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 6cp4_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LNTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENACPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.497 175.510 -0.022 0.000 1.280 10 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 10 N CB 0.000 38.481 38.487 -0.011 0.000 1.341 11 L N 1.775 122.984 121.223 -0.024 0.000 2.334 11 L HA 0.295 nan 4.340 nan 0.000 0.277 11 L C -0.926 175.944 176.870 -0.000 0.000 1.075 11 L CA -1.068 53.758 54.840 -0.023 0.000 0.804 11 L CB 1.338 43.378 42.059 -0.031 0.000 1.174 11 L HN 0.137 8.352 8.230 -0.024 0.000 0.438 12 A N 5.306 128.136 122.820 0.017 0.000 2.322 12 A HA 0.312 nan 4.320 nan 0.000 0.269 12 A C -2.321 175.296 177.584 0.055 0.000 1.094 12 A CA -1.605 50.457 52.037 0.042 0.000 0.807 12 A CB -0.420 18.620 19.000 0.067 0.000 1.047 12 A HN 0.318 8.361 8.150 0.008 0.112 0.487 13 P HA -0.109 nan 4.420 nan 0.000 0.264 13 P C -1.103 176.207 177.300 0.016 0.000 1.193 13 P CA -0.170 62.941 63.100 0.020 0.000 0.763 13 P CB 0.558 32.265 31.700 0.011 0.000 0.810 14 L N 5.194 126.397 121.223 -0.034 0.000 2.477 14 L HA 0.167 nan 4.340 nan 0.000 0.272 14 L C -1.458 175.273 176.870 -0.231 0.000 1.157 14 L CA -1.689 53.064 54.840 -0.145 0.000 0.889 14 L CB -0.387 41.569 42.059 -0.172 0.000 1.158 14 L HN -0.004 8.206 8.230 -0.033 0.000 0.473 15 P HA 0.301 nan 4.420 nan 0.000 0.271 15 P C -1.382 175.701 177.300 -0.363 0.000 1.216 15 P CA -1.200 61.701 63.100 -0.332 0.000 0.771 15 P CB 0.224 31.651 31.700 -0.455 0.000 0.864 16 P HA -0.243 nan 4.420 nan 0.000 0.218 16 P C -0.126 177.116 177.300 -0.097 0.000 1.152 16 P CA 1.944 64.989 63.100 -0.092 0.000 0.857 16 P CB -0.290 31.406 31.700 -0.006 0.000 0.787 17 H N -6.485 112.508 119.070 -0.127 0.000 2.546 17 H HA -0.056 nan 4.556 nan 0.000 0.277 17 H C -0.210 175.059 175.328 -0.098 0.000 1.004 17 H CA 0.557 56.557 56.048 -0.080 0.000 1.231 17 H CB 0.005 29.752 29.762 -0.026 0.000 1.382 17 H HN -0.239 8.095 8.280 0.122 0.019 0.580 18 V N 4.398 123.892 119.914 -0.699 0.000 2.368 18 V HA 0.122 nan 4.120 nan 0.000 0.266 18 V C -1.642 174.243 176.094 -0.349 0.000 1.045 18 V CA -2.475 59.446 62.300 -0.631 0.000 0.899 18 V CB -0.407 30.654 31.823 -1.270 0.000 1.006 18 V HN -0.307 7.243 8.190 -0.788 0.167 0.470 19 P HA 0.155 nan 4.420 nan 0.000 0.271 19 P C 0.894 178.062 177.300 -0.219 0.000 1.216 19 P CA -0.648 62.347 63.100 -0.175 0.000 0.776 19 P CB 0.908 32.494 31.700 -0.191 0.000 0.881 20 E N 3.082 123.218 120.200 -0.107 0.000 2.209 20 E HA -0.370 nan 4.350 nan 0.000 0.196 20 E C 1.850 178.441 176.600 -0.016 0.000 0.993 20 E CA 3.439 59.802 56.400 -0.062 0.000 0.819 20 E CB -0.418 29.274 29.700 -0.013 0.000 0.745 20 E HN 0.720 9.046 8.360 -0.056 0.000 0.477 21 H N -2.781 116.304 119.070 0.025 0.000 2.559 21 H HA -0.039 nan 4.556 nan 0.000 0.273 21 H C 0.323 175.699 175.328 0.081 0.000 1.000 21 H CA 1.393 57.469 56.048 0.047 0.000 1.195 21 H CB -0.701 29.082 29.762 0.036 0.000 1.368 21 H HN 0.244 8.516 8.280 0.030 0.027 0.592 22 L N -1.659 119.413 121.223 -0.251 0.000 2.640 22 L HA 0.186 nan 4.340 nan 0.000 0.230 22 L C -1.163 175.767 176.870 0.100 0.000 1.123 22 L CA -0.312 54.498 54.840 -0.051 0.000 0.900 22 L CB 1.007 43.045 42.059 -0.034 0.000 1.146 22 L HN -0.418 7.440 8.230 -0.333 0.172 0.484 23 V N 0.416 120.374 119.914 0.074 0.000 2.555 23 V HA 0.099 nan 4.120 nan 0.000 0.286 23 V C -1.138 175.074 176.094 0.197 0.000 1.044 23 V CA 1.484 63.861 62.300 0.129 0.000 1.026 23 V CB 0.062 31.922 31.823 0.061 0.000 0.981 23 V HN -0.694 7.347 8.190 0.021 0.162 0.480 24 F N 8.214 128.172 119.950 0.014 0.000 3.051 24 F HA 0.271 nan 4.527 nan 0.000 0.363 24 F C -1.588 174.197 175.800 -0.025 0.000 1.257 24 F CA -0.915 57.086 58.000 0.001 0.000 1.126 24 F CB 3.116 42.118 39.000 0.002 0.000 1.476 24 F HN 0.893 9.206 8.300 0.197 0.105 0.576 25 D N 8.176 128.399 120.400 -0.295 0.000 2.600 25 D HA -0.062 nan 4.640 nan 0.000 0.226 25 D C -1.383 174.787 176.300 -0.218 0.000 1.119 25 D CA 0.647 54.513 54.000 -0.224 0.000 1.051 25 D CB -1.856 38.822 40.800 -0.204 0.000 1.106 25 D HN 0.291 8.414 8.370 -0.413 0.000 0.491 26 F N 2.789 122.609 119.950 -0.217 0.000 2.420 26 F HA -0.030 nan 4.527 nan 0.000 0.352 26 F C -1.563 174.107 175.800 -0.217 0.000 1.108 26 F CA 0.063 57.958 58.000 -0.175 0.000 1.162 26 F CB 1.948 40.925 39.000 -0.039 0.000 1.118 26 F HN -0.386 7.931 8.300 0.117 0.053 0.510 27 D N 8.983 128.886 120.400 -0.828 0.000 2.443 27 D HA 0.316 nan 4.640 nan 0.000 0.221 27 D C 0.556 176.341 176.300 -0.859 0.000 1.097 27 D CA -2.087 51.568 54.000 -0.574 0.000 0.865 27 D CB -0.054 40.538 40.800 -0.347 0.000 1.034 27 D HN 0.377 8.146 8.370 -1.002 0.000 0.511 28 M N 4.315 123.565 119.600 -0.583 0.000 2.435 28 M HA -0.271 nan 4.480 nan 0.000 0.262 28 M C 0.509 176.595 176.300 -0.356 0.000 1.065 28 M CA 2.872 57.876 55.300 -0.494 0.000 1.076 28 M CB -0.287 32.184 32.600 -0.215 0.000 1.403 28 M HN 0.225 8.337 8.290 -0.297 0.000 0.454 29 Y N -3.902 116.335 120.300 -0.105 0.000 2.462 29 Y HA -0.043 nan 4.550 nan 0.000 0.261 29 Y C -0.728 175.140 175.900 -0.053 0.000 1.146 29 Y CA 0.845 58.930 58.100 -0.026 0.000 1.283 29 Y CB 0.016 38.465 38.460 -0.020 0.000 1.090 29 Y HN -0.481 7.934 8.280 -0.131 -0.213 0.526 30 N N -0.837 117.831 118.700 -0.053 0.000 2.926 30 N HA 0.161 nan 4.740 nan 0.000 0.201 30 N C -2.937 172.435 175.510 -0.230 0.000 1.419 30 N CA -1.549 51.457 53.050 -0.073 0.000 0.838 30 N CB 1.527 39.994 38.487 -0.032 0.000 1.534 30 N HN -0.447 7.634 8.380 -0.215 0.170 0.569 31 P HA 0.050 nan 4.420 nan 0.000 0.267 31 P C 0.586 177.775 177.300 -0.184 0.000 1.200 31 P CA -0.303 62.528 63.100 -0.449 0.000 0.772 31 P CB 0.474 31.994 31.700 -0.301 0.000 0.855 32 S N 3.695 119.300 115.700 -0.158 0.000 2.368 32 S HA -0.290 nan 4.470 nan 0.000 0.225 32 S C 0.608 175.204 174.600 -0.007 0.000 1.030 32 S CA 2.877 61.036 58.200 -0.068 0.000 0.999 32 S CB 0.042 63.209 63.200 -0.054 0.000 0.844 32 S HN 0.683 8.861 8.310 -0.220 0.000 0.459 33 N N -0.103 118.619 118.700 0.036 0.000 2.378 33 N HA 0.170 nan 4.740 nan 0.000 0.243 33 N C 0.249 175.803 175.510 0.074 0.000 1.137 33 N CA -0.277 52.808 53.050 0.058 0.000 0.862 33 N CB -0.323 38.212 38.487 0.080 0.000 1.116 33 N HN -0.078 8.334 8.380 0.052 0.000 0.499 34 L N 1.076 122.340 121.223 0.067 0.000 2.189 34 L HA -0.326 nan 4.340 nan 0.000 0.214 34 L C 0.864 177.770 176.870 0.061 0.000 1.097 34 L CA 2.642 57.541 54.840 0.097 0.000 0.764 34 L CB -0.199 41.914 42.059 0.090 0.000 0.900 34 L HN -0.669 7.486 8.230 0.038 0.097 0.436 35 S N -0.545 115.175 115.700 0.033 0.000 2.447 35 S HA -0.240 nan 4.470 nan 0.000 0.233 35 S C 0.899 175.492 174.600 -0.012 0.000 1.006 35 S CA 2.477 60.679 58.200 0.005 0.000 0.957 35 S CB -0.266 62.940 63.200 0.010 0.000 0.773 35 S HN 0.148 8.450 8.310 0.033 0.028 0.507 36 A N 0.727 123.557 122.820 0.016 0.000 2.251 36 A HA 0.144 nan 4.320 nan 0.000 0.209 36 A C -1.163 176.434 177.584 0.021 0.000 1.187 36 A CA -0.090 51.961 52.037 0.023 0.000 0.823 36 A CB 0.207 19.236 19.000 0.049 0.000 0.846 36 A HN -0.299 7.728 8.150 0.037 0.146 0.486 37 G N -3.271 105.522 108.800 -0.012 0.000 2.742 37 G HA2 -0.224 nan 3.960 nan 0.000 0.686 37 G HA3 -0.224 nan 3.960 nan 0.000 0.686 37 G C -0.784 174.266 174.900 0.251 0.000 1.220 37 G CA -0.864 44.244 45.100 0.015 0.000 0.783 37 G HN -0.729 7.351 8.290 -0.011 0.203 0.646 38 V N 3.157 123.372 119.914 0.501 0.000 2.287 38 V HA -0.470 nan 4.120 nan 0.000 0.248 38 V C 0.754 177.055 176.094 0.345 0.000 1.053 38 V CA 4.050 66.605 62.300 0.424 0.000 1.027 38 V CB 0.010 32.075 31.823 0.403 0.000 0.646 38 V HN 0.013 8.788 8.190 0.975 0.000 0.447 39 Q N -1.796 118.092 119.800 0.147 0.000 2.096 39 Q HA -0.394 nan 4.340 nan 0.000 0.204 39 Q C 2.276 178.358 176.000 0.137 0.000 0.982 39 Q CA 4.124 59.954 55.803 0.045 0.000 0.850 39 Q CB -0.904 27.776 28.738 -0.098 0.000 0.901 39 Q HN 0.524 8.867 8.270 0.121 0.000 0.422 40 E N -0.492 119.793 120.200 0.141 0.000 2.077 40 E HA -0.353 nan 4.350 nan 0.000 0.193 40 E C 1.873 178.576 176.600 0.173 0.000 0.989 40 E CA 3.026 59.500 56.400 0.122 0.000 0.800 40 E CB -0.915 28.848 29.700 0.104 0.000 0.746 40 E HN 0.034 8.476 8.360 0.154 0.010 0.452 41 A N -1.284 121.680 122.820 0.241 0.000 1.933 41 A HA -0.163 nan 4.320 nan 0.000 0.218 41 A C 2.662 180.452 177.584 0.345 0.000 1.175 41 A CA 2.565 54.762 52.037 0.266 0.000 0.628 41 A CB -0.617 18.543 19.000 0.267 0.000 0.814 41 A HN -0.165 8.059 8.150 0.251 0.077 0.444 42 W N -1.646 119.759 121.300 0.174 0.000 2.518 42 W HA -0.207 nan 4.660 nan 0.000 0.273 42 W C 1.782 178.245 176.519 -0.095 0.000 1.247 42 W CA 3.256 60.642 57.345 0.068 0.000 1.288 42 W CB -0.173 29.299 29.460 0.020 0.000 1.107 42 W HN 0.046 8.512 8.180 0.617 0.085 0.586 43 A N -1.181 121.739 122.820 0.167 0.000 2.172 43 A HA -0.101 nan 4.320 nan 0.000 0.216 43 A C 1.693 179.276 177.584 -0.002 0.000 1.154 43 A CA 2.361 54.424 52.037 0.044 0.000 0.701 43 A CB -1.112 17.906 19.000 0.031 0.000 0.789 43 A HN 0.194 8.380 8.150 0.218 0.094 0.465 44 V N -4.959 114.975 119.914 0.033 0.000 2.759 44 V HA -0.259 nan 4.120 nan 0.000 0.256 44 V C 1.286 177.316 176.094 -0.107 0.000 1.080 44 V CA 2.379 64.699 62.300 0.033 0.000 1.101 44 V CB -0.886 31.032 31.823 0.158 0.000 0.698 44 V HN -0.655 7.536 8.190 0.092 0.054 0.477 45 L N -2.356 118.725 121.223 -0.237 0.000 2.465 45 L HA -0.226 nan 4.340 nan 0.000 0.224 45 L C 0.873 177.541 176.870 -0.338 0.000 1.145 45 L CA 1.708 56.269 54.840 -0.465 0.000 0.834 45 L CB -0.501 41.241 42.059 -0.529 0.000 0.944 45 L HN -0.672 7.407 8.230 -0.197 0.033 0.451 46 Q N -4.222 115.458 119.800 -0.201 0.000 2.198 46 Q HA 0.022 nan 4.340 nan 0.000 0.209 46 Q C 0.229 176.160 176.000 -0.115 0.000 0.848 46 Q CA -1.265 54.450 55.803 -0.147 0.000 0.974 46 Q CB 0.387 29.063 28.738 -0.103 0.000 1.115 46 Q HN -0.315 7.666 8.270 -0.155 0.195 0.494 47 E N 1.508 121.635 120.200 -0.122 0.000 2.374 47 E HA -0.040 nan 4.350 nan 0.000 0.260 47 E C 0.846 177.398 176.600 -0.080 0.000 1.101 47 E CA -0.107 56.248 56.400 -0.074 0.000 0.907 47 E CB 0.834 30.510 29.700 -0.040 0.000 1.014 47 E HN -0.748 7.440 8.360 -0.166 0.073 0.427 48 S N 1.282 116.953 115.700 -0.048 0.000 2.440 48 S HA -0.283 nan 4.470 nan 0.000 0.238 48 S C 0.302 174.883 174.600 -0.033 0.000 1.010 48 S CA 2.720 60.896 58.200 -0.040 0.000 0.972 48 S CB -0.342 62.844 63.200 -0.024 0.000 0.774 48 S HN 0.584 8.873 8.310 -0.035 0.000 0.501 49 N N -3.062 115.624 118.700 -0.024 0.000 2.467 49 N HA -0.000 nan 4.740 nan 0.000 0.184 49 N C -0.653 174.845 175.510 -0.020 0.000 1.106 49 N CA 0.162 53.215 53.050 0.005 0.000 0.892 49 N CB 0.281 38.798 38.487 0.050 0.000 0.969 49 N HN -0.178 8.132 8.380 -0.025 0.056 0.454 50 V N 2.129 121.974 119.914 -0.115 0.000 2.384 50 V HA 0.382 nan 4.120 nan 0.000 0.287 50 V C -2.167 173.840 176.094 -0.145 0.000 1.020 50 V CA -3.132 59.035 62.300 -0.221 0.000 0.850 50 V CB -0.115 31.379 31.823 -0.548 0.000 0.987 50 V HN -0.379 7.682 8.190 -0.123 0.055 0.436 51 P HA 0.004 nan 4.420 nan 0.000 0.271 51 P C -0.333 176.923 177.300 -0.074 0.000 1.238 51 P CA -0.309 62.774 63.100 -0.029 0.000 0.794 51 P CB 0.855 32.584 31.700 0.048 0.000 0.959 52 D N -1.555 118.805 120.400 -0.068 0.000 2.178 52 D HA -0.132 nan 4.640 nan 0.000 0.202 52 D C -0.206 176.041 176.300 -0.088 0.000 0.974 52 D CA 2.770 56.706 54.000 -0.106 0.000 0.841 52 D CB 0.187 40.901 40.800 -0.143 0.000 0.953 52 D HN 0.061 8.402 8.370 -0.048 0.000 0.478 53 L N -2.662 118.543 121.223 -0.029 0.000 2.404 53 L HA 0.412 nan 4.340 nan 0.000 0.272 53 L C -1.710 175.277 176.870 0.195 0.000 0.980 53 L CA -0.974 53.899 54.840 0.055 0.000 0.836 53 L CB 2.352 44.412 42.059 0.001 0.000 1.238 53 L HN -0.838 7.364 8.230 -0.014 0.020 0.408 54 V N 1.453 121.521 119.914 0.256 0.000 3.158 54 V HA 0.760 nan 4.120 nan 0.000 0.315 54 V C -2.644 173.717 176.094 0.445 0.000 1.148 54 V CA -3.033 59.455 62.300 0.313 0.000 1.042 54 V CB 4.195 36.107 31.823 0.148 0.000 1.101 54 V HN 0.532 8.838 8.190 0.193 0.000 0.448 55 W N 0.660 121.968 121.300 0.012 0.000 2.538 55 W HA 0.575 nan 4.660 nan 0.000 0.322 55 W C -2.174 174.194 176.519 -0.251 0.000 1.028 55 W CA -1.865 55.281 57.345 -0.332 0.000 1.228 55 W CB 2.555 31.567 29.460 -0.747 0.000 1.356 55 W HN 0.677 8.931 8.180 0.291 0.101 0.452 56 T N 9.135 123.219 114.554 -0.784 0.000 2.867 56 T HA 0.509 nan 4.350 nan 0.000 0.282 56 T C -0.157 174.072 174.700 -0.786 0.000 1.000 56 T CA -1.955 59.795 62.100 -0.583 0.000 1.042 56 T CB 1.906 70.461 68.868 -0.522 0.000 0.973 56 T HN 1.029 8.599 8.240 -1.117 0.000 0.465 57 R N 3.728 124.044 120.500 -0.306 0.000 2.300 57 R HA 0.347 nan 4.340 nan 0.000 0.199 57 R C 0.484 176.699 176.300 -0.142 0.000 0.920 57 R CA 0.351 56.373 56.100 -0.131 0.000 1.046 57 R CB 0.465 30.780 30.300 0.026 0.000 0.984 57 R HN -0.032 8.347 8.270 -0.196 -0.227 0.493 58 C N -0.170 119.016 119.300 -0.190 0.000 2.649 58 C HA -0.022 nan 4.460 nan 0.000 0.377 58 C C -0.111 174.863 174.990 -0.027 0.000 1.321 58 C CA 1.110 60.066 59.018 -0.104 0.000 2.368 58 C CB -0.328 27.341 27.740 -0.118 0.000 2.597 58 C HN -0.273 7.748 8.230 -0.258 0.054 0.678 59 N N -0.658 118.060 118.700 0.031 0.000 2.708 59 N HA -0.480 nan 4.740 nan 0.000 0.251 59 N C -0.140 175.415 175.510 0.076 0.000 1.017 59 N CA 1.500 54.601 53.050 0.084 0.000 0.742 59 N CB -1.527 37.060 38.487 0.167 0.000 0.943 59 N HN 0.856 9.242 8.380 0.011 0.000 0.539 60 G N -5.835 102.990 108.800 0.041 0.000 2.234 60 G HA2 -0.339 nan 3.960 nan 0.000 0.235 60 G HA3 -0.339 nan 3.960 nan 0.000 0.235 60 G C -0.691 174.231 174.900 0.037 0.000 0.997 60 G CA -0.113 45.016 45.100 0.048 0.000 0.623 60 G HN -0.056 8.226 8.290 0.023 0.022 0.514 61 G N 1.239 109.997 108.800 -0.071 0.000 3.338 61 G HA2 -0.305 nan 3.960 nan 0.000 0.686 61 G HA3 -0.305 nan 3.960 nan 0.000 0.686 61 G C -2.626 171.819 174.900 -0.758 0.000 1.053 61 G CA -0.299 44.579 45.100 -0.370 0.000 0.852 61 G HN -0.177 7.917 8.290 -0.036 0.175 0.545 62 H N -3.300 114.794 119.070 -1.625 0.000 2.987 62 H HA 0.585 nan 4.556 nan 0.000 0.316 62 H C -1.730 172.902 175.328 -1.159 0.000 1.380 62 H CA -1.707 53.574 56.048 -1.279 0.000 1.160 62 H CB 1.958 31.458 29.762 -0.437 0.000 1.865 62 H HN 0.358 7.380 8.280 -2.097 0.000 0.521 63 W N -2.595 118.566 121.300 -0.232 0.000 2.253 63 W HA 0.526 nan 4.660 nan 0.000 0.348 63 W C 0.004 176.561 176.519 0.063 0.000 1.229 63 W CA -0.552 56.812 57.345 0.031 0.000 1.335 63 W CB 1.802 31.411 29.460 0.248 0.000 1.165 63 W HN 0.262 8.551 8.180 0.182 0.000 0.631 64 I N -0.374 120.387 120.570 0.319 0.000 2.571 64 I HA 0.361 nan 4.170 nan 0.000 0.286 64 I C -2.028 174.154 176.117 0.108 0.000 1.134 64 I CA -0.710 60.693 61.300 0.171 0.000 1.052 64 I CB 2.827 40.861 38.000 0.056 0.000 1.237 64 I HN 0.595 9.047 8.210 0.404 0.000 0.435 65 A N 7.703 130.554 122.820 0.051 0.000 2.320 65 A HA 0.482 nan 4.320 nan 0.000 0.287 65 A C -0.392 177.161 177.584 -0.052 0.000 1.181 65 A CA -0.395 51.633 52.037 -0.015 0.000 0.831 65 A CB 0.793 19.760 19.000 -0.055 0.000 1.102 65 A HN 0.098 8.276 8.150 0.046 0.000 0.513 66 T N -1.397 113.104 114.554 -0.089 0.000 3.040 66 T HA 0.159 nan 4.350 nan 0.000 0.250 66 T C 0.436 175.071 174.700 -0.109 0.000 1.058 66 T CA -0.150 61.882 62.100 -0.114 0.000 0.988 66 T CB 0.665 69.433 68.868 -0.166 0.000 0.993 66 T HN 0.721 8.904 8.240 -0.094 0.000 0.519 67 R N 0.312 120.743 120.500 -0.116 0.000 2.637 67 R HA 0.320 nan 4.340 nan 0.000 0.291 67 R C 1.145 177.381 176.300 -0.107 0.000 0.963 67 R CA -2.642 53.389 56.100 -0.114 0.000 0.901 67 R CB 1.491 31.711 30.300 -0.135 0.000 1.160 67 R HN -0.716 7.479 8.270 -0.124 0.000 0.457 68 G N 2.874 111.619 108.800 -0.092 0.000 2.469 68 G HA2 -0.440 nan 3.960 nan 0.000 0.219 68 G HA3 -0.440 nan 3.960 nan 0.000 0.219 68 G C 0.809 175.647 174.900 -0.103 0.000 1.150 68 G CA 2.275 47.322 45.100 -0.089 0.000 0.763 68 G HN 0.589 9.132 8.290 -0.085 -0.304 0.561 69 Q N 1.328 121.067 119.800 -0.102 0.000 2.061 69 Q HA -0.286 nan 4.340 nan 0.000 0.204 69 Q C 2.419 178.357 176.000 -0.102 0.000 0.984 69 Q CA 3.164 58.912 55.803 -0.091 0.000 0.846 69 Q CB -0.367 28.321 28.738 -0.084 0.000 0.902 69 Q HN 0.192 8.392 8.270 -0.099 0.010 0.421 70 L N -1.750 119.367 121.223 -0.177 0.000 2.109 70 L HA -0.269 nan 4.340 nan 0.000 0.207 70 L C 2.321 179.149 176.870 -0.070 0.000 1.086 70 L CA 2.558 57.299 54.840 -0.165 0.000 0.760 70 L CB -0.230 41.662 42.059 -0.279 0.000 0.910 70 L HN -0.660 7.454 8.230 -0.194 0.000 0.437 71 I N -0.544 119.958 120.570 -0.113 0.000 2.179 71 I HA -0.608 nan 4.170 nan 0.000 0.242 71 I C 2.140 178.224 176.117 -0.055 0.000 1.088 71 I CA 4.458 65.678 61.300 -0.134 0.000 1.357 71 I CB -0.486 37.489 38.000 -0.042 0.000 1.051 71 I HN -0.142 8.000 8.210 -0.113 0.000 0.409 72 R N -1.160 119.290 120.500 -0.082 0.000 2.073 72 R HA -0.411 nan 4.340 nan 0.000 0.234 72 R C 2.408 178.776 176.300 0.114 0.000 1.134 72 R CA 3.962 59.953 56.100 -0.183 0.000 0.952 72 R CB -0.328 29.739 30.300 -0.388 0.000 0.850 72 R HN 0.076 8.280 8.270 -0.110 0.000 0.433 73 E N -0.641 119.616 120.200 0.094 0.000 2.049 73 E HA -0.385 nan 4.350 nan 0.000 0.198 73 E C 2.327 178.992 176.600 0.109 0.000 1.007 73 E CA 2.929 59.444 56.400 0.192 0.000 0.809 73 E CB -0.178 29.716 29.700 0.324 0.000 0.749 73 E HN -0.450 7.934 8.360 0.039 0.000 0.450 74 A N -1.210 121.506 122.820 -0.175 0.000 1.933 74 A HA -0.200 nan 4.320 nan 0.000 0.218 74 A C 1.760 179.188 177.584 -0.260 0.000 1.175 74 A CA 2.762 54.369 52.037 -0.717 0.000 0.628 74 A CB -0.503 17.700 19.000 -1.329 0.000 0.814 74 A HN -0.047 8.025 8.150 -0.129 0.000 0.444 75 Y N -3.924 116.380 120.300 0.007 0.000 2.352 75 Y HA -0.301 nan 4.550 nan 0.000 0.292 75 Y C 1.774 177.815 175.900 0.236 0.000 1.136 75 Y CA 2.322 60.514 58.100 0.154 0.000 1.227 75 Y CB -0.463 38.130 38.460 0.222 0.000 0.991 75 Y HN -0.467 7.777 8.280 -0.059 0.000 0.545 76 E N -2.091 118.339 120.200 0.384 0.000 2.086 76 E HA -0.196 nan 4.350 nan 0.000 0.190 76 E C 0.701 177.464 176.600 0.272 0.000 0.975 76 E CA 1.677 58.262 56.400 0.308 0.000 0.813 76 E CB 0.504 30.365 29.700 0.268 0.000 0.768 76 E HN -0.763 7.668 8.360 0.345 0.136 0.457 77 D N 0.568 121.108 120.400 0.233 0.000 2.551 77 D HA 0.037 nan 4.640 nan 0.000 0.223 77 D C 0.427 176.816 176.300 0.149 0.000 1.144 77 D CA -1.650 52.433 54.000 0.138 0.000 1.025 77 D CB -1.256 39.697 40.800 0.255 0.000 1.085 77 D HN -0.439 8.075 8.370 0.241 0.000 0.506 78 Y N 0.285 120.684 120.300 0.164 0.000 2.497 78 Y HA -0.085 nan 4.550 nan 0.000 0.292 78 Y C -0.011 175.900 175.900 0.019 0.000 1.137 78 Y CA 1.278 59.461 58.100 0.137 0.000 1.285 78 Y CB -0.738 37.806 38.460 0.140 0.000 0.991 78 Y HN -0.362 7.867 8.280 -0.014 0.042 0.556 79 R N -2.239 117.968 120.500 -0.488 0.000 2.148 79 R HA -0.287 nan 4.340 nan 0.000 0.227 79 R C 1.389 177.384 176.300 -0.509 0.000 1.103 79 R CA 2.938 58.771 56.100 -0.445 0.000 0.983 79 R CB 0.139 30.082 30.300 -0.596 0.000 0.874 79 R HN -0.359 7.455 8.270 -0.847 -0.052 0.451 80 H N -1.774 117.054 119.070 -0.404 0.000 2.506 80 H HA 0.032 nan 4.556 nan 0.000 0.289 80 H C 0.181 175.055 175.328 -0.758 0.000 1.009 80 H CA 2.192 57.809 56.048 -0.720 0.000 1.303 80 H CB 2.164 31.176 29.762 -1.250 0.000 1.453 80 H HN -0.665 7.528 8.280 -0.311 -0.098 0.526 81 F N -1.068 118.873 119.950 -0.014 0.000 2.311 81 F HA 0.354 nan 4.527 nan 0.000 0.371 81 F C -1.754 174.081 175.800 0.058 0.000 1.083 81 F CA -1.694 56.302 58.000 -0.007 0.000 1.113 81 F CB -0.356 38.598 39.000 -0.077 0.000 1.349 81 F HN -0.362 7.965 8.300 0.045 0.000 0.470 82 S N 2.708 118.498 115.700 0.150 0.000 2.562 82 S HA 0.156 nan 4.470 nan 0.000 0.275 82 S C 1.304 175.973 174.600 0.114 0.000 1.281 82 S CA -1.574 56.710 58.200 0.140 0.000 1.045 82 S CB 1.216 64.465 63.200 0.080 0.000 0.962 82 S HN 0.442 8.804 8.310 0.087 0.000 0.503 83 S N 8.615 124.374 115.700 0.097 0.000 2.561 83 S HA -0.070 nan 4.470 nan 0.000 0.225 83 S C 0.665 175.257 174.600 -0.014 0.000 0.977 83 S CA 2.178 60.377 58.200 -0.003 0.000 0.926 83 S CB -0.112 63.027 63.200 -0.103 0.000 0.769 83 S HN 0.610 9.407 8.310 0.142 -0.401 0.533 84 E N 1.342 121.557 120.200 0.025 0.000 2.114 84 E HA -0.249 nan 4.350 nan 0.000 0.199 84 E C -0.721 175.868 176.600 -0.018 0.000 1.008 84 E CA 2.263 58.672 56.400 0.015 0.000 0.810 84 E CB 0.615 30.331 29.700 0.027 0.000 0.739 84 E HN -0.348 7.972 8.360 0.051 0.070 0.456 85 C N -1.294 117.989 119.300 -0.028 0.000 3.003 85 C HA 0.443 nan 4.460 nan 0.000 0.241 85 C C -2.286 172.660 174.990 -0.073 0.000 1.224 85 C CA -4.184 54.799 59.018 -0.058 0.000 1.560 85 C CB -0.522 27.211 27.740 -0.011 0.000 1.768 85 C HN -0.291 7.937 8.230 -0.003 0.000 0.440 86 P HA 0.095 nan 4.420 nan 0.000 0.255 86 P C -1.763 175.581 177.300 0.072 0.000 1.248 86 P CA 0.610 63.645 63.100 -0.109 0.000 0.807 86 P CB 0.700 32.252 31.700 -0.247 0.000 1.150 87 F N -2.698 117.040 119.950 -0.353 0.000 2.522 87 F HA 0.292 nan 4.527 nan 0.000 0.324 87 F C -1.345 174.339 175.800 -0.192 0.000 1.077 87 F CA -2.407 55.423 58.000 -0.284 0.000 0.944 87 F CB 2.838 41.608 39.000 -0.383 0.000 1.175 87 F HN -0.623 7.574 8.300 -0.087 0.051 0.468 88 I N 1.954 122.504 120.570 -0.034 0.000 2.493 88 I HA 0.316 nan 4.170 nan 0.000 0.298 88 I C -1.908 174.269 176.117 0.099 0.000 0.998 88 I CA -4.026 57.227 61.300 -0.079 0.000 1.137 88 I CB 3.056 40.842 38.000 -0.357 0.000 1.310 88 I HN 0.222 8.361 8.210 -0.119 0.000 0.445 89 P HA 0.296 nan 4.420 nan 0.000 0.275 89 P C 0.172 177.484 177.300 0.019 0.000 1.266 89 P CA -0.527 62.598 63.100 0.043 0.000 0.793 89 P CB 1.066 32.800 31.700 0.056 0.000 1.074 90 R N 0.876 121.385 120.500 0.016 0.000 2.117 90 R HA -0.516 nan 4.340 nan 0.000 0.243 90 R C 1.762 178.064 176.300 0.004 0.000 1.143 90 R CA 4.320 60.428 56.100 0.013 0.000 0.968 90 R CB -0.331 29.989 30.300 0.034 0.000 0.863 90 R HN 0.502 8.785 8.270 0.022 0.000 0.444 91 E N -2.155 118.055 120.200 0.017 0.000 2.118 91 E HA -0.310 nan 4.350 nan 0.000 0.195 91 E C 1.812 178.412 176.600 0.001 0.000 0.992 91 E CA 3.080 59.493 56.400 0.020 0.000 0.804 91 E CB -1.184 28.538 29.700 0.037 0.000 0.741 91 E HN 0.221 8.573 8.360 0.025 0.023 0.458 92 A N -0.848 121.960 122.820 -0.021 0.000 1.874 92 A HA -0.007 nan 4.320 nan 0.000 0.214 92 A C 2.085 179.450 177.584 -0.366 0.000 1.189 92 A CA 2.679 54.612 52.037 -0.173 0.000 0.615 92 A CB -0.666 18.313 19.000 -0.034 0.000 0.830 92 A HN -0.255 7.785 8.150 0.008 0.116 0.443 93 G N -1.736 106.963 108.800 -0.169 0.000 2.450 93 G HA2 -0.315 nan 3.960 nan 0.000 0.220 93 G HA3 -0.315 nan 3.960 nan 0.000 0.220 93 G C 1.208 176.017 174.900 -0.151 0.000 1.130 93 G CA 1.661 46.653 45.100 -0.180 0.000 0.760 93 G HN -0.267 7.980 8.290 -0.072 0.000 0.557 94 E N 1.049 121.194 120.200 -0.092 0.000 2.112 94 E HA -0.168 nan 4.350 nan 0.000 0.190 94 E C 1.523 178.094 176.600 -0.047 0.000 0.979 94 E CA 1.210 57.582 56.400 -0.047 0.000 0.814 94 E CB 0.277 29.970 29.700 -0.012 0.000 0.762 94 E HN -0.081 8.217 8.360 -0.076 0.016 0.460 95 A N -0.765 122.020 122.820 -0.059 0.000 2.066 95 A HA -0.114 nan 4.320 nan 0.000 0.218 95 A C -0.215 177.336 177.584 -0.054 0.000 1.157 95 A CA 0.804 52.842 52.037 0.003 0.000 0.670 95 A CB 0.516 19.600 19.000 0.140 0.000 0.804 95 A HN -0.667 7.436 8.150 -0.079 0.000 0.453 96 Y N 1.257 121.287 120.300 -0.451 0.000 2.677 96 Y HA -0.306 nan 4.550 nan 0.000 0.335 96 Y C -1.499 174.172 175.900 -0.382 0.000 1.162 96 Y CA 0.895 58.605 58.100 -0.650 0.000 1.483 96 Y CB 0.130 37.974 38.460 -1.028 0.000 1.209 96 Y HN -0.286 7.781 8.280 -0.305 0.029 0.528 97 D N 5.390 125.498 120.400 -0.487 0.000 2.692 97 D HA -0.062 nan 4.640 nan 0.000 0.290 97 D C -1.351 174.880 176.300 -0.115 0.000 1.455 97 D CA -1.310 52.586 54.000 -0.174 0.000 0.796 97 D CB -0.054 40.724 40.800 -0.036 0.000 1.131 97 D HN 0.058 7.929 8.370 -0.832 0.000 0.467 98 F N -0.196 119.524 119.950 -0.383 0.000 2.553 98 F HA 0.033 nan 4.527 nan 0.000 0.356 98 F C -0.687 175.067 175.800 -0.075 0.000 1.142 98 F CA -1.096 56.759 58.000 -0.242 0.000 1.322 98 F CB 0.403 39.163 39.000 -0.401 0.000 1.126 98 F HN -0.386 7.197 8.300 -1.196 0.000 0.599 99 I N 2.044 122.697 120.570 0.138 0.000 2.441 99 I HA 0.205 nan 4.170 nan 0.000 0.295 99 I C -1.608 174.557 176.117 0.080 0.000 0.994 99 I CA -3.144 58.158 61.300 0.004 0.000 1.144 99 I CB 2.071 39.945 38.000 -0.211 0.000 1.314 99 I HN -0.526 7.666 8.210 0.152 0.109 0.445 100 P HA 0.187 nan 4.420 nan 0.000 0.262 100 P C 0.503 177.971 177.300 0.278 0.000 1.304 100 P CA 0.215 63.394 63.100 0.132 0.000 0.859 100 P CB 0.620 32.418 31.700 0.164 0.000 1.310 101 T N 1.699 116.433 114.554 0.300 0.000 2.849 101 T HA -0.234 nan 4.350 nan 0.000 0.270 101 T C 1.216 176.004 174.700 0.146 0.000 1.066 101 T CA 3.476 65.729 62.100 0.256 0.000 1.130 101 T CB -0.792 68.290 68.868 0.358 0.000 0.864 101 T HN 0.310 8.648 8.240 0.275 0.067 0.481 102 S N -0.265 115.566 115.700 0.218 0.000 2.605 102 S HA 0.017 nan 4.470 nan 0.000 0.217 102 S C -0.420 174.234 174.600 0.090 0.000 0.958 102 S CA 1.025 59.308 58.200 0.139 0.000 0.919 102 S CB 0.647 63.943 63.200 0.160 0.000 0.780 102 S HN -0.257 8.168 8.310 0.228 0.022 0.507 103 M N 1.773 121.457 119.600 0.140 0.000 2.598 103 M HA 0.112 nan 4.480 nan 0.000 0.317 103 M C -1.911 174.513 176.300 0.206 0.000 1.179 103 M CA -0.216 55.159 55.300 0.124 0.000 0.936 103 M CB 3.474 36.115 32.600 0.068 0.000 1.713 103 M HN -0.556 7.786 8.290 0.220 0.079 0.460 104 D N 1.182 121.653 120.400 0.119 0.000 2.272 104 D HA 0.489 nan 4.640 nan 0.000 0.247 104 D C -1.842 174.383 176.300 -0.124 0.000 0.990 104 D CA -2.538 51.499 54.000 0.062 0.000 0.931 104 D CB 1.082 41.947 40.800 0.109 0.000 1.195 104 D HN 0.326 8.747 8.370 0.086 0.000 0.477 105 P HA 0.087 nan 4.420 nan 0.000 0.269 105 P C -1.493 175.662 177.300 -0.242 0.000 1.215 105 P CA -1.235 61.595 63.100 -0.450 0.000 0.780 105 P CB -0.063 31.128 31.700 -0.850 0.000 0.898 106 P HA 0.036 nan 4.420 nan 0.000 0.251 106 P C 0.717 178.002 177.300 -0.024 0.000 1.223 106 P CA 0.808 63.861 63.100 -0.077 0.000 0.796 106 P CB 0.946 32.629 31.700 -0.028 0.000 1.068 107 E N 0.709 120.919 120.200 0.017 0.000 2.097 107 E HA -0.474 nan 4.350 nan 0.000 0.196 107 E C 1.342 178.061 176.600 0.198 0.000 1.000 107 E CA 3.294 59.758 56.400 0.107 0.000 0.804 107 E CB -0.348 29.420 29.700 0.112 0.000 0.740 107 E HN -0.130 8.175 8.360 0.003 0.057 0.454 108 Q N -3.198 116.667 119.800 0.109 0.000 2.364 108 Q HA -0.249 nan 4.340 nan 0.000 0.207 108 Q C 1.758 177.833 176.000 0.125 0.000 0.970 108 Q CA 1.401 57.297 55.803 0.154 0.000 0.888 108 Q CB -1.131 27.602 28.738 -0.008 0.000 0.951 108 Q HN -0.577 7.693 8.270 0.019 0.012 0.469 109 R N 0.677 121.190 120.500 0.022 0.000 2.154 109 R HA -0.527 nan 4.340 nan 0.000 0.236 109 R C 2.111 178.390 176.300 -0.035 0.000 1.121 109 R CA 4.000 60.083 56.100 -0.027 0.000 0.915 109 R CB -0.483 29.788 30.300 -0.049 0.000 0.856 109 R HN -0.176 7.946 8.270 -0.003 0.146 0.431 110 Q N -2.967 116.772 119.800 -0.101 0.000 2.135 110 Q HA -0.297 nan 4.340 nan 0.000 0.204 110 Q C 2.905 178.764 176.000 -0.235 0.000 0.981 110 Q CA 3.218 58.885 55.803 -0.227 0.000 0.856 110 Q CB -0.523 27.977 28.738 -0.396 0.000 0.902 110 Q HN 0.489 8.706 8.270 -0.088 0.000 0.425 111 F N -1.296 118.646 119.950 -0.013 0.000 2.186 111 F HA -0.248 nan 4.527 nan 0.000 0.299 111 F C 2.200 177.999 175.800 -0.002 0.000 1.090 111 F CA 3.275 61.275 58.000 -0.000 0.000 1.307 111 F CB -0.607 38.402 39.000 0.015 0.000 1.019 111 F HN -0.919 7.365 8.300 -0.003 0.014 0.489 112 R N 0.135 120.727 120.500 0.154 0.000 2.092 112 R HA -0.416 nan 4.340 nan 0.000 0.231 112 R C 2.032 178.354 176.300 0.037 0.000 1.119 112 R CA 3.330 59.474 56.100 0.075 0.000 0.970 112 R CB -0.155 30.153 30.300 0.015 0.000 0.864 112 R HN 0.366 8.727 8.270 0.151 0.000 0.440 113 A N -0.653 122.171 122.820 0.007 0.000 1.902 113 A HA -0.246 nan 4.320 nan 0.000 0.217 113 A C 2.115 179.697 177.584 -0.003 0.000 