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 1akd_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 LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIQRPE 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 0.000 175.498 175.510 -0.020 0.000 1.280 10 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 10 N CB 0.000 38.478 38.487 -0.016 0.000 1.341 11 L N 1.408 122.621 121.223 -0.018 0.000 2.416 11 L HA 0.705 5.037 4.340 -0.014 0.000 0.262 11 L C 0.497 177.372 176.870 0.008 0.000 1.093 11 L CA -0.344 54.488 54.840 -0.013 0.000 0.801 11 L CB 0.526 42.575 42.059 -0.017 0.000 1.191 11 L HN 0.673 nan 8.230 nan 0.000 0.459 12 A N 1.767 124.603 122.820 0.027 0.000 2.305 12 A HA 0.755 5.067 4.320 -0.014 0.000 0.322 12 A C -2.341 175.286 177.584 0.070 0.000 1.187 12 A CA -1.334 50.736 52.037 0.054 0.000 0.825 12 A CB 0.257 19.304 19.000 0.078 0.000 1.164 12 A HN 0.541 nan 8.150 nan 0.000 0.498 13 P HA 0.180 nan 4.420 nan 0.000 0.269 13 P C -0.386 176.923 177.300 0.014 0.000 1.209 13 P CA -0.268 62.846 63.100 0.024 0.000 0.776 13 P CB 0.352 32.059 31.700 0.012 0.000 0.876 14 L N 6.113 127.310 121.223 -0.042 0.000 2.455 14 L HA 0.221 4.552 4.340 -0.014 0.000 0.272 14 L C -2.002 174.742 176.870 -0.211 0.000 1.174 14 L CA -1.199 53.543 54.840 -0.164 0.000 0.869 14 L CB -0.633 41.312 42.059 -0.190 0.000 1.130 14 L HN 0.341 nan 8.230 nan 0.000 0.474 15 P HA 0.219 nan 4.420 nan 0.000 0.272 15 P C -2.169 174.968 177.300 -0.272 0.000 1.223 15 P CA -1.035 61.894 63.100 -0.285 0.000 0.784 15 P CB 0.140 31.599 31.700 -0.402 0.000 0.923 16 P HA -0.191 nan 4.420 nan 0.000 0.216 16 P C 1.205 178.483 177.300 -0.037 0.000 1.150 16 P CA 1.484 64.561 63.100 -0.038 0.000 0.837 16 P CB -0.354 31.363 31.700 0.028 0.000 0.786 17 H N -1.922 117.081 119.070 -0.110 0.000 2.548 17 H HA 0.101 4.649 4.556 -0.014 0.000 0.268 17 H C 0.074 175.354 175.328 -0.080 0.000 0.975 17 H CA 0.279 56.290 56.048 -0.061 0.000 1.195 17 H CB -0.893 28.866 29.762 -0.005 0.000 1.397 17 H HN -0.073 nan 8.280 nan 0.000 0.572 18 V N 4.993 124.545 119.914 -0.603 0.000 2.408 18 V HA 0.184 4.295 4.120 -0.014 0.000 0.267 18 V C -1.943 173.959 176.094 -0.319 0.000 1.047 18 V CA -1.509 60.442 62.300 -0.581 0.000 0.937 18 V CB 1.052 32.178 31.823 -1.163 0.000 0.999 18 V HN 0.236 nan 8.190 nan 0.000 0.472 19 P HA 0.171 nan 4.420 nan 0.000 0.272 19 P C 0.699 177.899 177.300 -0.167 0.000 1.223 19 P CA -0.285 62.742 63.100 -0.122 0.000 0.784 19 P CB 1.061 32.708 31.700 -0.089 0.000 0.923 20 E N 0.463 120.638 120.200 -0.042 0.000 2.285 20 E HA -0.163 4.178 4.350 -0.014 0.000 0.194 20 E C 1.283 177.899 176.600 0.028 0.000 0.997 20 E CA 0.471 56.862 56.400 -0.016 0.000 0.845 20 E CB -0.037 29.679 29.700 0.027 0.000 0.782 20 E HN 0.590 nan 8.360 nan 0.000 0.491 21 H N -0.852 118.233 119.070 0.025 0.000 2.547 21 H HA 0.060 4.608 4.556 -0.014 0.000 0.266 21 H C 1.399 176.773 175.328 0.076 0.000 0.988 21 H CA 0.228 56.303 56.048 0.045 0.000 1.147 21 H CB 0.025 29.807 29.762 0.035 0.000 1.365 21 H HN 0.199 nan 8.280 nan 0.000 0.589 22 L N 1.181 122.280 121.223 -0.206 0.000 2.693 22 L HA 0.206 4.538 4.340 -0.014 0.000 0.235 22 L C 0.006 176.930 176.870 0.091 0.000 1.127 22 L CA -0.218 54.589 54.840 -0.055 0.000 0.914 22 L CB 0.978 43.001 42.059 -0.061 0.000 1.193 22 L HN -0.016 nan 8.230 nan 0.000 0.502 23 V N 0.757 120.717 119.914 0.078 0.000 2.455 23 V HA 0.110 4.221 4.120 -0.014 0.000 0.273 23 V C -0.621 175.584 176.094 0.185 0.000 1.045 23 V CA 0.037 62.416 62.300 0.131 0.000 0.976 23 V CB 0.882 32.747 31.823 0.070 0.000 0.993 23 V HN 0.083 nan 8.190 nan 0.000 0.475 24 F N 3.771 123.731 119.950 0.017 0.000 2.745 24 F HA 0.425 4.944 4.527 -0.014 0.000 0.343 24 F C -0.099 175.690 175.800 -0.018 0.000 1.196 24 F CA -0.783 57.218 58.000 0.001 0.000 1.021 24 F CB 1.406 40.404 39.000 -0.004 0.000 1.297 24 F HN 0.496 nan 8.300 nan 0.000 0.486 25 D N 6.715 126.940 120.400 -0.291 0.000 2.498 25 D HA 0.030 4.662 4.640 -0.014 0.000 0.229 25 D C -0.578 175.625 176.300 -0.163 0.000 1.188 25 D CA 0.508 54.391 54.000 -0.196 0.000 1.028 25 D CB -0.054 40.628 40.800 -0.196 0.000 1.087 25 D HN 0.274 nan 8.370 nan 0.000 0.510 26 F N 1.826 121.670 119.950 -0.176 0.000 2.404 26 F HA 0.175 4.693 4.527 -0.014 0.000 0.345 26 F C 0.279 175.951 175.800 -0.213 0.000 1.110 26 F CA -0.898 57.009 58.000 -0.154 0.000 1.130 26 F CB 1.033 40.005 39.000 -0.047 0.000 1.129 26 F HN -0.077 nan 8.300 nan 0.000 0.500 27 D N 6.738 126.706 120.400 -0.720 0.000 2.329 27 D HA 0.133 4.764 4.640 -0.014 0.000 0.232 27 D C 0.780 176.589 176.300 -0.818 0.000 1.088 27 D CA -0.440 53.242 54.000 -0.529 0.000 0.835 27 D CB 1.194 41.795 40.800 -0.333 0.000 1.078 27 D HN 0.727 nan 8.370 nan 0.000 0.495 28 M N 2.185 121.493 119.600 -0.487 0.000 2.562 28 M HA 0.004 4.476 4.480 -0.014 0.000 0.257 28 M C 0.119 176.194 176.300 -0.375 0.000 1.099 28 M CA 0.942 55.952 55.300 -0.484 0.000 1.099 28 M CB 0.039 32.512 32.600 -0.211 0.000 1.427 28 M HN 0.196 nan 8.290 nan 0.000 0.489 29 Y N 0.657 120.903 120.300 -0.090 0.000 2.478 29 Y HA 0.311 4.853 4.550 -0.014 0.000 0.261 29 Y C 0.044 175.912 175.900 -0.053 0.000 1.127 29 Y CA -0.075 58.012 58.100 -0.022 0.000 1.288 29 Y CB 0.507 38.954 38.460 -0.022 0.000 1.084 29 Y HN 0.413 nan 8.280 nan 0.000 0.530 30 N N 0.347 119.018 118.700 -0.049 0.000 2.785 30 N HA 0.163 4.895 4.740 -0.014 0.000 0.224 30 N C -3.112 172.254 175.510 -0.239 0.000 1.448 30 N CA -1.179 51.823 53.050 -0.079 0.000 0.748 30 N CB 1.053 39.519 38.487 -0.035 0.000 1.385 30 N HN -0.228 nan 8.380 nan 0.000 0.538 31 P HA 0.110 nan 4.420 nan 0.000 0.275 31 P C 0.473 177.649 177.300 -0.206 0.000 1.228 31 P CA -0.157 62.658 63.100 -0.474 0.000 0.786 31 P CB 1.349 32.743 31.700 -0.510 0.000 0.927 32 S N 0.998 116.590 115.700 -0.180 0.000 2.481 32 S HA -0.092 4.369 4.470 -0.014 0.000 0.231 32 S C 1.151 175.737 174.600 -0.024 0.000 0.996 32 S CA 0.678 58.826 58.200 -0.087 0.000 0.942 32 S CB -0.835 62.313 63.200 -0.086 0.000 0.768 32 S HN 0.497 nan 8.310 nan 0.000 0.520 33 N N 0.238 118.944 118.700 0.009 0.000 2.279 33 N HA 0.332 5.063 4.740 -0.014 0.000 0.226 33 N C 0.944 176.495 175.510 0.068 0.000 1.126 33 N CA -0.117 52.963 53.050 0.050 0.000 0.846 33 N CB 0.022 38.560 38.487 0.086 0.000 1.050 33 N HN 0.168 nan 8.380 nan 0.000 0.502 34 L N -0.130 121.126 121.223 0.055 0.000 2.127 34 L HA -0.062 4.270 4.340 -0.014 0.000 0.211 34 L C 1.763 178.680 176.870 0.078 0.000 1.089 34 L CA 1.664 56.560 54.840 0.094 0.000 0.757 34 L CB -0.507 41.599 42.059 0.079 0.000 0.899 34 L HN 0.124 nan 8.230 nan 0.000 0.434 35 S N -0.303 115.422 115.700 0.042 0.000 2.399 35 S HA -0.086 4.375 4.470 -0.014 0.000 0.231 35 S C 1.945 176.546 174.600 0.002 0.000 1.022 35 S CA 0.921 59.129 58.200 0.014 0.000 0.983 35 S CB -0.509 62.698 63.200 0.012 0.000 0.803 35 S HN 0.622 nan 8.310 nan 0.000 0.480 36 A N 0.867 123.707 122.820 0.034 0.000 2.239 36 A HA 0.487 4.798 4.320 -0.014 0.000 0.209 36 A C 1.098 178.717 177.584 0.058 0.000 1.171 36 A CA 0.667 52.730 52.037 0.044 0.000 0.768 36 A CB -0.786 18.253 19.000 0.064 0.000 0.790 36 A HN 0.871 nan 8.150 nan 0.000 0.478 37 G N -2.649 106.180 108.800 0.048 0.000 2.640 37 G HA2 0.068 4.020 3.960 -0.014 0.000 0.686 37 G HA3 0.068 4.020 3.960 -0.014 0.000 0.686 37 G C 0.368 175.474 174.900 0.344 0.000 1.229 37 G CA -0.172 45.023 45.100 0.157 0.000 0.796 37 G HN 0.909 nan 8.290 nan 0.000 0.654 38 V N 1.180 121.457 119.914 0.605 0.000 2.591 38 V HA -0.060 4.052 4.120 -0.014 0.000 0.249 38 V C 2.597 178.913 176.094 0.371 0.000 1.053 38 V CA 3.150 65.731 62.300 0.468 0.000 1.068 38 V CB -0.147 31.932 31.823 0.427 0.000 0.689 38 V HN 0.776 nan 8.190 nan 0.000 0.462 39 Q N 0.121 120.030 119.800 0.181 0.000 2.124 39 Q HA -0.199 4.133 4.340 -0.014 0.000 0.202 39 Q C 2.093 178.187 176.000 0.156 0.000 0.977 39 Q CA 2.163 58.007 55.803 0.069 0.000 0.850 39 Q CB -0.238 28.456 28.738 -0.072 0.000 0.901 39 Q HN 0.688 nan 8.270 nan 0.000 0.429 40 E N 0.022 120.323 120.200 0.168 0.000 2.072 40 E HA -0.109 4.232 4.350 -0.014 0.000 0.191 40 E C 1.817 178.532 176.600 0.191 0.000 0.985 40 E CA 1.178 57.665 56.400 0.145 0.000 0.801 40 E CB -0.298 29.477 29.700 0.125 0.000 0.750 40 E HN 0.398 nan 8.360 nan 0.000 0.452 41 A N -0.129 122.845 122.820 0.258 0.000 1.933 41 A HA -0.163 4.148 4.320 -0.014 0.000 0.218 41 A C 1.657 179.448 177.584 0.345 0.000 1.175 41 A CA 1.210 53.406 52.037 0.265 0.000 0.628 41 A CB -0.869 18.280 19.000 0.250 0.000 0.814 41 A HN 0.362 nan 8.150 nan 0.000 0.444 42 W N -0.493 120.931 121.300 0.207 0.000 2.518 42 W HA 0.208 4.861 4.660 -0.013 0.000 0.273 42 W C 2.503 178.998 176.519 -0.041 0.000 1.247 42 W CA 0.795 58.224 57.345 0.141 0.000 1.288 42 W CB -0.163 29.341 29.460 0.073 0.000 1.107 42 W HN 0.345 nan 8.180 nan 0.000 0.586 43 A N 0.391 123.328 122.820 0.195 0.000 2.209 43 A HA -0.046 4.266 4.320 -0.014 0.000 0.212 43 A C 1.924 179.515 177.584 0.012 0.000 1.158 43 A CA 1.466 53.540 52.037 0.062 0.000 0.742 43 A CB -1.118 17.910 19.000 0.046 0.000 0.790 43 A HN 0.231 nan 8.150 nan 0.000 0.472 44 V N -2.512 117.430 119.914 0.047 0.000 2.913 44 V HA -0.106 4.006 4.120 -0.014 0.000 0.260 44 V C 1.809 177.831 176.094 -0.120 0.000 1.098 44 V CA 1.643 63.964 62.300 0.035 0.000 1.121 44 V CB -0.926 30.998 31.823 0.167 0.000 0.714 44 V HN 0.450 nan 8.190 nan 0.000 0.487 45 L N -0.315 120.757 121.223 -0.251 0.000 2.552 45 L HA 0.087 4.418 4.340 -0.014 0.000 0.227 45 L C 2.188 178.863 176.870 -0.324 0.000 1.146 45 L CA 0.973 55.537 54.840 -0.460 0.000 0.858 45 L CB -0.366 41.384 42.059 -0.515 0.000 0.969 45 L HN 0.400 nan 8.230 nan 0.000 0.451 46 Q N -0.449 119.234 119.800 -0.195 0.000 2.165 46 Q HA 0.175 4.507 4.340 -0.014 0.000 0.245 46 Q C -0.093 175.842 176.000 -0.108 0.000 0.841 46 Q CA -0.171 55.546 55.803 -0.143 0.000 1.078 46 Q CB 0.774 29.451 28.738 -0.102 0.000 1.169 46 Q HN 0.463 nan 8.270 nan 0.000 0.475 47 E N 0.116 120.247 120.200 -0.115 0.000 2.359 47 E HA 0.087 4.428 4.350 -0.014 0.000 0.255 47 E C 0.936 177.494 176.600 -0.070 0.000 1.191 47 E CA 0.293 56.651 56.400 -0.070 0.000 0.952 47 E CB 0.740 30.416 29.700 -0.040 0.000 1.152 47 E HN 0.123 nan 8.360 nan 0.000 0.496 48 S N 0.381 116.056 115.700 -0.041 0.000 2.402 48 S HA -0.209 4.253 4.470 -0.014 0.000 0.229 48 S C 1.363 175.944 174.600 -0.031 0.000 1.021 48 S CA 1.697 59.877 58.200 -0.034 0.000 0.974 48 S CB -0.631 62.558 63.200 -0.018 0.000 0.800 48 S HN 0.591 nan 8.310 nan 0.000 0.484 49 N N 0.964 119.651 118.700 -0.022 0.000 2.457 49 N HA 0.079 4.810 4.740 -0.014 0.000 0.180 49 N C -0.091 175.407 175.510 -0.020 0.000 1.050 49 N CA 0.349 53.399 53.050 0.000 0.000 0.906 49 N CB -0.222 38.289 38.487 0.041 0.000 0.968 49 N HN 0.289 nan 8.380 nan 0.000 0.445 50 V N 1.690 121.547 119.914 -0.094 0.000 2.439 50 V HA 0.356 4.468 4.120 -0.014 0.000 0.282 50 V C -1.929 174.088 176.094 -0.128 0.000 1.039 50 V CA -1.802 60.394 62.300 -0.173 0.000 0.913 50 V CB 1.113 32.686 31.823 -0.417 0.000 0.983 50 V HN 0.058 nan 8.190 nan 0.000 0.460 51 P HA 0.217 nan 4.420 nan 0.000 0.273 51 P C 0.194 177.438 177.300 -0.093 0.000 1.250 51 P CA -0.382 62.685 63.100 -0.055 0.000 0.793 51 P CB 0.621 32.325 31.700 0.007 0.000 1.011 52 D N -0.826 119.516 120.400 -0.098 0.000 2.310 52 D HA -0.014 4.618 4.640 -0.014 0.000 0.212 52 D C 0.135 176.374 176.300 -0.101 0.000 0.965 52 D CA 1.386 55.306 54.000 -0.134 0.000 0.879 52 D CB -0.108 40.572 40.800 -0.200 0.000 0.921 52 D HN -0.008 nan 8.370 nan 0.000 0.510 53 L N 0.515 121.715 121.223 -0.038 0.000 2.541 53 L HA 0.305 4.637 4.340 -0.014 0.000 0.266 53 L C -0.885 176.097 176.870 0.187 0.000 0.966 53 L CA -1.189 53.684 54.840 0.055 0.000 0.871 53 L CB 1.434 43.499 42.059 0.009 0.000 1.232 53 L HN -0.169 nan 8.230 nan 0.000 0.408 54 V N 1.476 121.537 119.914 0.245 0.000 3.019 54 V HA 0.708 4.820 4.120 -0.014 0.000 0.317 54 V C -1.025 175.308 176.094 0.397 0.000 1.094 54 V CA -0.873 61.596 62.300 0.282 0.000 1.000 54 V CB 2.386 34.273 31.823 0.107 0.000 1.060 54 V HN 0.867 nan 8.190 nan 0.000 0.443 55 W N 2.046 123.340 121.300 -0.010 0.000 2.475 55 W HA 0.644 5.295 4.660 -0.014 0.000 0.317 55 W C -0.768 175.620 176.519 -0.219 0.000 1.046 55 W CA -0.197 56.948 57.345 -0.333 0.000 1.215 55 W CB 1.892 30.948 29.460 -0.673 0.000 1.335 55 W HN 0.884 nan 8.180 nan 0.000 0.471 56 T N 5.037 119.139 114.554 -0.755 0.000 2.859 56 T HA 0.388 4.730 4.350 -0.014 0.000 0.281 56 T C 0.903 175.164 174.700 -0.731 0.000 1.005 56 T CA -0.454 61.316 62.100 -0.550 0.000 1.025 56 T CB 1.247 69.845 68.868 -0.450 0.000 0.977 56 T HN 0.636 nan 8.240 nan 0.000 0.458 57 R N 1.815 122.157 120.500 -0.263 0.000 2.317 57 R HA 0.213 4.545 4.340 -0.014 0.000 0.208 57 R C 0.426 176.654 176.300 -0.120 0.000 0.914 57 R CA -0.193 55.851 56.100 -0.095 0.000 1.060 57 R CB -0.238 30.085 30.300 0.038 0.000 1.015 57 R HN 0.543 nan 8.270 nan 0.000 0.498 58 C N 1.374 120.567 119.300 -0.178 0.000 2.604 58 C HA 0.150 4.601 4.460 -0.014 0.000 0.396 58 C C 0.724 175.693 174.990 -0.035 0.000 1.282 58 C CA -0.522 58.436 59.018 -0.100 0.000 2.292 58 C CB 0.059 27.730 27.740 -0.114 0.000 2.633 58 C HN 0.675 nan 8.230 nan 0.000 0.620 59 N N 0.764 119.481 118.700 0.028 0.000 2.738 59 N HA -0.125 4.607 4.740 -0.014 0.000 0.249 59 N C 0.735 176.294 175.510 0.081 0.000 1.047 59 N CA 0.921 54.023 53.050 0.088 0.000 0.707 59 N CB -1.194 37.399 38.487 0.176 0.000 0.937 59 N HN 1.394 nan 8.380 nan 0.000 0.545 60 G N -1.691 107.137 108.800 0.046 0.000 2.284 60 G HA2 0.065 4.017 3.960 -0.014 0.000 0.247 60 G HA3 0.065 4.017 3.960 -0.014 0.000 0.247 60 G C 0.589 175.522 174.900 0.054 0.000 1.012 60 G CA 0.443 45.576 45.100 0.055 0.000 0.618 60 G HN 1.690 nan 8.290 nan 0.000 0.521 61 G N -0.777 108.001 108.800 -0.036 0.000 3.355 61 G HA2 0.601 4.553 3.960 -0.014 0.000 0.686 61 G HA3 0.601 4.553 3.960 -0.014 0.000 0.686 61 G C -0.567 173.978 174.900 -0.591 0.000 1.097 61 G CA 0.591 45.513 45.100 -0.297 0.000 0.881 61 G HN 