HA -0.304 4.247 4.550 0.001 0.000 0.284 33 Y C 2.591 178.371 175.900 -0.200 0.000 1.154 33 Y CA 2.020 60.047 58.100 -0.122 0.000 1.149 33 Y CB -0.083 38.313 38.460 -0.107 0.000 0.976 33 Y HN 0.115 nan 8.280 nan 0.000 0.505 34 M N -0.153 119.355 119.600 -0.154 0.000 2.159 34 M HA -0.159 4.322 4.480 0.001 0.000 0.263 34 M C 2.481 178.494 176.300 -0.479 0.000 1.063 34 M CA 1.544 56.519 55.300 -0.542 0.000 1.110 34 M CB -1.859 29.911 32.600 -1.383 0.000 1.374 34 M HN 0.464 nan 8.290 nan 0.000 0.411 35 A N 0.510 123.166 122.820 -0.273 0.000 1.865 35 A HA -0.215 4.106 4.320 0.001 0.000 0.217 35 A C 2.292 179.854 177.584 -0.037 0.000 1.191 35 A CA 1.991 54.032 52.037 0.007 0.000 0.623 35 A CB -0.663 18.387 19.000 0.083 0.000 0.826 35 A HN 0.471 nan 8.150 nan 0.000 0.444 36 K N -1.034 119.303 120.400 -0.105 0.000 2.074 36 K HA -0.177 4.144 4.320 0.001 0.000 0.209 36 K C 1.898 178.392 176.600 -0.177 0.000 1.048 36 K CA 1.514 57.718 56.287 -0.138 0.000 0.926 36 K CB -0.384 31.991 32.500 -0.210 0.000 0.713 36 K HN 0.388 nan 8.250 nan 0.000 0.444 37 L N 0.774 121.850 121.223 -0.245 0.000 2.056 37 L HA -0.096 4.244 4.340 0.001 0.000 0.207 37 L C 2.133 178.934 176.870 -0.116 0.000 1.078 37 L CA 1.784 56.501 54.840 -0.206 0.000 0.749 37 L CB -0.645 41.293 42.059 -0.201 0.000 0.901 37 L HN 0.123 nan 8.230 nan 0.000 0.433 38 A N -0.992 121.785 122.820 -0.071 0.000 1.969 38 A HA -0.217 4.104 4.320 0.001 0.000 0.218 38 A C 2.285 179.766 177.584 -0.172 0.000 1.169 38 A CA 1.470 53.476 52.037 -0.052 0.000 0.635 38 A CB -0.604 18.450 19.000 0.089 0.000 0.810 38 A HN 0.631 nan 8.150 nan 0.000 0.445 39 E N -0.191 119.938 120.200 -0.117 0.000 2.047 39 E HA -0.243 4.107 4.350 0.001 0.000 0.191 39 E C 2.076 178.593 176.600 -0.138 0.000 0.987 39 E CA 1.285 57.617 56.400 -0.115 0.000 0.799 39 E CB -0.238 29.490 29.700 0.047 0.000 0.752 39 E HN 0.720 nan 8.360 nan 0.000 0.449 40 Q N -0.269 119.469 119.800 -0.102 0.000 2.124 40 Q HA -0.135 4.205 4.340 0.001 0.000 0.202 40 Q C 2.060 177.999 176.000 -0.102 0.000 0.977 40 Q CA 1.382 57.135 55.803 -0.085 0.000 0.850 40 Q CB -0.101 28.586 28.738 -0.084 0.000 0.901 40 Q HN 0.388 nan 8.270 nan 0.000 0.429 41 A N 0.382 123.123 122.820 -0.131 0.000 2.167 41 A HA -0.083 4.237 4.320 0.001 0.000 0.214 41 A C 0.251 177.717 177.584 -0.196 0.000 1.151 41 A CA 0.480 52.441 52.037 -0.127 0.000 0.735 41 A CB 0.033 18.973 19.000 -0.099 0.000 0.802 41 A HN 0.442 nan 8.150 nan 0.000 0.467 42 E N -1.432 118.552 120.200 -0.360 0.000 2.442 42 E HA -0.173 4.177 4.350 0.001 0.000 0.256 42 E C -0.572 175.673 176.600 -0.593 0.000 1.095 42 E CA 0.324 56.361 56.400 -0.604 0.000 0.747 42 E CB -1.271 28.306 29.700 -0.206 0.000 1.310 42 E HN 0.684 nan 8.360 nan 0.000 0.396 43 R N 0.543 120.711 120.500 -0.554 0.000 2.505 43 R HA 0.219 4.559 4.340 0.001 0.000 0.284 43 R C 0.070 176.219 176.300 -0.253 0.000 1.324 43 R CA -0.284 55.645 56.100 -0.285 0.000 1.432 43 R CB 0.298 30.516 30.300 -0.137 0.000 1.107 43 R HN 0.147 nan 8.270 nan 0.000 0.587 44 Y N 0.025 120.310 120.300 -0.026 0.000 2.365 44 Y HA -0.089 4.462 4.550 0.001 0.000 0.293 44 Y C 1.630 177.467 175.900 -0.105 0.000 1.119 44 Y CA 0.639 58.709 58.100 -0.050 0.000 1.203 44 Y CB 0.237 38.667 38.460 -0.050 0.000 1.026 44 Y HN 0.335 nan 8.280 nan 0.000 0.549 45 D N 0.486 120.910 120.400 0.040 0.000 2.149 45 D HA -0.168 4.472 4.640 0.001 0.000 0.198 45 D C 1.693 177.933 176.300 -0.100 0.000 0.990 45 D CA 1.449 55.412 54.000 -0.063 0.000 0.839 45 D CB -0.152 40.618 40.800 -0.050 0.000 0.948 45 D HN 0.501 nan 8.370 nan 0.000 0.460 46 E N -0.113 120.038 120.200 -0.082 0.000 2.107 46 E HA -0.061 4.289 4.350 0.001 0.000 0.191 46 E C 2.083 178.642 176.600 -0.068 0.000 0.982 46 E CA 0.196 56.510 56.400 -0.144 0.000 0.809 46 E CB -0.064 29.583 29.700 -0.087 0.000 0.756 46 E HN 0.205 nan 8.360 nan 0.000 0.459 47 M N 0.702 120.342 119.600 0.066 0.000 2.108 47 M HA -0.209 4.271 4.480 0.001 0.000 0.261 47 M C 2.256 178.619 176.300 0.104 0.000 1.066 47 M CA 1.720 57.121 55.300 0.167 0.000 1.107 47 M CB -0.056 32.642 32.600 0.164 0.000 1.356 47 M HN 0.160 nan 8.290 nan 0.000 0.406 48 A N 0.523 123.316 122.820 -0.046 0.000 1.898 48 A HA -0.137 4.184 4.320 0.001 0.000 0.216 48 A C 2.260 179.829 177.584 -0.026 0.000 1.181 48 A CA 2.404 54.334 52.037 -0.178 0.000 0.620 48 A CB -1.121 17.445 19.000 -0.724 0.000 0.819 48 A HN 0.571 nan 8.150 nan 0.000 0.442 49 K N -1.256 119.081 120.400 -0.106 0.000 2.148 49 K HA -0.118 4.202 4.320 0.001 0.000 0.204 49 K C 1.834 178.378 176.600 -0.093 0.000 1.050 49 K CA 1.601 57.815 56.287 -0.123 0.000 0.942 49 K CB -1.111 31.249 32.500 -0.234 0.000 0.724 49 K HN 0.621 nan 8.250 nan 0.000 0.446 50 Y N 0.382 120.698 120.300 0.027 0.000 2.163 50 Y HA -0.112 4.439 4.550 0.001 0.000 0.288 50 Y C 2.583 178.510 175.900 0.045 0.000 1.136 50 Y CA 1.524 59.644 58.100 0.033 0.000 1.147 50 Y CB -0.204 38.275 38.460 0.031 0.000 0.987 50 Y HN 0.069 nan 8.280 nan 0.000 0.509 51 M N 0.139 119.876 119.600 0.229 0.000 2.175 51 M HA -0.170 4.311 4.480 0.001 0.000 0.264 51 M C 2.149 178.530 176.300 0.134 0.000 1.063 51 M CA 1.343 56.750 55.300 0.178 0.000 1.119 51 M CB -1.109 31.615 32.600 0.207 0.000 1.377 51 M HN 0.230 nan 8.290 nan 0.000 0.415 52 K N 0.532 121.020 120.400 0.147 0.000 2.032 52 K HA -0.213 4.107 4.320 0.001 0.000 0.209 52 K C 1.291 177.897 176.600 0.009 0.000 1.048 52 K CA 1.833 58.168 56.287 0.079 0.000 0.927 52 K CB -0.029 32.534 32.500 0.105 0.000 0.712 52 K HN 0.193 nan 8.250 nan 0.000 0.441 53 D N 0.289 120.710 120.400 0.034 0.000 2.219 53 D HA -0.112 4.528 4.640 0.001 0.000 0.205 53 D C 1.936 178.241 176.300 0.009 0.000 0.970 53 D CA 0.784 54.795 54.000 0.019 0.000 0.851 53 D CB -0.009 40.824 40.800 0.056 0.000 0.943 53 D HN 0.079 nan 8.370 nan 0.000 0.488 54 V N 0.598 120.530 119.914 0.031 0.000 2.261 54 V HA -0.210 3.910 4.120 0.001 0.000 0.246 54 V C 2.691 178.760 176.094 -0.041 0.000 1.047 54 V CA 1.036 63.343 62.300 0.013 0.000 1.015 54 V CB -0.555 31.293 31.823 0.041 0.000 0.642 54 V HN 0.052 nan 8.190 nan 0.000 0.446 55 V N 0.359 120.230 119.914 -0.070 0.000 2.255 55 V HA -0.284 3.836 4.120 0.001 0.000 0.247 55 V C 2.438 178.341 176.094 -0.318 0.000 1.051 55 V CA 2.307 64.510 62.300 -0.162 0.000 1.018 55 V CB -0.757 30.962 31.823 -0.173 0.000 0.641 55 V HN 0.659 nan 8.190 nan 0.000 0.445 56 E N 0.271 120.265 120.200 -0.344 0.000 2.274 56 E HA -0.088 4.262 4.350 0.001 0.000 0.194 56 E C 2.172 178.653 176.600 -0.198 0.000 0.996 56 E CA 1.082 57.221 56.400 -0.436 0.000 0.840 56 E CB -0.226 29.320 29.700 -0.256 0.000 0.772 56 E HN 0.621 nan 8.360 nan 0.000 0.491 57 A N 1.484 124.236 122.820 -0.114 0.000 2.016 57 A HA -0.028 4.292 4.320 0.001 0.000 0.217 57 A C 1.263 178.827 177.584 -0.032 0.000 1.162 57 A CA 0.130 52.138 52.037 -0.049 0.000 0.662 57 A CB 0.066 19.050 19.000 -0.025 0.000 0.812 57 A HN -0.055 nan 8.150 nan 0.000 0.450 58 R N 0.932 121.406 120.500 -0.044 0.000 2.522 58 R HA 0.351 4.692 4.340 0.001 0.000 0.284 58 R C 0.735 177.037 176.300 0.004 0.000 1.032 58 R CA 0.674 56.763 56.100 -0.018 0.000 1.049 58 R CB -0.557 29.729 30.300 -0.023 0.000 0.956 58 R HN 0.623 nan 8.270 nan 0.000 0.422 62 E N 1.492 121.695 120.200 0.005 0.000 2.331 62 E HA 0.614 4.964 4.350 0.001 0.000 0.272 62 E C -0.229 176.376 176.600 0.008 0.000 1.036 62 E CA -0.388 56.016 56.400 0.006 0.000 0.864 62 E CB 0.281 29.984 29.700 0.005 0.000 1.035 62 E HN 0.750 nan 8.360 nan 0.000 0.408 63 E N 0.819 121.028 120.200 0.016 0.000 2.266 63 E HA 0.368 4.718 4.350 0.001 0.000 0.277 63 E C -0.099 176.522 176.600 0.035 0.000 1.018 63 E CA -0.553 55.867 56.400 0.032 0.000 0.840 63 E CB 1.395 31.122 29.700 0.046 0.000 1.082 63 E HN 0.529 nan 8.360 nan 0.000 0.395 64 L N 2.213 123.471 121.223 0.058 0.000 2.485 64 L HA 0.026 4.366 4.340 0.001 0.000 0.275 64 