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 1oe6_1_B DATA FIRST_RESID 36 DATA SEQUENCE ESPADSFLKV ELELNLKLSN LVFQDPVQYV YNPLVYAWAP HENYVQTYCK DATA SEQUENCE SKKEVLFLGM NPGPFGMAQT GVPFGEVNHV RDWLQIEGPV SKPEVEHPKR DATA SEQUENCE RIRGFECPQS EVSGARFWSL FKSLCGQPET FFKHCFVHNH CPLIFMNHSG DATA SEQUENCE KNLTPTDLPK AQRDTLLEIC DEALCQAVRV LGVKLVIGVG RFSEQRARKA DATA SEQUENCE LMAEGIDVTV KGIMHPSPRN PQANKGWEGI VRGQLLELGV LSLLT 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 36 E HA 0.000 nan 4.350 nan 0.000 0.291 36 E C 0.000 176.581 176.600 -0.031 0.000 1.382 36 E CA 0.000 56.389 56.400 -0.018 0.000 0.976 36 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 37 S N 0.178 115.855 115.700 -0.038 0.000 2.438 37 S HA 0.590 5.060 4.470 0.000 0.000 0.293 37 S C -1.674 172.892 174.600 -0.056 0.000 1.141 37 S CA -1.124 57.040 58.200 -0.060 0.000 1.080 37 S CB 1.508 64.667 63.200 -0.069 0.000 0.978 37 S HN -0.056 nan 8.310 nan 0.000 0.479 38 P HA 0.167 nan 4.420 nan 0.000 0.237 38 P C 1.385 178.656 177.300 -0.047 0.000 1.178 38 P CA 0.544 63.609 63.100 -0.058 0.000 0.766 38 P CB -0.135 31.508 31.700 -0.094 0.000 0.876 39 A N 0.749 123.514 122.820 -0.092 0.000 1.892 39 A HA -0.270 4.050 4.320 0.000 0.000 0.218 39 A C 2.298 179.918 177.584 0.059 0.000 1.188 39 A CA 2.125 54.125 52.037 -0.062 0.000 0.631 39 A CB -1.524 17.418 19.000 -0.096 0.000 0.822 39 A HN 0.177 nan 8.150 nan 0.000 0.447 40 D N -0.573 119.855 120.400 0.046 0.000 2.178 40 D HA -0.092 4.548 4.640 0.000 0.000 0.202 40 D C 2.001 178.364 176.300 0.104 0.000 0.974 40 D CA 1.492 55.541 54.000 0.082 0.000 0.841 40 D CB 0.140 40.971 40.800 0.051 0.000 0.953 40 D HN 0.476 nan 8.370 nan 0.000 0.478 41 S N 0.019 115.772 115.700 0.088 0.000 2.387 41 S HA -0.105 4.365 4.470 0.000 0.000 0.226 41 S C 1.757 176.417 174.600 0.101 0.000 1.026 41 S CA 0.211 58.458 58.200 0.079 0.000 0.972 41 S CB -0.656 62.575 63.200 0.052 0.000 0.814 41 S HN 0.298 nan 8.310 nan 0.000 0.477 42 F N 2.861 122.813 119.950 0.002 0.000 2.043 42 F HA -0.115 4.412 4.527 0.000 0.000 0.297 42 F C 1.968 177.836 175.800 0.112 0.000 1.121 42 F CA 1.405 59.418 58.000 0.022 0.000 1.199 42 F CB -0.445 38.534 39.000 -0.035 0.000 0.968 42 F HN 0.064 nan 8.300 nan 0.000 0.478 43 L N -0.228 121.231 121.223 0.393 0.000 2.129 43 L HA -0.277 4.063 4.340 0.000 0.000 0.212 43 L C 2.359 179.385 176.870 0.259 0.000 1.087 43 L CA 1.632 56.712 54.840 0.400 0.000 0.757 43 L CB -0.710 41.610 42.059 0.435 0.000 0.896 43 L HN 0.159 nan 8.230 nan 0.000 0.434 44 K N -0.441 120.038 120.400 0.132 0.000 2.116 44 K HA -0.056 4.264 4.320 0.000 0.000 0.203 44 K C 2.016 178.621 176.600 0.008 0.000 1.052 44 K CA 0.610 56.937 56.287 0.066 0.000 0.952 44 K CB 0.129 32.660 32.500 0.052 0.000 0.729 44 K HN 0.055 nan 8.250 nan 0.000 0.446 45 V N 1.654 121.539 119.914 -0.049 0.000 2.392 45 V HA -0.274 3.846 4.120 0.000 0.000 0.249 45 V C 1.881 177.917 176.094 -0.096 0.000 1.059 45 V CA 1.852 64.089 62.300 -0.105 0.000 1.051 45 V CB -0.437 31.239 31.823 -0.244 0.000 0.658 45 V HN 0.343 nan 8.190 nan 0.000 0.455 46 E N 0.132 120.279 120.200 -0.089 0.000 2.072 46 E HA -0.122 4.228 4.350 0.000 0.000 0.190 46 E C 2.198 178.838 176.600 0.068 0.000 0.982 46 E CA 1.054 57.471 56.400 0.028 0.000 0.803 46 E CB -0.206 29.589 29.700 0.159 0.000 0.755 46 E HN 0.528 nan 8.360 nan 0.000 0.453 47 L N 0.865 122.124 121.223 0.060 0.000 2.191 47 L HA -0.187 4.153 4.340 0.000 0.000 0.212 47 L C 2.387 179.238 176.870 -0.032 0.000 1.103 47 L CA 0.901 55.715 54.840 -0.043 0.000 0.769 47 L CB -0.267 41.722 42.059 -0.117 0.000 0.908 47 L HN 0.073 nan 8.230 nan 0.000 0.438 48 E N 0.584 120.775 120.200 -0.015 0.000 2.031 48 E HA -0.242 4.108 4.350 0.000 0.000 0.193 48 E C 2.037 178.633 176.600 -0.006 0.000 0.994 48 E CA 1.130 57.522 56.400 -0.014 0.000 0.800 48 E CB -0.197 29.495 29.700 -0.012 0.000 0.752 48 E HN 0.246 nan 8.360 nan 0.000 0.447 49 L N 1.141 122.363 121.223 -0.002 0.000 2.079 49 L HA -0.178 4.162 4.340 0.000 0.000 0.210 49 L C 1.468 178.349 176.870 0.019 0.000 1.081 49 L CA 1.956 56.802 54.840 0.010 0.000 0.752 49 L CB -0.702 41.364 42.059 0.012 0.000 0.896 49 L HN 0.186 nan 8.230 nan 0.000 0.433 50 N N -0.982 117.726 118.700 0.014 0.000 2.104 50 N HA -0.238 4.502 4.740 0.000 0.000 0.190 50 N C 1.832 177.348 175.510 0.011 0.000 1.024 50 N CA 1.295 54.353 53.050 0.013 0.000 0.853 50 N CB -0.245 38.238 38.487 -0.007 0.000 1.008 50 N HN 0.247 nan 8.380 nan 0.000 0.424 51 L N 1.667 122.887 121.223 -0.005 0.000 1.978 51 L HA -0.255 4.085 4.340 0.000 0.000 0.218 51 L C 2.017 178.894 176.870 0.010 0.000 1.075 51 L CA 1.780 56.618 54.840 -0.003 0.000 0.767 51 L CB -0.269 41.783 42.059 -0.012 0.000 0.890 51 L HN 0.110 nan 8.230 nan 0.000 0.434 52 K N -0.872 119.536 120.400 0.013 0.000 2.209 52 K HA -0.144 4.176 4.320 0.000 0.000 0.204 52 K C 1.958 178.575 176.600 0.029 0.000 1.048 52 K CA 1.127 57.423 56.287 0.015 0.000 0.940 52 K CB -0.223 32.286 32.500 0.015 0.000 0.729 52 K HN 0.284 nan 8.250 nan 0.000 0.451 53 L N 0.683 121.936 121.223 0.050 0.000 2.127 53 L HA -0.102 4.238 4.340 0.000 0.000 0.203 53 L C 2.394 179.326 176.870 0.103 0.000 1.080 53 L CA 0.848 55.744 54.840 0.094 0.000 0.768 53 L CB -0.519 41.611 42.059 0.119 0.000 0.924 53 L HN 0.148 nan 8.230 nan 0.000 0.444 54 S N -0.040 115.704 115.700 0.075 0.000 2.407 54 S HA -0.218 4.252 4.470 0.000 0.000 0.235 54 S C 1.552 176.181 174.600 0.050 0.000 1.036 54 S CA 1.568 59.809 58.200 0.069 0.000 1.013 54 S CB -0.722 62.502 63.200 0.040 0.000 0.820 54 S HN 0.409 nan 8.310 nan 0.000 0.476 55 N N 1.477 120.192 118.700 0.024 0.000 2.626 55 N HA 0.225 4.965 4.740 0.000 0.000 0.193 55 N C -0.066 175.414 175.510 -0.050 0.000 1.213 55 N CA 0.425 53.471 53.050 -0.007 0.000 0.914 55 N CB -0.379 38.100 38.487 -0.013 0.000 0.994 55 N HN 0.561 nan 8.380 nan 0.000 0.447 56 L N -0.777 120.398 121.223 -0.080 0.000 2.323 56 L HA 0.595 4.935 4.340 0.000 0.000 0.265 56 L C -0.322 176.362 176.870 -0.309 0.000 1.012 56 L CA -1.078 53.611 54.840 -0.251 0.000 0.820 56 L CB 2.055 43.843 42.059 -0.452 0.000 1.334 56 L HN -0.353 nan 8.230 nan 0.000 0.427 57 V N 1.102 120.783 119.914 -0.388 0.000 2.540 57 V HA 0.477 4.597 4.120 0.000 0.000 0.302 57 V C -0.593 175.308 176.094 -0.322 0.000 1.035 57 V CA -0.356 61.805 62.300 -0.232 0.000 0.873 57 V CB 1.909 33.687 31.823 -0.075 0.000 0.992 57 V HN 0.395 nan 8.190 nan 0.000 0.428 58 F N 2.520 122.489 119.950 0.032 0.000 2.457 58 F HA 0.727 5.254 4.527 0.000 0.000 0.330 58 F C 0.382 176.176 175.800 -0.009 0.000 1.069 58 F CA -0.502 57.507 58.000 0.015 0.000 1.009 58 F CB 1.434 40.465 39.000 0.052 0.000 1.276 58 F HN 0.339 nan 8.300 nan 0.000 0.492 59 Q N 0.206 120.123 119.800 0.194 0.000 2.418 59 Q HA 0.322 4.662 4.340 0.000 0.000 0.282 59 Q C -0.904 175.127 176.000 0.051 0.000 1.044 59 Q CA -0.379 55.471 55.803 0.079 0.000 0.813 59 Q CB 2.478 31.238 28.738 0.037 0.000 1.428 59 Q HN 0.706 nan 8.270 nan 0.000 0.402 60 D N -0.663 119.755 120.400 0.030 0.000 4.023 60 D HA -0.168 4.472 4.640 0.000 0.000 0.192 60 D C -1.563 174.752 176.300 0.026 0.000 0.877 60 D CA 1.776 55.788 54.000 0.021 0.000 2.185 60 D CB -1.517 39.293 40.800 0.016 0.000 1.159 60 D HN 0.584 nan 8.370 nan 0.000 0.481 61 P HA 0.240 nan 4.420 nan 0.000 0.234 61 P C 0.379 177.677 177.300 -0.003 0.000 1.175 61 P CA 0.334 63.443 63.100 0.014 0.000 0.801 61 P CB 0.311 32.006 31.700 -0.009 0.000 0.891 62 V N 2.441 122.347 119.914 -0.012 0.000 2.521 62 V HA 0.039 4.159 4.120 0.000 0.000 0.286 62 V C 1.371 177.442 176.094 -0.038 0.000 1.034 62 V CA 0.526 62.815 62.300 -0.018 0.000 1.045 62 V CB 1.141 32.958 31.823 -0.011 0.000 0.974 62 V HN 0.088 nan 8.190 nan 0.000 0.480 63 Q N 3.350 123.079 119.800 -0.118 0.000 2.369 63 Q HA 0.255 4.595 4.340 0.000 0.000 0.254 63 Q C -0.757 174.787 176.000 -0.760 0.000 0.858 63 Q CA 0.652 56.219 55.803 -0.393 0.000 0.961 63 Q CB 1.142 29.642 28.738 -0.397 0.000 1.119 63 Q HN 0.781 nan 8.270 nan 0.000 0.538 64 Y N -0.717 119.584 120.300 0.002 0.000 2.524 64 Y HA 0.606 5.156 4.550 0.000 0.000 0.347 64 Y C -0.350 175.472 175.900 -0.130 0.000 1.005 64 Y CA -1.131 56.949 58.100 -0.033 0.000 1.025 64 Y CB 2.054 40.445 38.460 -0.116 0.000 1.275 64 Y HN -0.395 nan 8.280 nan 0.000 0.460 65 V N 2.710 122.654 119.914 0.051 0.000 2.841 65 V HA 0.530 4.650 4.120 0.000 0.000 0.310 65 V C -1.510 174.682 176.094 0.164 0.000 1.090 65 V CA -1.113 61.123 62.300 -0.107 0.000 0.930 65 V CB 2.330 