2.744 nan 8.290 nan 0.000 0.550 62 H N -1.535 116.694 119.070 -1.402 0.000 2.967 62 H HA 0.707 5.254 4.556 -0.014 0.000 0.318 62 H C -0.594 174.090 175.328 -1.073 0.000 1.375 62 H CA -1.627 53.785 56.048 -1.059 0.000 1.132 62 H CB 0.348 29.889 29.762 -0.368 0.000 1.848 62 H HN 0.618 nan 8.280 nan 0.000 0.524 63 W N 0.593 121.794 121.300 -0.165 0.000 2.215 63 W HA 0.619 5.270 4.660 -0.014 0.000 0.342 63 W C -0.354 176.198 176.519 0.056 0.000 1.237 63 W CA -0.581 56.773 57.345 0.015 0.000 1.283 63 W CB 0.835 30.415 29.460 0.200 0.000 1.131 63 W HN 0.411 nan 8.180 nan 0.000 0.606 64 I N 2.296 123.042 120.570 0.294 0.000 2.512 64 I HA 0.391 4.552 4.170 -0.014 0.000 0.287 64 I C -0.291 175.893 176.117 0.111 0.000 1.069 64 I CA -1.192 60.204 61.300 0.159 0.000 1.056 64 I CB 1.444 39.462 38.000 0.029 0.000 1.229 64 I HN 0.446 nan 8.210 nan 0.000 0.429 65 A N 3.217 126.072 122.820 0.058 0.000 2.328 65 A HA 0.546 4.858 4.320 -0.014 0.000 0.284 65 A C 0.864 178.421 177.584 -0.045 0.000 1.160 65 A CA -0.111 51.926 52.037 -0.001 0.000 0.818 65 A CB 0.296 19.283 19.000 -0.023 0.000 1.087 65 A HN 0.861 nan 8.150 nan 0.000 0.504 66 T N -0.741 113.763 114.554 -0.084 0.000 3.010 66 T HA 0.314 4.655 4.350 -0.014 0.000 0.257 66 T C 0.594 175.229 174.700 -0.108 0.000 1.020 66 T CA -0.057 61.974 62.100 -0.114 0.000 0.938 66 T CB 0.062 68.829 68.868 -0.169 0.000 1.049 66 T HN 0.431 nan 8.240 nan 0.000 0.522 67 R N 0.440 120.873 120.500 -0.111 0.000 2.778 67 R HA 0.760 5.092 4.340 -0.014 0.000 0.277 67 R C 1.473 177.712 176.300 -0.102 0.000 0.977 67 R CA -0.945 55.086 56.100 -0.115 0.000 0.950 67 R CB 0.887 31.099 30.300 -0.145 0.000 1.165 67 R HN 0.134 nan 8.270 nan 0.000 0.474 68 G N 0.689 109.434 108.800 -0.092 0.000 2.432 68 G HA2 -0.261 3.691 3.960 -0.014 0.000 0.219 68 G HA3 -0.261 3.691 3.960 -0.014 0.000 0.219 68 G C 0.932 175.777 174.900 -0.092 0.000 1.135 68 G CA 0.452 45.501 45.100 -0.085 0.000 0.767 68 G HN 0.579 nan 8.290 nan 0.000 0.550 69 Q N -0.331 119.408 119.800 -0.101 0.000 2.050 69 Q HA 0.008 4.340 4.340 -0.014 0.000 0.202 69 Q C 2.559 178.514 176.000 -0.076 0.000 0.980 69 Q CA 0.854 56.603 55.803 -0.091 0.000 0.840 69 Q CB -0.170 28.497 28.738 -0.117 0.000 0.898 69 Q HN 0.472 nan 8.270 nan 0.000 0.424 70 L N 0.161 121.305 121.223 -0.132 0.000 2.156 70 L HA -0.114 4.218 4.340 -0.014 0.000 0.208 70 L C 2.315 179.198 176.870 0.021 0.000 1.095 70 L CA 0.666 55.466 54.840 -0.067 0.000 0.770 70 L CB -0.399 41.554 42.059 -0.177 0.000 0.914 70 L HN 0.301 nan 8.230 nan 0.000 0.439 71 I N -0.204 120.332 120.570 -0.057 0.000 2.286 71 I HA -0.223 3.938 4.170 -0.014 0.000 0.245 71 I C 2.759 178.864 176.117 -0.020 0.000 1.104 71 I CA 1.068 62.313 61.300 -0.092 0.000 1.397 71 I CB -0.226 37.753 38.000 -0.034 0.000 1.072 71 I HN 0.173 nan 8.210 nan 0.000 0.417 72 R N 0.555 121.037 120.500 -0.031 0.000 2.075 72 R HA -0.159 4.173 4.340 -0.014 0.000 0.232 72 R C 2.206 178.594 176.300 0.146 0.000 1.126 72 R CA 1.297 57.353 56.100 -0.073 0.000 0.963 72 R CB -0.237 29.891 30.300 -0.286 0.000 0.858 72 R HN 0.390 nan 8.270 nan 0.000 0.435 73 E N 0.235 120.517 120.200 0.136 0.000 2.077 73 E HA -0.176 4.166 4.350 -0.014 0.000 0.193 73 E C 1.971 178.683 176.600 0.187 0.000 0.989 73 E CA 1.201 57.742 56.400 0.236 0.000 0.800 73 E CB -0.025 29.893 29.700 0.364 0.000 0.746 73 E HN 0.371 nan 8.360 nan 0.000 0.452 74 A N 0.048 122.840 122.820 -0.048 0.000 1.968 74 A HA -0.149 4.163 4.320 -0.014 0.000 0.217 74 A C 1.642 179.091 177.584 -0.225 0.000 1.169 74 A CA 0.992 52.698 52.037 -0.551 0.000 0.638 74 A CB -0.493 17.804 19.000 -1.170 0.000 0.812 74 A HN 0.270 nan 8.150 nan 0.000 0.446 75 Y N 0.275 120.594 120.300 0.032 0.000 2.516 75 Y HA 0.008 4.550 4.550 -0.013 0.000 0.291 75 Y C 2.217 178.260 175.900 0.239 0.000 1.131 75 Y CA 0.973 59.165 58.100 0.153 0.000 1.281 75 Y CB -0.172 38.405 38.460 0.195 0.000 1.013 75 Y HN 0.478 nan 8.280 nan 0.000 0.554 76 E N -0.746 119.685 120.200 0.385 0.000 2.122 76 E HA -0.106 4.236 4.350 -0.014 0.000 0.190 76 E C 0.319 177.074 176.600 0.258 0.000 0.977 76 E CA 0.570 57.155 56.400 0.307 0.000 0.820 76 E CB 0.128 29.987 29.700 0.264 0.000 0.770 76 E HN 0.089 nan 8.360 nan 0.000 0.462 77 D N 0.257 120.805 120.400 0.247 0.000 2.483 77 D HA -0.022 4.610 4.640 -0.014 0.000 0.220 77 D C 0.309 176.736 176.300 0.211 0.000 1.173 77 D CA -0.268 53.832 54.000 0.166 0.000 0.964 77 D CB -0.005 40.977 40.800 0.304 0.000 1.046 77 D HN 0.192 nan 8.370 nan 0.000 0.517 78 Y N 1.634 122.038 120.300 0.174 0.000 2.516 78 Y HA 0.118 4.661 4.550 -0.013 0.000 0.291 78 Y C 1.891 177.814 175.900 0.038 0.000 1.131 78 Y CA 0.153 58.341 58.100 0.147 0.000 1.281 78 Y CB -0.258 38.290 38.460 0.147 0.000 1.013 78 Y HN 0.072 nan 8.280 nan 0.000 0.554 79 R N 0.311 120.642 120.500 -0.281 0.000 2.073 79 R HA -0.135 4.197 4.340 -0.014 0.000 0.234 79 R C 1.543 177.598 176.300 -0.410 0.000 1.134 79 R CA 2.141 58.037 56.100 -0.341 0.000 0.952 79 R CB -0.739 29.239 30.300 -0.538 0.000 0.850 79 R HN 0.564 nan 8.270 nan 0.000 0.433 80 H N -1.724 117.109 119.070 -0.395 0.000 2.465 80 H HA 0.107 4.655 4.556 -0.014 0.000 0.289 80 H C -0.160 174.745 175.328 -0.707 0.000 1.022 80 H CA 0.376 56.005 56.048 -0.698 0.000 1.340 80 H CB 0.318 29.331 29.762 -1.248 0.000 1.437 80 H HN -0.034 nan 8.280 nan 0.000 0.539 81 F N 0.764 120.716 119.950 0.003 0.000 2.366 81 F HA 0.319 4.837 4.527 -0.014 0.000 0.366 81 F C 0.158 175.994 175.800 0.061 0.000 1.096 81 F CA -0.757 57.244 58.000 0.001 0.000 1.060 81 F CB 1.412 40.376 39.000 -0.060 0.000 1.282 81 F HN -0.129 nan 8.300 nan 0.000 0.450 82 S N 1.117 116.923 115.700 0.175 0.000 2.578 82 S HA 0.319 4.780 4.470 -0.014 0.000 0.283 82 S C 1.014 175.692 174.600 0.131 0.000 1.195 82 S CA -0.462 57.830 58.200 0.153 0.000 1.050 82 S CB 1.344 64.601 63.200 0.095 0.000 1.012 82 S HN 0.523 nan 8.310 nan 0.000 0.511 83 S N 2.569 118.341 115.700 0.119 0.000 2.603 83 S HA 0.060 4.521 4.470 -0.014 0.000 0.220 83 S C 1.547 176.168 174.600 0.034 0.000 0.967 83 S CA -0.074 58.150 58.200 0.040 0.000 0.920 83 S CB -0.161 63.031 63.200 -0.012 0.000 0.773 83 S HN 0.733 nan 8.310 nan 0.000 0.529 84 E N 0.026 120.262 120.200 0.060 0.000 2.160 84 E HA -0.143 4.198 4.350 -0.014 0.000 0.195 84 E C 0.585 177.200 176.600 0.025 0.000 0.991 84 E CA 0.739 57.171 56.400 0.054 0.000 0.810 84 E CB 0.037 29.770 29.700 0.054 0.000 0.742 84 E HN 0.345 nan 8.360 nan 0.000 0.466 85 C N 1.499 120.800 119.300 0.001 0.000 3.188 85 C HA 0.303 4.755 4.460 -0.014 0.000 0.230 85 C C -1.995 172.955 174.990 -0.068 0.000 1.239 85 C CA -1.457 57.540 59.018 -0.034 0.000 1.494 85 C CB 0.295 28.037 27.740 0.004 0.000 1.798 85 C HN 0.133 nan 8.230 nan 0.000 0.458 86 P HA 0.185 nan 4.420 nan 0.000 0.252 86 P C -0.011 177.329 177.300 0.068 0.000 1.218 86 P CA 0.390 63.416 63.100 -0.122 0.000 0.807 86 P CB 0.255 31.786 31.700 -0.283 0.000 1.072 87 F N 0.236 119.957 119.950 -0.382 0.000 2.450 87 F HA 0.408 4.926 4.527 -0.014 0.000 0.332 87 F C 0.783 176.448 175.800 -0.225 0.000 1.093 87 F CA -2.084 55.720 58.000 -0.326 0.000 1.003 87 F CB 0.669 39.391 39.000 -0.463 0.000 1.151 87 F HN -0.342 nan 8.300 nan 0.000 0.474 88 I N 5.440 125.966 120.570 -0.074 0.000 2.392 88 I HA 0.373 4.535 4.170 -0.014 0.000 0.295 88 I C -1.958 174.200 176.117 0.068 0.000 0.985 88 I CA -2.148 59.094 61.300 -0.097 0.000 1.221 88 I CB 1.296 39.098 38.000 -0.330 0.000 1.366 88 I HN 0.353 nan 8.210 nan 0.000 0.467 89 P HA 0.200 nan 4.420 nan 0.000 0.277 89 P C 0.484 177.784 177.300 0.001 0.000 1.271 89 P CA -0.546 62.571 63.100 0.027 0.000 0.795 89 P CB 0.904 32.631 31.700 0.045 0.000 1.101 90 R N 0.741 121.246 120.500 0.008 0.000 2.103 90 R HA -0.167 4.164 4.340 -0.014 0.000 0.242 90 R C 2.003 178.304 176.300 0.002 0.000 1.142 90 R CA 1.936 58.041 56.100 0.010 0.000 0.960 90 R CB -0.260 30.061 30.300 0.035 0.000 0.858 90 R HN 0.546 nan 8.270 nan 0.000 0.439 91 E N -0.113 120.095 120.200 0.012 0.000 2.274 91 E HA -0.112 4.230 4.350 -0.014 0.000 0.194 91 E C 1.574 178.177 176.600 0.007 0.000 0.996 91 E CA 1.081 57.494 56.400 0.021 0.000 0.840 91 E CB -0.084 29.639 29.700 0.038 0.000 0.772 91 E HN 0.439 nan 8.360 nan 0.000 0.491 92 A N 1.831 124.626 122.820 -0.042 0.000 1.929 92 A HA 0.100 4.412 4.320 -0.014 0.000 0.216 92 A C 2.494 179.831 177.584 -0.412 0.000 1.176 92 A CA 1.324 53.222 52.037 -0.232 0.000 0.628 92 A CB -0.970 17.924 19.000 -0.177 0.000 0.816 92 A HN 0.393 nan 8.150 nan 0.000 0.444 93 G N -0.541 108.144 108.800 -0.192 0.000 2.448 93 G HA2 -0.128 3.824 3.960 -0.014 0.000 0.218 93 G HA3 -0.128 3.824 3.960 -0.014 0.000 0.218 93 G C 1.395 176.231 174.900 -0.107 0.000 1.135 93 G CA 0.888 45.882 45.100 -0.177 0.000 0.784 93 G HN 0.634 nan 8.290 nan 0.000 0.543 94 E N 0.372 120.540 120.200 -0.052 0.000 2.072 94 E HA 0.056 4.398 4.350 -0.014 0.000 0.190 94 E C 2.825 179.433 176.600 0.013 0.000 0.982 94 E CA 0.658 57.055 56.400 -0.004 0.000 0.803 94 E CB -0.089 29.621 29.700 0.016 0.000 0.755 94 E HN 0.389 nan 8.360 nan 0.000 0.453 95 A N 0.666 123.502 122.820 0.027 0.000 2.119 95 A HA -0.121 4.190 4.320 -0.014 0.000 0.217 95 A C 0.692 178.335 177.584 0.097 0.000 1.153 95 A CA 0.287 52.388 52.037 0.106 0.000 0.692 95 A CB -0.404 18.753 19.000 0.262 0.000 0.799 95 A HN 0.297 nan 8.150 nan 0.000 0.458 96 Y N 2.108 122.291 120.300 -0.196 0.000 2.537 96 Y HA 0.273 4.814 4.550 -0.014 0.000 0.339 96 Y C 0.191 175.937 175.900 -0.256 0.000 1.066 96 Y CA -0.233 57.645 58.100 -0.369 0.000 1.357 96 Y CB 0.571 38.593 38.460 -0.730 0.000 1.175 96 Y HN 0.424 nan 8.280 nan 0.000 0.525 97 D N 4.055 124.165 120.400 -0.483 0.000 2.636 97 D HA 0.032 4.664 4.640 -0.014 0.000 0.270 97 D C -0.718 175.511 176.300 -0.117 0.000 1.430 97 D CA -0.323 53.570 54.000 -0.178 0.000 0.796 97 D CB -0.848 39.933 40.800 -0.032 0.000 1.117 97 D HN 0.124 nan 8.370 nan 0.000 0.480 98 F N 1.207 120.884 119.950 -0.455 0.000 2.545 98 F HA 0.333 4.853 4.527 -0.013 0.000 0.348 98 F C 1.186 176.904 175.800 -0.135 0.000 1.163 98 F CA -0.957 56.863 58.000 -0.300 0.000 1.331 98 F CB 0.437 39.172 39.000 -0.442 0.000 1.138 98 F HN -0.094 nan 8.300 nan 0.000 0.602 99 I N 4.585 125.199 120.570 0.075 0.000 2.404 99 I HA 0.227 4.389 4.170 -0.014 0.000 0.293 99 I C -1.837 174.283 176.117 0.004 0.000 0.992 99 I CA -1.686 59.572 61.300 -0.071 0.000 1.149 99 I CB 2.410 40.205 38.000 -0.341 0.000 1.315 99 I HN 0.342 nan 8.210 nan 0.000 0.446 100 P HA 0.144 nan 4.420 nan 0.000 0.268 100 P C 0.886 178.327 177.300 0.235 0.000 1.329 100 P CA 0.116 63.271 63.100 0.091 0.000 0.899 100 P CB 0.302 32.082 31.700 0.134 0.000 1.378 101 T N -0.734 113.993 114.554 0.288 0.000 2.995 101 T HA -0.077 4.265 4.350 -0.014 0.000 0.269 101 T C 1.630 176.497 174.700 0.277 0.000 1.091 101 T CA 1.722 64.029 62.100 0.344 0.000 1.128 101 T CB -0.429 68.663 68.868 0.374 0.000 0.891 101 T HN 0.264 nan 8.240 nan 0.000 0.492 102 S N 0.141 116.013 115.700 0.285 0.000 2.575 102 S HA 0.321 4.783 4.470 -0.014 0.000 0.215 102 S C 0.483 175.173 174.600 0.150 0.000 0.966 102 S CA -0.351 57.978 58.200 0.215 0.000 0.911 102 S CB -0.400 62.921 63.200 0.201 0.000 0.780 102 S HN 0.346 nan 8.310 nan 0.000 0.514 103 M N 1.916 121.627 119.600 0.185 0.000 2.578 103 M HA 0.502 4.974 4.480 -0.014 0.000 0.321 103 M C -0.922 175.504 176.300 0.211 0.000 1.182 103 M CA -0.704 54.689 55.300 0.156 0.000 0.965 103 M CB 1.302 33.973 32.600 0.118 0.000 1.694 103 M HN -0.031 nan 8.290 nan 0.000 0.461 104 D N 1.709 122.192 120.400 0.138 0.000 2.340 104 D HA 0.411 5.043 4.640 -0.014 0.000 0.251 104 D C -2.433 173.823 176.300 -0.072 0.000 1.080 104 D CA -1.199 52.853 54.000 0.086 0.000 0.971 104 D CB 0.746 41.616 40.800 0.115 0.000 1.137 104 D HN 0.181 nan 8.370 nan 0.000 0.475 105 P HA 0.075 nan 4.420 nan 0.000 0.266 105 P C -1.915 175.263 177.300 -0.204 0.000 1.195 105 P CA -0.675 62.196 63.100 -0.382 0.000 0.768 105 P CB 0.174 31.404 31.700 -0.783 0.000 0.838 106 P HA -0.002 nan 4.420 nan 0.000 0.245 106 P C 1.044 178.317 177.300 -0.045 0.000 1.199 106 P CA 0.631 63.685 63.100 -0.075 0.000 0.807 106 P CB 0.038 31.724 31.700 -0.024 0.000 1.002 107 E N 1.574 121.777 120.200 0.004 0.000 2.274 107 E HA -0.222 4.120 4.350 -0.014 0.000 0.194 107 E C 1.851 178.545 176.600 0.157 0.000 0.996 107 E CA 0.591 57.031 56.400 0.067 0.000 0.840 107 E CB -0.495 29.273 29.700 0.113 0.000 0.772 107 E HN 0.299 nan 8.360 nan 0.000 0.491 108 Q N 1.148 121.016 119.800 0.113 0.000 2.224 108 Q HA -0.071 4.261 4.340 -0.014 0.000 0.203 108 Q C 2.072 178.150 176.000 0.129 0.000 0.970 108 Q CA 0.879 56.791 55.803 0.182 0.000 0.865 108 Q CB -0.162 28.594 28.738 0.030 0.000 0.922 108 Q HN 0.161 nan 8.270 nan 0.000 0.445 109 R N 0.924 121.417 120.500 -0.011 0.000 2.127 109 R HA -0.178 4.153 4.340 -0.014 0.000 0.238 109 R C 2.418 178.676 176.300 -0.069 0.000 1.134 109 R CA 1.852 57.917 56.100 -0.059 0.000 0.975 109 R CB -0.301 29.947 30.300 -0.086 0.000 0.865 109 R HN 0.735 nan 8.270 nan 0.000 0.447 110 Q N -0.468 119.243 119.800 -0.148 0.000 2.230 110 Q HA -0.087 4.245 4.340 -0.014 0.000 0.202 110 Q C 1.309 177.118 176.000 -0.317 0.000 0.963 110 Q CA 1.213 56.846 55.803 -0.283 0.000 0.866 110 Q CB -0.216 28.258 28.738 -0.441 0.000 0.931 110 Q HN 0.280 nan 8.270 nan 0.000 0.452 111 F N 1.055 120.991 119.950 -0.023 0.000 2.558 111 F HA 0.178 4.697 4.527 -0.013 0.000 0.298 111 F C 2.308 178.101 175.800 -0.012 0.000 1.119 111 F CA 0.327 58.320 58.000 -0.011 0.000 1.451 111 F CB 0.009 39.010 39.000 0.001 0.000 1.091 111 F HN -0.048 nan 8.300 nan 0.000 0.563 112 R N 0.158 120.725 120.500 0.113 0.000 2.092 112 R HA -0.072 4.259 4.340 -0.014 0.000 0.231 112 R C 2.429 178.748 176.300 0.032 0.000 1.119 112 R CA 1.116 57.251 56.100 0.058 0.000 0.970 112 R CB -0.551 29.754 30.300 0.009 0.000 0.864 112 R HN 0.265 nan 8.270 nan 0.000 0.440 113 A N 0.825 123.647 122.820 0.003 0.000 1.969 113 A HA -0.137 4.175 4.320 -0.014 0.000 0.218 113 A C 1.976 179.563 177.584 0.004 0.000 1.169 113 A CA 0.926 