L C 0.874 177.764 176.870 0.033 0.000 1.207 64 L CA 0.180 55.054 54.840 0.057 0.000 0.855 64 L CB -0.069 42.051 42.059 0.102 0.000 1.114 64 L HN 0.565 nan 8.230 nan 0.000 0.485 65 T N 1.664 116.224 114.554 0.009 0.000 2.791 65 T HA -0.012 4.339 4.350 0.001 0.000 0.323 65 T C 1.565 176.232 174.700 -0.055 0.000 1.082 65 T CA -0.625 61.465 62.100 -0.017 0.000 1.084 65 T CB 1.227 70.089 68.868 -0.010 0.000 0.992 65 T HN 0.402 nan 8.240 nan 0.000 0.547 66 V N 1.473 121.336 119.914 -0.084 0.000 2.332 66 V HA -0.167 3.954 4.120 0.001 0.000 0.248 66 V C 2.504 178.532 176.094 -0.110 0.000 1.055 66 V CA 2.166 64.381 62.300 -0.142 0.000 1.038 66 V CB -0.672 31.081 31.823 -0.116 0.000 0.651 66 V HN 0.929 nan 8.190 nan 0.000 0.450 67 E N 0.145 120.312 120.200 -0.055 0.000 2.072 67 E HA -0.242 4.108 4.350 0.001 0.000 0.191 67 E C 2.165 178.761 176.600 -0.006 0.000 0.985 67 E CA 1.498 57.882 56.400 -0.027 0.000 0.801 67 E CB -0.032 29.660 29.700 -0.013 0.000 0.750 67 E HN 0.747 nan 8.360 nan 0.000 0.452 68 E N 0.434 120.634 120.200 0.001 0.000 2.047 68 E HA -0.188 4.163 4.350 0.001 0.000 0.191 68 E C 2.323 178.956 176.600 0.055 0.000 0.987 68 E CA 0.616 57.036 56.400 0.034 0.000 0.799 68 E CB -0.215 29.507 29.700 0.037 0.000 0.752 68 E HN 0.128 nan 8.360 nan 0.000 0.449 69 R N 1.346 121.853 120.500 0.012 0.000 2.083 69 R HA -0.173 4.168 4.340 0.001 0.000 0.237 69 R C 1.709 178.040 176.300 0.052 0.000 1.137 69 R CA 1.590 57.697 56.100 0.011 0.000 0.951 69 R CB -0.360 29.796 30.300 -0.241 0.000 0.851 69 R HN 0.140 nan 8.270 nan 0.000 0.434 70 N N 1.035 119.718 118.700 -0.028 0.000 2.104 70 N HA -0.154 4.587 4.740 0.001 0.000 0.190 70 N C 1.997 177.594 175.510 0.145 0.000 1.024 70 N CA 1.250 54.349 53.050 0.082 0.000 0.853 70 N CB -0.336 38.166 38.487 0.024 0.000 1.008 70 N HN 0.273 nan 8.380 nan 0.000 0.424 71 L N 0.210 121.501 121.223 0.114 0.000 2.093 71 L HA -0.117 4.224 4.340 0.001 0.000 0.208 71 L C 2.269 179.254 176.870 0.191 0.000 1.085 71 L CA 0.483 55.403 54.840 0.134 0.000 0.755 71 L CB -0.361 41.758 42.059 0.100 0.000 0.904 71 L HN 0.121 nan 8.230 nan 0.000 0.435 72 L N -0.894 120.457 121.223 0.214 0.000 2.046 72 L HA -0.214 4.126 4.340 0.001 0.000 0.208 72 L C 2.713 179.799 176.870 0.360 0.000 1.077 72 L CA 2.008 57.020 54.840 0.286 0.000 0.747 72 L CB -0.467 41.736 42.059 0.241 0.000 0.896 72 L HN 0.218 nan 8.230 nan 0.000 0.432 73 S N -1.526 114.377 115.700 0.339 0.000 2.357 73 S HA -0.132 4.338 4.470 0.001 0.000 0.221 73 S C 1.981 176.760 174.600 0.298 0.000 1.031 73 S CA 1.370 59.788 58.200 0.362 0.000 0.982 73 S CB -0.455 63.000 63.200 0.424 0.000 0.853 73 S HN 0.286 nan 8.310 nan 0.000 0.458 74 V N 2.391 122.440 119.914 0.224 0.000 2.332 74 V HA -0.177 3.944 4.120 0.001 0.000 0.248 74 V C 2.936 179.090 176.094 0.100 0.000 1.055 74 V CA 1.910 64.294 62.300 0.141 0.000 1.038 74 V CB -1.408 30.491 31.823 0.126 0.000 0.651 74 V HN 0.638 nan 8.190 nan 0.000 0.450 75 A N -1.359 121.559 122.820 0.163 0.000 1.877 75 A HA -0.218 4.103 4.320 0.001 0.000 0.216 75 A C 2.071 179.630 177.584 -0.041 0.000 1.186 75 A CA 1.889 53.988 52.037 0.104 0.000 0.620 75 A CB -0.713 18.357 19.000 0.116 0.000 0.822 75 A HN 0.565 nan 8.150 nan 0.000 0.443 76 Y N -0.416 119.949 120.300 0.107 0.000 2.220 76 Y HA -0.124 4.427 4.550 0.001 0.000 0.291 76 Y C 2.465 178.491 175.900 0.210 0.000 1.129 76 Y CA 1.845 60.018 58.100 0.122 0.000 1.161 76 Y CB -0.141 38.333 38.460 0.023 0.000 0.997 76 Y HN 0.271 nan 8.280 nan 0.000 0.522 77 K N 0.763 121.369 120.400 0.343 0.000 2.020 77 K HA -0.197 4.123 4.320 0.001 0.000 0.212 77 K C 1.663 178.243 176.600 -0.034 0.000 1.050 77 K CA 2.038 58.430 56.287 0.176 0.000 0.929 77 K CB -0.390 32.184 32.500 0.123 0.000 0.714 77 K HN 0.245 nan 8.250 nan 0.000 0.443 78 N N -0.171 118.422 118.700 -0.178 0.000 2.142 78 N HA -0.120 4.620 4.740 0.001 0.000 0.186 78 N C 1.716 177.085 175.510 -0.234 0.000 1.023 78 N CA 1.258 54.071 53.050 -0.396 0.000 0.852 78 N CB -0.240 37.574 38.487 -1.120 0.000 0.998 78 N HN 0.319 nan 8.380 nan 0.000 0.424 79 A N 0.969 123.702 122.820 -0.145 0.000 1.908 79 A HA -0.105 4.216 4.320 0.001 0.000 0.218 79 A C 2.472 180.034 177.584 -0.036 0.000 1.181 79 A CA 1.330 53.323 52.037 -0.073 0.000 0.627 79 A CB -0.826 18.081 19.000 -0.156 0.000 0.818 79 A HN 0.154 nan 8.150 nan 0.000 0.445 80 V N -0.457 119.460 119.914 0.006 0.000 2.488 80 V HA -0.028 4.093 4.120 0.001 0.000 0.246 80 V C 2.579 178.609 176.094 -0.106 0.000 1.046 80 V CA 1.791 64.094 62.300 0.004 0.000 1.053 80 V CB -0.706 31.195 31.823 0.130 0.000 0.679 80 V HN 0.592 nan 8.190 nan 0.000 0.458 81 G N -0.035 108.683 108.800 -0.136 0.000 2.440 81 G HA2 -0.324 3.636 3.960 0.001 0.000 0.218 81 G HA3 -0.324 3.636 3.960 0.001 0.000 0.218 81 G C 1.877 176.721 174.900 -0.093 0.000 1.154 81 G CA 1.529 46.537 45.100 -0.153 0.000 0.767 81 G HN 0.672 nan 8.290 nan 0.000 0.552 82 S N 0.779 116.438 115.700 -0.068 0.000 2.371 82 S HA -0.051 4.419 4.470 0.001 0.000 0.224 82 S C 2.342 176.930 174.600 -0.019 0.000 1.029 82 S CA 1.022 59.204 58.200 -0.030 0.000 0.978 82 S CB -0.194 63.003 63.200 -0.005 0.000 0.833 82 S HN 0.282 nan 8.310 nan 0.000 0.466 83 R N 1.804 122.286 120.500 -0.030 0.000 2.120 83 R HA 0.118 4.458 4.340 0.001 0.000 0.234 83 R C 2.360 178.665 176.300 0.009 0.000 1.123 83 R CA 1.182 57.265 56.100 -0.028 0.000 0.975 83 R CB -0.935 29.332 30.300 -0.055 0.000 0.866 83 R HN 0.532 nan 8.270 nan 0.000 0.446 84 R N 0.222 120.712 120.500 -0.016 0.000 2.090 84 R HA -0.020 4.321 4.340 0.001 0.000 0.228 84 R C 2.462 178.838 176.300 0.127 0.000 1.110 84 R CA 1.473 57.589 56.100 0.026 0.000 0.973 84 R CB -0.258 29.991 30.300 -0.085 0.000 0.869 84 R HN 0.216 nan 8.270 nan 0.000 0.440 85 S N 0.173 115.909 115.700 0.060 0.000 2.355 85 S HA -0.114 4.357 4.470 0.001 0.000 0.222 85 S C 1.900 176.547 174.600 0.079 0.000 1.031 85 S CA 1.694 59.934 58.200 0.066 0.000 0.993 85 S CB -0.081 63.135 63.200 0.026 0.000 0.859 85 S HN 0.267 nan 8.310 nan 0.000 0.453 86 S N 0.427 116.160 115.700 0.055 0.000 2.359 86 S HA -0.156 4.314 4.470 0.001 0.000 0.224 86 S C 1.254 175.876 174.600 0.037 0.000 1.035 86 S CA 1.383 59.600 58.200 0.027 0.000 1.018 86 S CB -0.910 62.277 63.200 -0.023 0.000 0.876 86 S HN 0.795 nan 8.310 nan 0.000 0.448 87 W N 2.844 124.090 121.300 -0.089 0.000 2.304 87 W HA -0.204 4.457 4.660 0.001 0.000 0.315 87 W C 2.423 178.930 176.519 -0.021 0.000 1.233 87 W CA 1.666 58.964 57.345 -0.079 0.000 1.261 87 W CB -0.233 29.176 29.460 -0.084 0.000 1.150 87 W HN 0.137 nan 8.180 nan 0.000 0.494 88 R N -0.483 120.158 120.500 0.236 0.000 2.075 88 R HA -0.132 4.208 4.340 0.001 0.000 0.232 88 R C 2.237 178.501 176.300 -0.060 0.000 1.126 88 R CA 1.828 57.989 56.100 0.101 0.000 0.963 88 R CB -0.811 29.628 30.300 0.232 0.000 0.858 88 R HN 0.299 nan 8.270 nan 0.000 0.435 89 I N 0.702 121.259 120.570 -0.022 0.000 2.179 89 I HA -0.302 3.868 4.170 0.001 0.000 0.242 89 I C 2.184 178.257 176.117 -0.074 0.000 1.088 89 I CA 1.455 62.738 61.300 -0.029 0.000 1.357 89 I CB -0.130 37.873 38.000 0.005 0.000 1.051 89 I HN 0.118 nan 8.210 nan 0.000 0.409 90 I N -0.266 120.235 120.570 -0.116 0.000 2.226 90 I HA -0.274 3.897 4.170 0.001 0.000 0.245 90 I C 2.548 178.533 176.117 -0.221 0.000 1.100 90 I CA 1.156 62.380 61.300 -0.125 0.000 1.374 90 I CB -0.305 37.614 38.000 -0.135 0.000 1.057 90 I HN 0.126 nan 8.210 nan 0.000 0.413 91 S N 0.076 115.528 115.700 -0.413 0.000 2.368 91 S HA -0.219 4.251 4.470 0.001 0.000 0.225 91 S C 2.193 176.660 174.600 -0.221 0.000 1.030 91 S CA 1.742 59.679 58.200 -0.438 0.000 0.999 91 S CB -0.401 62.340 63.200 -0.765 0.000 0.844 91 S HN 0.567 nan 8.310 nan 0.000 0.459 92 S N 1.316 116.920 115.700 -0.160 0.000 2.370 92 S HA -0.104 4.366 4.470 0.001 0.000 0.226 92 S C 1.909 176.473 174.600 -0.060 0.000 1.033 92 S CA 1.462 