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 2zl4_1_F DATA FIRST_RESID 20 DATA SEQUENCE DIYSRLLKDR IVLLSGEIND SVASSIVAQL LFLEAEDPEK DIGLYINSPG DATA SEQUENCE GVITSGLSIY DTMNFIRPDV STICIGQAAA MGAFLLSCGA KGKRFSLPHS DATA SEQUENCE RIMIHQPLGG AQGQASDIEI ISNEILRLKG LMNSILAQNS GQSLEQIAKD DATA SEQUENCE TDRDFYMSAK EAKEYGLIDK VLQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.286 176.300 -0.023 0.000 2.045 20 D CA 0.000 54.007 54.000 0.012 0.000 0.868 20 D CB 0.000 40.830 40.800 0.050 0.000 0.688 21 I N 1.977 122.498 120.570 -0.081 0.000 2.339 21 I HA 0.063 4.233 4.170 -0.000 0.000 0.245 21 I C 1.256 177.247 176.117 -0.210 0.000 1.096 21 I CA 1.137 62.315 61.300 -0.203 0.000 1.408 21 I CB -0.289 37.489 38.000 -0.370 0.000 1.092 21 I HN 0.576 nan 8.210 nan 0.000 0.423 22 Y N 0.273 120.560 120.300 -0.022 0.000 2.333 22 Y HA -0.136 4.414 4.550 -0.000 0.000 0.290 22 Y C 2.718 178.607 175.900 -0.019 0.000 1.144 22 Y CA 1.388 59.474 58.100 -0.022 0.000 1.228 22 Y CB -0.924 37.525 38.460 -0.019 0.000 0.985 22 Y HN 0.125 nan 8.280 nan 0.000 0.542 23 S N -0.659 115.103 115.700 0.104 0.000 2.387 23 S HA -0.110 4.359 4.470 -0.000 0.000 0.226 23 S C 2.123 176.746 174.600 0.039 0.000 1.026 23 S CA 0.575 58.804 58.200 0.049 0.000 0.972 23 S CB -0.071 63.140 63.200 0.019 0.000 0.814 23 S HN 0.271 nan 8.310 nan 0.000 0.477 24 R N 1.376 121.886 120.500 0.016 0.000 2.075 24 R HA 0.133 4.473 4.340 -0.000 0.000 0.232 24 R C 2.100 178.412 176.300 0.020 0.000 1.126 24 R CA 0.952 57.058 56.100 0.010 0.000 0.963 24 R CB -0.987 29.302 30.300 -0.018 0.000 0.858 24 R HN 0.413 nan 8.270 nan 0.000 0.435 25 L N 0.290 121.519 121.223 0.009 0.000 2.093 25 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 25 L C 2.385 179.296 176.870 0.068 0.000 1.085 25 L CA 0.668 55.517 54.840 0.016 0.000 0.755 25 L CB -0.503 41.548 42.059 -0.013 0.000 0.904 25 L HN 0.130 nan 8.230 nan 0.000 0.435 26 L N 0.470 121.751 121.223 0.097 0.000 2.131 26 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 26 L C 2.494 179.466 176.870 0.169 0.000 1.092 26 L CA 1.725 56.651 54.840 0.143 0.000 0.759 26 L CB -0.558 41.577 42.059 0.128 0.000 0.903 26 L HN 0.118 nan 8.230 nan 0.000 0.435 27 K N -0.908 119.572 120.400 0.133 0.000 2.280 27 K HA -0.157 4.163 4.320 -0.000 0.000 0.202 27 K C 0.813 177.470 176.600 0.095 0.000 1.047 27 K CA 1.427 57.791 56.287 0.127 0.000 0.942 27 K CB -0.013 32.539 32.500 0.087 0.000 0.739 27 K HN 0.417 nan 8.250 nan 0.000 0.457 28 D N 0.477 120.927 120.400 0.083 0.000 2.358 28 D HA 0.063 4.703 4.640 -0.000 0.000 0.224 28 D C -0.513 175.841 176.300 0.090 0.000 1.123 28 D CA 0.069 54.111 54.000 0.070 0.000 0.833 28 D CB 0.384 41.215 40.800 0.052 0.000 0.946 28 D HN 0.146 nan 8.370 nan 0.000 0.505 29 R N 0.195 120.761 120.500 0.110 0.000 3.525 29 R HA -0.164 4.176 4.340 -0.000 0.000 0.276 29 R C -0.286 176.104 176.300 0.151 0.000 1.116 29 R CA 0.471 56.644 56.100 0.122 0.000 0.745 29 R CB -2.135 28.217 30.300 0.087 0.000 1.185 29 R HN 0.290 nan 8.270 nan 0.000 0.454 30 I N 0.793 121.456 120.570 0.155 0.000 2.339 30 I HA 0.322 4.492 4.170 -0.000 0.000 0.290 30 I C 0.252 176.479 176.117 0.183 0.000 0.994 30 I CA -0.962 60.453 61.300 0.192 0.000 1.191 30 I CB 1.912 39.964 38.000 0.086 0.000 1.343 30 I HN -0.193 nan 8.210 nan 0.000 0.458 31 V N 7.478 127.537 119.914 0.241 0.000 2.495 31 V HA 0.435 4.555 4.120 -0.000 0.000 0.298 31 V C -0.092 176.142 176.094 0.233 0.000 1.031 31 V CA -0.599 61.820 62.300 0.197 0.000 0.871 31 V CB 2.104 34.026 31.823 0.165 0.000 0.988 31 V HN 0.476 nan 8.190 nan 0.000 0.432 32 L N 5.585 126.910 121.223 0.171 0.000 2.287 32 L HA 0.527 4.867 4.340 -0.000 0.000 0.287 32 L C -0.766 176.168 176.870 0.107 0.000 1.022 32 L CA -0.641 54.300 54.840 0.170 0.000 0.814 32 L CB 1.584 43.743 42.059 0.166 0.000 1.217 32 L HN 0.440 nan 8.230 nan 0.000 0.420 33 L N 3.884 125.181 121.223 0.123 0.000 2.295 33 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 33 L C -0.334 176.581 176.870 0.076 0.000 1.018 33 L CA 0.246 55.134 54.840 0.080 0.000 0.841 33 L CB 1.340 43.450 42.059 0.084 0.000 1.218 33 L HN 0.523 nan 8.230 nan 0.000 0.424 34 S N 3.950 119.678 115.700 0.047 0.000 2.532 34 S HA 0.930 5.400 4.470 -0.000 0.000 0.299 34 S C -0.117 174.500 174.600 0.029 0.000 1.105 34 S CA 0.362 58.591 58.200 0.048 0.000 1.018 34 S CB 0.798 64.030 63.200 0.054 0.000 1.021 34 S HN 1.735 nan 8.310 nan 0.000 0.483 35 G N 3.440 112.261 108.800 0.035 0.000 2.660 35 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.247 35 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.247 35 G C -0.861 174.055 174.900 0.027 0.000 1.328 35 G CA -0.680 44.436 45.100 0.027 0.000 0.884 35 G HN 0.825 nan 8.290 nan 0.000 0.531 36 E N -0.615 119.598 120.200 0.023 0.000 2.413 36 E HA 0.280 4.630 4.350 -0.000 0.000 0.263 36 E C 0.385 176.998 176.600 0.021 0.000 1.015 36 E CA 0.229 56.642 56.400 0.023 0.000 0.916 36 E CB 0.564 30.276 29.700 0.021 0.000 0.947 36 E HN 0.399 nan 8.360 nan 0.000 0.440 37 I N 3.813 124.398 120.570 0.024 0.000 2.331 37 I HA 0.164 4.334 4.170 -0.000 0.000 0.292 37 I C -0.111 176.017 176.117 0.018 0.000 0.998 37 I CA -0.440 60.875 61.300 0.025 0.000 1.267 37 I CB 0.604 38.625 38.000 0.034 0.000 1.386 37 I HN 0.532 nan 8.210 nan 0.000 0.476 38 N N 2.763 121.472 118.700 0.016 0.000 2.972 38 N HA 0.271 5.011 4.740 -0.000 0.000 0.262 38 N C -0.130 175.387 175.510 0.011 0.000 1.478 38 N CA -0.798 52.258 53.050 0.010 0.000 0.841 38 N CB 0.502 38.993 38.487 0.007 0.000 1.512 38 N HN 0.212 nan 8.380 nan 0.000 0.548 39 D N -0.379 120.025 120.400 0.007 0.000 2.158 39 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 39 D C 1.399 177.703 176.300 0.006 0.000 0.995 39 D CA 1.538 55.542 54.000 0.007 0.000 0.846 39 D CB -0.246 40.556 40.800 0.003 0.000 0.941 39 D HN 0.500 nan 8.370 nan 0.000 0.456 40 S N -0.380 115.322 115.700 0.003 0.000 2.343 40 S HA -0.127 4.343 4.470 -0.000 0.000 0.219 40 S C 2.170 176.769 174.600 -0.001 0.000 1.033 40 S CA 1.129 59.329 58.200 -0.001 0.000 1.014 40 S CB -0.335 62.862 63.200 -0.005 0.000 0.915 40 S HN 0.056 nan 8.310 nan 0.000 0.435 41 V N 2.243 122.158 119.914 0.000 