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 1mpw_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPWIP REAGEAFDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLLGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD 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 0.000 175.493 175.510 -0.028 0.000 1.280 10 N CA 0.000 53.035 53.050 -0.025 0.000 0.885 10 N CB 0.000 38.469 38.487 -0.030 0.000 1.341 11 L N 1.921 123.130 121.223 -0.024 0.000 2.346 11 L HA 0.815 5.152 4.340 -0.005 0.000 0.276 11 L C 0.141 177.013 176.870 0.004 0.000 1.006 11 L CA -1.182 53.646 54.840 -0.021 0.000 0.817 11 L CB 1.287 43.328 42.059 -0.030 0.000 1.272 11 L HN 0.551 nan 8.230 nan 0.000 0.421 12 A N 4.792 127.627 122.820 0.026 0.000 2.388 12 A HA 0.652 4.969 4.320 -0.005 0.000 0.257 12 A C -2.204 175.413 177.584 0.056 0.000 1.095 12 A CA -1.046 51.023 52.037 0.052 0.000 0.791 12 A CB -0.467 18.586 19.000 0.089 0.000 1.029 12 A HN 0.558 nan 8.150 nan 0.000 0.489 13 P HA 0.059 nan 4.420 nan 0.000 0.264 13 P C -0.339 176.950 177.300 -0.017 0.000 1.193 13 P CA -0.187 62.916 63.100 0.004 0.000 0.763 13 P CB 0.407 32.105 31.700 -0.003 0.000 0.810 14 L N 7.245 128.430 121.223 -0.063 0.000 2.615 14 L HA 0.124 4.461 4.340 -0.005 0.000 0.271 14 L C -2.059 174.637 176.870 -0.289 0.000 1.183 14 L CA -1.094 53.626 54.840 -0.200 0.000 0.933 14 L CB -0.955 40.982 42.059 -0.203 0.000 1.199 14 L HN 0.303 nan 8.230 nan 0.000 0.487 15 P HA 0.122 nan 4.420 nan 0.000 0.267 15 P C -2.134 174.936 177.300 -0.384 0.000 1.200 15 P CA -0.940 61.927 63.100 -0.389 0.000 0.772 15 P CB 0.131 31.502 31.700 -0.549 0.000 0.855 16 P HA -0.213 nan 4.420 nan 0.000 0.216 16 P C 1.189 178.431 177.300 -0.097 0.000 1.150 16 P CA 1.522 64.564 63.100 -0.098 0.000 0.843 16 P CB -0.448 31.247 31.700 -0.009 0.000 0.787 17 H N -1.934 117.063 119.070 -0.121 0.000 2.551 17 H HA 0.113 4.666 4.556 -0.006 0.000 0.266 17 H C -0.106 175.177 175.328 -0.076 0.000 0.977 17 H CA 0.254 56.262 56.048 -0.067 0.000 1.163 17 H CB -0.607 29.144 29.762 -0.019 0.000 1.381 17 H HN -0.068 nan 8.280 nan 0.000 0.581 18 V N 3.765 123.259 119.914 -0.699 0.000 2.364 18 V HA 0.218 4.335 4.120 -0.005 0.000 0.272 18 V C -2.161 173.743 176.094 -0.317 0.000 1.036 18 V CA -1.822 60.113 62.300 -0.609 0.000 0.880 18 V CB 1.247 32.282 31.823 -1.314 0.000 0.991 18 V HN 0.141 nan 8.190 nan 0.000 0.460 19 P HA 0.092 nan 4.420 nan 0.000 0.263 19 P C 0.517 177.702 177.300 -0.192 0.000 1.195 19 P CA 0.106 63.129 63.100 -0.129 0.000 0.762 19 P CB 0.708 32.296 31.700 -0.187 0.000 0.799 20 E N 1.907 122.063 120.200 -0.073 0.000 2.130 20 E HA -0.247 4.100 4.350 -0.005 0.000 0.196 20 E C 1.682 178.276 176.600 -0.010 0.000 0.998 20 E CA 1.524 57.904 56.400 -0.035 0.000 0.806 20 E CB -0.627 29.086 29.700 0.022 0.000 0.738 20 E HN 0.629 nan 8.360 nan 0.000 0.459 21 H N -0.489 118.602 119.070 0.036 0.000 2.559 21 H HA 0.051 4.605 4.556 -0.002 0.000 0.273 21 H C 1.473 176.854 175.328 0.088 0.000 1.000 21 H CA 0.652 56.732 56.048 0.053 0.000 1.195 21 H CB -0.207 29.579 29.762 0.041 0.000 1.368 21 H HN 0.208 nan 8.280 nan 0.000 0.592 22 L N 1.095 122.104 121.223 -0.356 0.000 2.585 22 L HA 0.154 4.491 4.340 -0.005 0.000 0.226 22 L C 0.431 177.356 176.870 0.093 0.000 1.113 22 L CA -0.215 54.571 54.840 -0.090 0.000 0.876 22 L CB 0.513 42.556 42.059 -0.027 0.000 1.072 22 L HN -0.022 nan 8.230 nan 0.000 0.468 23 V N 0.933 120.889 119.914 0.070 0.000 2.673 23 V HA -0.072 4.045 4.120 -0.005 0.000 0.303 23 V C -0.459 175.754 176.094 0.197 0.000 1.046 23 V CA 0.619 63.001 62.300 0.136 0.000 1.126 23 V CB 0.667 32.535 31.823 0.076 0.000 0.934 23 V HN 0.161 nan 8.190 nan 0.000 0.487 24 F N 3.919 123.873 119.950 0.008 0.000 3.395 24 F HA 0.330 4.853 4.527 -0.006 0.000 0.382 24 F C -0.209 175.568 175.800 -0.039 0.000 1.264 24 F CA -0.829 57.167 58.000 -0.008 0.000 1.277 24 F CB 1.094 40.091 39.000 -0.005 0.000 1.780 24 F HN 0.536 nan 8.300 nan 0.000 0.691 25 D N 6.221 126.414 120.400 -0.345 0.000 2.597 25 D HA 0.001 4.638 4.640 -0.005 0.000 0.228 25 D C -0.174 175.933 176.300 -0.322 0.000 1.120 25 D CA 0.500 54.328 54.000 -0.286 0.000 1.083 25 D CB -0.168 40.490 40.800 -0.237 0.000 1.116 25 D HN 0.277 nan 8.370 nan 0.000 0.487 26 F N 1.757 121.518 119.950 -0.315 0.000 2.412 26 F HA 0.140 4.664 4.527 -0.005 0.000 0.348 26 F C 0.449 176.086 175.800 -0.271 0.000 1.102 26 F CA -0.633 57.222 58.000 -0.242 0.000 1.196 26 F CB 0.952 39.938 39.000 -0.022 0.000 1.144 26 F HN -0.087 nan 8.300 nan 0.000 0.541 27 D N 6.956 126.857 120.400 -0.832 0.000 2.441 27 D HA 0.117 4.754 4.640 -0.005 0.000 0.231 27 D C 0.842 176.638 176.300 -0.839 0.000 1.073 27 D CA -0.451 53.206 54.000 -0.572 0.000 0.850 27 D CB 1.077 41.643 40.800 -0.391 0.000 1.062 27 D HN 0.754 nan 8.370 nan 0.000 0.524 28 M N 2.102 121.379 119.600 -0.538 0.000 2.446 28 M HA -0.079 4.398 4.480 -0.005 0.000 0.263 28 M C 0.139 176.151 176.300 -0.479 0.000 1.066 28 M CA 1.242 56.208 55.300 -0.556 0.000 1.087 28 M CB -0.196 32.217 32.600 -0.311 0.000 1.406 28 M HN 0.211 nan 8.290 nan 0.000 0.459 29 Y N 0.749 120.969 120.300 -0.133 0.000 2.485 29 Y HA 0.321 4.868 4.550 -0.005 0.000 0.260 29 Y C 0.448 176.302 175.900 -0.076 0.000 1.173 29 Y CA -0.285 57.786 58.100 -0.048 0.000 1.252 29 Y CB 0.350 38.794 38.460 -0.026 0.000 1.123 29 Y HN 0.482 nan 8.280 nan 0.000 0.524 30 N N 0.801 119.448 118.700 -0.088 0.000 3.091 30 N HA 0.052 4.789 4.740 -0.005 0.000 0.185 30 N C -3.389 171.964 175.510 -0.261 0.000 1.398 30 N CA -0.821 52.170 53.050 -0.098 0.000 0.938 30 N CB 0.845 39.302 38.487 -0.050 0.000 1.605 30 N HN -0.165 nan 8.380 nan 0.000 0.597 31 P HA 0.096 nan 4.420 nan 0.000 0.271 31 P C 0.817 177.966 177.300 -0.252 0.000 1.216 31 P CA 0.059 62.830 63.100 -0.549 0.000 0.776 31 P CB 1.563 32.880 31.700 -0.638 0.000 0.881 32 S N 2.095 117.654 115.700 -0.236 0.000 2.381 32 S HA -0.222 4.245 4.470 -0.005 0.000 0.230 32 S C 1.531 176.104 174.600 -0.045 0.000 1.052 32 S CA 1.958 60.087 58.200 -0.117 0.000 1.068 32 S CB -0.731 62.413 63.200 -0.094 0.000 0.918 32 S HN 0.608 nan 8.310 nan 0.000 0.448 33 N N 0.862 119.560 118.700 -0.005 0.000 2.370 33 N HA 0.128 4.865 4.740 -0.005 0.000 0.198 33 N C 1.077 176.623 175.510 0.061 0.000 1.156 33 N CA -0.107 52.968 53.050 0.043 0.000 0.839 33 N CB -0.299 38.240 38.487 0.086 0.000 0.989 33 N HN 0.150 nan 8.380 nan 0.000 0.468 34 L N 0.222 121.473 121.223 0.046 0.000 2.064 34 L HA -0.240 4.097 4.340 -0.005 0.000 0.216 34 L C 2.250 179.155 176.870 0.059 0.000 1.077 34 L CA 1.736 56.626 54.840 0.083 0.000 0.766 34 L CB -1.389 40.710 42.059 0.066 0.000 0.890 34 L HN 0.239 nan 8.230 nan 0.000 0.435 35 S N -1.145 114.572 115.700 0.027 0.000 2.387 35 S HA -0.224 4.243 4.470 -0.005 0.000 0.230 35 S C 2.018 176.617 174.600 -0.002 0.000 1.035 35 S CA 1.352 59.555 58.200 0.004 0.000 1.014 35 S CB -0.427 62.776 63.200 0.005 0.000 0.836 35 S HN 0.629 nan 8.310 nan 0.000 0.466 36 A N -0.064 122.774 122.820 0.030 0.000 2.167 36 A HA 0.510 4.827 4.320 -0.005 0.000 0.214 36 A C 1.175 178.797 177.584 0.063 0.000 1.151 36 A CA 0.834 52.897 52.037 0.043 0.000 0.735 36 A CB -0.782 18.255 19.000 0.061 0.000 0.802 36 A HN 1.443 nan 8.150 nan 0.000 0.467 37 G N -2.333 106.514 108.800 0.079 0.000 2.801 37 G HA2 0.159 4.116 3.960 -0.005 0.000 0.648 37 G HA3 0.159 4.116 3.960 -0.005 0.000 0.648 37 G C 0.310 175.425 174.900 0.358 0.000 1.415 37 G CA -0.142 45.066 45.100 0.179 0.000 0.887 37 G HN 0.767 nan 8.290 nan 0.000 0.627 38 V N 1.826 122.119 119.914 0.632 0.000 2.282 38 V HA -0.231 3.886 4.120 -0.005 0.000 0.249 38 V C 2.747 179.069 176.094 0.379 0.000 1.057 38 V CA 3.418 66.013 62.300 0.491 0.000 1.032 38 V CB -0.347 31.756 31.823 0.467 0.000 0.645 38 V HN 0.834 nan 8.190 nan 0.000 0.447 39 Q N -0.251 119.663 119.800 0.190 0.000 2.084 39 Q HA -0.222 4.115 4.340 -0.005 0.000 0.202 39 Q C 2.089 178.179 176.000 0.151 0.000 0.978 39 Q CA 2.222 58.056 55.803 0.051 0.000 0.844 39 Q CB -0.284 28.389 28.738 -0.109 0.000 0.898 39 Q HN 0.723 nan 8.270 nan 0.000 0.426 40 E N 0.040 120.343 120.200 0.170 0.000 2.110 40 E HA -0.131 4.215 4.350 -0.005 0.000 0.193 40 E C 1.806 178.528 176.600 0.203 0.000 0.988 40 E CA 1.186 57.675 56.400 0.148 0.000 0.804 40 E CB -0.343 29.433 29.700 0.127 0.000 0.745 40 E HN 0.409 nan 8.360 nan 0.000 0.458 41 A N -0.183 122.800 122.820 0.272 0.000 1.972 41 A HA -0.166 4.151 4.320 -0.005 0.000 0.219 41 A C 1.643 179.457 177.584 0.384 0.000 1.169 41 A CA 1.240 53.444 52.037 0.278 0.000 0.635 41 A CB -0.828 18.314 19.000 0.238 0.000 0.810 41 A HN 0.362 nan 8.150 nan 0.000 0.446 42 W N -0.589 120.841 121.300 0.216 0.000 2.523 42 W HA 0.227 4.884 4.660 -0.005 0.000 0.278 42 W C 2.614 179.097 176.519 -0.060 0.000 1.236 42 W CA 0.721 58.135 57.345 0.114 0.000 1.306 42 W CB -0.293 29.184 29.460 0.029 0.000 1.101 42 W HN 0.336 nan 8.180 nan 0.000 0.577 43 A N 0.614 123.558 122.820 0.207 0.000 2.076 43 A HA -0.182 4.135 4.320 -0.005 0.000 0.220 43 A C 2.046 179.650 177.584 0.034 0.000 1.160 43 A CA 2.092 54.170 52.037 0.070 0.000 0.653 43 A CB -1.312 17.718 19.000 0.049 0.000 0.801 43 A HN 0.284 nan 8.150 nan 0.000 0.455 44 V N -2.052 117.917 119.914 0.091 0.000 2.546 44 V HA -0.227 3.890 4.120 -0.005 0.000 0.254 44 V C 2.028 178.106 176.094 -0.027 0.000 1.076 44 V CA 2.104 64.460 62.300 0.094 0.000 1.087 44 V CB -0.948 31.005 31.823 0.216 0.000 0.674 44 V HN 0.452 nan 8.190 nan 0.000 0.470 45 L N -0.439 120.688 121.223 -0.159 0.000 2.551 45 L HA 0.005 4.342 4.340 -0.005 0.000 0.228 45 L C 2.423 