59.613 58.200 -0.081 0.000 1.011 92 S CB -0.498 62.675 63.200 -0.046 0.000 0.852 92 S HN 0.288 nan 8.310 nan 0.000 0.457 93 V N 1.904 121.782 119.914 -0.060 0.000 2.343 93 V HA -0.128 3.992 4.120 0.001 0.000 0.247 93 V C 2.664 178.733 176.094 -0.042 0.000 1.051 93 V CA 2.186 64.462 62.300 -0.039 0.000 1.036 93 V CB -0.949 30.858 31.823 -0.026 0.000 0.654 93 V HN 0.629 nan 8.190 nan 0.000 0.451 94 E N 0.251 120.413 120.200 -0.062 0.000 2.058 94 E HA -0.310 4.040 4.350 0.001 0.000 0.194 94 E C 2.248 178.823 176.600 -0.042 0.000 0.997 94 E CA 1.898 58.265 56.400 -0.055 0.000 0.801 94 E CB -0.072 29.579 29.700 -0.082 0.000 0.746 94 E HN 0.735 nan 8.360 nan 0.000 0.450 95 Q N -0.278 119.494 119.800 -0.048 0.000 2.245 95 Q HA -0.112 4.229 4.340 0.001 0.000 0.201 95 Q C 2.209 178.198 176.000 -0.019 0.000 0.955 95 Q CA 1.163 56.949 55.803 -0.029 0.000 0.870 95 Q CB 0.001 28.723 28.738 -0.028 0.000 0.945 95 Q HN -0.024 nan 8.270 nan 0.000 0.461 96 K N 1.025 121.412 120.400 -0.021 0.000 2.026 96 K HA -0.181 4.139 4.320 0.001 0.000 0.208 96 K C 1.824 178.417 176.600 -0.012 0.000 1.048 96 K CA 1.484 57.762 56.287 -0.014 0.000 0.929 96 K CB -0.239 32.252 32.500 -0.015 0.000 0.713 96 K HN 0.322 nan 8.250 nan 0.000 0.439 97 E N -0.569 119.621 120.200 -0.015 0.000 2.017 97 E HA -0.163 4.187 4.350 0.001 0.000 0.193 97 E C 2.413 179.008 176.600 -0.010 0.000 0.997 97 E CA 2.117 58.510 56.400 -0.013 0.000 0.804 97 E CB -1.295 28.396 29.700 -0.015 0.000 0.757 97 E HN 0.895 nan 8.360 nan 0.000 0.448 98 H N 0.179 119.243 119.070 -0.010 0.000 2.400 98 H HA -0.045 4.511 4.556 0.001 0.000 0.295 98 H C 2.292 177.618 175.328 -0.004 0.000 1.118 98 H CA 2.725 58.770 56.048 -0.006 0.000 1.256 98 H CB -0.911 28.847 29.762 -0.006 0.000 1.365 98 H HN 0.395 nan 8.280 nan 0.000 0.502 99 S N -0.113 115.585 115.700 -0.004 0.000 2.558 99 S HA 0.337 4.808 4.470 0.001 0.000 0.217 99 S C 2.186 176.785 174.600 -0.002 0.000 0.975 99 S CA 0.994 59.193 58.200 -0.002 0.000 0.912 99 S CB -0.186 63.013 63.200 -0.002 0.000 0.776 99 S HN 1.083 nan 8.310 nan 0.000 0.526 100 R N 0.238 120.735 120.500 -0.004 0.000 2.507 100 R HA 0.578 4.919 4.340 0.001 0.000 0.298 100 R C 0.918 177.215 176.300 -0.004 0.000 0.999 100 R CA 1.199 57.296 56.100 -0.004 0.000 1.082 100 R CB -2.042 28.255 30.300 -0.005 0.000 1.246 100 R HN 1.448 nan 8.270 nan 0.000 0.553 101 N N -0.990 117.708 118.700 -0.003 0.000 2.693 101 N HA -0.085 4.656 4.740 0.001 0.000 0.249 101 N C 0.556 176.064 175.510 -0.003 0.000 1.119 101 N CA 1.246 54.295 53.050 -0.002 0.000 0.717 101 N CB -2.020 36.466 38.487 -0.001 0.000 1.071 101 N HN 1.778 nan 8.380 nan 0.000 0.555 102 A N -1.406 121.411 122.820 -0.005 0.000 2.798 102 A HA 0.687 5.007 4.320 0.001 0.000 0.316 102 A C 1.351 178.931 177.584 -0.006 0.000 1.506 102 A CA 1.237 53.270 52.037 -0.006 0.000 1.162 102 A CB -0.600 18.395 19.000 -0.008 0.000 1.138 102 A HN 1.512 nan 8.150 nan 0.000 0.532 103 E N 1.123 121.320 120.200 -0.004 0.000 2.076 103 E HA -0.078 4.272 4.350 0.001 0.000 0.190 103 E C 1.627 178.225 176.600 -0.003 0.000 0.979 103 E CA 1.769 58.167 56.400 -0.002 0.000 0.807 103 E CB -1.216 28.484 29.700 -0.000 0.000 0.761 103 E HN 0.906 nan 8.360 nan 0.000 0.454 104 D N 0.333 120.731 120.400 -0.005 0.000 2.149 104 D HA 0.122 4.762 4.640 0.001 0.000 0.198 104 D C 2.299 178.594 176.300 -0.009 0.000 0.990 104 D CA 2.655 56.651 54.000 -0.006 0.000 0.839 104 D CB -0.542 40.254 40.800 -0.008 0.000 0.948 104 D HN 0.716 nan 8.370 nan 0.000 0.460 105 A N -0.211 122.602 122.820 -0.012 0.000 1.930 105 A HA 0.353 4.673 4.320 0.001 0.000 0.215 105 A C 2.844 180.420 177.584 -0.014 0.000 1.176 105 A CA 2.166 54.193 52.037 -0.016 0.000 0.632 105 A CB -0.774 18.215 19.000 -0.018 0.000 0.819 105 A HN 0.746 nan 8.150 nan 0.000 0.445 106 S N 0.273 115.967 115.700 -0.010 0.000 2.365 106 S HA -0.179 4.291 4.470 0.001 0.000 0.225 106 S C 2.210 176.809 174.600 -0.002 0.000 1.039 106 S CA 3.146 61.341 58.200 -0.008 0.000 1.033 106 S CB -0.740 62.456 63.200 -0.006 0.000 0.887 106 S HN 0.803 nan 8.310 nan 0.000 0.447 107 K N 0.719 121.120 120.400 0.001 0.000 2.097 107 K HA 0.113 4.433 4.320 0.001 0.000 0.206 107 K C 2.143 178.750 176.600 0.012 0.000 1.049 107 K CA 1.740 58.032 56.287 0.009 0.000 0.933 107 K CB -0.936 31.569 32.500 0.008 0.000 0.717 107 K HN 0.687 nan 8.250 nan 0.000 0.442 108 M N -0.051 119.550 119.600 0.001 0.000 2.086 108 M HA -0.143 4.337 4.480 0.001 0.000 0.261 108 M C 2.628 178.939 176.300 0.018 0.000 1.067 108 M CA 1.547 56.844 55.300 -0.005 0.000 1.116 108 M CB -0.588 31.991 32.600 -0.034 0.000 1.348 108 M HN 0.499 nan 8.290 nan 0.000 0.407 109 C N 0.362 119.671 119.300 0.015 0.000 2.413 109 C HA -0.126 4.335 4.460 0.001 0.000 0.276 109 C C 2.913 177.936 174.990 0.055 0.000 1.236 109 C CA 1.156 60.199 59.018 0.041 0.000 1.735 109 C CB -1.872 25.868 27.740 -0.000 0.000 2.031 109 C HN 0.763 nan 8.230 nan 0.000 0.474 110 G N 0.563 109.379 108.800 0.027 0.000 2.446 110 G HA2 -0.191 3.769 3.960 0.001 0.000 0.217 110 G HA3 -0.191 3.769 3.960 0.001 0.000 0.217 110 G C 1.925 176.861 174.900 0.060 0.000 1.168 110 G CA 1.835 46.953 45.100 0.030 0.000 0.771 110 G HN 0.647 nan 8.290 nan 0.000 0.551 111 K N -0.244 120.199 120.400 0.072 0.000 2.097 111 K HA -0.082 4.238 4.320 0.001 0.000 0.206 111 K C 2.256 178.943 176.600 0.146 0.000 1.049 111 K CA 1.578 57.918 56.287 0.089 0.000 0.933 111 K CB -0.904 31.638 32.500 0.070 0.000 0.717 111 K HN 0.444 nan 8.250 nan 0.000 0.442 112 Y N 0.812 121.104 120.300 -0.013 0.000 2.286 112 Y HA 0.018 4.568 4.550 0.001 0.000 0.293 112 Y C 2.532 178.421 175.900 -0.018 0.000 1.124 112 Y CA 1.130 59.220 58.100 -0.017 0.000 1.178 112 Y CB -0.140 38.303 38.460 -0.028 0.000 1.010 112 Y HN 0.317 nan 8.280 nan 0.000 0.536 113 R N -0.624 119.875 120.500 -0.001 0.000 2.073 113 R HA -0.136 4.204 4.340 0.001 0.000 0.234 113 R C 2.260 178.559 176.300 -0.002 0.000 1.134 113 R CA 1.760 57.805 56.100 -0.092 0.000 0.952 113 R CB -0.397 29.820 30.300 -0.139 0.000 0.850 113 R HN 0.222 nan 8.270 nan 0.000 0.433 114 S N 0.988 116.713 115.700 0.042 0.000 2.374 114 S HA -0.212 4.259 4.470 0.001 0.000 0.227 114 S C 1.729 176.335 174.600 0.009 0.000 1.037 114 S CA 1.803 60.037 58.200 0.056 0.000 1.024 114 S CB -0.260 62.983 63.200 0.071 0.000 0.861 114 S HN 0.432 nan 8.310 nan 0.000 0.456 115 K N 1.107 121.503 120.400 -0.007 0.000 2.097 115 K HA -0.060 4.260 4.320 0.001 0.000 0.206 115 K C 1.819 178.363 176.600 -0.093 0.000 1.049 115 K CA 1.191 57.461 56.287 -0.028 0.000 0.933 115 K CB -0.152 32.356 32.500 0.013 0.000 0.717 115 K HN 0.197 nan 8.250 nan 0.000 0.442 116 V N 1.768 121.590 119.914 -0.153 0.000 2.453 116 V HA -0.166 3.954 4.120 0.001 0.000 0.247 116 V C 1.911 177.893 176.094 -0.187 0.000 1.048 116 V CA 1.772 63.975 62.300 -0.161 0.000 1.049 116 V CB -0.369 31.353 31.823 -0.167 0.000 0.672 116 V HN 0.382 nan 8.190 nan 0.000 0.457 117 E N 0.548 120.622 120.200 -0.210 0.000 2.085 117 E HA -0.220 4.130 4.350 0.001 0.000 0.194 117 E C 2.358 178.801 176.600 -0.262 0.000 0.994 117 E CA 1.350 57.454 56.400 -0.493 0.000 0.801 117 E CB -0.350 29.173 29.700 -0.296 0.000 0.743 117 E HN 0.603 nan 8.360 nan 0.000 0.453 118 A N 1.544 124.309 122.820 -0.091 0.000 1.908 118 A HA -0.280 4.040 4.320 0.001 0.000 0.218 118 A C 1.947 179.517 177.584 -0.024 0.000 1.181 118 A CA 1.702 53.728 52.037 -0.018 0.000 0.627 118 A CB -0.473 18.530 19.000 0.004 0.000 0.818 118 A HN 0.198 nan 8.150 nan 0.000 0.445 119 E N -0.607 119.558 120.200 -0.057 0.000 2.051 119 E HA -0.174 4.176 4.350 0.001 0.000 0.192 119 E C 1.903 178.486 176.600 -0.029 0.000 0.991 119 E CA 1.058 57.434 56.400 -0.040 0.000 0.799 119 E CB -0.266 29.401 29.700 -0.054 0.000 0.748 119 E HN 0.386 nan 8.360 nan 0.000 0.449 120 L N 1.010 122.171 121.223 -0.103 0.000 2.012 120 L HA -0.181 