0.000 2.392 41 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 41 V C 2.766 178.868 176.094 0.013 0.000 1.059 41 V CA 1.802 64.102 62.300 0.001 0.000 1.051 41 V CB -1.328 30.499 31.823 0.006 0.000 0.658 41 V HN 0.606 nan 8.190 nan 0.000 0.455 42 A N 0.727 123.560 122.820 0.020 0.000 1.902 42 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 42 A C 2.566 180.168 177.584 0.030 0.000 1.181 42 A CA 2.214 54.270 52.037 0.032 0.000 0.623 42 A CB -0.771 18.249 19.000 0.032 0.000 0.818 42 A HN 0.689 nan 8.150 nan 0.000 0.443 43 S N -0.735 114.977 115.700 0.019 0.000 2.399 43 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 43 S C 2.134 176.747 174.600 0.020 0.000 1.022 43 S CA 1.715 59.927 58.200 0.019 0.000 0.983 43 S CB -0.719 62.488 63.200 0.011 0.000 0.803 43 S HN 0.520 nan 8.310 nan 0.000 0.480 44 S N 1.257 116.963 115.700 0.010 0.000 2.355 44 S HA -0.017 4.453 4.470 -0.000 0.000 0.222 44 S C 1.874 176.486 174.600 0.020 0.000 1.031 44 S CA 1.209 59.410 58.200 0.002 0.000 0.993 44 S CB -0.546 62.642 63.200 -0.021 0.000 0.859 44 S HN 0.488 nan 8.310 nan 0.000 0.453 45 I N 1.574 122.163 120.570 0.032 0.000 2.179 45 I HA -0.086 4.084 4.170 -0.000 0.000 0.242 45 I C 2.485 178.646 176.117 0.073 0.000 1.088 45 I CA 0.994 62.327 61.300 0.055 0.000 1.357 45 I CB -1.660 36.377 38.000 0.062 0.000 1.051 45 I HN 0.189 nan 8.210 nan 0.000 0.409 46 V N 1.458 121.413 119.914 0.068 0.000 2.332 46 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 46 V C 2.834 178.983 176.094 0.091 0.000 1.055 46 V CA 1.903 64.251 62.300 0.080 0.000 1.038 46 V CB -1.031 30.831 31.823 0.065 0.000 0.651 46 V HN 0.477 nan 8.190 nan 0.000 0.450 47 A N -0.975 121.890 122.820 0.074 0.000 1.902 47 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 47 A C 2.149 179.804 177.584 0.118 0.000 1.181 47 A CA 1.992 54.077 52.037 0.080 0.000 0.623 47 A CB -0.454 18.571 19.000 0.041 0.000 0.818 47 A HN 0.643 nan 8.150 nan 0.000 0.443 48 Q N -0.479 119.384 119.800 0.105 0.000 2.119 48 Q HA -0.033 4.307 4.340 -0.000 0.000 0.201 48 Q C 2.076 178.205 176.000 0.215 0.000 0.972 48 Q CA 1.269 57.165 55.803 0.156 0.000 0.847 48 Q CB -0.300 28.504 28.738 0.109 0.000 0.903 48 Q HN 0.670 nan 8.270 nan 0.000 0.433 49 L N 0.312 121.627 121.223 0.152 0.000 2.093 49 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 49 L C 2.256 179.197 176.870 0.118 0.000 1.085 49 L CA 0.896 55.813 54.840 0.130 0.000 0.755 49 L CB -0.381 41.744 42.059 0.110 0.000 0.904 49 L HN 0.270 nan 8.230 nan 0.000 0.435 50 L N -1.347 119.958 121.223 0.136 0.000 2.141 50 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 50 L C 2.554 179.494 176.870 0.116 0.000 1.094 50 L CA 1.057 55.966 54.840 0.116 0.000 0.763 50 L CB -0.526 41.613 42.059 0.133 0.000 0.908 50 L HN 0.193 nan 8.230 nan 0.000 0.437 51 F N 0.702 120.671 119.950 0.032 0.000 2.051 51 F HA -0.241 4.286 4.527 -0.000 0.000 0.296 51 F C 2.204 178.017 175.800 0.022 0.000 1.122 51 F CA 1.494 59.510 58.000 0.026 0.000 1.201 51 F CB -0.242 38.775 39.000 0.030 0.000 0.978 51 F HN -0.159 nan 8.300 nan 0.000 0.472 52 L N 0.834 121.983 121.223 -0.123 0.000 2.079 52 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 52 L C 2.507 179.250 176.870 -0.212 0.000 1.081 52 L CA 1.723 56.428 54.840 -0.226 0.000 0.752 52 L CB -1.695 40.370 42.059 0.009 0.000 0.896 52 L HN 0.356 nan 8.230 nan 0.000 0.433 53 E N -0.110 120.016 120.200 -0.124 0.000 2.051 53 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 53 E C 2.132 178.644 176.600 -0.147 0.000 0.991 53 E CA 1.440 57.774 56.400 -0.110 0.000 0.799 53 E CB 0.231 29.883 29.700 -0.081 0.000 0.748 53 E HN 0.419 nan 8.360 nan 0.000 0.449 54 A N 1.305 124.021 122.820 -0.172 0.000 1.972 54 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 54 A C 1.906 179.362 177.584 -0.214 0.000 1.169 54 A CA 1.250 53.189 52.037 -0.163 0.000 0.635 54 A CB -0.288 18.637 19.000 -0.124 0.000 0.810 54 A HN 0.167 nan 8.150 nan 0.000 0.446 55 E N -0.527 119.462 120.200 -0.353 0.000 2.208 55 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 55 E C -0.318 176.175 176.600 -0.178 0.000 0.988 55 E CA 0.854 57.063 56.400 -0.317 0.000 0.828 55 E CB 0.120 29.527 29.700 -0.488 0.000 0.763 55 E HN 0.598 nan 8.360 nan 0.000 0.478 56 D N -1.243 119.065 120.400 -0.153 0.000 2.227 56 D HA -0.001 4.639 4.640 -0.000 0.000 0.176 56 D C -2.445 173.805 176.300 -0.084 0.000 1.228 56 D CA -0.703 53.240 54.000 -0.096 0.000 1.043 56 D CB 0.985 41.741 40.800 -0.074 0.000 1.758 56 D HN -0.177 nan 8.370 nan 0.000 0.544 57 P HA -0.000 nan 4.420 nan 0.000 0.239 57 P C 0.665 177.932 177.300 -0.054 0.000 1.184 57 P CA 0.683 63.739 63.100 -0.073 0.000 0.760 57 P CB 0.648 32.300 31.700 -0.080 0.000 0.884 58 E N -0.329 119.845 120.200 -0.044 0.000 2.330 58 E HA 0.095 4.445 4.350 -0.000 0.000 0.200 58 E C 0.433 177.022 176.600 -0.018 0.000 0.922 58 E CA -0.081 56.301 56.400 -0.030 0.000 0.935 58 E CB 0.275 29.959 29.700 -0.026 0.000 0.917 58 E HN 0.256 nan 8.360 nan 0.000 0.491 59 K N 2.463 122.852 120.400 -0.018 0.000 2.416 59 K HA 0.034 4.354 4.320 -0.000 0.000 0.283 59 K C -0.483 176.121 176.600 0.006 0.000 1.037 59 K CA -0.240 56.045 56.287 -0.004 0.000 0.995 59 K CB 0.553 33.050 32.500 -0.004 0.000 0.938 59 K HN -0.030 nan 8.250 nan 0.000 0.475 60 D N 1.956 122.368 120.400 0.020 0.000 2.370 60 D HA 0.028 4.668 4.640 -0.000 0.000 0.235 60 D C 0.177 176.505 176.300 0.047 0.000 1.228 60 D CA 0.548 54.567 54.000 0.033 0.000 0.884 60 D CB 0.513 41.341 40.800 0.047 0.000 1.201 60 D HN 0.286 nan 8.370 nan 0.000 0.456 61 I N -0.340 120.264 120.570 0.056 0.000 2.608 61 I HA 0.417 4.587 4.170 -0.000 0.000 0.295 61 I C 0.512 176.687 176.117 0.096 0.000 1.049 61 I CA -0.902 60.446 61.300 0.080 0.000 1.063 61 I CB 2.336 40.380 38.000 0.072 0.000 1.248 61 I HN 0.245 nan 8.210 nan 0.000 0.424 62 G N 5.584 114.472 108.800 0.147 0.000 2.522 62 G HA2 0.521 4.481 3.960 -0.000 0.000 0.318 62 G HA3 0.521 4.481 3.960 -0.000 0.000 0.318 62 G C -1.186 173.829 174.900 0.193 0.000 1.192 62 G CA -0.327 44.866 45.100 0.155 0.000 0.988 62 G HN 0.369 nan 8.290 nan 0.000 0.480 63 L N 3.694 124.956 121.223 0.065 0.000 2.270 