1.181 113 A CA 2.974 55.004 52.037 -0.012 0.000 0.623 113 A CB -0.806 18.171 19.000 -0.039 0.000 0.818 113 A HN -0.344 7.805 8.150 -0.002 0.000 0.443 114 L N -1.555 119.669 121.223 0.001 0.000 2.027 114 L HA -0.317 nan 4.340 nan 0.000 0.206 114 L C 1.709 178.599 176.870 0.033 0.000 1.074 114 L CA 2.525 57.371 54.840 0.010 0.000 0.745 114 L CB -0.494 41.573 42.059 0.013 0.000 0.898 114 L HN -0.696 7.531 8.230 -0.005 0.000 0.433 115 A N -2.337 120.518 122.820 0.058 0.000 1.972 115 A HA -0.420 nan 4.320 nan 0.000 0.219 115 A C 1.941 179.552 177.584 0.044 0.000 1.169 115 A CA 3.029 55.102 52.037 0.060 0.000 0.635 115 A CB -0.948 18.098 19.000 0.076 0.000 0.810 115 A HN -0.133 8.063 8.150 0.077 0.000 0.446 116 N N -2.724 115.997 118.700 0.035 0.000 2.244 116 N HA -0.281 nan 4.740 nan 0.000 0.183 116 N C 2.248 177.770 175.510 0.020 0.000 1.016 116 N CA 2.757 55.825 53.050 0.030 0.000 0.866 116 N CB 0.047 38.547 38.487 0.021 0.000 0.980 116 N HN -0.053 8.243 8.380 0.034 0.105 0.430 117 Q N -2.300 117.506 119.800 0.011 0.000 2.124 117 Q HA -0.257 nan 4.340 nan 0.000 0.202 117 Q C 1.001 177.003 176.000 0.004 0.000 0.977 117 Q CA 2.781 58.585 55.803 0.001 0.000 0.850 117 Q CB 0.110 28.845 28.738 -0.005 0.000 0.901 117 Q HN -0.363 7.786 8.270 0.012 0.128 0.429 118 V N -8.661 111.260 119.914 0.013 0.000 2.649 118 V HA 0.156 nan 4.120 nan 0.000 0.248 118 V C 1.058 177.164 176.094 0.021 0.000 1.054 118 V CA 1.405 63.712 62.300 0.011 0.000 1.073 118 V CB 0.357 32.188 31.823 0.014 0.000 0.699 118 V HN -0.768 7.329 8.190 0.020 0.105 0.463 119 V N -7.583 112.355 119.914 0.040 0.000 3.477 119 V HA 0.521 nan 4.120 nan 0.000 0.297 119 V C 0.497 176.628 176.094 0.061 0.000 1.433 119 V CA -0.982 61.351 62.300 0.055 0.000 1.052 119 V CB -0.023 31.845 31.823 0.075 0.000 0.895 119 V HN -0.357 7.857 8.190 0.041 0.000 0.438 120 G N -0.411 108.422 108.800 0.055 0.000 2.590 120 G HA2 -0.042 nan 3.960 nan 0.000 0.276 120 G HA3 -0.042 nan 3.960 nan 0.000 0.276 120 G C -0.081 174.846 174.900 0.045 0.000 1.337 120 G CA 0.138 45.284 45.100 0.077 0.000 1.030 120 G HN -0.440 7.791 8.290 0.039 0.082 0.534 121 M N -0.073 119.496 119.600 -0.052 0.000 2.080 121 M HA -0.164 nan 4.480 nan 0.000 0.260 121 M C -0.957 175.291 176.300 -0.087 0.000 1.068 121 M CA 4.219 59.408 55.300 -0.184 0.000 1.109 121 M CB -2.067 30.296 32.600 -0.396 0.000 1.342 121 M HN 0.485 8.743 8.290 -0.053 0.000 0.405 122 P HA -0.275 nan 4.420 nan 0.000 0.215 122 P C 1.553 178.838 177.300 -0.024 0.000 1.157 122 P CA 3.120 66.195 63.100 -0.042 0.000 0.874 122 P CB -0.988 30.692 31.700 -0.035 0.000 0.790 123 V N -2.793 117.113 119.914 -0.014 0.000 2.407 123 V HA -0.284 nan 4.120 nan 0.000 0.248 123 V C 2.376 178.471 176.094 0.001 0.000 1.055 123 V CA 3.833 66.129 62.300 -0.007 0.000 1.049 123 V CB -0.584 31.238 31.823 -0.001 0.000 0.662 123 V HN -0.455 7.727 8.190 -0.013 0.000 0.455 124 V N -0.087 119.832 119.914 0.009 0.000 2.427 124 V HA -0.518 nan 4.120 nan 0.000 0.248 124 V C 1.828 177.931 176.094 0.015 0.000 1.051 124 V CA 4.040 66.353 62.300 0.022 0.000 1.048 124 V CB -1.087 30.762 31.823 0.042 0.000 0.666 124 V HN -0.389 7.724 8.190 0.007 0.081 0.456 125 D N -1.139 119.260 120.400 -0.001 0.000 2.097 125 D HA -0.236 nan 4.640 nan 0.000 0.195 125 D C 2.848 179.150 176.300 0.004 0.000 0.989 125 D CA 3.167 57.166 54.000 -0.001 0.000 0.827 125 D CB -0.495 40.296 40.800 -0.016 0.000 0.966 125 D HN -0.171 8.112 8.370 -0.013 0.080 0.456 126 K N 0.821 121.220 120.400 -0.002 0.000 2.063 126 K HA -0.234 nan 4.320 nan 0.000 0.208 126 K C 2.107 178.709 176.600 0.004 0.000 1.048 126 K CA 2.721 59.006 56.287 -0.002 0.000 0.928 126 K CB 0.067 32.562 32.500 -0.008 0.000 0.713 126 K HN -0.248 7.998 8.250 -0.007 0.000 0.442 127 L N -3.908 117.319 121.223 0.007 0.000 2.592 127 L HA 0.144 nan 4.340 nan 0.000 0.227 127 L C 0.468 177.356 176.870 0.031 0.000 1.127 127 L CA -0.169 54.678 54.840 0.012 0.000 0.884 127 L CB -0.128 41.932 42.059 0.003 0.000 1.065 127 L HN -0.283 7.951 8.230 0.006 0.000 0.457 128 E N 1.081 121.303 120.200 0.036 0.000 2.136 128 E HA -0.531 nan 4.350 nan 0.000 0.202 128 E C 1.464 178.102 176.600 0.063 0.000 1.019 128 E CA 4.212 60.645 56.400 0.054 0.000 0.819 128 E CB -0.516 29.211 29.700 0.045 0.000 0.739 128 E HN -0.416 7.788 8.360 0.027 0.172 0.458 129 N N -1.828 116.899 118.700 0.046 0.000 2.166 129 N HA -0.273 nan 4.740 nan 0.000 0.186 129 N C 2.367 177.911 175.510 0.057 0.000 1.019 129 N CA 2.831 55.909 53.050 0.047 0.000 0.856 129 N CB -0.256 38.250 38.487 0.032 0.000 0.993 129 N HN 0.216 8.610 8.380 0.035 0.007 0.426 130 R N -0.224 120.307 120.500 0.052 0.000 2.090 130 R HA -0.196 nan 4.340 nan 0.000 0.228 130 R C 2.218 178.579 176.300 0.102 0.000 1.110 130 R CA 1.725 57.859 56.100 0.058 0.000 0.973 130 R CB -0.930 29.390 30.300 0.032 0.000 0.869 130 R HN -0.413 7.794 8.270 0.041 0.088 0.440 131 I N 0.934 121.576 120.570 0.120 0.000 2.142 131 I HA -0.551 nan 4.170 nan 0.000 0.240 131 I C 1.710 177.999 176.117 0.287 0.000 1.078 131 I CA 4.376 65.811 61.300 0.226 0.000 1.343 131 I CB -0.420 37.693 38.000 0.189 0.000 1.046 131 I HN 0.064 8.316 8.210 0.089 0.011 0.405 132 Q N -1.069 118.836 119.800 0.175 0.000 2.096 132 Q HA -0.412 nan 4.340 nan 0.000 0.204 132 Q C 1.939 177.999 176.000 0.101 0.000 0.982 132 Q CA 3.166 59.045 55.803 0.125 0.000 0.850 132 Q CB -0.614 28.176 28.738 0.086 0.000 0.901 132 Q HN -0.036 8.318 8.270 0.141 0.000 0.422 133 E N -0.214 120.043 120.200 0.096 0.000 2.038 133 E HA -0.362 nan 4.350 nan 0.000 0.195 133 E C 2.299 178.951 176.600 0.086 0.000 1.000 133 E CA 2.981 59.425 56.400 0.074 0.000 0.803 133 E CB -0.064 29.673 29.700 0.061 0.000 0.750 133 E HN -0.449 7.889 8.360 0.099 0.082 0.448 134 L N -0.580 120.724 121.223 0.135 0.000 2.017 134 L HA -0.339 nan 4.340 nan 0.000 0.208 134 L C 1.604 178.542 176.870 0.113 0.000 1.073 134 L CA 3.029 57.963 54.840 0.157 0.000 0.745 134 L CB -0.581 41.623 42.059 0.242 0.000 0.894 134 L HN -0.063 8.262 8.230 0.158 0.000 0.432 135 A N -0.907 121.948 122.820 0.058 0.000 1.865 135 A HA -0.421 nan 4.320 nan 0.000 0.217 135 A C 1.946 179.534 177.584 0.007 0.000 1.191 135 A CA 3.494 55.424 52.037 -0.179 0.000 0.623 135 A CB -1.221 17.590 19.000 -0.315 0.000 0.826 135 A HN 0.019 8.285 8.150 0.193 0.000 0.444 136 C N -1.844 117.464 119.300 0.013 0.000 2.413 136 C HA -0.416 nan 4.460 nan 0.000 0.276 136 C C 2.124 177.121 174.990 0.012 0.000 1.248 136 C CA 4.273 63.295 59.018 0.006 0.000 1.742 136 C CB -2.394 25.352 27.740 0.010 0.000 2.017 136 C HN -0.223 8.021 8.230 0.023 0.000 0.481 137 S N 0.343 116.061 115.700 0.030 0.000 2.343 137 S HA -0.354 nan 4.470 nan 0.000 0.219 137 S C 1.971 176.595 174.600 0.040 0.000 1.033 137 S CA 3.613 61.832 58.200 0.031 0.000 1.014 137 S CB -0.047 63.176 63.200 0.039 0.000 0.915 137 S HN -0.344 7.907 8.310 0.040 0.083 0.435 138 L N 1.100 122.360 121.223 0.062 0.000 2.043 138 L HA -0.321 nan 4.340 nan 0.000 0.212 138 L C 2.218 179.162 176.870 0.125 0.000 1.075 138 L CA 3.079 57.978 54.840 0.098 0.000 0.752 138 L CB -0.581 41.529 42.059 0.085 0.000 0.891 138 L HN 0.153 8.418 8.230 0.058 0.000 0.432 139 I N -1.988 118.642 120.570 0.100 0.000 2.353 139 I HA -0.558 nan 4.170 nan 0.000 0.248 139 I C 1.879 177.920 176.117 -0.127 0.000 1.119 139 I CA 4.295 65.551 61.300 -0.073 0.000 1.417 139 I CB -0.321 37.574 38.000 -0.176 0.000 1.078 139 I HN -0.061 8.214 8.210 0.117 0.005 0.421 140 E N 0.116 120.278 120.200 -0.064 0.000 2.268 140 E HA -0.297 nan 4.350 nan 0.000 0.195 140 E C 1.246 177.838 176.600 -0.014 0.000 0.995 140 E CA 2.267 58.635 56.400 -0.052 0.000 0.836 140 E CB -0.573 29.109 29.700 -0.030 0.000 0.763 140 E HN 0.038 8.379 8.360 -0.033 0.000 0.491 141 S N -1.197 114.510 115.700 0.011 0.000 2.357 141 S HA -0.182 nan 4.470 nan 0.000 0.221 141 S C 1.955 176.590 174.600 0.059 0.000 1.031 141 S CA 3.171 61.391 58.200 0.035 0.000 0.982 141 S CB 0.322 63.549 63.200 0.046 0.000 0.853 141 S HN -0.624 7.675 8.310 0.016 0.021 0.458 142 L N 0.298 121.568 121.223 0.080 0.000 2.056 142 L HA -0.323 nan 4.340 nan 0.000 0.207 142 L C 1.751 178.790 176.870 0.282 0.000 1.078 142 L CA 2.290 57.237 54.840 0.179 0.000 0.749 142 L CB -0.299 41.885 42.059 0.209 0.000 0.901 142 L HN -0.718 7.544 8.230 0.054 0.000 0.433 143 R N -0.230 120.343 120.500 0.122 0.000 2.159 143 R HA -0.344 nan 4.340 nan 0.000 0.249 143 R C -0.746 175.736 176.300 0.302 0.000 1.136 143 R CA 5.686 61.882 56.100 0.160 0.000 0.951 143 R CB -2.081 28.192 30.300 -0.046 0.000 0.876 143 R HN 0.037 8.296 8.270 -0.018 0.000 0.440 144 P HA -0.062 nan 4.420 nan 0.000 0.221 144 P C 0.625 177.932 177.300 0.011 0.000 1.150 144 P CA 2.001 65.147 63.100 0.076 0.000 0.800 144 P CB -0.480 31.241 31.700 0.036 0.000 0.787 145 Q N -3.210 116.586 119.800 -0.007 0.000 2.181 145 Q HA -0.213 nan 4.340 nan 0.000 0.205 145 Q C 1.375 177.142 176.000 -0.389 0.000 0.980 145 Q CA 1.144 56.863 55.803 -0.140 0.000 0.862 145 Q CB 0.134 28.813 28.738 -0.099 0.000 0.905 145 Q HN -0.064 8.118 8.270 0.073 0.132 0.429 146 G N -2.264 106.095 108.800 -0.735 0.000 2.155 146 G HA2 -0.462 nan 3.960 nan 0.000 0.257 146 G HA3 -0.462 nan 3.960 nan 0.000 0.257 146 G C -1.882 172.051 174.900 -1.611 0.000 0.983 146 G CA 0.073 44.360 45.100 -1.356 0.000 0.676 146 G HN -0.298 7.708 8.290 -0.438 0.022 0.528 147 Q N -4.571 114.281 119.800 -1.580 0.000 2.776 147 Q HA 0.662 nan 4.340 nan 0.000 0.289 147 Q C -2.026 173.788 176.000 -0.309 0.000 0.912 147 Q CA -1.014 54.281 55.803 -0.845 0.000 0.789 147 Q CB 2.821 31.337 28.738 -0.370 0.000 1.498 147 Q HN -0.478 6.924 8.270 -1.372 0.044 0.408 148 C N -3.730 115.614 119.300 0.073 0.000 3.224 148 C HA 0.397 nan 4.460 nan 0.000 0.348 148 C C -2.423 172.709 174.990 0.236 0.000 1.242 148 C CA -0.956 58.199 59.018 0.229 0.000 1.180 148 C CB 3.491 31.510 27.740 0.465 0.000 1.458 148 C HN 0.617 8.908 8.230 0.102 0.000 0.485 149 N N 2.090 120.900 118.700 0.185 0.000 2.678 149 N HA 0.415 nan 4.740 nan 0.000 0.231 149 N C 0.628 176.254 175.510 0.194 0.000 1.038 149 N CA -1.819 51.330 53.050 0.164 0.000 0.932 149 N CB 0.993 39.540 38.487 0.100 0.000 1.176 149 N HN -0.105 8.630 8.380 0.154 -0.263 0.511 150 F N 7.663 127.667 119.950 0.090 0.000 2.141 150 F HA -0.522 nan 4.527 nan 0.000 0.300 150 F C 0.789 176.615 175.800 0.044 0.000 1.079 150 F CA 4.491 62.519 58.000 0.047 0.000 1.264 150 F CB 0.191 39.129 39.000 -0.104 0.000 1.011 150 F HN 0.213 8.737 8.300 0.374 0.000 0.487 151 T N -5.443 109.181 114.554 0.117 0.000 2.746 151 T HA -0.450 nan 4.350 nan 0.000 0.267 151 T C 1.943 176.616 174.700 -0.046 0.000 1.039 151 T CA 3.492 65.602 62.100 0.016 0.000 1.142 151 T CB -0.753 68.134 68.868 0.032 0.000 0.866 151 T HN 0.322 8.654 8.240 0.185 0.018 0.444 152 E N -0.469 119.725 120.200 -0.011 0.000 2.307 152 E HA 0.012 nan 4.350 nan 0.000 0.195 152 E C 1.556 178.145 176.600 -0.018 0.000 0.975 152 E CA 1.618 58.011 56.400 -0.013 0.000 0.878 152 E CB 0.208 29.916 29.700 0.013 0.000 0.845 152 E HN -0.404 7.972 8.360 0.026 0.000 0.488 153 D N -1.475 118.924 120.400 -0.001 0.000 2.323 153 D HA -0.039 nan 4.640 nan 0.000 0.209 153 D C -0.362 175.956 176.300 0.029 0.000 0.973 153 D CA 1.884 55.909 54.000 0.042 0.000 0.874 153 D CB 0.695 41.574 40.800 0.131 0.000 0.930 153 D HN -0.041 8.335 8.370 0.010 0.000 0.521 154 Y N -1.929 118.187 120.300 -0.307 0.000 3.189 154 Y HA 0.022 nan 4.550 nan 0.000 0.213 154 Y C -0.159 175.500 175.900 -0.401 0.000 1.032 154 Y CA 1.832 59.702 58.100 -0.384 0.000 1.482 154 Y CB 1.715 39.808 38.460 -0.611 0.000 1.460 154 Y HN -0.475 7.634 8.280 -0.225 0.036 0.398 155 A N -0.073 122.452 122.820 -0.491 0.000 1.958 155 A HA -0.357 nan 4.320 nan 0.000 0.221 155 A C 1.473 179.003 177.584 -0.089 0.000 1.178 155 A CA 3.360 55.286 52.037 -0.186 0.000 0.642 155 A CB -0.620 18.312 19.000 -0.114 0.000 0.816 155 A HN 0.155 7.724 8.150 -0.969 0.000 0.453 156 E N -2.420 117.710 120.200 -0.116 0.000 2.057 156 E HA 0.129 nan 4.350 nan 0.000 0.190 156 E C -0.876 175.673 176.600 -0.086 0.000 0.969 156 E CA 3.039 59.393 56.400 -0.076 0.000 0.812 156 E CB -1.069 28.599 29.700 -0.053 0.000 0.777 156 E HN -0.674 7.586 8.360 -0.149 0.011 0.455 157 P HA -0.235 nan 4.420 nan 0.000 0.214 157 P C 1.317 178.560 177.300 -0.094 0.000 1.163 157 P CA 2.764 65.814 63.100 -0.083 0.000 0.883 157 P CB -0.213 31.439 31.700 -0.080 0.000 0.788 158 F N -0.993 118.730 119.950 -0.378 0.000 2.025 158 F HA -0.279 nan 4.527 nan 0.000 0.297 158 F C -1.667 174.033 175.800 -0.166 0.000 1.132 158 F CA 4.735 62.502 58.000 -0.388 0.000 1.191 158 F CB -2.653 35.851 39.000 -0.826 0.000 0.963 158 F HN -0.239 7.916 8.300 -0.241 0.000 0.481 159 P HA -0.240 nan 4.420 nan 0.000 0.216 159 P C 1.888 179.071 177.300 -0.195 0.000 1.153 159 P CA 3.185 66.031 63.100 -0.424 0.000 0.844 159 P CB -0.228 31.362 31.700 -0.183 0.000 0.787 160 I N -2.300 118.205 120.570 -0.109 0.000 2.179 160 I HA -0.568 nan 4.170 nan 0.000 0.242 160 I C 2.031 178.163 176.117 0.026 0.000 1.088 160 I CA 4.081 65.374 61.300 -0.011 0.000 1.357 160 I CB -0.392 37.598 38.000 -0.017 0.000 1.051 160 I HN -0.178 7.961 8.210 -0.118 0.000 0.409 161 R N -1.012 119.467 120.500 -0.034 0.000 2.096 161 R HA -0.311 nan 4.340 nan 0.000 0.235 161 R C 2.840 179.117 176.300 -0.039 0.000 1.127 161 R CA 3.599 59.686 56.100 -0.022 0.000 0.968 161 R CB -0.199 30.088 30.300 -0.021 0.000 0.861 161 R HN -0.053 8.068 8.270 -0.069 0.108 0.440 162 I N -0.294 120.220 120.570 -0.093 0.000 2.315 162 I HA -0.484 nan 4.170 nan 0.000 0.248 162 I C 1.473 177.563 176.117 -0.045 0.000 1.117 162 I CA 3.844 65.085 61.300 -0.098 0.000 1.404 162 I CB -0.099 37.776 38.000 -0.208 0.000 1.071 162 I HN -0.593 7.520 8.210 -0.161 0.000 0.419 163 F N 1.716 121.597 119.950 -0.116 0.000 2.163 163 F HA -0.376 nan 4.527 nan 0.000 0.297 163 F C 1.251 177.022 175.800 -0.048 0.000 1.094 163 F CA 3.904 61.858 58.000 -0.077 0.000 1.290 163 F CB 0.518 39.472 39.000 -0.076 0.000 1.017 163 F HN -0.403 7.873 8.300 0.101 0.085 0.483 