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 2zl0_1_H DATA FIRST_RESID 20 DATA SEQUENCE DIYSRLLKDR IVLLSGEIND SVASSIVAQL LFLEAEDPEK DIGLYINSPG DATA SEQUENCE GVITSGLSIY DTMNFIRPDV STICIGQAAS 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 0.000 176.274 176.300 -0.044 0.000 2.045 20 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 20 D CB 0.000 40.821 40.800 0.035 0.000 0.688 21 I N 3.493 123.980 120.570 -0.138 0.000 2.181 21 I HA -0.282 3.888 4.170 -0.000 0.000 0.247 21 I C 1.000 176.947 176.117 -0.283 0.000 1.081 21 I CA 1.972 63.115 61.300 -0.261 0.000 1.340 21 I CB -0.211 37.528 38.000 -0.435 0.000 1.036 21 I HN 0.567 nan 8.210 nan 0.000 0.417 22 Y N 0.369 120.660 120.300 -0.016 0.000 2.153 22 Y HA -0.181 4.369 4.550 -0.000 0.000 0.289 22 Y C 2.966 178.862 175.900 -0.006 0.000 1.127 22 Y CA 1.537 59.630 58.100 -0.012 0.000 1.131 22 Y CB -1.436 37.019 38.460 -0.008 0.000 0.995 22 Y HN 0.337 nan 8.280 nan 0.000 0.505 23 S N 0.282 116.062 115.700 0.134 0.000 2.440 23 S HA -0.217 4.253 4.470 -0.000 0.000 0.238 23 S C 2.129 176.758 174.600 0.049 0.000 1.010 23 S CA 1.109 59.349 58.200 0.066 0.000 0.972 23 S CB -0.277 62.939 63.200 0.026 0.000 0.774 23 S HN 0.302 nan 8.310 nan 0.000 0.501 24 R N 1.438 121.951 120.500 0.023 0.000 2.075 24 R HA 0.222 4.562 4.340 -0.000 0.000 0.226 24 R C 2.187 178.497 176.300 0.017 0.000 1.114 24 R CA 1.156 57.261 56.100 0.009 0.000 0.972 24 R CB -0.922 29.363 30.300 -0.025 0.000 0.869 24 R HN 0.553 nan 8.270 nan 0.000 0.437 25 L N 0.910 122.138 121.223 0.008 0.000 2.201 25 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 25 L C 2.420 179.325 176.870 0.059 0.000 1.105 25 L CA 0.380 55.226 54.840 0.010 0.000 0.775 25 L CB -0.408 41.643 42.059 -0.012 0.000 0.913 25 L HN 0.129 nan 8.230 nan 0.000 0.440 26 L N 0.514 121.794 121.223 0.094 0.000 2.131 26 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 26 L C 2.414 179.375 176.870 0.152 0.000 1.092 26 L CA 1.702 56.625 54.840 0.139 0.000 0.759 26 L CB -0.505 41.642 42.059 0.148 0.000 0.903 26 L HN 0.134 nan 8.230 nan 0.000 0.435 27 K N -0.988 119.482 120.400 0.118 0.000 2.504 27 K HA -0.092 4.228 4.320 -0.000 0.000 0.195 27 K C 0.145 176.787 176.600 0.070 0.000 1.036 27 K CA 1.114 57.466 56.287 0.109 0.000 0.984 27 K CB 0.048 32.595 32.500 0.079 0.000 0.788 27 K HN 0.357 nan 8.250 nan 0.000 0.488 28 D N 0.457 120.893 120.400 0.060 0.000 2.538 28 D HA 0.111 4.751 4.640 -0.000 0.000 0.231 28 D C -0.337 175.996 176.300 0.055 0.000 1.229 28 D CA -0.106 53.919 54.000 0.042 0.000 0.828 28 D CB 0.589 41.403 40.800 0.024 0.000 1.035 28 D HN 0.121 nan 8.370 nan 0.000 0.495 29 R N -0.148 120.395 120.500 0.073 0.000 3.989 29 R HA -0.167 4.173 4.340 -0.000 0.000 0.377 29 R C -0.092 176.277 176.300 0.114 0.000 1.158 29 R CA 0.520 56.669 56.100 0.082 0.000 1.035 29 R CB -2.289 28.045 30.300 0.057 0.000 1.557 29 R HN 0.312 nan 8.270 nan 0.000 0.551 30 I N 1.749 122.387 120.570 0.114 0.000 2.342 30 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 30 I C 0.549 176.757 176.117 0.151 0.000 1.010 30 I CA -0.525 60.859 61.300 0.140 0.000 1.308 30 I CB 1.574 39.597 38.000 0.038 0.000 1.400 30 I HN -0.236 nan 8.210 nan 0.000 0.488 31 V N 7.639 127.675 119.914 0.203 0.000 2.444 31 V HA 0.359 4.479 4.120 -0.000 0.000 0.294 31 V C -0.333 175.882 176.094 0.202 0.000 1.022 31 V CA -0.644 61.761 62.300 0.175 0.000 0.850 31 V CB 1.853 33.765 31.823 0.149 0.000 0.992 31 V HN 0.375 nan 8.190 nan 0.000 0.426 32 L N 5.455 126.769 121.223 0.151 0.000 2.282 32 L HA 0.558 4.898 4.340 -0.000 0.000 0.288 32 L C -0.470 176.445 176.870 0.075 0.000 1.033 32 L CA -0.204 54.721 54.840 0.142 0.000 0.807 32 L CB 1.482 43.624 42.059 0.137 0.000 1.209 32 L HN 0.613 nan 8.230 nan 0.000 0.423 33 L N 4.666 125.944 121.223 0.091 0.000 2.356 33 L HA 0.604 4.944 4.340 -0.000 0.000 0.264 33 L C -0.216 176.683 176.870 0.050 0.000 1.029 33 L CA 0.006 54.879 54.840 0.054 0.000 0.897 33 L CB 0.703 42.800 42.059 0.064 0.000 1.256 33 L HN 0.629 nan 8.230 nan 0.000 0.444 34 S N 2.730 118.444 115.700 0.024 0.000 2.532 34 S HA 0.997 5.467 4.470 -0.000 0.000 0.301 34 S C 0.284 174.892 174.600 0.012 0.000 1.083 34 S CA -0.099 58.118 58.200 0.027 0.000 1.025 34 S CB 1.623 64.842 63.200 0.032 0.000 1.056 34 S HN 1.717 nan 8.310 nan 0.000 0.494 35 G N 1.477 110.288 108.800 0.019 0.000 2.750 35 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.228 35 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.228 35 G C -0.736 174.172 174.900 0.012 0.000 1.367 35 G CA -0.562 44.546 45.100 0.013 0.000 0.871 35 G HN 0.919 nan 8.290 nan 0.000 0.560 36 E N -0.494 119.712 120.200 0.010 0.000 2.534 36 E HA 0.174 4.524 4.350 -0.000 0.000 0.264 36 E C 0.771 177.378 176.600 0.011 0.000 0.981 36 E CA 0.555 56.962 56.400 0.011 0.000 0.948 36 E CB 0.319 30.025 29.700 0.010 0.000 0.934 36 E HN 0.484 nan 8.360 nan 0.000 0.459 37 I N 3.322 123.901 120.570 0.015 0.000 2.377 37 I HA 0.221 4.391 4.170 -0.000 0.000 0.293 37 I C 0.127 176.254 176.117 0.018 0.000 0.987 37 I CA -0.630 60.682 61.300 0.019 0.000 1.185 37 I CB 1.104 39.121 38.000 0.028 0.000 1.341 37 I HN 0.494 nan 8.210 nan 0.000 0.455 38 N N 2.467 121.177 118.700 0.016 0.000 3.020 38 N HA 0.237 4.977 4.740 -0.000 0.000 0.248 38 N C -0.192 175.326 175.510 0.014 0.000 1.480 38 N CA -0.772 52.286 53.050 0.014 0.000 0.874 38 N CB 0.534 39.027 38.487 0.009 0.000 1.433 38 N HN 0.242 nan 8.380 nan 0.000 0.530 39 D N -0.258 120.149 120.400 0.012 0.000 2.170 39 D HA -0.253 4.387 4.640 -0.000 0.000 0.193 39 D C 1.444 177.750 176.300 0.010 0.000 1.004 39 D CA 2.056 56.063 54.000 0.012 0.000 0.860 39 D CB -0.325 40.480 40.800 0.008 0.000 0.931 39 D HN 0.525 nan 8.370 nan 0.000 0.448 40 S N -0.137 115.566 115.700 0.006 0.000 2.345 40 S HA -0.120 4.350 4.470 -0.000 0.000 0.220 40 S C 2.212 176.813 174.600 0.001 0.000 1.031 40 S CA 1.160 59.361 58.200 0.002 0.000 0.996 40 S CB -0.335 62.864 63.200 -0.002 0.000 0.882 40 S HN 0.073 nan 8.310 nan 0.000 0.445 41 V N 2.181 122.096 119.914 0.001 0.000 2.407 41 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 41 V C 2.896 178.996 176.094 0.011 