4.160 4.340 0.001 0.000 0.210 120 L C 2.430 179.377 176.870 0.127 0.000 1.073 120 L CA 1.850 56.658 54.840 -0.054 0.000 0.748 120 L CB -1.484 40.359 42.059 -0.360 0.000 0.891 120 L HN 0.167 nan 8.230 nan 0.000 0.431 121 T N -0.595 114.048 114.554 0.147 0.000 2.684 121 T HA -0.187 4.163 4.350 0.001 0.000 0.267 121 T C 1.502 176.284 174.700 0.138 0.000 1.036 121 T CA 1.576 63.814 62.100 0.230 0.000 1.148 121 T CB -0.236 68.764 68.868 0.220 0.000 0.863 121 T HN 0.286 nan 8.240 nan 0.000 0.436 122 D N 0.931 121.385 120.400 0.090 0.000 2.092 122 D HA -0.053 4.587 4.640 0.001 0.000 0.193 122 D C 2.050 178.402 176.300 0.087 0.000 0.994 122 D CA 0.956 54.998 54.000 0.071 0.000 0.828 122 D CB -0.465 40.363 40.800 0.047 0.000 0.963 122 D HN 0.373 nan 8.370 nan 0.000 0.450 123 I N 0.229 120.862 120.570 0.106 0.000 2.252 123 I HA -0.256 3.915 4.170 0.001 0.000 0.245 123 I C 2.418 178.638 176.117 0.172 0.000 1.102 123 I CA 0.626 62.020 61.300 0.156 0.000 1.385 123 I CB -0.201 37.885 38.000 0.144 0.000 1.064 123 I HN 0.077 nan 8.210 nan 0.000 0.414 124 C N 0.772 120.186 119.300 0.189 0.000 2.425 124 C HA -0.116 4.344 4.460 0.001 0.000 0.277 124 C C 2.637 177.635 174.990 0.012 0.000 1.280 124 C CA 0.779 59.899 59.018 0.171 0.000 1.744 124 C CB -1.383 26.530 27.740 0.288 0.000 1.989 124 C HN 0.543 nan 8.230 nan 0.000 0.491 125 N N 0.967 119.689 118.700 0.037 0.000 2.188 125 N HA -0.113 4.628 4.740 0.001 0.000 0.184 125 N C 1.382 176.863 175.510 -0.049 0.000 1.018 125 N CA 1.373 54.419 53.050 -0.005 0.000 0.858 125 N CB -0.610 37.895 38.487 0.030 0.000 0.989 125 N HN 0.559 nan 8.380 nan 0.000 0.426 126 D N 0.905 121.289 120.400 -0.027 0.000 2.092 126 D HA -0.123 4.518 4.640 0.001 0.000 0.193 126 D C 1.874 178.059 176.300 -0.191 0.000 0.994 126 D CA 0.633 54.609 54.000 -0.041 0.000 0.828 126 D CB -0.233 40.611 40.800 0.073 0.000 0.963 126 D HN 0.140 nan 8.370 nan 0.000 0.450 127 I N 0.045 120.384 120.570 -0.386 0.000 2.315 127 I HA -0.114 4.056 4.170 0.001 0.000 0.248 127 I C 2.168 178.014 176.117 -0.451 0.000 1.117 127 I CA 0.987 61.864 61.300 -0.705 0.000 1.404 127 I CB -0.276 36.925 38.000 -1.332 0.000 1.071 127 I HN 0.093 nan 8.210 nan 0.000 0.419 128 L N -0.334 120.685 121.223 -0.340 0.000 2.083 128 L HA -0.207 4.133 4.340 0.001 0.000 0.209 128 L C 2.403 179.171 176.870 -0.171 0.000 1.083 128 L CA 1.782 56.465 54.840 -0.261 0.000 0.752 128 L CB -1.081 40.810 42.059 -0.281 0.000 0.899 128 L HN 0.201 nan 8.230 nan 0.000 0.433 129 T N -0.411 114.065 114.554 -0.130 0.000 2.684 129 T HA -0.266 4.084 4.350 0.001 0.000 0.267 129 T C 1.913 176.571 174.700 -0.069 0.000 1.036 129 T CA 1.628 63.681 62.100 -0.079 0.000 1.148 129 T CB -0.208 68.632 68.868 -0.046 0.000 0.863 129 T HN 0.227 nan 8.240 nan 0.000 0.436 130 M N 0.145 119.689 119.600 -0.093 0.000 2.159 130 M HA -0.003 4.478 4.480 0.001 0.000 0.263 130 M C 2.079 178.319 176.300 -0.101 0.000 1.063 130 M CA 1.405 56.679 55.300 -0.043 0.000 1.110 130 M CB -0.429 32.079 32.600 -0.153 0.000 1.374 130 M HN 0.200 nan 8.290 nan 0.000 0.411 131 L N -0.360 120.755 121.223 -0.179 0.000 2.027 131 L HA -0.234 4.106 4.340 0.001 0.000 0.206 131 L C 1.978 178.749 176.870 -0.164 0.000 1.074 131 L CA 1.054 55.773 54.840 -0.202 0.000 0.745 131 L CB -0.764 41.190 42.059 -0.175 0.000 0.898 131 L HN 0.236 nan 8.230 nan 0.000 0.433 132 D N 0.373 120.701 120.400 -0.120 0.000 2.097 132 D HA -0.165 4.476 4.640 0.001 0.000 0.195 132 D C 2.422 178.643 176.300 -0.131 0.000 0.989 132 D CA 1.938 55.882 54.000 -0.094 0.000 0.827 132 D CB -0.113 40.652 40.800 -0.059 0.000 0.966 132 D HN 0.304 nan 8.370 nan 0.000 0.456 133 K N 0.104 120.403 120.400 -0.168 0.000 2.166 133 K HA -0.001 4.320 4.320 0.001 0.000 0.201 133 K C 1.814 178.154 176.600 -0.433 0.000 1.052 133 K CA 1.168 57.270 56.287 -0.309 0.000 0.969 133 K CB -0.663 31.602 32.500 -0.392 0.000 0.761 133 K HN 0.365 nan 8.250 nan 0.000 0.459 134 H N -1.372 117.609 119.070 -0.149 0.000 2.408 134 H HA 0.380 4.936 4.556 0.001 0.000 0.271 134 H C 2.034 177.215 175.328 -0.244 0.000 0.957 134 H CA 0.464 56.413 56.048 -0.165 0.000 1.170 134 H CB 0.578 30.251 29.762 -0.148 0.000 1.458 134 H HN 0.113 nan 8.280 nan 0.000 0.491 135 L N 0.040 121.120 121.223 -0.239 0.000 2.071 135 L HA 0.023 4.363 4.340 0.001 0.000 0.201 135 L C 1.935 178.476 176.870 -0.548 0.000 1.076 135 L CA 0.906 55.401 54.840 -0.576 0.000 0.755 135 L CB -0.254 41.229 42.059 -0.960 0.000 0.915 135 L HN 0.197 nan 8.230 nan 0.000 0.445 136 I N 0.239 120.563 120.570 -0.410 0.000 2.208 136 I HA -0.200 3.971 4.170 0.001 0.000 0.245 136 I C -0.265 175.711 176.117 -0.235 0.000 1.097 136 I CA 1.393 62.481 61.300 -0.352 0.000 1.363 136 I CB -1.324 36.466 38.000 -0.349 0.000 1.051 136 I HN 0.241 nan 8.210 nan 0.000 0.413 137 P HA -0.127 nan 4.420 nan 0.000 0.218 137 P C 1.433 178.682 177.300 -0.085 0.000 1.149 137 P CA 1.500 64.534 63.100 -0.109 0.000 0.817 137 P CB -0.252 31.387 31.700 -0.102 0.000 0.785 138 T N -4.167 110.329 114.554 -0.096 0.000 3.107 138 T HA 0.396 4.746 4.350 0.001 0.000 0.249 138 T C 0.811 175.496 174.700 -0.025 0.000 1.096 138 T CA -0.261 61.806 62.100 -0.054 0.000 1.012 138 T CB -0.516 68.324 68.868 -0.047 0.000 0.977 138 T HN 0.011 nan 8.240 nan 0.000 0.527 139 A N 0.989 123.795 122.820 -0.023 0.000 2.328 139 A HA 0.602 4.922 4.320 0.001 0.000 0.284 139 A C 1.185 178.787 177.584 0.031 0.000 1.160 139 A CA -0.495 51.572 52.037 0.049 0.000 0.818 139 A CB 0.621 19.711 19.000 0.149 0.000 1.087 139 A HN 0.322 nan 8.150 nan 0.000 0.504 140 T N 1.414 115.991 114.554 0.038 0.000 2.914 140 T HA 0.052 4.402 4.350 0.001 0.000 0.240 140 T C 1.336 176.054 174.700 0.030 0.000 1.025 140 T CA 1.043 63.160 62.100 0.028 0.000 1.198 140 T CB -0.480 68.401 68.868 0.022 0.000 0.892 140 T HN 0.950 nan 8.240 nan 0.000 0.417 141 S N 2.328 118.044 115.700 0.026 0.000 2.579 141 S HA 0.142 4.612 4.470 0.001 0.000 0.275 141 S C -1.970 172.643 174.600 0.022 0.000 1.345 141 S CA -1.041 57.171 58.200 0.020 0.000 1.031 141 S CB 0.704 63.911 63.200 0.012 0.000 0.892 141 S HN -0.012 nan 8.310 nan 0.000 0.529 142 P HA -0.131 nan 4.420 nan 0.000 0.216 142 P C 0.770 178.066 177.300 -0.006 0.000 1.157 142 P CA 1.619 64.725 63.100 0.011 0.000 0.880 142 P CB -0.176 31.518 31.700 -0.010 0.000 0.791 143 D N -0.951 119.431 120.400 -0.030 0.000 2.177 143 D HA -0.179 4.461 4.640 0.001 0.000 0.189 143 D C 2.045 178.339 176.300 -0.011 0.000 1.002 143 D CA 2.110 56.093 54.000 -0.028 0.000 0.845 143 D CB -0.702 40.092 40.800 -0.011 0.000 0.960 143 D HN 0.084 nan 8.370 nan 0.000 0.447 144 S N -0.205 115.474 115.700 -0.034 0.000 2.356 144 S HA -0.140 4.330 4.470 0.001 0.000 0.223 144 S C 1.766 176.364 174.600 -0.003 0.000 1.032 144 S CA 1.044 59.193 58.200 -0.085 0.000 1.005 144 S CB -0.198 63.017 63.200 0.024 0.000 0.867 144 S HN 0.213 nan 8.310 nan 0.000 0.449 145 K N 0.928 121.354 120.400 0.044 0.000 2.032 145 K HA -0.057 4.263 4.320 0.001 0.000 0.209 145 K C 2.080 178.744 176.600 0.106 0.000 1.048 145 K CA 1.344 57.641 56.287 0.015 0.000 0.927 145 K CB -0.555 31.988 32.500 0.073 0.000 0.712 145 K HN 0.138 nan 8.250 nan 0.000 0.441 146 V N 0.985 120.987 119.914 0.147 0.000 2.332 146 V HA -0.253 3.868 4.120 0.001 0.000 0.248 146 V C 1.961 178.129 176.094 0.124 0.000 1.055 146 V CA 1.763 64.164 62.300 0.169 0.000 1.038 146 V CB -0.533 31.348 31.823 0.095 0.000 0.651 146 V HN 0.230 nan 8.190 nan 0.000 0.450 147 F N 0.004 119.896 119.950 -0.097 0.000 2.095 147 F HA -0.233 4.294 4.527 0.001 0.000 0.298 147 F C 2.267 177.975 175.800 -0.153 0.000 1.104 147 F CA 1.913 59.800 58.000 -0.188 0.000 1.232 147 F CB -0.277 38.479 39.000 -0.407 0.000 0.987 147 F HN 0.154 nan 8.300 nan 0.000 0.475 148 Y N -1.359 119.001 120.300 0.100 0.000 2.337 148 Y HA -0.093 4.458 4.550 0.001 0.000 0.293 148 Y C 2.147 177.976 175.900 -0.119 