34.101 31.823 -0.086 0.000 1.014 65 V HN 0.545 nan 8.190 nan 0.000 0.425 66 Y N 2.270 122.498 120.300 -0.119 0.000 2.470 66 Y HA 0.544 5.094 4.550 0.000 0.000 0.341 66 Y C -0.236 175.661 175.900 -0.004 0.000 1.021 66 Y CA -1.931 56.191 58.100 0.038 0.000 1.025 66 Y CB 2.282 40.793 38.460 0.085 0.000 1.266 66 Y HN 0.692 nan 8.280 nan 0.000 0.448 67 N N 4.953 123.805 118.700 0.254 0.000 2.573 67 N HA 0.347 5.087 4.740 0.000 0.000 0.262 67 N C -2.545 172.854 175.510 -0.185 0.000 1.029 67 N CA -2.419 50.648 53.050 0.029 0.000 0.882 67 N CB 2.155 40.656 38.487 0.023 0.000 1.204 67 N HN 0.119 nan 8.380 nan 0.000 0.519 68 P HA -0.025 nan 4.420 nan 0.000 0.236 68 P C 1.152 178.114 177.300 -0.563 0.000 1.172 68 P CA 0.567 63.014 63.100 -1.088 0.000 0.759 68 P CB 0.466 31.833 31.700 -0.555 0.000 0.843 69 L N -1.772 119.282 121.223 -0.280 0.000 2.446 69 L HA -0.003 4.337 4.340 0.000 0.000 0.219 69 L C 2.139 179.079 176.870 0.117 0.000 1.116 69 L CA 0.558 55.351 54.840 -0.078 0.000 0.844 69 L CB -0.170 41.852 42.059 -0.063 0.000 0.970 69 L HN -0.094 nan 8.230 nan 0.000 0.457 70 V N -0.380 119.536 119.914 0.003 0.000 2.365 70 V HA -0.256 3.864 4.120 0.000 0.000 0.232 70 V C 2.137 178.306 176.094 0.125 0.000 1.065 70 V CA 1.433 63.779 62.300 0.077 0.000 1.054 70 V CB -0.723 31.145 31.823 0.075 0.000 0.685 70 V HN 0.454 nan 8.190 nan 0.000 0.480 71 Y N 1.274 121.624 120.300 0.082 0.000 2.483 71 Y HA 0.202 4.752 4.550 -0.000 0.000 0.291 71 Y C 1.339 177.299 175.900 0.100 0.000 1.143 71 Y CA 0.985 59.125 58.100 0.066 0.000 1.289 71 Y CB -0.610 37.845 38.460 -0.008 0.000 0.983 71 Y HN 0.119 nan 8.280 nan 0.000 0.556 72 A N 0.666 123.381 122.820 -0.174 0.000 2.911 72 A HA 0.154 4.475 4.320 0.000 0.000 0.304 72 A C 1.136 178.767 177.584 0.078 0.000 1.144 72 A CA -0.544 51.496 52.037 0.005 0.000 0.988 72 A CB -1.335 17.604 19.000 -0.102 0.000 1.141 72 A HN 0.775 nan 8.150 nan 0.000 0.552 73 W N 0.607 121.930 121.300 0.037 0.000 2.407 73 W HA -0.159 4.502 4.660 0.001 0.000 0.305 73 W C 1.672 178.280 176.519 0.148 0.000 1.196 73 W CA 1.695 59.096 57.345 0.094 0.000 1.311 73 W CB -0.396 29.106 29.460 0.069 0.000 1.135 73 W HN 0.501 nan 8.180 nan 0.000 0.514 74 A N 2.061 124.951 122.820 0.117 0.000 1.884 74 A HA -0.246 4.074 4.320 0.000 0.000 0.219 74 A C -0.074 177.475 177.584 -0.058 0.000 1.197 74 A CA 2.524 54.580 52.037 0.031 0.000 0.637 74 A CB -2.303 16.763 19.000 0.110 0.000 0.827 74 A HN 0.297 nan 8.150 nan 0.000 0.450 75 P HA -0.128 nan 4.420 nan 0.000 0.218 75 P C 1.257 178.568 177.300 0.017 0.000 1.152 75 P CA 1.713 64.848 63.100 0.058 0.000 0.826 75 P CB -0.290 31.540 31.700 0.216 0.000 0.790 76 H N 0.967 119.962 119.070 -0.124 0.000 2.289 76 H HA -0.187 4.370 4.556 0.000 0.000 0.296 76 H C 2.240 177.430 175.328 -0.230 0.000 1.091 76 H CA 2.518 58.469 56.048 -0.161 0.000 1.274 76 H CB -0.429 29.194 29.762 -0.231 0.000 1.364 76 H HN 0.122 nan 8.280 nan 0.000 0.490 77 E N -0.095 119.764 120.200 -0.568 0.000 2.058 77 E HA -0.277 4.073 4.350 0.000 0.000 0.194 77 E C 2.269 178.724 176.600 -0.242 0.000 0.997 77 E CA 1.499 57.613 56.400 -0.476 0.000 0.801 77 E CB -0.376 29.078 29.700 -0.410 0.000 0.746 77 E HN 0.692 nan 8.360 nan 0.000 0.450 78 N N -1.175 117.425 118.700 -0.166 0.000 2.223 78 N HA -0.246 4.494 4.740 0.000 0.000 0.185 78 N C 2.010 177.460 175.510 -0.099 0.000 1.016 78 N CA 1.141 54.122 53.050 -0.114 0.000 0.863 78 N CB -0.197 38.242 38.487 -0.080 0.000 0.983 78 N HN 0.315 nan 8.380 nan 0.000 0.429 79 Y N 1.441 121.632 120.300 -0.181 0.000 2.163 79 Y HA -0.101 4.449 4.550 0.000 0.000 0.288 79 Y C 2.133 177.973 175.900 -0.101 0.000 1.136 79 Y CA 1.252 59.294 58.100 -0.096 0.000 1.147 79 Y CB -0.573 37.825 38.460 -0.104 0.000 0.987 79 Y HN -0.125 nan 8.280 nan 0.000 0.509 80 V N 1.078 120.845 119.914 -0.244 0.000 2.307 80 V HA -0.287 3.833 4.120 0.000 0.000 0.245 80 V C 2.442 178.365 176.094 -0.285 0.000 1.045 80 V CA 2.063 64.183 62.300 -0.299 0.000 1.024 80 V CB -0.834 30.882 31.823 -0.178 0.000 0.651 80 V HN 0.399 nan 8.190 nan 0.000 0.449 81 Q N 0.077 119.744 119.800 -0.221 0.000 2.173 81 Q HA -0.216 4.125 4.340 0.000 0.000 0.208 81 Q C 2.254 178.080 176.000 -0.290 0.000 0.989 81 Q CA 2.377 58.053 55.803 -0.212 0.000 0.872 81 Q CB -0.828 27.815 28.738 -0.158 0.000 0.909 81 Q HN 0.657 nan 8.270 nan 0.000 0.420 82 T N -0.875 113.440 114.554 -0.398 0.000 3.054 82 T HA 0.006 4.356 4.350 0.000 0.000 0.259 82 T C 0.681 174.901 174.700 -0.800 0.000 1.092 82 T CA 0.596 62.324 62.100 -0.621 0.000 1.121 82 T CB 0.009 68.379 68.868 -0.830 0.000 0.912 82 T HN 0.211 nan 8.240 nan 0.000 0.489 83 Y N -0.641 119.398 120.300 -0.435 0.000 2.527 83 Y HA 0.414 4.964 4.550 0.000 0.000 0.247 83 Y C 0.949 176.593 175.900 -0.426 0.000 1.138 83 Y CA -1.579 56.174 58.100 -0.578 0.000 1.228 83 Y CB 0.476 38.194 38.460 -1.237 0.000 1.252 83 Y HN 0.141 nan 8.280 nan 0.000 0.531 84 C N 1.626 120.715 119.300 -0.352 0.000 2.987 84 C HA 0.355 4.815 4.460 0.000 0.000 0.262 84 C C 0.978 175.772 174.990 -0.326 0.000 1.531 84 C CA -0.377 58.329 59.018 -0.520 0.000 1.571 84 C CB -1.547 25.672 27.740 -0.867 0.000 2.381 84 C HN 0.296 nan 8.230 nan 0.000 0.519 85 K N 1.463 121.733 120.400 -0.216 0.000 2.493 85 K HA 0.213 4.533 4.320 0.000 0.000 0.207 85 K C 0.308 176.837 176.600 -0.118 0.000 1.033 85 K CA 0.208 56.401 56.287 -0.158 0.000 1.161 85 K CB 0.205 32.623 32.500 -0.137 0.000 0.873 85 K HN 0.661 nan 8.250 nan 0.000 0.491 86 S N -0.720 114.902 115.700 -0.130 0.000 2.707 86 S HA 0.163 4.633 4.470 0.000 0.000 0.268 86 S C -1.820 172.732 174.600 -0.079 0.000 1.004 86 S CA -1.071 57.082 58.200 -0.079 0.000 0.902 86 S CB 0.694 63.866 63.200 -0.047 0.000 1.157 86 S HN 0.015 nan 8.310 nan 0.000 0.468 87 K N 0.742 121.121 120.400 -0.034 0.000 2.095 87 K HA 0.607 4.927 4.320 0.000 0.000 0.252 87 K C -0.795 175.808 176.600 0.004 0.000 0.977 87 K CA -1.029 55.238 56.287 -0.033 0.000 0.900 87 K CB 0.786 33.277 32.500 -0.014 0.000 1.060 87 K HN 0.464 nan 8.250 nan 0.000 0.449 88 K N 1.984 122.386 120.400 0.003 0.000 2.324 88 K HA 0.167 4.487 4.320 0.000 0.000 0.253 88 K C 0.285 176.908 176.600 0.038 0.000 0.932 88 K CA -0.593 55.722 56.287 0.045 0.000 0.799 88 K CB 1.897 34.431 32.500 0.057 0.000 1.154 88 K HN 0.448 nan 8.250 nan 0.000 0.425 89 E N 0.703 120.927 120.200 0.040 0.000 2.046 89 E HA 0.001 4.351 4.350 0.000 0.000 0.190 89 E C 0.170 176.760 176.600 -0.017 0.000 0.982 89 E CA 0.846 57.237 56.400 -0.016 0.000 0.800 89 E CB 0.336 29.985 29.700 -0.086 0.000 0.756 89 E HN 0.315 nan 8.360 nan 0.000 0.449 90 V N 0.951 120.856 119.914 -0.015 0.000 2.581 90 V HA 0.369 4.489 4.120 0.000 0.000 0.303 90 V C -0.804 175.284 176.094 -0.010 0.000 1.041 90 V CA -0.993 61.256 62.300 -0.084 0.000 0.907 90 V CB 1.893 33.592 31.823 -0.207 0.000 0.994 90 V HN 0.059 nan 8.190 nan 0.000 0.442 91 L N 4.555 125.763 121.223 -0.025 0.000 2.342 91 L HA 0.628 4.968 4.340 0.000 0.000 0.276 91 L C -0.919 176.001 176.870 0.083 0.000 0.997 91 L CA 0.080 55.013 54.840 0.155 0.000 0.838 91 L CB 0.903 43.102 42.059 0.233 0.000 1.224 91 L HN 0.442 nan 8.230 nan 0.000 0.416 92 F N 5.278 125.370 119.950 0.238 0.000 2.399 92 F HA 0.531 5.058 4.527 0.000 0.000 0.342 92 F C -0.062 175.900 175.800 0.270 0.000 1.106 92 F CA -0.122 58.024 58.000 0.244 0.000 1.196 92 F CB 1.357 40.525 39.000 0.281 0.000 1.163 92 F HN 0.374 nan 8.300 nan 0.000 0.547 93 L N 2.702 124.182 121.223 0.428 0.000 2.439 93 L HA 0.757 5.097 4.340 0.000 0.000 0.270 93 L C -0.378 176.703 176.870 0.352 0.000 0.972 93 L CA 0.035 55.090 54.840 0.357 0.000 0.836 93 L CB 1.493 43.733 42.059 0.302 0.000 1.255 93 L HN 0.621 nan 8.230 nan 0.000 0.404 94 G N 3.214 112.188 108.800 0.291 0.000 2.552 94 G HA2 0.406 4.366 3.960 0.000 0.000 0.324 94 G HA3 0.406 4.366 3.960 0.000 0.000 0.324 94 G C 0.112 175.101 174.900 0.149 0.000 1.217 94 G CA -0.392 44.851 45.100 0.238 0.000 0.989 94 G HN 0.731 nan 8.290 nan 0.000 0.490 95 M N -0.072 119.599 119.600 0.120 0.000 2.100 95 M HA 0.129 4.609 4.480 0.000 0.000 0.254 95 M C 0.628 176.925 176.300 -0.005 0.000 1.106 95 M CA 0.937 56.293 55.300 0.093 0.000 1.127 95 M CB -0.004 32.568 32.600 -0.046 0.000 1.263 95 M HN 0.694 nan 8.290 nan 0.000 0.427 96 N N -0.101 118.530 118.700 -0.115 0.000 2.697 96 N HA 0.473 5.213 4.740 0.000 0.000 0.272 96 N C -3.057 172.325 175.510 -0.214 0.000 1.381 96 N CA -1.732 51.238 53.050 -0.135 0.000 0.797 96 N CB 0.085 38.512 38.487 -0.099 0.000 1.523 96 N