0.000 1.055 41 V CA 1.826 64.126 62.300 -0.001 0.000 1.049 41 V CB -1.306 30.517 31.823 0.000 0.000 0.662 41 V HN 0.640 nan 8.190 nan 0.000 0.455 42 A N -1.175 121.657 122.820 0.020 0.000 1.968 42 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 42 A C 2.485 180.089 177.584 0.033 0.000 1.169 42 A CA 1.780 53.837 52.037 0.033 0.000 0.638 42 A CB -0.551 18.473 19.000 0.039 0.000 0.812 42 A HN 0.458 nan 8.150 nan 0.000 0.446 43 S N -0.735 114.980 115.700 0.024 0.000 2.453 43 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 43 S C 2.199 176.814 174.600 0.025 0.000 1.005 43 S CA 1.578 59.793 58.200 0.024 0.000 0.949 43 S CB -0.329 62.881 63.200 0.016 0.000 0.774 43 S HN 0.637 nan 8.310 nan 0.000 0.510 44 S N 0.561 116.272 115.700 0.017 0.000 2.406 44 S HA 0.070 4.540 4.470 -0.000 0.000 0.224 44 S C 1.768 176.385 174.600 0.029 0.000 1.030 44 S CA 0.586 58.793 58.200 0.011 0.000 0.958 44 S CB -0.288 62.906 63.200 -0.011 0.000 0.811 44 S HN 0.479 nan 8.310 nan 0.000 0.489 45 I N 1.829 122.420 120.570 0.036 0.000 2.315 45 I HA -0.047 4.123 4.170 -0.000 0.000 0.248 45 I C 2.402 178.564 176.117 0.074 0.000 1.117 45 I CA 0.816 62.150 61.300 0.056 0.000 1.404 45 I CB -1.490 36.546 38.000 0.059 0.000 1.071 45 I HN 0.195 nan 8.210 nan 0.000 0.419 46 V N 1.541 121.497 119.914 0.070 0.000 2.295 46 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 46 V C 2.873 179.025 176.094 0.097 0.000 1.049 46 V CA 1.912 64.262 62.300 0.083 0.000 1.024 46 V CB -1.147 30.718 31.823 0.070 0.000 0.648 46 V HN 0.447 nan 8.190 nan 0.000 0.447 47 A N -0.643 122.227 122.820 0.083 0.000 1.883 47 A HA -0.318 4.002 4.320 -0.000 0.000 0.217 47 A C 2.167 179.836 177.584 0.141 0.000 1.186 47 A CA 2.168 54.261 52.037 0.094 0.000 0.624 47 A CB -0.545 18.488 19.000 0.055 0.000 0.822 47 A HN 0.662 nan 8.150 nan 0.000 0.444 48 Q N -0.514 119.364 119.800 0.129 0.000 2.124 48 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 48 Q C 2.064 178.190 176.000 0.211 0.000 0.977 48 Q CA 1.325 57.244 55.803 0.194 0.000 0.850 48 Q CB -0.328 28.494 28.738 0.140 0.000 0.901 48 Q HN 0.679 nan 8.270 nan 0.000 0.429 49 L N 0.198 121.507 121.223 0.144 0.000 2.093 49 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 49 L C 2.194 179.120 176.870 0.092 0.000 1.085 49 L CA 0.815 55.721 54.840 0.110 0.000 0.755 49 L CB -0.270 41.849 42.059 0.100 0.000 0.904 49 L HN 0.250 nan 8.230 nan 0.000 0.435 50 L N -1.566 119.729 121.223 0.120 0.000 2.109 50 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 50 L C 2.494 179.418 176.870 0.089 0.000 1.086 50 L CA 0.911 55.808 54.840 0.095 0.000 0.760 50 L CB -0.491 41.644 42.059 0.126 0.000 0.910 50 L HN 0.172 nan 8.230 nan 0.000 0.437 51 F N 0.847 120.811 119.950 0.024 0.000 2.113 51 F HA -0.165 4.362 4.527 -0.000 0.000 0.297 51 F C 2.147 177.956 175.800 0.014 0.000 1.103 51 F CA 1.411 59.422 58.000 0.019 0.000 1.248 51 F CB -0.255 38.759 39.000 0.024 0.000 0.999 51 F HN -0.149 nan 8.300 nan 0.000 0.475 52 L N 0.282 121.405 121.223 -0.167 0.000 2.131 52 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 52 L C 2.541 179.260 176.870 -0.251 0.000 1.092 52 L CA 1.857 56.537 54.840 -0.267 0.000 0.759 52 L CB -0.782 41.263 42.059 -0.024 0.000 0.903 52 L HN 0.331 nan 8.230 nan 0.000 0.435 53 E N 0.515 120.619 120.200 -0.159 0.000 2.047 53 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 53 E C 2.214 178.712 176.600 -0.170 0.000 0.987 53 E CA 1.188 57.505 56.400 -0.139 0.000 0.799 53 E CB -0.027 29.607 29.700 -0.110 0.000 0.752 53 E HN 0.431 nan 8.360 nan 0.000 0.449 54 A N 1.063 123.771 122.820 -0.187 0.000 2.019 54 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 54 A C 1.918 179.376 177.584 -0.209 0.000 1.164 54 A CA 1.354 53.294 52.037 -0.162 0.000 0.644 54 A CB -0.368 18.571 19.000 -0.101 0.000 0.805 54 A HN 0.244 nan 8.150 nan 0.000 0.449 55 E N -0.477 119.512 120.200 -0.351 0.000 2.152 55 E HA -0.034 4.316 4.350 -0.000 0.000 0.192 55 E C -0.352 176.140 176.600 -0.179 0.000 0.983 55 E CA 0.837 57.050 56.400 -0.312 0.000 0.818 55 E CB 0.108 29.518 29.700 -0.483 0.000 0.758 55 E HN 0.560 nan 8.360 nan 0.000 0.467 56 D N -1.418 118.884 120.400 -0.163 0.000 2.192 56 D HA 0.023 4.663 4.640 -0.000 0.000 0.200 56 D C -2.497 173.747 176.300 -0.094 0.000 1.281 56 D CA -0.854 53.083 54.000 -0.104 0.000 0.895 56 D CB 1.137 41.887 40.800 -0.082 0.000 1.643 56 D HN -0.178 nan 8.370 nan 0.000 0.510 57 P HA 0.044 nan 4.420 nan 0.000 0.249 57 P C 0.525 177.789 177.300 -0.059 0.000 1.241 57 P CA 0.395 63.448 63.100 -0.080 0.000 0.781 57 P CB 0.847 32.496 31.700 -0.085 0.000 1.088 58 E N 0.583 120.754 120.200 -0.049 0.000 2.134 58 E HA 0.097 4.447 4.350 -0.000 0.000 0.194 58 E C 0.630 177.215 176.600 -0.025 0.000 0.937 58 E CA 0.333 56.713 56.400 -0.034 0.000 0.874 58 E CB -0.389 29.293 29.700 -0.030 0.000 0.853 58 E HN 0.298 nan 8.360 nan 0.000 0.471 59 K N 2.259 122.644 120.400 -0.025 0.000 2.518 59 K HA -0.013 4.307 4.320 -0.000 0.000 0.276 59 K C -0.110 176.487 176.600 -0.005 0.000 0.974 59 K CA 0.131 56.411 56.287 -0.013 0.000 0.986 59 K CB 0.239 32.730 32.500 -0.015 0.000 0.901 59 K HN -0.001 nan 8.250 nan 0.000 0.497 60 D N 1.403 121.809 120.400 0.011 0.000 2.368 60 D HA 0.114 4.754 4.640 -0.000 0.000 0.240 60 D C 0.121 176.442 176.300 0.035 0.000 1.169 60 D CA 0.108 54.123 54.000 0.025 0.000 0.906 60 D CB 0.540 41.364 40.800 0.041 0.000 1.187 60 D HN 0.158 nan 8.370 nan 0.000 0.435 61 I N 0.442 121.040 120.570 0.046 0.000 2.441 61 I HA 0.378 4.548 4.170 -0.000 0.000 0.295 61 I C 0.800 176.969 176.117 0.086 0.000 0.994 61 I CA -0.775 60.564 61.300 0.065 0.000 1.144 61 I CB 1.251 39.287 38.000 0.059 0.000 1.314 61 I HN 0.244 nan 8.210 nan 0.000 0.445 62 G N 5.937 114.815 108.800 0.129 0.000 2.468 62 G HA2 0.527 4.487 3.960 -0.000 0.000 0.315 62 G HA3 0.527 4.487 3.960 -0.000 0.000 0.315 62 G C -1.228 173.798 174.900 0.210 0.000 1.203 62 G CA -0.298 44.896 45.100 0.157 0.000 0.962 62 G HN 0.410 nan 8.290 nan 0.000 0.476 63 L N 3.637 124.910 121.223 0.084 0.000 2.283 63 L HA 0.545 4.885 4.340 -0.000 0.000 0.281 63 L C -1.162 175.733 176.870 0.042 0.000 1.033 63 L CA -1.260 53.656 54.840 0.127 0.000 0.848 63 L CB 0.104 42.213 42.059 0.083 0.000 1.226 63 L HN 0.449 nan 8.230 nan 0.000 0.429 64 Y N 5.486 125.827 120.300 0.068 0.000 2.335 64 Y HA 0.491 5.041 4.550 -0.000 0.000 0.331 64 Y C 0.254 176.187 175.900 0.056 0.000 1.094 64 Y CA -0.400 57.738 58.100 0.064 0.000 1.253 64 Y CB 0.709 39.206 38.460 0.062 0.000 1.203 64 Y HN 0.390 nan 8.280 nan 0.000 0.508 65 I N 3.321 123.968 120.570 0.130 0.000 2.436 65 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 65 I C -0.598 175.568 176.117 0.082 0.000 1.010 65 I CA -0.596 60.758 61.300 0.091 0.000 1.098 65 I CB 1.824 39.853 38.000 0.047 0.000 1.266 65 I HN 0.644 nan 8.210 nan 0.000 0.434 66 N N 4.210 122.955 118.700 0.074 0.000 2.675 66 N HA 0.350 5.090 4.740 -0.000 0.000 0.254 66 N C -1.482 174.054 175.510 0.043 0.000 1.224 66 N CA -0.081 53.006 53.050 0.061 0.000 0.777 66 N CB 0.936 39.466 38.487 0.072 0.000 1.256 66 N HN 0.610 nan 8.380 nan 0.000 0.531 67 S N 2.584 118.302 115.700 0.030 0.000 2.543 67 S HA 0.497 4.967 4.470 -0.000 0.000 0.271 67 S C -2.643 171.958 174.600 0.002 0.000 1.148 67 S CA -1.065 57.146 58.200 0.019 0.000 0.914 67 S CB 1.900 65.113 63.200 0.022 0.000 1.096 67 S HN 0.368 nan 8.310 nan 0.000 0.471 68 P HA 0.333 nan 4.420 nan 0.000 0.258 68 P C 0.863 178.140 177.300 -0.038 0.000 1.416 68 P CA 0.696 63.785 63.100 -0.019 0.000 0.927 68 P CB -0.277 31.426 31.700 0.004 0.000 1.444 69 G N -0.914 107.872 108.800 -0.024 0.000 2.512 69 G HA2 0.224 4.184 3.960 -0.000 0.000 0.210 69 G HA3 0.224 4.184 3.960 -0.000 0.000 0.210 69 G C -0.188 174.716 174.900 0.006 0.000 1.295 69 G CA -0.361 44.728 45.100 -0.018 0.000 0.934 69 G HN 0.629 nan 8.290 nan 0.000 0.554 70 G N -2.818 105.991 108.800 0.015 0.000 2.513 70 G HA2 0.549 4.509 3.960 -0.000 0.000 0.182 70 G HA3 0.549 4.509 3.960 -0.000 0.000 0.182 70 G C -0.496 174.416 174.900 0.021 0.000 1.190 70 G CA 0.652 45.764 45.100 0.020 0.000 0.987 70 G HN 1.861 nan 8.290 nan 0.000 0.479 71 V N 2.268 122.192 119.914 0.017 0.000 2.585 71 V HA 0.173 4.293 4.120 -0.000 0.000 0.296 71 V C 1.927 178.025 176.094 0.008 0.000 1.035 71 V CA 0.323 62.630 62.300 0.011 0.000 1.084 71 V CB 0.814 32.644 31.823 0.011 0.000 0.953 71 V HN 0.587 nan 8.190 nan 0.000 0.483 72 I N 3.576 124.142 120.570 -0.007 0.000 2.113 72 I HA -0.213 3.957 4.170 -0.000 0.000 0.238 72 I C 2.661 178.773 176.117 -0.008 0.000 1.070 72 I CA 1.945 63.228 61.300 -0.029 0.000 1.332 72 I CB -0.724 37.243 38.000 -0.054 0.000 1.044 72 I HN 0.919 nan 8.210 nan 0.000 0.402 73 T N -1.569 112.985 114.554 0.000 0.000 2.759 73 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 73 T C 1.952 176.672 174.700 0.033 0.000 1.042 73 T CA 1.719 63.828 62.100 0.016 0.000 1.140 73 T CB -0.595 68.278 68.868 0.008 0.000 0.864 73 T HN 0.254 nan 8.240 nan 0.000 0.455 74 S N 1.533 117.250 115.700 0.029 0.000 2.368 74 S HA 0.075 4.545 4.470 -0.000 0.000 0.225 74 S C 2.454 177.091 174.600 0.063 0.000 1.030 74 S CA 1.007 59.230 58.200 0.038 0.000 0.999 74 S CB -1.151 62.066 63.200 0.029 0.000 0.844 74 S HN 0.774 nan 8.310 nan 0.000 0.459 75 G N 2.029 110.869 108.800 0.067 0.000 2.421 75 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 75 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 75 G C 1.289 176.298 174.900 0.183 0.000 1.171 75 G CA 0.620 45.785 45.100 0.110 0.000 0.775 75 G HN 0.453 nan 8.290 nan 0.000 0.543 76 L N 1.711 123.035 121.223 0.169 0.000 2.191 76 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 76 L C 3.232 180.216 176.870 0.190 0.000 1.103 76 L CA 1.298 56.298 54.840 0.268 0.000 0.769 76 L CB -0.418 41.756 42.059 0.191 0.000 0.908 76 L HN 0.455 nan 8.230 nan 0.000 0.438 77 S N 0.074 115.841 115.700 0.111 0.000 2.402 77 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 77 S C 1.849 176.496 174.600 0.078 0.000 1.021 77 S CA 0.753 58.990 58.200 0.061 0.000 0.974 77 S CB -0.403 62.822 63.200 0.042 0.000 0.800 77 S HN 0.389 nan 8.310 nan 0.000 0.484 78 I N 0.231 120.875 120.570 0.123 0.000 2.162 78 I HA -0.057 4.113 4.170 -0.000 0.000 0.238 78 I C 2.550 178.769 176.117 0.169 0.000 1.076 78 I CA 1.530 62.909 61.300 0.131 0.000 1.353 78 I CB -0.740 37.340 38.000 0.133 0.000 1.063 78 I HN 0.298 nan 8.210 nan 0.000 0.408 79 Y N 2.468 122.821 120.300 0.089 0.000 2.069 79 Y HA -0.374 4.176 4.550 -0.000 0.000 0.278 79 Y C 1.996 177.936 175.900 0.066 0.000 1.175 79 Y CA 1.984 60.131 58.100 0.077 0.000 1.134 79 Y CB -0.908 37.643 38.460 0.151 0.000 0.965 79 Y HN 0.197 nan 8.280 nan 0.000 0.498 80 D N -0.805 119.454 120.400 -0.234 0.000 2.218 80 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 80 D C 2.108 178.335 176.300 -0.121 0.000 0.976 80 D CA 1.766 55.559 54.000 -0.344 0.000 0.853 80 D CB -0.203 40.454 40.800 -0.238 0.000 0.939 80 D HN 0.460 nan 8.370 nan 0.000 0.481 81 T N -0.173 114.379 114.554 -0.004 0.000 2.851 81 T HA -0.044 4.306 4.350 -0.000 0.000 0.262 81 T C 1.995 176.771 174.700 0.126 0.000 1.043 81 T CA 0.591 62.758 62.100 0.112 0.000 1.140 81 T CB -0.094 68.843 68.868 0.116 0.000 0.872 81 T HN 0.116 nan 8.240 nan 0.000 0.446 82 M N 1.587 121.232 119.600 0.074 0.000 2.108 82 M HA -0.141 4.339 4.480 -0.000 0.000 0.257 82 M C 1.748 178.077 176.300 0.047 0.000 1.071 82 M CA 1.455 56.796 55.300 0.068 0.000 1.093 82 M CB -0.342 32.310 32.600 0.087 0.000 1.345 82 M HN 0.125 nan 8.290 nan 0.000 0.403 83 N N -0.861 117.843 118.700 0.007 0.000 2.467 83 N HA -0.032 4.708 4.740 -0.000 0.000 0.184 83 N C 1.273 176.836 175.510 0.089 0.000 1.106 83 N CA 0.630 53.683 53.050 0.005 0.000 0.892 83 N CB -0.109 38.328 38.487 -0.083 0.000 0.969 83 N HN 0.253 nan 8.380 nan 0.000 0.454 84 F N 2.668 122.576 119.950 -0.070 0.000 2.094 84 F HA 0.174 4.701 4.527 -0.000 0.000 0.291 84 F C 1.058 176.839 175.800 -0.031 0.000 1.109 84 F CA -0.149 57.821 58.000 -0.050 0.000 1.221 84 F CB -0.517 38.456 39.000 -0.044 0.000 1.014 84 F HN -0.172 nan 8.300 nan 0.000 0.473 85 I N -0.101 120.420 120.570 -0.082 0.000 2.836 85 I HA 0.103 4.273 4.170 -0.000 0.000 0.285 85 I C 1.254 177.294 176.117 -0.129 0.000 1.174 85 I CA -0.406 60.772 61.300 -0.202 0.000 1.405 85 I CB 0.661 