0.000 1.123 148 Y CA 0.731 58.800 58.100 -0.053 0.000 1.201 148 Y CB -1.134 37.270 38.460 -0.093 0.000 1.011 148 Y HN 0.023 nan 8.280 nan 0.000 0.545 149 F N 0.652 120.644 119.950 0.070 0.000 2.171 149 F HA -0.161 4.366 4.527 0.001 0.000 0.300 149 F C 2.384 178.083 175.800 -0.168 0.000 1.090 149 F CA 1.240 59.208 58.000 -0.054 0.000 1.293 149 F CB -0.598 38.373 39.000 -0.049 0.000 1.013 149 F HN -0.016 nan 8.300 nan 0.000 0.486 150 K N -0.091 120.337 120.400 0.046 0.000 2.057 150 K HA -0.191 4.129 4.320 0.001 0.000 0.206 150 K C 2.218 178.725 176.600 -0.156 0.000 1.050 150 K CA 1.250 57.508 56.287 -0.050 0.000 0.935 150 K CB -0.210 32.269 32.500 -0.036 0.000 0.715 150 K HN 0.191 nan 8.250 nan 0.000 0.439 151 M N 0.983 120.485 119.600 -0.162 0.000 2.065 151 M HA -0.243 4.237 4.480 0.001 0.000 0.259 151 M C 2.378 178.662 176.300 -0.028 0.000 1.069 151 M CA 1.854 57.117 55.300 -0.062 0.000 1.110 151 M CB -0.275 32.331 32.600 0.009 0.000 1.328 151 M HN 0.135 nan 8.290 nan 0.000 0.405 152 K N -0.171 120.181 120.400 -0.081 0.000 2.044 152 K HA -0.186 4.134 4.320 0.001 0.000 0.210 152 K C 1.860 178.282 176.600 -0.296 0.000 1.049 152 K CA 1.860 58.056 56.287 -0.151 0.000 0.927 152 K CB -0.511 31.958 32.500 -0.051 0.000 0.713 152 K HN 0.443 nan 8.250 nan 0.000 0.443 153 G N 0.994 109.463 108.800 -0.551 0.000 2.440 153 G HA2 -0.276 3.684 3.960 0.001 0.000 0.218 153 G HA3 -0.276 3.684 3.960 0.001 0.000 0.218 153 G C 1.064 175.459 174.900 -0.842 0.000 1.154 153 G CA 1.209 45.605 45.100 -1.172 0.000 0.767 153 G HN 0.367 nan 8.290 nan 0.000 0.552 154 D N -0.071 119.980 120.400 -0.583 0.000 2.104 154 D HA -0.106 4.535 4.640 0.001 0.000 0.194 154 D C 2.139 177.749 176.300 -1.149 0.000 0.994 154 D CA 0.976 54.552 54.000 -0.707 0.000 0.830 154 D CB -0.311 40.107 40.800 -0.636 0.000 0.959 154 D HN 0.466 nan 8.370 nan 0.000 0.452 155 Y N 0.332 120.277 120.300 -0.592 0.000 2.286 155 Y HA -0.099 4.451 4.550 0.001 0.000 0.293 155 Y C 2.610 178.318 175.900 -0.321 0.000 1.124 155 Y CA 0.856 58.710 58.100 -0.410 0.000 1.178 155 Y CB -0.235 38.094 38.460 -0.219 0.000 1.010 155 Y HN 0.157 nan 8.280 nan 0.000 0.536 156 H N -0.080 118.888 119.070 -0.170 0.000 2.352 156 H HA -0.177 4.379 4.556 0.001 0.000 0.299 156 H C 2.337 177.568 175.328 -0.161 0.000 1.097 156 H CA 1.758 57.705 56.048 -0.168 0.000 1.311 156 H CB -0.261 29.361 29.762 -0.234 0.000 1.377 156 H HN 0.297 nan 8.280 nan 0.000 0.504 157 R N 0.308 120.732 120.500 -0.127 0.000 2.083 157 R HA -0.176 4.165 4.340 0.001 0.000 0.237 157 R C 1.987 178.293 176.300 0.010 0.000 1.137 157 R CA 1.485 57.584 56.100 -0.001 0.000 0.951 157 R CB -0.242 30.078 30.300 0.035 0.000 0.851 157 R HN 0.192 nan 8.270 nan 0.000 0.434 158 Y N 0.701 120.991 120.300 -0.017 0.000 2.165 158 Y HA -0.166 4.384 4.550 0.001 0.000 0.286 158 Y C 2.187 178.063 175.900 -0.039 0.000 1.155 158 Y CA 0.801 58.892 58.100 -0.014 0.000 1.164 158 Y CB -0.616 37.838 38.460 -0.011 0.000 0.978 158 Y HN 0.076 nan 8.280 nan 0.000 0.513 159 I N -0.797 119.799 120.570 0.044 0.000 2.226 159 I HA -0.296 3.874 4.170 0.001 0.000 0.245 159 I C 2.258 178.009 176.117 -0.610 0.000 1.100 159 I CA 1.464 62.578 61.300 -0.310 0.000 1.374 159 I CB -0.446 37.483 38.000 -0.118 0.000 1.057 159 I HN 0.056 nan 8.210 nan 0.000 0.413 160 S N 0.130 115.685 115.700 -0.242 0.000 2.419 160 S HA -0.198 4.273 4.470 0.001 0.000 0.235 160 S C 1.787 176.260 174.600 -0.213 0.000 1.019 160 S CA 1.138 59.229 58.200 -0.182 0.000 0.982 160 S CB -0.296 62.913 63.200 0.014 0.000 0.789 160 S HN 0.476 nan 8.310 nan 0.000 0.490 161 E N 0.343 120.422 120.200 -0.201 0.000 2.077 161 E HA -0.141 4.210 4.350 0.001 0.000 0.193 161 E C 1.622 178.038 176.600 -0.308 0.000 0.989 161 E CA 1.442 57.737 56.400 -0.174 0.000 0.800 161 E CB -0.135 29.494 29.700 -0.117 0.000 0.746 161 E HN 0.855 nan 8.360 nan 0.000 0.452 162 F N -0.877 118.815 119.950 -0.430 0.000 2.731 162 F HA 0.387 4.914 4.527 0.001 0.000 0.298 162 F C 0.854 176.640 175.800 -0.023 0.000 1.106 162 F CA -0.598 57.180 58.000 -0.371 0.000 1.329 162 F CB 0.017 38.594 39.000 -0.704 0.000 1.100 162 F HN -0.327 nan 8.300 nan 0.000 0.592 163 S N 0.833 116.223 115.700 -0.515 0.000 2.589 163 S HA 0.457 4.927 4.470 0.001 0.000 0.265 163 S C 0.167 174.734 174.600 -0.054 0.000 1.342 163 S CA -0.056 57.990 58.200 -0.257 0.000 1.005 163 S CB 0.999 63.994 63.200 -0.342 0.000 0.909 163 S HN 0.340 nan 8.310 nan 0.000 0.555 164 T N 0.260 114.810 114.554 -0.006 0.000 2.901 164 T HA 0.667 5.018 4.350 0.001 0.000 0.293 164 T C 0.851 175.555 174.700 0.007 0.000 1.084 164 T CA 0.066 62.181 62.100 0.026 0.000 1.008 164 T CB 1.255 70.164 68.868 0.069 0.000 1.170 164 T HN 0.931 nan 8.240 nan 0.000 0.509 165 G N 2.071 110.876 108.800 0.009 0.000 2.665 165 G HA2 -0.359 3.601 3.960 0.001 0.000 0.326 165 G HA3 -0.359 3.601 3.960 0.001 0.000 0.326 165 G C 0.486 175.382 174.900 -0.007 0.000 1.231 165 G CA 1.325 46.428 45.100 0.004 0.000 0.992 165 G HN 0.772 nan 8.290 nan 0.000 0.549 166 D N 0.357 120.754 120.400 -0.005 0.000 2.271 166 D HA 0.246 4.887 4.640 0.001 0.000 0.206 166 D C 2.674 178.962 176.300 -0.020 0.000 0.967 166 D CA 1.260 55.253 54.000 -0.012 0.000 0.867 166 D CB -0.176 40.620 40.800 -0.006 0.000 0.960 166 D HN 0.311 nan 8.370 nan 0.000 0.509 167 S N 0.482 116.170 115.700 -0.019 0.000 2.359 167 S HA -0.222 4.249 4.470 0.001 0.000 0.223 167 S C 1.784 176.349 174.600 -0.059 0.000 1.039 167 S CA 1.156 59.335 58.200 -0.036 0.000 1.042 167 S CB -0.186 62.991 63.200 -0.039 0.000 0.915 167 S HN 0.228 nan 8.310 nan 0.000 0.439 168 K N 0.816 121.179 120.400 -0.061 0.000 2.009 168 K HA -0.234 4.086 4.320 0.001 0.000 0.210 168 K C 2.448 179.021 176.600 -0.044 0.000 1.049 168 K CA 1.763 58.009 56.287 -0.068 0.000 0.929 168 K CB -0.241 32.225 32.500 -0.056 0.000 0.714 168 K HN 0.264 nan 8.250 nan 0.000 0.440 169 Q N 0.393 120.172 119.800 -0.035 0.000 2.077 169 Q HA -0.173 4.168 4.340 0.001 0.000 0.206 169 Q C 2.052 178.031 176.000 -0.035 0.000 0.989 169 Q CA 2.357 58.142 55.803 -0.029 0.000 0.853 169 Q CB -0.410 28.312 28.738 -0.025 0.000 0.907 169 Q HN 0.206 nan 8.270 nan 0.000 0.418 170 S N -0.662 115.010 115.700 -0.046 0.000 2.343 170 S HA -0.174 4.297 4.470 0.001 0.000 0.219 170 S C 1.972 176.506 174.600 -0.110 0.000 1.033 170 S CA 1.605 59.765 58.200 -0.067 0.000 1.014 170 S CB -0.545 62.623 63.200 -0.053 0.000 0.915 170 S HN 0.740 nan 8.310 nan 0.000 0.435 171 S N 1.749 117.398 115.700 -0.085 0.000 2.383 171 S HA 0.060 4.530 4.470 0.001 0.000 0.227 171 S C 2.088 176.645 174.600 -0.072 0.000 1.026 171 S CA 1.059 59.202 58.200 -0.096 0.000 0.981 171 S CB -0.833 62.358 63.200 -0.017 0.000 0.818 171 S HN 0.580 nan 8.310 nan 0.000 0.472 172 A N 1.960 124.793 122.820 0.021 0.000 1.917 172 A HA -0.037 4.283 4.320 0.001 0.000 0.219 172 A C 2.375 180.035 177.584 0.128 0.000 1.182 172 A CA 2.396 54.539 52.037 0.177 0.000 0.633 172 A CB -1.667 17.394 19.000 0.103 0.000 0.819 172 A HN 0.827 nan 8.150 nan 0.000 0.448 173 E N -0.057 120.134 120.200 -0.016 0.000 2.106 173 E HA -0.196 4.154 4.350 0.001 0.000 0.192 173 E C 1.635 178.129 176.600 -0.177 0.000 0.984 173 E CA 1.415 57.780 56.400 -0.057 0.000 0.806 173 E CB -0.716 28.947 29.700 -0.062 0.000 0.750 173 E HN 0.692 nan 8.360 nan 0.000 0.458 174 D N -0.153 120.044 120.400 -0.338 0.000 2.183 174 D HA 0.068 4.708 4.640 0.001 0.000 0.203 174 D C 2.254 178.223 176.300 -0.551 0.000 0.969 174 D CA 1.286 54.951 54.000 -0.558 0.000 0.842 174 D CB -0.170 39.973 40.800 -1.094 0.000 0.957 174 D HN 0.460 nan 8.370 nan 0.000 0.484 175 A N 1.186 123.699 122.820 -0.511 0.000 1.873 175 A HA -0.133 4.187 4.320 0.001 0.000 0.215 175 A C 2.161 179.267 177.584 -0.797 0.000 1.186 175 A CA 0.900 52.530 52.037 -0.678 0.000 0.616 175 A CB -0.722 17.836 19.000 -0.737 0.000 0.823 175 A HN 0.225 nan 8.150 nan 