63 L HA 0.508 4.848 4.340 -0.000 0.000 0.286 63 L C -1.021 175.863 176.870 0.023 0.000 1.059 63 L CA -1.280 53.622 54.840 0.104 0.000 0.839 63 L CB -0.238 41.861 42.059 0.066 0.000 1.221 63 L HN 0.443 nan 8.230 nan 0.000 0.431 64 Y N 5.695 126.044 120.300 0.082 0.000 2.359 64 Y HA 0.432 4.982 4.550 -0.000 0.000 0.334 64 Y C 0.278 176.220 175.900 0.070 0.000 1.058 64 Y CA -0.161 57.987 58.100 0.081 0.000 1.244 64 Y CB 0.646 39.157 38.460 0.084 0.000 1.187 64 Y HN 0.411 nan 8.280 nan 0.000 0.510 65 I N 3.795 124.444 120.570 0.131 0.000 2.406 65 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 65 I C -0.491 175.686 176.117 0.099 0.000 0.999 65 I CA -0.704 60.657 61.300 0.102 0.000 1.124 65 I CB 1.575 39.608 38.000 0.056 0.000 1.289 65 I HN 0.540 nan 8.210 nan 0.000 0.441 66 N N 4.319 123.076 118.700 0.095 0.000 2.707 66 N HA 0.291 5.031 4.740 -0.000 0.000 0.249 66 N C -1.637 173.911 175.510 0.063 0.000 1.299 66 N CA -0.122 52.977 53.050 0.081 0.000 0.769 66 N CB 1.274 39.817 38.487 0.093 0.000 1.236 66 N HN 0.556 nan 8.380 nan 0.000 0.524 67 S N 2.100 117.830 115.700 0.051 0.000 2.540 67 S HA 0.622 5.092 4.470 -0.000 0.000 0.275 67 S C -2.449 172.168 174.600 0.029 0.000 1.123 67 S CA -1.241 56.984 58.200 0.041 0.000 0.907 67 S CB 1.671 64.896 63.200 0.042 0.000 1.081 67 S HN 0.340 nan 8.310 nan 0.000 0.476 68 P HA 0.319 nan 4.420 nan 0.000 0.261 68 P C 0.733 178.034 177.300 0.001 0.000 1.268 68 P CA 0.604 63.715 63.100 0.019 0.000 0.833 68 P CB -0.023 31.698 31.700 0.035 0.000 1.231 69 G N -1.228 107.577 108.800 0.009 0.000 2.396 69 G HA2 0.340 4.300 3.960 -0.000 0.000 0.254 69 G HA3 0.340 4.300 3.960 -0.000 0.000 0.254 69 G C -0.429 174.486 174.900 0.025 0.000 1.248 69 G CA -0.340 44.766 45.100 0.009 0.000 1.033 69 G HN 0.557 nan 8.290 nan 0.000 0.502 70 G N -2.801 106.016 108.800 0.028 0.000 2.345 70 G HA2 0.535 4.495 3.960 -0.000 0.000 0.285 70 G HA3 0.535 4.495 3.960 -0.000 0.000 0.285 70 G C -0.383 174.523 174.900 0.010 0.000 1.297 70 G CA 0.524 45.638 45.100 0.023 0.000 0.875 70 G HN 1.898 nan 8.290 nan 0.000 0.506 71 V N 1.519 121.436 119.914 0.005 0.000 2.625 71 V HA 0.012 4.132 4.120 -0.000 0.000 0.305 71 V C 2.010 178.091 176.094 -0.021 0.000 1.055 71 V CA 0.969 63.265 62.300 -0.007 0.000 1.209 71 V CB 0.301 32.122 31.823 -0.003 0.000 0.877 71 V HN 0.593 nan 8.190 nan 0.000 0.489 72 I N 4.006 124.550 120.570 -0.044 0.000 2.142 72 I HA -0.209 3.961 4.170 -0.000 0.000 0.240 72 I C 2.622 178.705 176.117 -0.057 0.000 1.078 72 I CA 1.904 63.153 61.300 -0.085 0.000 1.343 72 I CB -0.530 37.403 38.000 -0.110 0.000 1.046 72 I HN 0.944 nan 8.210 nan 0.000 0.405 73 T N -1.900 112.635 114.554 -0.033 0.000 2.759 73 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 73 T C 1.948 176.653 174.700 0.008 0.000 1.042 73 T CA 1.708 63.801 62.100 -0.012 0.000 1.140 73 T CB -0.596 68.265 68.868 -0.011 0.000 0.864 73 T HN 0.215 nan 8.240 nan 0.000 0.455 74 S N 1.477 117.182 115.700 0.007 0.000 2.382 74 S HA 0.071 4.541 4.470 -0.000 0.000 0.228 74 S C 2.421 177.049 174.600 0.046 0.000 1.027 74 S CA 1.031 59.244 58.200 0.022 0.000 0.991 74 S CB -1.009 62.201 63.200 0.017 0.000 0.823 74 S HN 0.783 nan 8.310 nan 0.000 0.469 75 G N 1.339 110.164 108.800 0.042 0.000 2.421 75 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.217 75 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.217 75 G C 1.292 176.296 174.900 0.173 0.000 1.143 75 G CA 0.253 45.407 45.100 0.090 0.000 0.784 75 G HN 0.423 nan 8.290 nan 0.000 0.541 76 L N 1.613 122.915 121.223 0.132 0.000 2.141 76 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 76 L C 3.285 180.256 176.870 0.168 0.000 1.094 76 L CA 1.326 56.306 54.840 0.233 0.000 0.763 76 L CB -0.321 41.818 42.059 0.134 0.000 0.908 76 L HN 0.439 nan 8.230 nan 0.000 0.437 77 S N 0.177 115.932 115.700 0.092 0.000 2.368 77 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 77 S C 1.911 176.554 174.600 0.072 0.000 1.029 77 S CA 0.842 59.069 58.200 0.046 0.000 0.988 77 S CB -0.571 62.646 63.200 0.029 0.000 0.838 77 S HN 0.344 nan 8.310 nan 0.000 0.462 78 I N 0.544 121.185 120.570 0.118 0.000 2.179 78 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 78 I C 2.639 178.865 176.117 0.182 0.000 1.088 78 I CA 1.898 63.279 61.300 0.136 0.000 1.357 78 I CB -0.594 37.491 38.000 0.142 0.000 1.051 78 I HN 0.352 nan 8.210 nan 0.000 0.409 79 Y N 2.036 122.401 120.300 0.109 0.000 2.181 79 Y HA -0.299 4.251 4.550 -0.000 0.000 0.288 79 Y C 2.096 178.047 175.900 0.085 0.000 1.146 79 Y CA 1.640 59.805 58.100 0.109 0.000 1.164 79 Y CB -0.671 37.914 38.460 0.208 0.000 0.982 79 Y HN 0.179 nan 8.280 nan 0.000 0.515 80 D N -0.548 119.699 120.400 -0.255 0.000 2.144 80 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 80 D C 2.100 178.332 176.300 -0.112 0.000 0.978 80 D CA 1.873 55.658 54.000 -0.359 0.000 0.833 80 D CB -0.294 40.354 40.800 -0.253 0.000 0.961 80 D HN 0.429 nan 8.370 nan 0.000 0.470 81 T N 0.623 115.176 114.554 -0.001 0.000 2.777 81 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 81 T C 2.131 176.911 174.700 0.135 0.000 1.040 81 T CA 0.819 62.990 62.100 0.119 0.000 1.141 81 T CB -0.119 68.817 68.868 0.113 0.000 0.868 81 T HN 0.148 nan 8.240 nan 0.000 0.444 82 M N 1.436 121.091 119.600 0.092 0.000 2.144 82 M HA -0.115 4.365 4.480 -0.000 0.000 0.260 82 M C 1.830 178.167 176.300 0.062 0.000 1.067 82 M CA 1.347 56.697 55.300 0.085 0.000 1.095 82 M CB -0.359 32.306 32.600 0.108 0.000 1.365 82 M HN 0.147 nan 8.290 nan 0.000 0.406 83 N N -0.789 117.934 118.700 0.040 0.000 2.373 83 N HA -0.012 4.728 4.740 -0.000 0.000 0.181 83 N C 1.356 176.917 175.510 0.085 0.000 1.082 83 N CA 0.617 53.685 53.050 0.029 0.000 0.885 83 N CB -0.027 38.442 38.487 -0.030 0.000 0.977 83 N HN 0.253 nan 8.380 nan 0.000 0.462 84 F N 2.826 122.738 119.950 -0.064 0.000 2.206 84 F HA 0.145 4.672 4.527 -0.000 0.000 0.298 84 F C 1.075 176.858 175.800 -0.029 0.000 1.090 84 F CA 0.019 57.990 58.000 -0.049 0.000 1.323 84 F CB -0.183 38.788 39.000 -0.047 0.000 1.028 84 F HN -0.169 nan 8.300 nan 0.000 0.492 85 I N -1.096 119.427 120.570 -0.077 0.000 2.886 85 I HA 0.237 4.407 4.170 -0.000 0.000 0.299 