52.958 52.037 -0.008 0.000 0.635 113 A CB -0.280 18.701 19.000 -0.032 0.000 0.810 113 A HN 0.234 nan 8.150 nan 0.000 0.445 114 L N -0.457 120.776 121.223 0.017 0.000 2.068 114 L HA 0.107 4.439 4.340 -0.014 0.000 0.204 114 L C 2.634 179.531 176.870 0.044 0.000 1.076 114 L CA 2.014 56.872 54.840 0.030 0.000 0.753 114 L CB -0.796 41.293 42.059 0.049 0.000 0.910 114 L HN 0.291 nan 8.230 nan 0.000 0.439 115 A N -0.485 122.374 122.820 0.065 0.000 1.978 115 A HA -0.270 4.042 4.320 -0.014 0.000 0.220 115 A C 2.120 179.732 177.584 0.047 0.000 1.170 115 A CA 1.916 53.990 52.037 0.061 0.000 0.636 115 A CB -1.022 18.021 19.000 0.072 0.000 0.810 115 A HN 0.610 nan 8.150 nan 0.000 0.448 116 N N -0.422 118.301 118.700 0.038 0.000 2.453 116 N HA -0.100 4.632 4.740 -0.014 0.000 0.183 116 N C 1.742 177.266 175.510 0.023 0.000 1.041 116 N CA 1.011 54.080 53.050 0.032 0.000 0.900 116 N CB -0.191 38.311 38.487 0.024 0.000 0.961 116 N HN 0.646 nan 8.380 nan 0.000 0.443 117 Q N -0.945 118.866 119.800 0.018 0.000 2.311 117 Q HA -0.014 4.318 4.340 -0.014 0.000 0.203 117 Q C 1.622 177.627 176.000 0.008 0.000 0.954 117 Q CA 1.096 56.904 55.803 0.008 0.000 0.885 117 Q CB 0.419 29.159 28.738 0.003 0.000 0.963 117 Q HN 0.430 nan 8.270 nan 0.000 0.471 118 V N -3.402 116.522 119.914 0.018 0.000 3.379 118 V HA 0.093 4.205 4.120 -0.014 0.000 0.249 118 V C 1.517 177.628 176.094 0.028 0.000 1.184 118 V CA 0.432 62.740 62.300 0.013 0.000 1.106 118 V CB 0.521 32.353 31.823 0.015 0.000 0.826 118 V HN 0.193 nan 8.190 nan 0.000 0.465 119 V N -1.923 118.018 119.914 0.046 0.000 3.398 119 V HA 0.730 4.842 4.120 -0.014 0.000 0.298 119 V C 1.005 177.136 176.094 0.061 0.000 1.496 119 V CA 0.351 62.688 62.300 0.061 0.000 1.044 119 V CB -0.433 31.439 31.823 0.080 0.000 0.880 119 V HN 0.440 nan 8.190 nan 0.000 0.443 120 G N -0.148 108.685 108.800 0.054 0.000 2.535 120 G HA2 0.350 4.301 3.960 -0.014 0.000 0.282 120 G HA3 0.350 4.301 3.960 -0.014 0.000 0.282 120 G C 0.496 175.423 174.900 0.044 0.000 1.350 120 G CA 0.041 45.185 45.100 0.075 0.000 1.039 120 G HN 0.189 nan 8.290 nan 0.000 0.509 121 M N 0.203 119.793 119.600 -0.017 0.000 2.108 121 M HA 0.010 4.482 4.480 -0.014 0.000 0.261 121 M C -0.488 175.777 176.300 -0.057 0.000 1.066 121 M CA 1.799 57.034 55.300 -0.107 0.000 1.107 121 M CB -0.680 31.756 32.600 -0.274 0.000 1.356 121 M HN 0.302 nan 8.290 nan 0.000 0.406 122 P HA -0.008 nan 4.420 nan 0.000 0.225 122 P C 1.433 178.723 177.300 -0.017 0.000 1.156 122 P CA 0.881 63.962 63.100 -0.031 0.000 0.787 122 P CB -0.025 31.658 31.700 -0.029 0.000 0.802 123 V N -0.918 118.991 119.914 -0.010 0.000 2.667 123 V HA -0.137 3.975 4.120 -0.014 0.000 0.252 123 V C 2.356 178.450 176.094 0.000 0.000 1.065 123 V CA 1.324 63.621 62.300 -0.005 0.000 1.083 123 V CB -1.077 30.745 31.823 -0.001 0.000 0.692 123 V HN -0.024 nan 8.190 nan 0.000 0.468 124 V N 0.426 120.345 119.914 0.008 0.000 2.295 124 V HA -0.248 3.864 4.120 -0.014 0.000 0.246 124 V C 2.334 178.436 176.094 0.012 0.000 1.049 124 V CA 2.238 64.549 62.300 0.018 0.000 1.024 124 V CB -0.699 31.143 31.823 0.032 0.000 0.648 124 V HN 0.499 nan 8.190 nan 0.000 0.447 125 D N -0.074 120.326 120.400 0.000 0.000 2.133 125 D HA -0.198 4.434 4.640 -0.014 0.000 0.195 125 D C 2.210 178.511 176.300 0.002 0.000 0.997 125 D CA 1.376 55.375 54.000 -0.000 0.000 0.840 125 D CB -0.225 40.568 40.800 -0.012 0.000 0.947 125 D HN 0.361 nan 8.370 nan 0.000 0.452 126 K N -0.200 120.198 120.400 -0.003 0.000 2.057 126 K HA 0.008 4.319 4.320 -0.014 0.000 0.207 126 K C 2.030 178.630 176.600 -0.001 0.000 1.049 126 K CA 0.608 56.892 56.287 -0.004 0.000 0.931 126 K CB -0.031 32.463 32.500 -0.010 0.000 0.714 126 K HN 0.122 nan 8.250 nan 0.000 0.440 127 L N 0.544 121.767 121.223 0.001 0.000 2.418 127 L HA -0.047 4.284 4.340 -0.014 0.000 0.218 127 L C 2.071 178.953 176.870 0.019 0.000 1.125 127 L CA 0.355 55.197 54.840 0.002 0.000 0.835 127 L CB -0.135 41.921 42.059 -0.006 0.000 0.953 127 L HN 0.236 nan 8.230 nan 0.000 0.454 128 E N 0.645 120.861 120.200 0.027 0.000 2.187 128 E HA -0.270 4.071 4.350 -0.014 0.000 0.199 128 E C 1.538 178.169 176.600 0.053 0.000 1.004 128 E CA 1.362 57.789 56.400 0.045 0.000 0.813 128 E CB -0.021 29.703 29.700 0.039 0.000 0.736 128 E HN 0.529 nan 8.360 nan 0.000 0.468 129 N N -0.172 118.551 118.700 0.039 0.000 2.216 129 N HA -0.061 4.671 4.740 -0.014 0.000 0.183 129 N C 1.699 177.239 175.510 0.049 0.000 1.017 129 N CA 0.754 53.829 53.050 0.041 0.000 0.861 129 N CB 0.158 38.661 38.487 0.027 0.000 0.986 129 N HN 0.089 nan 8.380 nan 0.000 0.428 130 R N -0.010 120.515 120.500 0.041 0.000 2.153 130 R HA 0.110 4.441 4.340 -0.014 0.000 0.218 130 R C 1.791 178.135 176.300 0.074 0.000 1.072 130 R CA 0.660 56.786 56.100 0.043 0.000 0.990 130 R CB -0.206 30.103 30.300 0.015 0.000 0.889 130 R HN 0.312 nan 8.270 nan 0.000 0.452 131 I N 1.136 121.756 120.570 0.084 0.000 2.315 131 I HA -0.255 3.907 4.170 -0.014 0.000 0.248 131 I C 2.690 178.965 176.117 0.262 0.000 1.117 131 I CA 1.138 62.531 61.300 0.154 0.000 1.404 131 I CB -0.194 37.884 38.000 0.129 0.000 1.071 131 I HN 0.105 nan 8.210 nan 0.000 0.419 132 Q N 1.499 121.402 119.800 0.171 0.000 1.993 132 Q HA -0.248 4.084 4.340 -0.014 0.000 0.202 132 Q C 2.041 178.123 176.000 0.138 0.000 0.984 132 Q CA 1.883 57.773 55.803 0.146 0.000 0.837 132 Q CB -0.230 28.565 28.738 0.095 0.000 0.902 132 Q HN 0.354 nan 8.270 nan 0.000 0.423 133 E N -0.594 119.673 120.200 0.111 0.000 2.086 133 E HA -0.236 4.106 4.350 -0.014 0.000 0.200 133 E C 1.905 178.577 176.600 0.121 0.000 1.012 133 E CA 1.523 57.979 56.400 0.094 0.000 0.812 133 E CB -0.245 29.497 29.700 0.071 0.000 0.743 133 E HN 0.331 nan 8.360 nan 0.000 0.453 134 L N 0.425 121.751 121.223 0.171 0.000 2.072 134 L HA -0.045 4.286 4.340 -0.014 0.000 0.205 134 L C 2.152 179.180 176.870 0.264 0.000 1.079 134 L CA 1.869 56.834 54.840 0.209 0.000 0.752 134 L CB -0.592 41.602 42.059 0.225 0.000 0.906 134 L HN 0.028 nan 8.230 nan 0.000 0.436 135 A N -0.953 122.052 122.820 0.309 0.000 1.851 135 A HA -0.273 4.038 4.320 -0.014 0.000 0.216 135 A C 2.390 180.060 177.584 0.142 0.000 1.195 135 A CA 2.077 54.208 52.037 0.156 0.000 0.622 135 A CB -1.548 17.477 19.000 0.041 0.000 0.831 135 A HN 0.616 nan 8.150 nan 0.000 0.444 136 C N -0.976 118.383 119.300 0.098 0.000 2.413 136 C HA -0.060 4.392 4.460 -0.014 0.000 0.277 136 C C 3.306 178.325 174.990 0.049 0.000 1.265 136 C CA 1.350 60.397 59.018 0.048 0.000 1.752 136 C CB -1.311 26.452 27.740 0.038 0.000 1.998 136 C HN 0.704 nan 8.230 nan 0.000 0.489 137 S N 0.168 115.915 115.700 0.078 0.000 2.368 137 S HA -0.086 4.375 4.470 -0.014 0.000 0.224 137 S C 1.724 176.374 174.600 0.084 0.000 1.029 137 S CA 1.108 59.350 58.200 0.070 0.000 0.988 137 S CB -0.210 63.035 63.200 0.075 0.000 0.838 137 S HN 0.408 nan 8.310 nan 0.000 0.462 138 L N 1.440 122.744 121.223 0.134 0.000 2.072 138 L HA 0.229 4.560 4.340 -0.014 0.000 0.205 138 L C 2.132 179.099 176.870 0.162 0.000 1.079 138 L CA 1.441 56.386 54.840 0.175 0.000 0.752 138 L CB -0.773 41.440 42.059 0.256 0.000 0.906 138 L HN 0.392 nan 8.230 nan 0.000 0.436 139 I N -1.086 119.550 120.570 0.110 0.000 2.286 139 I HA -0.217 3.944 4.170 -0.014 0.000 0.245 139 I C 2.322 178.356 176.117 -0.137 0.000 1.104 139 I CA 0.826 62.076 61.300 -0.083 0.000 1.397 139 I CB -0.179 37.696 38.000 -0.209 0.000 1.072 139 I HN 0.200 nan 8.210 nan 0.000 0.417 140 E N 0.964 121.122 120.200 -0.072 0.000 2.265 140 E HA -0.149 4.193 4.350 -0.014 0.000 0.196 140 E C 2.097 178.689 176.600 -0.013 0.000 0.996 140 E CA 1.193 57.558 56.400 -0.058 0.000 0.832 140 E CB -0.004 29.678 29.700 -0.031 0.000 0.756 140 E HN 0.292 nan 8.360 nan 0.000 0.491 141 S N -0.457 115.256 115.700 0.021 0.000 2.395 141 S HA 0.036 4.497 4.470 -0.014 0.000 0.225 141 S C 1.678 176.322 174.600 0.073 0.000 1.027 141 S CA 0.628 58.857 58.200 0.048 0.000 0.965 141 S CB -0.041 63.197 63.200 0.064 0.000 0.812 141 S HN 0.284 nan 8.310 nan 0.000 0.482 142 L N 0.747 122.023 121.223 0.087 0.000 2.418 142 L HA 0.162 4.493 4.340 -0.014 0.000 0.218 142 L C 2.560 179.579 176.870 0.248 0.000 1.125 142 L CA 0.370 55.319 54.840 0.182 0.000 0.835 142 L CB -0.311 41.891 42.059 0.238 0.000 0.953 142 L HN 0.208 nan 8.230 nan 0.000 0.454 143 R N 1.025 121.569 120.500 0.073 0.000 2.073 143 R HA -0.127 4.205 4.340 -0.014 0.000 0.234 143 R C -0.516 175.927 176.300 0.238 0.000 1.134 143 R CA 1.552 57.684 56.100 0.053 0.000 0.952 143 R CB -0.917 29.306 30.300 -0.128 0.000 0.850 143 R HN 0.242 nan 8.270 nan 0.000 0.433 144 P HA -0.083 nan 4.420 nan 0.000 0.230 144 P C 0.534 177.897 177.300 0.104 0.000 1.158 144 P CA 1.107 64.275 63.100 0.112 0.000 0.769 144 P CB -0.008 31.727 31.700 0.058 0.000 0.807 145 Q N -0.859 119.017 119.800 0.126 0.000 2.172 145 Q HA 0.047 4.379 4.340 -0.014 0.000 0.200 145 Q C 1.617 177.518 176.000 -0.165 0.000 0.964 145 Q CA 1.127 56.938 55.803 0.013 0.000 0.855 145 Q CB -0.435 28.329 28.738 0.044 0.000 0.918 145 Q HN 0.284 nan 8.270 nan 0.000 0.444 146 G N 1.043 109.648 108.800 -0.325 0.000 2.205 146 G HA2 -0.313 3.639 3.960 -0.014 0.000 0.261 146 G HA3 -0.313 3.639 3.960 -0.014 0.000 0.261 146 G C 0.001 173.979 174.900 -1.537 0.000 0.980 146 G CA 0.704 45.221 45.100 -0.972 0.000 0.632 146 G HN 0.454 nan 8.290 nan 0.000 0.533 147 Q N -1.445 117.635 119.800 -1.201 0.000 2.578 147 Q HA 0.648 4.980 4.340 -0.014 0.000 0.284 147 Q C -0.422 175.414 176.000 -0.274 0.000 0.960 147 Q CA -0.747 54.566 55.803 -0.816 0.000 0.809 147 Q CB 1.665 30.176 28.738 -0.378 0.000 1.462 147 Q HN 1.470 nan 8.270 nan 0.000 0.392 148 C N -0.240 119.070 119.300 0.017 0.000 3.284 148 C HA 0.676 5.127 4.460 -0.014 0.000 0.338 148 C C -1.379 173.733 174.990 0.203 0.000 1.237 148 C CA -0.938 58.205 59.018 0.207 0.000 1.276 148 C CB 1.254 29.262 27.740 0.446 0.000 1.601 148 C HN 0.973 nan 8.230 nan 0.000 0.494 149 N N 1.149 119.942 118.700 0.155 0.000 2.439 149 N HA 0.226 4.958 4.740 -0.014 0.000 0.243 149 N C 0.241 175.860 175.510 0.181 0.000 1.088 149 N CA -1.063 52.076 53.050 0.148 0.000 0.940 149 N CB -0.013 38.526 38.487 0.087 0.000 1.180 149 N HN 0.729 nan 8.380 nan 0.000 0.505 150 F N 2.988 122.987 119.950 0.082 0.000 2.154 150 F HA -0.248 4.270 4.527 -0.014 0.000 0.301 150 F C 2.276 178.106 175.800 0.050 0.000 1.087 150 F CA 2.204 60.238 58.000 0.057 0.000 1.274 150 F CB -0.418 38.550 39.000 -0.054 0.000 1.009 150 F HN 0.592 nan 8.300 nan 0.000 0.485 151 T N -2.350 112.232 114.554 0.046 0.000 2.708 151 T HA -0.219 4.122 4.350 -0.014 0.000 0.266 151 T C 1.812 176.460 174.700 -0.086 0.000 1.037 151 T CA 1.678 63.752 62.100 -0.044 0.000 1.146 151 T CB -0.740 68.130 68.868 0.005 0.000 0.865 151 T HN 0.450 nan 8.240 nan 0.000 0.435 152 E N 0.990 121.172 120.200 -0.031 0.000 2.107 152 E HA -0.100 4.242 4.350 -0.014 0.000 0.191 152 E C 1.933 178.514 176.600 -0.032 0.000 0.982 152 E CA 1.288 57.676 56.400 -0.020 0.000 0.809 152 E CB -0.060 29.648 29.700 0.014 0.000 0.756 152 E HN 0.536 nan 8.360 nan 0.000 0.459 153 D N -1.389 118.995 120.400 -0.026 0.000 2.271 153 D HA -0.037 4.594 4.640 -0.014 0.000 0.206 153 D C 1.011 177.317 176.300 0.010 0.000 0.967 153 D CA 0.792 54.808 54.000 0.026 0.000 0.867 153 D CB 0.237 41.108 40.800 0.118 0.000 0.960 153 D HN 0.168 nan 8.370 nan 0.000 0.509 154 Y N -0.059 120.033 120.300 -0.348 0.000 2.912 154 Y HA 0.371 4.912 4.550 -0.014 0.000 0.250 154 Y C 2.007 177.676 175.900 -0.384 0.000 1.073 154 Y CA 0.533 58.389 58.100 -0.407 0.000 1.275 154 Y CB -0.110 37.961 38.460 -0.650 0.000 1.470 154 Y HN -0.130 nan 8.280 nan 0.000 0.447 155 A N 0.658 123.175 122.820 -0.505 0.000 1.940 155 A HA -0.168 4.144 4.320 -0.014 0.000 0.219 155 A C 1.824 179.334 177.584 -0.124 0.000 1.176 155 A CA 2.237 54.130 52.037 -0.241 0.000 0.631 155 A CB -0.508 18.383 19.000 -0.182 0.000 0.814 155 A HN 0.660 nan 8.150 nan 0.000 0.446 156 E N -0.899 119.220 120.200 -0.135 0.000 2.042 156 E HA -0.062 4.280 4.350 -0.014 0.000 0.189 156 E C -0.619 175.929 176.600 -0.086 0.000 0.974 156 E CA 0.751 57.101 56.400 -0.083 0.000 0.806 156 E CB -0.624 29.041 29.700 -0.059 0.000 0.769 156 E HN 0.415 nan 8.360 nan 0.000 0.451 157 P HA -0.163 nan 4.420 nan 0.000 0.218 157 P C 1.080 178.324 177.300 -0.093 0.000 1.149 157 P CA 0.961 64.013 63.100 -0.079 0.000 0.817 157 P CB -0.016 31.645 31.700 -0.065 0.000 0.785 158 F N 1.295 121.028 119.950 -0.360 0.000 2.084 158 F HA -0.007 4.512 4.527 -0.013 0.000 0.296 158 F C -1.010 174.685 175.800 -0.175 0.000 1.111 158 F CA 1.355 59.123 58.000 -0.386 0.000 1.224 158 F CB -1.699 36.795 39.000 -0.843 0.000 0.991 158 F HN -0.018 nan 8.300 nan 0.000 0.471 159 P HA -0.069 nan 4.420 nan 0.000 0.218 159 P C 2.069 179.273 177.300 -0.161 0.000 1.152 159 P CA 1.741 64.653 63.100 -0.313 0.000 0.826 159 P CB -0.038 31.602 31.700 -0.101 0.000 0.790 160 I N -0.821 119.693 120.570 -0.093 0.000 2.252 160 I HA -0.197 3.964 4.170 -0.014 0.000 0.245 160 I C 2.470 178.596 176.117 0.014 0.000 1.102 160 I CA 1.367 62.661 61.300 -0.010 0.000 1.385 160 I CB -0.397 37.594 38.000 -0.016 0.000 1.064 160 I HN -0.160 nan 8.210 nan 0.000 0.414 161 R N 0.654 121.126 120.500 -0.047 0.000 2.120 161 R HA -0.084 4.248 4.340 -0.014 0.000 0.234 161 R C 2.272 178.536 176.300 -0.060 0.000 1.123 161 R CA 1.251 57.327 56.100 -0.040 0.000 0.975 161 R CB -0.182 30.092 30.300 -0.044 0.000 0.866 161 R HN 0.347 nan 8.270 nan 0.000 0.446 162 I N -0.585 119.916 120.570 -0.116 0.000 2.315 162 I HA -0.251 3.910 4.170 -0.014 0.000 0.248 162 I C 1.899 177.983 176.117 -0.055 0.000 1.117 162 I CA 0.955 62.181 61.300 -0.122 0.000 1.404 162 I CB -0.147 37.712 38.000 -0.235 0.000 1.071 162 I HN 0.110 nan 8.210 nan 0.000 0.419 163 F N 1.154 121.036 119.950 -0.114 0.000 2.186 163 F HA -0.195 4.323 4.527 -0.014 0.000 0.299 163 F C 2.441 178.214 175.800 -0.045 0.000 1.090 163 F CA 1.441 59.398 58.000 -0.073 0.000 1.307 163 F CB -0.058 38.902 39.000 -0.067 0.000 1.019 163 F HN -0.068 nan 8.300 nan 0.000 0.489 164 M N -0.357 119.213 119.600 -0.049 0.000 2.229 164 M HA -0.149 4.323 4.480 -0.014 0.000 0.264 164 M C 2.285 178.503 176.300 -0.135 0.000 1.063 164 M CA 0.943 56.194 55.300 -0.081 0.000 1.114 164 M CB -1.327 31.285 32.600 0.019 0.000 1.387 164 M HN 0.234 nan 8.290 nan 0.000 0.420 165 L N 0.267 121.416 121.223 -0.122 0.000 2.027 165 L HA -0.168 4.163 4.340 -0.014 0.000 0.206 165 L C 2.345 179.120 176.870 -0.157 0.000 1.074 165 L CA 1.487 56.262 54.840 -0.109 0.000 0.745 165 L CB -0.855 41.156 42.059 -0.080 0.000 0.898 165 L HN 0.245 nan 8.230 nan 0.000 0.433 166 L N 0.552 121.638 121.223 -0.229 0.000 2.046 166 L HA -0.100 4.232 4.340 -0.014 0.000 0.208 166 L C 2.257 178.937 176.870 -0.315 0.000 1.077 166 L CA 2.175 56.859 54.840 -0.260 0.000 0.747 166 L CB -0.737 41.143 42.059 -0.298 0.000 0.896 166 L HN 0.237 nan 8.230 nan 0.000 0.432 167 A N -1.482 121.061 122.820 -0.462 0.000 2.308 167 A HA 0.450 4.761 4.320 -0.014 0.000 0.217 167 A C 1.527 178.998 177.584 -0.188 0.000 1.216 167 A CA 0.432 52.240 52.037 -0.380 0.000 0.864 167 A CB -0.759 17.888 19.000 -0.589 0.000 0.902 167 A HN 0.764 nan 8.150 nan 0.000 0.499 168 G N -0.253 108.455 108.800 -0.152 0.000 2.273 168 G HA2 -0.225 3.727 3.960 -0.014 0.000 0.280 168 G HA3 -0.225 3.727 3.960 -0.014 0.000 0.280 168 G C -0.071 174.802 174.900 -0.045 0.000 1.047 168 G CA 0.681 45.731 45.100 -0.083 0.000 0.869 168 G HN 0.493 nan 8.290 nan 0.000 0.502 169 L N 0.387 121.594 121.223 -0.026 0.000 2.334 169 L HA 0.588 4.920 4.340 -0.014 0.000 0.272 169 L C -1.510 175.387 176.870 0.044 0.000 1.020 169 L CA -2.531 52.335 54.840 0.043 0.000 0.812 169 L CB 1.494 43.630 42.059 0.128 0.000 1.264 169 L HN -0.059 nan 8.230 nan 0.000 0.439 170 P HA 0.098 nan 4.420 nan 0.000 0.271 170 P C -0.224 177.113 177.300 0.062 0.000 1.218 170 P CA -0.227 62.904 63.100 0.052 0.000 0.780 170 P CB 0.981 32.713 31.700 0.053 0.000 0.901 171 E N 1.342 121.567 120.200 0.040 0.000 2.208 171 E HA -0.173 4.168 4.350 -0.014 0.000 0.193 171 E C 1.471 178.096 176.600 0.042 0.000 0.988 171 E CA 0.974 57.396 56.400 0.037 0.000 0.828 171 E CB 0.062 29.776 29.700 0.022 0.000 0.763 171 E HN 0.655 nan 8.360 nan 0.000 0.478 172 E N 0.991 121.217 120.200 0.043 0.000 2.396 172 E HA -0.190 4.152 4.350 -0.014 0.000 0.200 172 E C 0.841 177.477 176.600 0.060 0.000 1.023 172 E CA 1.003 57.430 56.400 0.044 0.000 0.857 172 E CB -0.024 29.698 29.700 0.037 0.000 0.775 172 E HN 0.104 nan 8.360 nan 0.000 0.525 173 D N 0.383 120.833 120.400 0.083 0.000 2.340 173 D HA 0.109 4.740 4.640 -0.014 0.000 0.220 173 D C 1.572 177.913 176.300 0.067 0.000 1.039 173 D CA 0.147 54.212 54.000 0.108 0.000 0.866 173 D CB 0.090 41.002 40.800 0.188 0.000 0.913 173 D HN 0.279 nan 8.370 nan 0.000 0.523 174 I N 1.329 121.929 120.570 0.051 0.000 2.226 174 I HA -0.178 3.983 4.170 -0.014 0.000 0.245 174 I C -0.611 175.522 176.117 0.026 0.000 1.100 174 I CA 1.058 62.375 61.300 0.028 0.000 1.374 174 I CB -1.095 36.920 38.000 0.026 0.000 1.057 174 I HN -0.005 nan 8.210 nan 0.000 0.413 175 P HA -0.216 nan 4.420 nan 0.000 0.215 175 P C 1.483 178.831 177.300 0.080 0.000 1.157 175 P CA 1.643 64.776 63.100 0.055 0.000 0.868 175 P CB -0.074 31.656 31.700 0.050 0.000 0.788 176 H N -0.468 118.598 119.070 -0.007 0.000 2.321 176 H HA -0.050 4.497 4.556 -0.014 0.000 0.300 176 H C 1.813 177.134 175.328 -0.012 0.000 1.087 176 H CA 1.524 57.566 56.048 -0.009 0.000 1.319 176 H CB -0.996 28.744 29.762 -0.036 0.000 1.379 176 H HN -0.041 nan 8.280 nan 0.000 0.501 177 L N -0.200 120.918 121.223 -0.176 0.000 2.093 177 L HA -0.110 4.221 4.340 -0.014 0.000 0.208 177 L C 2.499 179.269 176.870 -0.167 0.000 1.085 177 L CA 1.466 56.145 54.840 -0.268 0.000 0.755 177 L CB -0.357 41.560 42.059 -0.236 0.000 0.904 177 L HN 0.213 nan 8.230 nan 0.000 0.435 178 K N 0.039 120.392 120.400 -0.078 0.000 2.097 178 K HA -0.243 4.069 4.320 -0.014 0.000 0.205 178 K C 2.121 178.695 176.600 -0.043 0.000 1.050 178 K CA 1.489 57.746 56.287 -0.049 0.000 0.938 178 K CB -0.578 31.915 32.500 -0.012 0.000 0.718 178 K HN 0.209 nan 8.250 nan 0.000 0.442 179 Y N 0.739 120.968 120.300 -0.119 0.000 2.128 179 Y HA -0.162 4.379 4.550 -0.014 0.000 0.284 179 Y C 1.604 177.427 175.900 -0.129 0.000 1.154 179 Y CA 1.948 59.984 58.100 -0.105 0.000 1.149 179 Y CB -0.195 38.206 38.460 -0.098 0.000 0.976 179 Y HN 0.024 nan 8.280 nan 0.000 0.505 180 L N -0.831 120.263 121.223 -0.216 0.000 2.046 180 L HA -0.238 4.094 4.340 -0.014 0.000 0.208 180 L C 2.347 179.063 176.870 -0.257 0.000 1.077 180 L CA 1.835 56.508 54.840 -0.280 0.000 0.747 180 L CB -0.938 40.966 42.059 -0.259 0.000 0.896 180 L HN 0.223 nan 8.230 nan 0.000 0.432 181 T N -1.023 113.417 114.554 -0.190 0.000 2.746 181 T HA -0.185 4.157 4.350 -0.014 0.000 0.267 181 T C 1.389 176.038 174.700 -0.085 0.000 1.039 181 T CA 1.549 63.584 62.100 -0.108 0.000 1.142 181 T CB -0.252 68.561 68.868 -0.091 0.000 0.866 181 T HN 0.290 nan 8.240 nan 0.000 0.444 182 D N 0.782 121.093 120.400 -0.149 0.000 2.264 182 D HA -0.036 4.596 4.640 -0.014 0.000 0.208 182 D C 2.337 178.553 176.300 -0.140 0.000 0.966 182 D CA 0.583 54.510 54.000 -0.121 0.000 0.864 182 D CB -0.174 40.541 40.800 -0.142 0.000 0.933 182 D HN 0.251 nan 8.370 nan 0.000 0.499 183 Q N -0.485 119.164 119.800 -0.252 0.000 2.297 183 Q HA 0.078 4.410 4.340 -0.014 0.000 0.204 183 Q C 2.049 178.029 176.000 -0.033 0.000 0.962 183 Q CA 0.484 56.162 55.803 -0.208 0.000 0.879 183 Q CB -0.122 28.421 28.738 -0.324 0.000 0.947 183 Q HN 0.435 nan 8.270 nan 0.000 0.462 184 M N -0.208 119.411 119.600 0.033 0.000 2.349 184 M HA -0.067 4.405 4.480 -0.014 0.000 0.266 184 M C 1.862 178.395 176.300 0.389 0.000 1.076 184 M CA 1.649 57.129 55.300 0.300 0.000 1.126 184 M CB -0.019 32.756 32.600 0.292 0.000 1.392 184 M HN 0.236 nan 8.290 nan 0.000 0.440 185 T N -2.188 112.493 114.554 0.211 0.000 3.046 185 T HA 0.157 4.499 4.350 -0.014 0.000 0.242 185 T C 1.030 175.831 174.700 0.167 0.000 1.018 185 T CA -0.012 62.187 62.100 0.164 0.000 1.131 185 T CB 0.095 69.035 68.868 0.119 0.000 0.904 185 T HN 0.227 nan 8.240 nan 0.000 0.459 186 R N 2.427 122.996 120.500 0.114 0.000 2.585 186 R HA 0.365 4.696 4.340 -0.014 0.000 0.278 186 R C -2.958 173.354 176.300 0.020 0.000 1.663 186 R CA -1.696 54.476 56.100 0.120 0.000 1.592 186 R CB 1.418 31.779 30.300 0.101 0.000 1.200 186 R HN 0.370 nan 8.270 nan 0.000 0.611 187 P HA 0.026 nan 4.420 nan 0.000 0.271 187 P C -0.404 176.845 177.300 -0.085 0.000 1.216 187 P CA -0.050 62.992 63.100 -0.097 0.000 0.776 187 P CB 1.011 32.623 31.700 -0.147 0.000 0.881 188 D N 0.751 121.116 120.400 -0.058 0.000 2.369 188 D HA 0.139 4.770 4.640 -0.014 0.000 0.211 188 D C 1.315 177.603 176.300 -0.020 0.000 1.077 188 D CA 0.181 54.166 54.000 -0.025 0.000 0.842 188 D CB -0.353 40.454 40.800 0.010 0.000 0.947 188 D HN 0.610 nan 8.370 nan 0.000 0.509 189 G N 0.173 108.952 108.800 -0.035 0.000 2.176 189 G HA2 -0.337 3.615 3.960 -0.014 0.000 0.232 189 G HA3 -0.337 3.615 3.960 -0.014 0.000 0.232 189 G C 1.177 176.079 174.900 0.003 0.000 0.986 189 G CA 0.649 45.734 45.100 -0.024 0.000 0.643 189 G HN 0.639 nan 8.290 nan 0.000 0.522 190 S N -1.032 114.683 115.700 0.024 0.000 2.458 190 S HA 0.553 5.015 4.470 -0.014 0.000 0.223 190 S C 0.957 175.588 174.600 0.051 0.000 1.019 190 S CA 0.797 59.029 58.200 0.053 0.000 0.937 190 S CB 0.238 63.503 63.200 0.108 0.000 0.788 190 S HN 0.472 nan 8.310 nan 0.000 0.511 191 M N 2.350 121.967 119.600 0.029 0.000 2.457 191 M HA 0.351 4.823 4.480 -0.014 0.000 0.300 191 M C -0.604 175.694 176.300 -0.003 0.000 1.141 191 M CA -0.560 54.748 55.300 0.014 0.000 0.901 191 M CB 2.595 35.197 32.600 0.004 0.000 1.687 191 M HN 0.278 nan 8.290 nan 0.000 0.449 192 T N -1.224 113.334 114.554 0.007 0.000 2.882 192 T HA 0.241 4.583 4.350 -0.014 0.000 0.287 192 T C 0.799 175.523 174.700 0.041 0.000 1.014 192 T CA -0.505 61.616 62.100 0.036 0.000 1.049 192 T CB 0.793 69.690 68.868 0.047 0.000 1.001 192 T HN 0.586 nan 8.240 nan 0.000 0.525 193 F N 1.820 121.758 119.950 -0.021 0.000 2.120 193 F HA -0.068 4.450 4.527 -0.015 0.000 0.300 193 F C 2.511 178.280 175.800 -0.053 0.000 1.095 193 F CA 2.005 59.997 58.000 -0.014 0.000 1.249 193 F CB -0.883 38.138 39.000 0.036 0.000 0.995 193 F HN 0.762 nan 8.300 nan 0.000 0.480 194 A N -0.036 122.833 122.820 0.080 0.000 1.902 194 A HA -0.213 4.099 4.320 -0.014 0.000 0.217 194 A C 2.105 179.610 177.584 -0.131 0.000 1.181 194 A CA 1.927 53.953 52.037 -0.018 0.000 0.623 194 A CB -0.850 18.190 19.000 0.067 0.000 0.818 194 A HN 0.587 nan 8.150 nan 0.000 0.443 195 E N -0.353 119.793 120.200 -0.090 0.000 2.107 195 E HA -0.034 4.308 4.350 -0.014 0.000 0.191 195 E C 2.300 178.819 176.600 -0.135 0.000 0.982 195 E CA 0.772 57.125 56.400 -0.078 0.000 0.809 195 E CB -0.256 29.428 29.700 -0.027 0.000 0.756 195 E HN 0.622 nan 8.360 nan 0.000 0.459 196 A N 1.880 124.570 122.820 -0.217 0.000 1.898 196 A HA -0.217 4.094 4.320 -0.014 0.000 0.216 196 A C 2.086 179.456 177.584 -0.356 0.000 1.181 196 A CA 1.478 53.356 52.037 -0.266 0.000 0.620 196 A CB -0.336 18.472 19.000 -0.320 0.000 0.819 196 A HN 0.040 nan 8.150 nan 0.000 0.442 197 K N -0.346 119.722 120.400 -0.553 0.000 2.057 197 K HA -0.183 4.129 4.320 -0.014 0.000 0.207 197 K C 2.062 178.293 176.600 -0.614 0.000 1.049 197 K CA 1.621 57.504 56.287 -0.674 0.000 0.931 197 K CB -0.188 31.805 32.500 -0.846 0.000 0.714 197 K HN 0.604 nan 8.250 nan 0.000 0.440 198 E N -0.227 119.769 120.200 -0.340 0.000 2.150 198 E HA -0.149 4.192 4.350 -0.014 0.000 0.193 198 E C 1.602 178.187 176.600 -0.025 0.000 0.985 198 E CA 0.858 57.185 56.400 -0.121 0.000 0.814 198 E CB 0.010 29.690 29.700 -0.034 0.000 0.752 198 E HN 0.423 nan 8.360 nan 0.000 0.466 199 A N 0.700 123.487 122.820 -0.055 0.000 2.016 199 A HA -0.075 4.237 4.320 -0.014 0.000 0.217 199 A C 2.017 179.645 177.584 0.072 0.000 1.162 199 A CA 0.517 52.577 52.037 0.038 0.000 0.662 199 A CB -0.306 18.716 19.000 0.037 0.000 0.812 199 A HN 0.320 nan 8.150 nan 0.000 0.450 200 L N -1.574 119.625 121.223 -0.039 0.000 2.109 200 L HA -0.070 4.262 4.340 -0.014 0.000 0.207 200 L C 2.193 179.200 176.870 0.228 0.000 1.086 200 L CA 1.642 56.492 54.840 0.016 0.000 0.760 200 L CB -0.557 41.436 42.059 -0.110 0.000 0.910 200 L HN 0.443 nan 8.230 nan 0.000 0.437 201 Y N -0.420 119.935 120.300 0.090 0.000 2.200 201 Y HA -0.203 4.338 4.550 -0.014 0.000 0.290 201 Y C 2.501 178.459 175.900 0.097 0.000 1.137 201 Y CA 1.084 59.236 58.100 0.087 0.000 1.163 201 Y CB -1.107 37.388 38.460 0.058 0.000 0.988 201 Y HN 0.375 nan 8.280 nan 0.000 0.518 202 D N -0.975 119.585 120.400 0.266 0.000 2.190 202 D HA -0.275 4.357 4.640 -0.014 0.000 0.200 202 D C 2.104 178.523 176.300 0.199 0.000 0.992 202 D CA 1.198 55.310 54.000 0.187 0.000 0.854 202 D CB -0.347 40.546 40.800 0.155 0.000 0.936 202 D HN 0.377 nan 8.370 nan 0.000 0.462 203 Y N 0.149 120.522 120.300 0.122 0.000 2.220 203 Y HA 0.026 4.567 4.550 -0.015 0.000 0.291 203 Y C 1.868 177.819 175.900 0.085 0.000 1.129 203 Y CA 1.226 59.391 58.100 0.108 0.000 1.161 203 Y CB -0.089 38.459 38.460 0.146 0.000 0.997 203 Y HN 0.002 nan 8.280 nan 0.000 0.522 204 L N -0.530 120.827 121.223 0.223 0.000 2.131 204 L HA -0.142 4.189 4.340 -0.014 0.000 0.206 204 L C 2.317 179.185 176.870 -0.002 0.000 1.087 204 L CA 0.900 55.803 54.840 0.104 0.000 0.767 204 L CB -0.426 41.751 42.059 0.196 0.000 0.917 204 L HN 0.253 nan 8.230 nan 0.000 0.441 205 I N 0.250 120.831 120.570 0.018 0.000 2.118 205 I HA -0.259 3.903 4.170 -0.014 0.000 0.241 205 I C -0.361 175.732 176.117 -0.040 0.000 1.070 205 I CA 1.709 62.999 61.300 -0.017 0.000 1.327 205 I CB -1.458 36.541 38.000 -0.002 0.000 1.034 205 I HN 0.203 nan 8.210 nan 0.000 0.405 206 P HA -0.154 nan 4.420 nan 0.000 0.218 206 P C 1.770 179.018 177.300 -0.087 0.000 1.148 206 P CA 1.602 64.661 63.100 -0.070 0.000 0.822 206 P CB -0.017 31.633 31.700 -0.084 0.000 0.784 207 I N -1.927 118.572 120.570 -0.118 0.000 2.406 207 I HA -0.129 4.033 4.170 -0.014 0.000 0.249 207 I C 2.110 178.185 176.117 -0.069 0.000 1.122 207 I CA 0.961 62.191 61.300 -0.117 0.000 1.431 207 I CB -0.306 37.590 38.000 -0.173 0.000 1.087 207 I HN -0.146 nan 8.210 nan 0.000 0.424 208 I N 0.544 121.082 120.570 -0.054 0.000 2.353 208 I HA -0.226 3.935 4.170 -0.014 0.000 0.248 208 I C 2.387 178.482 176.117 -0.036 0.000 1.119 208 I CA 1.180 62.458 61.300 -0.038 0.000 1.417 208 I CB -0.067 37.913 38.000 -0.033 0.000 1.078 208 I HN 0.118 nan 8.210 nan 0.000 0.421 209 E N 0.317 120.494 120.200 -0.039 0.000 2.106 209 E HA -0.249 4.093 4.350 -0.014 0.000 0.192 209 E C 2.147 178.727 176.600 -0.033 0.000 0.984 209 E CA 0.962 57.342 56.400 -0.033 0.000 0.806 209 E CB -0.064 29.617 29.700 -0.032 0.000 0.750 209 E HN 0.324 nan 8.360 nan 0.000 0.458 210 Q N 0.180 119.956 119.800 -0.041 0.000 2.079 210 Q HA -0.116 4.215 4.340 -0.014 0.000 0.200 210 Q C 1.518 177.498 176.000 -0.034 0.000 0.974 210 Q CA 1.232 57.011 55.803 -0.039 0.000 0.840 210 Q CB 0.089 28.797 28.738 -0.050 0.000 0.898 210 Q HN 0.136 nan 8.270 nan 0.000 0.430 211 R N -0.635 119.844 120.500 -0.035 0.000 2.317 211 R HA 0.138 4.470 4.340 -0.014 0.000 0.208 211 R C 1.889 178.174 176.300 -0.025 0.000 0.914 211 R CA 0.027 56.109 56.100 -0.031 0.000 1.060 211 R CB 0.333 30.613 30.300 -0.033 0.000 1.015 211 R HN 0.108 nan 8.270 nan 0.000 0.498 212 R N 0.213 120.698 120.500 -0.024 0.000 2.223 212 R HA -0.036 4.295 4.340 -0.014 0.000 0.198 212 R C 2.001 178.291 176.300 -0.018 0.000 0.984 212 R CA 0.741 56.830 56.100 -0.019 0.000 1.018 212 R CB 0.274 30.563 30.300 -0.019 0.000 0.945 212 R HN 0.295 nan 8.270 nan 0.000 0.479 213 Q N 0.514 120.302 119.800 -0.020 0.000 2.339 213 Q HA 0.040 4.371 4.340 -0.014 0.000 0.205 213 Q C 0.488 176.477 176.000 -0.018 0.000 0.925 213 Q CA 0.837 56.629 55.803 -0.018 0.000 0.898 213 Q CB 0.490 29.217 28.738 -0.019 0.000 1.013 213 Q HN -0.087 nan 8.270 nan 0.000 0.504 214 K N 1.772 122.160 120.400 -0.021 0.000 2.752 214 K HA 0.394 4.706 4.320 -0.014 0.000 0.199 214 K C -2.801 173.786 176.600 -0.022 0.000 1.069 