38.608 38.000 -0.089 0.000 1.385 85 I HN 0.123 nan 8.210 nan 0.000 0.594 86 R N 2.216 122.629 120.500 -0.145 0.000 2.148 86 R HA 0.096 4.436 4.340 -0.000 0.000 0.227 86 R C -1.581 174.684 176.300 -0.058 0.000 1.103 86 R CA 0.321 56.364 56.100 -0.094 0.000 0.983 86 R CB -1.697 28.543 30.300 -0.100 0.000 0.874 86 R HN 0.571 nan 8.270 nan 0.000 0.451 87 P HA -0.012 nan 4.420 nan 0.000 0.269 87 P C -0.880 176.413 177.300 -0.011 0.000 1.215 87 P CA 0.194 63.276 63.100 -0.030 0.000 0.780 87 P CB 0.485 32.167 31.700 -0.029 0.000 0.898 88 D N 0.513 120.913 120.400 -0.001 0.000 2.312 88 D HA 0.195 4.835 4.640 -0.000 0.000 0.252 88 D C -0.659 175.654 176.300 0.022 0.000 1.150 88 D CA 0.198 54.203 54.000 0.009 0.000 0.870 88 D CB 0.338 41.147 40.800 0.014 0.000 1.153 88 D HN -0.095 nan 8.370 nan 0.000 0.457 89 V N 2.870 122.798 119.914 0.024 0.000 2.318 89 V HA 0.241 4.361 4.120 -0.000 0.000 0.271 89 V C 0.363 176.475 176.094 0.031 0.000 1.030 89 V CA -0.668 61.653 62.300 0.035 0.000 0.844 89 V CB 1.179 33.027 31.823 0.041 0.000 1.015 89 V HN 0.476 nan 8.190 nan 0.000 0.460 90 S N 4.260 119.990 115.700 0.049 0.000 2.537 90 S HA 0.577 5.047 4.470 -0.000 0.000 0.275 90 S C 0.274 174.889 174.600 0.026 0.000 1.272 90 S CA -0.376 57.864 58.200 0.066 0.000 1.050 90 S CB 0.812 64.100 63.200 0.148 0.000 0.961 90 S HN 0.947 nan 8.310 nan 0.000 0.496 91 T N 2.371 116.927 114.554 0.002 0.000 2.823 91 T HA 0.724 5.074 4.350 -0.000 0.000 0.279 91 T C -0.711 173.962 174.700 -0.046 0.000 0.998 91 T CA -0.738 61.337 62.100 -0.042 0.000 0.994 91 T CB 0.733 69.574 68.868 -0.045 0.000 0.960 91 T HN 0.369 nan 8.240 nan 0.000 0.448 92 I N 2.316 122.780 120.570 -0.177 0.000 2.468 92 I HA 0.320 4.490 4.170 -0.000 0.000 0.284 92 I C 0.067 176.123 176.117 -0.102 0.000 1.038 92 I CA -0.683 60.499 61.300 -0.196 0.000 1.083 92 I CB 1.503 39.120 38.000 -0.638 0.000 1.223 92 I HN 0.878 nan 8.210 nan 0.000 0.443 93 C N 8.766 128.059 119.300 -0.012 0.000 2.464 93 C HA 0.673 5.133 4.460 -0.000 0.000 0.370 93 C C 0.383 175.408 174.990 0.059 0.000 1.267 93 C CA -0.504 58.527 59.018 0.021 0.000 1.781 93 C CB -1.649 26.095 27.740 0.008 0.000 2.431 93 C HN 0.709 nan 8.230 nan 0.000 0.556 94 I N 5.064 125.689 120.570 0.092 0.000 2.569 94 I HA 0.799 4.969 4.170 -0.000 0.000 0.296 94 I C 0.729 176.899 176.117 0.088 0.000 1.028 94 I CA 0.165 61.532 61.300 0.112 0.000 1.082 94 I CB 1.644 39.742 38.000 0.164 0.000 1.264 94 I HN 0.875 nan 8.210 nan 0.000 0.429 95 G N 5.192 114.041 108.800 0.082 0.000 3.879 95 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.318 95 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.318 95 G C -0.060 174.876 174.900 0.061 0.000 1.344 95 G CA 0.884 46.026 45.100 0.069 0.000 1.024 95 G HN 1.214 nan 8.290 nan 0.000 0.681 96 Q N -1.310 118.521 119.800 0.051 0.000 2.590 96 Q HA 0.756 5.096 4.340 -0.000 0.000 0.295 96 Q C -0.926 175.085 176.000 0.017 0.000 0.973 96 Q CA -0.453 55.371 55.803 0.035 0.000 0.768 96 Q CB 1.890 30.654 28.738 0.044 0.000 1.479 96 Q HN 2.091 nan 8.270 nan 0.000 0.419 97 A N 0.394 123.208 122.820 -0.011 0.000 2.679 97 A HA 0.791 5.111 4.320 -0.000 0.000 0.288 97 A C -1.225 176.315 177.584 -0.073 0.000 1.160 97 A CA -0.007 52.013 52.037 -0.028 0.000 0.763 97 A CB 0.892 19.875 19.000 -0.028 0.000 1.270 97 A HN 0.899 nan 8.150 nan 0.000 0.417 98 A N 1.679 124.447 122.820 -0.087 0.000 2.355 98 A HA 0.905 5.225 4.320 -0.000 0.000 0.324 98 A C 0.863 178.318 177.584 -0.214 0.000 1.117 98 A CA 0.365 52.299 52.037 -0.171 0.000 0.785 98 A CB 0.501 19.409 19.000 -0.153 0.000 1.254 98 A HN 2.078 nan 8.150 nan 0.000 0.453 99 S N -0.110 115.370 115.700 -0.367 0.000 4.054 99 S HA -0.350 4.120 4.470 -0.000 0.000 0.618 99 S C 1.504 176.020 174.600 -0.141 0.000 2.026 99 S CA 1.886 59.795 58.200 -0.485 0.000 4.205 99 S CB -1.298 61.486 63.200 -0.694 0.000 0.233 99 S HN 1.782 nan 8.310 nan 0.000 0.612 100 M N 2.769 122.329 119.600 -0.068 0.000 2.195 100 M HA -0.001 4.479 4.480 -0.000 0.000 0.260 100 M C 1.927 178.275 176.300 0.081 0.000 1.066 100 M CA 2.685 58.004 55.300 0.032 0.000 1.089 100 M CB -1.330 31.283 32.600 0.021 0.000 1.377 100 M HN 0.635 nan 8.290 nan 0.000 0.411 101 G N -0.999 107.810 108.800 0.016 0.000 2.422 101 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.218 101 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.218 101 G C 1.540 176.447 174.900 0.012 0.000 1.146 101 G CA 0.950 46.061 45.100 0.019 0.000 0.769 101 G HN 0.685 nan 8.290 nan 0.000 0.547 102 A N 0.297 123.108 122.820 -0.014 0.000 1.930 102 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 102 A C 2.129 179.728 177.584 0.024 0.000 1.175 102 A CA 1.378 53.398 52.037 -0.029 0.000 0.627 102 A CB -0.503 18.448 19.000 -0.081 0.000 0.815 102 A HN 0.353 nan 8.150 nan 0.000 0.443 103 F N 0.648 120.542 119.950 -0.093 0.000 2.102 103 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 103 F C 1.920 177.652 175.800 -0.112 0.000 1.105 103 F CA 1.695 59.632 58.000 -0.106 0.000 1.239 103 F CB -0.280 38.656 39.000 -0.107 0.000 0.991 103 F HN 0.139 nan 8.300 nan 0.000 0.474 104 L N -0.569 120.675 121.223 0.036 0.000 2.046 104 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 104 L C 2.450 179.268 176.870 -0.086 0.000 1.077 104 L CA 1.061 55.882 54.840 -0.032 0.000 0.747 104 L CB -0.886 41.215 42.059 0.070 0.000 0.896 104 L HN 0.274 nan 8.230 nan 0.000 0.432 105 L N 0.202 121.387 121.223 -0.063 0.000 2.013 105 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 105 L C 2.734 179.533 176.870 -0.119 0.000 1.073 105 L CA 2.332 57.129 54.840 -0.072 0.000 0.753 105 L CB -0.667 41.357 42.059 -0.058 0.000 0.890 105 L HN 0.376 nan 8.230 nan 0.000 0.432 106 S N -2.501 113.103 115.700 -0.160 0.000 2.547 106 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 106 S C 1.670 176.126 174.600 -0.239 0.000 0.980 106 S CA 0.798 58.885 58.200 -0.189 0.000 0.941 106 S CB -1.398 61.689 63.200 -0.188 0.000 0.763 106 S HN 0.552 nan 8.310 nan 0.000 0.532 107 C N 1.895 121.037 119.300 -0.264 0.000 2.791 107 C HA 0.484 4.944 4.460 -0.000 0.000 0.270 107 C C 1.691 176.641 174.990 -0.067 0.000 1.257 107 C CA -0.827 58.066 59.018 -0.208 0.000 1.699 107 C CB -1.649 25.940 27.740 -0.252 0.000 1.904 107 C HN 0.714 nan 8.230 nan 0.000 0.603 108 G N 0.559 109.311 108.800 -0.080 0.000 2.606 108 G HA2 0.470 4.430 3.960 -0.000 0.000 0.252 108 G HA3 0.470 4.430 3.960 -0.000 0.000 0.252 108 G C 0.262 175.126 174.900 -0.059 0.000 1.206 108 G CA 0.203 45.273 45.100 -0.051 0.000 0.861 108 G HN 0.634 nan 8.290 nan 0.000 0.561 109 A N 0.532 123.331 122.820 -0.036 0.000 2.624 109 A HA 0.142 4.462 4.320 -0.000 0.000 0.231 109 A C 0.980 178.520 177.584 -0.074 0.000 1.034 109 A CA 0.542 52.557 52.037 -0.037 0.000 0.754 109 A CB -0.014 18.976 19.000 -0.017 0.000 0.953 109 A HN 0.796 nan 8.150 nan 0.000 0.509 110 K N 1.242 121.605 120.400 -0.062 0.000 2.489 110 K HA 0.299 4.619 4.320 -0.000 0.000 0.278 110 K C 1.341 177.883 176.600 -0.097 0.000 1.000 110 K CA 1.076 57.315 56.287 -0.080 0.000 1.012 110 K CB -0.099 32.368 32.500 -0.055 0.000 0.903 110 K HN 1.758 nan 8.250 nan 0.000 0.485 111 G N 3.327 112.044 108.800 -0.138 0.000 2.189 111 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.267 111 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.267 111 G C 0.241 174.980 174.900 -0.268 0.000 0.975 111 G CA 0.823 45.828 45.100 -0.157 0.000 0.644 111 G HN 0.692 nan 8.290 nan 0.000 0.537 112 K N -0.140 120.072 120.400 -0.314 0.000 2.646 112 K HA 0.235 4.555 4.320 -0.000 0.000 0.206 112 K C 0.498 176.711 176.600 -0.646 0.000 1.069 112 K CA -0.433 55.592 56.287 -0.436 0.000 1.067 112 K CB 0.782 33.265 32.500 -0.029 0.000 0.807 112 K HN 0.241 nan 8.250 nan 0.000 0.482 113 R N 0.840 120.916 120.500 -0.706 0.000 2.207 113 R HA 0.362 4.702 4.340 -0.000 0.000 0.334 113 R C -0.753 175.154 176.300 -0.655 0.000 1.013 113 R CA -0.245 55.571 56.100 -0.475 0.000 0.858 113 R CB 0.458 30.590 30.300 -0.280 0.000 1.094 113 R HN -0.072 nan 8.270 nan 0.000 0.457 114 F N -0.098 119.798 119.950 -0.089 0.000 2.631 114 F HA 0.614 5.141 4.527 -0.000 0.000 0.350 114 F C 0.494 176.245 175.800 -0.082 0.000 1.080 114 F CA -0.895 57.056 58.000 -0.083 0.000 1.026 114 F CB 2.076 41.018 39.000 -0.097 0.000 1.347 114 F HN 0.292 nan 8.300 nan 0.000 0.501 115 S N 0.498 116.298 115.700 0.166 0.000 2.560 115 S HA 0.540 5.010 4.470 -0.000 0.000 0.283 115 S C -1.305 173.335 174.600 0.068 0.000 1.141 115 S CA -0.760 57.484 58.200 0.073 0.000 0.902 115 S CB 0.565 63.781 63.200 0.026 0.000 1.104 115 S HN 0.586 nan 8.310 nan 0.000 0.454 116 L N 5.254 126.514 121.223 0.061 0.000 2.472 116 L HA 0.335 4.675 4.340 -0.000 0.000 0.260 116 L C -0.899 175.982 176.870 0.019 0.000 1.209 116 L CA -1.743 53.132 54.840 0.057 0.000 0.817 116 L CB 0.386 42.498 42.059 0.087 0.000 1.106 116 L HN 0.594 nan 8.230 nan 0.000 0.479 117 P HA -0.212 nan 4.420 nan 0.000 0.216 117 P C 0.868 177.983 177.300 -0.308 0.000 1.150 117 P CA 1.707 64.700 63.100 -0.178 0.000 0.837 117 P CB 0.051 31.609 31.700 -0.236 0.000 0.786 118 H N -1.129 117.956 119.070 0.025 0.000 2.517 118 H HA 0.300 4.856 4.556 -0.000 0.000 0.282 118 H C 0.598 175.941 175.328 0.024 0.000 1.023 118 H CA -0.068 55.994 56.048 0.022 0.000 1.169 118 H CB 0.187 29.962 29.762 0.021 0.000 1.454 118 H HN 0.143 nan 8.280 nan 0.000 0.556 119 S N 1.600 117.350 115.700 0.083 0.000 2.603 119 S HA 0.296 4.766 4.470 -0.000 0.000 0.268 119 S C 0.856 175.481 174.600 0.042 0.000 1.317 119 S CA -0.637 57.602 58.200 0.066 0.000 1.012 119 S CB 1.287 64.517 63.200 0.050 0.000 0.926 119 S HN 0.549 nan 8.310 nan 0.000 0.539 120 R N 0.417 120.943 120.500 0.042 0.000 2.686 120 R HA 0.648 4.988 4.340 -0.000 0.000 0.286 120 R C -1.334 174.961 176.300 -0.007 0.000 0.969 120 R CA -0.777 55.344 56.100 0.035 0.000 0.898 120 R CB 0.695 31.054 30.300 0.098 0.000 1.183 120 R HN 0.402 nan 8.270 nan 0.000 0.456 121 I N 3.285 123.814 120.570 -0.068 0.000 2.493 121 I HA 0.494 4.664 4.170 -0.000 0.000 0.298 121 I C -0.230 175.740 176.117 -0.245 0.000 0.998 121 I CA -1.064 60.154 61.300 -0.138 0.000 1.137 121 I CB 1.493 39.398 38.000 -0.159 0.000 1.310 121 I HN 0.757 nan 8.210 nan 0.000 0.445 122 M N 7.626 127.048 119.600 -0.296 0.000 2.224 122 M HA 0.514 4.994 4.480 -0.000 0.000 0.281 122 M C -1.475 174.620 176.300 -0.342 0.000 1.025 122 M CA -0.449 54.578 55.300 -0.456 0.000 0.954 122 M CB 2.383 34.558 32.600 -0.708 0.000 1.639 122 M HN 0.651 nan 8.290 nan 0.000 0.461 123 I N 2.213 122.623 120.570 -0.266 0.000 2.707 123 I HA 0.787 4.957 4.170 -0.000 0.000 0.309 123 I C -0.584 175.560 176.117 0.045 0.000 1.001 123 I CA -0.551 60.687 61.300 -0.103 0.000 1.129 123 I CB 2.131 40.112 38.000 -0.032 0.000 1.308 123 I HN 0.943 nan 8.210 nan 0.000 0.466 124 H N 1.506 120.561 119.070 -0.026 0.000 2.888 124 H HA 0.410 4.966 4.556 -0.000 0.000 0.267 124 H C -1.798 173.517 175.328 -0.023 0.000 1.482 124 H CA -1.223 54.813 56.048 -0.019 0.000 1.165 124 H CB 1.109 30.847 29.762 -0.041 0.000 1.866 124 H HN 0.757 nan 8.280 nan 0.000 0.599 125 Q N 0.825 120.485 119.800 -0.233 0.000 2.205 125 Q HA 0.542 4.882 4.340 -0.000 0.000 0.249 125 Q C -2.678 172.948 176.000 -0.623 0.000 0.948 125 Q CA -2.158 53.468 55.803 -0.294 0.000 0.895 125 Q CB 1.976 30.608 28.738 -0.177 0.000 1.249 125 Q HN 0.379 nan 8.270 nan 0.000 0.458 126 P HA 0.047 nan 4.420 nan 0.000 0.270 126 P C -0.918 176.241 177.300 -0.235 0.000 1.223 126 P CA 0.020 62.969 63.100 -0.252 0.000 0.785 126 P CB 0.796 32.413 31.700 -0.139 0.000 0.923 127 L N 0.726 121.861 121.223 -0.147 0.000 2.319 127 L HA 0.851 5.191 4.340 -0.000 0.000 0.267 127 L C 0.921 177.761 176.870 -0.050 0.000 1.011 127 L CA -0.284 54.502 54.840 -0.090 0.000 0.818 127 L CB 2.095 44.129 42.059 -0.043 0.000 1.316 127 L HN 0.672 nan 8.230 nan 0.000 0.432 128 G N -0.014 108.763 108.800 -0.038 0.000 2.435 128 G HA2 0.623 4.583 3.960 -0.000 0.000 0.296 128 G HA3 0.623 4.583 3.960 -0.000 0.000 0.296 128 G C -1.475 173.413 174.900 -0.021 0.000 1.240 128 G CA 0.066 45.150 45.100 -0.026 0.000 0.872 128 G HN 0.914 nan 8.290 nan 0.000 0.480 129 G N -1.731 107.059 108.800 -0.017 0.000 2.632 129 G HA2 0.875 4.835 3.960 -0.000 0.000 0.292 129 G HA3 0.875 4.835 3.960 -0.000 0.000 0.292 129 G C -1.195 173.697 174.900 -0.012 0.000 