179.112 176.870 -0.302 0.000 1.153 45 L CA 1.142 55.730 54.840 -0.421 0.000 0.851 45 L CB -0.379 41.377 42.059 -0.505 0.000 0.959 45 L HN 0.422 nan 8.230 nan 0.000 0.451 46 Q N -0.610 119.089 119.800 -0.169 0.000 2.188 46 Q HA 0.128 4.465 4.340 -0.005 0.000 0.212 46 Q C -0.118 175.824 176.000 -0.097 0.000 0.846 46 Q CA -0.179 55.545 55.803 -0.132 0.000 0.989 46 Q CB 0.614 29.294 28.738 -0.096 0.000 1.114 46 Q HN 0.417 nan 8.270 nan 0.000 0.488 47 E N -0.093 120.050 120.200 -0.094 0.000 2.390 47 E HA 0.051 4.398 4.350 -0.005 0.000 0.261 47 E C 0.683 177.250 176.600 -0.055 0.000 1.076 47 E CA -0.165 56.204 56.400 -0.051 0.000 0.905 47 E CB 0.870 30.561 29.700 -0.014 0.000 0.984 47 E HN 0.081 nan 8.360 nan 0.000 0.427 48 S N 1.919 117.600 115.700 -0.032 0.000 2.426 48 S HA -0.303 4.164 4.470 -0.005 0.000 0.253 48 S C 0.905 175.488 174.600 -0.028 0.000 1.104 48 S CA 2.243 60.426 58.200 -0.027 0.000 1.158 48 S CB -0.336 62.856 63.200 -0.012 0.000 1.043 48 S HN 0.524 nan 8.310 nan 0.000 0.443 49 N N -0.054 118.634 118.700 -0.020 0.000 2.238 49 N HA 0.249 4.986 4.740 -0.005 0.000 0.222 49 N C -1.092 174.402 175.510 -0.027 0.000 1.133 49 N CA -0.129 52.913 53.050 -0.012 0.000 0.854 49 N CB 0.909 39.404 38.487 0.012 0.000 1.041 49 N HN 0.089 nan 8.380 nan 0.000 0.510 50 V N 2.829 122.692 119.914 -0.085 0.000 2.465 50 V HA 0.303 4.420 4.120 -0.005 0.000 0.279 50 V C -1.612 174.402 176.094 -0.133 0.000 1.045 50 V CA -1.510 60.691 62.300 -0.166 0.000 0.938 50 V CB 1.116 32.721 31.823 -0.363 0.000 0.986 50 V HN 0.117 nan 8.190 nan 0.000 0.467 51 P HA 0.236 nan 4.420 nan 0.000 0.275 51 P C 0.025 177.260 177.300 -0.108 0.000 1.266 51 P CA -0.373 62.687 63.100 -0.068 0.000 0.793 51 P CB 0.996 32.693 31.700 -0.005 0.000 1.074 52 D N -1.000 119.334 120.400 -0.110 0.000 2.218 52 D HA -0.023 4.614 4.640 -0.005 0.000 0.204 52 D C 0.374 176.593 176.300 -0.135 0.000 0.976 52 D CA 1.443 55.350 54.000 -0.154 0.000 0.853 52 D CB -0.157 40.512 40.800 -0.218 0.000 0.939 52 D HN 0.073 nan 8.370 nan 0.000 0.481 53 L N 0.264 121.445 121.223 -0.071 0.000 2.476 53 L HA 0.354 4.691 4.340 -0.005 0.000 0.269 53 L C -0.865 176.093 176.870 0.145 0.000 0.965 53 L CA -0.936 53.916 54.840 0.020 0.000 0.845 53 L CB 1.961 44.000 42.059 -0.034 0.000 1.259 53 L HN -0.145 nan 8.230 nan 0.000 0.403 54 V N 1.236 121.288 119.914 0.229 0.000 3.126 54 V HA 0.705 4.822 4.120 -0.005 0.000 0.314 54 V C -1.532 174.810 176.094 0.413 0.000 1.138 54 V CA -0.748 61.718 62.300 0.276 0.000 1.034 54 V CB 2.191 34.075 31.823 0.101 0.000 1.075 54 V HN 0.924 nan 8.190 nan 0.000 0.442 55 W N 1.721 123.044 121.300 0.040 0.000 2.600 55 W HA 0.657 5.315 4.660 -0.003 0.000 0.325 55 W C -1.085 175.309 176.519 -0.209 0.000 1.034 55 W CA -0.254 56.928 57.345 -0.272 0.000 1.226 55 W CB 1.891 30.959 29.460 -0.653 0.000 1.379 55 W HN 0.868 nan 8.180 nan 0.000 0.466 56 T N 5.567 119.614 114.554 -0.845 0.000 2.794 56 T HA 0.358 4.705 4.350 -0.005 0.000 0.280 56 T C 0.975 175.238 174.700 -0.728 0.000 0.987 56 T CA -0.406 61.344 62.100 -0.584 0.000 0.993 56 T CB 0.954 69.514 68.868 -0.513 0.000 0.939 56 T HN 0.611 nan 8.240 nan 0.000 0.449 57 R N 2.325 122.668 120.500 -0.263 0.000 2.313 57 R HA 0.163 4.500 4.340 -0.005 0.000 0.199 57 R C 0.506 176.728 176.300 -0.130 0.000 0.958 57 R CA -0.167 55.883 56.100 -0.085 0.000 1.047 57 R CB -0.393 29.934 30.300 0.044 0.000 0.955 57 R HN 0.544 nan 8.270 nan 0.000 0.481 58 C N 0.979 120.153 119.300 -0.209 0.000 2.595 58 C HA 0.128 4.585 4.460 -0.005 0.000 0.384 58 C C 0.986 175.947 174.990 -0.048 0.000 1.289 58 C CA -0.484 58.460 59.018 -0.124 0.000 2.372 58 C CB 0.261 27.914 27.740 -0.146 0.000 2.593 58 C HN 0.695 nan 8.230 nan 0.000 0.639 59 N N 0.401 119.115 118.700 0.022 0.000 2.693 59 N HA -0.172 4.565 4.740 -0.005 0.000 0.249 59 N C 0.686 176.245 175.510 0.082 0.000 1.119 59 N CA 0.999 54.102 53.050 0.087 0.000 0.717 59 N CB -1.153 37.439 38.487 0.174 0.000 1.071 59 N HN 1.373 nan 8.380 nan 0.000 0.555 60 G N -1.961 106.868 108.800 0.050 0.000 2.195 60 G HA2 0.184 4.141 3.960 -0.005 0.000 0.224 60 G HA3 0.184 4.141 3.960 -0.005 0.000 0.224 60 G C 0.492 175.441 174.900 0.080 0.000 0.990 60 G CA 0.241 45.382 45.100 0.069 0.000 0.639 60 G HN 1.540 nan 8.290 nan 0.000 0.514 61 G N -0.582 108.192 108.800 -0.043 0.000 3.307 61 G HA2 0.556 4.513 3.960 -0.005 0.000 0.686 61 G HA3 0.556 4.513 3.960 -0.005 0.000 0.686 61 G C -0.504 173.938 174.900 -0.762 0.000 0.983 61 G CA 0.596 45.509 45.100 -0.311 0.000 0.804 61 G HN 2.826 nan 8.290 nan 0.000 0.531 62 H N -1.673 116.316 119.070 -1.802 0.000 3.024 62 H HA 0.622 5.175 4.556 -0.005 0.000 0.324 62 H C -0.505 174.135 175.328 -1.146 0.000 1.347 62 H CA -1.588 53.664 56.048 -1.327 0.000 1.182 62 H CB 0.140 29.622 29.762 -0.466 0.000 1.889 62 H HN 0.656 nan 8.280 nan 0.000 0.528 63 W N 1.157 122.351 121.300 -0.177 0.000 2.161 63 W HA 0.568 5.224 4.660 -0.007 0.000 0.344 63 W C -0.198 176.355 176.519 0.058 0.000 1.262 63 W CA -0.471 56.902 57.345 0.048 0.000 1.270 63 W CB 0.742 30.339 29.460 0.229 0.000 1.126 63 W HN 0.419 nan 8.180 nan 0.000 0.598 64 I N 2.326 123.083 120.570 0.313 0.000 2.571 64 I HA 0.340 4.507 4.170 -0.005 0.000 0.289 64 I C -0.465 175.704 176.117 0.086 0.000 1.115 64 I CA -1.130 60.261 61.300 0.153 0.000 1.045 64 I CB 1.577 39.596 38.000 0.031 0.000 1.238 64 I HN 0.434 nan 8.210 nan 0.000 0.424 65 A N 3.332 126.165 122.820 0.022 0.000 2.269 65 A HA 0.499 4.816 4.320 -0.005 0.000 0.302 65 A C 0.928 178.464 177.584 -0.081 0.000 1.266 65 A CA -0.243 51.768 52.037 -0.044 0.000 0.894 65 A CB 0.189 19.140 19.000 -0.082 0.000 1.147 65 A HN 0.854 nan 8.150 nan 0.000 0.537 66 T N -0.096 114.388 114.554 -0.118 0.000 3.065 66 T HA 0.182 4.529 4.350 -0.005 0.000 0.252 66 T C 0.670 175.290 174.700 -0.134 0.000 1.099 66 T CA 0.140 62.153 62.100 -0.146 0.000 1.063 66 T CB 0.057 68.803 68.868 -0.204 0.000 0.948 66 T HN 0.511 nan 8.240 nan 0.000 0.506 67 R N 0.442 120.859 120.500 -0.138 0.000 2.670 67 R HA 0.564 4.901 4.340 -0.005 0.000 0.289 67 R C 1.507 177.733 176.300 -0.124 0.000 0.965 67 R CA -0.317 55.704 56.100 -0.132 0.000 0.899 67 R CB 1.196 31.408 30.300 -0.147 0.000 1.173 67 R HN 0.225 nan 8.270 nan 0.000 0.456 68 G N 1.253 109.990 108.800 -0.106 0.000 2.469 68 G HA2 -0.333 3.624 3.960 -0.005 0.000 0.220 68 G HA3 -0.333 3.624 3.960 -0.005 0.000 0.220 68 G C 1.074 175.907 174.900 -0.111 0.000 1.136 68 G CA 0.673 45.713 45.100 -0.100 0.000 0.759 68 G HN 0.621 nan 8.290 nan 0.000 0.562 69 Q N -0.673 119.060 119.800 -0.112 0.000 2.061 69 Q HA -0.114 4.223 4.340 -0.005 0.000 0.204 69 Q C 2.561 178.498 176.000 -0.105 0.000 0.984 69 Q CA 1.235 56.978 55.803 -0.099 0.000 0.846 69 Q CB -0.165 28.512 28.738 -0.101 0.000 0.902 69 Q HN 0.417 nan 8.270 nan 0.000 0.421 70 L N 0.302 121.413 121.223 -0.186 0.000 2.093 70 L HA -0.133 4.204 4.340 -0.005 0.000 0.208 70 L C 2.179 179.020 176.870 -0.049 0.000 1.085 70 L CA 1.221 55.962 54.840 -0.165 0.000 0.755 70 L CB -0.426 41.453 42.059 -0.299 0.000 0.904 70 L HN 0.268 nan 8.230 nan 0.000 0.435 71 I N -0.930 119.582 120.570 -0.097 0.000 2.179 71 I HA -0.325 3.842 4.170 -0.005 0.000 0.242 71 I C 2.593 178.696 176.117 -0.024 0.000 1.088 71 I CA 1.237 62.484 61.300 -0.088 0.000 1.357 71 I CB -0.247 37.734 38.000 -0.030 0.000 1.051 71 I HN 0.203 nan 8.210 nan 0.000 0.409 72 R N 0.370 120.819 120.500 -0.084 0.000 2.073 72 R HA -0.203 4.134 4.340 -0.005 0.000 0.234 72 R C 2.259 178.594 176.300 0.057 0.000 1.134 72 R CA 1.614 57.589 56.100 -0.208 0.000 0.952 72 R CB -0.417 29.628 30.300 -0.425 0.000 0.850 72 R HN 0.401 nan 8.270 nan 0.000 0.433 73 E N 0.850 121.108 120.200 0.097 0.000 2.038 73 E HA -0.226 4.121 4.350 -0.005 0.000 0.195 73 E C 2.013 178.727 176.600 0.189 0.000 1.000 73 E CA 1.362 57.895 56.400 0.223 0.000 0.803 73 E CB -0.090 29.822 29.700 0.353 0.000 0.750 73 E HN 0.370 nan 8.360 nan 0.000 0.448 74 A N 0.015 122.808 122.820 -0.044 0.000 1.908 74 A HA -0.204 4.113 4.320 -0.005 0.000 0.218 74 A C 1.952 179.410 177.584 -0.211 0.000 1.181 74 A CA 1.564 53.248 52.037 -0.589 0.000 0.627 74 A CB -0.922 17.352 19.000 -1.211 0.000 0.818 74 A HN 0.452 nan 8.150 nan 0.000 0.445 75 Y N 0.130 120.449 120.300 0.032 0.000 2.293 75 Y HA -0.092 4.455 4.550 -0.004 0.000 0.291 75 Y C 2.375 178.439 175.900 0.273 0.000 1.137 75 Y CA 1.479 59.681 58.100 0.170 0.000 1.202 75 Y CB -0.283 38.305 38.460 0.213 0.000 0.990 75 Y HN 0.480 nan 8.280 nan 0.000 0.537 76 E N -0.860 119.594 120.200 0.424 0.000 2.216 76 E HA -0.135 4.212 4.350 -0.005 0.000 0.192 76 E C 0.422 177.184 176.600 0.270 0.000 0.988 76 E CA 0.805 57.415 56.400 0.350 0.000 0.834 76 E CB 0.054 29.937 29.700 0.304 0.000 0.772 76 E HN 0.138 nan 8.360 nan 0.000 0.479 77 D N 0.214 120.771 120.400 0.262 0.000 2.631 77 D HA -0.025 4.612 4.640 -0.005 0.000 0.227 77 D C 0.463 176.842 176.300 0.132 0.000 1.146 77 D CA -0.412 53.676 54.000 0.147 0.000 1.009 77 D CB -0.168 40.808 40.800 0.294 0.000 1.057 77 D HN 0.197 nan 8.370 nan 0.000 0.509 78 Y N 0.770 121.166 120.300 0.159 0.000 2.421 78 Y HA 0.023 4.570 4.550 -0.004 0.000 0.292 78 Y C 1.878 177.771 175.900 -0.011 0.000 1.136 78 Y CA 0.374 58.549 58.100 0.126 0.000 1.255 78 Y CB -0.425 38.123 38.460 0.146 0.000 0.991 78 Y HN 0.001 nan 8.280 nan 0.000 0.552 79 R N -0.007 120.234 120.500 -0.432 0.000 2.096 79 R HA -0.105 4.232 4.340 -0.005 0.000 0.235 79 R C 1.620 177.588 176.300 -0.553 0.000 1.127 79 R CA 2.208 58.041 56.100 -0.446 0.000 0.968 79 R CB -0.531 29.386 30.300 -0.639 0.000 0.861 79 R HN 0.614 nan 