214 K CA -1.930 54.345 56.287 -0.020 0.000 1.033 214 K CB 1.729 34.216 32.500 -0.021 0.000 1.229 214 K HN -0.017 nan 8.250 nan 0.000 0.572 215 P HA 0.127 nan 4.420 nan 0.000 0.271 215 P C -0.140 177.147 177.300 -0.022 0.000 1.220 215 P CA -0.119 62.969 63.100 -0.021 0.000 0.768 215 P CB 1.440 33.129 31.700 -0.018 0.000 0.848 216 G N 0.887 109.671 108.800 -0.026 0.000 2.857 216 G HA2 0.437 4.389 3.960 -0.014 0.000 0.217 216 G HA3 0.437 4.389 3.960 -0.014 0.000 0.217 216 G C 0.409 175.292 174.900 -0.028 0.000 1.357 216 G CA -0.327 44.757 45.100 -0.027 0.000 1.033 216 G HN 0.404 nan 8.290 nan 0.000 0.571 217 T N -1.358 113.177 114.554 -0.031 0.000 3.054 217 T HA 0.177 4.519 4.350 -0.014 0.000 0.255 217 T C 0.585 175.260 174.700 -0.041 0.000 1.035 217 T CA 0.310 62.391 62.100 -0.032 0.000 0.941 217 T CB -0.246 68.605 68.868 -0.029 0.000 1.026 217 T HN 0.609 nan 8.240 nan 0.000 0.533 218 D N 1.317 121.687 120.400 -0.050 0.000 2.384 218 D HA 0.275 4.907 4.640 -0.014 0.000 0.244 218 D C 1.471 177.729 176.300 -0.069 0.000 1.251 218 D CA -0.052 53.907 54.000 -0.070 0.000 0.961 218 D CB 1.177 41.930 40.800 -0.078 0.000 1.116 218 D HN 0.108 nan 8.370 nan 0.000 0.484 219 A N 0.641 123.401 122.820 -0.099 0.000 1.902 219 A HA -0.119 4.193 4.320 -0.014 0.000 0.217 219 A C 2.409 179.963 177.584 -0.050 0.000 1.181 219 A CA 0.983 52.971 52.037 -0.083 0.000 0.623 219 A CB -0.695 18.223 19.000 -0.137 0.000 0.818 219 A HN 0.655 nan 8.150 nan 0.000 0.443 220 I N -0.265 120.272 120.570 -0.055 0.000 2.315 220 I HA -0.180 3.982 4.170 -0.014 0.000 0.248 220 I C 2.458 178.562 176.117 -0.022 0.000 1.117 220 I CA 1.330 62.614 61.300 -0.026 0.000 1.404 220 I CB -0.376 37.610 38.000 -0.022 0.000 1.071 220 I HN 0.222 nan 8.210 nan 0.000 0.419 221 S N 0.952 116.633 115.700 -0.031 0.000 2.402 221 S HA -0.057 4.405 4.470 -0.014 0.000 0.229 221 S C 1.987 176.576 174.600 -0.018 0.000 1.021 221 S CA 1.120 59.305 58.200 -0.025 0.000 0.974 221 S CB -0.169 63.013 63.200 -0.029 0.000 0.800 221 S HN 0.337 nan 8.310 nan 0.000 0.484 222 I N 0.814 121.373 120.570 -0.018 0.000 2.286 222 I HA -0.094 4.067 4.170 -0.014 0.000 0.245 222 I C 2.095 178.212 176.117 -0.001 0.000 1.104 222 I CA 0.691 61.985 61.300 -0.011 0.000 1.397 222 I CB -0.298 37.694 38.000 -0.014 0.000 1.072 222 I HN 0.127 nan 8.210 nan 0.000 0.417 223 V N 0.983 120.900 119.914 0.004 0.000 2.307 223 V HA -0.261 3.851 4.120 -0.014 0.000 0.245 223 V C 2.686 178.791 176.094 0.017 0.000 1.045 223 V CA 2.011 64.322 62.300 0.019 0.000 1.024 223 V CB -0.985 30.852 31.823 0.023 0.000 0.651 223 V HN 0.479 nan 8.190 nan 0.000 0.449 224 A N 0.311 123.134 122.820 0.004 0.000 1.969 224 A HA -0.169 4.143 4.320 -0.014 0.000 0.218 224 A C 1.700 179.284 177.584 0.000 0.000 1.169 224 A CA 1.996 54.033 52.037 -0.000 0.000 0.635 224 A CB -0.581 18.413 19.000 -0.010 0.000 0.810 224 A HN 0.650 nan 8.150 nan 0.000 0.445 225 N N -0.481 118.218 118.700 -0.002 0.000 2.279 225 N HA 0.341 5.073 4.740 -0.014 0.000 0.226 225 N C 0.494 176.003 175.510 -0.002 0.000 1.126 225 N CA 0.442 53.490 53.050 -0.004 0.000 0.846 225 N CB 0.731 39.212 38.487 -0.009 0.000 1.050 225 N HN 0.429 nan 8.380 nan 0.000 0.502 226 G N -0.330 108.473 108.800 0.005 0.000 2.531 226 G HA2 0.512 4.464 3.960 -0.014 0.000 0.313 226 G HA3 0.512 4.464 3.960 -0.014 0.000 0.313 226 G C -0.676 174.224 174.900 0.000 0.000 1.238 226 G CA -0.330 44.772 45.100 0.004 0.000 0.994 226 G HN 0.111 nan 8.290 nan 0.000 0.493 227 Q N -1.161 118.631 119.800 -0.013 0.000 2.323 227 Q HA 0.471 4.802 4.340 -0.014 0.000 0.271 227 Q C -0.881 175.082 176.000 -0.062 0.000 1.048 227 Q CA -0.799 54.986 55.803 -0.031 0.000 0.792 227 Q CB 2.873 31.591 28.738 -0.033 0.000 1.280 227 Q HN 0.538 nan 8.270 nan 0.000 0.441 228 V N 0.355 120.207 119.914 -0.104 0.000 2.334 228 V HA 0.464 4.576 4.120 -0.014 0.000 0.281 228 V C -0.098 175.879 176.094 -0.196 0.000 1.016 228 V CA -0.950 61.223 62.300 -0.211 0.000 0.832 228 V CB 1.156 32.713 31.823 -0.443 0.000 0.999 228 V HN 0.847 nan 8.190 nan 0.000 0.439 229 N N 3.835 122.436 118.700 -0.164 0.000 2.707 229 N HA -0.187 4.545 4.740 -0.014 0.000 0.253 229 N C 1.187 176.645 175.510 -0.088 0.000 0.998 229 N CA 2.086 55.063 53.050 -0.121 0.000 0.751 229 N CB -1.126 37.278 38.487 -0.138 0.000 0.920 229 N HN 1.774 nan 8.380 nan 0.000 0.539 230 G N -0.902 107.854 108.800 -0.073 0.000 2.850 230 G HA2 -0.341 3.610 3.960 -0.014 0.000 0.207 230 G HA3 -0.341 3.610 3.960 -0.014 0.000 0.207 230 G C 0.067 174.940 174.900 -0.046 0.000 1.302 230 G CA 0.184 45.253 45.100 -0.052 0.000 0.832 230 G HN 0.784 nan 8.290 nan 0.000 0.543 231 R N 3.058 123.526 120.500 -0.052 0.000 2.594 231 R HA 0.491 4.823 4.340 -0.014 0.000 0.272 231 R C -2.296 173.986 176.300 -0.029 0.000 1.074 231 R CA -0.545 55.533 56.100 -0.036 0.000 1.105 231 R CB 0.649 30.928 30.300 -0.035 0.000 1.008 231 R HN 0.291 nan 8.270 nan 0.000 0.472 232 P HA -0.025 nan 4.420 nan 0.000 0.268 232 P C -0.226 177.080 177.300 0.010 0.000 1.205 232 P CA 0.043 63.140 63.100 -0.005 0.000 0.771 232 P CB 0.659 32.357 31.700 -0.003 0.000 0.858 233 I N 2.761 123.345 120.570 0.023 0.000 2.474 233 I HA 0.099 4.261 4.170 -0.014 0.000 0.287 233 I C 0.944 177.088 176.117 0.043 0.000 1.048 233 I CA -0.199 61.137 61.300 0.059 0.000 1.383 233 I CB 1.121 39.171 38.000 0.083 0.000 1.412 233 I HN 0.415 nan 8.210 nan 0.000 0.531 234 T N 2.390 116.975 114.554 0.052 0.000 2.868 234 T HA 0.127 4.468 4.350 -0.014 0.000 0.292 234 T C 1.073 175.776 174.700 0.005 0.000 1.028 234 T CA -0.498 61.616 62.100 0.023 0.000 1.059 234 T CB 1.499 70.380 68.868 0.023 0.000 0.991 234 T HN 0.656 nan 8.240 nan 0.000 0.531 235 S N 0.414 116.106 115.700 -0.013 0.000 2.399 235 S HA -0.114 4.347 4.470 -0.014 0.000 0.231 235 S C 1.632 176.197 174.600 -0.060 0.000 1.022 235 S CA 1.515 59.697 58.200 -0.032 0.000 0.983 235 S CB -0.614 62.566 63.200 -0.033 0.000 0.803 235 S HN 0.949 nan 8.310 nan 0.000 0.480 236 D N 0.887 121.251 120.400 -0.060 0.000 2.103 236 D HA -0.083 4.549 4.640 -0.014 0.000 0.199 236 D C 1.949 178.180 176.300 -0.115 0.000 0.978 236 D CA 1.132 55.072 54.000 -0.100 0.000 0.829 236 D CB -0.035 40.722 40.800 -0.072 0.000 0.981 236 D HN 0.423 nan 8.370 nan 0.000 0.464 237 E N -0.164 119.997 120.200 -0.064 0.000 2.106 237 E HA -0.106 4.236 4.350 -0.014 0.000 0.192 237 E C 2.077 178.636 176.600 -0.068 0.000 0.984 237 E CA 0.879 57.234 56.400 -0.074 0.000 0.806 237 E CB -0.117 29.598 29.700 0.025 0.000 0.750 237 E HN 0.337 nan 8.360 nan 0.000 0.458 238 A N 1.654 124.453 122.820 -0.035 0.000 1.969 238 A HA -0.201 4.111 4.320 -0.014 0.000 0.218 238 A C 2.055 179.603 177.584 -0.059 0.000 1.169 238 A CA 1.346 53.368 52.037 -0.024 0.000 0.635 238 A CB -0.309 18.684 19.000 -0.011 0.000 0.810 238 A HN 0.052 nan 8.150 nan 0.000 0.445 239 K N -0.269 120.063 120.400 -0.113 0.000 2.057 239 K HA -0.126 4.185 4.320 -0.014 0.000 0.206 239 K C 2.124 178.611 176.600 -0.188 0.000 1.050 239 K CA 1.380 57.559 56.287 -0.180 0.000 0.935 239 K CB -0.136 32.170 32.500 -0.324 0.000 0.715 239 K HN 0.438 nan 8.250 nan 0.000 0.439 240 R N -0.102 120.291 120.500 -0.179 0.000 2.153 240 R HA 0.016 4.347 4.340 -0.014 0.000 0.218 240 R C 2.294 178.562 176.300 -0.053 0.000 1.072 240 R CA 1.095 57.173 56.100 -0.038 0.000 0.990 240 R CB -0.107 30.169 30.300 -0.040 0.000 0.889 240 R HN 0.282 nan 8.270 nan 0.000 0.452 241 M N -0.302 119.246 119.600 -0.086 0.000 2.193 241 M HA -0.118 4.354 4.480 -0.014 0.000 0.265 241 M C 1.791 178.041 176.300 -0.082 0.000 1.071 241 M CA 1.479 56.734 55.300 -0.074 0.000 1.140 241 M CB 0.055 32.641 32.600 -0.023 0.000 1.369 241 M HN 0.198 nan 8.290 nan 0.000 0.423 242 C N 0.664 119.934 119.300 -0.051 0.000 2.435 242 C HA -0.027 4.425 4.460 -0.014 0.000 0.279 242 C C 2.737 177.686 174.990 -0.068 0.000 1.321 242 C CA 0.978 59.989 59.018 -0.012 0.000 1.752 242 C CB -1.833 25.922 27.740 0.026 0.000 1.959 242 C HN 0.820 nan 8.230 nan 0.000 0.500 243 G N 0.265 108.976 108.800 -0.149 0.000 2.418 243 G HA2 -0.215 3.737 3.960 -0.014 0.000 0.217 243 G HA3 -0.215 3.737 3.960 -0.014 0.000 0.217 243 G C 1.516 175.926 174.900 -0.817 0.000 1.158 243 G CA 0.951 45.831 45.100 -0.366 0.000 0.771 243 G HN 0.474 nan 8.290 nan 0.000 0.545 244 L N 0.405 121.100 121.223 -0.882 0.000 2.056 244 L HA 0.146 4.477 4.340 -0.014 0.000 0.207 244 L C 2.699 179.398 176.870 -0.286 0.000 1.078 244 L CA 1.272 55.727 54.840 -0.643 0.000 0.749 244 L CB -0.363 41.514 42.059 -0.304 0.000 0.901 244 L HN 0.198 nan 8.230 nan 0.000 0.433 245 L N -1.335 119.786 121.223 -0.171 0.000 2.131 245 L HA -0.218 4.113 4.340 -0.014 0.000 0.210 245 L C 2.432 179.135 176.870 -0.278 0.000 1.092 245 L CA 0.494 55.290 54.840 -0.074 0.000 0.759 245 L CB -0.616 41.527 42.059 0.141 0.000 0.903 245 L HN 0.324 nan 8.230 nan 0.000 0.435 246 L N -0.523 120.575 121.223 -0.208 0.000 2.027 246 L HA -0.148 4.184 4.340 -0.014 0.000 0.206 246 L C 2.553 179.208 176.870 -0.358 0.000 1.074 246 L CA 1.563 56.237 54.840 -0.276 0.000 0.745 246 L CB -0.637 41.371 42.059 -0.085 0.000 0.898 246 L HN 0.070 nan 8.230 nan 0.000 0.433 247 V N -0.095 119.670 119.914 -0.249 0.000 2.343 247 V HA -0.199 3.912 4.120 -0.014 0.000 0.247 247 V C 2.624 178.635 176.094 -0.138 0.000 1.051 247 V CA 1.776 63.998 62.300 -0.130 0.000 1.036 247 V CB -1.173 30.648 31.823 -0.003 0.000 0.654 247 V HN 0.566 nan 8.190 nan 0.000 0.451 248 G N -0.264 108.430 108.800 -0.176 0.000 2.403 248 G HA2 -0.089 3.862 3.960 -0.014 0.000 0.216 248 G HA3 -0.089 3.862 3.960 -0.014 0.000 0.216 248 G C 1.549 176.300 174.900 -0.249 0.000 1.154 248 G CA 0.796 45.812 45.100 -0.140 0.000 0.784 248 G HN 0.594 nan 8.290 nan 0.000 0.538 249 G N 0.005 108.473 108.800 -0.554 0.000 2.572 249 G HA2 0.113 4.065 3.960 -0.014 0.000 0.216 249 G HA3 0.113 4.065 3.960 -0.014 0.000 0.216 249 G C 1.400 176.048 174.900 -0.420 0.000 1.133 249 G CA 0.331 45.001 45.100 -0.718 0.000 0.791 249 G HN 0.342 nan 8.290 nan 0.000 0.538 250 L N -0.728 120.298 121.223 -0.328 0.000 2.638 250 L HA 0.395 4.727 4.340 -0.014 0.000 0.232 250 L C 0.673 177.487 176.870 -0.095 0.000 1.099 250 L CA 0.657 55.390 54.840 -0.178 0.000 0.883 250 L CB 0.915 42.875 42.059 -0.165 0.000 1.136 250 L HN 0.067 nan 8.230 nan 0.000 0.492 251 D N -2.399 117.957 120.400 -0.073 0.000 2.785 251 D HA 0.092 4.724 4.640 -0.014 0.000 0.324 251 D C 1.094 177.405 176.300 0.018 0.000 1.523 251 D CA 0.908 54.897 54.000 -0.018 0.000 0.789 251 D CB 0.516 41.315 40.800 -0.003 0.000 1.171 251 D HN 0.216 nan 8.370 nan 0.000 0.447 252 T N -4.156 110.410 114.554 0.020 0.000 3.393 252 T HA 0.080 4.422 4.350 -0.014 0.000 0.231 252 T C 1.835 176.604 174.700 0.115 0.000 0.983 252 T CA 0.604 62.740 62.100 0.060 0.000 1.272 252 T CB -0.512 68.384 68.868 0.046 0.000 1.214 252 T HN -0.148 nan 8.240 nan 0.000 0.368 253 V N 2.479 122.460 119.914 0.111 0.000 2.332 253 V HA -0.147 3.965 4.120 -0.014 0.000 0.248 253 V C 2.936 179.150 176.094 0.200 0.000 1.055 253 V CA 1.599 64.012 62.300 0.188 0.000 1.038 253 V CB -1.044 30.870 31.823 0.153 0.000 0.651 253 V HN 0.406 nan 8.190 nan 0.000 0.450 254 V N 0.920 120.898 119.914 0.106 0.000 2.277 254 V HA -0.335 3.777 4.120 -0.014 0.000 0.253 254 V C 2.285 178.417 176.094 0.062 0.000 1.067 254 V CA 2.538 64.876 62.300 0.065 0.000 1.047 254 V CB -0.774 31.054 31.823 0.008 0.000 0.649 254 V HN 0.617 nan 8.190 nan 0.000 0.447 255 N N -1.248 117.497 118.700 0.075 0.000 2.333 255 N HA -0.035 4.696 4.740 -0.014 0.000 0.178 255 N C 1.604 177.154 175.510 0.066 0.000 1.018 255 N CA 1.051 54.106 53.050 0.008 0.000 0.882 255 N CB -0.210 38.306 38.487 0.048 0.000 0.984 255 N HN 0.563 nan 8.380 nan 0.000 0.434 256 F N 1.915 121.931 119.950 0.110 0.000 2.234 256 F HA 0.110 4.630 4.527 -0.013 0.000 0.296 256 F C 2.017 177.904 175.800 0.146 0.000 1.089 256 F CA 0.584 58.708 58.000 0.207 0.000 1.343 256 F CB -0.175 38.906 39.000 0.135 0.000 1.040 256 F HN -0.117 nan 8.300 nan 0.000 0.498 257 L N -0.566 120.740 121.223 0.138 0.000 2.079 257 L HA -0.264 4.067 4.340 -0.014 0.000 0.210 257 L C 2.480 179.339 176.870 -0.019 0.000 1.081 257 L CA 1.640 56.538 54.840 0.097 0.000 0.752 257 L CB -0.904 41.341 42.059 0.310 0.000 0.896 257 L HN 0.132 nan 8.230 nan 0.000 0.433 258 S N -0.747 114.933 115.700 -0.034 0.000 2.387 258 S HA -0.076 4.385 4.470 -0.014 0.000 0.226 258 S C 1.714 176.116 174.600 -0.329 0.000 1.026 258 S CA 0.881 59.014 58.200 -0.112 0.000 0.972 258 S CB -0.205 62.909 63.200 -0.143 0.000 0.814 258 S HN 0.210 nan 8.310 nan 0.000 0.477 259 F N 2.182 121.903 119.950 -0.382 0.000 2.102 259 F HA -0.084 4.434 4.527 -0.015 0.000 0.298 259 F C 2.779 178.062 175.800 -0.862 0.000 1.105 259 F CA 0.887 58.513 58.000 -0.624 0.000 1.239 259 F CB -1.019 37.589 39.000 -0.653 0.000 0.991 259 F HN 0.093 nan 8.300 nan 0.000 0.474 260 S N -0.485 114.841 115.700 -0.624 0.000 2.368 260 S HA -0.179 4.283 4.470 -0.014 0.000 0.225 260 S C 2.102 176.529 174.600 -0.288 0.000 1.030 260 S CA 1.157 59.055 58.200 -0.503 0.000 0.999 260 S CB -0.224 62.683 63.200 -0.488 0.000 0.844 260 S HN 0.208 nan 8.310 nan 0.000 0.459 261 M N 0.849 120.222 119.600 -0.378 0.000 2.349 261 M HA 0.055 4.527 4.480 -0.014 0.000 0.266 261 M C 2.166 178.306 176.300 -0.267 0.000 1.076 261 M CA 0.886 55.915 55.300 -0.451 0.000 1.126 261 M CB -0.919 31.045 32.600 -1.059 0.000 1.392 261 M HN 0.411 nan 8.290 nan 0.000 0.440 262 E N -0.019 120.041 120.200 -0.232 0.000 2.077 262 E HA -0.228 4.114 4.350 -0.014 0.000 0.193 262 E C 1.910 178.478 176.600 -0.053 0.000 0.989 262 E CA 1.182 57.517 56.400 -0.107 0.000 0.800 262 E CB -0.090 29.579 29.700 -0.052 0.000 0.746 262 E HN 0.344 nan 8.360 nan 0.000 0.452 263 F N 1.024 120.825 119.950 -0.247 0.000 2.075 263 F HA -0.192 4.326 4.527 -0.014 0.000 0.297 263 F C 1.989 177.739 175.800 -0.083 0.000 1.113 263 F CA 0.973 58.886 58.000 -0.145 0.000 1.218 263 F CB -0.393 38.507 39.000 -0.168 0.000 0.984 263 F HN 0.056 nan 8.300 nan 0.000 0.472 264 L N 0.574 121.700 121.223 -0.163 0.000 