0.000 0.442 176 L N 0.177 121.108 121.223 -0.488 0.000 2.012 176 L HA -0.185 4.155 4.340 0.001 0.000 0.210 176 L C 2.284 179.023 176.870 -0.218 0.000 1.073 176 L CA 2.788 57.519 54.840 -0.182 0.000 0.748 176 L CB -0.618 41.524 42.059 0.138 0.000 0.891 176 L HN 0.469 nan 8.230 nan 0.000 0.431 177 K N -0.784 119.478 120.400 -0.230 0.000 2.026 177 K HA -0.162 4.159 4.320 0.001 0.000 0.208 177 K C 2.003 178.405 176.600 -0.330 0.000 1.048 177 K CA 1.348 57.502 56.287 -0.223 0.000 0.929 177 K CB -0.285 32.102 32.500 -0.189 0.000 0.713 177 K HN 0.465 nan 8.250 nan 0.000 0.439 178 A N 0.367 122.952 122.820 -0.392 0.000 1.908 178 A HA -0.179 4.141 4.320 0.001 0.000 0.218 178 A C 1.901 179.181 177.584 -0.508 0.000 1.181 178 A CA 1.407 53.193 52.037 -0.417 0.000 0.627 178 A CB -0.809 17.969 19.000 -0.371 0.000 0.818 178 A HN 0.420 nan 8.150 nan 0.000 0.445 179 Y N 0.046 119.974 120.300 -0.620 0.000 2.263 179 Y HA -0.074 4.476 4.550 0.001 0.000 0.292 179 Y C 2.378 177.810 175.900 -0.780 0.000 1.130 179 Y CA 1.215 58.756 58.100 -0.932 0.000 1.179 179 Y CB -0.318 37.018 38.460 -1.874 0.000 0.998 179 Y HN 0.258 nan 8.280 nan 0.000 0.532 180 K N 0.018 120.187 120.400 -0.384 0.000 2.002 180 K HA -0.184 4.136 4.320 0.001 0.000 0.209 180 K C 1.606 178.088 176.600 -0.198 0.000 1.048 180 K CA 1.720 57.935 56.287 -0.121 0.000 0.930 180 K CB -0.266 32.202 32.500 -0.053 0.000 0.714 180 K HN 0.233 nan 8.250 nan 0.000 0.438 181 D N 0.502 120.665 120.400 -0.395 0.000 2.123 181 D HA -0.152 4.488 4.640 0.001 0.000 0.196 181 D C 1.748 177.721 176.300 -0.546 0.000 0.992 181 D CA 1.331 54.939 54.000 -0.653 0.000 0.833 181 D CB -0.157 39.863 40.800 -1.300 0.000 0.954 181 D HN 0.229 nan 8.370 nan 0.000 0.455 182 A N 0.146 122.745 122.820 -0.368 0.000 1.929 182 A HA -0.113 4.207 4.320 0.001 0.000 0.216 182 A C 2.345 179.936 177.584 0.011 0.000 1.176 182 A CA 1.757 53.773 52.037 -0.034 0.000 0.628 182 A CB -0.696 18.340 19.000 0.059 0.000 0.816 182 A HN 0.192 nan 8.150 nan 0.000 0.444 183 T N -0.300 114.250 114.554 -0.005 0.000 2.777 183 T HA -0.112 4.239 4.350 0.001 0.000 0.266 183 T C 1.888 176.622 174.700 0.056 0.000 1.040 183 T CA 1.489 63.642 62.100 0.089 0.000 1.141 183 T CB -0.421 68.575 68.868 0.214 0.000 0.868 183 T HN 0.139 nan 8.240 nan 0.000 0.444 184 V N 1.399 121.318 119.914 0.009 0.000 2.252 184 V HA -0.184 3.937 4.120 0.001 0.000 0.249 184 V C 2.669 178.778 176.094 0.026 0.000 1.056 184 V CA 1.604 63.907 62.300 0.006 0.000 1.022 184 V CB -0.701 31.101 31.823 -0.035 0.000 0.641 184 V HN 0.330 nan 8.190 nan 0.000 0.445 185 V N 0.143 120.080 119.914 0.040 0.000 2.358 185 V HA -0.212 3.909 4.120 0.001 0.000 0.246 185 V C 2.679 178.802 176.094 0.049 0.000 1.047 185 V CA 1.766 64.108 62.300 0.070 0.000 1.035 185 V CB -1.216 30.692 31.823 0.142 0.000 0.658 185 V HN 0.563 nan 8.190 nan 0.000 0.452 186 A N 0.453 123.303 122.820 0.050 0.000 2.024 186 A HA -0.254 4.067 4.320 0.001 0.000 0.220 186 A C 2.432 180.032 177.584 0.026 0.000 1.164 186 A CA 2.463 54.519 52.037 0.032 0.000 0.643 186 A CB -0.762 18.273 19.000 0.059 0.000 0.806 186 A HN 0.576 nan 8.150 nan 0.000 0.451 187 K N -0.231 120.191 120.400 0.037 0.000 2.362 187 K HA -0.193 4.128 4.320 0.001 0.000 0.202 187 K C 1.279 177.893 176.600 0.023 0.000 1.045 187 K CA 1.847 58.154 56.287 0.033 0.000 0.936 187 K CB -0.810 31.711 32.500 0.035 0.000 0.747 187 K HN 0.603 nan 8.250 nan 0.000 0.467 188 D N -0.532 119.876 120.400 0.014 0.000 2.340 188 D HA 0.178 4.819 4.640 0.001 0.000 0.220 188 D C -0.007 176.288 176.300 -0.007 0.000 1.039 188 D CA 0.151 54.156 54.000 0.008 0.000 0.866 188 D CB 0.095 40.901 40.800 0.010 0.000 0.913 188 D HN 0.449 nan 8.370 nan 0.000 0.523 189 L N 0.565 121.775 121.223 -0.022 0.000 2.330 189 L HA 0.335 4.676 4.340 0.001 0.000 0.271 189 L C 0.530 177.421 176.870 0.035 0.000 1.013 189 L CA -1.054 53.761 54.840 -0.042 0.000 0.816 189 L CB 1.723 43.660 42.059 -0.203 0.000 1.287 189 L HN -0.326 nan 8.230 nan 0.000 0.435 190 E N 2.251 122.504 120.200 0.089 0.000 2.398 190 E HA 0.056 4.407 4.350 0.001 0.000 0.263 190 E C -1.799 174.859 176.600 0.096 0.000 1.046 190 E CA -1.187 55.266 56.400 0.088 0.000 0.908 190 E CB 0.839 30.596 29.700 0.097 0.000 0.963 190 E HN 0.211 nan 8.360 nan 0.000 0.431 191 P HA -0.136 nan 4.420 nan 0.000 0.222 191 P C 0.346 177.683 177.300 0.063 0.000 1.142 191 P CA 1.413 64.548 63.100 0.058 0.000 0.788 191 P CB 0.196 31.914 31.700 0.031 0.000 0.767 192 T N -6.663 107.931 114.554 0.068 0.000 3.069 192 T HA 0.048 4.399 4.350 0.001 0.000 0.252 192 T C 0.490 175.240 174.700 0.084 0.000 1.053 192 T CA -0.326 61.806 62.100 0.054 0.000 0.964 192 T CB -1.108 67.775 68.868 0.026 0.000 1.005 192 T HN 0.148 nan 8.240 nan 0.000 0.532 193 H N 2.991 122.081 119.070 0.033 0.000 3.046 193 H HA 0.169 4.725 4.556 0.001 0.000 0.303 193 H C -1.644 173.713 175.328 0.048 0.000 1.002 193 H CA -1.393 54.679 56.048 0.039 0.000 1.460 193 H CB 0.981 30.769 29.762 0.043 0.000 1.493 193 H HN -0.070 nan 8.280 nan 0.000 0.559 194 P HA -0.237 nan 4.420 nan 0.000 0.216 194 P C 1.641 179.077 177.300 0.227 0.000 1.150 194 P CA 2.250 65.397 63.100 0.077 0.000 0.843 194 P CB -0.007 31.680 31.700 -0.021 0.000 0.787 195 I N -0.497 120.362 120.570 0.482 0.000 2.394 195 I HA -0.123 4.047 4.170 0.001 0.000 0.251 195 I C 2.639 178.887 176.117 0.218 0.000 1.136 195 I CA 1.869 63.377 61.300 0.345 0.000 1.425 195 I CB -1.753 36.448 38.000 0.335 0.000 1.079 195 I HN -0.058 nan 8.210 nan 0.000 0.425 196 R N 0.030 120.664 120.500 0.222 0.000 2.090 196 R HA 0.008 4.349 4.340 0.001 0.000 0.228 196 R C 2.185 178.567 176.300 0.137 0.000 1.110 196 R CA 1.109 57.288 56.100 0.132 0.000 0.973 196 R CB -0.319 30.045 30.300 0.108 0.000 0.869 196 R HN 0.623 nan 8.270 nan 0.000 0.440 197 L N -0.106 121.204 121.223 0.145 0.000 2.056 197 L HA -0.048 4.293 4.340 0.001 0.000 0.207 197 L C 2.575 179.517 176.870 0.120 0.000 1.078 197 L CA 1.453 56.367 54.840 0.123 0.000 0.749 197 L CB -0.696 41.428 42.059 0.108 0.000 0.901 197 L HN 0.458 nan 8.230 nan 0.000 0.433 198 G N 0.058 108.931 108.800 0.121 0.000 2.422 198 G HA2 -0.277 3.683 3.960 0.001 0.000 0.218 198 G HA3 -0.277 3.683 3.960 0.001 0.000 0.218 198 G C 1.571 176.532 174.900 0.102 0.000 1.146 198 G CA 0.715 45.878 45.100 0.104 0.000 0.769 198 G HN 0.222 nan 8.290 nan 0.000 0.547 199 L N 1.465 122.756 121.223 0.113 0.000 2.042 199 L HA 0.099 4.439 4.340 0.001 0.000 0.210 199 L C 2.972 179.925 176.870 0.139 0.000 1.076 199 L CA 2.305 57.216 54.840 0.119 0.000 0.749 199 L CB -0.765 41.374 42.059 0.133 0.000 0.893 199 L HN 0.220 nan 8.230 nan 0.000 0.432 200 A N -0.839 122.073 122.820 0.154 0.000 1.930 200 A HA -0.146 4.174 4.320 0.001 0.000 0.217 200 A C 2.215 179.885 177.584 0.144 0.000 1.175 200 A CA 1.650 53.786 52.037 0.165 0.000 0.627 200 A CB -0.921 18.162 19.000 0.138 0.000 0.815 200 A HN 0.503 nan 8.150 nan 0.000 0.443 201 L N 0.546 121.842 121.223 0.121 0.000 1.955 201 L HA -0.202 4.138 4.340 0.001 0.000 0.213 201 L C 1.904 178.848 176.870 0.124 0.000 1.072 201 L CA 2.578 57.483 54.840 0.109 0.000 0.755 201 L CB -0.783 41.324 42.059 0.081 0.000 0.888 201 L HN 0.342 nan 8.230 nan 0.000 0.432 202 N N -0.950 117.801 118.700 0.084 0.000 2.142 202 N HA -0.200 4.541 4.740 0.001 0.000 0.186 202 N C 1.765 177.222 175.510 -0.088 0.000 1.023 202 N CA 1.277 54.354 53.050 0.044 0.000 0.852 202 N CB -0.640 37.875 38.487 0.047 0.000 0.998 202 N HN 0.334 nan 8.380 nan 0.000 0.424 203 F N 2.199 121.875 119.950 -0.456 0.000 2.126 203 F HA -0.163 4.364 4.527 0.001 0.000 0.299 203 F C 2.439 178.220 175.800 -0.031 0.000 1.096 203 F CA 1.351 58.998 58.000 -0.587 0.000 1.255 203 F CB -0.976 37.807 39.000 -0.361 0.000 0.997 203 F HN 0.092 nan 8.300 nan 0.000 0.479 204 S N -0.625 115.194 115.700 0.198 0.000 2.383 204 S HA -0.109 4.361 4.470 0.001 