HN 0.043 nan 8.380 nan 0.000 0.518 97 P HA 0.144 nan 4.420 nan 0.000 0.266 97 P C 0.219 177.388 177.300 -0.219 0.000 1.193 97 P CA 0.188 63.153 63.100 -0.224 0.000 0.770 97 P CB 0.151 31.745 31.700 -0.177 0.000 0.836 98 G N 2.320 110.989 108.800 -0.218 0.000 2.462 98 G HA2 0.370 4.330 3.960 0.000 0.000 0.319 98 G HA3 0.370 4.330 3.960 0.000 0.000 0.319 98 G C -1.592 173.152 174.900 -0.259 0.000 1.171 98 G CA -1.471 43.500 45.100 -0.214 0.000 0.920 98 G HN 0.268 nan 8.290 nan 0.000 0.499 99 P HA -0.103 nan 4.420 nan 0.000 0.218 99 P C 0.339 177.194 177.300 -0.741 0.000 1.146 99 P CA 1.301 63.992 63.100 -0.682 0.000 0.813 99 P CB 0.082 31.079 31.700 -1.171 0.000 0.778 100 F N -1.978 117.951 119.950 -0.035 0.000 2.729 100 F HA 0.429 4.956 4.527 0.000 0.000 0.315 100 F C 1.878 177.654 175.800 -0.040 0.000 1.102 100 F CA -0.190 57.791 58.000 -0.032 0.000 1.204 100 F CB -0.017 38.966 39.000 -0.028 0.000 1.052 100 F HN -0.092 nan 8.300 nan 0.000 0.551 101 G N -0.216 108.606 108.800 0.037 0.000 2.694 101 G HA2 0.081 4.041 3.960 0.000 0.000 0.212 101 G HA3 0.081 4.041 3.960 0.000 0.000 0.212 101 G C 1.220 176.094 174.900 -0.044 0.000 2.030 101 G CA 0.051 45.159 45.100 0.013 0.000 0.731 101 G HN 0.081 nan 8.290 nan 0.000 0.795 102 M N 1.098 120.649 119.600 -0.081 0.000 2.267 102 M HA 0.028 4.508 4.480 0.000 0.000 0.263 102 M C 2.440 178.695 176.300 -0.074 0.000 1.063 102 M CA 1.700 56.945 55.300 -0.091 0.000 1.090 102 M CB -0.070 32.453 32.600 -0.128 0.000 1.392 102 M HN 0.334 nan 8.290 nan 0.000 0.422 103 A N -0.250 122.538 122.820 -0.053 0.000 2.125 103 A HA -0.164 4.156 4.320 0.000 0.000 0.219 103 A C 1.884 179.539 177.584 0.119 0.000 1.156 103 A CA 1.377 53.441 52.037 0.045 0.000 0.671 103 A CB -0.287 18.743 19.000 0.050 0.000 0.794 103 A HN 0.665 nan 8.150 nan 0.000 0.459 104 Q N -1.873 117.942 119.800 0.024 0.000 2.471 104 Q HA 0.000 4.340 4.340 0.000 0.000 0.241 104 Q C 1.827 177.756 176.000 -0.119 0.000 0.886 104 Q CA 1.574 57.376 55.803 -0.002 0.000 0.953 104 Q CB -0.186 28.525 28.738 -0.047 0.000 1.108 104 Q HN 0.762 nan 8.270 nan 0.000 0.575 105 T N -3.035 111.407 114.554 -0.185 0.000 3.040 105 T HA 0.295 4.645 4.350 0.000 0.000 0.250 105 T C 1.475 176.156 174.700 -0.032 0.000 1.058 105 T CA 0.746 62.688 62.100 -0.262 0.000 0.988 105 T CB 0.501 69.193 68.868 -0.293 0.000 0.993 105 T HN 0.380 nan 8.240 nan 0.000 0.519 106 G N 1.121 109.897 108.800 -0.041 0.000 2.238 106 G HA2 -0.271 3.689 3.960 0.000 0.000 0.270 106 G HA3 -0.271 3.689 3.960 0.000 0.000 0.270 106 G C 0.154 175.087 174.900 0.055 0.000 0.977 106 G CA 0.432 45.530 45.100 -0.003 0.000 0.639 106 G HN 0.724 nan 8.290 nan 0.000 0.544 107 V N 1.964 121.851 119.914 -0.045 0.000 2.532 107 V HA 0.520 4.640 4.120 0.000 0.000 0.295 107 V C -1.704 174.316 176.094 -0.124 0.000 1.041 107 V CA -1.749 60.414 62.300 -0.229 0.000 0.926 107 V CB 1.859 33.523 31.823 -0.264 0.000 0.992 107 V HN 0.065 nan 8.190 nan 0.000 0.457 108 P HA 0.284 nan 4.420 nan 0.000 0.272 108 P C -0.077 177.297 177.300 0.124 0.000 1.223 108 P CA -0.182 62.893 63.100 -0.041 0.000 0.784 108 P CB 0.088 31.813 31.700 0.041 0.000 0.923 109 F N -0.524 119.370 119.950 -0.094 0.000 3.056 109 F HA -0.193 4.335 4.527 0.001 0.000 0.266 109 F C 1.435 177.376 175.800 0.235 0.000 0.957 109 F CA 1.165 59.108 58.000 -0.095 0.000 0.894 109 F CB -2.306 36.354 39.000 -0.566 0.000 0.832 109 F HN 0.458 nan 8.300 nan 0.000 0.745 110 G N 1.028 109.956 108.800 0.212 0.000 3.353 110 G HA2 0.035 3.995 3.960 0.000 0.000 0.247 110 G HA3 0.035 3.995 3.960 0.000 0.000 0.247 110 G C 0.411 175.372 174.900 0.100 0.000 1.025 110 G CA -0.291 44.894 45.100 0.142 0.000 1.863 110 G HN 0.422 nan 8.290 nan 0.000 0.635 111 E N 0.613 120.924 120.200 0.186 0.000 2.694 111 E HA -0.069 4.281 4.350 0.000 0.000 0.250 111 E C 1.424 178.098 176.600 0.125 0.000 0.963 111 E CA -0.153 56.341 56.400 0.157 0.000 0.949 111 E CB 0.862 30.689 29.700 0.213 0.000 0.911 111 E HN 0.105 nan 8.360 nan 0.000 0.500 112 V N 5.466 125.410 119.914 0.049 0.000 2.278 112 V HA -0.360 3.760 4.120 0.000 0.000 0.251 112 V C 1.970 178.151 176.094 0.144 0.000 1.062 112 V CA 2.207 64.518 62.300 0.019 0.000 1.038 112 V CB -0.520 31.288 31.823 -0.025 0.000 0.646 112 V HN 0.619 nan 8.190 nan 0.000 0.447 113 N N -0.584 118.203 118.700 0.144 0.000 2.188 113 N HA -0.144 4.596 4.740 0.000 0.000 0.184 113 N C 1.774 177.342 175.510 0.096 0.000 1.018 113 N CA 1.609 54.720 53.050 0.102 0.000 0.858 113 N CB -0.382 38.115 38.487 0.016 0.000 0.989 113 N HN 0.634 nan 8.380 nan 0.000 0.426 114 H N -0.128 119.004 119.070 0.104 0.000 2.415 114 H HA 0.141 4.697 4.556 0.000 0.000 0.297 114 H C 2.111 177.492 175.328 0.089 0.000 1.048 114 H CA 0.419 56.535 56.048 0.115 0.000 1.365 114 H CB -0.065 29.772 29.762 0.124 0.000 1.421 114 H HN -0.105 nan 8.280 nan 0.000 0.533 115 V N 0.721 120.740 119.914 0.174 0.000 2.255 115 V HA -0.289 3.831 4.120 0.000 0.000 0.247 115 V C 2.544 178.753 176.094 0.191 0.000 1.051 115 V CA 2.265 64.628 62.300 0.106 0.000 1.018 115 V CB -0.348 31.549 31.823 0.123 0.000 0.641 115 V HN 0.367 nan 8.190 nan 0.000 0.445 116 R N -0.331 120.324 120.500 0.257 0.000 2.062 116 R HA -0.133 4.207 4.340 0.000 0.000 0.229 116 R C 1.866 178.231 176.300 0.109 0.000 1.128 116 R CA 1.900 58.102 56.100 0.171 0.000 0.960 116 R CB -0.202 30.225 30.300 0.212 0.000 0.855 116 R HN 0.502 nan 8.270 nan 0.000 0.432 117 D N -1.507 118.965 120.400 0.120 0.000 2.305 117 D HA -0.078 4.562 4.640 0.000 0.000 0.206 117 D C 1.127 177.539 176.300 0.187 0.000 0.974 117 D CA 0.619 54.683 54.000 0.106 0.000 0.871 117 D CB 0.025 40.864 40.800 0.066 0.000 0.947 117 D HN 0.331 nan 8.370 nan 0.000 0.516 118 W N 0.464 121.767 121.300 0.005 0.000 3.033 118 W HA 0.254 4.914 4.660 0.000 0.000 0.250 118 W C 1.653 178.192 176.519 0.034 0.000 1.105 118 W CA 0.131 57.490 57.345 0.024 0.000 1.655 118 W CB -0.164 29.326 29.460 0.049 0.000 1.001 118 W HN -0.238 nan 8.180 nan 0.000 0.653 119 L N 0.688 121.932 121.223 0.034 0.000 2.156 119 L HA -0.025 4.315 4.340 0.000 0.000 0.208 119 L C 0.674 177.573 176.870 0.049 0.000 1.095 119 L CA 1.175 55.960 54.840 -0.091 0.000 0.770 119 L CB -0.626 41.367 42.059 -0.110 0.000 0.914 119 L HN 0.048 nan 8.230 nan 0.000 0.439 120 Q N 0.726 120.552 119.800 0.044 0.000 2.454 120 Q HA -0.155 4.185 4.340 0.000 0.000 0.307 120 Q C -0.895 175.101 176.000 -0.007 0.000 1.430 120 Q CA 0.363 56.173 55.803 0.013 0.000 0.786 120 Q CB -1.210 27.520 28.738 -0.013 0.000 1.115 120 Q HN 0.296 nan 8.270 nan 0.000 0.389 121 I N 1.642 122.211 120.570 -0.001 0.000 2.439 121 I HA 0.300 4.471 4.170 0.000 0.000 0.285 121 I C 0.642 176.627 176.117 -0.220 0.000 1.021 121 I CA -0.135 61.147 61.300 -0.031 0.000 1.091 121 I CB 1.619 39.671 38.000 0.088 0.000 1.242 121 I HN 0.309 nan 8.210 nan 0.000 0.439 122 E N 5.417 125.425 120.200 -0.319 0.000 2.320 122 E HA 0.899 5.249 4.350 0.000 0.000 0.264 122 E C -0.721 175.690 176.600 -0.314 0.000 0.923 122 E CA -0.917 55.122 56.400 -0.602 0.000 0.796 122 E CB 3.214 32.648 29.700 -0.442 0.000 1.262 122 E HN 0.647 nan 8.360 nan 0.000 0.428 123 G N 1.284 109.918 108.800 -0.276 0.000 2.442 123 G HA2 0.359 4.319 3.960 0.000 0.000 0.296 123 G HA3 0.359 4.319 3.960 0.000 0.000 0.296 123 G C -3.091 171.850 174.900 0.068 0.000 1.564 123 G CA -0.974 44.109 45.100 -0.028 0.000 0.828 123 G HN 0.482 nan 8.290 nan 0.000 0.571 124 P HA 0.660 nan 4.420 nan 0.000 0.282 124 P C -0.748 176.656 177.300 0.173 0.000 1.249 124 P CA -0.550 62.624 63.100 0.123 0.000 0.806 124 P CB 2.084 33.839 31.700 0.091 0.000 0.984 125 V N 1.436 121.462 119.914 0.187 0.000 2.789 125 V HA 0.412 4.533 4.120 0.000 0.000 0.311 125 V C 0.659 176.849 176.094 0.159 0.000 1.073 125 V CA -0.259 62.166 62.300 0.208 0.000 0.921 125 V CB 1.875 33.833 31.823 0.226 0.000 1.009 125 V HN 0.837 nan 8.190 nan 0.000 0.426 126 S N 3.239 119.041 115.700 0.171 0.000 3.124 126 S HA 0.699 5.169 4.470 0.000 0.000 0.234 126 S C -0.531 174.033 174.600 -0.061 0.000 1.045 126 S CA -0.721 57.517 58.200 0.064 0.000 1.200 126 S CB 1.018 64.258 63.200 0.068 0.000 1.186 126 S HN 0.779 nan 8.310 nan 0.000 0.617 127 K N 1.043 121.336 120.400 -0.178 0.000 2.482 127 K HA 0.489 4.809 4.320 0.000 0.000 0.251 127 K C -3.440 172.860 176.600 -0.500 0.000 0.936 127 K CA -1.833 54.211 56.287 -0.405 0.000 0.791 127 K CB 1.649 34.004 32.500 -0.242 0.000 1.213 127 K HN 0.357 nan 8.250 nan 0.000 0.428 128 P HA 0.002 nan 4.420 nan 0.000 0.269 