2.127 264 L HA -0.108 4.224 4.340 -0.014 0.000 0.211 264 L C 2.601 179.250 176.870 -0.369 0.000 1.089 264 L CA 1.821 56.527 54.840 -0.223 0.000 0.757 264 L CB -1.684 40.398 42.059 0.038 0.000 0.899 264 L HN 0.282 nan 8.230 nan 0.000 0.434 265 A N -1.553 121.115 122.820 -0.254 0.000 2.066 265 A HA -0.151 4.161 4.320 -0.014 0.000 0.218 265 A C 2.234 179.655 177.584 -0.272 0.000 1.157 265 A CA 1.189 53.033 52.037 -0.322 0.000 0.670 265 A CB -0.281 18.719 19.000 0.000 0.000 0.804 265 A HN 0.363 nan 8.150 nan 0.000 0.453 266 K N -0.906 119.338 120.400 -0.261 0.000 2.374 266 K HA 0.195 4.507 4.320 -0.014 0.000 0.196 266 K C -0.008 176.428 176.600 -0.273 0.000 1.023 266 K CA 0.241 56.404 56.287 -0.207 0.000 1.103 266 K CB 0.396 32.825 32.500 -0.119 0.000 0.848 266 K HN 0.192 nan 8.250 nan 0.000 0.528 267 S N 0.894 116.349 115.700 -0.407 0.000 2.279 267 S HA 0.259 4.720 4.470 -0.014 0.000 0.176 267 S C -2.412 172.047 174.600 -0.235 0.000 1.554 267 S CA -1.325 56.671 58.200 -0.341 0.000 1.242 267 S CB 0.771 63.601 63.200 -0.618 0.000 1.163 267 S HN -0.085 nan 8.310 nan 0.000 0.449 268 P HA -0.035 nan 4.420 nan 0.000 0.225 268 P C 0.778 178.011 177.300 -0.112 0.000 1.148 268 P CA 0.858 63.859 63.100 -0.164 0.000 0.779 268 P CB 0.303 31.921 31.700 -0.137 0.000 0.780 269 E N -1.785 118.344 120.200 -0.118 0.000 2.076 269 E HA -0.154 4.187 4.350 -0.014 0.000 0.190 269 E C 1.732 178.233 176.600 -0.165 0.000 0.979 269 E CA 1.028 57.336 56.400 -0.153 0.000 0.807 269 E CB -0.625 28.943 29.700 -0.220 0.000 0.761 269 E HN 0.447 nan 8.360 nan 0.000 0.454 270 H N -0.458 118.555 119.070 -0.095 0.000 2.428 270 H HA 0.066 4.613 4.556 -0.014 0.000 0.296 270 H C 1.967 177.376 175.328 0.134 0.000 1.062 270 H CA 1.204 57.242 56.048 -0.016 0.000 1.350 270 H CB 0.159 29.878 29.762 -0.071 0.000 1.403 270 H HN -0.072 nan 8.280 nan 0.000 0.533 271 R N 0.473 121.042 120.500 0.115 0.000 2.075 271 R HA -0.143 4.189 4.340 -0.014 0.000 0.232 271 R C 2.310 178.660 176.300 0.083 0.000 1.126 271 R CA 1.391 57.538 56.100 0.078 0.000 0.963 271 R CB 0.030 30.281 30.300 -0.082 0.000 0.858 271 R HN 0.367 nan 8.270 nan 0.000 0.435 272 Q N 0.205 120.027 119.800 0.036 0.000 2.079 272 Q HA -0.212 4.119 4.340 -0.014 0.000 0.200 272 Q C 1.834 177.871 176.000 0.062 0.000 0.974 272 Q CA 1.601 57.422 55.803 0.030 0.000 0.840 272 Q CB 0.060 28.794 28.738 -0.008 0.000 0.898 272 Q HN 0.417 nan 8.270 nan 0.000 0.430 273 E N 0.064 120.318 120.200 0.088 0.000 2.118 273 E HA -0.189 4.153 4.350 -0.014 0.000 0.195 273 E C 1.995 178.688 176.600 0.154 0.000 0.992 273 E CA 0.919 57.395 56.400 0.126 0.000 0.804 273 E CB -0.002 29.806 29.700 0.181 0.000 0.741 273 E HN 0.377 nan 8.360 nan 0.000 0.458 274 L N 0.266 121.601 121.223 0.186 0.000 2.240 274 L HA -0.058 4.274 4.340 -0.014 0.000 0.211 274 L C 2.306 179.231 176.870 0.092 0.000 1.106 274 L CA 0.317 55.238 54.840 0.134 0.000 0.793 274 L CB -0.155 41.988 42.059 0.140 0.000 0.927 274 L HN 0.188 nan 8.230 nan 0.000 0.446 275 I N -0.533 120.089 120.570 0.087 0.000 2.286 275 I HA -0.262 3.900 4.170 -0.014 0.000 0.245 275 I C 2.559 178.705 176.117 0.048 0.000 1.104 275 I CA 1.167 62.504 61.300 0.062 0.000 1.397 275 I CB -0.178 37.855 38.000 0.054 0.000 1.072 275 I HN 0.258 nan 8.210 nan 0.000 0.417 276 Q N 0.834 120.664 119.800 0.050 0.000 2.119 276 Q HA -0.047 4.285 4.340 -0.014 0.000 0.201 276 Q C 0.243 176.269 176.000 0.043 0.000 0.972 276 Q CA 1.083 56.910 55.803 0.041 0.000 0.847 276 Q CB 0.310 29.071 28.738 0.039 0.000 0.903 276 Q HN 0.381 nan 8.270 nan 0.000 0.433 277 R N 0.306 120.839 120.500 0.055 0.000 2.547 277 R HA 0.219 4.550 4.340 -0.014 0.000 0.280 277 R C -2.458 173.871 176.300 0.049 0.000 1.630 277 R CA -1.419 54.711 56.100 0.051 0.000 1.470 277 R CB 0.829 31.165 30.300 0.059 0.000 1.178 277 R HN 0.073 nan 8.270 nan 0.000 0.591 278 P HA -0.165 nan 4.420 nan 0.000 0.231 278 P C 0.811 178.127 177.300 0.027 0.000 1.158 278 P CA 1.006 64.126 63.100 0.035 0.000 0.763 278 P CB 0.365 32.084 31.700 0.033 0.000 0.805 279 E N 0.600 120.818 120.200 0.029 0.000 2.435 279 E HA -0.084 4.258 4.350 -0.014 0.000 0.195 279 E C 1.491 178.104 176.600 0.022 0.000 1.029 279 E CA 0.283 56.699 56.400 0.026 0.000 0.865 279 E CB -0.358 29.358 29.700 0.028 0.000 0.833 279 E HN 0.265 nan 8.360 nan 0.000 0.510 280 R N 0.362 120.874 120.500 0.020 0.000 2.310 280 R HA 0.289 4.620 4.340 -0.014 0.000 0.202 280 R C 2.104 178.367 176.300 -0.061 0.000 0.933 280 R CA 0.004 56.107 56.100 0.005 0.000 1.054 280 R CB -0.001 30.326 30.300 0.044 0.000 0.985 280 R HN 0.212 nan 8.270 nan 0.000 0.489 281 I N 1.318 121.861 120.570 -0.046 0.000 2.315 281 I HA -0.152 4.009 4.170 -0.014 0.000 0.248 281 I C -0.831 175.252 176.117 -0.056 0.000 1.117 281 I CA 1.010 62.267 61.300 -0.072 0.000 1.404 281 I CB -0.896 37.095 38.000 -0.014 0.000 1.071 281 I HN 0.011 nan 8.210 nan 0.000 0.419 282 P HA -0.186 nan 4.420 nan 0.000 0.215 282 P C 1.507 178.806 177.300 -0.002 0.000 1.153 282 P CA 1.811 64.918 63.100 0.011 0.000 0.853 282 P CB 0.004 31.720 31.700 0.027 0.000 0.788 283 A N -0.239 122.568 122.820 -0.021 0.000 1.930 283 A HA -0.048 4.264 4.320 -0.014 0.000 0.217 283 A C 2.293 179.827 177.584 -0.083 0.000 1.175 283 A CA 1.850 53.879 52.037 -0.012 0.000 0.627 283 A CB -1.525 17.485 19.000 0.016 0.000 0.815 283 A HN 0.184 nan 8.150 nan 0.000 0.443 284 A N -1.029 121.623 122.820 -0.279 0.000 1.933 284 A HA -0.199 4.112 4.320 -0.014 0.000 0.218 284 A C 2.354 179.789 177.584 -0.247 0.000 1.175 284 A CA 1.592 53.233 52.037 -0.660 0.000 0.628 284 A CB -1.413 16.907 19.000 -1.135 0.000 0.814 284 A HN 0.815 nan 8.150 nan 0.000 0.444 285 C N -0.626 118.620 119.300 -0.090 0.000 2.413 285 C HA -0.117 4.335 4.460 -0.014 0.000 0.276 285 C C 2.582 177.618 174.990 0.077 0.000 1.248 285 C CA 1.806 60.856 59.018 0.054 0.000 1.742 285 C CB -0.983 26.805 27.740 0.079 0.000 2.017 285 C HN 0.684 nan 8.230 nan 0.000 0.481 286 E N 0.626 120.859 120.200 0.055 0.000 2.107 286 E HA -0.146 4.195 4.350 -0.014 0.000 0.191 286 E C 2.052 178.669 176.600 0.029 0.000 0.982 286 E CA 1.574 58.016 56.400 0.070 0.000 0.809 286 E CB -0.332 29.446 29.700 0.130 0.000 0.756 286 E HN 0.751 nan 8.360 nan 0.000 0.459 287 E N -0.052 120.187 120.200 0.065 0.000 2.106 287 E HA -0.096 4.246 4.350 -0.014 0.000 0.192 287 E C 1.858 178.473 176.600 0.024 0.000 0.984 287 E CA 0.978 57.420 56.400 0.070 0.000 0.806 287 E CB -0.259 29.561 29.700 0.201 0.000 0.750 287 E HN 0.325 nan 8.360 nan 0.000 0.458 288 L N -0.085 121.213 121.223 0.125 0.000 2.093 288 L HA -0.097 4.235 4.340 -0.014 0.000 0.208 288 L C 2.393 179.463 176.870 0.333 0.000 1.085 288 L CA 0.702 55.691 54.840 0.247 0.000 0.755 288 L CB -0.293 41.983 42.059 0.362 0.000 0.904 288 L HN 0.219 nan 8.230 nan 0.000 0.435 289 L N -0.617 120.686 121.223 0.134 0.000 2.141 289 L HA -0.191 4.140 4.340 -0.014 0.000 0.209 289 L C 2.817 179.431 176.870 -0.427 0.000 1.094 289 L CA 1.023 55.704 54.840 -0.265 0.000 0.763 289 L CB -0.425 41.286 42.059 -0.580 0.000 0.908 289 L HN 0.258 nan 8.230 nan 0.000 0.437 290 R N 0.336 120.611 120.500 -0.377 0.000 2.062 290 R HA -0.174 4.157 4.340 -0.014 0.000 0.229 290 R C 2.449 178.577 176.300 -0.287 0.000 1.128 290 R CA 1.351 57.265 56.100 -0.310 0.000 0.960 290 R CB -0.005 30.219 30.300 -0.127 0.000 0.855 290 R HN 0.099 nan 8.270 nan 0.000 0.432 291 R N -0.379 119.904 120.500 -0.362 0.000 2.119 291 R HA -0.023 4.308 4.340 -0.014 0.000 0.222 291 R C 0.315 176.104 176.300 -0.853 0.000 1.088 291 R CA 1.320 57.027 56.100 -0.655 0.000 0.984 291 R CB -0.005 29.738 30.300 -0.929 0.000 0.884 291 R HN 0.163 nan 8.270 nan 0.000 0.447 292 F N 0.568 120.397 119.950 -0.201 0.000 2.963 292 F HA 0.445 4.963 4.527 -0.015 0.000 0.321 292 F C 0.203 175.876 175.800 -0.212 0.000 1.234 292 F CA -0.578 57.246 58.000 -0.294 0.000 1.296 292 F CB 0.118 38.938 39.000 -0.300 0.000 0.981 292 F HN -0.133 nan 8.300 nan 0.000 0.507 293 S N 1.440 117.034 115.700 -0.177 0.000 2.568 293 S HA 0.314 4.775 4.470 -0.014 0.000 0.282 293 S C 0.955 175.383 174.600 -0.288 0.000 1.338 293 S CA -0.083 57.973 58.200 -0.240 0.000 1.045 293 S CB 0.496 63.528 63.200 -0.279 0.000 0.873 293 S HN 0.580 nan 8.310 nan 0.000 0.516 294 L N 2.060 123.136 121.223 -0.244 0.000 3.515 294 L HA 0.587 4.919 4.340 -0.014 0.000 0.322 294 L C -0.866 175.873 176.870 -0.219 0.000 1.225 294 L CA -0.474 54.237 54.840 -0.216 0.000 1.104 294 L CB 0.313 42.379 42.059 0.010 0.000 1.506 294 L HN 0.328 nan 8.230 nan 0.000 0.624 295 V N 2.005 121.780 119.914 -0.232 0.000 2.483 295 V HA 0.846 4.957 4.120 -0.014 0.000 0.295 295 V C 0.150 176.096 176.094 -0.247 0.000 1.035 295 V CA -0.024 62.160 62.300 -0.193 0.000 0.896 295 V CB 1.453 33.205 31.823 -0.119 0.000 0.986 295 V HN 0.335 nan 8.190 nan 0.000 0.447 296 A N 3.898 126.576 122.820 -0.237 0.000 2.569 296 A HA 0.741 5.053 4.320 -0.014 0.000 0.282 296 A C -0.801 176.703 177.584 -0.133 0.000 1.165 296 A CA -0.615 51.309 52.037 -0.190 0.000 0.747 296 A CB 0.759 19.573 19.000 -0.311 0.000 1.215 296 A HN 0.847 nan 8.150 nan 0.000 0.431 297 D N 1.355 121.724 120.400 -0.051 0.000 2.784 297 D HA 0.856 5.488 4.640 -0.014 0.000 0.256 297 D C 0.467 176.801 176.300 0.056 0.000 1.129 297 D CA 0.073 54.044 54.000 -0.048 0.000 1.102 297 D CB 1.015 41.802 40.800 -0.022 0.000 1.330 297 D HN 0.817 nan 8.370 nan 0.000 0.626 298 G N -1.592 107.241 108.800 0.055 0.000 2.793 298 G HA2 0.605 4.556 3.960 -0.014 0.000 0.248 298 G HA3 0.605 4.556 3.960 -0.014 0.000 0.248 298 G C -1.314 173.614 174.900 0.047 0.000 1.198 298 G CA -0.716 44.405 45.100 0.035 0.000 0.865 298 G HN 0.546 nan 8.290 nan 0.000 0.534 299 R N -1.617 118.906 120.500 0.037 0.000 2.734 299 R HA 0.680 5.011 4.340 -0.014 0.000 0.271 299 R C -1.595 174.785 176.300 0.134 0.000 1.021 299 R CA -0.536 55.619 56.100 0.092 0.000 0.893 299 R CB 2.184 32.559 30.300 0.124 0.000 1.244 299 R HN 0.607 nan 8.270 nan 0.000 0.464 300 I N 1.582 122.235 120.570 0.140 0.000 2.530 300 I HA 0.408 4.569 4.170 -0.014 0.000 0.297 300 I C -0.936 175.251 176.117 0.117 0.000 1.011 300 I CA -0.981 60.400 61.300 0.135 0.000 1.107 300 I CB 1.117 39.172 38.000 0.090 0.000 1.285 300 I HN 0.325 nan 8.210 nan 0.000 0.436 301 L N 6.574 127.863 121.223 0.110 0.000 2.360 301 L HA 0.164 4.495 4.340 -0.014 0.000 0.276 301 L C 1.472 178.338 176.870 -0.008 0.000 1.121 301 L CA 0.355 55.197 54.840 0.003 0.000 0.845 301 L CB 1.001 43.091 42.059 0.052 0.000 1.143 301 L HN 0.828 nan 8.230 nan 0.000 0.452 302 T N -1.085 113.428 114.554 -0.068 0.000 2.978 302 T HA 0.020 4.362 4.350 -0.014 0.000 0.262 302 T C 0.895 175.570 174.700 -0.041 0.000 1.063 302 T CA 0.562 62.632 62.100 -0.051 0.000 1.140 302 T CB 0.195 69.009 68.868 -0.090 0.000 0.886 302 T HN 0.599 nan 8.240 nan 0.000 0.470 303 S N 0.209 115.884 115.700 -0.042 0.000 2.732 303 S HA 0.574 5.035 4.470 -0.014 0.000 0.293 303 S C -1.806 172.809 174.600 0.024 0.000 1.159 303 S CA -1.080 57.117 58.200 -0.005 0.000 0.847 303 S CB 1.355 64.553 63.200 -0.002 0.000 1.169 303 S HN 0.089 nan 8.310 nan 0.000 0.501 304 D N 1.015 121.436 120.400 0.035 0.000 2.424 304 D HA 0.474 5.105 4.640 -0.014 0.000 0.244 304 D C -1.075 175.297 176.300 0.120 0.000 1.134 304 D CA 0.873 54.904 54.000 0.051 0.000 0.881 304 D CB 0.122 40.937 40.800 0.025 0.000 1.191 304 D HN 0.495 nan 8.370 nan 0.000 0.445 305 Y N 0.554 120.796 120.300 -0.096 0.000 2.390 305 Y HA 0.173 4.715 4.550 -0.014 0.000 0.324 305 Y C -1.147 174.690 175.900 -0.105 0.000 1.151 305 Y CA -0.986 57.010 58.100 -0.175 0.000 1.053 305 Y CB 1.344 39.563 38.460 -0.402 0.000 1.277 305 Y HN 0.322 nan 8.280 nan 0.000 0.432 306 E N 6.148 126.129 120.200 -0.366 0.000 2.052 306 E HA 0.198 4.540 4.350 -0.014 0.000 0.283 306 E C -1.654 174.533 176.600 -0.690 0.000 1.071 306 E CA -0.368 55.799 56.400 -0.389 0.000 0.851 306 E CB 0.352 29.925 29.700 -0.211 0.000 1.066 306 E HN 0.444 nan 8.360 nan 0.000 0.396 307 F N 5.331 124.867 119.950 -0.689 0.000 2.347 307 F HA 0.203 4.721 4.527 -0.014 0.000 0.366 307 F C -0.161 175.504 175.800 -0.225 0.000 1.107 307 F CA -0.632 57.030 58.000 -0.564 0.000 1.058 307 F CB 0.127 38.963 39.000 -0.274 0.000 1.236 307 F HN 0.564 nan 8.300 nan 0.000 0.456 308 H N 3.768 122.554 119.070 -0.474 0.000 2.692 308 H HA -0.182 4.366 4.556 -0.014 0.000 0.316 308 H C 1.400 176.585 175.328 -0.240 0.000 1.176 308 H CA 0.908 56.717 56.048 -0.400 0.000 1.142 308 H CB -1.215 28.217 29.762 -0.550 0.000 1.475 308 H HN 1.135 nan 8.280 nan 0.000 0.423 309 G N -1.063 107.657 108.800 -0.133 0.000 2.153 309 G HA2 -0.284 3.668 3.960 -0.014 0.000 0.252 309 G HA3 -0.284 3.668 3.960 -0.014 0.000 0.252 309 G C 0.223 175.091 174.900 -0.052 0.000 0.994 309 G CA 0.354 45.408 45.100 -0.077 0.000 0.698 309 G HN 0.520 nan 8.290 nan 0.000 0.521 310 V N 0.331 120.195 119.914 -0.084 0.000 2.628 310 V HA 0.546 4.658 4.120 -0.014 0.000 0.306 310 V C 0.041 176.078 176.094 -0.093 0.000 1.045 310 V CA -1.162 61.089 62.300 -0.081 0.000 0.905 310 V CB 1.978 33.700 31.823 -0.169 0.000 0.997 310 V HN 0.218 nan 8.190 nan 0.000 0.436 311 Q N 4.041 123.838 119.800 -0.005 0.000 2.361 311 Q HA 0.459 4.791 4.340 -0.014 0.000 0.250 311 Q C -0.792 175.283 176.000 0.125 0.000 1.023 311 Q CA 0.068 55.901 55.803 0.050 0.000 0.915 311 Q CB 1.072 29.881 28.738 0.118 0.000 1.238 311 Q HN 0.567 nan 8.270 nan 0.000 0.451 312 L N 1.990 123.227 121.223 0.024 0.000 2.334 312 L HA 0.467 4.799 4.340 -0.014 0.000 0.277 312 L C 0.313 177.267 176.870 0.139 0.000 1.075 312 L CA -0.744 54.166 54.840 0.116 0.000 0.804 312 L CB 0.795 42.839 42.059 -0.026 0.000 1.174 312 L HN 0.194 nan 8.230 nan 0.000 0.438 313 K N 1.924 122.431 120.400 0.180 0.000 2.156 313 K HA 0.255 4.567 4.320 -0.014 0.000 0.254 313 K C -0.469 176.168 176.600 0.062 0.000 0.950 313 K CA -0.713 55.561 56.287 -0.022 0.000 0.849 313 K CB 1.399 33.654 32.500 -0.408 0.000 1.100 313 K HN 0.331 nan 8.250 nan 0.000 0.434 314 K N 1.443 121.854 120.400 0.019 0.000 2.453 314 K HA 0.071 4.382 4.320 -0.014 0.000 0.280 