85 I C 1.310 177.354 176.117 -0.122 0.000 1.044 85 I CA -0.696 60.501 61.300 -0.171 0.000 1.310 85 I CB 0.856 38.819 38.000 -0.061 0.000 1.441 85 I HN -0.035 nan 8.210 nan 0.000 0.578 86 R N 1.359 121.783 120.500 -0.127 0.000 2.062 86 R HA 0.147 4.487 4.340 -0.000 0.000 0.226 86 R C -1.550 174.719 176.300 -0.052 0.000 1.125 86 R CA 0.284 56.331 56.100 -0.088 0.000 0.966 86 R CB -1.730 28.516 30.300 -0.091 0.000 0.861 86 R HN 0.536 nan 8.270 nan 0.000 0.433 87 P HA -0.047 nan 4.420 nan 0.000 0.266 87 P C -0.933 176.360 177.300 -0.010 0.000 1.193 87 P CA 0.451 63.537 63.100 -0.023 0.000 0.770 87 P CB 0.368 32.057 31.700 -0.017 0.000 0.836 88 D N 0.990 121.388 120.400 -0.004 0.000 2.351 88 D HA 0.141 4.781 4.640 -0.000 0.000 0.251 88 D C -0.409 175.895 176.300 0.006 0.000 1.137 88 D CA 0.124 54.122 54.000 -0.003 0.000 0.879 88 D CB 0.490 41.287 40.800 -0.005 0.000 1.181 88 D HN -0.072 nan 8.370 nan 0.000 0.448 89 V N 2.708 122.624 119.914 0.003 0.000 2.304 89 V HA 0.152 4.272 4.120 -0.000 0.000 0.269 89 V C 0.624 176.706 176.094 -0.020 0.000 1.036 89 V CA -0.597 61.709 62.300 0.011 0.000 0.840 89 V CB 1.050 32.890 31.823 0.028 0.000 1.036 89 V HN 0.487 nan 8.190 nan 0.000 0.466 90 S N 4.530 120.220 115.700 -0.016 0.000 2.580 90 S HA 0.514 4.984 4.470 -0.000 0.000 0.274 90 S C 0.275 174.823 174.600 -0.086 0.000 1.329 90 S CA -0.220 57.939 58.200 -0.069 0.000 1.036 90 S CB 0.855 64.075 63.200 0.033 0.000 0.919 90 S HN 0.931 nan 8.310 nan 0.000 0.515 91 T N 2.179 116.637 114.554 -0.159 0.000 2.824 91 T HA 0.705 5.055 4.350 -0.000 0.000 0.282 91 T C -0.799 173.823 174.700 -0.130 0.000 0.993 91 T CA -0.724 61.296 62.100 -0.133 0.000 0.967 91 T CB 0.733 69.533 68.868 -0.113 0.000 0.960 91 T HN 0.381 nan 8.240 nan 0.000 0.441 92 I N 2.298 122.756 120.570 -0.187 0.000 2.447 92 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 92 I C -0.015 176.061 176.117 -0.069 0.000 1.023 92 I CA -0.700 60.505 61.300 -0.158 0.000 1.083 92 I CB 1.700 39.415 38.000 -0.476 0.000 1.245 92 I HN 0.906 nan 8.210 nan 0.000 0.434 93 C N 8.863 128.168 119.300 0.009 0.000 2.281 93 C HA 0.761 5.221 4.460 -0.000 0.000 0.336 93 C C 0.156 175.191 174.990 0.075 0.000 1.217 93 C CA -0.546 58.497 59.018 0.041 0.000 1.730 93 C CB -1.507 26.250 27.740 0.029 0.000 2.338 93 C HN 0.711 nan 8.230 nan 0.000 0.521 94 I N 5.030 125.664 120.570 0.106 0.000 2.569 94 I HA 0.829 4.999 4.170 -0.000 0.000 0.296 94 I C 0.666 176.842 176.117 0.099 0.000 1.028 94 I CA 0.253 61.625 61.300 0.119 0.000 1.082 94 I CB 1.742 39.842 38.000 0.167 0.000 1.264 94 I HN 0.902 nan 8.210 nan 0.000 0.429 95 G N 4.981 113.835 108.800 0.090 0.000 4.026 95 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.309 95 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.309 95 G C -0.086 174.856 174.900 0.070 0.000 1.411 95 G CA 0.746 45.892 45.100 0.076 0.000 1.037 95 G HN 1.282 nan 8.290 nan 0.000 0.687 96 Q N -0.691 119.147 119.800 0.064 0.000 2.522 96 Q HA 0.695 5.035 4.340 -0.000 0.000 0.285 96 Q C -1.188 174.836 176.000 0.040 0.000 0.982 96 Q CA -0.336 55.499 55.803 0.054 0.000 0.805 96 Q CB 1.748 30.523 28.738 0.061 0.000 1.457 96 Q HN 2.067 nan 8.270 nan 0.000 0.394 97 A N 0.999 123.830 122.820 0.020 0.000 2.605 97 A HA 0.802 5.122 4.320 -0.000 0.000 0.293 97 A C -1.074 176.490 177.584 -0.033 0.000 1.216 97 A CA -0.003 52.037 52.037 0.005 0.000 0.742 97 A CB 0.900 19.902 19.000 0.005 0.000 1.170 97 A HN 0.866 nan 8.150 nan 0.000 0.443 98 A N 1.782 124.572 122.820 -0.049 0.000 2.350 98 A HA 0.927 5.247 4.320 -0.000 0.000 0.324 98 A C 0.965 178.449 177.584 -0.166 0.000 1.118 98 A CA 0.366 52.322 52.037 -0.136 0.000 0.783 98 A CB 0.680 19.601 19.000 -0.132 0.000 1.236 98 A HN 2.762 nan 8.150 nan 0.000 0.457 99 A N 1.355 123.999 122.820 -0.293 0.000 5.175 99 A HA -0.352 3.968 4.320 -0.000 0.000 0.332 99 A C 1.708 179.260 177.584 -0.053 0.000 1.800 99 A CA 2.746 54.615 52.037 -0.280 0.000 0.707 99 A CB -1.776 17.001 19.000 -0.372 0.000 1.405 99 A HN 1.944 nan 8.150 nan 0.000 0.388 100 M N 0.768 120.356 119.600 -0.020 0.000 2.267 100 M HA 0.027 4.507 4.480 -0.000 0.000 0.263 100 M C 1.902 178.262 176.300 0.100 0.000 1.063 100 M CA 2.636 57.955 55.300 0.032 0.000 1.090 100 M CB -1.266 31.334 32.600 0.000 0.000 1.392 100 M HN 0.967 nan 8.290 nan 0.000 0.422 101 G N -1.085 107.741 108.800 0.044 0.000 2.402 101 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.216 101 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.216 101 G C 1.546 176.471 174.900 0.042 0.000 1.162 101 G CA 0.866 45.993 45.100 0.045 0.000 0.777 101 G HN 0.628 nan 8.290 nan 0.000 0.539 102 A N 0.343 123.176 122.820 0.021 0.000 1.930 102 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 102 A C 2.134 179.736 177.584 0.030 0.000 1.175 102 A CA 1.468 53.509 52.037 0.007 0.000 0.627 102 A CB -0.548 18.439 19.000 -0.022 0.000 0.815 102 A HN 0.369 nan 8.150 nan 0.000 0.443 103 F N 0.715 120.620 119.950 -0.075 0.000 2.043 103 F HA -0.211 4.316 4.527 -0.000 0.000 0.297 103 F C 1.983 177.714 175.800 -0.114 0.000 1.121 103 F CA 2.044 59.985 58.000 -0.099 0.000 1.199 103 F CB -0.367 38.573 39.000 -0.100 0.000 0.968 103 F HN 0.148 nan 8.300 nan 0.000 0.478 104 L N -0.350 120.914 121.223 0.068 0.000 2.079 104 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 104 L C 2.452 179.268 176.870 -0.089 0.000 1.081 104 L CA 1.132 55.965 54.840 -0.011 0.000 0.752 104 L CB -0.826 41.295 42.059 0.104 0.000 0.896 104 L HN 0.326 nan 8.230 nan 0.000 0.433 105 L N -0.012 121.172 121.223 -0.065 0.000 2.046 105 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 105 L C 2.704 179.494 176.870 -0.133 0.000 1.077 105 L CA 2.218 57.011 54.840 -0.078 0.000 0.747 105 L CB -0.518 41.512 42.059 -0.048 0.000 0.896 105 L HN 0.342 nan 8.230 nan 0.000 0.432 106 S N -2.659 112.934 115.700 -0.177 0.000 2.522 106 S HA -0.115 4.355 4.470 -0.000 0.000 0.227 106 S C 1.725 176.165 174.600 -0.267 0.000 0.986 106 S CA 0.668 58.745 58.200 -0.206 0.000 0.929 106 S CB -1.347 61.730 63.200 -0.205 0.000 0.769 106 S HN 0.524 nan 8.310 nan 0.000 0.529 107 C N 2.343 121.450 119.300 -0.322 0.000 2.613 107 C HA 0.451 4.911 