8.270 nan 0.000 0.440 80 H N -2.745 116.022 119.070 -0.505 0.000 2.486 80 H HA 0.177 4.730 4.556 -0.004 0.000 0.287 80 H C -0.326 174.499 175.328 -0.838 0.000 1.010 80 H CA 0.402 55.946 56.048 -0.839 0.000 1.324 80 H CB 0.448 29.302 29.762 -1.513 0.000 1.446 80 H HN -0.015 nan 8.280 nan 0.000 0.537 81 F N 1.064 121.001 119.950 -0.020 0.000 2.366 81 F HA 0.289 4.812 4.527 -0.006 0.000 0.357 81 F C 0.283 176.110 175.800 0.045 0.000 1.107 81 F CA -0.850 57.140 58.000 -0.017 0.000 1.208 81 F CB 0.917 39.860 39.000 -0.094 0.000 1.464 81 F HN -0.101 nan 8.300 nan 0.000 0.501 82 S N 0.641 116.434 115.700 0.155 0.000 2.580 82 S HA 0.177 4.644 4.470 -0.005 0.000 0.274 82 S C 1.205 175.883 174.600 0.129 0.000 1.329 82 S CA -0.413 57.877 58.200 0.150 0.000 1.036 82 S CB 1.005 64.262 63.200 0.096 0.000 0.919 82 S HN 0.489 nan 8.310 nan 0.000 0.515 83 S N 3.065 118.833 115.700 0.114 0.000 2.603 83 S HA 0.053 4.520 4.470 -0.005 0.000 0.220 83 S C 1.620 176.242 174.600 0.036 0.000 0.967 83 S CA -0.208 58.006 58.200 0.024 0.000 0.920 83 S CB -0.195 62.933 63.200 -0.120 0.000 0.773 83 S HN 0.756 nan 8.310 nan 0.000 0.529 84 E N 0.469 120.711 120.200 0.071 0.000 2.086 84 E HA -0.210 4.137 4.350 -0.005 0.000 0.200 84 E C 0.671 177.305 176.600 0.056 0.000 1.012 84 E CA 0.946 57.390 56.400 0.072 0.000 0.812 84 E CB 0.008 29.750 29.700 0.069 0.000 0.743 84 E HN 0.412 nan 8.360 nan 0.000 0.453 85 C N 1.808 121.129 119.300 0.035 0.000 2.816 85 C HA 0.337 4.794 4.460 -0.005 0.000 0.255 85 C C -1.742 173.235 174.990 -0.023 0.000 1.141 85 C CA -1.534 57.491 59.018 0.011 0.000 1.554 85 C CB 0.487 28.252 27.740 0.041 0.000 1.778 85 C HN 0.199 nan 8.230 nan 0.000 0.429 86 P HA 0.061 nan 4.420 nan 0.000 0.245 86 P C 0.449 177.746 177.300 -0.004 0.000 1.203 86 P CA 0.445 63.482 63.100 -0.104 0.000 0.792 86 P CB 0.256 31.817 31.700 -0.232 0.000 0.997 87 W N 0.466 121.486 121.300 -0.466 0.000 2.512 87 W HA 0.526 5.183 4.660 -0.005 0.000 0.335 87 W C -0.382 175.992 176.519 -0.243 0.000 1.088 87 W CA -0.730 56.380 57.345 -0.392 0.000 1.236 87 W CB 1.607 30.745 29.460 -0.537 0.000 1.307 87 W HN -0.327 nan 8.180 nan 0.000 0.567 88 I N 5.175 125.692 120.570 -0.089 0.000 2.474 88 I HA 0.245 4.412 4.170 -0.005 0.000 0.294 88 I C -1.687 174.481 176.117 0.085 0.000 1.005 88 I CA -2.303 58.945 61.300 -0.087 0.000 1.113 88 I CB 2.576 40.392 38.000 -0.307 0.000 1.289 88 I HN 0.037 nan 8.210 nan 0.000 0.436 89 P HA 0.115 nan 4.420 nan 0.000 0.273 89 P C 0.333 177.663 177.300 0.049 0.000 1.250 89 P CA -0.339 62.802 63.100 0.068 0.000 0.793 89 P CB 0.947 32.694 31.700 0.079 0.000 1.011 90 R N 0.600 121.127 120.500 0.046 0.000 2.113 90 R HA -0.250 4.087 4.340 -0.005 0.000 0.244 90 R C 1.900 178.232 176.300 0.054 0.000 1.142 90 R CA 2.275 58.406 56.100 0.051 0.000 0.953 90 R CB -0.474 29.866 30.300 0.067 0.000 0.860 90 R HN 0.411 nan 8.270 nan 0.000 0.438 91 E N 0.109 120.347 120.200 0.063 0.000 2.070 91 E HA -0.214 4.133 4.350 -0.005 0.000 0.197 91 E C 1.843 178.492 176.600 0.081 0.000 1.004 91 E CA 1.782 58.226 56.400 0.073 0.000 0.805 91 E CB -0.370 29.378 29.700 0.079 0.000 0.744 91 E HN 0.524 nan 8.360 nan 0.000 0.451 92 A N 0.444 123.304 122.820 0.065 0.000 1.877 92 A HA -0.073 4.244 4.320 -0.005 0.000 0.216 92 A C 2.502 179.964 177.584 -0.203 0.000 1.186 92 A CA 1.848 53.854 52.037 -0.053 0.000 0.620 92 A CB -1.281 17.706 19.000 -0.021 0.000 0.822 92 A HN 0.361 nan 8.150 nan 0.000 0.443 93 G N -0.765 108.002 108.800 -0.055 0.000 2.448 93 G HA2 -0.186 3.771 3.960 -0.005 0.000 0.219 93 G HA3 -0.186 3.771 3.960 -0.005 0.000 0.219 93 G C 1.412 176.319 174.900 0.013 0.000 1.127 93 G CA 1.034 46.110 45.100 -0.039 0.000 0.766 93 G HN 0.661 nan 8.290 nan 0.000 0.552 94 E N 0.122 120.345 120.200 0.039 0.000 2.152 94 E HA 0.111 4.458 4.350 -0.005 0.000 0.192 94 E C 2.700 179.347 176.600 0.078 0.000 0.983 94 E CA 0.630 57.066 56.400 0.060 0.000 0.818 94 E CB -0.036 29.700 29.700 0.060 0.000 0.758 94 E HN 0.409 nan 8.360 nan 0.000 0.467 95 A N 0.537 123.423 122.820 0.109 0.000 2.169 95 A HA 0.008 4.325 4.320 -0.005 0.000 0.212 95 A C 0.620 178.302 177.584 0.163 0.000 1.153 95 A CA -0.241 51.881 52.037 0.143 0.000 0.756 95 A CB -0.298 18.840 19.000 0.231 0.000 0.813 95 A HN 0.245 nan 8.150 nan 0.000 0.471 96 F N 2.570 122.485 119.950 -0.060 0.000 2.512 96 F HA 0.165 4.690 4.527 -0.005 0.000 0.350 96 F C 0.577 176.266 175.800 -0.186 0.000 1.212 96 F CA -0.258 57.638 58.000 -0.173 0.000 1.099 96 F CB 0.545 39.297 39.000 -0.413 0.000 1.238 96 F HN 0.336 nan 8.300 nan 0.000 0.600 97 D N 4.313 124.523 120.400 -0.317 0.000 2.462 97 D HA 0.014 4.651 4.640 -0.005 0.000 0.221 97 D C 0.059 176.208 176.300 -0.252 0.000 1.173 97 D CA -0.323 53.570 54.000 -0.178 0.000 0.831 97 D CB -0.678 40.059 40.800 -0.106 0.000 1.001 97 D HN 0.127 nan 8.370 nan 0.000 0.499 98 F N 1.159 120.914 119.950 -0.325 0.000 2.595 98 F HA 0.172 4.696 4.527 -0.005 0.000 0.359 98 F C 1.256 176.994 175.800 -0.103 0.000 1.147 98 F CA -0.128 57.712 58.000 -0.267 0.000 1.341 98 F CB 0.395 39.081 39.000 -0.523 0.000 1.104 98 F HN -0.118 nan 8.300 nan 0.000 0.603 99 I N 5.131 125.781 120.570 0.133 0.000 2.441 99 I HA 0.234 4.401 4.170 -0.005 0.000 0.295 99 I C -1.668 174.496 176.117 0.080 0.000 0.994 99 I CA -1.719 59.575 61.300 -0.010 0.000 1.144 99 I CB 2.455 40.303 38.000 -0.252 0.000 1.314 99 I HN 0.383 nan 8.210 nan 0.000 0.445 100 P HA 0.100 nan 4.420 nan 0.000 0.275 100 P C 0.962 178.437 177.300 0.292 0.000 1.310 100 P CA 0.179 63.357 63.100 0.130 0.000 0.904 100 P CB 0.366 32.161 31.700 0.159 0.000 1.381 101 T N 0.513 115.264 114.554 0.328 0.000 2.803 101 T HA -0.118 4.229 4.350 -0.005 0.000 0.269 101 T C 1.743 176.607 174.700 0.273 0.000 1.052 101 T CA 2.174 64.490 62.100 0.360 0.000 1.136 101 T CB -0.634 68.470 68.868 0.394 0.000 0.864 101 T HN 0.312 nan 8.240 nan 0.000 0.467 102 S N 0.085 115.985 115.700 0.333 0.000 2.671 102 S HA 0.318 4.785 4.470 -0.005 0.000 0.220 102 S C 0.410 175.110 174.600 0.167 0.000 0.951 102 S CA -0.408 57.948 58.200 0.260 0.000 0.932 102 S CB -0.548 62.839 63.200 0.313 0.000 0.777 102 S HN 0.366 nan 8.310 nan 0.000 0.508 103 M N 1.474 121.198 119.600 0.206 0.000 2.602 103 M HA 0.540 5.017 4.480 -0.005 0.000 0.312 103 M C -1.135 175.316 176.300 0.251 0.000 1.181 103 M CA -0.733 54.669 55.300 0.170 0.000 0.910 103 M CB 1.677 34.341 32.600 0.107 0.000 1.723 103 M HN -0.007 nan 8.290 nan 0.000 0.459 104 D N 1.270 121.766 120.400 0.160 0.000 2.272 104 D HA 0.500 5.137 4.640 -0.005 0.000 0.247 104 D C -2.522 173.737 176.300 -0.068 0.000 0.990 104 D CA -1.254 52.811 54.000 0.107 0.000 0.931 104 D CB 1.305 42.183 40.800 0.130 0.000 1.195 104 D HN 0.143 nan 8.370 nan 0.000 0.477 105 P HA 0.078 nan 4.420 nan 0.000 0.270 105 P C -1.704 175.474 177.300 -0.205 0.000 1.223 105 P CA -0.775 62.108 63.100 -0.363 0.000 0.785 105 P CB 0.354 31.619 31.700 -0.724 0.000 0.923 106 P HA -0.056 nan 4.420 nan 0.000 0.224 106 P C 0.650 177.941 177.300 -0.015 0.000 1.157 106 P CA 1.221 64.289 63.100 -0.054 0.000 0.799 106 P CB 0.170 31.865 31.700 -0.007 0.000 0.809 107 E N 0.413 120.632 120.200 0.032 0.000 2.265 107 E HA -0.182 4.165 4.350 -0.005 0.000 0.196 107 E C 2.233 178.946 176.600 0.189 0.000 0.996 107 E CA 0.750 57.214 56.400 0.107 0.000 0.832 107 E CB -0.829 28.957 29.700 0.145 0.000 0.756 107 E HN 0.386 nan 8.360 nan 0.000 0.491 108 Q N 0.982 120.847 119.800 0.110 0.000 2.079 108 Q HA -0.161 4.176 4.340 -0.005 0.000 0.200 108 Q C 1.893 177.967 176.000 0.124 0.000 0.974 108 Q CA 1.094 56.978 55.803 0.135 0.000 0.840 108 Q CB 0.085 28.810 28.738 -0.021 0.000 0.898 108 Q HN 0.272 nan 8.270 nan 0.000 0.430 109 R N 0.626 121.132 120.500 0.010 0.000 2.094 109 R HA -0.236 4.101 4.340 -0.005 0.000 0.239 109 R C 2.556 178.845 176.300 -0.019 0.000 1.137 109 R CA 2.077 58.162 56.100 -0.024 0.000 0.943 109 R CB -0.796 29.470 30.300 -0.057 0.000 0.850 109 R HN 0.551 nan 8.270 nan 0.000 0.433 110 Q N 0.291 120.045 119.800 -0.076 0.000 2.173 110 Q HA -0.212 4.125 4.340 -0.005 0.000 0.208 110 Q C 1.747 177.605 176.000 -0.237 0.000 0.989 110 Q CA 1.952 57.628 55.803 -0.210 0.000 0.872 110 Q CB -0.479 28.039 28.738 -0.367 0.000 0.909 110 Q HN 0.362 nan 8.270 nan 0.000 0.420 111 F N 0.685 120.629 119.950 -0.010 0.000 2.270 111 F HA 0.132 4.656 4.527 -0.005 0.000 0.295 111 F C 2.754 178.556 175.800 0.002 0.000 1.087 111 F CA 0.759 58.762 58.000 0.004 0.000 1.365 111 F CB -0.205 38.808 39.000 0.021 0.000 1.056 111 F HN -0.029 nan 8.300 nan 0.000 0.506 112 R N 0.963 121.570 120.500 0.179 0.000 2.105 112 R HA -0.188 4.149 4.340 -0.005 0.000 0.239 112 R C 2.268 178.596 176.300 0.048 0.000 1.135 112 R CA 1.381 57.532 56.100 0.084 0.000 0.967 112 R CB -0.455 29.851 30.300 0.010 0.000 0.861 112 R HN 0.279 nan 8.270 nan 0.000 0.442 113 A N 1.015 123.847 122.820 0.021 0.000 1.902 113 A HA -0.165 4.152 4.320 -0.005 0.000 0.217 113 A C 2.019 179.610 177.584 0.012 0.000 1.181 113 A CA 1.240 53.277 52.037 0.000 0.000 0.623 113 A CB -0.588 18.396 19.000 -0.028 0.000 0.818 113 A HN 0.387 nan 8.150 nan 0.000 0.443 114 L N -0.165 121.072 121.223 0.022 0.000 2.017 114 L HA -0.054 4.283 4.340 -0.005 0.000 0.208 114 L C 2.662 179.564 176.870 0.052 0.000 1.073 114 L CA 2.270 57.129 54.840 0.032 0.000 0.745 114 L CB -0.887 41.200 42.059 0.047 0.000 0.894 114 L HN 0.337 nan 8.230 nan 0.000 0.432 115 A N -0.549 122.317 122.820 0.078 0.000 1.933 115 A HA -0.266 4.051 4.320 -0.005 0.000 0.218 115 A C 2.185 179.799 177.584 0.051 0.000 1.175 115 A CA 1.804 53.885 52.037 0.073 