0.000 0.227 204 S C 2.229 177.010 174.600 0.301 0.000 1.026 204 S CA 1.170 59.499 58.200 0.214 0.000 0.981 204 S CB -1.108 62.261 63.200 0.281 0.000 0.818 204 S HN 0.142 nan 8.310 nan 0.000 0.472 205 V N 1.502 121.636 119.914 0.366 0.000 2.295 205 V HA -0.122 3.999 4.120 0.001 0.000 0.246 205 V C 2.125 178.393 176.094 0.290 0.000 1.049 205 V CA 2.103 64.636 62.300 0.388 0.000 1.024 205 V CB -1.103 30.914 31.823 0.323 0.000 0.648 205 V HN 0.532 nan 8.190 nan 0.000 0.447 206 F N 0.740 120.757 119.950 0.112 0.000 2.063 206 F HA -0.297 4.230 4.527 0.001 0.000 0.298 206 F C 2.540 178.370 175.800 0.051 0.000 1.109 206 F CA 2.345 60.396 58.000 0.086 0.000 1.212 206 F CB -0.690 38.356 39.000 0.077 0.000 0.973 206 F HN 0.266 nan 8.300 nan 0.000 0.480 207 H N -1.884 117.160 119.070 -0.043 0.000 2.352 207 H HA -0.215 4.341 4.556 0.001 0.000 0.299 207 H C 2.135 177.283 175.328 -0.300 0.000 1.097 207 H CA 2.313 58.217 56.048 -0.241 0.000 1.311 207 H CB -0.917 28.731 29.762 -0.189 0.000 1.377 207 H HN 0.457 nan 8.280 nan 0.000 0.504 208 Y N 1.512 121.658 120.300 -0.257 0.000 2.153 208 Y HA -0.125 4.425 4.550 0.001 0.000 0.289 208 Y C 2.466 178.214 175.900 -0.254 0.000 1.127 208 Y CA 1.519 59.368 58.100 -0.418 0.000 1.131 208 Y CB 0.094 38.044 38.460 -0.850 0.000 0.995 208 Y HN 0.135 nan 8.280 nan 0.000 0.505 209 E N -0.742 119.504 120.200 0.076 0.000 2.158 209 E HA -0.106 4.244 4.350 0.001 0.000 0.191 209 E C 1.777 178.327 176.600 -0.084 0.000 0.982 209 E CA 0.944 57.384 56.400 0.066 0.000 0.823 209 E CB 0.184 29.997 29.700 0.189 0.000 0.766 209 E HN 0.405 nan 8.360 nan 0.000 0.468 210 I N 0.224 120.659 120.570 -0.225 0.000 2.681 210 I HA -0.069 4.102 4.170 0.001 0.000 0.247 210 I C 2.179 178.086 176.117 -0.350 0.000 1.091 210 I CA 0.785 61.908 61.300 -0.296 0.000 1.442 210 I CB -0.811 36.916 38.000 -0.454 0.000 1.219 210 I HN 0.098 nan 8.210 nan 0.000 0.451 211 L N 0.409 121.330 121.223 -0.502 0.000 2.395 211 L HA 0.024 4.365 4.340 0.001 0.000 0.218 211 L C 0.695 177.412 176.870 -0.255 0.000 1.130 211 L CA 0.390 55.017 54.840 -0.356 0.000 0.826 211 L CB -0.586 41.252 42.059 -0.368 0.000 0.941 211 L HN 0.512 nan 8.230 nan 0.000 0.451 212 N N 1.767 120.288 118.700 -0.298 0.000 2.714 212 N HA -0.201 4.539 4.740 0.001 0.000 0.253 212 N C -0.453 174.873 175.510 -0.308 0.000 1.024 212 N CA 0.174 53.023 53.050 -0.335 0.000 0.726 212 N CB -0.429 37.911 38.487 -0.244 0.000 0.908 212 N HN 0.511 nan 8.380 nan 0.000 0.542 213 E N 0.179 120.198 120.200 -0.303 0.000 2.916 213 E HA 0.165 4.515 4.350 0.001 0.000 0.217 213 E C -1.685 174.730 176.600 -0.308 0.000 1.100 213 E CA -1.705 54.556 56.400 -0.232 0.000 0.891 213 E CB 1.061 30.701 29.700 -0.099 0.000 1.311 213 E HN 0.339 nan 8.360 nan 0.000 0.421 214 P HA -0.222 nan 4.420 nan 0.000 0.218 214 P C 1.340 178.523 177.300 -0.196 0.000 1.148 214 P CA 0.926 63.812 63.100 -0.355 0.000 0.822 214 P CB 0.335 31.839 31.700 -0.326 0.000 0.784 215 R N 0.317 120.716 120.500 -0.169 0.000 2.066 215 R HA -0.054 4.286 4.340 0.001 0.000 0.232 215 R C 2.165 178.362 176.300 -0.173 0.000 1.131 215 R CA 1.679 57.702 56.100 -0.128 0.000 0.955 215 R CB -0.802 29.435 30.300 -0.106 0.000 0.851 215 R HN 0.074 nan 8.270 nan 0.000 0.432 216 A N 0.481 123.147 122.820 -0.257 0.000 2.014 216 A HA 0.010 4.331 4.320 0.001 0.000 0.218 216 A C 2.256 179.559 177.584 -0.469 0.000 1.163 216 A CA 1.348 53.142 52.037 -0.405 0.000 0.652 216 A CB -0.403 18.248 19.000 -0.582 0.000 0.808 216 A HN 0.505 nan 8.150 nan 0.000 0.449 217 A N 0.368 122.969 122.820 -0.364 0.000 1.855 217 A HA -0.080 4.241 4.320 0.001 0.000 0.215 217 A C 2.085 179.625 177.584 -0.073 0.000 1.191 217 A CA 1.496 53.374 52.037 -0.266 0.000 0.613 217 A CB -0.645 18.069 19.000 -0.477 0.000 0.829 217 A HN 0.460 nan 8.150 nan 0.000 0.442 218 I N -0.164 120.381 120.570 -0.042 0.000 2.127 218 I HA -0.300 3.870 4.170 0.001 0.000 0.241 218 I C 2.133 178.285 176.117 0.059 0.000 1.075 218 I CA 1.896 63.270 61.300 0.124 0.000 1.334 218 I CB -0.538 37.521 38.000 0.099 0.000 1.040 218 I HN 0.270 nan 8.210 nan 0.000 0.405 219 D N 0.339 120.723 120.400 -0.027 0.000 2.104 219 D HA -0.242 4.399 4.640 0.001 0.000 0.194 219 D C 2.121 178.401 176.300 -0.032 0.000 0.994 219 D CA 1.359 55.337 54.000 -0.037 0.000 0.830 219 D CB -0.176 40.574 40.800 -0.084 0.000 0.959 219 D HN 0.272 nan 8.370 nan 0.000 0.452 220 M N 0.150 119.698 119.600 -0.087 0.000 2.086 220 M HA -0.193 4.287 4.480 0.001 0.000 0.261 220 M C 1.985 178.302 176.300 0.029 0.000 1.067 220 M CA 1.998 57.251 55.300 -0.079 0.000 1.116 220 M CB 0.014 32.491 32.600 -0.206 0.000 1.348 220 M HN 0.035 nan 8.290 nan 0.000 0.407 221 A N 0.163 123.037 122.820 0.091 0.000 1.898 221 A HA -0.187 4.133 4.320 0.001 0.000 0.216 221 A C 2.128 179.787 177.584 0.125 0.000 1.181 221 A CA 1.969 54.087 52.037 0.134 0.000 0.620 221 A CB -0.676 18.444 19.000 0.200 0.000 0.819 221 A HN 0.602 nan 8.150 nan 0.000 0.442 222 K N -0.460 119.999 120.400 0.098 0.000 2.026 222 K HA -0.201 4.119 4.320 0.001 0.000 0.208 222 K C 2.147 178.835 176.600 0.147 0.000 1.048 222 K CA 1.736 58.086 56.287 0.105 0.000 0.929 222 K CB -0.151 32.388 32.500 0.065 0.000 0.713 222 K HN 0.658 nan 8.250 nan 0.000 0.439 223 E N -0.147 120.109 120.200 0.094 0.000 2.023 223 E HA -0.230 4.120 4.350 0.001 0.000 0.196 223 E C 1.852 178.511 176.600 0.098 0.000 1.003 223 E CA 1.245 57.692 56.400 0.078 0.000 0.809 223 E CB -0.165 29.559 29.700 0.040 0.000 0.755 223 E HN 0.382 nan 8.360 nan 0.000 0.449 224 A N 0.473 123.358 122.820 0.108 0.000 1.917 224 A HA -0.229 4.092 4.320 0.001 0.000 0.219 224 A C 2.041 179.706 177.584 0.135 0.000 1.182 224 A CA 1.698 53.804 52.037 0.115 0.000 0.633 224 A CB -0.935 18.140 19.000 0.124 0.000 0.819 224 A HN 0.545 nan 8.150 nan 0.000 0.448 225 F N 0.416 120.382 119.950 0.027 0.000 2.163 225 F HA -0.049 4.479 4.527 0.001 0.000 0.297 225 F C 2.202 178.013 175.800 0.019 0.000 1.094 225 F CA 1.941 59.953 58.000 0.020 0.000 1.290 225 F CB -0.177 38.830 39.000 0.010 0.000 1.017 225 F HN 0.325 nan 8.300 nan 0.000 0.483 226 E N 0.046 120.335 120.200 0.148 0.000 2.072 226 E HA -0.228 4.123 4.350 0.001 0.000 0.191 226 E C 2.265 178.843 176.600 -0.038 0.000 0.985 226 E CA 1.597 58.023 56.400 0.044 0.000 0.801 226 E CB -0.221 29.546 29.700 0.112 0.000 0.750 226 E HN 0.463 nan 8.360 nan 0.000 0.452 227 M N 0.228 119.824 119.600 -0.005 0.000 2.149 227 M HA -0.182 4.298 4.480 0.001 0.000 0.261 227 M C 2.375 178.646 176.300 -0.048 0.000 1.064 227 M CA 1.424 56.716 55.300 -0.012 0.000 1.102 227 M CB -0.126 32.484 32.600 0.017 0.000 1.369 227 M HN 0.152 nan 8.290 nan 0.000 0.408 228 A N -0.068 122.697 122.820 -0.093 0.000 1.897 228 A HA -0.118 4.202 4.320 0.001 0.000 0.215 228 A C 2.019 179.496 177.584 -0.178 0.000 1.181 228 A CA 1.156 53.120 52.037 -0.121 0.000 0.620 228 A CB -0.645 18.273 19.000 -0.137 0.000 0.821 228 A HN 0.403 nan 8.150 nan 0.000 0.443 229 I N 0.334 120.727 120.570 -0.295 0.000 2.226 229 I HA -0.231 3.940 4.170 0.001 0.000 0.245 229 I C 2.097 178.132 176.117 -0.137 0.000 1.100 229 I CA 1.680 62.817 61.300 -0.273 0.000 1.374 229 I CB -0.282 37.494 38.000 -0.373 0.000 1.057 229 I HN 0.432 nan 8.210 nan 0.000 0.413 230 E N -0.430 119.711 120.200 -0.099 0.000 2.393 230 E HA -0.273 4.077 4.350 0.001 0.000 0.201 230 E C 1.407 177.979 176.600 -0.047 0.000 1.025 230 E CA 1.005 57.372 56.400 -0.055 0.000 0.856 230 E CB -0.003 29.677 29.700 -0.033 0.000 0.771 230 E HN 0.639 nan 8.360 nan 0.000 0.526 231 Q N -1.951 117.815 119.800 -0.056 0.000 2.113 231 Q HA 0.146 4.487 4.340 0.001 0.000 0.225 231 Q C 1.928 177.902 176.000 -0.043 0.000 0.786 231 Q CA 0.059 55.838 55.803 -0.039 0.000 0.989 231 Q CB 0.864 29.589 28.738 -0.021 0.000 1.174 231 Q HN 0.222 nan 8.270 nan 0.000 0.470 232 L N 1.348 122.532 121.223 -0.064 0.000 2.081 232 L HA -0.256 