4.460 -0.000 0.000 0.273 107 C C 1.713 176.642 174.990 -0.102 0.000 1.304 107 C CA -0.844 58.011 59.018 -0.271 0.000 1.702 107 C CB -1.871 25.653 27.740 -0.359 0.000 1.792 107 C HN 0.711 nan 8.230 nan 0.000 0.588 108 G N 0.495 109.222 108.800 -0.123 0.000 2.606 108 G HA2 0.454 4.414 3.960 -0.000 0.000 0.252 108 G HA3 0.454 4.414 3.960 -0.000 0.000 0.252 108 G C 0.180 175.015 174.900 -0.107 0.000 1.206 108 G CA 0.102 45.139 45.100 -0.105 0.000 0.861 108 G HN 0.614 nan 8.290 nan 0.000 0.561 109 A N 0.703 123.467 122.820 -0.094 0.000 2.567 109 A HA 0.276 4.596 4.320 -0.000 0.000 0.240 109 A C 0.953 178.465 177.584 -0.121 0.000 1.053 109 A CA 0.153 52.141 52.037 -0.082 0.000 0.755 109 A CB 0.009 18.971 19.000 -0.063 0.000 0.978 109 A HN 0.812 nan 8.150 nan 0.000 0.507 110 K N 1.858 122.204 120.400 -0.090 0.000 2.524 110 K HA 0.241 4.560 4.320 -0.000 0.000 0.279 110 K C 1.349 177.885 176.600 -0.105 0.000 0.993 110 K CA 1.197 57.427 56.287 -0.095 0.000 1.030 110 K CB -0.127 32.336 32.500 -0.061 0.000 0.891 110 K HN 1.704 nan 8.250 nan 0.000 0.488 111 G N 3.514 112.240 108.800 -0.123 0.000 2.267 111 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.257 111 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.257 111 G C 0.363 175.137 174.900 -0.210 0.000 0.998 111 G CA 0.686 45.726 45.100 -0.101 0.000 0.620 111 G HN 0.670 nan 8.290 nan 0.000 0.529 112 K N 0.261 120.440 120.400 -0.368 0.000 2.618 112 K HA 0.283 4.603 4.320 -0.000 0.000 0.207 112 K C 0.479 176.363 176.600 -1.192 0.000 1.058 112 K CA -0.375 55.456 56.287 -0.760 0.000 1.086 112 K CB 0.662 32.992 32.500 -0.282 0.000 0.827 112 K HN 0.226 nan 8.250 nan 0.000 0.481 113 R N 1.046 120.986 120.500 -0.933 0.000 2.215 113 R HA 0.314 4.654 4.340 -0.000 0.000 0.337 113 R C -0.835 175.104 176.300 -0.601 0.000 1.010 113 R CA -0.312 55.416 56.100 -0.621 0.000 0.871 113 R CB 0.386 30.503 30.300 -0.305 0.000 1.134 113 R HN -0.073 nan 8.270 nan 0.000 0.477 114 F N -0.128 119.781 119.950 -0.068 0.000 2.613 114 F HA 0.615 5.142 4.527 -0.000 0.000 0.342 114 F C 0.575 176.339 175.800 -0.060 0.000 1.066 114 F CA -1.129 56.833 58.000 -0.062 0.000 1.002 114 F CB 1.891 40.846 39.000 -0.075 0.000 1.319 114 F HN 0.239 nan 8.300 nan 0.000 0.495 115 S N 0.521 116.330 115.700 0.183 0.000 2.535 115 S HA 0.614 5.084 4.470 -0.000 0.000 0.272 115 S C -1.247 173.388 174.600 0.058 0.000 1.149 115 S CA -0.724 57.527 58.200 0.084 0.000 0.888 115 S CB 0.690 63.920 63.200 0.050 0.000 1.110 115 S HN 0.587 nan 8.310 nan 0.000 0.463 116 L N 5.032 126.285 121.223 0.050 0.000 2.464 116 L HA 0.351 4.691 4.340 -0.000 0.000 0.264 116 L C -0.927 175.933 176.870 -0.016 0.000 1.199 116 L CA -1.826 53.034 54.840 0.033 0.000 0.818 116 L CB 0.546 42.647 42.059 0.071 0.000 1.102 116 L HN 0.608 nan 8.230 nan 0.000 0.473 117 P HA -0.205 nan 4.420 nan 0.000 0.218 117 P C 0.696 177.724 177.300 -0.453 0.000 1.146 117 P CA 1.660 64.595 63.100 -0.276 0.000 0.813 117 P CB 0.100 31.587 31.700 -0.354 0.000 0.778 118 H N -1.472 117.610 119.070 0.022 0.000 2.528 118 H HA 0.321 4.877 4.556 -0.000 0.000 0.282 118 H C 0.471 175.812 175.328 0.022 0.000 1.097 118 H CA -0.204 55.854 56.048 0.018 0.000 1.121 118 H CB 0.334 30.105 29.762 0.014 0.000 1.590 118 H HN 0.098 nan 8.280 nan 0.000 0.553 119 S N 1.693 117.439 115.700 0.076 0.000 2.603 119 S HA 0.302 4.772 4.470 -0.000 0.000 0.268 119 S C 0.854 175.484 174.600 0.051 0.000 1.317 119 S CA -0.616 57.625 58.200 0.068 0.000 1.012 119 S CB 1.186 64.417 63.200 0.053 0.000 0.926 119 S HN 0.555 nan 8.310 nan 0.000 0.539 120 R N 0.233 120.767 120.500 0.056 0.000 2.534 120 R HA 0.716 5.056 4.340 -0.000 0.000 0.301 120 R C -1.737 174.586 176.300 0.038 0.000 0.961 120 R CA -0.658 55.477 56.100 0.059 0.000 0.871 120 R CB 0.502 30.862 30.300 0.100 0.000 1.170 120 R HN 0.376 nan 8.270 nan 0.000 0.446 121 I N 3.644 124.214 120.570 0.000 0.000 2.404 121 I HA 0.430 4.600 4.170 -0.000 0.000 0.293 121 I C -0.304 175.737 176.117 -0.127 0.000 0.992 121 I CA -0.680 60.592 61.300 -0.047 0.000 1.149 121 I CB 1.968 39.942 38.000 -0.043 0.000 1.315 121 I HN 0.635 nan 8.210 nan 0.000 0.446 122 M N 7.954 127.434 119.600 -0.199 0.000 2.457 122 M HA 0.651 5.131 4.480 -0.000 0.000 0.300 122 M C -1.699 174.427 176.300 -0.290 0.000 1.141 122 M CA -0.681 54.386 55.300 -0.387 0.000 0.901 122 M CB 2.303 34.453 32.600 -0.749 0.000 1.687 122 M HN 0.593 nan 8.290 nan 0.000 0.449 123 I N 1.799 122.242 120.570 -0.213 0.000 2.647 123 I HA 0.721 4.891 4.170 -0.000 0.000 0.295 123 I C -1.218 174.877 176.117 -0.036 0.000 1.078 123 I CA -0.569 60.662 61.300 -0.115 0.000 1.048 123 I CB 2.491 40.493 38.000 0.003 0.000 1.239 123 I HN 0.905 nan 8.210 nan 0.000 0.421 124 H N 2.437 121.483 119.070 -0.039 0.000 2.981 124 H HA 0.391 4.947 4.556 -0.000 0.000 0.327 124 H C -1.699 173.608 175.328 -0.035 0.000 1.342 124 H CA -1.181 54.845 56.048 -0.036 0.000 1.123 124 H CB 1.448 31.184 29.762 -0.044 0.000 1.851 124 H HN 0.813 nan 8.280 nan 0.000 0.531 125 Q N 0.596 120.440 119.800 0.074 0.000 2.443 125 Q HA 0.420 4.760 4.340 -0.000 0.000 0.232 125 Q C -2.525 173.413 176.000 -0.103 0.000 1.026 125 Q CA -1.747 54.046 55.803 -0.016 0.000 0.924 125 Q CB 0.291 29.001 28.738 -0.047 0.000 1.256 125 Q HN 0.331 nan 8.270 nan 0.000 0.519 126 P HA 0.048 nan 4.420 nan 0.000 0.268 126 P C -1.139 176.077 177.300 -0.139 0.000 1.208 126 P CA 0.194 63.239 63.100 -0.092 0.000 0.777 126 P CB 0.412 32.071 31.700 -0.069 0.000 0.875 127 L N 1.046 122.194 121.223 -0.126 0.000 2.388 127 L HA 0.888 5.228 4.340 -0.000 0.000 0.264 127 L C 0.659 177.490 176.870 -0.065 0.000 0.998 127 L CA -0.290 54.481 54.840 -0.116 0.000 0.817 127 L CB 2.363 44.338 42.059 -0.140 0.000 1.338 127 L HN 0.574 nan 8.230 nan 0.000 0.414 128 G N 0.309 109.078 108.800 -0.051 0.000 2.494 128 G HA2 0.688 4.648 3.960 -0.000 0.000 0.308 128 G HA3 0.688 4.648 3.960 -0.000 0.000 0.308 128 G C -1.571 173.312 174.900 -0.028 0.000 1.263 128 G CA 0.016 45.095 45.100 -0.035 0.000 0.840 128 G HN 0.868 nan 8.290 nan 0.000 0.479 129 G N -1.754 107.033 108.800 -0.022 0.000 2.692 129 G HA2 0.920 4.880 3.960 -0.000 0.000 0.291 129 G HA3 0.920 4.880 3.960 -0.000 0.000 0.291 129 G C -1.231 173.659 174.900 -0.016 0.000 1.423 129 G CA 0.365 45.455 45.100 -0.018 0.000 0.843 129 G HN 1.945 nan 8.290 nan 0.000 0.486 130 A N 0.062 122.874 122.820 -0.014 0.000 2.540 130 A HA 0.829 5.149 4.320 -0.000 0.000 0.297 130 A C -0.988 176.590 177.584 -0.010 0.000 1.056 130 A CA -0.442 51.588 52.037 -0.012 0.000 0.700 130 A CB 2.087 21.079 19.000 -0.013 0.000 1.280 130 A HN 0.826 nan 8.150 nan 0.000 0.398 131 Q N 1.026 120.821 119.800 -0.009 0.000 2.379 131 Q HA 0.635 4.975 4.340 -0.000 0.000 0.278 131 Q C -0.014 175.982 176.000 -0.007 0.000 1.068 131 Q CA 0.150 55.949 55.803 -0.007 0.000 0.816 131 Q CB 2.358 31.093 28.738 -0.007 0.000 1.387 131 Q HN 2.451 nan 8.270 nan 0.000 0.413 132 G N 1.663 110.459 108.800 -0.006 0.000 2.255 132 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 132 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 132 G C -1.264 173.633 174.900 -0.005 0.000 1.307 132 G CA -0.804 44.293 45.100 -0.005 0.000 1.162 132 G HN 0.560 nan 8.290 nan 0.000 0.494 133 Q N 0.191 119.988 119.800 -0.005 0.000 2.394 133 Q HA 0.492 4.832 4.340 -0.000 0.000 0.248 133 Q C 1.776 177.773 176.000 -0.005 0.000 0.992 133 Q CA 0.126 55.926 55.803 -0.005 0.000 0.888 133 Q CB 1.341 30.076 28.738 -0.004 0.000 1.257 133 Q HN 1.145 nan 8.270 nan 0.000 0.462 134 A N 1.950 124.767 122.820 -0.005 0.000 1.927 134 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 134 A C 2.148 179.728 177.584 -0.006 0.000 1.185 134 A CA 2.364 54.398 52.037 -0.005 0.000 0.639 134 A CB -0.586 18.412 19.000 -0.005 0.000 0.820 134 A HN 0.749 nan 8.150 nan 0.000 0.451 135 S N 0.094 115.791 115.700 -0.005 0.000 2.359 135 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 135 S C 1.650 176.246 174.600 -0.006 0.000 1.035 135 S CA 1.467 59.663 58.200 -0.005 0.000 1.018 135 S CB -0.480 62.717 63.200 -0.005 0.000 0.876 135 S HN 0.648 nan 8.310 nan 0.000 0.448 136 D N 1.343 121.740 120.400 -0.006 0.000 2.117 136 D HA -0.012 4.628 4.640 -0.000 0.000 0.197 136 D C 1.892 178.187 176.300 -0.008 0.000 0.987 136 D CA 0.823 54.819 54.000 -0.007 0.000 0.829 136 D CB -0.403 40.393 40.800 -0.007 0.000 0.961 136 D HN 0.359 nan 8.370 nan 0.000 0.460 137 I N 1.059 121.624 120.570 -0.008 0.000 2.226 137 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 137 I C 2.519 178.630 176.117 -0.010 0.000 1.100 137 I CA 1.030 62.325 61.300 -0.009 0.000 1.374 137 I CB -0.232 37.762 38.000 -0.009 0.000 1.057 137 I HN 0.024 nan 8.210 nan 0.000 0.413 138 E N 1.744 121.939 120.200 -0.009 0.000 2.038 138 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 138 E C 2.356 178.951 176.600 -0.009 0.000 1.000 138 E CA 1.577 57.972 56.400 -0.009 0.000 0.803 138 E CB -0.081 29.614 29.700 -0.007 0.000 0.750 138 E HN 0.437 nan 8.360 nan 0.000 0.448 139 I N 0.905 121.470 120.570 -0.009 0.000 2.118 139 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 139 I C 2.514 178.624 176.117 -0.011 0.000 1.070 139 I CA 1.241 62.535 61.300 -0.009 0.000 1.327 139 I CB -0.249 37.746 38.000 -0.008 0.000 1.034 139 I HN 0.248 nan 8.210 nan 0.000 0.405 140 I N -0.337 120.227 120.570 -0.011 0.000 2.226 140 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 140 I C 2.772 178.880 176.117 -0.016 0.000 1.100 140 I CA 1.440 62.732 61.300 -0.013 0.000 1.374 140 I CB -0.397 37.595 38.000 -0.013 0.000 1.057 140 I HN 0.224 nan 8.210 nan 0.000 0.413 141 S N 1.063 116.754 115.700 -0.015 0.000 2.359 141 S HA -0.203 4.267 4.470 -0.000 0.000 0.224 141 S C 1.882 176.472 174.600 -0.016 0.000 1.035 141 S CA 1.855 60.045 58.200 -0.017 0.000 1.018 141 S CB -0.301 62.890 63.200 -0.015 0.000 0.876 141 S HN 0.409 nan 8.310 nan 0.000 0.448 142 N N 1.202 119.893 118.700 -0.014 0.000 2.104 142 N HA -0.117 4.623 4.740 -0.000 0.000 0.190 142 N C 1.732 177.233 175.510 -0.014 0.000 1.024 142 N CA 1.481 54.524 53.050 -0.013 0.000 0.853 142 N CB -0.663 37.818 38.487 -0.010 0.000 1.008 142 N HN 0.570 nan 8.380 nan 0.000 0.424 143 E N 0.841 121.032 120.200 -0.015 0.000 2.150 143 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 143 E C 1.767 178.354 176.600 -0.021 0.000 0.985 143 E CA 0.602 56.992 56.400 -0.016 0.000 0.814 143 E CB -0.140 29.551 29.700 -0.015 0.000 0.752 143 E HN 0.186 nan 8.360 nan 0.000 0.466 144 I N 0.550 121.106 120.570 -0.023 0.000 2.252 144 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 144 I C 2.257 178.356 176.117 -0.030 0.000 1.102 144 I CA 0.985 62.267 61.300 -0.030 0.000 1.385 144 I CB -0.906 37.075 38.000 -0.031 0.000 1.064 144 I HN 0.245 nan 8.210 nan 0.000 0.414 145 L N 0.059 121.267 121.223 -0.024 0.000 2.093 145 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 145 L C 2.785 179.644 176.870 -0.019 0.000 1.085 145 L CA 1.008 55.835 54.840 -0.022 0.000 0.755 145 L CB -0.586 41.462 42.059 -0.017 0.000 0.904 145 L HN 0.213 nan 8.230 nan 0.000 0.435 146 R N 0.792 121.282 120.500 -0.017 0.000 2.073 146 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 146 R C 2.323 178.614 176.300 -0.016 0.000 1.134 146 R CA 1.444 57.536 56.100 -0.012 0.000 0.952 146 R CB -0.231 30.063 30.300 -0.010 0.000 0.850 146 R HN 0.298 nan 8.270 nan 0.000 0.433 147 L N 0.801 122.008 121.223 -0.027 0.000 2.131 147 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 147 L C 2.722 179.560 176.870 -0.052 0.000 1.092 147 L CA 1.469 56.283 54.840 -0.043 0.000 0.759 147 L CB -0.420 41.606 42.059 -0.055 0.000 0.903 147 L HN 0.289 nan 8.230 nan 0.000 0.435 148 K N 0.341 120.717 120.400 -0.040 0.000 2.025 148 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 148 K C 2.062 178.652 176.600 -0.018 0.000 1.049 148 K CA 1.426 57.692 56.287 -0.035 0.000 0.933 148 K CB -0.275 32.207 32.500 -0.031 0.000 0.714 148 K HN 0.280 nan 8.250 nan 0.000 0.438 149 G N 1.541 110.335 108.800 -0.011 0.000 2.408 149 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 149 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 149 G C 1.417 176.325 174.900 0.014 0.000 1.150 149 G CA 0.720 45.821 45.100 0.002 0.000 0.776 149 G HN 0.305 nan 8.290 nan 0.000 0.542 150 L N 0.346 121.576 121.223 0.011 0.000 2.012 150 L HA 0.046 4.386 4.340 -0.000 0.000 0.210 150 