0.000 0.628 115 A CB -0.993 18.060 19.000 0.088 0.000 0.814 115 A HN 0.603 nan 8.150 nan 0.000 0.444 116 N N -0.020 118.704 118.700 0.039 0.000 2.223 116 N HA -0.172 4.565 4.740 -0.005 0.000 0.185 116 N C 1.830 177.356 175.510 0.027 0.000 1.016 116 N CA 1.686 54.754 53.050 0.030 0.000 0.863 116 N CB -0.336 38.163 38.487 0.021 0.000 0.983 116 N HN 0.652 nan 8.380 nan 0.000 0.429 117 Q N -0.666 119.147 119.800 0.022 0.000 2.170 117 Q HA -0.080 4.257 4.340 -0.005 0.000 0.203 117 Q C 1.759 177.769 176.000 0.016 0.000 0.976 117 Q CA 1.565 57.377 55.803 0.014 0.000 0.858 117 Q CB 0.076 28.819 28.738 0.008 0.000 0.907 117 Q HN 0.484 nan 8.270 nan 0.000 0.433 118 V N -2.754 117.176 119.914 0.026 0.000 3.506 118 V HA 0.062 4.179 4.120 -0.005 0.000 0.263 118 V C 1.519 177.631 176.094 0.029 0.000 1.203 118 V CA 0.566 62.879 62.300 0.022 0.000 1.133 118 V CB 0.413 32.252 31.823 0.027 0.000 0.802 118 V HN 0.240 nan 8.190 nan 0.000 0.459 119 V N -2.785 117.153 119.914 0.040 0.000 3.382 119 V HA 0.689 4.806 4.120 -0.005 0.000 0.296 119 V C 1.050 177.172 176.094 0.046 0.000 1.529 119 V CA 0.225 62.554 62.300 0.048 0.000 1.048 119 V CB -0.563 31.301 31.823 0.068 0.000 0.878 119 V HN 0.413 nan 8.190 nan 0.000 0.442 120 G N -0.159 108.668 108.800 0.046 0.000 2.653 120 G HA2 0.326 4.283 3.960 -0.005 0.000 0.265 120 G HA3 0.326 4.283 3.960 -0.005 0.000 0.265 120 G C 0.549 175.487 174.900 0.063 0.000 1.237 120 G CA 0.249 45.392 45.100 0.072 0.000 0.946 120 G HN 0.180 nan 8.290 nan 0.000 0.522 121 M N 1.092 120.725 119.600 0.056 0.000 2.204 121 M HA -0.121 4.356 4.480 -0.005 0.000 0.255 121 M C -0.100 176.182 176.300 -0.030 0.000 1.073 121 M CA 2.509 57.778 55.300 -0.052 0.000 1.084 121 M CB -1.131 31.333 32.600 -0.228 0.000 1.289 121 M HN 0.377 nan 8.290 nan 0.000 0.419 122 P HA -0.194 nan 4.420 nan 0.000 0.217 122 P C 1.734 179.029 177.300 -0.009 0.000 1.162 122 P CA 1.922 65.009 63.100 -0.020 0.000 0.901 122 P CB -0.269 31.421 31.700 -0.017 0.000 0.793 123 V N -0.784 119.129 119.914 -0.001 0.000 2.407 123 V HA -0.186 3.931 4.120 -0.005 0.000 0.248 123 V C 2.438 178.535 176.094 0.004 0.000 1.055 123 V CA 1.679 63.979 62.300 0.000 0.000 1.049 123 V CB -1.118 30.707 31.823 0.004 0.000 0.662 123 V HN -0.020 nan 8.190 nan 0.000 0.455 124 V N -0.089 119.833 119.914 0.013 0.000 2.427 124 V HA -0.215 3.902 4.120 -0.005 0.000 0.248 124 V C 2.236 178.339 176.094 0.015 0.000 1.051 124 V CA 1.934 64.246 62.300 0.020 0.000 1.048 124 V CB -0.658 31.189 31.823 0.041 0.000 0.666 124 V HN 0.566 nan 8.190 nan 0.000 0.456 125 D N -0.012 120.391 120.400 0.004 0.000 2.178 125 D HA -0.131 4.506 4.640 -0.005 0.000 0.201 125 D C 2.198 178.502 176.300 0.007 0.000 0.980 125 D CA 0.895 54.897 54.000 0.004 0.000 0.842 125 D CB -0.067 40.728 40.800 -0.007 0.000 0.948 125 D HN 0.335 nan 8.370 nan 0.000 0.472 126 K N 0.931 121.333 120.400 0.003 0.000 1.978 126 K HA -0.074 4.243 4.320 -0.005 0.000 0.214 126 K C 2.417 179.022 176.600 0.008 0.000 1.049 126 K CA 0.421 56.709 56.287 0.002 0.000 0.939 126 K CB -1.027 31.471 32.500 -0.004 0.000 0.721 126 K HN 0.227 nan 8.250 nan 0.000 0.441 127 L N 1.804 123.032 121.223 0.007 0.000 2.450 127 L HA -0.175 4.162 4.340 -0.005 0.000 0.225 127 L C 2.383 179.271 176.870 0.029 0.000 1.145 127 L CA 0.683 55.529 54.840 0.011 0.000 0.801 127 L CB -0.354 41.706 42.059 0.001 0.000 0.924 127 L HN 0.214 nan 8.230 nan 0.000 0.447 128 E N 0.822 121.042 120.200 0.034 0.000 2.068 128 E HA -0.285 4.062 4.350 -0.005 0.000 0.207 128 E C 1.789 178.426 176.600 0.063 0.000 1.032 128 E CA 2.015 58.446 56.400 0.052 0.000 0.839 128 E CB -0.381 29.345 29.700 0.043 0.000 0.758 128 E HN 0.676 nan 8.360 nan 0.000 0.457 129 N N -0.098 118.632 118.700 0.049 0.000 2.188 129 N HA -0.106 4.631 4.740 -0.005 0.000 0.184 129 N C 1.928 177.476 175.510 0.063 0.000 1.018 129 N CA 0.430 53.512 53.050 0.053 0.000 0.858 129 N CB -0.055 38.454 38.487 0.037 0.000 0.989 129 N HN 0.075 nan 8.380 nan 0.000 0.426 130 R N 1.009 121.541 120.500 0.053 0.000 2.105 130 R HA -0.084 4.253 4.340 -0.005 0.000 0.239 130 R C 2.098 178.455 176.300 0.095 0.000 1.135 130 R CA 0.938 57.071 56.100 0.056 0.000 0.967 130 R CB -0.532 29.786 30.300 0.030 0.000 0.861 130 R HN 0.376 nan 8.270 nan 0.000 0.442 131 I N 0.593 121.231 120.570 0.113 0.000 2.353 131 I HA -0.261 3.906 4.170 -0.005 0.000 0.248 131 I C 2.814 179.113 176.117 0.304 0.000 1.119 131 I CA 1.096 62.518 61.300 0.204 0.000 1.417 131 I CB -0.255 37.844 38.000 0.165 0.000 1.078 131 I HN 0.236 nan 8.210 nan 0.000 0.421 132 Q N 1.288 121.203 119.800 0.191 0.000 2.020 132 Q HA -0.268 4.069 4.340 -0.005 0.000 0.198 132 Q C 2.155 178.236 176.000 0.135 0.000 0.974 132 Q CA 1.801 57.698 55.803 0.156 0.000 0.829 132 Q CB -0.074 28.725 28.738 0.102 0.000 0.894 132 Q HN 0.428 nan 8.270 nan 0.000 0.433 133 E N -0.100 120.168 120.200 0.113 0.000 2.086 133 E HA -0.260 4.087 4.350 -0.005 0.000 0.200 133 E C 1.982 178.650 176.600 0.113 0.000 1.012 133 E CA 1.496 57.951 56.400 0.091 0.000 0.812 133 E CB -0.193 29.551 29.700 0.074 0.000 0.743 133 E HN 0.403 nan 8.360 nan 0.000 0.453 134 L N 0.539 121.865 121.223 0.172 0.000 2.093 134 L HA -0.004 4.333 4.340 -0.005 0.000 0.208 134 L C 2.214 179.209 176.870 0.209 0.000 1.085 134 L CA 2.074 57.040 54.840 0.211 0.000 0.755 134 L CB -0.701 41.519 42.059 0.269 0.000 0.904 134 L HN 0.185 nan 8.230 nan 0.000 0.435 135 A N -0.944 121.981 122.820 0.176 0.000 1.877 135 A HA -0.235 4.082 4.320 -0.005 0.000 0.216 135 A C 2.386 179.988 177.584 0.029 0.000 1.186 135 A CA 1.921 53.909 52.037 -0.082 0.000 0.620 135 A CB -1.488 17.397 19.000 -0.192 0.000 0.822 135 A HN 0.628 nan 8.150 nan 0.000 0.443 136 C N -1.420 117.899 119.300 0.032 0.000 2.436 136 C HA -0.069 4.388 4.460 -0.005 0.000 0.277 136 C C 3.204 178.201 174.990 0.012 0.000 1.241 136 C CA 1.240 60.260 59.018 0.003 0.000 1.721 136 C CB -1.262 26.485 27.740 0.012 0.000 2.043 136 C HN 0.685 nan 8.230 nan 0.000 0.472 137 S N 0.473 116.199 115.700 0.044 0.000 2.380 137 S HA -0.229 4.238 4.470 -0.005 0.000 0.229 137 S C 1.721 176.353 174.600 0.054 0.000 1.050 137 S CA 2.007 60.236 58.200 0.049 0.000 1.100 137 S CB -0.456 62.786 63.200 0.069 0.000 0.984 137 S HN 0.579 nan 8.310 nan 0.000 0.434 138 L N 0.520 121.802 121.223 0.098 0.000 2.083 138 L HA -0.059 4.278 4.340 -0.005 0.000 0.209 138 L C 2.362 179.280 176.870 0.080 0.000 1.083 138 L CA 1.208 56.129 54.840 0.135 0.000 0.752 138 L CB -0.407 41.806 42.059 0.257 0.000 0.899 138 L HN 0.401 nan 8.230 nan 0.000 0.433 139 I N -0.618 119.949 120.570 -0.004 0.000 2.233 139 I HA -0.234 3.933 4.170 -0.005 0.000 0.243 139 I C 2.581 178.573 176.117 -0.208 0.000 1.093 139 I CA 0.953 62.123 61.300 -0.217 0.000 1.380 139 I CB -0.172 37.629 38.000 -0.332 0.000 1.067 139 I HN 0.230 nan 8.210 nan 0.000 0.413 140 E N 1.248 121.376 120.200 -0.120 0.000 2.110 140 E HA -0.166 4.181 4.350 -0.005 0.000 0.193 140 E C 2.122 178.699 176.600 -0.040 0.000 0.988 140 E CA 1.688 58.035 56.400 -0.088 0.000 0.804 140 E CB -0.127 29.541 29.700 -0.053 0.000 0.745 140 E HN 0.258 nan 8.360 nan 0.000 0.458 141 S N -0.193 115.501 115.700 -0.011 0.000 2.419 141 S HA -0.048 4.419 4.470 -0.005 0.000 0.233 141 S C 1.770 176.389 174.600 0.032 0.000 1.016 141 S CA 0.995 59.204 58.200 0.016 0.000 0.974 141 S CB -0.150 63.069 63.200 0.032 0.000 0.786 141 S HN 0.273 nan 8.310 nan 0.000 0.492 142 L N 0.482 121.723 121.223 0.030 0.000 2.307 142 L HA 0.154 4.491 4.340 -0.005 0.000 0.211 142 L C 2.501 179.487 176.870 0.193 0.000 1.099 142 L CA 0.241 55.143 54.840 0.105 0.000 0.816 142 L CB -0.293 41.836 42.059 0.117 0.000 0.952 142 L HN 0.193 nan 8.230 nan 0.000 0.455 143 R N 1.185 121.712 120.500 0.045 0.000 2.143 143 R HA -0.209 4.128 4.340 -0.005 0.000 0.239 143 R C -0.489 175.980 176.300 0.280 0.000 1.126 143 R CA 2.544 58.695 56.100 0.084 0.000 0.927 143 R CB -1.365 28.888 30.300 -0.078 0.000 0.860 143 R HN 0.208 nan 8.270 nan 0.000 0.433 144 P HA -0.151 nan 4.420 nan 0.000 0.220 144 P C 0.632 177.950 177.300 0.029 0.000 1.148 144 P CA 1.465 64.618 63.100 0.088 0.000 0.803 144 P CB -0.089 31.634 31.700 0.038 0.000 0.782 145 Q N -0.641 119.165 119.800 0.010 0.000 2.226 145 Q HA 0.011 4.348 4.340 -0.005 0.000 0.204 145 Q C 1.624 177.413 176.000 -0.352 0.000 0.975 145 Q CA 1.250 56.983 55.803 -0.117 0.000 0.866 145 Q CB -0.702 27.989 28.738 -0.078 0.000 0.915 145 Q HN 0.326 nan 8.270 nan 0.000 0.440 146 G N 0.790 109.195 108.800 -0.659 0.000 2.155 146 G HA2 -0.324 3.633 3.960 -0.005 0.000 0.257 146 G HA3 -0.324 3.633 3.960 -0.005 0.000 0.257 146 G C -0.165 173.742 174.900 -1.656 0.000 0.983 146 G CA 0.728 44.990 45.100 -1.396 0.000 0.676 146 G HN 0.463 nan 8.290 nan 0.000 0.528 147 Q N -1.955 116.963 119.800 -1.470 0.000 2.721 147 Q HA 0.598 4.935 4.340 -0.005 0.000 0.282 147 Q C -0.423 175.414 176.000 -0.272 0.000 0.932 147 Q CA -0.753 54.582 55.803 -0.780 0.000 0.816 147 Q CB 1.376 29.897 28.738 -0.361 0.000 1.506 147 Q HN 1.558 nan 8.270 nan 0.000 0.399 148 C N -0.305 119.029 119.300 0.056 0.000 3.275 148 C HA 0.616 5.073 4.460 -0.005 0.000 0.340 148 C C -1.621 173.492 174.990 0.206 0.000 1.366 148 C CA -0.775 58.362 59.018 0.199 0.000 1.227 148 C CB 1.468 29.451 27.740 0.406 0.000 1.512 148 C HN 0.908 nan 8.230 nan 0.000 0.461 149 N N 1.323 120.122 118.700 0.165 0.000 2.955 149 N HA 0.240 4.977 4.740 -0.005 0.000 0.242 149 N C 0.423 176.025 175.510 0.154 0.000 1.123 149 N CA -0.269 52.864 53.050 0.138 0.000 0.949 149 N CB 0.613 39.148 38.487 0.080 0.000 1.214 149 N HN 0.748 nan 8.380 