164 M N -1.202 118.364 119.600 -0.057 0.000 2.159 164 M HA -0.342 nan 4.480 nan 0.000 0.263 164 M C 2.388 178.585 176.300 -0.172 0.000 1.063 164 M CA 1.615 56.851 55.300 -0.108 0.000 1.110 164 M CB -1.482 31.129 32.600 0.018 0.000 1.374 164 M HN 0.496 8.733 8.290 0.088 0.106 0.411 165 L N -0.379 120.764 121.223 -0.134 0.000 2.017 165 L HA -0.242 nan 4.340 nan 0.000 0.208 165 L C 1.305 178.081 176.870 -0.157 0.000 1.073 165 L CA 3.046 57.820 54.840 -0.111 0.000 0.745 165 L CB -0.406 41.609 42.059 -0.073 0.000 0.894 165 L HN -0.250 7.832 8.230 -0.099 0.088 0.432 166 L N -3.128 117.959 121.223 -0.226 0.000 2.056 166 L HA -0.167 nan 4.340 nan 0.000 0.207 166 L C 1.413 178.105 176.870 -0.296 0.000 1.078 166 L CA 2.590 57.288 54.840 -0.238 0.000 0.749 166 L CB 0.453 42.373 42.059 -0.231 0.000 0.901 166 L HN -0.433 7.586 8.230 -0.235 0.070 0.433 167 A N -3.426 119.105 122.820 -0.480 0.000 2.169 167 A HA 0.009 nan 4.320 nan 0.000 0.212 167 A C -0.127 177.339 177.584 -0.196 0.000 1.153 167 A CA 0.571 52.375 52.037 -0.390 0.000 0.756 167 A CB 0.341 18.976 19.000 -0.608 0.000 0.813 167 A HN 0.182 7.938 8.150 -0.655 0.000 0.471 168 G N -2.597 106.104 108.800 -0.165 0.000 2.298 168 G HA2 -0.376 nan 3.960 nan 0.000 0.287 168 G HA3 -0.376 nan 3.960 nan 0.000 0.287 168 G C -0.860 174.013 174.900 -0.045 0.000 1.075 168 G CA 0.467 45.515 45.100 -0.087 0.000 0.960 168 G HN -0.352 7.662 8.290 -0.204 0.154 0.502 169 L N -0.495 120.709 121.223 -0.032 0.000 2.346 169 L HA 0.288 nan 4.340 nan 0.000 0.274 169 L C -2.339 174.564 176.870 0.055 0.000 1.007 169 L CA -3.281 51.589 54.840 0.051 0.000 0.818 169 L CB 1.483 43.617 42.059 0.126 0.000 1.284 169 L HN -0.147 8.039 8.230 -0.074 0.000 0.424 170 P HA 0.050 nan 4.420 nan 0.000 0.263 170 P C 0.550 177.892 177.300 0.069 0.000 1.195 170 P CA -0.391 62.748 63.100 0.066 0.000 0.762 170 P CB 0.536 32.283 31.700 0.079 0.000 0.799 171 E N 4.892 125.119 120.200 0.044 0.000 2.401 171 E HA -0.375 nan 4.350 nan 0.000 0.199 171 E C 1.933 178.561 176.600 0.046 0.000 1.023 171 E CA 3.080 59.504 56.400 0.040 0.000 0.859 171 E CB -0.391 29.324 29.700 0.025 0.000 0.780 171 E HN 0.656 9.035 8.360 0.032 0.000 0.523 172 E N -1.204 119.028 120.200 0.052 0.000 2.204 172 E HA -0.207 nan 4.350 nan 0.000 0.194 172 E C 1.193 177.837 176.600 0.073 0.000 0.989 172 E CA 2.421 58.853 56.400 0.053 0.000 0.824 172 E CB -0.688 29.041 29.700 0.049 0.000 0.756 172 E HN 0.225 8.548 8.360 0.052 0.068 0.477 173 D N -2.143 118.318 120.400 0.101 0.000 2.349 173 D HA 0.052 nan 4.640 nan 0.000 0.224 173 D C 1.003 177.342 176.300 0.065 0.000 1.029 173 D CA 1.068 55.142 54.000 0.123 0.000 0.879 173 D CB -0.045 40.884 40.800 0.215 0.000 0.906 173 D HN -0.020 8.260 8.370 0.104 0.153 0.528 174 I N 0.779 121.379 120.570 0.051 0.000 2.118 174 I HA -0.335 nan 4.170 nan 0.000 0.241 174 I C -1.090 175.042 176.117 0.025 0.000 1.070 174 I CA 6.035 67.351 61.300 0.026 0.000 1.327 174 I CB -2.299 35.717 38.000 0.027 0.000 1.034 174 I HN -0.695 7.379 8.210 0.057 0.170 0.405 175 P HA -0.240 nan 4.420 nan 0.000 0.215 175 P C 1.542 178.898 177.300 0.093 0.000 1.153 175 P CA 3.522 66.657 63.100 0.059 0.000 0.853 175 P CB -0.831 30.900 31.700 0.051 0.000 0.788 176 H N -0.504 118.568 119.070 0.004 0.000 2.326 176 H HA -0.178 nan 4.556 nan 0.000 0.301 176 H C 2.167 177.495 175.328 -0.001 0.000 1.081 176 H CA 3.402 59.457 56.048 0.012 0.000 1.334 176 H CB -0.110 29.647 29.762 -0.007 0.000 1.385 176 H HN -0.145 8.243 8.280 0.180 0.000 0.504 177 L N -1.429 119.682 121.223 -0.187 0.000 2.093 177 L HA -0.397 nan 4.340 nan 0.000 0.208 177 L C 2.222 178.980 176.870 -0.187 0.000 1.085 177 L CA 2.906 57.569 54.840 -0.295 0.000 0.755 177 L CB -0.366 41.533 42.059 -0.266 0.000 0.904 177 L HN 0.144 8.345 8.230 -0.047 0.000 0.435 178 K N -0.700 119.647 120.400 -0.088 0.000 2.057 178 K HA -0.356 nan 4.320 nan 0.000 0.206 178 K C 2.251 178.822 176.600 -0.048 0.000 1.050 178 K CA 3.568 59.820 56.287 -0.059 0.000 0.935 178 K CB -0.118 32.372 32.500 -0.017 0.000 0.715 178 K HN 0.268 8.486 8.250 -0.052 0.000 0.439 179 Y N 0.730 120.961 120.300 -0.115 0.000 2.128 179 Y HA -0.410 nan 4.550 nan 0.000 0.284 179 Y C 1.930 177.752 175.900 -0.130 0.000 1.154 179 Y CA 3.618 61.660 58.100 -0.097 0.000 1.149 179 Y CB -0.086 38.329 38.460 -0.075 0.000 0.976 179 Y HN -0.553 7.793 8.280 0.109 0.000 0.505 180 L N -3.527 117.530 121.223 -0.277 0.000 2.046 180 L HA -0.492 nan 4.340 nan 0.000 0.208 180 L C 2.444 179.127 176.870 -0.311 0.000 1.077 180 L CA 2.964 57.590 54.840 -0.357 0.000 0.747 180 L CB -0.175 41.692 42.059 -0.321 0.000 0.896 180 L HN -0.477 7.656 8.230 -0.162 0.000 0.432 181 T N -3.866 110.554 114.554 -0.223 0.000 2.951 181 T HA -0.296 nan 4.350 nan 0.000 0.268 181 T C 2.053 176.692 174.700 -0.102 0.000 1.073 181 T CA 3.518 65.537 62.100 -0.135 0.000 1.134 181 T CB -0.692 68.111 68.868 -0.109 0.000 0.884 181 T HN -0.223 7.887 8.240 -0.216 0.000 0.479 182 D N 2.011 122.317 120.400 -0.156 0.000 2.144 182 D HA -0.181 nan 4.640 nan 0.000 0.199 182 D C 2.155 178.369 176.300 -0.143 0.000 0.984 182 D CA 3.342 57.269 54.000 -0.122 0.000 0.834 182 D CB -0.627 40.091 40.800 -0.136 0.000 0.955 182 D HN 0.183 8.327 8.370 -0.196 0.109 0.465 183 Q N -2.940 116.689 119.800 -0.286 0.000 2.364 183 Q HA -0.154 nan 4.340 nan 0.000 0.207 183 Q C 1.359 177.306 176.000 -0.089 0.000 0.970 183 Q CA 1.374 57.028 55.803 -0.249 0.000 0.888 183 Q CB -0.387 28.117 28.738 -0.390 0.000 0.951 183 Q HN -0.333 7.597 8.270 -0.412 0.092 0.469 184 M N -3.889 115.694 119.600 -0.027 0.000 2.510 184 M HA 0.081 nan 4.480 nan 0.000 0.256 184 M C 0.756 177.305 176.300 0.416 0.000 1.132 184 M CA 1.598 57.029 55.300 0.219 0.000 1.105 184 M CB 1.085 33.766 32.600 0.136 0.000 1.375 184 M HN -0.637 7.435 8.290 -0.081 0.169 0.477 185 T N -4.585 110.105 114.554 0.226 0.000 3.026 185 T HA 0.181 nan 4.350 nan 0.000 0.245 185 T C 0.188 175.015 174.700 0.212 0.000 1.004 185 T CA 0.567 62.790 62.100 0.205 0.000 1.069 185 T CB 2.137 71.095 68.868 0.151 0.000 1.005 185 T HN -0.557 7.607 8.240 0.120 0.148 0.472 186 R N 0.626 121.208 120.500 0.138 0.000 2.644 186 R HA 0.535 nan 4.340 nan 0.000 0.271 186 R C -2.949 173.362 176.300 0.018 0.000 1.687 186 R CA -2.549 53.633 56.100 0.138 0.000 1.655 186 R CB 0.735 31.109 30.300 0.122 0.000 1.285 186 R HN 0.231 8.445 8.270 0.081 0.105 0.643 187 P HA -0.146 nan 4.420 nan 0.000 0.262 187 P C -0.863 176.378 177.300 -0.099 0.000 1.182 187 P CA 0.639 63.661 63.100 -0.129 0.000 0.761 187 P CB 0.456 32.012 31.700 -0.239 0.000 0.795 188 D N 3.855 124.215 120.400 -0.066 0.000 2.369 188 D HA -0.075 nan 4.640 nan 0.000 0.211 188 D C 1.168 177.458 176.300 -0.017 0.000 1.077 188 D CA -0.408 53.579 54.000 -0.021 0.000 0.842 188 D CB 0.350 41.163 40.800 0.021 0.000 0.947 188 D HN 0.269 8.935 8.370 -0.084 -0.346 0.509 189 G N 0.361 109.138 108.800 -0.039 0.000 2.232 189 G HA2 -0.370 nan 3.960 nan 0.000 0.226 189 G HA3 -0.370 nan 3.960 nan 0.000 0.226 189 G C 0.909 175.808 174.900 -0.000 0.000 0.996 189 G CA -0.046 45.038 45.100 -0.026 0.000 0.626 189 G HN 0.075 8.272 8.290 -0.063 0.056 0.509 190 S N 1.453 117.169 115.700 0.026 0.000 2.399 190 S HA -0.234 nan 4.470 nan 0.000 0.231 190 S C 0.586 175.215 174.600 0.048 0.000 1.022 190 S CA 1.794 60.031 58.200 0.063 0.000 0.983 190 S CB 0.535 63.825 63.200 0.150 0.000 0.803 190 S HN -0.114 8.460 8.310 0.028 -0.247 0.480 191 M N -0.335 119.271 119.600 0.010 0.000 2.550 191 M HA 0.207 nan 4.480 nan 0.000 0.292 191 M C -1.131 175.152 176.300 -0.028 0.000 1.221 191 M CA -0.728 54.567 55.300 -0.008 0.000 0.873 191 M CB 4.064 36.645 32.600 -0.030 0.000 1.727 191 M HN -0.659 7.603 8.290 -0.015 0.019 0.459 192 T N -1.968 112.579 114.554 -0.011 0.000 2.874 192 T HA 0.347 nan 4.350 nan 0.000 0.281 192 T C 0.674 175.392 174.700 0.031 0.000 0.994 192 T CA -1.452 60.660 62.100 0.020 0.000 1.015 192 T CB 1.851 70.740 68.868 0.035 0.000 1.028 192 T HN 0.119 8.647 8.240 -0.008 -0.293 0.523 193 F N 2.072 122.000 119.950 -0.036 0.000 2.069 193 F HA -0.374 nan 4.527 nan 0.000 0.298 193 F C 1.260 177.009 175.800 -0.086 0.000 1.113 193 F CA 3.098 61.075 58.000 -0.038 0.000 1.214 193 F CB -0.347 38.663 39.000 0.016 0.000 0.978 193 F HN 0.265 8.702 8.300 0.228 0.000 0.474 194 A N -2.734 120.180 122.820 0.158 0.000 1.917 194 A HA -0.361 nan 4.320 nan 0.000 0.219 194 A C 2.290 179.817 177.584 -0.095 0.000 1.182 194 A CA 3.200 55.256 52.037 0.031 0.000 0.633 194 A CB -1.316 17.723 19.000 0.065 0.000 0.819 194 A HN 0.283 8.578 8.150 0.243 0.000 0.448 195 E N -1.356 118.799 120.200 -0.073 0.000 2.072 195 E HA -0.366 nan 4.350 nan 0.000 0.191 195 E C 2.365 178.883 176.600 -0.136 0.000 0.985 195 E CA 2.851 59.208 56.400 -0.072 0.000 0.801 195 E CB -0.099 29.584 29.700 -0.028 0.000 0.750 195 E HN -0.529 7.721 8.360 -0.034 0.089 0.452 196 A N -0.588 122.097 122.820 -0.225 0.000 1.933 196 A HA -0.261 nan 4.320 nan 0.000 0.218 196 A C 1.703 179.057 177.584 -0.383 0.000 1.175 196 A CA 3.201 55.061 52.037 -0.295 0.000 0.628 196 A CB -0.763 18.007 19.000 -0.383 0.000 0.814 196 A HN -0.091 7.926 8.150 -0.222 0.000 0.444 197 K N -1.340 118.728 120.400 -0.554 0.000 2.026 197 K HA -0.338 nan 4.320 nan 0.000 0.208 197 K C 2.249 178.518 176.600 -0.551 0.000 1.048 197 K CA 3.407 59.283 56.287 -0.684 0.000 0.929 197 K CB -0.045 31.998 32.500 -0.761 0.000 0.713 197 K HN 0.044 7.932 8.250 -0.586 0.011 0.439 198 E N -1.553 118.477 120.200 -0.282 0.000 2.110 198 E HA -0.292 nan 4.350 nan 0.000 0.193 198 E C 2.399 179.008 176.600 0.015 0.000 0.988 198 E CA 2.656 59.010 56.400 -0.076 0.000 0.804 198 E CB -0.504 29.189 29.700 -0.012 0.000 0.745 198 E HN -0.220 7.989 8.360 -0.252 0.000 0.458 199 A N -0.481 122.330 122.820 -0.014 0.000 1.898 199 A HA -0.205 nan 4.320 nan 0.000 0.216 199 A C 2.309 179.969 177.584 0.126 0.000 1.181 199 A CA 2.916 55.000 52.037 0.078 0.000 0.620 199 A CB -0.625 18.418 19.000 0.071 0.000 0.819 199 A HN -0.290 7.814 8.150 -0.077 0.000 0.442 200 L N -1.157 120.073 121.223 0.010 0.000 2.017 200 L HA -0.341 nan 4.340 nan 0.000 0.208 200 L C 1.832 178.888 176.870 0.311 0.000 1.073 200 L CA 3.058 57.938 54.840 0.066 0.000 0.745 200 L CB -0.389 41.620 42.059 -0.084 0.000 0.894 200 L HN -0.351 7.813 8.230 -0.110 0.000 0.432 201 Y N -2.284 118.075 120.300 0.099 0.000 2.274 201 Y HA -0.382 nan 4.550 nan 0.000 0.290 201 Y C 2.635 178.599 175.900 0.107 0.000 1.145 201 Y CA 0.870 59.030 58.100 0.100 0.000 1.203 201 Y CB -1.423 37.077 38.460 0.066 0.000 0.984 201 Y HN 0.290 8.625 8.280 0.091 0.000 0.533 202 D N -0.960 119.607 120.400 0.279 0.000 2.178 202 D HA -0.303 nan 4.640 nan 0.000 0.202 202 D C 1.256 177.673 176.300 0.194 0.000 0.974 202 D CA 2.781 56.895 54.000 0.190 0.000 0.841 202 D CB -0.297 40.598 40.800 0.159 0.000 0.953 202 D HN -0.076 8.365 8.370 0.264 0.088 0.478 203 Y N -0.713 119.672 120.300 0.143 0.000 2.184 203 Y HA -0.241 nan 4.550 nan 0.000 0.290 203 Y C 0.905 176.865 175.900 0.101 0.000 1.129 203 Y CA 2.966 61.145 58.100 0.131 0.000 1.144 203 Y CB 1.005 39.574 38.460 0.181 0.000 0.995 203 Y HN -0.754 7.641 8.280 0.399 0.125 0.513 204 L N -1.556 119.834 121.223 0.277 0.000 2.027 204 L HA -0.464 nan 4.340 nan 0.000 0.206 204 L C 1.970 178.841 176.870 0.001 0.000 1.074 204 L CA 3.034 57.958 54.840 0.140 0.000 0.745 204 L CB -0.159 42.029 42.059 0.216 0.000 0.898 204 L HN -0.283 8.199 8.230 0.419 0.000 0.433 205 I N -1.535 119.044 120.570 0.014 0.000 2.091 205 I HA -0.461 nan 4.170 nan 0.000 0.240 205 I C -0.823 175.268 176.117 -0.044 0.000 1.046 205 I CA 6.177 67.464 61.300 -0.022 0.000 1.306 205 I CB -3.048 34.950 38.000 -0.002 0.000 1.018 205 I HN 0.356 8.608 8.210 0.071 0.000 0.404 206 P HA -0.180 nan 4.420 nan 0.000 0.217 206 P C 1.689 178.936 177.300 -0.087 0.000 1.150 206 P CA 3.087 66.145 63.100 -0.070 0.000 0.832 206 P CB -0.637 31.013 31.700 -0.082 0.000 0.787 207 I N -1.174 119.320 120.570 -0.127 0.000 2.226 207 I HA -0.411 nan 4.170 nan 0.000 0.245 207 I C 2.264 178.341 176.117 -0.068 0.000 1.100 207 I CA 3.652 64.880 61.300 -0.120 0.000 1.374 207 I CB -0.225 37.668 38.000 -0.177 0.000 1.057 207 I HN -0.951 7.152 8.210 -0.161 0.010 0.413 208 I N -0.705 119.833 120.570 -0.053 0.000 2.226 208 I HA -0.514 nan 4.170 nan 0.000 0.245 208 I C 2.069 178.166 176.117 -0.034 0.000 1.100 208 I CA 2.442 63.720 61.300 -0.036 0.000 1.374 208 I CB -1.705 36.275 38.000 -0.035 0.000 1.057 208 I HN 0.164 8.339 8.210 -0.058 0.000 0.413 209 E N 0.486 120.663 120.200 -0.038 0.000 2.033 209 E HA -0.506 nan 4.350 nan 0.000 0.199 209 E C 2.350 178.932 176.600 -0.031 0.000 1.011 209 E CA 4.058 60.439 56.400 -0.032 0.000 0.815 209 E CB -0.362 29.318 29.700 -0.032 0.000 0.755 209 E HN -0.193 8.141 8.360 -0.043 0.000 0.451 210 Q N -1.551 118.227 119.800 -0.038 0.000 2.096 210 Q HA -0.338 nan 4.340 nan 0.000 0.204 210 Q C 2.912 178.893 176.000 -0.031 0.000 0.982 210 Q CA 3.142 58.924 55.803 -0.035 0.000 0.850 210 Q CB -0.074 28.638 28.738 -0.043 0.000 0.901 210 Q HN -0.256 7.987 8.270 -0.045 0.000 0.422 211 R N -2.688 117.793 120.500 -0.032 0.000 2.236 211 R HA -0.144 nan 4.340 nan 0.000 0.208 211 R C 2.195 178.482 176.300 -0.023 0.000 1.036 211 R CA 2.268 58.352 56.100 -0.028 0.000 1.001 211 R CB -0.369 29.913 30.300 -0.029 0.000 0.896 211 R HN -0.342 7.906 8.270 -0.037 0.000 0.464 212 R N -2.260 118.227 120.500 -0.022 0.000 2.161 212 R HA -0.102 nan 4.340 nan 0.000 0.213 212 R C 1.527 177.817 176.300 -0.017 0.000 1.055 212 R CA 2.278 58.367 56.100 -0.017 0.000 0.996 212 R CB 0.012 30.302 30.300 -0.016 0.000 0.901 212 R HN -0.292 7.825 8.270 -0.024 0.139 0.456 213 Q N -1.170 118.619 119.800 -0.018 0.000 2.033 213 Q HA -0.098 nan 4.340 nan 0.000 0.196 213 Q C 0.739 176.729 176.000 -0.017 0.000 0.970 213 Q CA 2.309 58.102 55.803 -0.017 0.000 0.828 213 Q CB 1.112 29.839 28.738 -0.018 0.000 0.895 213 Q HN -0.558 7.586 8.270 -0.021 0.114 0.440 214 K N -1.129 119.259 120.400 -0.019 0.000 2.499 214 K HA 0.411 nan 4.320 nan 0.000 0.215 214 K C -2.428 