L C 2.807 179.712 176.870 0.058 0.000 1.073 150 L CA 1.821 56.681 54.840 0.034 0.000 0.748 150 L CB -0.312 41.761 42.059 0.022 0.000 0.891 150 L HN 0.227 nan 8.230 nan 0.000 0.431 151 M N -0.926 118.679 119.600 0.009 0.000 2.254 151 M HA -0.141 4.339 4.480 -0.000 0.000 0.265 151 M C 1.865 178.248 176.300 0.139 0.000 1.066 151 M CA 1.102 56.428 55.300 0.044 0.000 1.123 151 M CB -0.403 32.098 32.600 -0.165 0.000 1.388 151 M HN 0.343 nan 8.290 nan 0.000 0.425 152 N N 0.133 118.874 118.700 0.068 0.000 2.142 152 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 152 N C 1.753 177.298 175.510 0.059 0.000 1.023 152 N CA 1.423 54.510 53.050 0.061 0.000 0.852 152 N CB -0.443 38.060 38.487 0.027 0.000 0.998 152 N HN 0.201 nan 8.380 nan 0.000 0.424 153 S N 1.329 117.062 115.700 0.055 0.000 2.365 153 S HA -0.042 4.428 4.470 -0.000 0.000 0.225 153 S C 2.098 176.728 174.600 0.050 0.000 1.039 153 S CA 0.814 59.042 58.200 0.045 0.000 1.033 153 S CB -0.228 63.002 63.200 0.049 0.000 0.887 153 S HN 0.289 nan 8.310 nan 0.000 0.447 154 I N 0.645 121.268 120.570 0.089 0.000 2.315 154 I HA -0.136 4.034 4.170 -0.000 0.000 0.248 154 I C 2.085 178.183 176.117 -0.032 0.000 1.117 154 I CA 0.717 62.043 61.300 0.044 0.000 1.404 154 I CB -0.311 37.752 38.000 0.104 0.000 1.071 154 I HN 0.224 nan 8.210 nan 0.000 0.419 155 L N 1.033 122.285 121.223 0.048 0.000 2.046 155 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 155 L C 2.693 179.561 176.870 -0.003 0.000 1.077 155 L CA 2.060 56.913 54.840 0.022 0.000 0.747 155 L CB -1.139 40.986 42.059 0.111 0.000 0.896 155 L HN 0.185 nan 8.230 nan 0.000 0.432 156 A N -1.543 121.278 122.820 0.002 0.000 1.902 156 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 156 A C 2.289 179.846 177.584 -0.044 0.000 1.181 156 A CA 1.762 53.783 52.037 -0.027 0.000 0.623 156 A CB -0.546 18.443 19.000 -0.018 0.000 0.818 156 A HN 0.517 nan 8.150 nan 0.000 0.443 157 Q N -0.391 119.389 119.800 -0.034 0.000 2.020 157 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 157 Q C 1.746 177.710 176.000 -0.060 0.000 0.982 157 Q CA 1.805 57.585 55.803 -0.038 0.000 0.838 157 Q CB -0.143 28.583 28.738 -0.019 0.000 0.899 157 Q HN 0.671 nan 8.270 nan 0.000 0.423 158 N N -0.232 118.414 118.700 -0.089 0.000 2.289 158 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 158 N C 1.678 177.136 175.510 -0.087 0.000 1.016 158 N CA 1.567 54.550 53.050 -0.110 0.000 0.872 158 N CB -0.137 38.239 38.487 -0.185 0.000 0.973 158 N HN 0.308 nan 8.380 nan 0.000 0.433 159 S N -1.925 113.730 115.700 -0.076 0.000 2.502 159 S HA 0.323 4.793 4.470 -0.000 0.000 0.215 159 S C 1.535 176.065 174.600 -0.116 0.000 1.009 159 S CA 0.570 58.721 58.200 -0.082 0.000 0.908 159 S CB 0.576 63.733 63.200 -0.073 0.000 0.801 159 S HN 0.368 nan 8.310 nan 0.000 0.505 160 G N 0.799 109.538 108.800 -0.102 0.000 2.195 160 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.246 160 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.246 160 G C 0.077 174.903 174.900 -0.123 0.000 0.984 160 G CA 0.139 45.181 45.100 -0.098 0.000 0.633 160 G HN 0.518 nan 8.290 nan 0.000 0.525 161 Q N 1.039 120.734 119.800 -0.175 0.000 2.471 161 Q HA 0.507 4.847 4.340 -0.000 0.000 0.223 161 Q C 1.036 176.968 176.000 -0.113 0.000 1.045 161 Q CA 0.562 56.246 55.803 -0.199 0.000 0.956 161 Q CB 1.061 29.605 28.738 -0.325 0.000 1.249 161 Q HN 0.830 nan 8.270 nan 0.000 0.549 162 S N 0.274 115.918 115.700 -0.094 0.000 2.617 162 S HA 0.145 4.615 4.470 -0.000 0.000 0.269 162 S C 1.106 175.680 174.600 -0.042 0.000 1.292 162 S CA -0.830 57.336 58.200 -0.057 0.000 1.010 162 S CB 0.670 63.842 63.200 -0.047 0.000 0.944 162 S HN 0.620 nan 8.310 nan 0.000 0.536 163 L N 1.156 122.362 121.223 -0.027 0.000 2.012 163 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 163 L C 2.350 179.210 176.870 -0.018 0.000 1.073 163 L CA 2.150 56.980 54.840 -0.016 0.000 0.748 163 L CB -1.701 40.352 42.059 -0.009 0.000 0.891 163 L HN 0.924 nan 8.230 nan 0.000 0.431 164 E N -0.712 119.476 120.200 -0.021 0.000 2.118 164 E HA -0.316 4.034 4.350 -0.000 0.000 0.195 164 E C 2.050 178.633 176.600 -0.028 0.000 0.992 164 E CA 1.434 57.821 56.400 -0.022 0.000 0.804 164 E CB -0.042 29.646 29.700 -0.020 0.000 0.741 164 E HN 0.468 nan 8.360 nan 0.000 0.458 165 Q N 0.640 120.420 119.800 -0.034 0.000 2.079 165 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 165 Q C 1.992 177.971 176.000 -0.034 0.000 0.974 165 Q CA 1.181 56.961 55.803 -0.038 0.000 0.840 165 Q CB 0.033 28.739 28.738 -0.054 0.000 0.898 165 Q HN 0.204 nan 8.270 nan 0.000 0.430 166 I N 0.296 120.855 120.570 -0.018 0.000 2.202 166 I HA -0.167 4.003 4.170 -0.000 0.000 0.242 166 I C 2.182 178.280 176.117 -0.031 0.000 1.091 166 I CA 1.347 62.650 61.300 0.005 0.000 1.368 166 I CB -1.730 36.285 38.000 0.026 0.000 1.058 166 I HN 0.297 nan 8.210 nan 0.000 0.410 167 A N 0.992 123.797 122.820 -0.026 0.000 1.940 167 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 167 A C 2.356 179.913 177.584 -0.046 0.000 1.176 167 A CA 1.755 53.775 52.037 -0.028 0.000 0.631 167 A CB -0.465 18.523 19.000 -0.020 0.000 0.814 167 A HN 0.409 nan 8.150 nan 0.000 0.446 168 K N -0.694 119.670 120.400 -0.060 0.000 2.076 168 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 168 K C 1.365 177.888 176.600 -0.129 0.000 1.051 168 K CA 1.163 57.408 56.287 -0.070 0.000 0.949 168 K CB -0.201 32.266 32.500 -0.056 0.000 0.726 168 K HN 0.335 nan 8.250 nan 0.000 0.443 169 D N 0.493 120.755 120.400 -0.230 0.000 2.219 169 D HA -0.101 4.539 4.640 -0.000 0.000 0.205 169 D C 1.678 177.734 176.300 -0.406 0.000 0.970 169 D CA 1.451 55.130 54.000 -0.534 0.000 0.851 169 D CB -0.120 40.139 40.800 -0.903 0.000 0.943 169 D HN 0.339 nan 8.370 nan 0.000 0.488 170 T N -2.417 112.027 114.554 -0.184 0.000 3.086 170 T HA 0.020 4.370 4.350 -0.000 0.000 0.250 170 T C 1.268 175.965 174.700 -0.005 0.000 1.074 170 T CA -0.032 62.036 62.100 -0.053 0.000 0.988 170 T CB 0.384 69.249 68.868 -0.006 0.000 0.988 170 T HN -0.188 nan 8.240 nan 0.000 0.530 171 D N 1.651 122.034 120.400 -0.028 0.000 2.190 171 D HA -0.056 4.583 4.640 -0.000 0.000 0.200 171 D C 0.963 177.268 176.300 0.010 0.000 