4.084 4.340 0.001 0.000 0.212 232 L C 2.132 178.960 176.870 -0.071 0.000 1.080 232 L CA 2.664 57.467 54.840 -0.061 0.000 0.754 232 L CB -1.524 40.488 42.059 -0.079 0.000 0.893 232 L HN 0.484 nan 8.230 nan 0.000 0.433 233 D N -0.615 119.742 120.400 -0.071 0.000 2.178 233 D HA -0.154 4.486 4.640 0.001 0.000 0.201 233 D C 1.228 177.495 176.300 -0.054 0.000 0.980 233 D CA 1.412 55.368 54.000 -0.073 0.000 0.842 233 D CB -0.344 40.421 40.800 -0.060 0.000 0.948 233 D HN 0.435 nan 8.370 nan 0.000 0.472 234 K N 0.243 120.622 120.400 -0.036 0.000 3.192 234 K HA 0.406 4.726 4.320 0.001 0.000 0.269 234 K C 0.071 176.666 176.600 -0.010 0.000 1.270 234 K CA -0.178 56.097 56.287 -0.020 0.000 1.249 234 K CB -0.647 31.845 32.500 -0.012 0.000 1.528 234 K HN 0.303 nan 8.250 nan 0.000 0.360 235 L N -0.283 120.931 121.223 -0.014 0.000 2.359 235 L HA 0.524 4.864 4.340 0.001 0.000 0.256 235 L C 0.150 177.029 176.870 0.015 0.000 1.026 235 L CA -0.849 53.998 54.840 0.013 0.000 0.828 235 L CB 2.584 44.667 42.059 0.040 0.000 1.406 235 L HN 0.350 nan 8.230 nan 0.000 0.413 236 S N -0.901 114.829 115.700 0.051 0.000 2.651 236 S HA 0.522 4.992 4.470 0.001 0.000 0.291 236 S C 0.843 175.534 174.600 0.152 0.000 1.141 236 S CA 0.098 58.335 58.200 0.061 0.000 1.027 236 S CB 1.719 64.945 63.200 0.042 0.000 1.043 236 S HN 0.759 nan 8.310 nan 0.000 0.530 237 E N 0.899 121.182 120.200 0.139 0.000 2.068 237 E HA -0.189 4.161 4.350 0.001 0.000 0.207 237 E C 1.620 178.346 176.600 0.210 0.000 1.032 237 E CA 2.451 58.991 56.400 0.233 0.000 0.839 237 E CB -2.171 27.603 29.700 0.125 0.000 0.758 237 E HN 1.073 nan 8.360 nan 0.000 0.457 238 D N -2.134 118.322 120.400 0.092 0.000 2.323 238 D HA 0.425 5.065 4.640 0.001 0.000 0.239 238 D C 1.375 177.671 176.300 -0.006 0.000 1.129 238 D CA 1.227 55.240 54.000 0.022 0.000 0.865 238 D CB -1.106 39.701 40.800 0.011 0.000 0.913 238 D HN 0.999 nan 8.370 nan 0.000 0.517 239 C N -0.796 118.520 119.300 0.025 0.000 4.111 239 C HA 0.442 4.903 4.460 0.001 0.000 0.443 239 C C 2.022 177.012 174.990 0.002 0.000 1.586 239 C CA 0.657 59.674 59.018 -0.001 0.000 2.085 239 C CB -0.819 26.931 27.740 0.016 0.000 3.126 239 C HN 0.632 nan 8.230 nan 0.000 0.684 240 Y N 1.055 121.339 120.300 -0.027 0.000 2.516 240 Y HA 0.285 4.836 4.550 0.001 0.000 0.291 240 Y C 2.165 178.052 175.900 -0.021 0.000 1.131 240 Y CA 1.824 59.909 58.100 -0.026 0.000 1.281 240 Y CB -0.690 37.756 38.460 -0.024 0.000 1.013 240 Y HN 0.174 nan 8.280 nan 0.000 0.554 241 K N 1.124 121.203 120.400 -0.534 0.000 2.116 241 K HA -0.087 4.233 4.320 0.001 0.000 0.203 241 K C 1.484 177.988 176.600 -0.160 0.000 1.052 241 K CA 1.482 57.529 56.287 -0.401 0.000 0.952 241 K CB -1.159 31.064 32.500 -0.462 0.000 0.729 241 K HN 0.540 nan 8.250 nan 0.000 0.446 242 D N 0.749 121.072 120.400 -0.127 0.000 2.133 242 D HA -0.133 4.508 4.640 0.001 0.000 0.195 242 D C 2.056 178.337 176.300 -0.031 0.000 0.997 242 D CA 1.838 55.799 54.000 -0.066 0.000 0.840 242 D CB -0.093 40.665 40.800 -0.069 0.000 0.947 242 D HN 0.412 nan 8.370 nan 0.000 0.452 243 S N 0.175 115.862 115.700 -0.022 0.000 2.345 243 S HA -0.118 4.352 4.470 0.001 0.000 0.219 243 S C 2.316 176.934 174.600 0.028 0.000 1.031 243 S CA 1.771 59.978 58.200 0.013 0.000 0.984 243 S CB -0.405 62.812 63.200 0.028 0.000 0.874 243 S HN 0.520 nan 8.310 nan 0.000 0.451 244 T N 1.035 115.610 114.554 0.035 0.000 2.867 244 T HA 0.003 4.354 4.350 0.001 0.000 0.268 244 T C 1.701 176.429 174.700 0.047 0.000 1.057 244 T CA 0.679 62.813 62.100 0.057 0.000 1.136 244 T CB -0.554 68.373 68.868 0.097 0.000 0.874 244 T HN 0.052 nan 8.240 nan 0.000 0.466 245 L N 1.168 122.400 121.223 0.015 0.000 1.997 245 L HA -0.009 4.332 4.340 0.001 0.000 0.216 245 L C 2.598 179.489 176.870 0.034 0.000 1.074 245 L CA 1.642 56.491 54.840 0.014 0.000 0.763 245 L CB -0.741 41.316 42.059 -0.002 0.000 0.890 245 L HN 0.388 nan 8.230 nan 0.000 0.434 246 I N -2.153 118.444 120.570 0.044 0.000 2.500 246 I HA -0.252 3.918 4.170 0.001 0.000 0.252 246 I C 2.333 178.507 176.117 0.096 0.000 1.142 246 I CA 0.796 62.133 61.300 0.060 0.000 1.451 246 I CB -0.227 37.812 38.000 0.065 0.000 1.093 246 I HN 0.231 nan 8.210 nan 0.000 0.430 247 M N 0.097 119.769 119.600 0.120 0.000 2.213 247 M HA -0.223 4.258 4.480 0.001 0.000 0.263 247 M C 2.330 178.815 176.300 0.309 0.000 1.062 247 M CA 1.609 57.051 55.300 0.237 0.000 1.105 247 M CB -0.239 32.434 32.600 0.120 0.000 1.385 247 M HN 0.151 nan 8.290 nan 0.000 0.417 248 Q N 1.012 120.913 119.800 0.169 0.000 2.050 248 Q HA -0.104 4.237 4.340 0.001 0.000 0.202 248 Q C 1.752 177.758 176.000 0.009 0.000 0.980 248 Q CA 1.710 57.572 55.803 0.097 0.000 0.840 248 Q CB -0.385 28.389 28.738 0.059 0.000 0.898 248 Q HN 0.541 nan 8.270 nan 0.000 0.424 249 L N -0.217 121.007 121.223 0.002 0.000 2.127 249 L HA -0.180 4.160 4.340 0.001 0.000 0.211 249 L C 2.316 179.121 176.870 -0.108 0.000 1.089 249 L CA 0.793 55.600 54.840 -0.055 0.000 0.757 249 L CB -0.551 41.491 42.059 -0.029 0.000 0.899 249 L HN 0.266 nan 8.230 nan 0.000 0.434 250 L N -0.032 121.167 121.223 -0.039 0.000 2.056 250 L HA -0.223 4.118 4.340 0.001 0.000 0.207 250 L C 3.417 180.130 176.870 -0.262 0.000 1.078 250 L CA 1.590 56.381 54.840 -0.081 0.000 0.749 250 L CB -0.701 41.420 42.059 0.104 0.000 0.901 250 L HN 0.262 nan 8.230 nan 0.000 0.433 251 R N -0.194 120.115 120.500 -0.318 0.000 2.075 251 R HA -0.169 4.171 4.340 0.001 0.000 0.232 251 R C 1.781 177.872 176.300 -0.347 0.000 1.126 251 R CA 1.876 57.685 56.100 -0.485 0.000 0.963 251 R CB -1.431 28.579 30.300 -0.482 0.000 0.858 251 R HN 0.334 nan 8.270 nan 0.000 0.435 252 D N 0.858 121.096 120.400 -0.270 0.000 2.117 252 D HA -0.129 4.512 4.640 0.001 0.000 0.197 252 D C 1.517 177.576 176.300 -0.402 0.000 0.987 252 D CA 1.392 55.235 54.000 -0.262 0.000 0.829 252 D CB -0.190 40.495 40.800 -0.191 0.000 0.961 252 D HN 0.436 nan 8.370 nan 0.000 0.460 253 N N 0.338 118.710 118.700 -0.547 0.000 2.106 253 N HA -0.099 4.641 4.740 0.001 0.000 0.188 253 N C 1.813 176.669 175.510 -1.090 0.000 1.029 253 N CA 0.315 52.746 53.050 -1.030 0.000 0.848 253 N CB -0.382 37.325 38.487 -1.300 0.000 1.007 253 N HN 0.113 nan 8.380 nan 0.000 0.423 254 L N 1.440 122.285 121.223 -0.630 0.000 2.043 254 L HA -0.136 4.205 4.340 0.001 0.000 0.212 254 L C 2.173 178.911 176.870 -0.221 0.000 1.075 254 L CA 1.584 56.246 54.840 -0.296 0.000 0.752 254 L CB -1.762 40.155 42.059 -0.236 0.000 0.891 254 L HN 0.187 nan 8.230 nan 0.000 0.432 255 T N -0.106 114.290 114.554 -0.264 0.000 2.674 255 T HA -0.217 4.133 4.350 0.001 0.000 0.265 255 T C 1.973 176.582 174.700 -0.152 0.000 1.039 255 T CA 1.454 63.448 62.100 -0.177 0.000 1.150 255 T CB -0.410 68.356 68.868 -0.171 0.000 0.864 255 T HN 0.176 nan 8.240 nan 0.000 0.427 256 L N -0.038 121.041 121.223 -0.240 0.000 2.021 256 L HA -0.143 4.197 4.340 0.001 0.000 0.215 256 L C 2.126 178.969 176.870 -0.045 0.000 1.074 256 L CA 1.798 56.523 54.840 -0.192 0.000 0.760 256 L CB -0.542 41.314 42.059 -0.338 0.000 0.889 256 L HN 0.390 nan 8.230 nan 0.000 0.433 257 W N -0.312 120.895 121.300 -0.155 0.000 2.518 257 W HA 0.102 4.762 4.660 0.001 0.000 0.273 257 W C 0.971 177.477 176.519 -0.022 0.000 1.247 257 W CA 0.816 58.079 57.345 -0.136 0.000 1.288 257 W CB -1.690 27.636 29.460 -0.224 0.000 1.107 257 W HN 0.243 nan 8.180 nan 0.000 0.586 258 T N -1.091 113.561 114.554 0.165 0.000 2.738 258 T HA 0.692 5.042 4.350 0.001 0.000 0.298 258 T C 0.640 175.380 174.700 0.066 0.000 0.962 258 T CA -0.394 61.768 62.100 0.103 0.000 0.972 258 T CB 1.498 70.400 68.868 0.057 0.000 0.928 258 T HN 0.197 nan 8.240 nan 0.000 0.474 259 A N 0.000 122.861 122.820 0.069 0.000 2.254 259 A HA 0.000 4.320 4.320 0.001 0.000 0.244 259 A CA 0.000 52.069 52.037 0.054 0.000 0.836 259 A CB 0.000 19.023 19.000 0.038 0.000 0.831 259 A HN 0.000 nan 8.150 nan 0.000 0.486