314 K C 0.323 176.961 176.600 0.064 0.000 1.045 314 K CA 1.395 57.704 56.287 0.036 0.000 1.059 314 K CB -0.182 32.325 32.500 0.012 0.000 0.901 314 K HN 0.777 nan 8.250 nan 0.000 0.475 315 G N 3.480 112.336 108.800 0.092 0.000 2.238 315 G HA2 -0.192 3.759 3.960 -0.014 0.000 0.217 315 G HA3 -0.192 3.759 3.960 -0.014 0.000 0.217 315 G C -0.454 174.555 174.900 0.182 0.000 0.996 315 G CA -0.049 45.120 45.100 0.114 0.000 0.632 315 G HN 0.706 nan 8.290 nan 0.000 0.503 316 D N 1.788 122.346 120.400 0.263 0.000 2.424 316 D HA 0.402 5.033 4.640 -0.014 0.000 0.244 316 D C 0.794 177.306 176.300 0.353 0.000 1.134 316 D CA 0.533 54.780 54.000 0.413 0.000 0.881 316 D CB 0.626 41.828 40.800 0.670 0.000 1.191 316 D HN 0.488 nan 8.370 nan 0.000 0.445 317 Q N 1.061 121.050 119.800 0.314 0.000 2.235 317 Q HA 0.543 4.874 4.340 -0.014 0.000 0.250 317 Q C -0.302 175.889 176.000 0.320 0.000 0.909 317 Q CA -0.479 55.462 55.803 0.230 0.000 0.910 317 Q CB 2.244 31.039 28.738 0.095 0.000 1.223 317 Q HN 0.476 nan 8.270 nan 0.000 0.432 318 I N 2.906 123.629 120.570 0.255 0.000 2.447 318 I HA 0.264 4.426 4.170 -0.014 0.000 0.287 318 I C -1.560 174.616 176.117 0.099 0.000 1.023 318 I CA -1.074 60.381 61.300 0.258 0.000 1.083 318 I CB 1.141 39.275 38.000 0.223 0.000 1.245 318 I HN 0.500 nan 8.210 nan 0.000 0.434 319 L N 8.286 129.587 121.223 0.130 0.000 2.290 319 L HA 0.422 4.753 4.340 -0.014 0.000 0.284 319 L C -1.077 175.812 176.870 0.032 0.000 1.078 319 L CA 0.198 55.075 54.840 0.061 0.000 0.815 319 L CB 0.804 42.937 42.059 0.123 0.000 1.162 319 L HN 0.565 nan 8.230 nan 0.000 0.435 320 L N 7.744 128.949 121.223 -0.029 0.000 2.502 320 L HA 0.394 4.725 4.340 -0.014 0.000 0.247 320 L C -2.177 174.724 176.870 0.051 0.000 1.180 320 L CA -1.650 53.126 54.840 -0.106 0.000 0.956 320 L CB 0.727 42.481 42.059 -0.507 0.000 1.282 320 L HN 0.487 nan 8.230 nan 0.000 0.470 321 P HA 0.098 nan 4.420 nan 0.000 0.269 321 P C 0.284 177.583 177.300 -0.002 0.000 1.263 321 P CA -0.089 63.022 63.100 0.018 0.000 0.813 321 P CB 0.987 32.717 31.700 0.050 0.000 0.868 322 Q N 2.641 122.447 119.800 0.010 0.000 2.152 322 Q HA -0.220 4.112 4.340 -0.014 0.000 0.206 322 Q C 1.930 177.867 176.000 -0.106 0.000 0.985 322 Q CA 1.802 57.593 55.803 -0.020 0.000 0.863 322 Q CB -0.564 28.134 28.738 -0.067 0.000 0.904 322 Q HN 0.504 nan 8.270 nan 0.000 0.422 323 M N -0.389 119.092 119.600 -0.200 0.000 2.106 323 M HA -0.236 4.235 4.480 -0.014 0.000 0.259 323 M C 1.451 177.642 176.300 -0.182 0.000 1.068 323 M CA 1.605 56.748 55.300 -0.262 0.000 1.100 323 M CB -0.022 32.303 32.600 -0.458 0.000 1.351 323 M HN 0.298 nan 8.290 nan 0.000 0.404 324 L N -0.836 120.313 121.223 -0.123 0.000 2.341 324 L HA -0.089 4.243 4.340 -0.014 0.000 0.214 324 L C 2.308 179.134 176.870 -0.074 0.000 1.115 324 L CA 0.345 55.137 54.840 -0.079 0.000 0.820 324 L CB -0.304 41.732 42.059 -0.038 0.000 0.944 324 L HN 0.303 nan 8.230 nan 0.000 0.452 325 S N 0.327 115.989 115.700 -0.065 0.000 2.359 325 S HA -0.154 4.308 4.470 -0.014 0.000 0.224 325 S C 1.896 176.463 174.600 -0.056 0.000 1.035 325 S CA 1.518 59.684 58.200 -0.057 0.000 1.018 325 S CB -0.473 62.698 63.200 -0.047 0.000 0.876 325 S HN 0.598 nan 8.310 nan 0.000 0.448 326 G N 0.406 109.174 108.800 -0.054 0.000 2.777 326 G HA2 0.155 4.107 3.960 -0.014 0.000 0.211 326 G HA3 0.155 4.107 3.960 -0.014 0.000 0.211 326 G C 1.045 175.896 174.900 -0.082 0.000 1.149 326 G CA -0.032 45.041 45.100 -0.045 0.000 0.785 326 G HN 0.439 nan 8.290 nan 0.000 0.536 327 L N 0.231 121.395 121.223 -0.098 0.000 2.592 327 L HA 0.204 4.536 4.340 -0.014 0.000 0.227 327 L C 0.434 177.259 176.870 -0.075 0.000 1.127 327 L CA -0.307 54.473 54.840 -0.102 0.000 0.884 327 L CB 0.162 42.156 42.059 -0.110 0.000 1.065 327 L HN -0.004 nan 8.230 nan 0.000 0.457 328 D N 1.510 121.869 120.400 -0.069 0.000 2.383 328 D HA -0.052 4.580 4.640 -0.014 0.000 0.252 328 D C 1.190 177.457 176.300 -0.055 0.000 1.166 328 D CA -0.016 53.945 54.000 -0.064 0.000 0.879 328 D CB 1.190 41.949 40.800 -0.068 0.000 1.164 328 D HN 0.355 nan 8.370 nan 0.000 0.462 329 E N 3.097 123.267 120.200 -0.051 0.000 2.482 329 E HA -0.093 4.248 4.350 -0.014 0.000 0.196 329 E C 1.092 177.670 176.600 -0.038 0.000 1.047 329 E CA 0.387 56.763 56.400 -0.040 0.000 0.869 329 E CB 0.080 29.758 29.700 -0.036 0.000 0.836 329 E HN 0.392 nan 8.360 nan 0.000 0.520 330 R N 0.555 121.028 120.500 -0.045 0.000 2.236 330 R HA 0.014 4.346 4.340 -0.014 0.000 0.208 330 R C 1.623 177.900 176.300 -0.038 0.000 1.036 330 R CA 1.040 57.114 56.100 -0.043 0.000 1.001 330 R CB 0.091 30.358 30.300 -0.055 0.000 0.896 330 R HN 0.332 nan 8.270 nan 0.000 0.464 331 E N 0.103 120.279 120.200 -0.039 0.000 2.175 331 E HA 0.098 4.439 4.350 -0.014 0.000 0.195 331 E C 0.104 176.691 176.600 -0.022 0.000 0.934 331 E CA 0.386 56.766 56.400 -0.033 0.000 0.870 331 E CB 0.330 30.006 29.700 -0.040 0.000 0.838 331 E HN 0.232 nan 8.360 nan 0.000 0.474 332 N N 0.828 119.514 118.700 -0.023 0.000 2.346 332 N HA 0.384 5.116 4.740 -0.014 0.000 0.289 332 N C -0.958 174.544 175.510 -0.012 0.000 1.027 332 N CA -0.177 52.865 53.050 -0.014 0.000 0.864 332 N CB 2.346 40.823 38.487 -0.017 0.000 1.370 332 N HN -0.019 nan 8.380 nan 0.000 0.481 333 A N 0.606 123.426 122.820 -0.001 0.000 2.425 333 A HA 0.285 4.597 4.320 -0.014 0.000 0.249 333 A C 0.641 178.232 177.584 0.012 0.000 1.084 333 A CA -0.124 51.914 52.037 0.001 0.000 0.781 333 A CB -0.166 18.837 19.000 0.005 0.000 1.019 333 A HN 0.952 nan 8.150 nan 0.000 0.490 334 C N 2.336 121.639 119.300 0.005 0.000 3.690 334 C HA -0.090 4.362 4.460 -0.014 0.000 0.295 334 C C -0.595 174.412 174.990 0.028 0.000 1.283 334 C CA 0.029 59.058 59.018 0.017 0.000 2.212 334 C CB -2.163 25.591 27.740 0.023 0.000 1.407 334 C HN 0.860 nan 8.230 nan 0.000 0.595 335 P HA -0.109 nan 4.420 nan 0.000 0.225 335 P C 1.368 178.617 177.300 -0.086 0.000 1.156 335 P CA 1.337 64.409 63.100 -0.047 0.000 0.787 335 P CB 0.033 31.698 31.700 -0.058 0.000 0.802 336 M N -1.269 118.297 119.600 -0.057 0.000 2.595 336 M HA 0.050 4.522 4.480 -0.014 0.000 0.248 336 M C 0.703 176.964 176.300 -0.065 0.000 1.119 336 M CA 0.286 55.533 55.300 -0.089 0.000 1.079 336 M CB -1.619 30.957 32.600 -0.040 0.000 1.472 336 M HN 0.051 nan 8.290 nan 0.000 0.501 337 H N 0.603 119.610 119.070 -0.105 0.000 2.580 337 H HA 0.379 4.927 4.556 -0.014 0.000 0.322 337 H C -1.008 174.242 175.328 -0.130 0.000 1.082 337 H CA -0.362 55.639 56.048 -0.078 0.000 1.383 337 H CB 0.829 30.575 29.762 -0.028 0.000 1.450 337 H HN -0.167 nan 8.280 nan 0.000 0.505 338 V N 5.840 125.369 119.914 -0.642 0.000 2.408 338 V HA 0.137 4.249 4.120 -0.014 0.000 0.267 338 V C -0.082 175.588 176.094 -0.706 0.000 1.047 338 V CA -0.236 61.678 62.300 -0.643 0.000 0.937 338 V CB 0.698 32.039 31.823 -0.803 0.000 0.999 338 V HN 0.848 nan 8.190 nan 0.000 0.472 339 D N 3.802 123.962 120.400 -0.400 0.000 2.473 339 D HA 0.392 5.024 4.640 -0.014 0.000 0.253 339 D C 0.330 176.685 176.300 0.093 0.000 1.233 339 D CA -0.528 53.357 54.000 -0.191 0.000 0.908 339 D CB 1.053 41.825 40.800 -0.046 0.000 1.170 339 D HN 0.212 nan 8.370 nan 0.000 0.558 340 F N 1.221 121.217 119.950 0.078 0.000 2.546 340 F HA 0.049 4.569 4.527 -0.013 0.000 0.298 340 F C 1.799 177.638 175.800 0.065 0.000 1.120 340 F CA 0.343 58.392 58.000 0.081 0.000 1.456 340 F CB -0.334 38.737 39.000 0.119 0.000 1.088 340 F HN 0.267 nan 8.300 nan 0.000 0.572 341 S N -0.686 115.150 115.700 0.226 0.000 2.588 341 S HA 0.166 4.628 4.470 -0.014 0.000 0.245 341 S C 0.687 175.354 174.600 0.111 0.000 1.021 341 S CA -0.532 57.757 58.200 0.148 0.000 1.006 341 S CB -0.026 63.245 63.200 0.120 0.000 0.830 341 S HN 0.109 nan 8.310 nan 0.000 0.468 342 R N 1.814 122.382 120.500 0.114 0.000 2.570 342 R HA 0.065 4.396 4.340 -0.014 0.000 0.277 342 R C 1.241 177.584 176.300 0.073 0.000 1.039 342 R CA 0.190 56.341 56.100 0.085 0.000 1.065 342 R CB 0.350 30.697 30.300 0.078 0.000 0.964 342 R HN 0.317 nan 8.270 nan 0.000 0.428 343 Q N 2.559 122.394 119.800 0.057 0.000 2.020 343 Q HA -0.091 4.240 4.340 -0.014 0.000 0.198 343 Q C -0.086 175.940 176.000 0.044 0.000 0.974 343 Q CA 1.620 57.452 55.803 0.048 0.000 0.829 343 Q CB 0.132 28.893 28.738 0.038 0.000 0.894 343 Q HN 0.409 nan 8.270 nan 0.000 0.433 344 K N 0.759 121.182 120.400 0.039 0.000 2.483 344 K HA 0.371 4.683 4.320 -0.014 0.000 0.256 344 K C -1.263 175.360 176.600 0.038 0.000 0.961 344 K CA -0.258 56.049 56.287 0.034 0.000 0.873 344 K CB 2.570 35.083 32.500 0.022 0.000 1.107 344 K HN -0.191 nan 8.250 nan 0.000 0.432 345 V N 2.454 122.400 119.914 0.054 0.000 2.372 345 V HA 0.132 4.243 4.120 -0.014 0.000 0.261 345 V C -0.024 176.108 176.094 0.064 0.000 1.055 345 V CA -0.295 62.052 62.300 0.078 0.000 0.930 345 V CB 0.964 32.861 31.823 0.123 0.000 1.031 345 V HN 0.701 nan 8.190 nan 0.000 0.479 346 S N 5.330 121.055 115.700 0.042 0.000 2.433 346 S HA 0.697 5.159 4.470 -0.014 0.000 0.310 346 S C -0.585 174.036 174.600 0.036 0.000 1.097 346 S CA -0.563 57.630 58.200 -0.013 0.000 1.103 346 S CB 0.153 63.341 63.200 -0.020 0.000 0.992 346 S HN 1.051 nan 8.310 nan 0.000 0.469 347 H N 0.197 119.246 119.070 -0.035 0.000 2.990 347 H HA 0.637 5.184 4.556 -0.015 0.000 0.343 347 H C -0.325 174.977 175.328 -0.044 0.000 1.270 347 H CA -0.634 55.375 56.048 -0.065 0.000 1.118 347 H CB 1.016 30.718 29.762 -0.099 0.000 1.861 347 H HN 0.287 nan 8.280 nan 0.000 0.544 348 T N -2.312 112.293 114.554 0.085 0.000 3.448 348 T HA 0.167 4.509 4.350 -0.014 0.000 0.271 348 T C 0.397 175.134 174.700 0.063 0.000 1.002 348 T CA -0.050 62.090 62.100 0.067 0.000 0.995 348 T CB -0.494 68.382 68.868 0.014 0.000 1.153 348 T HN 0.643 nan 8.240 nan 0.000 0.510 349 T N 1.292 115.921 114.554 0.125 0.000 2.803 349 T HA 0.008 4.350 4.350 -0.014 0.000 0.269 349 T C 0.480 174.975 174.700 -0.342 0.000 1.052 349 T CA 1.324 63.271 62.100 -0.254 0.000 1.136 349 T CB -0.373 68.105 68.868 -0.649 0.000 0.864 349 T HN 0.516 nan 8.240 nan 0.000 0.467 350 F N 0.980 120.942 119.950 0.020 0.000 2.641 350 F HA 0.487 5.008 4.527 -0.010 0.000 0.302 350 F C 1.527 177.296 175.800 -0.052 0.000 1.098 350 F CA -0.233 57.745 58.000 -0.037 0.000 1.318 350 F CB -0.198 38.780 39.000 -0.038 0.000 1.035 350 F HN 0.290 nan 8.300 nan 0.000 0.551 351 G N -0.090 108.746 108.800 0.060 0.000 2.566 351 G HA2 -0.016 3.936 3.960 -0.014 0.000 0.599 351 G HA3 -0.016 3.936 3.960 -0.014 0.000 0.599 351 G C -1.649 173.259 174.900 0.013 0.000 1.292 351 G CA -0.933 44.126 45.100 -0.068 0.000 0.922 351 G HN 0.438 nan 8.290 nan 0.000 0.514 352 H N -0.907 118.026 119.070 -0.228 0.000 3.046 352 H HA 0.704 5.252 4.556 -0.013 0.000 0.363 352 H C 0.642 175.963 175.328 -0.012 0.000 1.203 352 H CA 1.810 57.816 56.048 -0.071 0.000 1.169 352 H CB 1.473 31.248 29.762 0.022 0.000 1.851 352 H HN 2.577 nan 8.280 nan 0.000 0.546 353 G N 1.120 109.735 108.800 -0.308 0.000 2.481 353 G HA2 -0.270 3.681 3.960 -0.014 0.000 0.230 353 G HA3 -0.270 3.681 3.960 -0.014 0.000 0.230 353 G C 0.935 175.818 174.900 -0.029 0.000 1.210 353 G CA 0.473 45.528 45.100 -0.076 0.000 0.936 353 G HN 1.263 nan 8.290 nan 0.000 0.583 354 S N -0.725 115.001 115.700 0.043 0.000 2.562 354 S HA 0.132 4.594 4.470 -0.014 0.000 0.221 354 S C 1.152 175.642 174.600 -0.184 0.000 0.975 354 S CA 1.418 59.564 58.200 -0.089 0.000 0.918 354 S CB -0.116 62.978 63.200 -0.176 0.000 0.772 354 S HN 0.713 nan 8.310 nan 0.000 0.531 355 H N 0.414 119.472 119.070 -0.021 0.000 2.487 355 H HA 0.374 4.922 4.556 -0.013 0.000 0.290 355 H C -0.155 175.152 175.328 -0.034 0.000 1.081 355 H CA -0.561 55.478 56.048 -0.015 0.000 1.116 355 H CB 0.055 29.816 29.762 -0.001 0.000 1.560 355 H HN 0.296 nan 8.280 nan 0.000 0.548 356 L N 1.545 122.786 121.223 0.029 0.000 2.653 356 L HA -0.138 4.194 4.340 -0.014 0.000 0.288 356 L C 0.727 177.598 176.870 0.002 0.000 1.243 356 L CA 0.417 55.259 54.840 0.004 0.000 0.906 356 L CB 0.262 42.302 42.059 -0.031 0.000 1.154 356 L HN 0.376 nan 8.230 nan 0.000 0.498 357 C N 5.814 125.122 119.300 0.013 0.000 2.592 357 C HA 0.024 4.475 4.460 -0.014 0.000 0.408 357 C C 1.834 176.748 174.990 -0.127 0.000 1.436 357 C CA -0.401 58.608 59.018 -0.015 0.000 1.595 357 C CB -1.162 26.611 27.740 0.055 0.000 2.487 357 C HN 0.841 nan 8.230 nan 0.000 0.610 358 L N 4.996 126.178 121.223 -0.069 0.000 2.313 358 L HA 0.122 4.453 4.340 -0.014 0.000 0.214 358 L C 2.400 179.203 176.870 -0.112 0.000 1.119 358 L CA 1.339 56.136 54.840 -0.072 0.000 0.809 358 L CB -0.386 41.672 42.059 -0.002 0.000 0.933 358 L HN 0.957 nan 8.230 nan 0.000 0.449 359 G N -0.517 108.213 108.800 -0.117 0.000 3.233 359 G HA2 -0.039 3.913 3.960 -0.014 0.000 0.227 359 G HA3 -0.039 3.913 3.960 -0.014 0.000 0.227 359 G C 1.302 176.058 174.900 -0.241 0.000 1.175 359 G CA -0.114 44.923 45.100 -0.105 0.000 0.781 359 G HN 0.521 nan 8.290 nan 0.000 0.542 360 Q N -0.478 119.002 119.800 -0.533 0.000 2.224 360 Q HA -0.115 4.217 4.340 -0.014 0.000 0.203 360 Q C 1.659 177.266 176.000 -0.654 0.000 0.970 360 Q CA 0.971 56.200 55.803 -0.957 0.000 0.865 360 Q CB -0.386 27.418 28.738 -1.556 0.000 0.922 360 Q HN 0.466 nan 8.270 nan 0.000 0.445 361 H N 0.467 119.396 119.070 -0.235 0.000 2.395 361 H HA -0.030 4.520 4.556 -0.011 0.000 0.299 361 H C 2.105 177.397 175.328 -0.061 0.000 1.070 361 H CA 1.226 57.199 56.048 -0.125 0.000 1.356 361 H CB -0.066 29.645 29.762 -0.086 0.000 1.401 361 H HN 0.261 nan 8.280 nan 0.000 0.524 362 L N 1.198 122.447 121.223 0.044 0.000 2.093 362 L HA 0.007 4.339 4.340 -0.014 0.000 0.208 362 L C 2.505 179.403 176.870 0.047 0.000 1.085 362 L CA 1.542 56.410 54.840 0.047 0.000 0.755 362 L CB -0.723 41.361 42.059 0.041 0.000 0.904 362 L HN 0.158 nan 8.230 nan 0.000 0.435 363 A N -0.172 122.657 122.820 0.016 0.000 1.851 363 A HA -0.235 4.076 4.320 -0.014 0.000 0.216 363 A C 2.450 180.106 177.584 0.120 0.000 1.195 363 A CA 1.934 54.017 52.037 0.077 0.000 0.622 363 A CB -0.629 18.437 19.000 0.110 0.000 0.831 363 A HN 0.474 nan 8.150 nan 0.000 0.444 364 R N -1.301 119.248 120.500 0.082 0.000 