1.465 129 G CA 0.529 45.620 45.100 -0.014 0.000 0.824 129 G HN 1.982 nan 8.290 nan 0.000 0.509 130 A N 0.288 123.101 122.820 -0.011 0.000 2.549 130 A HA 0.915 5.235 4.320 -0.000 0.000 0.297 130 A C -0.953 176.626 177.584 -0.008 0.000 1.061 130 A CA -0.537 51.495 52.037 -0.010 0.000 0.690 130 A CB 2.427 21.421 19.000 -0.011 0.000 1.287 130 A HN 0.720 nan 8.150 nan 0.000 0.402 131 Q N 0.279 120.075 119.800 -0.007 0.000 2.353 131 Q HA 0.573 4.913 4.340 -0.000 0.000 0.275 131 Q C -0.175 175.822 176.000 -0.005 0.000 1.029 131 Q CA 0.337 56.137 55.803 -0.005 0.000 0.848 131 Q CB 2.359 31.095 28.738 -0.004 0.000 1.390 131 Q HN 2.303 nan 8.270 nan 0.000 0.401 132 G N 1.957 110.754 108.800 -0.004 0.000 2.255 132 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 132 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 132 G C -1.233 173.664 174.900 -0.004 0.000 1.307 132 G CA -0.854 44.243 45.100 -0.004 0.000 1.162 132 G HN 0.496 nan 8.290 nan 0.000 0.494 133 Q N 0.351 120.149 119.800 -0.004 0.000 2.373 133 Q HA 0.479 4.819 4.340 -0.000 0.000 0.255 133 Q C 1.757 177.754 176.000 -0.005 0.000 0.980 133 Q CA 0.180 55.981 55.803 -0.004 0.000 0.882 133 Q CB 1.427 30.163 28.738 -0.004 0.000 1.249 133 Q HN 1.155 nan 8.270 nan 0.000 0.438 134 A N 2.349 125.167 122.820 -0.004 0.000 1.915 134 A HA -0.279 4.041 4.320 -0.000 0.000 0.220 134 A C 2.141 179.721 177.584 -0.005 0.000 1.198 134 A CA 2.504 54.538 52.037 -0.005 0.000 0.647 134 A CB -0.634 18.363 19.000 -0.005 0.000 0.825 134 A HN 0.760 nan 8.150 nan 0.000 0.456 135 S N -0.222 115.475 115.700 -0.005 0.000 2.383 135 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 135 S C 1.553 176.149 174.600 -0.006 0.000 1.030 135 S CA 1.434 59.631 58.200 -0.005 0.000 1.002 135 S CB -0.395 62.802 63.200 -0.004 0.000 0.829 135 S HN 0.668 nan 8.310 nan 0.000 0.467 136 D N 1.100 121.496 120.400 -0.006 0.000 2.162 136 D HA 0.088 4.728 4.640 -0.000 0.000 0.205 136 D C 1.897 178.193 176.300 -0.007 0.000 0.964 136 D CA 0.604 54.600 54.000 -0.006 0.000 0.847 136 D CB -0.288 40.509 40.800 -0.005 0.000 0.988 136 D HN 0.351 nan 8.370 nan 0.000 0.480 137 I N 1.415 121.981 120.570 -0.007 0.000 2.208 137 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 137 I C 2.550 178.662 176.117 -0.010 0.000 1.097 137 I CA 1.153 62.448 61.300 -0.009 0.000 1.363 137 I CB -0.203 37.792 38.000 -0.008 0.000 1.051 137 I HN 0.010 nan 8.210 nan 0.000 0.413 138 E N 1.598 121.793 120.200 -0.009 0.000 2.110 138 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 138 E C 2.325 178.919 176.600 -0.009 0.000 0.988 138 E CA 1.245 57.640 56.400 -0.009 0.000 0.804 138 E CB 0.012 29.708 29.700 -0.008 0.000 0.745 138 E HN 0.487 nan 8.360 nan 0.000 0.458 139 I N 0.648 121.213 120.570 -0.009 0.000 2.252 139 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 139 I C 2.373 178.484 176.117 -0.011 0.000 1.102 139 I CA 0.876 62.171 61.300 -0.009 0.000 1.385 139 I CB -0.228 37.767 38.000 -0.007 0.000 1.064 139 I HN 0.202 nan 8.210 nan 0.000 0.414 140 I N 0.021 120.584 120.570 -0.011 0.000 2.252 140 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 140 I C 2.795 178.902 176.117 -0.017 0.000 1.102 140 I CA 1.216 62.508 61.300 -0.014 0.000 1.385 140 I CB -0.312 37.681 38.000 -0.013 0.000 1.064 140 I HN 0.164 nan 8.210 nan 0.000 0.414 141 S N 0.977 116.668 115.700 -0.016 0.000 2.383 141 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 141 S C 1.895 176.484 174.600 -0.019 0.000 1.030 141 S CA 1.760 59.949 58.200 -0.019 0.000 1.002 141 S CB -0.296 62.894 63.200 -0.016 0.000 0.829 141 S HN 0.409 nan 8.310 nan 0.000 0.467 142 N N 1.200 119.890 118.700 -0.015 0.000 2.135 142 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 142 N C 1.767 177.268 175.510 -0.016 0.000 1.027 142 N CA 1.405 54.446 53.050 -0.014 0.000 0.849 142 N CB -0.823 37.657 38.487 -0.011 0.000 1.002 142 N HN 0.516 nan 8.380 nan 0.000 0.425 143 E N 1.415 121.606 120.200 -0.016 0.000 2.118 143 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 143 E C 1.771 178.357 176.600 -0.024 0.000 0.992 143 E CA 0.773 57.163 56.400 -0.017 0.000 0.804 143 E CB -0.383 29.308 29.700 -0.015 0.000 0.741 143 E HN 0.451 nan 8.360 nan 0.000 0.458 144 I N -0.523 120.030 120.570 -0.028 0.000 3.059 144 I HA -0.047 4.123 4.170 -0.000 0.000 0.270 144 I C 1.590 177.681 176.117 -0.042 0.000 1.238 144 I CA 0.354 61.631 61.300 -0.038 0.000 1.478 144 I CB 0.164 38.139 38.000 -0.042 0.000 1.097 144 I HN 0.165 nan 8.210 nan 0.000 0.455 145 L N 0.402 121.605 121.223 -0.033 0.000 2.270 145 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 145 L C 2.628 179.482 176.870 -0.027 0.000 1.104 145 L CA 0.596 55.417 54.840 -0.031 0.000 0.804 145 L CB -0.474 41.571 42.059 -0.024 0.000 0.937 145 L HN 0.239 nan 8.230 nan 0.000 0.450 146 R N 0.771 121.257 120.500 -0.022 0.000 2.075 146 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 146 R C 2.219 178.506 176.300 -0.022 0.000 1.126 146 R CA 1.221 57.312 56.100 -0.016 0.000 0.963 146 R CB -0.144 30.149 30.300 -0.011 0.000 0.858 146 R HN 0.300 nan 8.270 nan 0.000 0.435 147 L N 1.005 122.208 121.223 -0.034 0.000 2.056 147 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 147 L C 2.816 179.644 176.870 -0.071 0.000 1.078 147 L CA 1.574 56.383 54.840 -0.052 0.000 0.749 147 L CB -0.527 41.494 42.059 -0.062 0.000 0.901 147 L HN 0.267 nan 8.230 nan 0.000 0.433 148 K N 0.319 120.679 120.400 -0.066 0.000 2.044 148 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 148 K C 2.006 178.580 176.600 -0.043 0.000 1.049 148 K CA 1.728 57.974 56.287 -0.068 0.000 0.927 148 K CB -0.351 32.113 32.500 -0.060 0.000 0.713 148 K HN 0.352 nan 8.250 nan 0.000 0.443 149 G N 1.570 110.355 108.800 -0.026 0.000 2.404 149 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.215 149 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.215 149 G C 1.424 176.328 174.900 0.006 0.000 1.174 149 G CA 0.810 45.907 45.100 -0.006 0.000 0.780 149 G HN 0.321 nan 8.290 nan 0.000 0.537 150 L N 0.672 121.896 121.223 0.001 0.000 1.971 150 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 150 L C 2.882 179.776 176.870 0.040 