nan 0.000 0.504 150 F N 2.560 122.566 119.950 0.094 0.000 2.082 150 F HA -0.366 4.158 4.527 -0.005 0.000 0.298 150 F C 2.608 178.448 175.800 0.067 0.000 1.091 150 F CA 2.326 60.368 58.000 0.070 0.000 1.230 150 F CB -0.322 38.648 39.000 -0.051 0.000 0.983 150 F HN 0.386 nan 8.300 nan 0.000 0.485 151 T N -1.538 113.048 114.554 0.053 0.000 2.684 151 T HA -0.268 4.079 4.350 -0.005 0.000 0.267 151 T C 1.649 176.296 174.700 -0.088 0.000 1.036 151 T CA 1.644 63.728 62.100 -0.027 0.000 1.148 151 T CB -0.858 68.025 68.868 0.025 0.000 0.863 151 T HN 0.675 nan 8.240 nan 0.000 0.436 152 E N 0.849 121.025 120.200 -0.040 0.000 2.250 152 E HA -0.014 4.333 4.350 -0.005 0.000 0.192 152 E C 1.315 177.892 176.600 -0.038 0.000 0.986 152 E CA 0.738 57.119 56.400 -0.031 0.000 0.849 152 E CB -0.068 29.634 29.700 0.003 0.000 0.797 152 E HN 0.460 nan 8.360 nan 0.000 0.482 153 D N -0.614 119.765 120.400 -0.034 0.000 2.333 153 D HA -0.009 4.628 4.640 -0.005 0.000 0.208 153 D C 0.663 176.969 176.300 0.011 0.000 0.984 153 D CA 0.695 54.703 54.000 0.014 0.000 0.873 153 D CB 0.306 41.159 40.800 0.087 0.000 0.935 153 D HN 0.246 nan 8.370 nan 0.000 0.521 154 Y N 0.213 120.299 120.300 -0.356 0.000 3.087 154 Y HA 0.326 4.873 4.550 -0.005 0.000 0.227 154 Y C 2.065 177.746 175.900 -0.365 0.000 1.015 154 Y CA 0.576 58.431 58.100 -0.409 0.000 1.399 154 Y CB -0.246 37.827 38.460 -0.646 0.000 1.483 154 Y HN -0.148 nan 8.280 nan 0.000 0.420 155 A N 0.969 123.434 122.820 -0.591 0.000 1.927 155 A HA -0.246 4.071 4.320 -0.005 0.000 0.220 155 A C 1.847 179.348 177.584 -0.137 0.000 1.185 155 A CA 2.545 54.440 52.037 -0.237 0.000 0.639 155 A CB -0.652 18.287 19.000 -0.101 0.000 0.820 155 A HN 0.693 nan 8.150 nan 0.000 0.451 156 E N -0.989 119.126 120.200 -0.141 0.000 2.042 156 E HA -0.073 4.274 4.350 -0.005 0.000 0.189 156 E C -0.525 176.024 176.600 -0.085 0.000 0.974 156 E CA 0.751 57.101 56.400 -0.084 0.000 0.806 156 E CB -0.607 29.060 29.700 -0.055 0.000 0.769 156 E HN 0.545 nan 8.360 nan 0.000 0.451 157 P HA -0.166 nan 4.420 nan 0.000 0.219 157 P C 1.362 178.626 177.300 -0.061 0.000 1.150 157 P CA 1.025 64.089 63.100 -0.059 0.000 0.814 157 P CB -0.008 31.671 31.700 -0.035 0.000 0.787 158 F N 3.666 123.406 119.950 -0.350 0.000 2.031 158 F HA -0.045 4.479 4.527 -0.005 0.000 0.295 158 F C -0.766 174.927 175.800 -0.178 0.000 1.133 158 F CA 1.522 59.298 58.000 -0.374 0.000 1.188 158 F CB -2.091 36.388 39.000 -0.868 0.000 0.974 158 F HN -0.058 nan 8.300 nan 0.000 0.473 159 P HA -0.144 nan 4.420 nan 0.000 0.216 159 P C 2.249 179.447 177.300 -0.169 0.000 1.153 159 P CA 1.978 64.851 63.100 -0.379 0.000 0.844 159 P CB -0.207 31.389 31.700 -0.174 0.000 0.787 160 I N -0.276 120.242 120.570 -0.087 0.000 2.286 160 I HA -0.203 3.964 4.170 -0.005 0.000 0.248 160 I C 2.845 178.984 176.117 0.037 0.000 1.115 160 I CA 1.401 62.707 61.300 0.009 0.000 1.392 160 I CB -0.527 37.474 38.000 0.001 0.000 1.065 160 I HN -0.123 nan 8.210 nan 0.000 0.418 161 R N 0.422 120.906 120.500 -0.025 0.000 2.092 161 R HA -0.102 4.235 4.340 -0.005 0.000 0.231 161 R C 2.304 178.579 176.300 -0.042 0.000 1.119 161 R CA 1.098 57.187 56.100 -0.018 0.000 0.970 161 R CB -0.139 30.154 30.300 -0.011 0.000 0.864 161 R HN 0.259 nan 8.270 nan 0.000 0.440 162 I N 0.230 120.740 120.570 -0.100 0.000 2.226 162 I HA -0.273 3.893 4.170 -0.005 0.000 0.245 162 I C 2.201 178.280 176.117 -0.063 0.000 1.100 162 I CA 1.360 62.594 61.300 -0.109 0.000 1.374 162 I CB -0.905 36.964 38.000 -0.218 0.000 1.057 162 I HN 0.076 nan 8.210 nan 0.000 0.413 163 F N 1.527 121.412 119.950 -0.108 0.000 2.113 163 F HA -0.211 4.313 4.527 -0.005 0.000 0.297 163 F C 2.551 178.329 175.800 -0.037 0.000 1.103 163 F CA 1.499 59.458 58.000 -0.068 0.000 1.248 163 F CB -0.182 38.777 39.000 -0.068 0.000 0.999 163 F HN -0.094 nan 8.300 nan 0.000 0.475 164 M N 0.081 119.619 119.600 -0.103 0.000 2.267 164 M HA -0.200 4.277 4.480 -0.005 0.000 0.263 164 M C 2.339 178.538 176.300 -0.168 0.000 1.063 164 M CA 1.218 56.449 55.300 -0.114 0.000 1.090 164 M CB -1.459 31.156 32.600 0.025 0.000 1.392 164 M HN 0.363 nan 8.290 nan 0.000 0.422 165 L N -0.196 120.938 121.223 -0.148 0.000 2.049 165 L HA -0.162 4.175 4.340 -0.005 0.000 0.203 165 L C 2.351 179.117 176.870 -0.174 0.000 1.074 165 L CA 1.079 55.848 54.840 -0.119 0.000 0.749 165 L CB -0.388 41.624 42.059 -0.078 0.000 0.907 165 L HN 0.232 nan 8.230 nan 0.000 0.439 166 L N 1.018 122.094 121.223 -0.244 0.000 2.042 166 L HA -0.136 4.201 4.340 -0.005 0.000 0.210 166 L C 2.401 179.084 176.870 -0.311 0.000 1.076 166 L CA 2.207 56.896 54.840 -0.252 0.000 0.749 166 L CB -0.841 41.068 42.059 -0.249 0.000 0.893 166 L HN 0.226 nan 8.230 nan 0.000 0.432 167 A N -0.741 121.766 122.820 -0.523 0.000 2.235 167 A HA 0.319 4.636 4.320 -0.005 0.000 0.208 167 A C 1.606 179.075 177.584 -0.191 0.000 1.172 167 A CA 0.607 52.398 52.037 -0.411 0.000 0.786 167 A CB -1.332 17.284 19.000 -0.639 0.000 0.804 167 A HN 0.967 nan 8.150 nan 0.000 0.479 168 G N -0.727 107.979 108.800 -0.158 0.000 2.323 168 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.292 168 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.292 168 G C -0.201 174.673 174.900 -0.044 0.000 1.040 168 G CA 0.632 45.682 45.100 -0.083 0.000 0.942 168 G HN 0.537 nan 8.290 nan 0.000 0.506 169 L N 0.588 121.792 121.223 -0.032 0.000 2.365 169 L HA 0.539 4.876 4.340 -0.005 0.000 0.273 169 L C -1.733 175.164 176.870 0.046 0.000 1.000 169 L CA -2.549 52.316 54.840 0.042 0.000 0.819 169 L CB 2.386 44.519 42.059 0.123 0.000 1.284 169 L HN -0.033 nan 8.230 nan 0.000 0.418 170 P HA 0.042 nan 4.420 nan 0.000 0.268 170 P C -0.120 177.219 177.300 0.064 0.000 1.204 170 P CA -0.064 63.068 63.100 0.052 0.000 0.768 170 P CB 0.834 32.564 31.700 0.051 0.000 0.842 171 E N 2.285 122.511 120.200 0.043 0.000 2.265 171 E HA -0.206 4.141 4.350 -0.005 0.000 0.196 171 E C 1.508 178.136 176.600 0.047 0.000 0.996 171 E CA 1.136 57.561 56.400 0.042 0.000 0.832 171 E CB -0.013 29.704 29.700 0.029 0.000 0.756 171 E HN 0.693 nan 8.360 nan 0.000 0.491 172 E N 1.221 121.450 120.200 0.048 0.000 2.338 172 E HA -0.173 4.174 4.350 -0.005 0.000 0.197 172 E C 0.811 177.448 176.600 0.062 0.000 1.007 172 E CA 0.881 57.309 56.400 0.047 0.000 0.849 172 E CB -0.008 29.715 29.700 0.039 0.000 0.774 172 E HN 0.122 nan 8.360 nan 0.000 0.506 173 D N 1.075 121.526 120.400 0.085 0.000 2.347 173 D HA 0.037 4.674 4.640 -0.005 0.000 0.215 173 D C 1.853 178.189 176.300 0.060 0.000 0.976 173 D CA 0.271 54.332 54.000 0.101 0.000 0.884 173 D CB -0.041 40.867 40.800 0.180 0.000 0.915 173 D HN 0.306 nan 8.370 nan 0.000 0.526 174 I N 1.476 122.077 120.570 0.052 0.000 2.118 174 I HA -0.255 3.912 4.170 -0.005 0.000 0.241 174 I C -0.548 175.592 176.117 0.038 0.000 1.070 174 I CA 1.416 62.737 61.300 0.035 0.000 1.327 174 I CB -1.432 36.589 38.000 0.034 0.000 1.034 174 I HN 0.019 nan 8.210 nan 0.000 0.405 175 P HA -0.226 nan 4.420 nan 0.000 0.216 175 P C 1.497 178.860 177.300 0.106 0.000 1.153 175 P CA 1.744 64.885 63.100 0.068 0.000 0.858 175 P CB -0.070 31.665 31.700 0.059 0.000 0.789 176 H N -0.684 118.391 119.070 0.007 0.000 2.299 176 H HA -0.009 4.544 4.556 -0.005 0.000 0.302 176 H C 1.847 177.182 175.328 0.012 0.000 1.078 176 H CA 1.410 57.468 56.048 0.017 0.000 1.323 176 H CB -0.937 28.814 29.762 -0.018 0.000 1.381 176 H HN -0.068 nan 8.280 nan 0.000 0.498 177 L N -0.000 121.159 121.223 -0.106 0.000 2.046 177 L HA -0.149 4.188 4.340 -0.005 0.000 0.208 177 L C 2.479 179.254 176.870 -0.158 0.000 1.077 177 L CA 1.619 56.324 54.840 -0.226 0.000 0.747 177 L CB -0.419 41.496 42.059 -0.240 0.000 0.896 177 L HN 0.231 nan 8.230 nan 0.000 0.432 178 K N 0.023 120.379 120.400 -0.074 0.000 2.148 178 K HA -0.237 4.080 4.320 -0.005 0.000 0.204 178 K C 2.077 178.648 176.600 -0.049 0.000 1.050 178 K CA 1.428 57.684 56.287 -0.053 0.000 0.942 178 K CB -0.523 31.971 32.500 -0.010 0.000 0.724 178 K HN 0.279 nan 8.250 nan 0.000 0.446 179 Y N 0.522 120.750 120.300 -0.120 0.000 2.200 179 Y HA -0.068 4.479 4.550 -0.005 0.000 0.290 179 Y C 1.523 177.340 175.900 -0.138 0.000 1.137 179 Y CA 1.585 59.620 58.100 -0.108 0.000 1.163 179 Y CB -0.131 38.267 38.460 -0.104 0.000 0.988 179 Y HN -0.005 nan 8.280 nan 0.000 0.518 180 L N -0.682 120.338 121.223 -0.338 0.000 1.994 180 L HA -0.255 4.082 4.340 -0.005 0.000 0.208 180 L C 2.474 179.160 176.870 -0.307 0.000 1.071 180 L CA 1.945 56.557 54.840 -0.380 0.000 0.745 180 L CB -1.146 40.728 42.059 -0.308 0.000 0.892 180 L HN 0.199 nan 8.230 nan 0.000 0.431 181 T N -0.441 113.981 114.554 -0.220 0.000 2.624 181 T HA -0.232 4.115 4.350 -0.005 0.000 0.268 181 T C 1.433 176.088 174.700 -0.075 0.000 1.041 181 T CA 1.962 63.981 62.100 -0.134 0.000 1.159 181 T CB -0.297 68.496 68.868 -0.125 0.000 0.863 181 T HN 0.348 nan 8.240 nan 0.000 0.434 182 D N 0.747 121.075 120.400 -0.120 0.000 2.218 182 D HA -0.063 4.574 4.640 -0.005 0.000 0.204 182 D C 2.324 178.573 176.300 -0.085 0.000 0.976 182 D CA 0.699 54.655 54.000 -0.074 0.000 0.853 182 D CB -0.275 40.470 40.800 -0.092 0.000 0.939 182 D HN 0.303 nan 8.370 nan 0.000 0.481 183 Q N -0.543 119.126 119.800 -0.219 0.000 2.369 183 Q HA 0.075 4.412 4.340 -0.005 0.000 0.206 183 Q C 2.005 178.021 176.000 0.027 0.000 0.963 183 Q CA 0.471 56.166 55.803 -0.179 0.000 0.894 183 Q CB -0.095 28.442 28.738 -0.335 0.000 0.965 183 Q HN 0.440 nan 8.270 nan 0.000 0.475 184 M N -0.641 119.031 119.600 0.119 0.000 2.435 184 M HA -0.047 4.430 4.480 -0.005 0.000 0.265 184 M C 1.839 178.508 176.300 0.615 0.000 1.104 184 M CA 1.462 57.035 