0.992 171 D CA 1.105 55.098 54.000 -0.012 0.000 0.854 171 D CB 0.280 41.071 40.800 -0.014 0.000 0.936 171 D HN 0.472 nan 8.370 nan 0.000 0.462 172 R N -0.701 119.826 120.500 0.044 0.000 2.817 172 R HA 0.261 4.601 4.340 -0.000 0.000 0.268 172 R C -1.240 175.145 176.300 0.141 0.000 1.027 172 R CA -0.924 55.223 56.100 0.078 0.000 0.928 172 R CB 0.948 31.297 30.300 0.082 0.000 1.228 172 R HN -0.100 nan 8.270 nan 0.000 0.469 173 D N 1.387 121.887 120.400 0.167 0.000 2.581 173 D HA -0.076 4.564 4.640 -0.000 0.000 0.238 173 D C -0.928 175.458 176.300 0.143 0.000 1.145 173 D CA 1.085 55.164 54.000 0.131 0.000 0.866 173 D CB 0.124 41.045 40.800 0.202 0.000 1.151 173 D HN 0.164 nan 8.370 nan 0.000 0.500 174 F N 4.199 124.033 119.950 -0.193 0.000 2.359 174 F HA 0.250 4.777 4.527 -0.000 0.000 0.370 174 F C -1.042 174.599 175.800 -0.265 0.000 1.077 174 F CA -0.904 57.003 58.000 -0.154 0.000 1.136 174 F CB 0.023 38.929 39.000 -0.158 0.000 1.387 174 F HN 0.178 nan 8.300 nan 0.000 0.468 175 Y N 5.158 125.274 120.300 -0.306 0.000 2.304 175 Y HA 0.594 5.144 4.550 -0.000 0.000 0.327 175 Y C 0.317 175.952 175.900 -0.441 0.000 1.209 175 Y CA -0.094 57.834 58.100 -0.287 0.000 1.299 175 Y CB 1.136 39.494 38.460 -0.169 0.000 1.249 175 Y HN 0.424 nan 8.280 nan 0.000 0.519 176 M N 1.174 120.687 119.600 -0.145 0.000 2.520 176 M HA 0.326 4.806 4.480 -0.000 0.000 0.280 176 M C -0.758 175.503 176.300 -0.064 0.000 1.232 176 M CA -0.827 54.367 55.300 -0.177 0.000 0.892 176 M CB 2.524 34.985 32.600 -0.232 0.000 1.728 176 M HN 0.652 nan 8.290 nan 0.000 0.475 177 S N 0.522 116.189 115.700 -0.056 0.000 2.669 177 S HA 0.666 5.136 4.470 -0.000 0.000 0.270 177 S C 0.973 175.559 174.600 -0.023 0.000 1.225 177 S CA -0.175 58.010 58.200 -0.025 0.000 0.991 177 S CB 1.400 64.586 63.200 -0.024 0.000 0.987 177 S HN 0.803 nan 8.310 nan 0.000 0.552 178 A N 1.095 123.904 122.820 -0.019 0.000 1.908 178 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 178 A C 2.134 179.716 177.584 -0.004 0.000 1.181 178 A CA 1.944 53.975 52.037 -0.011 0.000 0.627 178 A CB -0.997 17.990 19.000 -0.021 0.000 0.818 178 A HN 0.943 nan 8.150 nan 0.000 0.445 179 K N -0.193 120.199 120.400 -0.014 0.000 2.097 179 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 179 K C 1.807 178.418 176.600 0.019 0.000 1.049 179 K CA 1.687 57.974 56.287 0.000 0.000 0.933 179 K CB -0.165 32.329 32.500 -0.009 0.000 0.717 179 K HN 0.648 nan 8.250 nan 0.000 0.442 180 E N -0.170 120.035 120.200 0.009 0.000 2.152 180 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 180 E C 1.898 178.536 176.600 0.064 0.000 0.983 180 E CA 0.754 57.169 56.400 0.026 0.000 0.818 180 E CB -0.003 29.682 29.700 -0.026 0.000 0.758 180 E HN 0.405 nan 8.360 nan 0.000 0.467 181 A N 1.863 124.703 122.820 0.034 0.000 1.930 181 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 181 A C 2.074 179.724 177.584 0.110 0.000 1.175 181 A CA 1.401 53.475 52.037 0.062 0.000 0.627 181 A CB -0.290 18.721 19.000 0.018 0.000 0.815 181 A HN 0.055 nan 8.150 nan 0.000 0.443 182 K N 0.073 120.516 120.400 0.072 0.000 2.025 182 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 182 K C 1.706 178.352 176.600 0.077 0.000 1.049 182 K CA 1.570 57.894 56.287 0.062 0.000 0.933 182 K CB -0.225 32.302 32.500 0.044 0.000 0.714 182 K HN 0.584 nan 8.250 nan 0.000 0.438 183 E N -0.782 119.470 120.200 0.088 0.000 2.333 183 E HA -0.208 4.142 4.350 -0.000 0.000 0.198 183 E C 1.483 178.161 176.600 0.129 0.000 1.007 183 E CA 0.820 57.273 56.400 0.089 0.000 0.845 183 E CB -0.049 29.702 29.700 0.086 0.000 0.766 183 E HN 0.402 nan 8.360 nan 0.000 0.507 184 Y N -0.098 120.221 120.300 0.032 0.000 2.476 184 Y HA 0.115 4.665 4.550 -0.000 0.000 0.283 184 Y C 1.591 177.503 175.900 0.019 0.000 1.109 184 Y CA 1.175 59.303 58.100 0.046 0.000 1.246 184 Y CB 0.901 39.414 38.460 0.088 0.000 1.068 184 Y HN 0.066 nan 8.280 nan 0.000 0.552 185 G N -0.570 108.284 108.800 0.090 0.000 2.192 185 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.193 185 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.193 185 G C 0.888 175.808 174.900 0.034 0.000 0.999 185 G CA 0.294 45.398 45.100 0.006 0.000 0.659 185 G HN 0.338 nan 8.290 nan 0.000 0.503 186 L N 0.451 121.740 121.223 0.110 0.000 2.179 186 L HA 0.348 4.688 4.340 -0.000 0.000 0.208 186 L C 1.636 178.498 176.870 -0.014 0.000 1.096 186 L CA 1.410 56.284 54.840 0.056 0.000 0.779 186 L CB -0.291 41.824 42.059 0.092 0.000 0.922 186 L HN 0.607 nan 8.230 nan 0.000 0.443 187 I N -5.890 114.677 120.570 -0.006 0.000 3.074 187 I HA 0.365 4.535 4.170 -0.000 0.000 0.310 187 I C -0.268 175.827 176.117 -0.036 0.000 1.153 187 I CA -0.815 60.459 61.300 -0.044 0.000 0.993 187 I CB 1.915 39.906 38.000 -0.016 0.000 1.237 187 I HN -0.235 nan 8.210 nan 0.000 0.443 188 D N 0.921 121.279 120.400 -0.071 0.000 2.324 188 D HA 0.119 4.759 4.640 -0.000 0.000 0.212 188 D C 0.173 176.510 176.300 0.063 0.000 0.984 188 D CA 1.019 55.001 54.000 -0.031 0.000 0.885 188 D CB 0.845 41.587 40.800 -0.098 0.000 0.996 188 D HN 0.510 nan 8.370 nan 0.000 0.505 189 K N 0.208 120.698 120.400 0.151 0.000 2.556 189 K HA 0.390 4.710 4.320 -0.000 0.000 0.274 189 K C -1.946 174.769 176.600 0.192 0.000 0.966 189 K CA -0.561 55.844 56.287 0.197 0.000 0.865 189 K CB 2.615 35.279 32.500 0.274 0.000 1.444 189 K HN -0.318 nan 8.250 nan 0.000 0.433 190 V N 3.866 123.835 119.914 0.091 0.000 2.378 190 V HA 0.290 4.410 4.120 -0.000 0.000 0.288 190 V C -0.288 175.805 176.094 -0.001 0.000 1.016 190 V CA -1.034 61.293 62.300 0.044 0.000 0.840 190 V CB 1.335 33.162 31.823 0.006 0.000 0.994 190 V HN 0.611 nan 8.190 nan 0.000 0.431 191 L N 6.080 127.285 121.223 -0.029 0.000 2.617 191 L HA 0.146 4.486 4.340 -0.000 0.000 0.282 191 L C 0.995 177.837 176.870 -0.046 0.000 1.174 191 L CA 0.596 55.393 54.840 -0.072 0.000 1.016 191 L CB -0.856 41.144 42.059 -0.097 0.000 1.337 191 L HN 0.701 nan 8.230 nan 0.000 0.460 192 Q N 0.000 119.775 119.800 -0.041 0.000 2.315 192 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 192 Q CA 0.000 55.783 55.803 -0.033 0.000 1.022 192 Q CB 0.000 28.723 28.738 -0.025 0.000 1.108 192 Q HN 0.000 nan 8.270 nan 0.000 0.481