128 P C 0.128 177.277 177.300 -0.250 0.000 1.217 128 P CA 0.150 62.916 63.100 -0.558 0.000 0.783 128 P CB 0.737 31.870 31.700 -0.946 0.000 0.898 129 E N -0.220 119.935 120.200 -0.075 0.000 2.160 129 E HA -0.059 4.291 4.350 0.000 0.000 0.195 129 E C 0.136 176.744 176.600 0.013 0.000 0.991 129 E CA 0.955 57.347 56.400 -0.013 0.000 0.810 129 E CB -0.065 29.654 29.700 0.033 0.000 0.742 129 E HN 0.213 nan 8.360 nan 0.000 0.466 130 V N 1.562 121.518 119.914 0.069 0.000 2.482 130 V HA 0.237 4.357 4.120 0.000 0.000 0.295 130 V C -0.546 175.681 176.094 0.222 0.000 1.026 130 V CA -0.697 61.695 62.300 0.154 0.000 0.856 130 V CB 1.693 33.669 31.823 0.255 0.000 1.001 130 V HN 0.012 nan 8.190 nan 0.000 0.424 131 E N 2.649 122.897 120.200 0.081 0.000 2.204 131 E HA 0.374 4.724 4.350 0.000 0.000 0.276 131 E C -0.817 175.746 176.600 -0.062 0.000 0.974 131 E CA -0.762 55.663 56.400 0.041 0.000 0.815 131 E CB 1.549 31.200 29.700 -0.083 0.000 1.119 131 E HN 0.698 nan 8.360 nan 0.000 0.393 132 H N 4.596 123.470 119.070 -0.326 0.000 2.610 132 H HA 0.104 4.660 4.556 0.000 0.000 0.336 132 H C -1.763 173.455 175.328 -0.182 0.000 1.087 132 H CA -2.149 53.581 56.048 -0.530 0.000 1.405 132 H CB 1.348 30.610 29.762 -0.834 0.000 1.460 132 H HN 0.360 nan 8.280 nan 0.000 0.538 133 P HA -0.124 nan 4.420 nan 0.000 0.218 133 P C 0.911 178.298 177.300 0.145 0.000 1.149 133 P CA 0.911 64.004 63.100 -0.012 0.000 0.817 133 P CB 0.514 32.152 31.700 -0.104 0.000 0.785 134 K N -0.415 120.212 120.400 0.377 0.000 2.525 134 K HA 0.036 4.356 4.320 0.000 0.000 0.192 134 K C 0.827 177.493 176.600 0.109 0.000 1.029 134 K CA 0.410 56.807 56.287 0.183 0.000 1.029 134 K CB 0.154 32.711 32.500 0.095 0.000 0.814 134 K HN 0.151 nan 8.250 nan 0.000 0.503 135 R N 1.113 121.679 120.500 0.110 0.000 2.674 135 R HA 0.203 4.543 4.340 0.000 0.000 0.270 135 R C -0.379 175.993 176.300 0.120 0.000 1.492 135 R CA -0.253 55.893 56.100 0.076 0.000 1.624 135 R CB 0.824 31.105 30.300 -0.031 0.000 1.307 135 R HN -0.074 nan 8.270 nan 0.000 0.683 136 R N 1.030 121.581 120.500 0.085 0.000 2.459 136 R HA 0.418 4.758 4.340 0.000 0.000 0.281 136 R C 0.262 176.558 176.300 -0.007 0.000 1.050 136 R CA -0.731 55.376 56.100 0.012 0.000 1.055 136 R CB 1.384 31.693 30.300 0.015 0.000 1.045 136 R HN 0.111 nan 8.270 nan 0.000 0.495 137 I N 4.119 124.623 120.570 -0.110 0.000 2.304 137 I HA 0.214 4.384 4.170 0.000 0.000 0.291 137 I C 1.273 177.357 176.117 -0.055 0.000 1.018 137 I CA 0.084 61.320 61.300 -0.107 0.000 1.260 137 I CB 1.098 38.903 38.000 -0.324 0.000 1.390 137 I HN 0.515 nan 8.210 nan 0.000 0.475 138 R N 3.667 124.167 120.500 -0.001 0.000 2.508 138 R HA 0.354 4.695 4.340 0.000 0.000 0.300 138 R C 1.016 177.332 176.300 0.026 0.000 0.970 138 R CA 0.179 56.286 56.100 0.011 0.000 1.102 138 R CB 0.839 31.151 30.300 0.020 0.000 1.246 138 R HN 0.902 nan 8.270 nan 0.000 0.539 139 G N 1.620 110.427 108.800 0.011 0.000 2.528 139 G HA2 -0.359 3.601 3.960 0.000 0.000 0.262 139 G HA3 -0.359 3.601 3.960 0.000 0.000 0.262 139 G C 0.242 175.066 174.900 -0.128 0.000 1.200 139 G CA 0.027 45.128 45.100 0.003 0.000 0.951 139 G HN 0.198 nan 8.290 nan 0.000 0.566 140 F N 1.901 121.884 119.950 0.054 0.000 2.722 140 F HA 0.243 4.770 4.527 -0.000 0.000 0.298 140 F C 2.274 178.097 175.800 0.037 0.000 1.175 140 F CA 1.560 59.587 58.000 0.045 0.000 1.462 140 F CB 0.136 39.157 39.000 0.035 0.000 1.111 140 F HN 0.425 nan 8.300 nan 0.000 0.592 141 E N -1.042 119.230 120.200 0.121 0.000 2.437 141 E HA 0.081 4.431 4.350 0.000 0.000 0.195 141 E C 0.002 176.625 176.600 0.038 0.000 1.029 141 E CA -0.283 56.165 56.400 0.080 0.000 0.948 141 E CB 0.037 29.780 29.700 0.071 0.000 1.082 141 E HN 0.163 nan 8.360 nan 0.000 0.456 142 C N 2.525 121.834 119.300 0.016 0.000 2.638 142 C HA 0.059 4.519 4.460 0.000 0.000 0.410 142 C C -0.609 174.377 174.990 -0.006 0.000 1.404 142 C CA -1.488 57.535 59.018 0.007 0.000 1.651 142 C CB 0.344 28.091 27.740 0.012 0.000 2.495 142 C HN 0.403 nan 8.230 nan 0.000 0.606 143 P HA -0.063 nan 4.420 nan 0.000 0.215 143 P C 0.065 177.311 177.300 -0.090 0.000 1.157 143 P CA 1.180 64.251 63.100 -0.049 0.000 0.859 143 P CB -0.060 31.608 31.700 -0.054 0.000 0.786 144 Q N 0.160 119.853 119.800 -0.179 0.000 2.364 144 Q HA 0.289 4.629 4.340 0.000 0.000 0.267 144 Q C 0.210 176.120 176.000 -0.149 0.000 0.999 144 Q CA 0.410 56.034 55.803 -0.299 0.000 0.886 144 Q CB 0.081 28.339 28.738 -0.799 0.000 1.243 144 Q HN -0.045 nan 8.270 nan 0.000 0.415 145 S N 1.271 116.908 115.700 -0.104 0.000 2.442 145 S HA 0.183 4.653 4.470 0.000 0.000 0.297 145 S C -0.723 173.894 174.600 0.028 0.000 1.131 145 S CA -0.714 57.482 58.200 -0.006 0.000 1.092 145 S CB 0.565 63.777 63.200 0.019 0.000 0.998 145 S HN 0.558 nan 8.310 nan 0.000 0.478 146 E N 3.919 124.179 120.200 0.100 0.000 2.217 146 E HA 0.193 4.544 4.350 0.000 0.000 0.279 146 E C 0.869 177.511 176.600 0.070 0.000 1.068 146 E CA -0.418 56.059 56.400 0.129 0.000 0.882 146 E CB 0.604 30.394 29.700 0.151 0.000 1.039 146 E HN 0.495 nan 8.360 nan 0.000 0.418 147 V N 3.617 123.556 119.914 0.041 0.000 2.343 147 V HA -0.268 3.852 4.120 0.000 0.000 0.247 147 V C 1.931 177.987 176.094 -0.064 0.000 1.051 147 V CA 2.090 64.383 62.300 -0.013 0.000 1.036 147 V CB -0.477 31.332 31.823 -0.024 0.000 0.654 147 V HN 0.697 nan 8.190 nan 0.000 0.451 148 S N 0.855 116.530 115.700 -0.040 0.000 2.368 148 S HA -0.133 4.337 4.470 0.000 0.000 0.225 148 S C 2.053 176.625 174.600 -0.047 0.000 1.030 148 S CA 1.456 59.598 58.200 -0.096 0.000 0.999 148 S CB -0.696 62.533 63.200 0.050 0.000 0.844 148 S HN 0.690 nan 8.310 nan 0.000 0.459 149 G N 1.107 109.952 108.800 0.076 0.000 2.408 149 G HA2 0.116 4.076 3.960 0.000 0.000 0.215 149 G HA3 0.116 4.076 3.960 0.000 0.000 0.215 149 G C 1.548 176.494 174.900 0.076 0.000 1.156 149 G CA 0.672 45.878 45.100 0.177 0.000 0.793 149 G HN 0.564 nan 8.290 nan 0.000 0.535 150 A N 1.133 123.950 122.820 -0.006 0.000 1.902 150 A HA -0.015 4.305 4.320 0.000 0.000 0.217 150 A C 2.420 179.854 177.584 -0.250 0.000 1.181 150 A CA 1.628 53.570 52.037 -0.158 0.000 0.623 150 A CB -0.402 18.614 19.000 0.026 0.000 0.818 150 A HN 0.342 nan 8.150 nan 0.000 0.443 151 R N -1.919 118.448 120.500 -0.221 0.000 2.091 151 R HA -0.139 4.201 4.340 0.000 0.000 0.238 151 R C 2.001 178.120 176.300 -0.301 0.000 1.136 151 R CA 1.643 57.575 56.100 -0.280 0.000 0.959 151 R CB -0.549 29.446 30.300 -0.507 0.000 0.856 151 R HN 0.607 nan 8.270 nan 0.000 0.437 152 F N -0.155 119.463 119.950 -0.553 0.000 2.046 152 F HA -0.240 4.287 4.527 0.000 0.000 0.297 152 F C 1.534 176.974 175.800 -0.601 0.000 1.123 152 F CA 1.636 59.245 58.000 -0.652 0.000 1.199 152 F CB -0.178 38.218 39.000 -1.007 0.000 0.972 152 F HN 0.005 nan 8.300 nan 0.000 0.474 153 W N -0.712 120.416 121.300 -0.288 0.000 2.770 153 W HA 0.041 4.701 4.660 0.000 0.000 0.256 153 W C 2.788 178.951 176.519 -0.594 0.000 1.291 153 W CA 0.739 57.849 57.345 -0.392 0.000 1.396 153 W CB -0.517 28.816 29.460 -0.212 0.000 1.114 153 W HN 0.018 nan 8.180 nan 0.000 0.637 154 S N 0.538 115.995 115.700 -0.405 0.000 2.414 154 S HA -0.129 4.341 4.470 0.000 0.000 0.227 154 S C 1.898 176.300 174.600 -0.331 0.000 1.022 154 S CA 0.837 58.879 58.200 -0.264 0.000 0.958 154 S CB -0.328 62.805 63.200 -0.111 0.000 0.797 154 S HN 0.238 nan 8.310 nan 0.000 0.493 155 L N 0.164 121.126 121.223 -0.435 0.000 1.989 155 L HA -0.074 4.266 4.340 0.000 0.000 0.211 155 L C 1.914 178.369 176.870 -0.690 0.000 1.071 155 L CA 2.158 56.633 54.840 -0.607 0.000 0.749 155 L CB -0.953 40.554 42.059 -0.920 0.000 0.890 155 L HN 0.374 nan 8.230 nan 0.000 0.431 156 F N 0.646 120.264 119.950 -0.553 0.000 2.259 156 F HA -0.156 4.372 4.527 0.000 0.000 0.298 156 F C 2.651 178.216 175.800 -0.391 0.000 1.088 156 F CA 1.482 59.195 58.000 -0.478 0.000 1.358 156 F CB -0.582 37.931 39.000 -0.811 0.000 1.040 156 F HN 0.141 nan 8.300 nan 0.000 0.505 157 K N 0.017 120.052 120.400 -0.607 0.000 2.097 157 K HA -0.119 4.201 4.320 0.000 0.000 0.205 157 K C 2.023 178.451 176.600 -0.288 0.000 1.050 157 K CA 1.630 57.426 56.287 -0.818 0.000 0.938 157 K CB -0.182 31.541 32.500 -1.295 0.000 0.718 157 K HN 0.087 nan 8.250 nan 0.000 0.442 158 S N 0.808 116.361 115.700 -0.245 0.000 2.406 158 S HA -0.048 4.422 4.470 0.000 0.000 0.228 158 S C 1.566 176.126 174.600 -0.067 0.000 1.020 158 S CA 0.553 58.674 58.200 -0.133 0.000 0.965 158 S CB -0.106 63.005 63.200 -0.148 0.000 0.798 158 S HN 0.212 nan 8.310 nan 0.000 0.488 