174.160 176.600 -0.020 0.000 1.041 214 K CA -2.191 54.085 56.287 -0.019 0.000 1.031 214 K CB 0.177 32.665 32.500 -0.019 0.000 1.479 214 K HN -0.212 7.919 8.250 -0.021 0.107 0.518 215 P HA -0.101 nan 4.420 nan 0.000 0.266 215 P C -1.425 175.862 177.300 -0.021 0.000 1.195 215 P CA 0.048 63.137 63.100 -0.020 0.000 0.768 215 P CB 0.344 32.034 31.700 -0.018 0.000 0.838 216 G N 0.945 109.732 108.800 -0.023 0.000 3.107 216 G HA2 0.054 nan 3.960 nan 0.000 0.232 216 G HA3 0.054 nan 3.960 nan 0.000 0.232 216 G C -0.954 173.931 174.900 -0.026 0.000 1.339 216 G CA -0.406 44.679 45.100 -0.025 0.000 1.033 216 G HN -0.399 7.877 8.290 -0.024 0.000 0.567 217 T N -4.766 109.770 114.554 -0.029 0.000 3.054 217 T HA 0.195 nan 4.350 nan 0.000 0.255 217 T C -0.283 174.393 174.700 -0.039 0.000 1.035 217 T CA -0.359 61.723 62.100 -0.030 0.000 0.941 217 T CB 0.105 68.956 68.868 -0.028 0.000 1.026 217 T HN -0.101 8.122 8.240 -0.030 0.000 0.533 218 D N 1.086 121.458 120.400 -0.046 0.000 2.371 218 D HA -0.050 nan 4.640 nan 0.000 0.242 218 D C 0.716 176.979 176.300 -0.061 0.000 1.218 218 D CA -0.531 53.430 54.000 -0.065 0.000 0.945 218 D CB 1.298 42.055 40.800 -0.072 0.000 1.137 218 D HN -0.715 7.577 8.370 -0.042 0.053 0.464 219 A N -0.397 122.372 122.820 -0.084 0.000 1.908 219 A HA -0.301 nan 4.320 nan 0.000 0.218 219 A C 2.289 179.850 177.584 -0.038 0.000 1.181 219 A CA 2.980 54.979 52.037 -0.064 0.000 0.627 219 A CB -0.158 18.786 19.000 -0.094 0.000 0.818 219 A HN 0.436 8.515 8.150 -0.118 0.000 0.445 220 I N -2.194 118.350 120.570 -0.044 0.000 2.226 220 I HA -0.535 nan 4.170 nan 0.000 0.245 220 I C 1.958 178.065 176.117 -0.016 0.000 1.100 220 I CA 3.645 64.935 61.300 -0.017 0.000 1.374 220 I CB -0.349 37.644 38.000 -0.012 0.000 1.057 220 I HN -0.389 7.854 8.210 -0.070 -0.075 0.413 221 S N 0.815 116.500 115.700 -0.025 0.000 2.356 221 S HA -0.301 nan 4.470 nan 0.000 0.223 221 S C 2.319 176.909 174.600 -0.016 0.000 1.032 221 S CA 4.038 62.225 58.200 -0.022 0.000 1.005 221 S CB -0.356 62.829 63.200 -0.026 0.000 0.867 221 S HN -0.319 8.273 8.310 -0.033 -0.301 0.449 222 I N 0.989 121.548 120.570 -0.018 0.000 2.208 222 I HA -0.442 nan 4.170 nan 0.000 0.245 222 I C 1.902 178.016 176.117 -0.004 0.000 1.097 222 I CA 3.915 65.207 61.300 -0.013 0.000 1.363 222 I CB -0.064 37.927 38.000 -0.016 0.000 1.051 222 I HN -0.134 8.062 8.210 -0.024 0.000 0.413 223 V N -0.517 119.399 119.914 0.003 0.000 2.270 223 V HA -0.326 nan 4.120 nan 0.000 0.245 223 V C 1.903 178.007 176.094 0.017 0.000 1.043 223 V CA 4.044 66.355 62.300 0.018 0.000 1.014 223 V CB -0.433 31.407 31.823 0.028 0.000 0.645 223 V HN -0.125 8.064 8.190 -0.002 0.000 0.447 224 A N -0.901 121.923 122.820 0.007 0.000 2.024 224 A HA -0.353 nan 4.320 nan 0.000 0.220 224 A C 1.333 178.917 177.584 0.000 0.000 1.164 224 A CA 3.155 55.193 52.037 0.002 0.000 0.643 224 A CB -0.316 18.680 19.000 -0.007 0.000 0.806 224 A HN 0.474 8.625 8.150 0.002 0.000 0.451 225 N N -4.577 114.121 118.700 -0.004 0.000 2.214 225 N HA 0.106 nan 4.740 nan 0.000 0.214 225 N C -0.030 175.474 175.510 -0.009 0.000 1.132 225 N CA -0.425 52.620 53.050 -0.008 0.000 0.856 225 N CB 1.065 39.545 38.487 -0.012 0.000 1.020 225 N HN -0.074 8.275 8.380 -0.005 0.029 0.509 226 G N 0.225 109.022 108.800 -0.005 0.000 2.653 226 G HA2 -0.060 nan 3.960 nan 0.000 0.265 226 G HA3 -0.060 nan 3.960 nan 0.000 0.265 226 G C -2.375 172.511 174.900 -0.024 0.000 1.237 226 G CA 0.155 45.247 45.100 -0.013 0.000 0.946 226 G HN -0.465 7.638 8.290 0.003 0.189 0.522 227 Q N -1.414 118.360 119.800 -0.043 0.000 2.340 227 Q HA 0.586 nan 4.340 nan 0.000 0.268 227 Q C -0.888 175.045 176.000 -0.112 0.000 1.031 227 Q CA -1.030 54.736 55.803 -0.062 0.000 0.804 227 Q CB 2.700 31.406 28.738 -0.054 0.000 1.286 227 Q HN 0.003 8.246 8.270 -0.045 0.000 0.448 228 V N 1.408 121.230 119.914 -0.152 0.000 2.409 228 V HA 0.339 nan 4.120 nan 0.000 0.290 228 V C -0.996 174.957 176.094 -0.236 0.000 1.017 228 V CA -2.259 59.863 62.300 -0.296 0.000 0.841 228 V CB 0.002 31.498 31.823 -0.545 0.000 1.003 228 V HN 0.707 8.831 8.190 -0.111 0.000 0.426 229 N N 7.574 126.152 118.700 -0.203 0.000 2.727 229 N HA -0.348 nan 4.740 nan 0.000 0.251 229 N C 0.526 175.985 175.510 -0.086 0.000 1.040 229 N CA 0.753 53.722 53.050 -0.134 0.000 0.712 229 N CB -0.542 37.865 38.487 -0.132 0.000 0.912 229 N HN 0.450 8.927 8.380 -0.213 -0.225 0.545 230 G N -6.367 102.388 108.800 -0.075 0.000 2.396 230 G HA2 -0.411 nan 3.960 nan 0.000 0.242 230 G HA3 -0.411 nan 3.960 nan 0.000 0.242 230 G C -0.864 174.010 174.900 -0.043 0.000 1.069 230 G CA 0.477 45.547 45.100 -0.051 0.000 0.633 230 G HN 0.668 8.907 8.290 -0.085 0.000 0.517 231 R N -0.295 120.177 120.500 -0.046 0.000 2.758 231 R HA 0.518 nan 4.340 nan 0.000 0.265 231 R C -2.963 173.317 176.300 -0.034 0.000 1.016 231 R CA -3.560 52.520 56.100 -0.032 0.000 1.040 231 R CB -0.453 29.835 30.300 -0.020 0.000 1.152 231 R HN -0.657 7.479 8.270 -0.059 0.099 0.503 232 P HA 0.049 nan 4.420 nan 0.000 0.271 232 P C -1.159 176.141 177.300 -0.000 0.000 1.218 232 P CA -0.075 63.017 63.100 -0.014 0.000 0.780 232 P CB 0.506 32.201 31.700 -0.008 0.000 0.901 233 I N 2.256 122.830 120.570 0.008 0.000 2.696 233 I HA -0.071 nan 4.170 nan 0.000 0.284 233 I C -0.369 175.775 176.117 0.045 0.000 1.129 233 I CA -0.257 61.071 61.300 0.048 0.000 1.410 233 I CB 1.884 39.922 38.000 0.063 0.000 1.399 233 I HN 0.009 8.219 8.210 -0.001 0.000 0.579 234 T N 4.230 118.822 114.554 0.063 0.000 2.816 234 T HA 0.268 nan 4.350 nan 0.000 0.282 234 T C 1.440 176.150 174.700 0.016 0.000 0.993 234 T CA -0.930 61.190 62.100 0.034 0.000 0.994 234 T CB 1.103 69.992 68.868 0.036 0.000 1.025 234 T HN 0.151 8.776 8.240 0.101 -0.324 0.529 235 S N 0.766 116.464 115.700 -0.004 0.000 2.382 235 S HA -0.366 nan 4.470 nan 0.000 0.228 235 S C 1.897 176.466 174.600 -0.051 0.000 1.027 235 S CA 3.271 61.457 58.200 -0.024 0.000 0.991 235 S CB -0.138 63.045 63.200 -0.028 0.000 0.823 235 S HN 0.420 8.729 8.310 -0.003 0.000 0.469 236 D N 1.442 121.813 120.400 -0.049 0.000 2.084 236 D HA -0.204 nan 4.640 nan 0.000 0.194 236 D C 1.893 178.142 176.300 -0.086 0.000 0.990 236 D CA 3.052 57.001 54.000 -0.084 0.000 0.826 236 D CB -0.045 40.724 40.800 -0.052 0.000 0.971 236 D HN 0.002 8.344 8.370 -0.027 0.012 0.453 237 E N -0.243 119.942 120.200 -0.026 0.000 2.085 237 E HA -0.399 nan 4.350 nan 0.000 0.194 237 E C 2.398 179.001 176.600 0.006 0.000 0.994 237 E CA 2.841 59.238 56.400 -0.005 0.000 0.801 237 E CB -0.118 29.655 29.700 0.122 0.000 0.743 237 E HN -0.346 8.014 8.360 0.001 0.000 0.453 238 A N -0.790 122.036 122.820 0.010 0.000 1.877 238 A HA -0.287 nan 4.320 nan 0.000 0.216 238 A C 1.581 179.144 177.584 -0.036 0.000 1.186 238 A CA 3.272 55.313 52.037 0.007 0.000 0.620 238 A CB -0.817 18.184 19.000 0.000 0.000 0.822 238 A HN 0.122 8.278 8.150 0.010 0.000 0.443 239 K N -1.338 118.999 120.400 -0.104 0.000 2.063 239 K HA -0.370 nan 4.320 nan 0.000 0.208 239 K C 2.465 178.938 176.600 -0.210 0.000 1.048 239 K CA 3.315 59.474 56.287 -0.213 0.000 0.928 239 K CB -0.147 32.117 32.500 -0.393 0.000 0.713 239 K HN -0.205 7.908 8.250 -0.104 0.074 0.442 240 R N -2.137 118.274 120.500 -0.148 0.000 2.092 240 R HA -0.281 nan 4.340 nan 0.000 0.231 240 R C 2.927 179.268 176.300 0.069 0.000 1.119 240 R CA 3.142 59.284 56.100 0.070 0.000 0.970 240 R CB -0.131 30.200 30.300 0.052 0.000 0.864 240 R HN -0.025 8.151 8.270 -0.156 0.000 0.440 241 M N -0.050 119.552 119.600 0.003 0.000 2.123 241 M HA -0.276 nan 4.480 nan 0.000 0.263 241 M C 2.070 178.342 176.300 -0.047 0.000 1.069 241 M CA 4.176 59.474 55.300 -0.003 0.000 1.133 241 M CB 0.198 32.828 32.600 0.048 0.000 1.356 241 M HN -0.256 8.030 8.290 -0.006 0.000 0.415 242 C N -1.424 117.866 119.300 -0.017 0.000 2.425 242 C HA -0.319 nan 4.460 nan 0.000 0.277 242 C C 2.188 177.149 174.990 -0.048 0.000 1.280 242 C CA 4.601 63.624 59.018 0.009 0.000 1.744 242 C CB -1.625 26.143 27.740 0.047 0.000 1.989 242 C HN 0.456 8.682 8.230 -0.007 0.000 0.491 243 G N -0.326 108.425 108.800 -0.081 0.000 2.446 243 G HA2 -0.313 nan 3.960 nan 0.000 0.217 243 G HA3 -0.313 nan 3.960 nan 0.000 0.217 243 G C 0.628 174.998 174.900 -0.883 0.000 1.168 243 G CA 2.165 47.127 45.100 -0.229 0.000 0.771 243 G HN 0.173 8.452 8.290 -0.003 0.009 0.551 244 L N 1.701 122.249 121.223 -1.126 0.000 2.046 244 L HA -0.223 nan 4.340 nan 0.000 0.208 244 L C 1.566 178.207 176.870 -0.383 0.000 1.077 244 L CA 2.343 56.632 54.840 -0.919 0.000 0.747 244 L CB -0.155 41.630 42.059 -0.458 0.000 0.896 244 L HN -0.772 6.974 8.230 -0.806 0.000 0.432 245 L N -1.875 119.222 121.223 -0.209 0.000 2.083 245 L HA -0.429 nan 4.340 nan 0.000 0.209 245 L C 2.417 179.129 176.870 -0.263 0.000 1.083 245 L CA 3.223 58.026 54.840 -0.062 0.000 0.752 245 L CB -0.797 41.359 42.059 0.163 0.000 0.899 245 L HN -0.341 7.698 8.230 -0.197 0.073 0.433 246 L N -1.653 119.441 121.223 -0.214 0.000 2.046 246 L HA -0.337 nan 4.340 nan 0.000 0.208 246 L C 2.485 179.103 176.870 -0.418 0.000 1.077 246 L CA 3.439 58.081 54.840 -0.330 0.000 0.747 246 L CB -1.519 40.470 42.059 -0.116 0.000 0.896 246 L HN -0.284 7.851 8.230 -0.141 0.009 0.432 247 V N -1.493 118.243 119.914 -0.297 0.000 2.295 247 V HA -0.391 nan 4.120 nan 0.000 0.246 247 V C 2.064 178.050 176.094 -0.179 0.000 1.049 247 V CA 4.765 66.964 62.300 -0.170 0.000 1.024 247 V CB -0.998 30.810 31.823 -0.024 0.000 0.648 247 V HN -0.367 7.627 8.190 -0.327 0.000 0.447 248 G N -1.411 107.268 108.800 -0.201 0.000 2.418 248 G HA2 -0.340 nan 3.960 nan 0.000 0.217 248 G HA3 -0.340 nan 3.960 nan 0.000 0.217 248 G C 1.139 175.873 174.900 -0.278 0.000 1.158 248 G CA 2.288 47.294 45.100 -0.156 0.000 0.771 248 G HN 0.217 8.375 8.290 -0.220 0.000 0.545 249 G N 0.994 109.416 108.800 -0.630 0.000 2.408 249 G HA2 -0.104 nan 3.960 nan 0.000 0.217 249 G HA3 -0.104 nan 3.960 nan 0.000 0.217 249 G C 1.095 175.694 174.900 -0.502 0.000 1.150 249 G CA 1.399 45.969 45.100 -0.883 0.000 0.776 249 G HN 0.198 7.923 8.290 -0.760 0.109 0.542 250 L N -2.329 118.637 121.223 -0.428 0.000 2.513 250 L HA 0.078 nan 4.340 nan 0.000 0.222 250 L C -0.324 176.473 176.870 -0.121 0.000 1.096 250 L CA 0.586 55.295 54.840 -0.218 0.000 0.857 250 L CB 0.339 42.283 42.059 -0.192 0.000 1.026 250 L HN -0.295 7.634 8.230 -0.501 0.000 0.469 251 N N -3.309 115.329 118.700 -0.103 0.000 2.571 251 N HA 0.231 nan 4.740 nan 0.000 0.298 251 N C -0.596 174.920 175.510 0.011 0.000 1.671 251 N CA -0.087 52.945 53.050 -0.030 0.000 0.900 251 N CB 1.606 40.088 38.487 -0.007 0.000 1.365 251 N HN -0.040 8.254 8.380 -0.144 0.000 0.493 252 T N -6.633 107.930 114.554 0.014 0.000 3.451 252 T HA 0.298 nan 4.350 nan 0.000 0.201 252 T C 0.683 175.454 174.700 0.118 0.000 0.965 252 T CA 0.941 63.077 62.100 0.060 0.000 1.088 252 T CB 0.715 69.612 68.868 0.047 0.000 1.251 252 T HN -0.502 7.729 8.240 -0.014 0.000 0.325 253 V N 2.797 122.779 119.914 0.114 0.000 2.469 253 V HA -0.291 nan 4.120 nan 0.000 0.251 253 V C 1.580 177.787 176.094 0.189 0.000 1.064 253 V CA 4.486 66.903 62.300 0.195 0.000 1.066 253 V CB -0.831 31.078 31.823 0.143 0.000 0.667 253 V HN 0.537 8.767 8.190 0.067 0.000 0.461 254 V N -1.185 118.783 119.914 0.090 0.000 2.282 254 V HA -0.470 nan 4.120 nan 0.000 0.249 254 V C 1.971 178.091 176.094 0.043 0.000 1.057 254 V CA 3.966 66.295 62.300 0.049 0.000 1.032 254 V CB -0.653 31.167 31.823 -0.004 0.000 0.645 254 V HN 0.138 8.337 8.190 0.052 0.022 0.447 255 N N -0.946 117.785 118.700 0.051 0.000 2.173 255 N HA -0.163 nan 4.740 nan 0.000 0.184 255 N C 2.033 177.532 175.510 -0.020 0.000 1.025 255 N CA 2.525 55.560 53.050 -0.023 0.000 0.852 255 N CB -0.029 38.488 38.487 0.050 0.000 0.998 255 N HN -0.561 7.761 8.380 0.080 0.106 0.427 256 F N 2.547 122.548 119.950 0.085 0.000 2.126 256 F HA -0.353 nan 4.527 nan 0.000 0.299 256 F C 1.270 177.138 175.800 0.112 0.000 1.096 256 F CA 3.432 61.542 58.000 0.183 0.000 1.255 256 F CB 0.202 39.277 39.000 0.124 0.000 0.997 256 F HN -0.035 8.466 8.300 0.335 0.000 0.479 257 L N -3.412 117.822 121.223 0.018 0.000 2.081 257 L HA -0.569 nan 4.340 nan 0.000 0.212 257 L C 2.092 178.890 176.870 -0.120 0.000 1.080 257 L CA 3.362 58.211 54.840 0.015 0.000 0.754 257 L CB -0.813 41.452 42.059 0.344 0.000 0.893 257 L HN 0.398 8.757 8.230 0.215 0.000 0.433 258 S N -0.260 115.359 115.700 -0.134 0.000 2.383 258 S HA -0.269 nan 4.470 nan 0.000 0.227 258 S C 2.020 176.310 174.600 -0.517 0.000 1.026 258 S CA 3.296 61.334 58.200 -0.269 0.000 0.981 258 S CB -0.417 62.633 63.200 -0.249 0.000 0.818 258 S HN -0.521 7.706 8.310 -0.114 0.014 0.472 259 F N 1.088 120.742 119.950 -0.492 0.000 2.134 259 F HA -0.257 nan 4.527 nan 0.000 0.299 259 F C 1.862 177.067 175.800 -0.991 0.000 1.097 259 F CA 3.293 60.867 58.000 -0.709 0.000 1.264 259 F CB -0.410 38.195 39.000 -0.659 0.000 1.001 259 F HN -0.902 6.993 8.300 -0.676 0.000 0.479 260 S N 0.155 115.405 115.700 -0.749 0.000 2.356 260 S HA -0.339 nan 4.470 nan 0.000 0.223 260 S C 1.815 176.175 174.600 -0.400 0.000 1.032 260 S CA 4.027 61.873 58.200 -0.590 0.000 1.005 260 S CB -0.245 62.648 63.200 -0.511 0.000 0.867 260 S HN -0.235 7.602 8.310 -0.789 0.000 0.449 261 M N 1.439 120.709 119.600 -0.550 0.000 2.296 261 M HA -0.235 nan 4.480 nan 0.000 0.265 261 M C 1.292 177.346 176.300 -0.409 0.000 1.064 261 M CA 1.836 56.741 55.300 -0.658 0.000 1.109 261 M CB -0.205 31.483 32.600 -1.520 0.000 1.396 261 M HN 0.106 8.030 8.290 -0.609 0.000 0.430 262 E N 0.623 120.604 120.200 -0.366 0.000 2.072 262 E HA -0.365 nan 4.350 nan 0.000 0.191 262 E C 2.242 178.767 176.600 -0.124 0.000 0.985 262 E CA 3.151 59.438 56.400 -0.189 0.000 0.801 262 E CB -0.109 29.522 29.700 -0.114 0.000 0.750 262 E HN -0.225 7.853 8.360 -0.441 0.017 0.452 263 F N 0.524 120.287 119.950 -0.312 0.000 2.102 263 F HA -0.332 nan 4.527 nan 0.000 0.298 263 F C 1.518 177.235 175.800 -0.139 0.000 1.105 263 F CA 3.046 60.926 58.000 -0.200 0.000 1.239 263 F CB 0.233 39.090 39.000 -0.239 0.000 0.991 263 F HN -0.599 7.566 8.300 -0.225 0.000 0.474 264 L N -2.179 118.900 121.223 -0.239 0.000 2.083 264 L HA -0.511 nan 4.340 nan 0.000 0.209 264 L C 2.244 178.822 176.870 -0.486 0.000 1.083 264 L CA 2.922 57.587 54.840 -0.293 0.000 0.752 264 L CB -0.698 41.356 42.059 -0.008 0.000 0.899 264 L HN 0.045 8.233 8.230 -0.070 0.000 0.433 265 A N -2.425 120.180 122.820 -0.360 0.000 2.024 265 A HA -0.274 nan 4.320 nan 0.000 0.220 265 A C 1.505 178.872 177.584 -0.361 0.000 1.164 265 A CA 3.026 54.806 52.037 -0.428 0.000 0.643 265 A CB -0.678 18.308 19.000 -0.023 0.000 0.806 265 A HN 0.140 8.184 8.150 -0.165 0.006 0.451 266 K N -5.897 114.307 120.400 -0.328 0.000 2.358 266 K HA 0.061 nan 4.320 nan 0.000 0.197 266 K C -0.452 175.954 176.600 -0.325 0.000 1.025 266 K CA -0.315 55.816 56.287 -0.260 0.000 1.104 266 K CB 0.633 33.032 32.500 -0.169 0.000 0.855 266 K HN -0.546 7.342 8.250 -0.358 0.147 0.531 267 S N 1.042 116.469 115.700 -0.455 0.000 2.130 267 S HA 0.528 nan 4.470 nan 0.000 0.165 267 S C -2.122 172.348 174.600 -0.216 0.000 1.677 267 S CA -2.380 55.604 58.200 -0.360 0.000 1.227 267 S CB -0.109 62.696 63.200 -0.658 0.000 1.115 267 S HN -0.436 7.369 8.310 -0.512 0.198 0.452 268 P HA -0.284 nan 4.420 nan 0.000 0.216 268 P C 0.685 177.936 177.300 -0.082 0.000 1.153 268 P CA 2.785 65.799 63.100 -0.143 0.000 0.858 268 P CB 0.145 31.777 31.700 -0.114 0.000 0.789 269 E N -3.285 116.866 120.200 -0.082 0.000 2.150 269 E HA -0.311 nan 4.350 nan 0.000 0.193 269 E C 2.612 179.145 176.600 -0.111 0.000 0.985 269 E CA 2.918 59.255 56.400 -0.105 0.000 0.814 269 E CB -1.525 28.082 29.700 -0.155 0.000 0.752 269 E HN 0.567 8.859 8.360 -0.086 0.016 0.466 270 H N 0.540 119.590 119.070 -0.033 0.000 2.403 270 H HA -0.114 nan 4.556 nan 0.000 0.298 270 H C 2.367 177.808 175.328 0.189 0.000 1.059 270 H CA 3.835 59.940 56.048 0.094 0.000 1.363 270 H CB 0.163 29.963 29.762 0.063 0.000 1.410 270 H HN -0.378 7.791 8.280 0.028 0.128 0.528 271 R N -0.563 120.035 120.500 0.164 0.000 2.070 271 R HA -0.432 nan 4.340 nan 0.000 0.232 271 R C 2.258 178.621 176.300 0.105 0.000 1.138 271 R CA 3.680 59.851 56.100 0.118 0.000 0.936 271 R CB -0.263 30.038 30.300 0.002 0.000 0.839 271 R HN -0.103 8.210 8.270 0.072 0.000 0.429 272 Q N -1.430 118.404 119.800 0.055 0.000 2.135 272 Q HA -0.307 nan 4.340 nan 0.000 0.204 272 Q C 1.917 177.956 176.000 0.065 0.000 0.981 272 Q CA 2.838 58.668 55.803 0.044 0.000 0.856 272 Q CB -0.693 28.053 28.738 0.013 0.000 0.902 272 Q HN -0.052 8.232 8.270 0.024 0.000 0.425 273 E N -0.560 119.695 120.200 0.092 0.000 2.085 273 E HA -0.278 nan 4.350 nan 0.000 0.194 273 E C 2.355 179.036 176.600 0.134 0.000 0.994 273 E CA 3.124 59.596 56.400 0.119 0.000 0.801 273 E CB -0.265 29.538 29.700 0.171 0.000 0.743 273 E HN -0.553 7.761 8.360 0.093 0.101 0.453 274 L N -2.823 118.493 121.223 0.154 0.000 2.240 274 L HA -0.220 nan 4.340 nan 0.000 0.211 274 L C 1.966 178.876 176.870 0.066 0.000 1.106 274 L CA 1.980 56.875 54.840 0.091 0.000 0.793 274 L CB 0.076 42.175 42.059 0.067 0.000 0.927 274 L HN -0.602 7.664 8.230 0.199 0.084 0.446 275 I N -2.136 118.476 120.570 0.071 0.000 2.202 275 I HA -0.411 nan 4.170 nan 0.000 0.242 275 I C 1.583 177.724 176.117 0.041 0.000 1.091 275 I CA 2.884 64.215 61.300 0.051 0.000 1.368 275 I CB 0.309 38.338 38.000 0.048 0.000 1.058 275 I HN -0.353 7.796 8.210 0.086 0.113 0.410 276 E N -1.292 118.934 120.200 0.043 0.000 2.072 276 E HA -0.191 nan 4.350 nan 0.000 0.190 276 E C 0.643 177.265 176.600 0.037 0.000 0.982 276 E CA 2.227 58.648 56.400 0.036 0.000 0.803 276 E CB 0.802 30.523 29.700 0.035 0.000 0.755 276 E HN -0.283 8.108 8.360 0.051 0.000 0.453 277 R N -1.996 118.532 120.500 0.046 0.000 2.860 277 R HA 0.503 nan 4.340 nan 0.000 0.282 277 R C -1.844 174.479 176.300 0.039 0.000 1.408 277 R CA -2.942 53.185 56.100 0.044 0.000 1.636 277 R CB -0.804 29.529 30.300 0.055 0.000 1.187 277 R HN -0.478 7.825 8.270 0.056 0.000 0.611 278 P HA -0.191 nan 4.420 nan 0.000 0.219 278 P C 0.537 177.849 177.300 0.019 0.000 1.146 278 P CA 2.427 65.542 63.100 0.024 0.000 0.808 278 P CB -0.198 31.517 31.700 0.025 0.000 0.779 279 E N -2.397 117.818 120.200 0.024 0.000 2.333 279 E HA -0.266 nan 4.350 nan 0.000 0.198 279 E C 1.108 177.720 176.600 0.021 0.000 1.007 279 E CA 2.327 58.741 56.400 0.024 0.000 0.845 279 E CB -1.737 27.980 29.700 0.027 0.000 0.766 279 E HN 0.645 8.990 8.360 0.027 0.031 0.507 280 R N -2.159 118.352 120.500 0.018 0.000 2.240 280 R HA -0.017 nan 4.340 nan 0.000 0.203 280 R C 1.828 178.094 176.300 -0.057 0.000 1.011 280 R CA 1.107 57.211 56.100 0.008 0.000 1.007 280 R CB 0.155 30.480 30.300 0.041 0.000 0.911 280 R HN -0.481 7.637 8.270 0.023 0.165 0.468 281 I N 1.002 121.539 120.570 -0.056 0.000 2.248 281 I HA -0.361 nan 4.170 nan 0.000 0.248 281 I C -1.054 175.026 176.117 -0.061 0.000 1.107 281 I CA 6.031 67.278 61.300 -0.088 0.000 1.373 281 I CB -2.474 35.508 38.000 -0.030 0.000 1.055 281 I HN -0.062 7.964 8.210 -0.023 0.171 0.418 282 P HA -0.163 nan 4.420 nan 0.000 0.217 282 P C 0.604 177.915 177.300 0.019 0.000 1.150 282 P CA 3.270 66.382 63.100 0.021 0.000 0.832 282 P CB -0.808 30.913 31.700 0.036 0.000 0.787 283 A N -2.671 120.153 122.820 0.006 0.000 1.930 283 A HA -0.160 nan 4.320 nan 0.000 0.217 283 A C 1.861 179.446 177.584 0.002 0.000 1.175 283 A CA 2.803 54.860 52.037 0.034 0.000 0.627 283 A CB -0.984 18.053 19.000 0.061 0.000 0.815 283 A HN -0.389 7.676 8.150 -0.003 0.083 0.443 284 A N -1.913 120.791 122.820 -0.193 0.000 1.930 284 A HA -0.296 nan 4.320 nan 0.000 0.217 284 A C 1.411 178.899 177.584 -0.159 0.000 1.175 284 A CA 2.986 54.698 52.037 -0.542 0.000 0.627 284 A CB -0.799 17.407 19.000 -1.325 0.000 0.815 284 A HN 0.180 8.135 8.150 -0.205 0.071 0.443 285 C N -1.003 118.264 119.300 -0.055 0.000 2.432 285 C HA -0.356 nan 4.460 nan 0.000 0.277 285 C C 1.932 176.982 174.990 0.100 0.000 1.249 285 C CA 3.843 62.907 59.018 0.077 0.000 1.725 285 C CB -1.879 25.915 27.740 0.089 0.000 2.028 285 C HN 0.416 8.401 8.230 -0.080 0.197 0.477 286 E N -0.012 120.239 120.200 0.086 0.000 2.077 286 E HA -0.363 nan 4.350 nan 0.000 0.193 286 E C 2.045 178.691 176.600 0.076 0.000 0.989 286 E CA 3.088 59.548 56.400 0.101 0.000 0.800 286 E CB -0.372 29.416 29.700 0.148 0.000 0.746 286 E HN -0.357 8.046 8.360 0.072 0.000 0.452 287 E N 0.025 120.297 120.200 0.120 0.000 2.077 287 E HA -0.230 nan 4.350 nan 0.000 0.193 287 E C 2.364 179.010 176.600 0.078 0.000 0.989 287 E CA 2.565 59.038 56.400 0.122 0.000 0.800 287 E CB -0.444 29.413 29.700 0.261 0.000 0.746 287 E HN -0.198 8.239 8.360 0.129 0.000 0.452 288 L N -1.293 120.051 121.223 0.201 0.000 2.093 288 L HA -0.289 nan 4.340 nan 0.000 0.208 288 L C 2.360 179.478 176.870 0.412 0.000 1.085 288 L CA 2.949 57.997 54.840 0.346 0.000 0.755 288 L CB -0.215 42.120 42.059 0.460 0.000 0.904 288 L HN -0.038 8.323 8.230 0.218 0.000 0.435 289 L N -2.192 119.118 121.223 0.145 0.000 2.131 289 L HA -0.416 nan 4.340 nan 0.000 0.210 289 L C 2.302 178.937 176.870 -0.391 0.000 1.092 289 L CA 3.278 57.916 54.840 -0.337 0.000 0.759 289 L CB -0.667 41.028 42.059 -0.607 0.000 0.903 289 L HN 0.032 8.251 8.230 0.110 0.077 0.435 290 R N -0.278 120.041 120.500 -0.303 0.000 2.055 290 R HA -0.280 nan 4.340 nan 0.000 0.228 290 R C 2.428 178.564 176.300 -0.275 0.000 1.143 290 R CA 3.481 59.418 56.100 -0.271 0.000 0.945 290 R CB -0.253 29.983 30.300 -0.106 0.000 0.841 290 R HN -0.219 7.826 8.270 -0.187 0.112 0.429 291 R N 0.045 120.333 120.500 -0.353 0.000 2.105 291 R HA -0.200 nan 4.340 nan 0.000 0.239 291 R C 1.308 177.109 176.300 -0.832 0.000 1.135 291 R CA 2.259 57.962 56.100 -0.661 0.000 0.967 291 R CB -0.047 29.657 30.300 -0.993 0.000 0.861 291 R HN -0.140 7.960 8.270 -0.283 0.000 0.442 292 F N -3.447 116.416 119.950 -0.145 0.000 2.923 292 F HA 0.210 nan 4.527 nan 0.000 0.314 292 F C -0.944 174.760 175.800 -0.160 0.000 1.196 292 F CA -1.346 56.529 58.000 -0.207 0.000 1.320 292 F CB -0.717 38.186 39.000 -0.162 0.000 0.953 292 F HN -0.413 7.782 8.300 -0.143 0.018 0.505 293 S N 0.177 115.781 115.700 -0.160 0.000 2.566 293 S HA -0.151 nan 4.470 nan 0.000 0.280 293 S C 0.093 174.522 174.600 -0.285 0.000 1.343 293 S CA 1.113 59.163 58.200 -0.249 0.000 1.036 293 S CB 0.578 63.597 63.200 -0.301 0.000 0.866 293 S HN -0.549 7.541 8.310 -0.236 0.078 0.526 294 L N -3.156 117.914 121.223 -0.254 0.000 3.520 294 L HA 0.414 nan 4.340 nan 0.000 0.323 294 L C -1.733 174.989 176.870 -0.246 0.000 1.246 294 L CA -0.228 54.467 54.840 -0.242 0.000 1.085 294 L CB 1.469 43.533 42.059 0.008 0.000 1.477 294 L HN 0.195 8.269 8.230 -0.259 0.000 0.624 295 V N 0.266 120.019 119.914 -0.268 0.000 2.547 295 V HA 0.641 nan 4.120 nan 0.000 0.299 295 V C -2.117 173.806 176.094 -0.286 0.000 1.040 295 V CA -1.227 60.939 62.300 -0.224 0.000 0.913 295 V CB 2.363 34.100 31.823 -0.143 0.000 0.992 295 V HN -0.472 7.549 8.190 -0.282 0.000 0.449 296 A N 5.710 128.383 122.820 -0.246 0.000 2.684 296 A HA 0.562 nan 4.320 nan 0.000 0.289 296 A C -2.333 175.177 177.584 -0.123 0.000 1.139 296 A CA -0.153 51.771 52.037 -0.188 0.000 0.793 296 A CB 1.364 20.177 19.000 -0.311 0.000 1.334 296 A HN 0.655 8.677 8.150 -0.214 0.000 0.408 297 D N 1.868 122.243 120.400 -0.041 0.000 2.712 297 D HA 0.766 nan 4.640 nan 0.000 0.252 297 D C -1.292 175.054 176.300 0.076 0.000 1.123 297 D CA -1.867 52.102 54.000 -0.052 0.000 1.109 297 D CB 2.695 43.481 40.800 -0.023 0.000 1.313 297 D HN -0.233 8.413 8.370 0.029 -0.259 0.629 298 G N -3.537 105.311 108.800 0.081 0.000 2.772 298 G HA2 0.571 nan 3.960 nan 0.000 0.284 298 G HA3 0.571 nan 3.960 nan 0.000 0.284 298 G C -2.024 172.922 174.900 0.078 0.000 1.217 298 G CA 0.421 45.561 45.100 0.067 0.000 0.831 298 G HN 0.161 8.497 8.290 0.076 0.000 0.523 299 R N -3.722 116.816 120.500 0.063 0.000 2.906 299 R HA 0.899 nan 4.340 nan 0.000 0.258 299 R C -2.312 174.071 176.300 0.138 0.000 1.156 299 R CA -2.593 53.573 56.100 0.110 0.000 0.996 299 R CB 4.881 35.285 30.300 0.173 0.000 1.259 299 R HN 0.375 8.676 8.270 0.051 0.000 0.462 300 I N -0.812 119.842 120.570 0.141 0.000 2.647 300 I HA 0.572 nan 4.170 nan 0.000 0.295 300 I C -2.116 174.054 176.117 0.088 0.000 1.078 300 I CA -2.210 59.167 61.300 0.128 0.000 1.048 300 I CB 3.908 41.959 38.000 0.083 0.000 1.239 300 I HN 0.001 8.291 8.210 0.134 0.000 0.421 301 L N 6.831 128.102 121.223 0.081 0.000 2.410 301 L HA 0.153 nan 4.340 nan 0.000 0.273 301 L C 1.188 178.042 176.870 -0.027 0.000 1.144 301 L CA 0.345 55.167 54.840 -0.030 0.000 0.863 301 L CB -1.123 40.952 42.059 0.027 0.000 1.140 301 L HN 0.534 8.852 8.230 0.148 0.000 0.463 302 T N 0.514 115.016 114.554 -0.085 0.000 3.043 302 T HA -0.064 nan 4.350 nan 0.000 0.263 302 T C -0.685 173.989 174.700 -0.043 0.000 1.094 302 T CA 1.460 63.523 62.100 -0.062 0.000 1.127 302 T CB 0.454 69.259 68.868 -0.104 0.000 0.905 302 T HN 0.359 8.500 8.240 -0.165 0.000 0.490 303 S N -0.465 115.217 115.700 -0.030 0.000 2.636 303 S HA 0.074 nan 4.470 nan 0.000 0.266 303 S C -1.885 172.735 174.600 0.034 0.000 1.147 303 S CA -0.769 57.432 58.200 0.003 0.000 0.815 303 S CB 2.033 65.233 63.200 0.001 0.000 1.119 303 S HN -0.666 7.587 8.310 -0.045 0.029 0.470 304 D N 0.447 120.870 120.400 0.038 0.000 2.443 304 D HA 0.109 nan 4.640 nan 0.000 0.239 304 D C -1.577 174.798 176.300 0.124 0.000 1.136 304 D CA 1.212 55.240 54.000 0.048 0.000 0.879 304 D CB 0.080 40.893 40.800 0.021 0.000 1.195 304 D HN 0.028 8.414 8.370 0.026 0.000 0.443 305 Y N 2.171 122.409 120.300 -0.103 0.000 2.474 305 Y HA 0.076 nan 4.550 nan 0.000 0.326 305 Y C -2.825 173.010 175.900 -0.107 0.000 1.160 305 Y CA -0.787 57.209 58.100 -0.173 0.000 1.056 305 Y CB 4.057 42.281 38.460 -0.393 0.000 1.330 305 Y HN 0.441 8.659 8.280 0.062 0.099 0.447 306 E N 7.225 127.090 120.200 -0.558 0.000 2.081 306 E HA 0.338 nan 4.350 nan 0.000 0.281 306 E C -1.869 174.322 176.600 -0.682 0.000 0.986 306 E CA -1.203 54.921 56.400 -0.459 0.000 0.796 306 E CB 0.970 30.520 29.700 -0.250 0.000 1.085 306 E HN 0.265 8.367 8.360 -0.429 0.000 0.398 307 F N 8.327 127.904 119.950 -0.621 0.000 2.375 307 F HA 0.306 nan 4.527 nan 0.000 0.361 307 F C -0.843 174.897 175.800 -0.101 0.000 1.117 307 F CA -1.455 56.311 58.000 -0.390 0.000 1.037 307 F CB 1.258 40.163 39.000 -0.159 0.000 1.192 307 F HN 0.640 8.812 8.300 -0.212 0.000 0.452 308 H N 8.446 127.191 119.070 -0.542 0.000 2.713 308 H HA -0.336 nan 4.556 nan 0.000 0.311 308 H C 0.101 175.270 175.328 -0.265 0.000 1.175 308 H CA 0.493 56.270 56.048 -0.452 0.000 1.143 308 H CB -2.154 27.234 29.762 -0.623 0.000 1.434 308 H HN 1.070 9.039 8.280 -0.518 0.000 0.418 309 G N -5.447 103.256 108.800 -0.162 0.000 2.179 309 G HA2 -0.501 nan 3.960 nan 0.000 0.260 309 G HA3 -0.501 nan 3.960 nan 0.000 0.260 309 G C -0.810 174.047 174.900 -0.072 0.000 0.977 309 G CA 0.141 45.182 45.100 -0.099 0.000 0.641 309 G HN 0.280 8.432 8.290 -0.214 0.010 0.533 310 V N 2.628 122.477 119.914 -0.108 0.000 2.427 310 V HA 0.106 nan 4.120 nan 0.000 0.286 310 V C -0.700 175.307 176.094 -0.146 0.000 1.034 310 V CA -0.964 61.261 62.300 -0.124 0.000 0.893 310 V CB 1.150 32.830 31.823 -0.240 0.000 0.982 310 V HN -0.397 7.526 8.190 -0.132 0.188 0.452 311 Q N 4.755 124.526 119.800 -0.049 0.000 2.323 311 Q HA 0.208 nan 4.340 nan 0.000 0.257 311 Q C -0.805 175.232 176.000 0.061 0.000 1.022 311 Q CA -0.779 55.024 55.803 -0.000 0.000 0.919 311 Q CB -0.718 28.067 28.738 0.078 0.000 1.220 311 Q HN 0.332 8.610 8.270 0.014 0.000 0.427 312 L N 6.131 127.337 121.223 -0.029 0.000 2.309 312 L HA 0.287 nan 4.340 nan 0.000 0.282 312 L C -0.918 176.001 176.870 0.082 0.000 1.036 312 L CA -0.840 54.029 54.840 0.048 0.000 0.806 312 L CB 1.036 43.054 42.059 -0.069 0.000 1.220 312 L HN 0.944 9.012 8.230 -0.085 0.111 0.429 313 K N 1.775 122.242 120.400 0.112 0.000 2.123 313 K HA 0.472 nan 4.320 nan 0.000 0.259 313 K C -1.038 175.590 176.600 0.047 0.000 0.960 313 K CA -2.702 53.552 56.287 -0.055 0.000 0.872 313 K CB 1.471 33.729 32.500 -0.402 0.000 1.079 313 K HN 0.423 9.226 8.250 0.340 -0.348 0.440 314 K N 2.274 122.682 120.400 0.013 0.000 2.491 314 K