0.000 1.072 150 L CA 2.155 57.010 54.840 0.024 0.000 0.758 150 L CB -0.413 41.656 42.059 0.017 0.000 0.889 150 L HN 0.269 nan 8.230 nan 0.000 0.433 151 M N -0.898 118.678 119.600 -0.040 0.000 2.229 151 M HA -0.154 4.326 4.480 -0.000 0.000 0.264 151 M C 1.855 178.219 176.300 0.107 0.000 1.063 151 M CA 1.320 56.574 55.300 -0.077 0.000 1.114 151 M CB -0.633 31.671 32.600 -0.493 0.000 1.387 151 M HN 0.345 nan 8.290 nan 0.000 0.420 152 N N 0.211 118.942 118.700 0.052 0.000 2.244 152 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 152 N C 1.860 177.425 175.510 0.092 0.000 1.016 152 N CA 1.366 54.465 53.050 0.082 0.000 0.866 152 N CB -0.366 38.150 38.487 0.048 0.000 0.980 152 N HN 0.258 nan 8.380 nan 0.000 0.430 153 S N 0.686 116.434 115.700 0.079 0.000 2.348 153 S HA -0.011 4.459 4.470 -0.000 0.000 0.221 153 S C 1.983 176.633 174.600 0.084 0.000 1.033 153 S CA 0.783 59.026 58.200 0.071 0.000 1.010 153 S CB -0.234 63.005 63.200 0.065 0.000 0.891 153 S HN 0.227 nan 8.310 nan 0.000 0.442 154 I N 0.957 121.604 120.570 0.128 0.000 2.252 154 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 154 I C 2.342 178.477 176.117 0.031 0.000 1.102 154 I CA 0.790 62.147 61.300 0.096 0.000 1.385 154 I CB -0.356 37.732 38.000 0.146 0.000 1.064 154 I HN 0.314 nan 8.210 nan 0.000 0.414 155 L N 1.015 122.322 121.223 0.140 0.000 2.127 155 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 155 L C 2.434 179.334 176.870 0.050 0.000 1.089 155 L CA 1.984 56.880 54.840 0.094 0.000 0.757 155 L CB -0.696 41.501 42.059 0.230 0.000 0.899 155 L HN 0.206 nan 8.230 nan 0.000 0.434 156 A N -1.464 121.388 122.820 0.052 0.000 1.898 156 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 156 A C 2.257 179.834 177.584 -0.011 0.000 1.183 156 A CA 1.261 53.310 52.037 0.020 0.000 0.622 156 A CB -0.617 18.399 19.000 0.026 0.000 0.824 156 A HN 0.566 nan 8.150 nan 0.000 0.444 157 Q N 0.070 119.868 119.800 -0.004 0.000 2.170 157 Q HA -0.192 4.148 4.340 -0.000 0.000 0.203 157 Q C 1.158 177.135 176.000 -0.038 0.000 0.976 157 Q CA 1.672 57.466 55.803 -0.014 0.000 0.858 157 Q CB -0.230 28.511 28.738 0.005 0.000 0.907 157 Q HN 0.646 nan 8.270 nan 0.000 0.433 158 N N 0.168 118.832 118.700 -0.059 0.000 2.300 158 N HA -0.071 4.669 4.740 -0.000 0.000 0.179 158 N C 1.642 177.105 175.510 -0.078 0.000 1.016 158 N CA 1.388 54.386 53.050 -0.087 0.000 0.876 158 N CB 0.095 38.491 38.487 -0.152 0.000 0.979 158 N HN 0.306 nan 8.380 nan 0.000 0.432 159 S N -1.456 114.204 115.700 -0.066 0.000 2.524 159 S HA 0.329 4.799 4.470 -0.000 0.000 0.215 159 S C 1.414 175.940 174.600 -0.124 0.000 0.986 159 S CA 0.433 58.583 58.200 -0.083 0.000 0.911 159 S CB 0.633 63.800 63.200 -0.056 0.000 0.805 159 S HN 0.337 nan 8.310 nan 0.000 0.501 160 G N 0.987 109.729 108.800 -0.097 0.000 2.179 160 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 160 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 160 G C 0.017 174.847 174.900 -0.117 0.000 0.977 160 G CA 0.181 45.223 45.100 -0.097 0.000 0.641 160 G HN 0.530 nan 8.290 nan 0.000 0.533 161 Q N 0.720 120.431 119.800 -0.147 0.000 2.317 161 Q HA 0.524 4.864 4.340 -0.000 0.000 0.229 161 Q C 0.893 176.854 176.000 -0.064 0.000 0.984 161 Q CA 0.431 56.144 55.803 -0.151 0.000 0.911 161 Q CB 1.311 29.924 28.738 -0.208 0.000 1.217 161 Q HN 0.795 nan 8.270 nan 0.000 0.501 162 S N -0.012 115.663 115.700 -0.042 0.000 2.584 162 S HA 0.158 4.628 4.470 -0.000 0.000 0.273 162 S C 1.123 175.728 174.600 0.008 0.000 1.311 162 S CA -0.717 57.474 58.200 -0.014 0.000 1.034 162 S CB 0.623 63.817 63.200 -0.010 0.000 0.939 162 S HN 0.733 nan 8.310 nan 0.000 0.513 163 L N 1.069 122.301 121.223 0.014 0.000 2.043 163 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 163 L C 2.190 179.078 176.870 0.030 0.000 1.075 163 L CA 1.965 56.821 54.840 0.027 0.000 0.752 163 L CB -0.488 41.585 42.059 0.022 0.000 0.891 163 L HN 0.777 nan 8.230 nan 0.000 0.432 164 E N -0.387 119.826 120.200 0.021 0.000 2.150 164 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 164 E C 1.983 178.601 176.600 0.030 0.000 0.985 164 E CA 1.175 57.587 56.400 0.020 0.000 0.814 164 E CB -0.208 29.499 29.700 0.012 0.000 0.752 164 E HN 0.493 nan 8.360 nan 0.000 0.466 165 Q N 0.246 120.067 119.800 0.035 0.000 2.079 165 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 165 Q C 1.828 177.893 176.000 0.108 0.000 0.974 165 Q CA 1.171 57.009 55.803 0.057 0.000 0.840 165 Q CB -0.133 28.627 28.738 0.038 0.000 0.898 165 Q HN 0.214 nan 8.270 nan 0.000 0.430 166 I N 0.496 121.134 120.570 0.114 0.000 2.252 166 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 166 I C 2.146 178.330 176.117 0.111 0.000 1.102 166 I CA 1.318 62.715 61.300 0.161 0.000 1.385 166 I CB -1.685 36.402 38.000 0.144 0.000 1.064 166 I HN 0.316 nan 8.210 nan 0.000 0.414 167 A N 0.898 123.759 122.820 0.068 0.000 1.940 167 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 167 A C 2.354 179.955 177.584 0.029 0.000 1.176 167 A CA 1.610 53.670 52.037 0.039 0.000 0.631 167 A CB -0.436 18.578 19.000 0.023 0.000 0.814 167 A HN 0.387 nan 8.150 nan 0.000 0.446 168 K N -0.493 119.925 120.400 0.031 0.000 2.031 168 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 168 K C 1.298 177.889 176.600 -0.016 0.000 1.049 168 K CA 1.310 57.600 56.287 0.005 0.000 0.939 168 K CB -0.241 32.261 32.500 0.003 0.000 0.717 168 K HN 0.399 nan 8.250 nan 0.000 0.438 169 D N 0.454 120.866 120.400 0.019 0.000 2.312 169 D HA -0.079 4.561 4.640 -0.000 0.000 0.211 169 D C 1.592 177.907 176.300 0.025 0.000 0.964 169 D CA 1.306 55.278 54.000 -0.047 0.000 0.877 169 D CB 0.149 41.026 40.800 0.129 0.000 0.924 169 D HN 0.356 nan 8.370 nan 0.000 0.515 170 T N -2.514 112.087 114.554 0.080 0.000 3.086 170 T HA 0.006 4.356 4.350 -0.000 0.000 0.250 170 T C 1.283 176.005 174.700 0.038 0.000 1.074 170 T CA -0.079 62.078 62.100 0.096 0.000 0.988 170 T CB 0.512 69.445 68.868 0.108 0.000 0.988 170 T HN -0.210 nan 8.240 nan 0.000 0.530 171 D N 1.705 122.106 120.400 0.002 0.000 2.133 171 D HA -0.062 4.578 4.640 -0.000 0.000 0.195 171 D C 1.137 177.430 176.300 -0.012 0.000 0.997 171 D CA 1.227 55.217 54.000 -0.016 