2.120 364 R HA -0.066 4.266 4.340 -0.014 0.000 0.234 364 R C 2.416 178.798 176.300 0.136 0.000 1.123 364 R CA 1.097 57.268 56.100 0.118 0.000 0.975 364 R CB -0.219 30.131 30.300 0.084 0.000 0.866 364 R HN 0.319 nan 8.270 nan 0.000 0.446 365 R N 0.838 121.414 120.500 0.126 0.000 2.090 365 R HA -0.077 4.255 4.340 -0.014 0.000 0.228 365 R C 1.853 178.275 176.300 0.204 0.000 1.110 365 R CA 1.260 57.444 56.100 0.140 0.000 0.973 365 R CB -0.099 30.268 30.300 0.113 0.000 0.869 365 R HN 0.403 nan 8.270 nan 0.000 0.440 366 E N 0.082 120.421 120.200 0.232 0.000 2.150 366 E HA -0.097 4.245 4.350 -0.014 0.000 0.193 366 E C 2.024 178.884 176.600 0.434 0.000 0.985 366 E CA 0.798 57.436 56.400 0.397 0.000 0.814 366 E CB -0.035 29.838 29.700 0.290 0.000 0.752 366 E HN 0.292 nan 8.360 nan 0.000 0.466 367 I N 0.716 121.475 120.570 0.314 0.000 2.233 367 I HA -0.233 3.928 4.170 -0.014 0.000 0.243 367 I C 2.295 178.542 176.117 0.217 0.000 1.093 367 I CA 1.000 62.480 61.300 0.299 0.000 1.380 367 I CB -0.109 38.078 38.000 0.310 0.000 1.067 367 I HN 0.063 nan 8.210 nan 0.000 0.413 368 I N -0.057 120.621 120.570 0.180 0.000 2.315 368 I HA -0.214 3.948 4.170 -0.014 0.000 0.248 368 I C 2.415 178.605 176.117 0.122 0.000 1.117 368 I CA 0.951 62.328 61.300 0.128 0.000 1.404 368 I CB -0.147 37.916 38.000 0.106 0.000 1.071 368 I HN 0.008 nan 8.210 nan 0.000 0.419 369 V N 0.265 120.274 119.914 0.158 0.000 2.427 369 V HA -0.243 3.869 4.120 -0.014 0.000 0.248 369 V C 2.446 178.597 176.094 0.094 0.000 1.051 369 V CA 2.195 64.582 62.300 0.145 0.000 1.048 369 V CB -0.740 31.214 31.823 0.219 0.000 0.666 369 V HN 0.452 nan 8.190 nan 0.000 0.456 370 T N 0.507 115.118 114.554 0.095 0.000 2.708 370 T HA -0.119 4.223 4.350 -0.014 0.000 0.266 370 T C 1.878 176.587 174.700 0.014 0.000 1.037 370 T CA 1.554 63.658 62.100 0.006 0.000 1.146 370 T CB -0.253 68.662 68.868 0.077 0.000 0.865 370 T HN 0.288 nan 8.240 nan 0.000 0.435 371 L N 0.580 121.832 121.223 0.048 0.000 2.017 371 L HA -0.089 4.243 4.340 -0.014 0.000 0.208 371 L C 2.838 179.753 176.870 0.074 0.000 1.073 371 L CA 1.380 56.249 54.840 0.048 0.000 0.745 371 L CB -0.541 41.549 42.059 0.051 0.000 0.894 371 L HN 0.169 nan 8.230 nan 0.000 0.432 372 K N 0.071 120.509 120.400 0.063 0.000 2.009 372 K HA -0.188 4.124 4.320 -0.014 0.000 0.210 372 K C 1.999 178.625 176.600 0.044 0.000 1.049 372 K CA 1.435 57.754 56.287 0.054 0.000 0.929 372 K CB 0.079 32.609 32.500 0.050 0.000 0.714 372 K HN 0.238 nan 8.250 nan 0.000 0.440 373 E N -0.424 119.799 120.200 0.038 0.000 2.216 373 E HA -0.163 4.178 4.350 -0.014 0.000 0.192 373 E C 1.626 178.210 176.600 -0.027 0.000 0.988 373 E CA 0.425 56.828 56.400 0.005 0.000 0.834 373 E CB -0.151 29.553 29.700 0.008 0.000 0.772 373 E HN 0.502 nan 8.360 nan 0.000 0.479 374 W N 1.363 122.542 121.300 -0.202 0.000 2.444 374 W HA -0.050 4.601 4.660 -0.015 0.000 0.308 374 W C 1.719 178.104 176.519 -0.223 0.000 1.183 374 W CA 0.750 57.918 57.345 -0.296 0.000 1.340 374 W CB -0.344 28.877 29.460 -0.398 0.000 1.138 374 W HN -0.010 nan 8.180 nan 0.000 0.510 375 L N 0.560 121.882 121.223 0.165 0.000 2.131 375 L HA -0.211 4.120 4.340 -0.014 0.000 0.210 375 L C 2.319 179.189 176.870 0.000 0.000 1.092 375 L CA 1.611 56.530 54.840 0.131 0.000 0.759 375 L CB -1.255 40.900 42.059 0.160 0.000 0.903 375 L HN -0.131 nan 8.230 nan 0.000 0.435 376 T N -0.799 113.736 114.554 -0.031 0.000 2.915 376 T HA -0.120 4.222 4.350 -0.014 0.000 0.269 376 T C 2.026 176.658 174.700 -0.114 0.000 1.071 376 T CA 1.236 63.304 62.100 -0.053 0.000 1.132 376 T CB -0.007 68.839 68.868 -0.036 0.000 0.878 376 T HN 0.327 nan 8.240 nan 0.000 0.479 377 R N -0.642 119.729 120.500 -0.216 0.000 2.257 377 R HA 0.392 4.723 4.340 -0.014 0.000 0.195 377 R C 0.138 176.198 176.300 -0.400 0.000 0.921 377 R CA 0.371 56.295 56.100 -0.293 0.000 1.069 377 R CB 0.799 30.882 30.300 -0.361 0.000 1.115 377 R HN 0.248 nan 8.270 nan 0.000 0.571 378 I N 2.407 122.650 120.570 -0.544 0.000 2.714 378 I HA 0.202 4.364 4.170 -0.014 0.000 0.276 378 I C -2.056 173.950 176.117 -0.186 0.000 1.196 378 I CA -1.540 59.400 61.300 -0.601 0.000 1.068 378 I CB 2.439 39.631 38.000 -1.348 0.000 1.291 378 I HN -0.119 nan 8.210 nan 0.000 0.530 379 P HA 0.032 nan 4.420 nan 0.000 0.235 379 P C -0.014 177.384 177.300 0.164 0.000 1.177 379 P CA 0.809 63.973 63.100 0.108 0.000 0.785 379 P CB 0.458 32.179 31.700 0.035 0.000 0.885 380 D N 0.083 120.593 120.400 0.182 0.000 2.542 380 D HA 0.434 5.066 4.640 -0.014 0.000 0.252 380 D C -1.024 175.457 176.300 0.302 0.000 1.222 380 D CA -0.680 53.392 54.000 0.120 0.000 0.895 380 D CB 0.680 41.526 40.800 0.076 0.000 1.207 380 D HN -0.120 nan 8.370 nan 0.000 0.558 381 F N 0.443 120.466 119.950 0.121 0.000 2.685 381 F HA 0.847 5.366 4.527 -0.014 0.000 0.315 381 F C -0.891 174.992 175.800 0.140 0.000 1.126 381 F CA -0.974 57.159 58.000 0.222 0.000 0.950 381 F CB 1.273 40.468 39.000 0.326 0.000 1.360 381 F HN 0.079 nan 8.300 nan 0.000 0.469 382 S N 0.845 116.717 115.700 0.287 0.000 2.618 382 S HA 0.653 5.115 4.470 -0.014 0.000 0.277 382 S C -1.046 173.661 174.600 0.177 0.000 1.138 382 S CA -0.781 57.484 58.200 0.108 0.000 0.844 382 S CB 1.759 64.997 63.200 0.063 0.000 1.127 382 S HN 0.571 nan 8.310 nan 0.000 0.474 383 I N 2.081 122.704 120.570 0.088 0.000 2.692 383 I HA 0.201 4.363 4.170 -0.014 0.000 0.284 383 I C 1.024 177.181 176.117 0.067 0.000 1.159 383 I CA -0.328 61.021 61.300 0.082 0.000 1.423 383 I CB -0.107 37.918 38.000 0.042 0.000 1.380 383 I HN 0.778 nan 8.210 nan 0.000 0.580 384 A N 8.611 131.469 122.820 0.064 0.000 2.546 384 A HA 0.313 4.624 4.320 -0.014 0.000 0.243 384 A C -2.143 175.456 177.584 0.024 0.000 1.063 384 A CA -0.695 51.364 52.037 0.036 0.000 0.757 384 A CB -0.897 18.119 19.000 0.028 0.000 0.991 384 A HN 0.514 nan 8.150 nan 0.000 0.503 385 P HA 0.393 nan 4.420 nan 0.000 0.276 385 P C 0.965 178.271 177.300 0.009 0.000 1.243 385 P CA 1.157 64.264 63.100 0.011 0.000 0.768 385 P CB 1.036 32.740 31.700 0.006 0.000 0.856 386 G N 2.192 110.998 108.800 0.009 0.000 2.241 386 G HA2 -0.190 3.762 3.960 -0.014 0.000 0.244 386 G HA3 -0.190 3.762 3.960 -0.014 0.000 0.244 386 G C 0.402 175.307 174.900 0.010 0.000 0.998 386 G CA -0.036 45.068 45.100 0.008 0.000 0.621 386 G HN 0.856 nan 8.290 nan 0.000 0.519 387 A N 0.789 123.617 122.820 0.013 0.000 2.450 387 A HA 0.594 4.906 4.320 -0.014 0.000 0.255 387 A C 0.510 178.103 177.584 0.015 0.000 1.096 387 A CA 0.361 52.408 52.037 0.016 0.000 0.778 387 A CB 0.307 19.321 19.000 0.023 0.000 1.031 387 A HN 0.393 nan 8.150 nan 0.000 0.494 388 Q N 1.968 121.775 119.800 0.012 0.000 2.303 388 Q HA 0.286 4.618 4.340 -0.014 0.000 0.257 388 Q C -0.642 175.362 176.000 0.008 0.000 0.941 388 Q CA -0.489 55.318 55.803 0.007 0.000 0.931 388 Q CB 1.443 30.184 28.738 0.004 0.000 1.215 388 Q HN 0.601 nan 8.270 nan 0.000 0.437 389 I N 3.074 123.644 120.570 -0.001 0.000 2.352 389 I HA 0.134 4.296 4.170 -0.014 0.000 0.290 389 I C 0.399 176.495 176.117 -0.035 0.000 1.036 389 I CA 0.098 61.400 61.300 0.004 0.000 1.336 389 I CB 0.856 38.867 38.000 0.017 0.000 1.407 389 I HN 0.393 nan 8.210 nan 0.000 0.497 390 Q N 6.047 125.858 119.800 0.020 0.000 2.312 390 Q HA 0.396 4.728 4.340 -0.014 0.000 0.263 390 Q C -0.817 175.288 176.000 0.175 0.000 0.995 390 Q CA -0.567 55.256 55.803 0.033 0.000 0.853 390 Q CB 1.971 30.737 28.738 0.048 0.000 1.300 390 Q HN 0.613 nan 8.270 nan 0.000 0.448 391 H N 1.105 120.233 119.070 0.096 0.000 2.544 391 H HA 0.487 5.035 4.556 -0.013 0.000 0.342 391 H C -0.230 175.172 175.328 0.125 0.000 1.185 391 H CA -0.873 55.253 56.048 0.130 0.000 1.264 391 H CB 1.586 31.494 29.762 0.244 0.000 1.607 391 H HN 0.347 nan 8.280 nan 0.000 0.550 392 K N 0.610 121.165 120.400 0.258 0.000 2.427 392 K HA 0.492 4.803 4.320 -0.014 0.000 0.252 392 K C -1.110 175.624 176.600 0.224 0.000 0.931 392 K CA -0.832 55.574 56.287 0.198 0.000 0.793 392 K CB 2.585 35.164 32.500 0.132 0.000 1.211 392 K HN 0.342 nan 8.250 nan 0.000 0.426 393 S N 0.689 116.533 115.700 0.239 0.000 2.651 393 S HA 0.882 5.343 4.470 -0.014 0.000 0.291 393 S C -0.229 174.513 174.600 0.238 0.000 1.141 393 S CA 0.329 58.702 58.200 0.288 0.000 1.027 393 S CB 1.268 64.688 63.200 0.367 0.000 1.043 393 S HN 0.960 nan 8.310 nan 0.000 0.530 394 G N 2.054 110.962 108.800 0.179 0.000 2.393 394 G HA2 0.202 4.154 3.960 -0.014 0.000 0.264 394 G HA3 0.202 4.154 3.960 -0.014 0.000 0.264 394 G C 0.230 175.093 174.900 -0.061 0.000 1.221 394 G CA -0.321 44.827 45.100 0.080 0.000 0.912 394 G HN 0.531 nan 8.290 nan 0.000 0.483 395 I N 0.165 120.687 120.570 -0.081 0.000 2.202 395 I HA 0.042 4.204 4.170 -0.014 0.000 0.242 395 I C 0.998 177.030 176.117 -0.141 0.000 1.091 395 I CA 1.458 62.621 61.300 -0.229 0.000 1.368 395 I CB -0.881 36.855 38.000 -0.440 0.000 1.058 395 I HN 0.019 nan 8.210 nan 0.000 0.410 396 V N 1.326 121.213 119.914 -0.044 0.000 2.409 396 V HA 0.286 4.398 4.120 -0.014 0.000 0.291 396 V C 0.262 176.381 176.094 0.042 0.000 1.020 396 V CA -0.539 61.755 62.300 -0.009 0.000 0.848 396 V CB 1.612 33.456 31.823 0.035 0.000 0.990 396 V HN 0.137 nan 8.190 nan 0.000 0.430 397 S N 2.551 118.281 115.700 0.051 0.000 2.617 397 S HA 0.820 5.282 4.470 -0.014 0.000 0.269 397 S C 0.501 175.239 174.600 0.231 0.000 1.292 397 S CA 0.182 58.472 58.200 0.149 0.000 1.010 397 S CB 1.595 64.868 63.200 0.122 0.000 0.944 397 S HN 1.143 nan 8.310 nan 0.000 0.536 398 G N -0.295 108.600 108.800 0.157 0.000 2.782 398 G HA2 0.602 4.553 3.960 -0.014 0.000 0.304 398 G HA3 0.602 4.553 3.960 -0.014 0.000 0.304 398 G C -1.821 172.876 174.900 -0.339 0.000 1.315 398 G CA -0.501 44.517 45.100 -0.137 0.000 0.791 398 G HN 0.637 nan 8.290 nan 0.000 0.519 399 V N 0.271 119.945 119.914 -0.399 0.000 2.588 399 V HA 0.363 4.474 4.120 -0.014 0.000 0.304 399 V C 0.914 176.959 176.094 -0.081 0.000 1.042 399 V CA -0.377 61.771 62.300 -0.252 0.000 0.877 399 V CB 1.509 33.100 31.823 -0.387 0.000 0.996 399 V HN 0.896 nan 8.190 nan 0.000 0.425 400 Q N 2.294 122.102 119.800 0.012 0.000 2.049 400 Q HA 0.251 4.583 4.340 -0.014 0.000 0.198 400 Q C 0.612 176.624 176.000 0.020 0.000 0.971 400 Q CA 1.553 57.370 55.803 0.024 0.000 0.833 400 Q CB 0.380 29.147 28.738 0.048 0.000 0.896 400 Q HN 0.947 nan 8.270 nan 0.000 0.434 401 A N -0.335 122.503 122.820 0.030 0.000 2.604 401 A HA 0.577 4.889 4.320 -0.014 0.000 0.295 401 A C -1.969 175.647 177.584 0.053 0.000 1.067 401 A CA -0.588 51.474 52.037 0.041 0.000 0.683 401 A CB 1.510 20.535 19.000 0.042 0.000 1.281 401 A HN 0.118 nan 8.150 nan 0.000 0.407 402 L N 1.856 123.128 121.223 0.081 0.000 2.492 402 L HA 0.477 4.809 4.340 -0.014 0.000 0.259 402 L C -2.814 174.135 176.870 0.132 0.000 1.229 402 L CA -1.274 53.624 54.840 0.097 0.000 0.903 402 L CB 1.644 43.766 42.059 0.104 0.000 1.114 402 L HN 0.341 nan 8.230 nan 0.000 0.494 403 P HA 0.246 nan 4.420 nan 0.000 0.270 403 P C -0.863 176.515 177.300 0.130 0.000 1.242 403 P CA 0.356 63.519 63.100 0.105 0.000 0.768 403 P CB 0.503 32.241 31.700 0.063 0.000 0.820 404 L N 3.771 125.109 121.223 0.193 0.000 2.334 404 L HA 0.744 5.076 4.340 -0.014 0.000 0.272 404 L C 0.225 177.195 176.870 0.167 0.000 1.020 404 L CA -1.230 53.776 54.840 0.277 0.000 0.812 404 L CB 1.899 44.243 42.059 0.475 0.000 1.264 404 L HN 0.133 nan 8.230 nan 0.000 0.439 405 V N -1.449 118.588 119.914 0.205 0.000 2.841 405 V HA 0.717 4.829 4.120 -0.014 0.000 0.310 405 V C -1.266 174.990 176.094 0.271 0.000 1.090 405 V CA -0.614 61.682 62.300 -0.007 0.000 0.930 405 V CB 1.412 33.214 31.823 -0.035 0.000 1.014 405 V HN 0.952 nan 8.190 nan 0.000 0.425 406 W N 1.357 122.728 121.300 0.119 0.000 3.060 406 W HA 0.862 5.514 4.660 -0.013 0.000 0.346 406 W C -1.434 175.118 176.519 0.055 0.000 1.194 406 W CA -0.881 56.529 57.345 0.108 0.000 1.105 406 W CB 1.232 30.768 29.460 0.126 0.000 1.487 406 W HN 0.676 nan 8.180 nan 0.000 0.592 407 D N 0.395 120.965 120.400 0.283 0.000 2.425 407 D HA 0.432 5.063 4.640 -0.014 0.000 0.240 407 D C -1.747 174.687 176.300 0.224 0.000 1.080 407 D CA -2.145 51.940 54.000 0.142 0.000 0.836 407 D CB 2.356 43.211 40.800 0.091 0.000 1.125 407 D HN -0.013 nan 8.370 nan 0.000 0.525 408 P HA -0.024 nan 4.420 nan 0.000 0.231 408 P C 0.601 177.969 177.300 0.114 0.000 1.158 408 P CA 0.439 63.663 63.100 0.207 0.000 0.763 408 P CB 0.245 32.021 31.700 0.128 0.000 0.805 409 A N -0.426 122.446 122.820 0.087 0.000 2.072 409 A HA -0.063 4.249 4.320 -0.014 0.000 0.216 409 A C 1.963 179.576 177.584 0.047 0.000 1.156 409 A CA 1.620 53.689 52.037 0.053 0.000 0.701 409 A CB -1.478 17.546 19.000 0.040 0.000 0.816 409 A HN 0.300 nan 8.150 nan 0.000 0.458 410 T N -1.367 113.227 114.554 0.067 0.000 3.148 410 T HA 0.088 4.429 4.350 -0.014 0.000 0.253 410 T C 0.964 175.673 174.700 0.015 0.000 1.134 410 T CA 0.797 62.925 62.100 0.047 0.000 1.051 410 T CB -0.994 67.916 68.868 0.069 0.000 0.959 410 T HN 0.549 nan 8.240 nan 0.000 0.525 411 T N -0.288 114.270 114.554 0.008 0.000 2.881 411 T HA 0.617 4.959 4.350 -0.014 0.000 0.278 411 T C -0.714 173.952 174.700 -0.057 0.000 0.982 411 T CA -0.931 61.132 62.100 -0.062 0.000 0.989 411 T CB 1.405 70.220 68.868 -0.088 0.000 1.058 411 T HN 0.120 nan 8.240 nan 0.000 0.529 412 K N 0.549 120.894 120.400 -0.092 0.000 2.507 412 K HA 0.635 4.947 4.320 -0.014 0.000 0.252 412 K C -0.737 175.814 176.600 -0.081 0.000 0.943 412 K CA -0.579 55.667 56.287 -0.069 0.000 0.808 412 K CB 1.963 34.426 32.500 -0.061 0.000 1.142 412 K HN 0.868 nan 8.250 nan 0.000 0.426 413 A N 3.108 125.895 122.820 -0.056 0.000 2.404 413 A HA 0.446 4.757 4.320 -0.014 0.000 0.273 413 A C -0.134 177.425 177.584 -0.041 0.000 1.144 413 A CA -0.280 51.727 52.037 -0.051 0.000 0.806 413 A CB 0.181 19.162 19.000 -0.032 0.000 1.080 413 A HN 0.451 nan 8.150 nan 0.000 0.509 414 V N 0.000 119.887 119.914 -0.045 0.000 2.409 414 V HA 0.000 4.112 4.120 -0.014 0.000 0.244 414 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 414 V CB 0.000 31.802 31.823 -0.036 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556