HA -0.487 nan 4.320 nan 0.000 0.279 314 K C 0.676 177.313 176.600 0.062 0.000 1.026 314 K CA 2.128 58.433 56.287 0.031 0.000 1.070 314 K CB -0.097 32.410 32.500 0.012 0.000 0.887 314 K HN 0.007 8.570 8.250 -0.018 -0.324 0.481 315 G N 6.433 115.283 108.800 0.084 0.000 2.195 315 G HA2 -0.510 nan 3.960 nan 0.000 0.246 315 G HA3 -0.510 nan 3.960 nan 0.000 0.246 315 G C -0.757 174.253 174.900 0.183 0.000 0.984 315 G CA -0.125 45.041 45.100 0.109 0.000 0.633 315 G HN 0.866 9.079 8.290 0.069 0.118 0.525 316 D N 1.857 122.413 120.400 0.261 0.000 2.382 316 D HA 0.008 nan 4.640 nan 0.000 0.245 316 D C -0.865 175.664 176.300 0.383 0.000 1.120 316 D CA 0.951 55.217 54.000 0.444 0.000 0.890 316 D CB 0.740 41.969 40.800 0.716 0.000 1.201 316 D HN -0.046 8.383 8.370 0.220 0.073 0.433 317 Q N 0.550 120.566 119.800 0.361 0.000 2.230 317 Q HA 0.719 nan 4.340 nan 0.000 0.253 317 Q C -1.118 175.093 176.000 0.351 0.000 0.919 317 Q CA -0.768 55.187 55.803 0.253 0.000 0.908 317 Q CB 2.421 31.229 28.738 0.116 0.000 1.245 317 Q HN 0.338 8.830 8.270 0.369 0.000 0.437 318 I N 2.543 123.279 120.570 0.276 0.000 2.478 318 I HA 0.493 nan 4.170 nan 0.000 0.287 318 I C -2.825 173.368 176.117 0.126 0.000 1.042 318 I CA -1.879 59.593 61.300 0.288 0.000 1.067 318 I CB 3.336 41.504 38.000 0.279 0.000 1.233 318 I HN 0.613 8.946 8.210 0.204 0.000 0.431 319 L N 8.977 130.292 121.223 0.154 0.000 2.319 319 L HA 0.467 nan 4.340 nan 0.000 0.280 319 L C -2.318 174.577 176.870 0.042 0.000 1.099 319 L CA -0.356 54.531 54.840 0.079 0.000 0.828 319 L CB 1.318 43.462 42.059 0.143 0.000 1.150 319 L HN 0.676 8.966 8.230 0.285 0.110 0.442 320 L N 6.341 127.554 121.223 -0.017 0.000 2.502 320 L HA 0.476 nan 4.340 nan 0.000 0.247 320 L C -2.296 174.629 176.870 0.092 0.000 1.180 320 L CA -3.185 51.593 54.840 -0.104 0.000 0.956 320 L CB 0.084 41.783 42.059 -0.600 0.000 1.282 320 L HN 0.605 8.847 8.230 0.020 0.000 0.470 321 P HA -0.057 nan 4.420 nan 0.000 0.254 321 P C -0.029 177.272 177.300 0.002 0.000 1.186 321 P CA 0.254 63.377 63.100 0.038 0.000 0.868 321 P CB -0.224 31.540 31.700 0.106 0.000 0.856 322 Q N 6.099 125.900 119.800 0.001 0.000 2.181 322 Q HA -0.341 nan 4.340 nan 0.000 0.205 322 Q C 2.182 178.110 176.000 -0.119 0.000 0.980 322 Q CA 3.591 59.379 55.803 -0.025 0.000 0.862 322 Q CB -0.411 28.279 28.738 -0.080 0.000 0.905 322 Q HN 0.471 8.745 8.270 0.006 0.000 0.429 323 M N -0.011 119.455 119.600 -0.225 0.000 2.149 323 M HA -0.353 nan 4.480 nan 0.000 0.261 323 M C 1.044 177.223 176.300 -0.201 0.000 1.064 323 M CA 3.513 58.639 55.300 -0.290 0.000 1.102 323 M CB 0.024 32.320 32.600 -0.507 0.000 1.369 323 M HN -0.398 7.713 8.290 -0.265 0.020 0.408 324 L N -3.531 117.611 121.223 -0.135 0.000 2.156 324 L HA -0.306 nan 4.340 nan 0.000 0.208 324 L C 1.629 178.455 176.870 -0.074 0.000 1.095 324 L CA 1.906 56.697 54.840 -0.081 0.000 0.770 324 L CB -0.427 41.612 42.059 -0.034 0.000 0.914 324 L HN -0.478 7.546 8.230 -0.126 0.130 0.439 325 S N -0.253 115.409 115.700 -0.063 0.000 2.372 325 S HA -0.374 nan 4.470 nan 0.000 0.227 325 S C 2.640 177.209 174.600 -0.051 0.000 1.044 325 S CA 3.288 61.455 58.200 -0.056 0.000 1.050 325 S CB -0.522 62.650 63.200 -0.046 0.000 0.901 325 S HN 0.215 8.492 8.310 -0.056 0.000 0.447 326 G N -0.978 107.795 108.800 -0.045 0.000 2.572 326 G HA2 -0.056 nan 3.960 nan 0.000 0.216 326 G HA3 -0.056 nan 3.960 nan 0.000 0.216 326 G C -0.158 174.697 174.900 -0.074 0.000 1.133 326 G CA 0.961 46.039 45.100 -0.036 0.000 0.791 326 G HN 0.017 8.259 8.290 -0.058 0.013 0.538 327 L N -1.723 119.445 121.223 -0.092 0.000 2.529 327 L HA -0.037 nan 4.340 nan 0.000 0.223 327 L C -0.310 176.517 176.870 -0.073 0.000 1.113 327 L CA -0.040 54.742 54.840 -0.097 0.000 0.861 327 L CB 0.069 42.066 42.059 -0.103 0.000 1.012 327 L HN -0.656 7.354 8.230 -0.091 0.166 0.461 328 D N 0.181 120.541 120.400 -0.066 0.000 2.382 328 D HA -0.133 nan 4.640 nan 0.000 0.259 328 D C 1.136 177.405 176.300 -0.052 0.000 1.224 328 D CA 0.312 54.275 54.000 -0.062 0.000 0.894 328 D CB 0.615 41.376 40.800 -0.065 0.000 1.127 328 D HN -0.744 7.423 8.370 -0.067 0.163 0.487 329 E N 6.255 126.426 120.200 -0.048 0.000 2.267 329 E HA -0.266 nan 4.350 nan 0.000 0.197 329 E C 0.786 177.365 176.600 -0.035 0.000 0.998 329 E CA 2.372 58.749 56.400 -0.039 0.000 0.830 329 E CB -1.051 28.628 29.700 -0.035 0.000 0.751 329 E HN 0.393 8.722 8.360 -0.052 0.000 0.491 330 R N -1.760 118.716 120.500 -0.040 0.000 2.189 330 R HA -0.124 nan 4.340 nan 0.000 0.218 330 R C 1.623 177.903 176.300 -0.033 0.000 1.074 330 R CA 1.912 57.990 56.100 -0.037 0.000 0.991 330 R CB 0.341 30.614 30.300 -0.044 0.000 0.883 330 R HN -0.434 8.041 8.270 -0.047 -0.233 0.457 331 E N -3.660 116.518 120.200 -0.036 0.000 2.201 331 E HA 0.030 nan 4.350 nan 0.000 0.193 331 E C 0.082 176.667 176.600 -0.024 0.000 0.957 331 E CA 0.840 57.221 56.400 -0.032 0.000 0.858 331 E CB 1.481 31.157 29.700 -0.039 0.000 0.816 331 E HN -0.002 8.158 8.360 -0.041 0.175 0.475 332 N N -0.793 117.892 118.700 -0.025 0.000 2.397 332 N HA 0.130 nan 4.740 nan 0.000 0.291 332 N C -1.743 173.757 175.510 -0.017 0.000 1.065 332 N CA -0.310 52.729 53.050 -0.018 0.000 0.884 332 N CB 2.654 41.127 38.487 -0.024 0.000 1.551 332 N HN -0.399 7.962 8.380 -0.032 0.000 0.487 333 A N 1.844 124.661 122.820 -0.006 0.000 2.462 333 A HA 0.031 nan 4.320 nan 0.000 0.243 333 A C 0.483 178.070 177.584 0.004 0.000 1.076 333 A CA 0.082 52.117 52.037 -0.004 0.000 0.773 333 A CB 0.583 19.584 19.000 0.002 0.000 1.010 333 A HN 0.243 8.392 8.150 -0.001 0.000 0.493 334 C N 0.104 119.404 119.300 -0.001 0.000 3.727 334 C HA -0.212 nan 4.460 nan 0.000 0.293 334 C C -0.031 174.966 174.990 0.012 0.000 1.339 334 C CA -0.991 58.033 59.018 0.010 0.000 2.150 334 C CB -3.228 24.528 27.740 0.028 0.000 1.383 334 C HN 0.535 8.760 8.230 -0.009 0.000 0.614 335 P HA -0.246 nan 4.420 nan 0.000 0.217 335 P C 0.901 178.144 177.300 -0.094 0.000 1.148 335 P CA 2.625 65.690 63.100 -0.058 0.000 0.828 335 P CB 0.195 31.856 31.700 -0.064 0.000 0.783 336 M N -4.329 115.232 119.600 -0.065 0.000 2.618 336 M HA 0.108 nan 4.480 nan 0.000 0.240 336 M C -0.318 175.941 176.300 -0.070 0.000 1.123 336 M CA -1.631 53.612 55.300 -0.096 0.000 1.060 336 M CB -1.439 31.133 32.600 -0.047 0.000 1.535 336 M HN -0.351 7.899 8.290 -0.035 0.019 0.507 337 H N 1.477 120.470 119.070 -0.128 0.000 2.489 337 H HA 0.183 nan 4.556 nan 0.000 0.322 337 H C -2.075 173.153 175.328 -0.167 0.000 1.091 337 H CA -0.338 55.648 56.048 -0.103 0.000 1.291 337 H CB 1.567 31.301 29.762 -0.046 0.000 1.436 337 H HN -0.255 7.880 8.280 0.050 0.175 0.480 338 V N 7.795 127.285 119.914 -0.707 0.000 2.385 338 V HA 0.037 nan 4.120 nan 0.000 0.269 338 V C -1.581 174.085 176.094 -0.713 0.000 1.043 338 V CA -0.192 61.685 62.300 -0.705 0.000 0.906 338 V CB -0.040 31.214 31.823 -0.948 0.000 0.995 338 V HN 0.547 8.377 8.190 -0.600 0.000 0.467 339 D N 7.865 128.016 120.400 -0.415 0.000 2.421 339 D HA 0.275 nan 4.640 nan 0.000 0.254 339 D C -0.135 176.166 176.300 0.000 0.000 1.238 339 D CA -1.593 52.279 54.000 -0.213 0.000 0.919 339 D CB 2.045 42.806 40.800 -0.064 0.000 1.152 339 D HN 0.194 8.774 8.370 -0.288 -0.383 0.552 340 F N 3.417 123.418 119.950 0.086 0.000 2.494 340 F HA -0.088 nan 4.527 nan 0.000 0.298 340 F C 0.638 176.477 175.800 0.065 0.000 1.106 340 F CA 0.060 58.111 58.000 0.086 0.000 1.452 340 F CB -0.395 38.684 39.000 0.131 0.000 1.085 340 F HN 0.363 8.519 8.300 -0.239 0.000 0.569 341 S N -3.357 112.469 115.700 0.210 0.000 2.561 341 S HA 0.019 nan 4.470 nan 0.000 0.245 341 S C -0.152 174.507 174.600 0.099 0.000 1.001 341 S CA -0.600 57.685 58.200 0.142 0.000 1.002 341 S CB 0.713 63.983 63.200 0.116 0.000 0.805 341 S HN -0.244 8.405 8.310 0.159 -0.244 0.458 342 R N 2.841 123.398 120.500 0.094 0.000 2.585 342 R HA -0.145 nan 4.340 nan 0.000 0.275 342 R C 0.136 176.473 176.300 0.062 0.000 1.018 342 R CA 0.922 57.062 56.100 0.067 0.000 1.072 342 R CB 0.073 30.407 30.300 0.057 0.000 0.953 342 R HN -0.829 7.448 8.270 0.115 0.062 0.419 343 Q N 3.113 122.942 119.800 0.048 0.000 2.226 343 Q HA -0.206 nan 4.340 nan 0.000 0.204 343 Q C 0.133 176.155 176.000 0.038 0.000 0.975 343 Q CA 1.738 57.566 55.803 0.041 0.000 0.866 343 Q CB 0.447 29.205 28.738 0.032 0.000 0.915 343 Q HN 0.280 8.577 8.270 0.044 0.000 0.440 344 K N -1.054 119.368 120.400 0.035 0.000 2.619 344 K HA 0.177 nan 4.320 nan 0.000 0.251 344 K C -2.027 174.593 176.600 0.032 0.000 0.987 344 K CA -0.371 55.933 56.287 0.029 0.000 0.844 344 K CB 1.798 34.307 32.500 0.015 0.000 1.237 344 K HN -0.589 7.651 8.250 0.036 0.033 0.447 345 V N 5.630 125.573 119.914 0.047 0.000 2.322 345 V HA 0.104 nan 4.120 nan 0.000 0.258 345 V C -0.703 175.419 176.094 0.046 0.000 1.074 345 V CA -0.696 61.648 62.300 0.072 0.000 0.909 345 V CB -0.949 30.951 31.823 0.129 0.000 1.090 345 V HN 0.329 8.549 8.190 0.051 0.000 0.486 346 S N 7.383 123.092 115.700 0.014 0.000 2.537 346 S HA 0.133 nan 4.470 nan 0.000 0.275 346 S C -1.607 173.002 174.600 0.015 0.000 1.272 346 S CA 0.124 58.300 58.200 -0.040 0.000 1.050 346 S CB 0.924 64.105 63.200 -0.032 0.000 0.961 346 S HN -0.095 8.488 8.310 0.018 -0.262 0.496 347 H N -0.487 118.560 119.070 -0.037 0.000 2.935 347 H HA 0.186 nan 4.556 nan 0.000 0.297 347 H C -1.676 173.624 175.328 -0.047 0.000 1.423 347 H CA -0.576 55.432 56.048 -0.066 0.000 1.161 347 H CB 1.891 31.594 29.762 -0.098 0.000 1.841 347 H HN -0.354 7.761 8.280 -0.275 0.000 0.506 348 T N -5.512 109.148 114.554 0.176 0.000 3.487 348 T HA 0.335 nan 4.350 nan 0.000 0.287 348 T C 0.941 175.688 174.700 0.077 0.000 1.004 348 T CA -0.552 61.623 62.100 0.125 0.000 0.977 348 T CB -0.487 68.401 68.868 0.033 0.000 1.180 348 T HN 0.495 8.811 8.240 0.126 0.000 0.490 349 T N 4.551 119.148 114.554 0.072 0.000 2.737 349 T HA -0.271 nan 4.350 nan 0.000 0.269 349 T C -0.264 174.197 174.700 -0.398 0.000 1.040 349 T CA 3.924 65.812 62.100 -0.352 0.000 1.142 349 T CB -0.060 68.319 68.868 -0.814 0.000 0.861 349 T HN -0.346 8.072 8.240 0.399 0.061 0.456 350 F N -1.781 118.159 119.950 -0.016 0.000 2.660 350 F HA 0.128 nan 4.527 nan 0.000 0.297 350 F C -0.720 175.046 175.800 -0.058 0.000 1.132 350 F CA -0.983 56.986 58.000 -0.052 0.000 1.372 350 F CB -0.867 38.106 39.000 -0.046 0.000 1.003 350 F HN -0.467 7.881 8.300 0.110 0.018 0.524 351 G N -0.313 108.512 108.800 0.042 0.000 2.660 351 G HA2 -0.377 nan 3.960 nan 0.000 0.215 351 G HA3 -0.377 nan 3.960 nan 0.000 0.215 351 G C -2.656 172.254 174.900 0.018 0.000 1.345 351 G CA 0.084 45.133 45.100 -0.086 0.000 0.877 351 G HN -0.338 7.754 8.290 0.003 0.199 0.549 352 H N -1.272 117.665 119.070 -0.221 0.000 3.094 352 H HA 0.101 nan 4.556 nan 0.000 0.346 352 H C -0.954 174.371 175.328 -0.005 0.000 1.238 352 H CA -0.086 55.925 56.048 -0.062 0.000 1.209 352 H CB 2.229 32.007 29.762 0.027 0.000 1.911 352 H HN -0.108 8.003 8.280 -0.281 0.000 0.540 353 G N 3.810 112.401 108.800 -0.348 0.000 2.587 353 G HA2 -0.284 nan 3.960 nan 0.000 0.212 353 G HA3 -0.284 nan 3.960 nan 0.000 0.212 353 G C 0.421 175.291 174.900 -0.051 0.000 1.327 353 G CA -0.166 44.875 45.100 -0.098 0.000 0.898 353 G HN -0.002 7.870 8.290 -0.697 0.000 0.551 354 S N 2.848 118.547 115.700 -0.002 0.000 2.469 354 S HA -0.268 nan 4.470 nan 0.000 0.238 354 S C 0.151 174.620 174.600 -0.219 0.000 0.998 354 S CA 2.574 60.691 58.200 -0.138 0.000 0.957 354 S CB -0.055 62.992 63.200 -0.256 0.000 0.764 354 S HN 0.547 8.909 8.310 0.086 0.000 0.514 355 H N -0.629 118.427 119.070 -0.024 0.000 2.507 355 H HA 0.140 nan 4.556 nan 0.000 0.294 355 H C -0.042 175.266 175.328 -0.034 0.000 1.064 355 H CA -1.119 54.920 56.048 -0.015 0.000 1.138 355 H CB 0.185 29.951 29.762 0.006 0.000 1.515 355 H HN -0.190 8.139 8.280 0.160 0.047 0.547 356 L N 2.400 123.638 121.223 0.025 0.000 2.601 356 L HA -0.244 nan 4.340 nan 0.000 0.277 356 L C -0.592 176.280 176.870 0.004 0.000 1.219 356 L CA 0.496 55.338 54.840 0.004 0.000 0.915 356 L CB 0.416 42.458 42.059 -0.029 0.000 1.160 356 L HN -0.571 7.573 8.230 -0.011 0.080 0.494 357 C N 8.194 127.509 119.300 0.025 0.000 2.211 357 C HA -0.224 nan 4.460 nan 0.000 0.393 357 C C 1.281 176.200 174.990 -0.118 0.000 1.531 357 C CA 1.252 60.266 59.018 -0.006 0.000 1.465 357 C CB -0.542 27.235 27.740 0.063 0.000 2.534 357 C HN 0.173 8.444 8.230 0.069 0.000 0.592 358 L N 6.420 127.606 121.223 -0.062 0.000 2.270 358 L HA -0.029 nan 4.340 nan 0.000 0.210 358 L C 1.356 178.163 176.870 -0.104 0.000 1.104 358 L CA 1.711 56.513 54.840 -0.064 0.000 0.804 358 L CB 0.277 42.340 42.059 0.007 0.000 0.937 358 L HN 0.495 8.721 8.230 -0.006 0.000 0.450 359 G N -3.393 105.344 108.800 -0.104 0.000 3.088 359 G HA2 0.012 nan 3.960 nan 0.000 0.212 359 G HA3 0.012 nan 3.960 nan 0.000 0.212 359 G C -0.264 174.492 174.900 -0.240 0.000 1.173 359 G CA 0.263 45.306 45.100 -0.095 0.000 0.779 359 G HN -0.258 7.962 8.290 -0.068 0.029 0.540 360 Q N 0.887 120.354 119.800 -0.554 0.000 2.170 360 Q HA -0.401 nan 4.340 nan 0.000 0.203 360 Q C 1.564 177.150 176.000 -0.690 0.000 0.976 360 Q CA 3.028 58.203 55.803 -1.047 0.000 0.858 360 Q CB -0.598 27.091 28.738 -1.748 0.000 0.907 360 Q HN -0.422 7.443 8.270 -0.533 0.086 0.433 361 H N -0.071 118.847 119.070 -0.254 0.000 2.357 361 H HA -0.174 nan 4.556 nan 0.000 0.301 361 H C 2.206 177.495 175.328 -0.065 0.000 1.082 361 H CA 2.799 58.767 56.048 -0.133 0.000 1.342 361 H CB -0.356 29.352 29.762 -0.091 0.000 1.389 361 H HN -0.190 7.617 8.280 -0.742 0.027 0.511 362 L N 0.251 121.497 121.223 0.039 0.000 2.056 362 L HA -0.283 nan 4.340 nan 0.000 0.207 362 L C 1.324 178.222 176.870 0.047 0.000 1.078 362 L CA 2.411 57.277 54.840 0.045 0.000 0.749 362 L CB -0.682 41.399 42.059 0.037 0.000 0.901 362 L HN -0.743 7.485 8.230 -0.002 0.000 0.433 363 A N -0.969 121.864 122.820 0.023 0.000 1.883 363 A HA -0.389 nan 4.320 nan 0.000 0.217 363 A C 2.175 179.845 177.584 0.144 0.000 1.186 363 A CA 3.328 55.426 52.037 0.102 0.000 0.624 363 A CB -0.843 18.266 19.000 0.181 0.000 0.822 363 A HN 0.385 8.509 8.150 -0.042 0.000 0.444 364 R