159 L N 0.634 121.817 121.223 -0.067 0.000 2.131 159 L HA 0.097 4.438 4.340 0.000 0.000 0.206 159 L C 1.658 178.586 176.870 0.095 0.000 1.087 159 L CA 1.528 56.368 54.840 0.001 0.000 0.767 159 L CB -0.493 41.573 42.059 0.012 0.000 0.917 159 L HN 0.354 nan 8.230 nan 0.000 0.441 160 C N -1.997 117.404 119.300 0.169 0.000 3.364 160 C HA 0.649 5.109 4.460 0.000 0.000 0.340 160 C C 1.899 177.056 174.990 0.277 0.000 1.336 160 C CA -0.152 59.019 59.018 0.255 0.000 1.778 160 C CB -0.231 27.749 27.740 0.400 0.000 2.398 160 C HN 0.724 nan 8.230 nan 0.000 0.667 161 G N 0.753 109.719 108.800 0.277 0.000 4.655 161 G HA2 -0.204 3.756 3.960 0.000 0.000 0.220 161 G HA3 -0.204 3.756 3.960 0.000 0.000 0.220 161 G C -0.120 175.091 174.900 0.518 0.000 1.403 161 G CA 0.505 45.783 45.100 0.297 0.000 0.931 161 G HN 0.435 nan 8.290 nan 0.000 0.654 162 Q N 1.025 121.084 119.800 0.431 0.000 2.337 162 Q HA 0.464 4.805 4.340 0.000 0.000 0.270 162 Q C -1.759 174.305 176.000 0.108 0.000 1.043 162 Q CA -1.605 54.334 55.803 0.228 0.000 0.794 162 Q CB 2.357 31.178 28.738 0.138 0.000 1.281 162 Q HN 0.272 nan 8.270 nan 0.000 0.446 163 P HA -0.221 nan 4.420 nan 0.000 0.217 163 P C 0.399 177.808 177.300 0.181 0.000 1.151 163 P CA 1.487 64.336 63.100 -0.419 0.000 0.849 163 P CB 0.580 31.875 31.700 -0.675 0.000 0.787 164 E N -0.584 119.726 120.200 0.184 0.000 2.051 164 E HA -0.130 4.220 4.350 0.000 0.000 0.192 164 E C 2.120 178.829 176.600 0.181 0.000 0.991 164 E CA 1.665 58.202 56.400 0.229 0.000 0.799 164 E CB -1.741 28.037 29.700 0.128 0.000 0.748 164 E HN 0.224 nan 8.360 nan 0.000 0.449 165 T N 0.601 115.248 114.554 0.154 0.000 2.737 165 T HA -0.202 4.148 4.350 0.000 0.000 0.269 165 T C 1.513 176.299 174.700 0.143 0.000 1.040 165 T CA 1.537 63.717 62.100 0.133 0.000 1.142 165 T CB -0.381 68.588 68.868 0.168 0.000 0.861 165 T HN 0.274 nan 8.240 nan 0.000 0.456 166 F N 0.223 120.200 119.950 0.045 0.000 2.387 166 F HA 0.247 4.774 4.527 0.000 0.000 0.294 166 F C 1.290 176.982 175.800 -0.179 0.000 1.093 166 F CA 0.370 58.319 58.000 -0.085 0.000 1.420 166 F CB -0.115 38.812 39.000 -0.121 0.000 1.086 166 F HN 0.047 nan 8.300 nan 0.000 0.531 167 F N 0.927 120.908 119.950 0.052 0.000 2.780 167 F HA 0.156 4.684 4.527 0.000 0.000 0.299 167 F C 2.113 177.866 175.800 -0.079 0.000 1.146 167 F CA 0.364 58.348 58.000 -0.027 0.000 1.428 167 F CB -0.595 38.523 39.000 0.197 0.000 1.115 167 F HN -0.100 nan 8.300 nan 0.000 0.583 168 K N 0.086 120.480 120.400 -0.009 0.000 2.015 168 K HA -0.207 4.114 4.320 0.000 0.000 0.216 168 K C 1.470 177.858 176.600 -0.354 0.000 1.052 168 K CA 1.845 58.004 56.287 -0.213 0.000 0.937 168 K CB -0.204 32.079 32.500 -0.362 0.000 0.719 168 K HN 0.211 nan 8.250 nan 0.000 0.446 169 H N -1.658 117.398 119.070 -0.023 0.000 2.529 169 H HA 0.258 4.814 4.556 0.000 0.000 0.277 169 H C -0.072 175.213 175.328 -0.071 0.000 1.004 169 H CA -0.167 55.855 56.048 -0.043 0.000 1.167 169 H CB -0.252 29.483 29.762 -0.045 0.000 1.445 169 H HN 0.132 nan 8.280 nan 0.000 0.554 170 C N -0.190 119.074 119.300 -0.061 0.000 3.108 170 C HA 0.678 5.138 4.460 0.000 0.000 0.321 170 C C -0.414 174.704 174.990 0.214 0.000 1.357 170 C CA -0.741 58.224 59.018 -0.089 0.000 1.562 170 C CB 2.066 29.483 27.740 -0.537 0.000 2.003 170 C HN 0.319 nan 8.230 nan 0.000 0.460 171 F N -0.467 119.566 119.950 0.138 0.000 2.817 171 F HA 0.768 5.295 4.527 0.000 0.000 0.317 171 F C -1.504 174.628 175.800 0.553 0.000 1.168 171 F CA -0.669 57.566 58.000 0.393 0.000 0.911 171 F CB 1.117 40.242 39.000 0.208 0.000 1.337 171 F HN 0.388 nan 8.300 nan 0.000 0.464 172 V N 1.934 121.788 119.914 -0.100 0.000 2.971 172 V HA 0.643 4.764 4.120 0.000 0.000 0.309 172 V C -1.573 174.675 176.094 0.256 0.000 1.130 172 V CA -0.661 61.801 62.300 0.271 0.000 0.964 172 V CB 2.062 34.099 31.823 0.358 0.000 1.029 172 V HN 1.022 nan 8.190 nan 0.000 0.427 173 H N 2.252 121.501 119.070 0.298 0.000 3.003 173 H HA 0.551 5.107 4.556 0.000 0.000 0.327 173 H C -1.625 173.890 175.328 0.310 0.000 1.353 173 H CA -0.514 55.762 56.048 0.380 0.000 1.142 173 H CB 1.778 31.903 29.762 0.604 0.000 1.864 173 H HN 0.589 nan 8.280 nan 0.000 0.529 174 N N 0.612 118.946 118.700 -0.610 0.000 2.319 174 N HA 0.111 4.852 4.740 0.000 0.000 0.305 174 N C 0.528 175.787 175.510 -0.419 0.000 1.103 174 N CA -0.532 52.304 53.050 -0.356 0.000 0.815 174 N CB 1.492 39.847 38.487 -0.220 0.000 1.288 174 N HN 0.754 nan 8.380 nan 0.000 0.493 175 H N 0.482 119.480 119.070 -0.121 0.000 2.326 175 H HA 0.001 4.558 4.556 0.000 0.000 0.301 175 H C -0.043 175.319 175.328 0.056 0.000 1.081 175 H CA 1.113 57.183 56.048 0.037 0.000 1.334 175 H CB 0.458 30.325 29.762 0.174 0.000 1.385 175 H HN 0.403 nan 8.280 nan 0.000 0.504 176 C N 2.331 121.650 119.300 0.032 0.000 2.455 176 C HA 0.384 4.845 4.460 0.000 0.000 0.320 176 C C -1.720 173.243 174.990 -0.045 0.000 1.226 176 C CA -1.642 57.375 59.018 -0.001 0.000 1.569 176 C CB 1.595 29.402 27.740 0.112 0.000 2.200 176 C HN 0.314 nan 8.230 nan 0.000 0.491 177 P HA 0.168 nan 4.420 nan 0.000 0.267 177 P C -0.061 177.155 177.300 -0.139 0.000 1.289 177 P CA 0.323 63.364 63.100 -0.098 0.000 0.866 177 P CB 0.173 31.833 31.700 -0.067 0.000 1.309 178 L N 0.935 122.058 121.223 -0.167 0.000 2.399 178 L HA 0.447 4.788 4.340 0.000 0.000 0.266 178 L C 0.737 177.265 176.870 -0.570 0.000 1.114 178 L CA -0.898 53.736 54.840 -0.344 0.000 0.804 178 L CB 1.220 43.023 42.059 -0.427 0.000 1.146 178 L HN -0.106 nan 8.230 nan 0.000 0.451 179 I N 0.410 120.584 120.570 -0.660 0.000 2.545 179 I HA 0.503 4.673 4.170 0.000 0.000 0.292 179 I C -1.593 174.005 176.117 -0.865 0.000 1.040 179 I CA -0.348 60.570 61.300 -0.635 0.000 1.068 179 I CB 1.831 39.635 38.000 -0.327 0.000 1.251 179 I HN 0.284 nan 8.210 nan 0.000 0.424 180 F N 7.002 126.771 119.950 -0.301 0.000 2.529 180 F HA 0.663 5.190 4.527 0.000 0.000 0.320 180 F C -0.216 175.417 175.800 -0.280 0.000 1.118 180 F CA -0.476 57.336 58.000 -0.314 0.000 0.915 180 F CB 2.158 40.976 39.000 -0.304 0.000 1.161 180 F HN 0.320 nan 8.300 nan 0.000 0.445 181 M N 2.868 122.440 119.600 -0.047 0.000 2.572 181 M HA 0.347 4.828 4.480 0.000 0.000 0.299 181 M C -0.343 175.975 176.300 0.029 0.000 1.205 181 M CA -0.833 54.426 55.300 -0.068 0.000 0.876 181 M CB 2.288 34.798 32.600 -0.150 0.000 1.728 181 M HN 0.712 nan 8.290 nan 0.000 0.458 182 N N 0.320 118.993 118.700 -0.045 0.000 2.452 182 N HA 0.120 4.860 4.740 0.000 0.000 0.296 182 N C 0.676 176.209 175.510 0.039 0.000 1.304 182 N CA 0.248 53.265 53.050 -0.056 0.000 0.956 182 N CB -0.243 38.142 38.487 -0.171 0.000 1.106 182 N HN 0.805 nan 8.380 nan 0.000 0.555 183 H N -2.891 116.259 119.070 0.135 0.000 2.495 183 H HA 0.114 4.670 4.556 0.000 0.000 0.287 183 H C 1.511 177.019 175.328 0.300 0.000 1.033 183 H CA 1.507 57.695 56.048 0.234 0.000 1.307 183 H CB -0.414 29.424 29.762 0.126 0.000 1.401 183 H HN 0.518 nan 8.280 nan 0.000 0.555 184 S N -1.008 114.532 115.700 -0.268 0.000 2.548 184 S HA 0.287 4.757 4.470 0.000 0.000 0.215 184 S C 1.822 176.202 174.600 -0.367 0.000 0.976 184 S CA 0.219 58.377 58.200 -0.071 0.000 0.908 184 S CB -0.210 62.885 63.200 -0.176 0.000 0.781 184 S HN 0.920 nan 8.310 nan 0.000 0.519 185 G N 1.207 109.667 108.800 -0.568 0.000 2.195 185 G HA2 -0.260 3.700 3.960 0.000 0.000 0.224 185 G HA3 -0.260 3.700 3.960 0.000 0.000 0.224 185 G C -0.022 174.639 174.900 -0.399 0.000 0.990 185 G CA 0.085 44.709 45.100 -0.794 0.000 0.639 185 G HN 0.736 nan 8.290 nan 0.000 0.514 186 K N 0.934 121.158 120.400 -0.293 0.000 2.412 186 K HA 0.285 4.605 4.320 0.000 0.000 0.281 186 K C 0.459 176.945 176.600 -0.190 0.000 1.027 186 K CA -0.159 56.002 56.287 -0.211 0.000 0.989 186 K CB 0.104 32.497 32.500 -0.177 0.000 0.935 186 K HN 0.263 nan 8.250 nan 0.000 0.475 187 N N 3.654 122.249 118.700 -0.175 0.000 2.513 187 N HA 0.148 4.888 4.740 0.000 0.000 0.268 187 N C -1.289 174.148 175.510 -0.121 0.000 1.180 187 N CA -0.156 52.797 53.050 -0.161 0.000 0.948 187 N CB 0.442 38.824 38.487 -0.176 0.000 1.083 187 N HN 0.412 nan 8.380 nan 0.000 0.455 188 L N 2.449 123.621 121.223 -0.085 0.000 2.333 188 L HA 0.415 4.755 4.340 0.000 0.000 0.280 188 L C 0.548 177.383 176.870 -0.057 0.000 1.004 188 L CA -0.960 53.831 54.840 -0.082 0.000 0.820 188 L CB 1.626 43.631 42.059 -0.089 0.000 1.247 188 L HN 0.634 nan 8.230 nan 0.000 0.416 189 T N -0.439 114.049 114.554 -0.111 0.000 2.788 189 T HA 0.250 4.600 4.350 0.000 0.000 0.287 189 T C -1.942 172.663 174.700 -0.160 0.000 