0.000 0.840 171 D CB 0.266 41.050 40.800 -0.026 0.000 0.947 171 D HN 0.452 nan 8.370 nan 0.000 0.452 172 R N -0.493 120.007 120.500 0.000 0.000 2.930 172 R HA 0.299 4.639 4.340 -0.000 0.000 0.257 172 R C -1.067 175.277 176.300 0.074 0.000 1.107 172 R CA -0.909 55.208 56.100 0.028 0.000 0.999 172 R CB 0.921 31.232 30.300 0.018 0.000 1.209 172 R HN -0.046 nan 8.270 nan 0.000 0.486 173 D N 1.533 121.998 120.400 0.109 0.000 2.434 173 D HA -0.011 4.629 4.640 -0.000 0.000 0.252 173 D C -0.875 175.508 176.300 0.138 0.000 1.185 173 D CA 0.771 54.831 54.000 0.101 0.000 0.886 173 D CB 0.233 41.117 40.800 0.139 0.000 1.148 173 D HN 0.109 nan 8.370 nan 0.000 0.483 174 F N 4.584 124.432 119.950 -0.171 0.000 2.308 174 F HA 0.256 4.783 4.527 -0.000 0.000 0.370 174 F C -1.068 174.557 175.800 -0.292 0.000 1.100 174 F CA -1.356 56.552 58.000 -0.154 0.000 1.108 174 F CB -0.330 38.576 39.000 -0.157 0.000 1.293 174 F HN 0.171 nan 8.300 nan 0.000 0.478 175 Y N 5.456 125.856 120.300 0.165 0.000 2.307 175 Y HA 0.608 5.158 4.550 -0.000 0.000 0.324 175 Y C 0.355 176.130 175.900 -0.208 0.000 1.238 175 Y CA -0.255 57.814 58.100 -0.051 0.000 1.280 175 Y CB 1.232 39.701 38.460 0.014 0.000 1.248 175 Y HN 0.443 nan 8.280 nan 0.000 0.508 176 M N 1.123 120.655 119.600 -0.113 0.000 2.520 176 M HA 0.320 4.800 4.480 -0.000 0.000 0.280 176 M C -0.749 175.508 176.300 -0.071 0.000 1.232 176 M CA -0.852 54.342 55.300 -0.177 0.000 0.892 176 M CB 2.539 34.895 32.600 -0.406 0.000 1.728 176 M HN 0.665 nan 8.290 nan 0.000 0.475 177 S N 0.614 116.285 115.700 -0.047 0.000 2.681 177 S HA 0.675 5.145 4.470 -0.000 0.000 0.270 177 S C 1.027 175.599 174.600 -0.046 0.000 1.209 177 S CA -0.130 58.054 58.200 -0.025 0.000 0.988 177 S CB 1.309 64.500 63.200 -0.016 0.000 1.006 177 S HN 0.805 nan 8.310 nan 0.000 0.558 178 A N 1.000 123.796 122.820 -0.041 0.000 1.883 178 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 178 A C 2.154 179.715 177.584 -0.037 0.000 1.186 178 A CA 1.995 54.008 52.037 -0.039 0.000 0.624 178 A CB -1.093 17.882 19.000 -0.041 0.000 0.822 178 A HN 0.942 nan 8.150 nan 0.000 0.444 179 K N -0.119 120.258 120.400 -0.038 0.000 2.032 179 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 179 K C 1.890 178.482 176.600 -0.014 0.000 1.048 179 K CA 1.802 58.074 56.287 -0.024 0.000 0.927 179 K CB -0.245 32.240 32.500 -0.024 0.000 0.712 179 K HN 0.651 nan 8.250 nan 0.000 0.441 180 E N 0.017 120.203 120.200 -0.022 0.000 2.110 180 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 180 E C 2.005 178.590 176.600 -0.024 0.000 0.988 180 E CA 0.965 57.355 56.400 -0.018 0.000 0.804 180 E CB -0.128 29.545 29.700 -0.046 0.000 0.745 180 E HN 0.449 nan 8.360 nan 0.000 0.458 181 A N 1.934 124.716 122.820 -0.064 0.000 1.933 181 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 181 A C 2.139 179.729 177.584 0.010 0.000 1.175 181 A CA 1.191 53.192 52.037 -0.060 0.000 0.628 181 A CB -0.260 18.686 19.000 -0.091 0.000 0.814 181 A HN -0.043 nan 8.150 nan 0.000 0.444 182 K N 0.358 120.756 120.400 -0.005 0.000 2.103 182 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 182 K C 1.591 178.198 176.600 0.012 0.000 1.052 182 K CA 1.646 57.928 56.287 -0.008 0.000 0.945 182 K CB -0.249 32.242 32.500 -0.015 0.000 0.722 182 K HN 0.679 nan 8.250 nan 0.000 0.443 183 E N -1.178 119.042 120.200 0.034 0.000 2.274 183 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 183 E C 1.465 178.112 176.600 0.078 0.000 0.996 183 E CA 0.621 57.048 56.400 0.045 0.000 0.840 183 E CB -0.081 29.653 29.700 0.056 0.000 0.772 183 E HN 0.289 nan 8.360 nan 0.000 0.491 184 Y N 0.076 120.353 120.300 -0.039 0.000 2.490 184 Y HA 0.109 4.659 4.550 -0.000 0.000 0.285 184 Y C 1.520 177.397 175.900 -0.038 0.000 1.117 184 Y CA 1.117 59.198 58.100 -0.031 0.000 1.262 184 Y CB 0.815 39.236 38.460 -0.063 0.000 1.043 184 Y HN 0.080 nan 8.280 nan 0.000 0.553 185 G N -0.424 108.392 108.800 0.027 0.000 2.179 185 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 185 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 185 G C 0.903 175.793 174.900 -0.017 0.000 0.990 185 G CA 0.338 45.414 45.100 -0.041 0.000 0.646 185 G HN 0.366 nan 8.290 nan 0.000 0.517 186 L N 0.324 121.571 121.223 0.040 0.000 2.179 186 L HA 0.341 4.681 4.340 -0.000 0.000 0.208 186 L C 1.757 178.585 176.870 -0.070 0.000 1.096 186 L CA 1.477 56.314 54.840 -0.006 0.000 0.779 186 L CB -0.262 41.800 42.059 0.004 0.000 0.922 186 L HN 0.636 nan 8.230 nan 0.000 0.443 187 I N -5.813 114.713 120.570 -0.074 0.000 3.206 187 I HA 0.370 4.540 4.170 -0.000 0.000 0.313 187 I C -0.180 175.852 176.117 -0.141 0.000 1.103 187 I CA -0.815 60.410 61.300 -0.124 0.000 0.985 187 I CB 1.813 39.753 38.000 -0.100 0.000 1.240 187 I HN -0.233 nan 8.210 nan 0.000 0.464 188 D N 0.506 120.769 120.400 -0.228 0.000 2.431 188 D HA 0.149 4.789 4.640 -0.000 0.000 0.235 188 D C 0.097 176.314 176.300 -0.138 0.000 0.980 188 D CA 0.936 54.809 54.000 -0.212 0.000 0.912 188 D CB 0.842 41.447 40.800 -0.326 0.000 1.056 188 D HN 0.462 nan 8.370 nan 0.000 0.494 189 K N 0.415 120.739 120.400 -0.127 0.000 2.532 189 K HA 0.384 4.704 4.320 -0.000 0.000 0.265 189 K C -1.700 174.989 176.600 0.148 0.000 0.948 189 K CA -0.524 55.797 56.287 0.057 0.000 0.842 189 K CB 2.939 35.551 32.500 0.187 0.000 1.392 189 K HN -0.331 nan 8.250 nan 0.000 0.436 190 V N 4.938 124.916 119.914 0.106 0.000 2.259 190 V HA 0.235 4.355 4.120 -0.000 0.000 0.267 190 V C 0.055 176.197 176.094 0.080 0.000 1.051 190 V CA -0.652 61.697 62.300 0.081 0.000 0.830 190 V CB 0.614 32.450 31.823 0.021 0.000 1.080 190 V HN 0.641 nan 8.190 nan 0.000 0.467 191 L N 6.602 127.883 121.223 0.097 0.000 2.652 191 L HA 0.128 4.468 4.340 -0.000 0.000 0.284 191 L C 0.931 177.811 176.870 0.016 0.000 1.204 191 L CA 0.499 55.352 54.840 0.023 0.000 1.105 191 L CB -0.466 41.552 42.059 -0.069 0.000 1.393 191 L HN 0.763 nan 8.230 nan 0.000 0.452 192 Q N 0.000 119.809 119.800 0.015 0.000 2.315 192 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 192 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 192 Q CB 0.000 28.733 28.738 -0.009 0.000 1.108 192 Q HN 0.000 nan 8.270 nan 0.000 0.481