N -2.164 118.397 120.500 0.101 0.000 2.096 364 R HA -0.356 nan 4.340 nan 0.000 0.235 364 R C 2.335 178.722 176.300 0.145 0.000 1.127 364 R CA 3.458 59.637 56.100 0.132 0.000 0.968 364 R CB -0.103 30.252 30.300 0.092 0.000 0.861 364 R HN -0.111 8.162 8.270 0.006 0.000 0.440 365 R N -0.220 120.358 120.500 0.130 0.000 2.073 365 R HA -0.303 nan 4.340 nan 0.000 0.234 365 R C 2.211 178.639 176.300 0.215 0.000 1.134 365 R CA 3.077 59.264 56.100 0.146 0.000 0.952 365 R CB -0.537 29.834 30.300 0.120 0.000 0.850 365 R HN -0.204 8.130 8.270 0.105 0.000 0.433 366 E N -0.210 120.132 120.200 0.237 0.000 2.110 366 E HA -0.330 nan 4.350 nan 0.000 0.193 366 E C 2.691 179.573 176.600 0.469 0.000 0.988 366 E CA 3.101 59.742 56.400 0.402 0.000 0.804 366 E CB -0.212 29.614 29.700 0.210 0.000 0.745 366 E HN -0.250 8.213 8.360 0.172 0.000 0.458 367 I N 0.010 120.782 120.570 0.337 0.000 2.233 367 I HA -0.454 nan 4.170 nan 0.000 0.243 367 I C 1.930 178.187 176.117 0.234 0.000 1.093 367 I CA 4.305 65.799 61.300 0.323 0.000 1.380 367 I CB 0.007 38.205 38.000 0.330 0.000 1.067 367 I HN -0.112 8.172 8.210 0.278 0.092 0.413 368 I N -0.110 120.574 120.570 0.189 0.000 2.226 368 I HA -0.532 nan 4.170 nan 0.000 0.245 368 I C 1.892 178.085 176.117 0.126 0.000 1.100 368 I CA 4.716 66.095 61.300 0.131 0.000 1.374 368 I CB -0.421 37.645 38.000 0.109 0.000 1.057 368 I HN 0.025 8.351 8.210 0.194 0.000 0.413 369 V N -0.220 119.793 119.914 0.165 0.000 2.343 369 V HA -0.524 nan 4.120 nan 0.000 0.247 369 V C 2.035 178.185 176.094 0.093 0.000 1.051 369 V CA 5.237 67.622 62.300 0.140 0.000 1.036 369 V CB -1.071 30.880 31.823 0.213 0.000 0.654 369 V HN 0.318 8.631 8.190 0.205 0.000 0.451 370 T N 2.464 117.091 114.554 0.122 0.000 2.708 370 T HA -0.347 nan 4.350 nan 0.000 0.266 370 T C 1.832 176.567 174.700 0.059 0.000 1.037 370 T CA 4.982 67.121 62.100 0.066 0.000 1.146 370 T CB -0.545 68.422 68.868 0.165 0.000 0.865 370 T HN -0.416 7.955 8.240 0.219 0.000 0.435 371 L N 0.500 121.767 121.223 0.074 0.000 1.990 371 L HA -0.520 nan 4.340 nan 0.000 0.213 371 L C 1.665 178.579 176.870 0.074 0.000 1.072 371 L CA 3.574 58.449 54.840 0.058 0.000 0.755 371 L CB -0.564 41.521 42.059 0.044 0.000 0.889 371 L HN 0.167 8.460 8.230 0.105 0.000 0.432 372 K N -1.181 119.257 120.400 0.062 0.000 2.025 372 K HA -0.387 nan 4.320 nan 0.000 0.207 372 K C 2.489 179.115 176.600 0.044 0.000 1.049 372 K CA 3.437 59.755 56.287 0.051 0.000 0.933 372 K CB -0.098 32.427 32.500 0.043 0.000 0.714 372 K HN -0.381 7.908 8.250 0.064 0.000 0.438 373 E N -1.325 118.899 120.200 0.039 0.000 2.110 373 E HA -0.288 nan 4.350 nan 0.000 0.193 373 E C 2.397 178.986 176.600 -0.018 0.000 0.988 373 E CA 2.473 58.877 56.400 0.007 0.000 0.804 373 E CB -0.660 29.040 29.700 -0.000 0.000 0.745 373 E HN -0.072 8.316 8.360 0.047 0.000 0.458 374 W N 0.699 121.891 121.300 -0.180 0.000 2.378 374 W HA -0.244 nan 4.660 nan 0.000 0.313 374 W C 1.582 177.979 176.519 -0.204 0.000 1.197 374 W CA 3.680 60.864 57.345 -0.270 0.000 1.304 374 W CB 0.410 29.646 29.460 -0.374 0.000 1.148 374 W HN 0.171 8.440 8.180 0.148 0.000 0.494 375 L N -3.486 117.844 121.223 0.179 0.000 2.191 375 L HA -0.419 nan 4.340 nan 0.000 0.212 375 L C 2.111 178.990 176.870 0.015 0.000 1.103 375 L CA 2.521 57.445 54.840 0.140 0.000 0.769 375 L CB -0.387 41.766 42.059 0.157 0.000 0.908 375 L HN -0.451 7.906 8.230 0.211 0.000 0.438 376 T N -0.519 114.019 114.554 -0.026 0.000 2.701 376 T HA -0.204 nan 4.350 nan 0.000 0.263 376 T C 1.313 175.951 174.700 -0.103 0.000 1.040 376 T CA 2.669 64.741 62.100 -0.047 0.000 1.147 376 T CB -0.094 68.749 68.868 -0.040 0.000 0.865 376 T HN -0.130 8.074 8.240 -0.012 0.029 0.426 377 R N -1.044 119.341 120.500 -0.193 0.000 2.100 377 R HA 0.032 nan 4.340 nan 0.000 0.220 377 R C 0.663 176.747 176.300 -0.360 0.000 1.091 377 R CA 2.793 58.736 56.100 -0.261 0.000 0.986 377 R CB 1.375 31.485 30.300 -0.316 0.000 0.888 377 R HN -0.745 7.399 8.270 -0.211 0.000 0.444 378 I N -1.629 118.626 120.570 -0.524 0.000 2.833 378 I HA 0.328 nan 4.170 nan 0.000 0.286 378 I C -2.591 173.436 176.117 -0.151 0.000 1.287 378 I CA -2.945 57.995 61.300 -0.600 0.000 1.046 378 I CB -0.019 37.153 38.000 -1.380 0.000 1.612 378 I HN 0.266 8.057 8.210 -0.526 0.104 0.585 379 P HA -0.153 nan 4.420 nan 0.000 0.220 379 P C -0.969 176.410 177.300 0.132 0.000 1.148 379 P CA 2.214 65.365 63.100 0.086 0.000 0.803 379 P CB 0.504 32.219 31.700 0.026 0.000 0.782 380 D N -3.255 117.226 120.400 0.135 0.000 2.549 380 D HA 0.275 nan 4.640 nan 0.000 0.251 380 D C -2.088 174.367 176.300 0.259 0.000 1.153 380 D CA -0.651 53.409 54.000 0.100 0.000 0.861 380 D CB 2.542 43.380 40.800 0.063 0.000 1.207 380 D HN -0.252 8.143 8.370 0.089 0.028 0.543 381 F N -0.630 119.363 119.950 0.070 0.000 2.686 381 F HA 0.768 nan 4.527 nan 0.000 0.311 381 F C -3.067 172.804 175.800 0.118 0.000 1.128 381 F CA -1.932 56.167 58.000 0.166 0.000 0.946 381 F CB 2.497 41.593 39.000 0.159 0.000 1.336 381 F HN -0.352 7.738 8.300 -0.350 0.000 0.457 382 S N -3.141 112.741 115.700 0.303 0.000 2.656 382 S HA 0.450 nan 4.470 nan 0.000 0.273 382 S C -1.401 173.320 174.600 0.202 0.000 1.168 382 S CA -1.635 56.634 58.200 0.115 0.000 0.817 382 S CB 3.276 66.507 63.200 0.051 0.000 1.146 382 S HN 0.461 9.062 8.310 0.485 0.000 0.475 383 I N 0.625 121.258 120.570 0.105 0.000 2.519 383 I HA 0.017 nan 4.170 nan 0.000 0.287 383 I C 0.298 176.471 176.117 0.094 0.000 1.047 383 I CA -0.109 61.254 61.300 0.106 0.000 1.381 383 I CB 0.596 38.630 38.000 0.057 0.000 1.417 383 I HN 0.313 8.550 8.210 0.045 0.000 0.540 384 A N 8.587 131.466 122.820 0.098 0.000 2.565 384 A HA 0.033 nan 4.320 nan 0.000 0.237 384 A C -2.070 175.543 177.584 0.048 0.000 1.053 384 A CA -1.093 50.986 52.037 0.070 0.000 0.755 384 A CB -0.908 18.129 19.000 0.062 0.000 0.980 384 A HN 0.386 8.495 8.150 0.112 0.108 0.506 385 P HA -0.164 nan 4.420 nan 0.000 0.266 385 P C -0.093 177.221 177.300 0.024 0.000 1.195 385 P CA 1.001 64.117 63.100 0.027 0.000 0.768 385 P CB 0.254 31.966 31.700 0.021 0.000 0.838 386 G N 1.290 110.103 108.800 0.022 0.000 2.155 386 G HA2 -0.287 nan 3.960 nan 0.000 0.257 386 G HA3 -0.287 nan 3.960 nan 0.000 0.257 386 G C -0.900 174.015 174.900 0.024 0.000 0.983 386 G CA 0.150 45.262 45.100 0.020 0.000 0.676 386 G HN 0.208 8.510 8.290 0.020 0.000 0.528 387 A N 0.429 123.266 122.820 0.030 0.000 2.328 387 A HA 0.124 nan 4.320 nan 0.000 0.284 387 A C -0.557 177.045 177.584 0.031 0.000 1.160 387 A CA -0.196 51.862 52.037 0.035 0.000 0.818 387 A CB 0.531 19.558 19.000 0.046 0.000 1.087 387 A HN -0.509 7.607 8.150 0.031 0.053 0.504 388 Q N 3.411 123.229 119.800 0.031 0.000 2.462 388 Q HA 0.100 nan 4.340 nan 0.000 0.247 388 Q C -1.162 174.857 176.000 0.033 0.000 1.044 388 Q CA -1.264 54.555 55.803 0.026 0.000 0.803 388 Q CB 0.695 29.446 28.738 0.022 0.000 1.190 388 Q HN 0.270 8.560 8.270 0.032 0.000 0.507 389 I N 2.453 123.044 120.570 0.034 0.000 2.588 389 I HA -0.092 nan 4.170 nan 0.000 0.283 389 I C -0.266 175.874 176.117 0.038 0.000 1.119 389 I CA -0.803 60.530 61.300 0.055 0.000 1.419 389 I CB 0.022 38.067 38.000 0.075 0.000 1.394 389 I HN 0.330 8.556 8.210 0.028 0.000 0.562 390 Q N 5.146 125.004 119.800 0.096 0.000 2.375 390 Q HA 0.358 nan 4.340 nan 0.000 0.271 390 Q C -1.586 174.578 176.000 0.273 0.000 1.074 390 Q CA -1.504 54.358 55.803 0.099 0.000 0.808 390 Q CB 4.030 32.818 28.738 0.084 0.000 1.327 390 Q HN 0.466 8.809 8.270 0.122 0.000 0.441 391 H N 1.250 120.396 119.070 0.127 0.000 2.595 391 H HA 0.625 nan 4.556 nan 0.000 0.346 391 H C -1.031 174.395 175.328 0.163 0.000 1.181 391 H CA -1.639 54.517 56.048 0.180 0.000 1.242 391 H CB 2.480 32.422 29.762 0.301 0.000 1.652 391 H HN 0.132 8.518 8.280 0.176 0.000 0.548 392 K N -0.598 119.985 120.400 0.305 0.000 2.422 392 K HA 0.466 nan 4.320 nan 0.000 0.251 392 K C -1.932 174.827 176.600 0.266 0.000 0.933 392 K CA -2.360 54.065 56.287 0.231 0.000 0.798 392 K CB 3.270 35.866 32.500 0.161 0.000 1.238 392 K HN 0.426 8.860 8.250 0.306 0.000 0.428 393 S N 0.861 116.722 115.700 0.268 0.000 2.578 393 S HA 0.559 nan 4.470 nan 0.000 0.301 393 S C -0.961 173.810 174.600 0.286 0.000 1.091 393 S CA -2.001 56.389 58.200 0.318 0.000 1.032 393 S CB 1.306 64.750 63.200 0.407 0.000 1.064 393 S HN 0.367 8.818 8.310 0.235 0.000 0.508 394 G N 2.312 111.244 108.800 0.220 0.000 2.392 394 G HA2 0.094 nan 3.960 nan 0.000 0.260 394 G HA3 0.094 nan 3.960 nan 0.000 0.260 394 G C -0.752 174.127 174.900 -0.035 0.000 1.226 394 G CA 0.480 45.639 45.100 0.099 0.000 0.913 394 G HN -0.333 8.094 8.290 0.227 0.000 0.483 395 I N 0.975 121.509 120.570 -0.060 0.000 2.361 395 I HA -0.186 nan 4.170 nan 0.000 0.251 395 I C -0.733 175.313 176.117 -0.118 0.000 1.133 395 I CA 2.643 63.815 61.300 -0.213 0.000 1.413 395 I CB 0.028 37.769 38.000 -0.433 0.000 1.073 395 I HN -0.200 8.079 8.210 0.114 0.000 0.424 396 V N -2.245 117.660 119.914 -0.015 0.000 2.569 396 V HA 0.256 nan 4.120 nan 0.000 0.301 396 V C -1.181 174.955 176.094 0.072 0.000 1.044 396 V CA -1.693 60.613 62.300 0.011 0.000 0.874 396 V CB 2.492 34.346 31.823 0.051 0.000 1.002 396 V HN -0.829 7.372 8.190 0.039 0.012 0.424 397 S N 7.158 122.908 115.700 0.083 0.000 2.632 397 S HA 0.572 nan 4.470 nan 0.000 0.267 397 S C -0.838 173.943 174.600 0.302 0.000 1.276 397 S CA -0.551 57.768 58.200 0.198 0.000 0.998 397 S CB 1.021 64.319 63.200 0.162 0.000 0.953 397 S HN 0.557 8.874 8.310 0.011 0.000 0.547 398 G N -1.141 107.810 108.800 0.251 0.000 2.721 398 G HA2 0.302 nan 3.960 nan 0.000 0.296 398 G HA3 0.302 nan 3.960 nan 0.000 0.296 398 G C -3.007 171.732 174.900 -0.268 0.000 1.383 398 G CA -0.447 44.610 45.100 -0.072 0.000 0.788 398 G HN 0.194 8.647 8.290 0.270 0.000 0.500 399 V N -0.906 118.746 119.914 -0.436 0.000 2.448 399 V HA 0.349 nan 4.120 nan 0.000 0.295 399 V C -0.270 175.772 176.094 -0.087 0.000 1.025 399 V CA -1.303 60.820 62.300 -0.295 0.000 0.859 399 V CB 1.098 32.636 31.823 -0.475 0.000 0.988 399 V HN 0.263 8.201 8.190 -0.421 0.000 0.431 400 Q N 7.795 127.610 119.800 0.024 0.000 2.030 400 Q HA -0.256 nan 4.340 nan 0.000 0.204 400 Q C -0.725 175.294 176.000 0.031 0.000 0.986 400 Q CA 2.207 58.033 55.803 0.040 0.000 0.843 400 Q CB 0.992 29.772 28.738 0.069 0.000 0.904 400 Q HN 0.409 8.731 8.270 0.087 0.000 0.420 401 A N -5.544 117.300 122.820 0.040 0.000 2.604 401 A HA 0.206 nan 4.320 nan 0.000 0.295 401 A C -2.592 175.027 177.584 0.058 0.000 1.067 401 A CA -0.486 51.580 52.037 0.049 0.000 0.683 401 A CB 2.484 21.516 19.000 0.053 0.000 1.281 401 A HN -0.290 7.891 8.150 0.053 0.000 0.407 402 L N 0.605 121.877 121.223 0.082 0.000 2.490 402 L HA 0.525 nan 4.340 nan 0.000 0.256 402 L C -3.090 173.858 176.870 0.128 0.000 1.089 402 L CA -3.359 51.533 54.840 0.087 0.000 0.916 402 L CB 2.513 44.610 42.059 0.063 0.000 1.188 402 L HN 0.324 8.613 8.230 0.098 0.000 0.476 403 P HA 0.249 nan 4.420 nan 0.000 0.276 403 P C -1.744 175.653 177.300 0.161 0.000 1.264 403 P CA 0.078 63.253 63.100 0.124 0.000 0.769 403 P CB -0.311 31.440 31.700 0.085 0.000 0.840 404 L N 5.615 126.981 121.223 0.240 0.000 2.346 404 L HA 0.876 nan 4.340 nan 0.000 0.274 404 L C -1.591 175.493 176.870 0.357 0.000 1.007 404 L CA -1.108 53.948 54.840 0.361 0.000 0.818 404 L CB 3.034 45.385 42.059 0.488 0.000 1.284 404 L HN 0.572 8.953 8.230 0.250 0.000 0.424 405 V N -4.653 115.490 119.914 0.381 0.000 2.962 405 V HA 0.949 nan 4.120 nan 0.000 0.313 405 V C -2.421 173.943 176.094 0.451 0.000 1.099 405 V CA -2.728 59.683 62.300 0.185 0.000 0.971 405 V CB 2.878 34.744 31.823 0.071 0.000 1.028 405 V HN 0.750 9.195 8.190 0.425 0.000 0.430 406 W N -0.442 120.924 121.300 0.110 0.000 2.989 406 W HA 0.414 nan 4.660 nan 0.000 0.344 406 W C -2.407 174.146 176.519 0.056 0.000 1.233 406 W CA -0.854 56.554 57.345 0.106 0.000 1.187 406 W CB 1.594 31.142 29.460 0.147 0.000 1.443 406 W HN 0.583 8.500 8.180 -0.298 0.083 0.573 407 D N 0.605 121.191 120.400 0.310 0.000 2.347 407 D HA 0.492 nan 4.640 nan 0.000 0.235 407 D C -0.107 176.346 176.300 0.256 0.000 1.149 407 D CA -4.127 49.972 54.000 0.166 0.000 0.850 407 D CB 0.739 41.612 40.800 0.121 0.000 1.061 407 D HN 0.273 8.871 8.370 0.381 0.000 0.487 408 P HA -0.177 nan 4.420 nan 0.000 0.218 408 P C 0.130 177.507 177.300 0.128 0.000 1.148 408 P CA 1.875 65.094 63.100 0.198 0.000 0.822 408 P CB 0.199 31.950 31.700 0.085 0.000 0.784 409 A N -3.657 119.216 122.820 0.088 0.000 2.125 409 A HA -0.165 nan 4.320 nan 0.000 0.219 409 A C 1.590 179.210 177.584 0.060 0.000 1.156 409 A CA 2.591 54.663 52.037 0.059 0.000 0.671 409 A CB -0.715 18.311 19.000 0.043 0.000 0.794 409 A HN -0.377 8.026 8.150 0.078 -0.206 0.459 410 T N -2.608 111.998 114.554 0.087 0.000 3.069 410 T HA 0.246 nan 4.350 nan 0.000 0.252 410 T C 0.164 174.891 174.700 0.045 0.000 1.053 410 T CA -0.450 61.691 62.100 0.067 0.000 0.964 410 T CB 0.090 69.008 68.868 0.084 0.000 1.005 410 T HN -0.055 8.081 8.240 0.126 0.179 0.532 411 T N 0.518 115.102 114.554 0.050 0.000 2.884 411 T HA 0.406 nan 4.350 nan 0.000 0.277 411 T C -1.496 173.192 174.700 -0.021 0.000 0.976 411 T CA -1.734 60.356 62.100 -0.017 0.000 0.956 411 T CB 1.885 70.745 68.868 -0.013 0.000 1.113 411 T HN -0.372 7.734 8.240 0.082 0.183 0.554 412 K N -1.161 119.205 120.400 -0.056 0.000 2.557 412 K HA 0.142 nan 4.320 nan 0.000 0.257 412 K C -2.293 174.274 176.600 -0.056 0.000 0.933 412 K CA -0.700 55.563 56.287 -0.040 0.000 0.820 412 K CB 2.566 35.048 32.500 -0.030 0.000 1.330 412 K HN 0.041 8.230 8.250 -0.101 0.000 0.432 413 A N 1.444 124.241 122.820 -0.038 0.000 2.302 413 A HA 0.251 nan 4.320 nan 0.000 0.285 413 A C -0.644 176.921 177.584 -0.032 0.000 1.105 413 A CA -0.304 51.710 52.037 -0.040 0.000 0.816 413 A CB 0.683 19.668 19.000 -0.025 0.000 1.067 413 A HN -0.088 8.048 8.150 -0.025 0.000 0.489 414 V N 0.000 119.895 119.914 -0.031 0.000 2.409 414 V HA 0.000 nan 4.120 nan 0.000 0.244 414 V CA 0.000 62.287 62.300 -0.021 0.000 1.235 414 V CB 0.000 31.809 31.823 -0.023 0.000 1.184 414 V HN 0.000 8.169 8.190 -0.035 0.000 0.556