1.007 189 T CA -1.528 60.494 62.100 -0.130 0.000 1.005 189 T CB 0.921 69.659 68.868 -0.216 0.000 1.012 189 T HN 0.288 nan 8.240 nan 0.000 0.530 190 P HA -0.159 nan 4.420 nan 0.000 0.214 190 P C 1.987 179.194 177.300 -0.155 0.000 1.163 190 P CA 1.995 64.995 63.100 -0.166 0.000 0.889 190 P CB -0.528 31.123 31.700 -0.082 0.000 0.790 191 T N -2.888 111.561 114.554 -0.175 0.000 2.778 191 T HA -0.175 4.175 4.350 0.000 0.000 0.269 191 T C 1.072 175.724 174.700 -0.079 0.000 1.050 191 T CA 1.516 63.575 62.100 -0.068 0.000 1.137 191 T CB -1.214 67.642 68.868 -0.020 0.000 0.860 191 T HN 0.073 nan 8.240 nan 0.000 0.468 192 D N 0.891 121.220 120.400 -0.119 0.000 2.358 192 D HA 0.210 4.851 4.640 0.000 0.000 0.241 192 D C 0.086 176.315 176.300 -0.119 0.000 1.094 192 D CA 0.045 53.983 54.000 -0.103 0.000 0.907 192 D CB -0.232 40.504 40.800 -0.106 0.000 0.893 192 D HN 0.330 nan 8.370 nan 0.000 0.528 193 L N 1.772 122.912 121.223 -0.138 0.000 2.379 193 L HA 0.304 4.644 4.340 0.000 0.000 0.269 193 L C -2.050 174.777 176.870 -0.072 0.000 1.084 193 L CA -2.074 52.675 54.840 -0.152 0.000 0.802 193 L CB 0.858 42.780 42.059 -0.228 0.000 1.175 193 L HN -0.194 nan 8.230 nan 0.000 0.448 194 P HA 0.050 nan 4.420 nan 0.000 0.276 194 P C -1.012 176.282 177.300 -0.010 0.000 1.253 194 P CA -0.606 62.481 63.100 -0.022 0.000 0.766 194 P CB 0.326 32.018 31.700 -0.014 0.000 0.845 195 K N 3.023 123.421 120.400 -0.003 0.000 2.587 195 K HA -0.107 4.213 4.320 0.000 0.000 0.252 195 K C 0.383 176.984 176.600 0.001 0.000 1.092 195 K CA 1.131 57.421 56.287 0.004 0.000 1.135 195 K CB -1.785 30.716 32.500 0.002 0.000 0.921 195 K HN 0.703 nan 8.250 nan 0.000 0.504 196 A N 2.828 125.650 122.820 0.004 0.000 3.569 196 A HA -0.256 4.064 4.320 0.000 0.000 0.128 196 A C 1.249 178.822 177.584 -0.018 0.000 1.297 196 A CA 0.455 52.487 52.037 -0.009 0.000 1.174 196 A CB -1.066 17.925 19.000 -0.015 0.000 0.814 196 A HN 0.563 nan 8.150 nan 0.000 0.392 197 Q N 0.816 120.598 119.800 -0.029 0.000 2.152 197 Q HA -0.095 4.246 4.340 0.000 0.000 0.206 197 Q C 1.935 177.959 176.000 0.040 0.000 0.985 197 Q CA 2.164 57.948 55.803 -0.030 0.000 0.863 197 Q CB -0.373 28.320 28.738 -0.076 0.000 0.904 197 Q HN 0.739 nan 8.270 nan 0.000 0.422 198 R N 0.719 121.240 120.500 0.035 0.000 2.083 198 R HA -0.177 4.163 4.340 0.000 0.000 0.237 198 R C 1.231 177.577 176.300 0.077 0.000 1.137 198 R CA 1.847 57.977 56.100 0.051 0.000 0.951 198 R CB -0.118 30.198 30.300 0.027 0.000 0.851 198 R HN 0.339 nan 8.270 nan 0.000 0.434 199 D N -0.758 119.675 120.400 0.055 0.000 2.162 199 D HA -0.071 4.569 4.640 0.000 0.000 0.203 199 D C 1.711 178.045 176.300 0.057 0.000 0.967 199 D CA 1.622 55.657 54.000 0.058 0.000 0.840 199 D CB -0.064 40.759 40.800 0.038 0.000 0.972 199 D HN 0.329 nan 8.370 nan 0.000 0.482 200 T N 1.905 116.480 114.554 0.036 0.000 2.708 200 T HA -0.143 4.207 4.350 0.000 0.000 0.266 200 T C 2.009 176.746 174.700 0.061 0.000 1.037 200 T CA 0.527 62.645 62.100 0.029 0.000 1.146 200 T CB -0.334 68.529 68.868 -0.009 0.000 0.865 200 T HN 0.033 nan 8.240 nan 0.000 0.435 201 L N 1.014 122.292 121.223 0.092 0.000 2.083 201 L HA 0.074 4.414 4.340 0.000 0.000 0.209 201 L C 2.081 179.048 176.870 0.162 0.000 1.083 201 L CA 1.537 56.468 54.840 0.153 0.000 0.752 201 L CB -0.813 41.393 42.059 0.244 0.000 0.899 201 L HN 0.243 nan 8.230 nan 0.000 0.433 202 L N -0.914 120.416 121.223 0.178 0.000 2.072 202 L HA -0.156 4.185 4.340 0.000 0.000 0.205 202 L C 2.480 179.460 176.870 0.184 0.000 1.079 202 L CA 1.222 56.203 54.840 0.236 0.000 0.752 202 L CB -0.658 41.556 42.059 0.259 0.000 0.906 202 L HN 0.283 nan 8.230 nan 0.000 0.436 203 E N 0.670 120.944 120.200 0.122 0.000 2.068 203 E HA -0.295 4.056 4.350 0.000 0.000 0.207 203 E C 2.182 178.826 176.600 0.073 0.000 1.032 203 E CA 2.015 58.465 56.400 0.085 0.000 0.839 203 E CB -0.190 29.544 29.700 0.056 0.000 0.758 203 E HN 0.393 nan 8.360 nan 0.000 0.457 204 I N 0.277 120.885 120.570 0.064 0.000 2.179 204 I HA -0.339 3.831 4.170 0.000 0.000 0.242 204 I C 2.439 178.572 176.117 0.026 0.000 1.088 204 I CA 0.923 62.250 61.300 0.045 0.000 1.357 204 I CB -0.230 37.797 38.000 0.045 0.000 1.051 204 I HN 0.343 nan 8.210 nan 0.000 0.409 205 C N 0.290 119.593 119.300 0.006 0.000 2.422 205 C HA -0.151 4.309 4.460 0.000 0.000 0.279 205 C C 2.341 177.260 174.990 -0.119 0.000 1.305 205 C CA 0.280 59.217 59.018 -0.135 0.000 1.757 205 C CB -1.234 26.290 27.740 -0.360 0.000 1.962 205 C HN 0.498 nan 8.230 nan 0.000 0.499 206 D N 0.688 121.134 120.400 0.077 0.000 2.133 206 D HA -0.161 4.479 4.640 0.000 0.000 0.195 206 D C 2.201 178.568 176.300 0.112 0.000 0.997 206 D CA 1.493 55.612 54.000 0.199 0.000 0.840 206 D CB -0.423 40.487 40.800 0.183 0.000 0.947 206 D HN 0.681 nan 8.370 nan 0.000 0.452 207 E N 0.151 120.392 120.200 0.068 0.000 2.028 207 E HA -0.172 4.178 4.350 0.000 0.000 0.191 207 E C 2.027 178.653 176.600 0.043 0.000 0.988 207 E CA 1.066 57.496 56.400 0.050 0.000 0.799 207 E CB -0.091 29.631 29.700 0.036 0.000 0.755 207 E HN 0.179 nan 8.360 nan 0.000 0.447 208 A N 1.404 124.241 122.820 0.029 0.000 1.917 208 A HA -0.204 4.116 4.320 0.000 0.000 0.219 208 A C 2.206 179.821 177.584 0.051 0.000 1.182 208 A CA 1.550 53.598 52.037 0.018 0.000 0.633 208 A CB -0.798 18.205 19.000 0.005 0.000 0.819 208 A HN 0.419 nan 8.150 nan 0.000 0.448 209 L N -0.338 120.942 121.223 0.094 0.000 2.079 209 L HA -0.193 4.147 4.340 0.000 0.000 0.210 209 L C 2.480 179.440 176.870 0.150 0.000 1.081 209 L CA 2.264 57.213 54.840 0.181 0.000 0.752 209 L CB -0.675 41.547 42.059 0.272 0.000 0.896 209 L HN 0.481 nan 8.230 nan 0.000 0.433 210 C N -0.312 119.054 119.300 0.110 0.000 2.432 210 C HA -0.179 4.282 4.460 0.000 0.000 0.277 210 C C 2.701 177.730 174.990 0.063 0.000 1.249 210 C CA 1.041 60.109 59.018 0.083 0.000 1.725 210 C CB -1.096 26.684 27.740 0.066 0.000 2.028 210 C HN 0.636 nan 8.230 nan 0.000 0.477 211 Q N 1.246 121.072 119.800 0.043 0.000 2.112 211 Q HA -0.191 4.149 4.340 0.000 0.000 0.206 211 Q C 2.390 178.406 176.000 0.027 0.000 0.987 211 Q CA 1.944 57.761 55.803 0.023 0.000 0.858 211 Q CB -0.513 28.224 28.738 -0.002 0.000 0.905 211 Q HN 0.759 nan 8.270 nan 0.000 0.420 212 A N 0.802 123.637 122.820 0.025 0.000 1.968 212 A HA -0.048 4.272 4.320 0.000 0.000 0.217 212 A C 2.398 180.063 177.584 0.136 0.000 1.169 212 A CA 0.870 52.934 52.037 0.045 0.000 0.638 212 A CB -0.421 18.562 19.000 -0.028 0.000 0.812 212 A HN 0.190 nan 8.150 nan 0.000 0.446 213 V N -0.148 119.844 119.914 0.130 0.000 2.343 213 V HA -0.256 3.865 4.120 0.000 0.000 0.247 213 V C 2.590 178.738 176.094 0.088 0.000 1.051 213 V CA 2.295 64.672 62.300 0.129 0.000 1.036 213 V CB -0.820 31.073 31.823 0.117 0.000 0.654 213 V HN 0.525 nan 8.190 nan 0.000 0.451 214 R N -0.141 120.400 120.500 0.069 0.000 2.080 214 R HA -0.141 4.199 4.340 0.000 0.000 0.236 214 R C 2.261 178.589 176.300 0.046 0.000 1.137 214 R CA 1.746 57.875 56.100 0.048 0.000 0.943 214 R CB -0.733 29.590 30.300 0.038 0.000 0.846 214 R HN 0.388 nan 8.270 nan 0.000 0.431 215 V N 1.154 121.100 119.914 0.054 0.000 2.324 215 V HA -0.288 3.832 4.120 0.000 0.000 0.250 215 V C 2.188 178.310 176.094 0.047 0.000 1.060 215 V CA 1.875 64.208 62.300 0.055 0.000 1.042 215 V CB -0.476 31.396 31.823 0.082 0.000 0.650 215 V HN 0.330 nan 8.190 nan 0.000 0.450 216 L N -0.199 121.063 121.223 0.066 0.000 2.131 216 L HA 0.206 4.546 4.340 0.000 0.000 0.206 216 L C 1.682 178.558 176.870 0.009 0.000 1.087 216 L CA 1.150 56.000 54.840 0.017 0.000 0.767 216 L CB -0.518 41.569 42.059 0.047 0.000 0.917 216 L HN 0.580 nan 8.230 nan 0.000 0.441 217 G N 0.699 109.517 108.800 0.031 0.000 2.226 217 G HA2 -0.170 3.790 3.960 0.000 0.000 0.176 217 G HA3 -0.170 3.790 3.960 0.000 0.000 0.176 217 G C -0.012 174.901 174.900 0.021 0.000 1.042 217 G CA -0.096 45.016 45.100 0.020 0.000 0.732 217 G HN 0.168 nan 8.290 nan 0.000 0.494 218 V N -2.371 117.565 119.914 0.036 0.000 2.567 218 V HA 0.744 4.865 4.120 0.000 0.000 0.289 218 V C 1.394 177.498 176.094 0.016 0.000 1.049 218 V CA -0.766 61.552 62.300 0.029 0.000 0.969 218 V CB 1.671 33.525 31.823 0.053 0.000 0.995 218 V HN 0.004 nan 8.190 nan 0.000 0.471 219 K N 2.107 122.505 120.400 -0.003 0.000 2.155 219 K HA 0.267 4.587 4.320 0.000 0.000 0.203 219 K C 0.086 176.678 176.600 -0.014 0.000 1.052 219 K CA 0.966 57.246 56.287 -0.012 0.000 0.948 219 K CB -0.362 32.121 32.500 -0.027 0.000 0.728 219 K HN 0.738 nan 8.250 nan 0.000 0.448 220 L N -0.662 120.547 121.223 -0.023 0.000 2.445 220 L HA 0.424 4.764 4.340 0.000 0.000 0.262 220 L C -1.633 175.207 176.870 -0.050 0.000 0.974 220 L CA -0.769 54.048 54.840 -0.039 0.000 0.822 220 L CB 2.478 44.497 42.059 -0.066 0.000 1.339 220 L HN -0.263 nan 8.230 nan 0.000 0.409 221 V N 5.640 125.532 119.914 -0.036 0.000 2.531 221 V HA 0.538 4.658 4.120 0.000 0.000 0.301 221 V C -0.444 175.628 176.094 -0.036 0.000 1.034 221 V CA -0.325 61.963 62.300 -0.021 0.000 0.865 221 V CB 1.870 33.721 31.823 0.046 0.000 0.995 221 V HN 0.621 nan 8.190 nan 0.000 0.424 222 I N 4.141 124.668 120.570 -0.073 0.000 2.405 222 I HA 0.438 4.608 4.170 0.000 0.000 0.280 222 I C 0.991 177.187 176.117 0.133 0.000 1.027 222 I CA -0.372 60.920 61.300 -0.013 0.000 1.161 222 I CB 1.565 39.473 38.000 -0.154 0.000 1.300 222 I HN 0.731 nan 8.210 nan 0.000 0.463 223 G N 5.507 114.394 108.800 0.147 0.000 2.365 223 G HA2 0.318 4.278 3.960 0.000 0.000 0.249 223 G HA3 0.318 4.278 3.960 0.000 0.000 0.249 223 G C -0.120 174.943 174.900 0.272 0.000 1.288 223 G CA -0.212 45.011 45.100 0.204 0.000 0.887 223 G HN 0.376 nan 8.290 nan 0.000 0.524 224 V N 2.948 123.071 119.914 0.348 0.000 2.339 224 V HA 0.674 4.795 4.120 0.000 0.000 0.261 224 V C 0.902 177.265 176.094 0.450 0.000 1.058 224 V CA 0.790 63.311 62.300 0.368 0.000 0.897 224 V CB -0.273 31.758 31.823 0.347 0.000 1.052 224 V HN 1.601 nan 8.190 nan 0.000 0.480 225 G N 5.105 114.145 108.800 0.399 0.000 2.697 225 G HA2 -0.106 3.854 3.960 0.000 0.000 0.686 225 G HA3 -0.106 3.854 3.960 0.000 0.000 0.686 225 G C 0.228 175.280 174.900 0.254 0.000 1.179 225 G CA -0.664 44.661 45.100 0.375 0.000 0.765 225 G HN 0.433 nan 8.290 nan 0.000 0.649 226 R N 0.721 121.338 120.500 0.194 0.000 2.080 226 R HA -0.082 4.258 4.340 0.000 0.000 0.236 226 R C 2.371 178.765 176.300 0.158 0.000 1.137 226 R CA 2.294 58.480 56.100 0.143 0.000 0.943 226 R CB -1.055 29.311 30.300 0.110 0.000 0.846 226 R HN 0.746 nan 8.270 nan 0.000 0.431 227 F N 2.057 122.023 119.950 0.026 0.000 2.115 227 F HA -0.263 4.264 4.527 0.000 0.000 0.300 227 F C 2.187 177.979 175.800 -0.014 0.000 1.092 227 F CA 1.891 59.890 58.000 -0.002 0.000 1.245 227 F CB -0.235 38.757 39.000 -0.013 0.000 0.995 227 F HN -0.062 nan 8.300 nan 0.000 0.481 228 S N -0.402 115.491 115.700 0.321 0.000 2.406 228 S HA -0.191 4.279 4.470 0.000 0.000 0.228 228 S C 1.914 176.498 174.600 -0.027 0.000 1.020 228 S CA 1.095 59.370 58.200 0.126 0.000 0.965 228 S CB -0.429 62.943 63.200 0.286 0.000 0.798 228 S HN 0.680 nan 8.310 nan 0.000 0.488 229 E N 1.474 121.687 120.200 0.021 0.000 2.028 229 E HA -0.189 4.161 4.350 0.000 0.000 0.190 229 E C 1.977 178.531 176.600 -0.077 0.000 0.984 229 E CA 0.908 57.311 56.400 0.006 0.000 0.800 229 E CB -0.206 29.522 29.700 0.047 0.000 0.758 229 E HN 0.473 nan 8.360 nan 0.000 0.448 230 Q N 0.333 120.062 119.800 -0.117 0.000 2.014 230 Q HA -0.221 4.119 4.340 0.000 0.000 0.207 230 Q C 2.347 178.198 176.000 -0.249 0.000 0.993 230 Q CA 2.280 57.987 55.803 -0.160 0.000 0.850 230 Q CB -0.215 28.422 28.738 -0.168 0.000 0.916 230 Q HN 0.059 nan 8.270 nan 0.000 0.417 231 R N 0.136 120.352 120.500 -0.474 0.000 2.170 231 R HA -0.164 4.176 4.340 0.000 0.000 0.242 231 R C 1.752 177.890 176.300 -0.269 0.000 1.145 231 R CA 1.508 57.308 56.100 -0.500 0.000 0.984 231 R CB -0.410 29.347 30.300 -0.905 0.000 0.869 231 R HN 0.338 nan 8.270 nan 0.000 0.455 232 A N -0.227 122.484 122.820 -0.181 0.000 1.878 232 A HA -0.032 4.288 4.320 0.000 0.000 0.213 232 A C 2.070 179.642 177.584 -0.020 0.000 1.192 232 A CA 0.995 53.001 52.037 -0.051 0.000 0.619 232 A CB -0.530 18.484 19.000 0.023 0.000 0.837 232 A HN 0.360 nan 8.150 nan 0.000 0.446 233 R N 0.365 120.846 120.500 -0.033 0.000 2.190 233 R HA -0.304 4.036 4.340 0.000 0.000 0.255 233 R C 2.209 178.496 176.300 -0.022 0.000 1.143 233 R CA 2.573 58.659 56.100 -0.024 0.000 0.965 233 R CB -0.268 30.012 30.300 -0.034 0.000 0.889 233 R HN 0.658 nan 8.270 nan 0.000 0.448 234 K N -1.208 119.167 120.400 -0.041 0.000 2.202 234 K HA 0.082 4.403 4.320 0.000 0.000 0.201 234 K C 2.004 178.599 176.600 -0.009 0.000 1.051 234 K CA 0.856 57.124 56.287 -0.032 0.000 0.977 234 K CB -0.101 32.367 32.500 -0.054 0.000 0.792 234 K HN 0.173 nan 8.250 nan 0.000 0.469 235 A N 2.324 125.145 122.820 0.000 0.000 1.859 235 A HA -0.126 4.194 4.320 0.000 0.000 0.217 235 A C 2.224 179.834 177.584 0.042 0.000 1.198 235 A CA 1.704 53.766 52.037 0.042 0.000 0.629 235 A CB -0.835 18.218 19.000 0.088 0.000 0.830 235 A HN 0.321 nan 8.150 nan 0.000 0.446 236 L N -0.834 120.412 121.223 0.039 0.000 2.044 236 L HA -0.177 4.163 4.340 0.000 0.000 0.205 236 L C 2.959 179.844 176.870 0.025 0.000 1.075 236 L CA 1.767 56.630 54.840 0.038 0.000 0.747 236 L CB -0.792 41.291 42.059 0.040 0.000 0.903 236 L HN 0.715 nan 8.230 nan 0.000 0.435 237 M N 0.332 119.942 119.600 0.016 0.000 2.149 237 M HA -0.109 4.372 4.480 0.000 0.000 0.261 237 M C 2.020 178.328 176.300 0.013 0.000 1.064 237 M CA 2.095 57.402 55.300 0.011 0.000 1.102 237 M CB -0.688 31.915 32.600 0.005 0.000 1.369 237 M HN 0.072 nan 8.290 nan 0.000 0.408 238 A N 0.221 123.050 122.820 0.015 0.000 2.264 238 A HA -0.016 4.304 4.320 0.000 0.000 0.207 238 A C 1.092 178.688 177.584 0.020 0.000 1.196 238 A CA 1.016 53.063 52.037 0.016 0.000 0.778 238 A CB -0.631 18.380 19.000 0.018 0.000 0.779 238 A HN 0.767 nan 8.150 nan 0.000 0.483 239 E N -1.020 119.192 120.200 0.021 0.000 3.293 239 E HA 0.181 4.531 4.350 0.000 0.000 0.174 239 E C 0.389 177.001 176.600 0.020 0.000 0.958 239 E CA -0.020 56.393 56.400 0.022 0.000 1.352 239 E CB 0.293 30.010 29.700 0.028 0.000 1.066 239 E HN 0.529 nan 8.360 nan 0.000 0.448 240 G N 2.291 111.101 108.800 0.016 0.000 2.046 240 G HA2 -0.264 3.696 3.960 0.000 0.000 0.245 240 G HA3 -0.264 3.696 3.960 0.000 0.000 0.245 240 G C 0.087 174.997 174.900 0.016 0.000 0.738 240 G CA 0.663 45.771 45.100 0.014 0.000 1.089 240 G HN 0.249 nan 8.290 nan 0.000 0.355 241 I N 0.686 121.268 120.570 0.020 0.000 2.396 241 I HA 0.190 4.360 4.170 0.000 0.000 0.292 241 I C 0.116 176.244 176.117 0.018 0.000 0.999 241 I CA -0.495 60.818 61.300 0.022 0.000 1.310 241 I CB 1.528 39.546 38.000 0.031 0.000 1.404 241 I HN 0.086 nan 8.210 nan 0.000 0.496 242 D N 6.371 126.780 120.400 0.015 0.000 2.524 242 D HA 0.355 4.995 4.640 0.000 0.000 0.222 242 D C -1.270 175.035 176.300 0.010 0.000 1.142 242 D CA 0.129 54.135 54.000 0.010 0.000 0.973 242 D CB 0.319 41.123 40.800 0.006 0.000 1.025 242 D HN 0.072 nan 8.370 nan 0.000 0.519 243 V N 1.653 121.575 119.914 0.012 0.000 2.711 243 V HA 0.310 4.430 4.120 0.000 0.000 0.304 243 V C 0.530 176.629 176.094 0.008 0.000 1.097 243 V CA -1.091 61.216 62.300 0.011 0.000 0.906 243 V CB 1.771 33.607 31.823 0.022 0.000 1.015 243 V HN 0.227 nan 8.190 nan 0.000 0.427 244 T N 3.198 117.753 114.554 0.001 0.000 2.946 244 T HA 0.348 4.698 4.350 0.000 0.000 0.311 244 T C -0.015 174.684 174.700 -0.001 0.000 1.063 244 T CA -0.039 62.060 62.100 -0.003 0.000 1.139 244 T CB 1.026 69.888 68.868 -0.010 0.000 0.994 244 T HN 0.511 nan 8.240 nan 0.000 0.547 245 V N 4.631 124.545 119.914 0.001 0.000 2.380 245 V HA 0.316 4.436 4.120 0.000 0.000 0.286 245 V C 0.304 176.400 176.094 0.003 0.000 1.015 245 V CA -0.807 61.496 62.300 0.005 0.000 0.834 245 V CB 1.040 32.868 31.823 0.009 0.000 1.009 245 V HN 0.786 nan 8.190 nan 0.000 0.428 246 K N 2.731 123.131 120.400 0.000 0.000 2.642 246 K HA 0.899 5.219 4.320 0.000 0.000 0.273 246 K C 0.222 176.844 176.600 0.036 0.000 1.029 246 K CA -0.689 55.605 56.287 0.011 0.000 1.071 246 K CB 1.657 34.159 32.500 0.004 0.000 1.451 246 K HN 0.682 nan 8.250 nan 0.000 0.559 247 G N 0.131 108.963 108.800 0.053 0.000 2.684 247 G HA2 0.620 4.580 3.960 0.000 0.000 0.290 247 G HA3 0.620 4.580 3.960 0.000 0.000 0.290 247 G C -1.160 173.810 174.900 0.117 0.000 1.425 247 G CA -0.885 44.273 45.100 0.098 0.000 0.822 247 G HN 0.599 nan 8.290 nan 0.000 0.482 248 I N -2.491 118.185 120.570 0.175 0.000 3.145 248 I HA 0.689 4.859 4.170 0.000 0.000 0.313 248 I C 0.089 176.338 176.117 0.219 0.000 1.122 248 I CA -1.511 59.886 61.300 0.163 0.000 0.987 248 I CB 2.424 40.528 38.000 0.173 0.000 1.236 248 I HN 0.602 nan 8.210 nan 0.000 0.453 249 M N 3.687 123.408 119.600 0.200 0.000 2.269 249 M HA 0.087 4.567 4.480 0.000 0.000 0.350 249 M C 0.164 176.783 176.300 0.532 0.000 1.429 249 M CA 0.155 55.641 55.300 0.311 0.000 1.063 249 M CB 0.094 32.843 32.600 0.249 0.000 1.841 249 M HN 0.643 nan 8.290 nan 0.000 0.455 250 H N 7.417 126.677 119.070 0.316 0.000 3.064 250 H HA 0.038 4.594 4.556 0.000 0.000 0.329 250 H C -1.939 173.417 175.328 0.046 0.000 1.020 250 H CA -0.251 55.938 56.048 0.235 0.000 1.402 250 H CB 0.814 30.666 29.762 0.149 0.000 1.379 250 H HN 0.512 nan 8.280 nan 0.000 0.594 251 P HA -0.022 nan 4.420 nan 0.000 0.257 251 P C 0.380 177.454 177.300 -0.378 0.000 1.281 251 P CA -0.030 62.398 63.100 -1.121 0.000 0.826 251 P CB 0.144 30.699 31.700 -1.909 0.000 1.237 252 S N 2.691 118.484 115.700 0.154 0.000 2.558 252 S HA 0.089 4.559 4.470 0.000 0.000 0.288 252 S C -1.202 173.400 174.600 0.003 0.000 1.318 252 S CA -0.787 57.472 58.200 0.097 0.000 1.056 252 S CB 0.059 63.316 63.200 0.096 0.000 0.853 252 S HN 0.036 nan 8.310 nan 0.000 0.505 253 P HA 0.109 nan 4.420 nan 0.000 0.245 253 P C 0.838 178.136 177.300 -0.003 0.000 1.212 253 P CA 0.016 63.109 63.100 -0.011 0.000 0.774 253 P CB 0.125 31.817 31.700 -0.013 0.000 0.999 254 R N -0.098 120.398 120.500 -0.007 0.000 2.236 254 R HA 0.039 4.379 4.340 0.000 0.000 0.208 254 R C 0.635 176.934 176.300 -0.003 0.000 1.036 254 R CA 0.376 56.468 56.100 -0.013 0.000 1.001 254 R CB -0.768 29.513 30.300 -0.032 0.000 0.896 254 R HN 0.180 nan 8.270 nan 0.000 0.464 255 N N 1.094 119.801 118.700 0.012 0.000 2.527 255 N HA 0.142 4.883 4.740 0.000 0.000 0.236 255 N C -2.111 173.425 175.510 0.043 0.000 0.999 255 N CA -2.312 50.758 53.050 0.032 0.000 0.935 255 N CB 1.561 40.083 38.487 0.059 0.000 1.132 255 N HN -0.205 nan 8.380 nan 0.000 0.511 256 P HA -0.157 nan 4.420 nan 0.000 0.217 256 P C 0.544 177.873 177.300 0.047 0.000 1.148 256 P CA 1.488 64.609 63.100 0.033 0.000 0.834 256 P CB 0.353 32.068 31.700 0.025 0.000 0.783 257 Q N -1.390 118.447 119.800 0.061 0.000 2.369 257 Q HA 0.027 4.367 4.340 0.000 0.000 0.206 257 Q C 2.049 178.111 176.000 0.103 0.000 0.963 257 Q CA 1.238 57.083 55.803 0.070 0.000 0.894 257 Q CB -0.585 28.194 28.738 0.069 0.000 0.965 257 Q HN 0.208 nan 8.270 nan 0.000 0.475 258 A N 1.010 123.905 122.820 0.124 0.000 1.970 258 A HA -0.073 4.247 4.320 0.000 0.000 0.216 258 A C 1.412 179.068 177.584 0.120 0.000 1.170 258 A CA 0.802 52.946 52.037 0.178 0.000 0.645 258 A CB -0.047 19.034 19.000 0.134 0.000 0.816 258 A HN 0.240 nan 8.150 nan 0.000 0.447 259 N N -0.102 118.638 118.700 0.067 0.000 2.515 259 N HA 0.013 4.753 4.740 0.000 0.000 0.191 259 N C 0.998 176.535 175.510 0.045 0.000 1.182 259 N CA 0.655 53.732 53.050 0.044 0.000 0.879 259 N CB 0.155 38.657 38.487 0.024 0.000 0.984 259 N HN 0.571 nan 8.380 nan 0.000 0.453 260 K N -0.886 119.547 120.400 0.056 0.000 2.350 260 K HA 0.229 4.549 4.320 0.000 0.000 0.196 260 K C 0.750 177.373 176.600 0.040 0.000 1.084 260 K CA 0.413 56.724 56.287 0.040 0.000 0.967 260 K CB 0.947 33.467 32.500 0.034 0.000 0.950 260 K HN 0.074 nan 8.250 nan 0.000 0.512 261 G N -0.017 108.820 108.800 0.061 0.000 4.357 261 G HA2 -0.052 3.909 3.960 0.000 0.000 0.234 261 G HA3 -0.052 3.909 3.960 0.000 0.000 0.234 261 G C -0.399 174.538 174.900 0.061 0.000 3.600 261 G CA -0.698 44.428 45.100 0.043 0.000 0.615 261 G HN 0.215 nan 8.290 nan 0.000 0.209 262 W N 1.001 122.266 121.300 -0.058 0.000 2.302 262 W HA -0.230 4.430 4.660 0.000 0.000 0.320 262 W C 1.988 178.439 176.519 -0.113 0.000 1.241 262 W CA 2.471 59.772 57.345 -0.074 0.000 1.264 262 W CB 0.236 29.649 29.460 -0.079 0.000 1.154 262 W HN 0.494 nan 8.180 nan 0.000 0.483 263 E N -0.707 119.473 120.200 -0.033 0.000 2.077 263 E HA -0.139 4.211 4.350 0.000 0.000 0.193 263 E C 2.423 178.813 176.600 -0.350 0.000 0.989 263 E CA 1.887 58.095 56.400 -0.320 0.000 0.800 263 E CB -0.926 28.693 29.700 -0.135 0.000 0.746 263 E HN 0.308 nan 8.360 nan 0.000 0.452 264 G N 1.422 110.102 108.800 -0.200 0.000 2.514 264 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 264 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 264 G C 1.601 176.376 174.900 -0.208 0.000 1.198 264 G CA 1.304 46.303 45.100 -0.168 0.000 0.780 264 G HN 0.296 nan 8.290 nan 0.000 0.565 265 I N 0.316 120.756 120.570 -0.217 0.000 2.099 265 I HA -0.205 3.966 4.170 0.000 0.000 0.239 265 I C 2.855 178.780 176.117 -0.320 0.000 1.066 265 I CA 0.961 62.131 61.300 -0.216 0.000 1.324 265 I CB -0.512 37.381 38.000 -0.180 0.000 1.037 265 I HN 0.057 nan 8.210 nan 0.000 0.401 266 V N 0.527 120.102 119.914 -0.564 0.000 2.295 266 V HA -0.278 3.843 4.120 0.000 0.000 0.246 266 V C 2.542 178.397 176.094 -0.398 0.000 1.049 266 V CA 1.792 63.737 62.300 -0.592 0.000 1.024 266 V CB -0.851 30.299 31.823 -1.122 0.000 0.648 266 V HN 0.339 nan 8.190 nan 0.000 0.447 267 R N 0.262 120.529 120.500 -0.388 0.000 2.133 267 R HA -0.195 4.145 4.340 0.000 0.000 0.247 267 R C 2.390 178.595 176.300 -0.159 0.000 1.151 267 R CA 1.759 57.709 56.100 -0.250 0.000 0.971 267 R CB -0.857 29.316 30.300 -0.213 0.000 0.866 267 R HN 0.631 nan 8.270 nan 0.000 0.447 268 G N -0.098 108.609 108.800 -0.155 0.000 2.404 268 G HA2 -0.277 3.683 3.960 0.000 0.000 0.215 268 G HA3 -0.277 3.683 3.960 0.000 0.000 0.215 268 G C 1.113 175.964 174.900 -0.082 0.000 1.174 268 G CA 0.435 45.472 45.100 -0.105 0.000 0.780 268 G HN 0.359 nan 8.290 nan 0.000 0.537 269 Q N -0.216 119.525 119.800 -0.098 0.000 2.135 269 Q HA -0.016 4.324 4.340 0.000 0.000 0.204 269 Q C 2.547 178.525 176.000 -0.037 0.000 0.981 269 Q CA 0.954 56.720 55.803 -0.063 0.000 0.856 269 Q CB -0.239 28.457 28.738 -0.069 0.000 0.902 269 Q HN 0.452 nan 8.270 nan 0.000 0.425 270 L N -0.094 121.102 121.223 -0.046 0.000 2.313 270 L HA -0.106 4.234 4.340 0.000 0.000 0.214 270 L C 2.134 179.009 176.870 0.008 0.000 1.119 270 L CA 0.021 54.870 54.840 0.014 0.000 0.809 270 L CB -0.200 41.893 42.059 0.058 0.000 0.933 270 L HN 0.220 nan 8.230 nan 0.000 0.449 271 L N -0.281 120.932 121.223 -0.018 0.000 2.023 271 L HA -0.123 4.218 4.340 0.000 0.000 0.205 271 L C 2.505 179.368 176.870 -0.011 0.000 1.073 271 L CA 1.783 56.614 54.840 -0.014 0.000 0.745 271 L CB -0.570 41.472 42.059 -0.028 0.000 0.900 271 L HN 0.129 nan 8.230 nan 0.000 0.435 272 E N -0.079 120.112 120.200 -0.016 0.000 2.171 272 E HA -0.217 4.134 4.350 0.000 0.000 0.197 272 E C 2.173 178.769 176.600 -0.007 0.000 0.997 272 E CA 1.570 57.963 56.400 -0.012 0.000 0.810 272 E CB -0.276 29.415 29.700 -0.013 0.000 0.738 272 E HN 0.553 nan 8.360 nan 0.000 0.467 273 L N -0.686 120.536 121.223 -0.003 0.000 2.492 273 L HA 0.049 4.389 4.340 0.000 0.000 0.223 273 L C 1.542 178.410 176.870 -0.003 0.000 1.132 273 L CA 0.539 55.378 54.840 -0.003 0.000 0.850 273 L CB -0.105 41.953 42.059 -0.001 0.000 0.966 273 L HN 0.239 nan 8.230 nan 0.000 0.454 274 G N 0.092 108.893 108.800 0.001 0.000 2.159 274 G HA2 -0.296 3.664 3.960 0.000 0.000 0.256 274 G HA3 -0.296 3.664 3.960 0.000 0.000 0.256 274 G C 0.843 175.748 174.900 0.008 0.000 0.977 274 G CA 0.525 45.626 45.100 0.001 0.000 0.652 274 G HN 0.302 nan 8.290 nan 0.000 0.531 275 V N -1.355 118.572 119.914 0.022 0.000 3.541 275 V HA 0.426 4.546 4.120 0.000 0.000 0.267 275 V C 2.322 178.460 176.094 0.073 0.000 1.213 275 V CA 1.339 63.665 62.300 0.043 0.000 1.149 275 V CB -0.212 31.640 31.823 0.048 0.000 0.822 275 V HN 0.351 nan 8.190 nan 0.000 0.462 276 L N 1.765 123.023 121.223 0.059 0.000 2.353 276 L HA -0.082 4.258 4.340 0.000 0.000 0.220 276 L C 2.807 179.719 176.870 0.070 0.000 1.133 276 L CA 1.597 56.478 54.840 0.069 0.000 0.798 276 L CB -0.401 41.682 42.059 0.040 0.000 0.922 276 L HN 0.678 nan 8.230 nan 0.000 0.445 277 S N -0.470 115.264 115.700 0.057 0.000 2.377 277 S HA -0.089 4.382 4.470 0.000 0.000 0.223 277 S C 1.899 176.551 174.600 0.086 0.000 1.030 277 S CA 0.214 58.449 58.200 0.058 0.000 0.970 277 S CB -0.516 62.707 63.200 0.039 0.000 0.830 277 S HN 0.293 nan 8.310 nan 0.000 0.473 278 L N 0.632 121.911 121.223 0.094 0.000 2.011 278 L HA -0.155 4.185 4.340 0.000 0.000 0.225 278 L C 0.625 177.585 176.870 0.150 0.000 1.084 278 L CA 1.351 56.284 54.840 0.154 0.000 0.791 278 L CB -0.874 41.254 42.059 0.114 0.000 0.898 278 L HN 0.324 nan 8.230 nan 0.000 0.440 279 L N -1.911 119.391 121.223 0.132 0.000 2.360 279 L HA 0.340 4.680 4.340 0.000 0.000 0.271 279 L C 0.320 177.271 176.870 0.135 0.000 1.057 279 L CA -0.273 54.657 54.840 0.151 0.000 0.803 279 L CB 1.232 43.435 42.059 0.239 0.000 1.207 279 L HN -0.197 nan 8.230 nan 0.000 0.445 280 T N 0.000 114.631 114.554 0.129 0.000 3.816 280 T HA 0.000 4.350 4.350 0.000 0.000 0.228 280 T CA 0.000 62.157 62.100 0.096 0.000 1.349 280 T CB 0.000 68.921 68.868 0.089 0.000 0.612 280 T HN 0.000 nan 8.240 nan 0.000 0.658