55.300 0.455 0.000 1.140 184 M CB 0.171 33.014 32.600 0.407 0.000 1.372 184 M HN 0.209 nan 8.290 nan 0.000 0.456 185 T N -1.822 112.952 114.554 0.367 0.000 3.021 185 T HA 0.143 4.490 4.350 -0.005 0.000 0.245 185 T C 1.070 175.940 174.700 0.283 0.000 1.028 185 T CA 0.090 62.377 62.100 0.311 0.000 1.139 185 T CB 0.064 69.061 68.868 0.215 0.000 0.884 185 T HN 0.249 nan 8.240 nan 0.000 0.457 186 R N 2.212 122.834 120.500 0.202 0.000 2.653 186 R HA 0.314 4.651 4.340 -0.005 0.000 0.269 186 R C -2.980 173.361 176.300 0.068 0.000 1.603 186 R CA -1.697 54.516 56.100 0.188 0.000 1.671 186 R CB 1.120 31.515 30.300 0.159 0.000 1.300 186 R HN 0.347 nan 8.270 nan 0.000 0.668 187 P HA -0.077 nan 4.420 nan 0.000 0.260 187 P C -0.274 176.995 177.300 -0.052 0.000 1.185 187 P CA 0.388 63.451 63.100 -0.062 0.000 0.763 187 P CB 0.761 32.394 31.700 -0.112 0.000 0.776 188 D N 2.251 122.637 120.400 -0.023 0.000 2.349 188 D HA 0.052 4.689 4.640 -0.005 0.000 0.224 188 D C 1.462 177.763 176.300 0.003 0.000 1.029 188 D CA 0.592 54.596 54.000 0.007 0.000 0.879 188 D CB -0.399 40.426 40.800 0.042 0.000 0.906 188 D HN 0.587 nan 8.370 nan 0.000 0.528 189 G N 0.017 108.808 108.800 -0.014 0.000 2.213 189 G HA2 -0.344 3.613 3.960 -0.005 0.000 0.236 189 G HA3 -0.344 3.613 3.960 -0.005 0.000 0.236 189 G C 1.165 176.076 174.900 0.019 0.000 0.991 189 G CA 0.589 45.683 45.100 -0.009 0.000 0.629 189 G HN 0.712 nan 8.290 nan 0.000 0.517 190 S N -0.916 114.813 115.700 0.048 0.000 2.607 190 S HA 0.558 5.025 4.470 -0.005 0.000 0.224 190 S C 0.698 175.346 174.600 0.080 0.000 0.969 190 S CA 1.342 59.589 58.200 0.078 0.000 0.927 190 S CB 0.164 63.446 63.200 0.137 0.000 0.772 190 S HN 1.233 nan 8.310 nan 0.000 0.533 191 M N 1.782 121.410 119.600 0.045 0.000 2.373 191 M HA 0.304 4.781 4.480 -0.005 0.000 0.290 191 M C -0.909 175.395 176.300 0.007 0.000 1.143 191 M CA -0.288 55.030 55.300 0.030 0.000 0.949 191 M CB 1.984 34.608 32.600 0.039 0.000 1.756 191 M HN 0.246 nan 8.290 nan 0.000 0.494 192 T N 0.611 115.175 114.554 0.016 0.000 2.849 192 T HA 0.292 4.639 4.350 -0.005 0.000 0.284 192 T C 0.721 175.453 174.700 0.054 0.000 1.004 192 T CA -0.454 61.675 62.100 0.048 0.000 1.021 192 T CB 0.669 69.573 68.868 0.061 0.000 1.013 192 T HN 0.617 nan 8.240 nan 0.000 0.527 193 F N 1.714 121.670 119.950 0.010 0.000 2.091 193 F HA -0.061 4.463 4.527 -0.005 0.000 0.299 193 F C 2.569 178.340 175.800 -0.048 0.000 1.103 193 F CA 2.043 60.055 58.000 0.021 0.000 1.228 193 F CB -1.006 38.053 39.000 0.098 0.000 0.984 193 F HN 0.767 nan 8.300 nan 0.000 0.477 194 A N -0.049 122.793 122.820 0.038 0.000 1.883 194 A HA -0.236 4.081 4.320 -0.005 0.000 0.217 194 A C 2.088 179.571 177.584 -0.167 0.000 1.186 194 A CA 2.022 54.015 52.037 -0.073 0.000 0.624 194 A CB -0.934 18.085 19.000 0.032 0.000 0.822 194 A HN 0.575 nan 8.150 nan 0.000 0.444 195 E N -0.277 119.862 120.200 -0.103 0.000 2.072 195 E HA -0.048 4.299 4.350 -0.005 0.000 0.191 195 E C 2.307 178.820 176.600 -0.145 0.000 0.985 195 E CA 0.961 57.310 56.400 -0.086 0.000 0.801 195 E CB -0.315 29.369 29.700 -0.027 0.000 0.750 195 E HN 0.612 nan 8.360 nan 0.000 0.452 196 A N 1.616 124.310 122.820 -0.211 0.000 1.933 196 A HA -0.244 4.073 4.320 -0.005 0.000 0.218 196 A C 2.078 179.442 177.584 -0.367 0.000 1.175 196 A CA 1.631 53.510 52.037 -0.265 0.000 0.628 196 A CB -0.358 18.463 19.000 -0.297 0.000 0.814 196 A HN 0.062 nan 8.150 nan 0.000 0.444 197 K N -0.732 119.328 120.400 -0.567 0.000 2.062 197 K HA -0.167 4.150 4.320 -0.005 0.000 0.205 197 K C 2.017 178.258 176.600 -0.598 0.000 1.051 197 K CA 1.505 57.353 56.287 -0.731 0.000 0.941 197 K CB -0.104 31.772 32.500 -1.041 0.000 0.719 197 K HN 0.340 nan 8.250 nan 0.000 0.440 198 E N 0.583 120.572 120.200 -0.352 0.000 2.110 198 E HA -0.124 4.223 4.350 -0.005 0.000 0.193 198 E C 1.572 178.149 176.600 -0.038 0.000 0.988 198 E CA 1.496 57.811 56.400 -0.141 0.000 0.804 198 E CB -0.174 29.491 29.700 -0.059 0.000 0.745 198 E HN 0.403 nan 8.360 nan 0.000 0.458 199 A N -0.066 122.725 122.820 -0.048 0.000 1.969 199 A HA -0.089 4.228 4.320 -0.005 0.000 0.218 199 A C 2.113 179.757 177.584 0.101 0.000 1.169 199 A CA 1.209 53.282 52.037 0.060 0.000 0.635 199 A CB -0.516 18.529 19.000 0.074 0.000 0.810 199 A HN 0.352 nan 8.150 nan 0.000 0.445 200 L N -1.851 119.359 121.223 -0.021 0.000 2.156 200 L HA -0.033 4.304 4.340 -0.005 0.000 0.208 200 L C 2.117 179.137 176.870 0.250 0.000 1.095 200 L CA 1.616 56.487 54.840 0.052 0.000 0.770 200 L CB -0.581 41.431 42.059 -0.079 0.000 0.914 200 L HN 0.423 nan 8.230 nan 0.000 0.439 201 Y N -0.436 119.901 120.300 0.062 0.000 2.314 201 Y HA -0.162 4.385 4.550 -0.005 0.000 0.293 201 Y C 2.454 178.397 175.900 0.073 0.000 1.129 201 Y CA 1.062 59.195 58.100 0.054 0.000 1.201 201 Y CB -0.879 37.574 38.460 -0.012 0.000 0.999 201 Y HN 0.388 nan 8.280 nan 0.000 0.541 202 D N -1.176 119.370 120.400 0.243 0.000 2.144 202 D HA -0.228 4.409 4.640 -0.005 0.000 0.200 202 D C 2.152 178.560 176.300 0.179 0.000 0.978 202 D CA 0.922 55.023 54.000 0.167 0.000 0.833 202 D CB -0.322 40.562 40.800 0.140 0.000 0.961 202 D HN 0.284 nan 8.370 nan 0.000 0.470 203 Y N 0.249 120.621 120.300 0.119 0.000 2.097 203 Y HA -0.166 4.381 4.550 -0.005 0.000 0.282 203 Y C 1.820 177.774 175.900 0.090 0.000 1.152 203 Y CA 1.310 59.475 58.100 0.109 0.000 1.136 203 Y CB -0.405 38.146 38.460 0.152 0.000 0.975 203 Y HN -0.004 nan 8.280 nan 0.000 0.498 204 L N 0.467 121.799 121.223 0.180 0.000 2.005 204 L HA -0.211 4.126 4.340 -0.005 0.000 0.207 204 L C 2.521 179.372 176.870 -0.032 0.000 1.072 204 L CA 1.589 56.462 54.840 0.055 0.000 0.744 204 L CB -1.491 40.691 42.059 0.205 0.000 0.895 204 L HN 0.395 nan 8.230 nan 0.000 0.433 205 I N 0.125 120.699 120.570 0.006 0.000 2.130 205 I HA -0.382 3.785 4.170 -0.005 0.000 0.241 205 I C -0.392 175.696 176.117 -0.048 0.000 1.023 205 I CA 2.117 63.403 61.300 -0.024 0.000 1.293 205 I CB -1.566 36.429 38.000 -0.008 0.000 1.001 205 I HN 0.270 nan 8.210 nan 0.000 0.407 206 P HA -0.039 nan 4.420 nan 0.000 0.229 206 P C 1.656 178.900 177.300 -0.092 0.000 1.160 206 P CA 1.252 64.308 63.100 -0.074 0.000 0.777 206 P CB 0.006 31.659 31.700 -0.079 0.000 0.814 207 I N -1.329 119.163 120.570 -0.130 0.000 2.406 207 I HA -0.126 4.041 4.170 -0.005 0.000 0.249 207 I C 2.206 178.281 176.117 -0.070 0.000 1.122 207 I CA 1.039 62.264 61.300 -0.125 0.000 1.431 207 I CB -0.333 37.551 38.000 -0.194 0.000 1.087 207 I HN -0.151 nan 8.210 nan 0.000 0.424 208 I N 0.855 121.393 120.570 -0.052 0.000 2.315 208 I HA -0.260 3.907 4.170 -0.005 0.000 0.248 208 I C 2.603 178.702 176.117 -0.030 0.000 1.117 208 I CA 1.345 62.627 61.300 -0.030 0.000 1.404 208 I CB -0.148 37.840 38.000 -0.021 0.000 1.071 208 I HN 0.259 nan 8.210 nan 0.000 0.419 209 E N 0.895 121.074 120.200 -0.036 0.000 2.106 209 E HA -0.269 4.078 4.350 -0.005 0.000 0.192 209 E C 2.085 178.667 176.600 -0.031 0.000 0.984 209 E CA 1.365 57.746 56.400 -0.031 0.000 0.806 209 E CB -0.050 29.631 29.700 -0.032 0.000 0.750 209 E HN 0.263 nan 8.360 nan 0.000 0.458 210 Q N 0.308 120.085 119.800 -0.038 0.000 2.124 210 Q HA 0.007 4.344 4.340 -0.005 0.000 0.202 210 Q C 1.936 177.918 176.000 -0.031 0.000 0.977 210 Q CA 1.712 57.493 55.803 -0.037 0.000 0.850 210 Q CB -0.023 28.687 28.738 -0.047 0.000 0.901 210 Q HN 0.255 nan 8.270 nan 0.000 0.429 211 R N -0.985 119.497 120.500 -0.031 0.000 2.297 211 R HA 0.150 4.487 4.340 -0.005 0.000 0.197 211 R C 1.822 178.110 176.300 -0.019 0.000 0.943 211 R CA 0.311 56.396 56.100 -0.025 0.000 1.038 211 R CB 0.206 30.492 30.300 -0.024 0.000 0.957 211 R HN 0.040 nan 8.270 nan 0.000 0.484 212 R N -0.159 120.330 120.500 -0.018 0.000 2.173 212 R HA 0.048 4.385 4.340 -0.005 0.000 0.208 212 R C 1.784 178.076 176.300 -0.015 0.000 1.035 212 R CA 0.762 56.853 56.100 -0.015 0.000 1.004 212 R CB 0.256 30.547 30.300 -0.014 0.000 0.917 212 R HN 0.207 nan 8.270 nan 0.000 0.462 213 Q N -0.171 119.618 119.800 -0.017 0.000 2.269 213 Q HA 0.001 4.338 4.340 -0.005 0.000 0.201 213 Q C 0.215 176.205 176.000 -0.015 0.000 0.946 213 Q CA 0.874 56.667 55.803 -0.016 0.000 0.877 213 Q CB 0.502 29.229 28.738 -0.018 0.000 0.963 213 Q HN -0.080 nan 8.270 nan 0.000 0.472 214 K N 0.793 121.183 120.400 -0.017 0.000 2.896 214 K HA 0.247 4.564 4.320 -0.005 0.000 0.228 214 K C -2.847 173.743 176.600 -0.017 0.000 1.151 214 K CA -1.560 54.717 56.287 -0.016 0.000 1.035 214 K CB 1.320 33.810 32.500 -0.017 0.000 1.263 214 K HN -0.193 nan 8.250 nan 0.000 0.574 215 P HA -0.008 nan 4.420 nan 0.000 0.260 215 P C -0.133 177.158 177.300 -0.016 0.000 1.185 215 P CA 0.265 63.356 63.100 -0.015 0.000 0.763 215 P CB 1.079 32.771 31.700 -0.013 0.000 0.776 216 G N 1.663 110.452 108.800 -0.018 0.000 2.828 216 G HA2 0.535 4.492 3.960 -0.005 0.000 0.244 216 G HA3 0.535 4.492 3.960 -0.005 0.000 0.244 216 G C -0.238 174.650 174.900 -0.020 0.000 1.365 216 G CA -0.435 44.654 45.100 -0.020 0.000 1.041 216 G HN 0.395 nan 8.290 nan 0.000 0.560 217 T N -1.582 112.958 114.554 -0.023 0.000 3.448 217 T HA 0.406 4.753 4.350 -0.005 0.000 0.271 217 T C -0.553 174.128 174.700 -0.032 0.000 1.002 217 T CA -0.310 61.776 62.100 -0.024 0.000 0.995 217 T CB -0.375 68.480 68.868 -0.021 0.000 1.153 217 T HN 0.579 nan 8.240 nan 0.000 0.510 218 D N 0.171 120.548 120.400 -0.038 0.000 2.385 218 D HA 0.682 5.319 4.640 -0.005 0.000 0.254 218 D C 1.600 177.869 176.300 -0.052 0.000 1.053 218 D CA -0.798 53.168 54.000 -0.057 0.000 0.992 218 D CB 1.059 41.820 40.800 -0.065 0.000 1.145 218 D HN 0.009 nan 8.370 nan 0.000 0.523 219 A N 0.492 123.268 122.820 -0.074 0.000 1.978 219 A HA -0.156 4.161 4.320 -0.005 0.000 0.220 219 A C 2.008 179.581 177.584 -0.019 0.000 1.170 219 A CA 1.117 53.126 52.037 -0.047 0.000 0.636 219 A CB -1.026 17.933 19.000 -0.068 0.000 0.810 219 A HN 0.680 nan 8.150 nan 0.000 0.448 220 I N -0.471 120.082 120.570 -0.028 0.000 2.202 220 I HA -0.205 3.962 4.170 -0.005 0.000 0.242 220 I C 2.669 178.786 176.117 -0.000 0.000 1.091 220 I CA 1.481 62.781 61.300 0.001 0.000 1.368 220 I CB -0.468 37.534 38.000 0.003 0.000 1.058 220 I HN 0.253 nan 8.210 nan 0.000 0.410 221 S N 1.148 116.841 115.700 -0.013 0.000 2.359 221 S HA -0.135 4.332 4.470 -0.005 0.000 0.224 221 S C 2.003 176.600 174.600 -0.005 0.000 1.035 221 S CA 1.139 59.332 58.200 -0.011 0.000 1.018 221 S CB -0.258 62.932 63.200 -0.017 0.000 0.876 221 S HN 0.267 nan 8.310 nan 0.000 0.448 222 I N 1.447 122.013 120.570 -0.006 0.000 2.264 222 I HA -0.107 4.060 4.170 -0.005 0.000 0.248 222 I C 2.240 178.363 176.117 0.010 0.000 1.111 222 I CA 1.016 62.316 61.300 -0.001 0.000 1.382 222 I CB -1.639 36.360 38.000 -0.002 0.000 1.060 222 I HN 0.166 nan 8.210 nan 0.000 0.418 223 V N 1.191 121.116 119.914 0.019 0.000 2.302 223 V HA -0.123 3.994 4.120 -0.005 0.000 0.243 223 V C 2.782 178.895 176.094 0.032 0.000 1.036 223 V CA 1.588 63.909 62.300 0.036 0.000 1.020 223 V CB -1.054 30.801 31.823 0.052 0.000 0.657 223 V HN 0.435 nan 8.190 nan 0.000 0.453 224 A N 0.168 123.000 122.820 0.021 0.000 2.019 224 A HA -0.228 4.089 4.320 -0.005 0.000 0.219 224 A C 1.844 179.433 177.584 0.009 0.000 1.164 224 A CA 2.235 54.281 52.037 0.014 0.000 0.644 224 A CB -0.715 18.287 19.000 0.003 0.000 0.805 224 A HN 0.713 nan 8.150 nan 0.000 0.449 225 N N -1.052 117.651 118.700 0.005 0.000 2.236 225 N HA 0.234 4.971 4.740 -0.005 0.000 0.196 225 N C 0.970 176.479 175.510 -0.001 0.000 1.114 225 N CA 0.199 53.248 53.050 -0.001 0.000 0.859 225 N CB 0.373 38.857 38.487 -0.005 0.000 0.982 225 N HN 0.440 nan 8.380 nan 0.000 0.493 226 G N 0.000 108.803 108.800 0.004 0.000 2.553 226 G HA2 0.294 4.251 3.960 -0.005 0.000 0.278 226 G HA3 0.294 4.251 3.960 -0.005 0.000 0.278 226 G C -0.456 174.437 174.900 -0.011 0.000 1.349 226 G CA -0.293 44.806 45.100 -0.002 0.000 1.037 226 G HN 0.065 nan 8.290 nan 0.000 0.508 227 Q N -1.473 118.311 119.800 -0.027 0.000 2.413 227 Q HA 0.514 4.851 4.340 -0.005 0.000 0.276 227 Q C -1.074 174.870 176.000 -0.093 0.000 1.099 227 Q CA -1.000 54.772 55.803 -0.051 0.000 0.814 227 Q CB 2.678 31.387 28.738 -0.049 0.000 1.379 227 Q HN 0.517 nan 8.270 nan 0.000 0.436 228 V N -0.654 119.170 119.914 -0.150 0.000 2.378 228 V HA 0.419 4.536 4.120 -0.005 0.000 0.288 228 V C -0.161 175.803 176.094 -0.216 0.000 1.016 228 V CA -0.901 61.239 62.300 -0.268 0.000 0.840 228 V CB 1.050 32.531 31.823 -0.570 0.000 0.994 228 V HN 0.852 nan 8.190 nan 0.000 0.431 229 N N 3.540 122.135 118.700 -0.174 0.000 2.716 229 N HA -0.189 4.548 4.740 -0.005 0.000 0.250 229 N C 1.309 176.763 175.510 -0.094 0.000 1.033 229 N CA 2.233 55.208 53.050 -0.124 0.000 0.727 229 N CB -1.125 37.282 38.487 -0.134 0.000 0.950 229 N HN 1.922 nan 8.380 nan 0.000 0.541 230 G N -1.922 106.828 108.800 -0.083 0.000 2.284 230 G HA2 -0.358 3.599 3.960 -0.005 0.000 0.230 230 G HA3 -0.358 3.599 3.960 -0.005 0.000 0.230 230 G C 0.081 174.947 174.900 -0.057 0.000 1.021 230 G CA 0.441 45.505 45.100 -0.060 0.000 0.619 230 G HN 0.813 nan 8.290 nan 0.000 0.510 231 R N 0.984 121.442 120.500 -0.070 0.000 2.536 231 R HA 0.711 5.048 4.340 -0.005 0.000 0.279 231 R C -3.016 173.254 176.300 -0.050 0.000 1.001 231 R CA -2.344 53.723 56.100 -0.054 0.000 1.027 231 R CB -0.028 30.243 30.300 -0.049 0.000 1.096 231 R HN 0.158 nan 8.270 nan 0.000 0.502 232 P HA 0.042 nan 4.420 nan 0.000 0.268 232 P C -0.348 176.950 177.300 -0.005 0.000 1.204 232 P CA -0.167 62.923 63.100 -0.017 0.000 0.768 232 P CB 0.500 32.193 31.700 -0.011 0.000 0.842 233 I N 2.459 123.035 120.570 0.008 0.000 2.696 233 I HA 0.086 4.253 4.170 -0.005 0.000 0.284 233 I C 1.002 177.144 176.117 0.042 0.000 1.129 233 I CA 0.031 61.360 61.300 0.048 0.000 1.410 233 I CB 0.888 38.931 38.000 0.072 0.000 1.399 233 I HN 0.420 nan 8.210 nan 0.000 0.579 234 T N 2.225 116.814 114.554 0.059 0.000 2.788 234 T HA 0.163 4.510 4.350 -0.005 0.000 0.280 234 T C 1.004 175.712 174.700 0.013 0.000 0.984 234 T CA -0.406 61.711 62.100 0.029 0.000 0.972 234 T CB 1.499 70.384 68.868 0.028 0.000 1.039 234 T HN 0.637 nan 8.240 nan 0.000 0.530 235 S N 0.059 115.753 115.700 -0.009 0.000 2.345 235 S HA -0.080 4.387 4.470 -0.005 0.000 0.220 235 S C 1.721 176.289 174.600 -0.054 0.000 1.031 235 S CA 1.389 59.572 58.200 -0.027 0.000 0.996 235 S CB -0.719 62.461 63.200 -0.033 0.000 0.882 235 S HN 0.937 nan 8.310 nan 0.000 0.445 236 D N 0.838 121.197 120.400 -0.068 0.000 2.149 236 D HA -0.116 4.521 4.640 -0.005 0.000 0.198 236 D C 1.946 178.171 176.300 -0.124 0.000 0.990 236 D CA 1.192 55.119 54.000 -0.122 0.000 0.839 236 D CB -0.040 40.697 40.800 -0.105 0.000 0.948 236 D HN 0.432 nan 8.370 nan 0.000 0.460 237 E N -0.502 119.668 120.200 -0.049 0.000 2.106 237 E HA -0.102 4.245 4.350 -0.005 0.000 0.192 237 E C 2.047 178.640 176.600 -0.011 0.000 0.984 237 E CA 0.870 57.254 56.400 -0.026 0.000 0.806 237 E CB -0.086 29.686 29.700 0.120 0.000 0.750 237 E HN 0.325 nan 8.360 nan 0.000 0.458 238 A N 1.480 124.304 122.820 0.006 0.000 1.930 238 A HA -0.215 4.102 4.320 -0.005 0.000 0.217 238 A C 2.032 179.611 177.584 -0.007 0.000 1.175 238 A CA 1.393 53.442 52.037 0.020 0.000 0.627 238 A CB -0.312 18.699 19.000 0.018 0.000 0.815 238 A HN 0.053 nan 8.150 nan 0.000 0.443 239 K N -0.206 120.145 120.400 -0.082 0.000 2.026 239 K HA -0.160 4.157 4.320 -0.005 0.000 0.208 239 K C 2.212 178.737 176.600 -0.124 0.000 1.048 239 K CA 1.498 57.698 56.287 -0.146 0.000 0.929 239 K CB -0.199 32.099 32.500 -0.337 0.000 0.713 239 K HN 0.432 nan 8.250 nan 0.000 0.439 240 R N 0.086 120.471 120.500 -0.192 0.000 2.120 240 R HA -0.104 4.233 4.340 -0.005 0.000 0.234 240 R C 2.363 178.776 176.300 0.189 0.000 1.123 240 R CA 1.701 57.807 56.100 0.009 0.000 0.975 240 R CB -0.201 30.036 30.300 -0.105 0.000 0.866 240 R HN 0.338 nan 8.270 nan 0.000 0.446 241 M N -0.374 119.276 119.600 0.083 0.000 2.160 241 M HA -0.109 4.368 4.480 -0.005 0.000 0.264 241 M C 1.910 178.271 176.300 0.101 0.000 1.073 241 M CA 1.494 56.849 55.300 0.092 0.000 1.142 241 M CB 0.074 32.727 32.600 0.088 0.000 1.358 241 M HN 0.179 nan 8.290 nan 0.000 0.422 242 C N 0.680 120.048 119.300 0.113 0.000 2.422 242 C HA -0.029 4.428 4.460 -0.005 0.000 0.279 242 C C 2.735 177.806 174.990 0.134 0.000 1.305 242 C CA 0.946 60.043 59.018 0.132 0.000 1.757 242 C CB -1.941 25.879 27.740 0.134 0.000 1.962 242 C HN 0.823 nan 8.230 nan 0.000 0.499 243 G N 0.252 109.178 108.800 0.209 0.000 2.418 243 G HA2 -0.180 3.777 3.960 -0.005 0.000 0.217 243 G HA3 -0.180 3.777 3.960 -0.005 0.000 0.217 243 G C 1.506 176.185 174.900 -0.369 0.000 1.158 243 G CA 0.788 45.989 45.100 0.169 0.000 0.771 243 G HN 0.450 nan 8.290 nan 0.000 0.545 244 L N 0.529 121.491 121.223 -0.434 0.000 2.017 244 L HA 0.093 4.430 4.340 -0.005 0.000 0.208 244 L C 2.749 179.423 176.870 -0.327 0.000 1.073 244 L CA 1.332 55.779 54.840 -0.655 0.000 0.745 244 L CB -0.465 41.426 42.059 -0.280 0.000 0.894 244 L HN 0.194 nan 8.230 nan 0.000 0.432 245 L N -1.462 119.691 121.223 -0.118 0.000 2.042 245 L HA -0.246 4.091 4.340 -0.005 0.000 0.210 245 L C 2.478 179.230 176.870 -0.196 0.000 1.076 245 L CA 0.759 55.585 54.840 -0.023 0.000 0.749 245 L CB -0.639 41.522 42.059 0.170 0.000 0.893 245 L HN 0.320 nan 8.230 nan 0.000 0.432 246 L N -0.442 120.697 121.223 -0.140 0.000 2.083 246 L HA -0.209 4.128 4.340 -0.005 0.000 0.209 246 L C 2.495 179.083 176.870 -0.471 0.000 1.083 246 L CA 1.598 56.257 54.840 -0.302 0.000 0.752 246 L CB -0.871 41.179 42.059 -0.016 0.000 0.899 246 L HN 0.283 nan 8.230 nan 0.000 0.433 247 L N 0.222 121.210 121.223 -0.391 0.000 2.027 247 L HA -0.044 4.293 4.340 -0.005 0.000 0.206 247 L C 2.312 179.018 176.870 -0.274 0.000 1.074 247 L CA 2.144 56.783 54.840 -0.335 0.000 0.745 247 L CB -1.275 40.508 42.059 -0.460 0.000 0.898 247 L HN 0.202 nan 8.230 nan 0.000 0.433 248 G N -1.548 107.082 108.800 -0.284 0.000 2.509 248 G HA2 -0.075 3.882 3.960 -0.005 0.000 0.218 248 G HA3 -0.075 3.882 3.960 -0.005 0.000 0.218 248 G C 1.355 176.081 174.900 -0.290 0.000 1.124 248 G CA 0.483 45.463 45.100 -0.200 0.000 0.776 248 G HN 0.603 nan 8.290 nan 0.000 0.547 249 G N -0.024 108.413 108.800 -0.605 0.000 2.719 249 G HA2 0.187 4.144 3.960 -0.005 0.000 0.211 249 G HA3 0.187 4.144 3.960 -0.005 0.000 0.211 249 G C 1.307 175.931 174.900 -0.460 0.000 1.140 249 G CA 0.108 44.755 45.100 -0.755 0.000 0.790 249 G HN 0.290 nan 8.290 nan 0.000 0.529 250 L N -0.081 120.908 121.223 -0.390 0.000 2.590 250 L HA 0.380 4.717 4.340 -0.005 0.000 0.227 250 L C 0.776 177.582 176.870 -0.106 0.000 1.099 250 L CA 0.721 55.441 54.840 -0.200 0.000 0.872 250 L CB 0.773 42.724 42.059 -0.181 0.000 1.088 250 L HN 0.046 nan 8.230 nan 0.000 0.479 251 D N -2.206 118.141 120.400 -0.089 0.000 2.673 251 D HA 0.099 4.736 4.640 -0.005 0.000 0.278 251 D C 1.230 177.545 176.300 0.024 0.000 1.393 251 D CA 0.831 54.821 54.000 -0.018 0.000 0.805 251 D CB 0.540 41.341 40.800 0.002 0.000 1.110 251 D HN 0.235 nan 8.370 nan 0.000 0.476 252 T N -3.919 110.648 114.554 0.023 0.000 3.397 252 T HA 0.070 4.417 4.350 -0.005 0.000 0.233 252 T C 1.881 176.659 174.700 0.131 0.000 0.969 252 T CA 0.528 62.667 62.100 0.066 0.000 1.316 252 T CB -0.532 68.362 68.868 0.042 0.000 1.175 252 T HN -0.147 nan 8.240 nan 0.000 0.381 253 V N 2.139 122.125 119.914 0.120 0.000 2.407 253 V HA -0.132 3.985 4.120 -0.005 0.000 0.248 253 V C 2.875 179.092 176.094 0.206 0.000 1.055 253 V CA 1.347 63.767 62.300 0.200 0.000 1.049 253 V CB -0.984 30.920 31.823 0.135 0.000 0.662 253 V HN 0.364 nan 8.190 nan 0.000 0.455 254 V N 1.092 121.070 119.914 0.106 0.000 2.231 254 V HA -0.324 3.793 4.120 -0.005 0.000 0.248 254 V C 2.363 178.514 176.094 0.095 0.000 1.054 254 V CA 2.614 64.958 62.300 0.073 0.000 1.015 254 V CB -0.758 31.075 31.823 0.016 0.000 0.638 254 V HN 0.655 nan 8.190 nan 0.000 0.444 255 N N -0.786 117.974 118.700 0.100 0.000 2.188 255 N HA -0.180 4.557 4.740 -0.005 0.000 0.184 255 N C 1.844 177.432 175.510 0.131 0.000 1.018 255 N CA 1.759 54.844 53.050 0.058 0.000 0.858 255 N CB -0.411 38.149 38.487 0.121 0.000 0.989 255 N HN 0.564 nan 8.380 nan 0.000 0.426 256 F N 2.284 122.334 119.950 0.167 0.000 2.134 256 F HA -0.055 4.469 4.527 -0.005 0.000 0.299 256 F C 2.252 178.152 175.800 0.166 0.000 1.097 256 F CA 0.862 59.006 58.000 0.240 0.000 1.264 256 F CB -0.193 38.895 39.000 0.146 0.000 1.001 256 F HN -0.103 nan 8.300 nan 0.000 0.479 257 L N -0.564 120.728 121.223 0.113 0.000 2.043 257 L HA -0.300 4.037 4.340 -0.005 0.000 0.212 257 L C 2.556 179.392 176.870 -0.056 0.000 1.075 257 L CA 1.617 56.507 54.840 0.084 0.000 0.752 257 L CB -0.910 41.375 42.059 0.376 0.000 0.891 257 L HN 0.128 nan 8.230 nan 0.000 0.432 258 S N -0.740 114.943 115.700 -0.028 0.000 2.383 258 S HA -0.107 4.360 4.470 -0.005 0.000 0.227 258 S C 1.715 176.057 174.600 -0.429 0.000 1.026 258 S CA 1.159 59.253 58.200 -0.177 0.000 0.981 258 S CB -0.246 62.843 63.200 -0.184 0.000 0.818 258 S HN 0.237 nan 8.310 nan 0.000 0.472 259 F N 1.964 121.682 119.950 -0.385 0.000 2.146 259 F HA -0.048 4.476 4.527 -0.005 0.000 0.298 259 F C 2.734 177.996 175.800 -0.896 0.000 1.096 259 F CA 0.841 58.485 58.000 -0.593 0.000 1.275 259 F CB -0.848 37.826 39.000 -0.543 0.000 1.008 259 F HN 0.089 nan 8.300 nan 0.000 0.480 260 S N -0.195 115.102 115.700 -0.672 0.000 2.356 260 S HA -0.232 4.235 4.470 -0.005 0.000 0.223 260 S C 1.983 176.361 174.600 -0.371 0.000 1.032 260 S CA 1.430 59.275 58.200 -0.591 0.000 1.005 260 S CB -0.412 62.452 63.200 -0.559 0.000 0.867 260 S HN 0.240 nan 8.310 nan 0.000 0.449 261 M N 1.659 120.958 119.600 -0.501 0.000 2.319 261 M HA 0.018 4.495 4.480 -0.005 0.000 0.265 261 M C 1.876 177.947 176.300 -0.382 0.000 1.068 261 M CA 1.126 56.066 55.300 -0.601 0.000 1.118 261 M CB -0.357 31.411 32.600 -1.388 0.000 1.395 261 M HN 0.378 nan 8.290 nan 0.000 0.435 262 E N -0.778 119.218 120.200 -0.339 0.000 2.031 262 E HA -0.257 4.090 4.350 -0.005 0.000 0.193 262 E C 1.965 178.484 176.600 -0.135 0.000 0.994 262 E CA 1.580 57.870 56.400 -0.183 0.000 0.800 262 E CB -0.466 29.165 29.700 -0.114 0.000 0.752 262 E HN 0.502 nan 8.360 nan 0.000 0.447 263 F N 1.506 121.267 119.950 -0.315 0.000 2.120 263 F HA -0.200 4.324 4.527 -0.005 0.000 0.300 263 F C 1.963 177.673 175.800 -0.151 0.000 1.095 263 F CA 1.491 59.352 58.000 -0.231 0.000 1.249 263 F CB -0.230 38.554 39.000 -0.361 0.000 0.995 263 F HN 0.036 nan 8.300 nan 0.000 0.480 264 L N 0.081 121.198 121.223 -0.178 0.000 2.083 264 L HA -0.190 4.147 4.340 -0.005 0.000 0.209 264 L C 2.786 179.422 176.870 -0.389 0.000 1.083 264 L CA 1.129 55.831 54.840 -0.230 0.000 0.752 264 L CB -1.073 41.002 42.059 0.026 0.000 0.899 264 L HN 0.305 nan 8.230 nan 0.000 0.433 265 A N -0.171 122.507 122.820 -0.236 0.000 2.070 265 A HA -0.171 4.146 4.320 -0.005 0.000 0.220 265 A C 1.979 179.406 177.584 -0.262 0.000 1.159 265 A CA 1.360 53.250 52.037 -0.245 0.000 0.656 265 A CB -0.220 18.837 19.000 0.095 0.000 0.800 265 A HN 0.382 nan 8.150 nan 0.000 0.453 266 K N -0.158 120.054 120.400 -0.313 0.000 2.373 266 K HA 0.196 4.513 4.320 -0.005 0.000 0.202 266 K C -0.438 175.932 176.600 -0.382 0.000 1.025 266 K CA 0.149 56.268 56.287 -0.280 0.000 1.115 266 K CB 0.646 33.020 32.500 -0.210 0.000 0.858 266 K HN 0.249 nan 8.250 nan 0.000 0.525 267 S N 1.751 117.151 115.700 -0.500 0.000 2.112 267 S HA 0.202 4.669 4.470 -0.005 0.000 0.151 267 S C -2.311 172.159 174.600 -0.216 0.000 1.723 267 S CA -1.003 56.936 58.200 -0.436 0.000 1.263 267 S CB 1.116 63.792 63.200 -0.874 0.000 1.194 267 S HN -0.033 nan 8.310 nan 0.000 0.419 268 P HA -0.188 nan 4.420 nan 0.000 0.216 268 P C 1.306 178.579 177.300 -0.046 0.000 1.157 268 P CA 1.336 64.362 63.100 -0.122 0.000 0.880 268 P CB 0.202 31.845 31.700 -0.095 0.000 0.791 269 E N -1.794 118.402 120.200 -0.006 0.000 2.118 269 E HA -0.242 4.105 4.350 -0.005 0.000 0.195 269 E C 2.010 178.629 176.600 0.032 0.000 0.992 269 E CA 1.175 57.585 56.400 0.016 0.000 0.804 269 E CB -0.534 29.183 29.700 0.029 0.000 0.741 269 E HN 0.435 nan 8.360 nan 0.000 0.458 270 H N 0.122 119.193 119.070 0.000 0.000 2.389 270 H HA 0.028 4.581 4.556 -0.005 0.000 0.299 270 H C 2.063 177.531 175.328 0.233 0.000 1.081 270 H CA 1.184 57.321 56.048 0.149 0.000 1.345 270 H CB 0.168 30.032 29.762 0.171 0.000 1.393 270 H HN 0.007 nan 8.280 nan 0.000 0.520 271 R N 0.082 120.681 120.500 0.166 0.000 2.081 271 R HA -0.123 4.214 4.340 -0.005 0.000 0.235 271 R C 2.098 178.439 176.300 0.068 0.000 1.131 271 R CA 1.060 57.209 56.100 0.083 0.000 0.960 271 R CB -0.062 30.189 30.300 -0.081 0.000 0.856 271 R HN 0.384 nan 8.270 nan 0.000 0.436 272 Q N 0.753 120.577 119.800 0.039 0.000 2.084 272 Q HA -0.209 4.128 4.340 -0.005 0.000 0.202 272 Q C 1.930 177.956 176.000 0.044 0.000 0.978 272 Q CA 1.469 57.288 55.803 0.027 0.000 0.844 272 Q CB -0.163 28.581 28.738 0.010 0.000 0.898 272 Q HN 0.487 nan 8.270 nan 0.000 0.426 273 E N 0.268 120.507 120.200 0.066 0.000 2.118 273 E HA -0.173 4.174 4.350 -0.005 0.000 0.195 273 E C 1.986 178.635 176.600 0.081 0.000 0.992 273 E CA 0.791 57.239 56.400 0.079 0.000 0.804 273 E CB -0.038 29.732 29.700 0.117 0.000 0.741 273 E HN 0.305 nan 8.360 nan 0.000 0.458 274 L N 0.340 121.618 121.223 0.091 0.000 2.179 274 L HA -0.068 4.269 4.340 -0.005 0.000 0.208 274 L C 2.472 179.359 176.870 0.029 0.000 1.096 274 L CA 0.391 55.250 54.840 0.031 0.000 0.779 274 L CB -0.210 41.850 42.059 0.001 0.000 0.922 274 L HN 0.226 nan 8.230 nan 0.000 0.443 275 I N 0.040 120.633 120.570 0.039 0.000 2.113 275 I HA -0.287 3.880 4.170 -0.005 0.000 0.238 275 I C 2.477 178.607 176.117 0.022 0.000 1.070 275 I CA 1.371 62.688 61.300 0.028 0.000 1.332 275 I CB -0.086 37.928 38.000 0.024 0.000 1.044 275 I HN 0.186 nan 8.210 nan 0.000 0.402 276 E N 0.370 120.584 120.200 0.023 0.000 2.077 276 E HA -0.127 4.220 4.350 -0.005 0.000 0.193 276 E C 0.449 177.061 176.600 0.021 0.000 0.989 276 E CA 1.011 57.423 56.400 0.020 0.000 0.800 276 E CB 0.275 29.988 29.700 0.022 0.000 0.746 276 E HN 0.083 nan 8.360 nan 0.000 0.452 277 R N -0.391 120.123 120.500 0.024 0.000 2.564 277 R HA 0.189 4.526 4.340 -0.005 0.000 0.282 277 R C -2.283 174.024 176.300 0.012 0.000 1.573 277 R CA -2.092 54.021 56.100 0.021 0.000 1.588 277 R CB 0.445 30.762 30.300 0.029 0.000 1.154 277 R HN 0.091 nan 8.270 nan 0.000 0.606 278 P HA -0.188 nan 4.420 nan 0.000 0.219 278 P C 1.063 178.363 177.300 0.001 0.000 1.146 278 P CA 1.013 64.115 63.100 0.004 0.000 0.808 278 P CB 0.386 32.093 31.700 0.010 0.000 0.779 279 E N 0.398 120.603 120.200 0.008 0.000 2.463 279 E HA -0.171 4.176 4.350 -0.005 0.000 0.201 279 E C 1.248 177.853 176.600 0.007 0.000 1.045 279 E CA 0.965 57.371 56.400 0.011 0.000 0.872 279 E CB -0.602 29.108 29.700 0.016 0.000 0.797 279 E HN 0.354 nan 8.360 nan 0.000 0.538 280 R N 0.150 120.647 120.500 -0.005 0.000 2.362 280 R HA 0.335 4.672 4.340 -0.005 0.000 0.227 280 R C 2.214 178.469 176.300 -0.076 0.000 0.905 280 R CA -0.111 55.979 56.100 -0.015 0.000 1.067 280 R CB 0.028 30.334 30.300 0.010 0.000 1.078 280 R HN 0.160 nan 8.270 nan 0.000 0.516 281 I N 1.943 122.468 120.570 -0.075 0.000 2.151 281 I HA -0.226 3.941 4.170 -0.005 0.000 0.243 281 I C -0.748 175.331 176.117 -0.064 0.000 1.080 281 I CA 1.644 62.880 61.300 -0.106 0.000 1.339 281 I CB -1.100 36.874 38.000 -0.044 0.000 1.039 281 I HN 0.025 nan 8.210 nan 0.000 0.409 282 P HA -0.194 nan 4.420 nan 0.000 0.214 282 P C 1.567 178.888 177.300 0.036 0.000 1.163 282 P CA 2.006 65.125 63.100 0.032 0.000 0.883 282 P CB -0.053 31.672 31.700 0.043 0.000 0.788 283 A N -0.066 122.770 122.820 0.026 0.000 1.908 283 A HA -0.191 4.126 4.320 -0.005 0.000 0.218 283 A C 2.338 179.956 177.584 0.057 0.000 1.181 283 A CA 2.401 54.473 52.037 0.058 0.000 0.627 283 A CB -1.679 17.364 19.000 0.071 0.000 0.818 283 A HN 0.204 nan 8.150 nan 0.000 0.445 284 A N -1.004 121.751 122.820 -0.109 0.000 1.902 284 A HA -0.208 4.109 4.320 -0.005 0.000 0.217 284 A C 2.422 179.992 177.584 -0.024 0.000 1.181 284 A CA 1.733 53.575 52.037 -0.325 0.000 0.623 284 A CB -1.518 16.714 19.000 -1.279 0.000 0.818 284 A HN 0.986 nan 8.150 nan 0.000 0.443 285 C N -0.402 118.900 119.300 0.003 0.000 2.398 285 C HA -0.159 4.298 4.460 -0.005 0.000 0.276 285 C C 2.576 177.665 174.990 0.163 0.000 1.222 285 C CA 1.842 60.937 59.018 0.128 0.000 1.746 285 C CB -1.167 26.651 27.740 0.130 0.000 2.039 285 C HN 0.625 nan 8.230 nan 0.000 0.470 286 E N 0.518 120.800 120.200 0.137 0.000 2.051 286 E HA -0.185 4.162 4.350 -0.005 0.000 0.192 286 E C 1.992 178.662 176.600 0.116 0.000 0.991 286 E CA 1.769 58.252 56.400 0.138 0.000 0.799 286 E CB -0.781 29.023 29.700 0.172 0.000 0.748 286 E HN 0.826 nan 8.360 nan 0.000 0.449 287 E N 0.993 121.292 120.200 0.165 0.000 2.097 287 E HA -0.154 4.193 4.350 -0.005 0.000 0.196 287 E C 2.175 178.835 176.600 0.099 0.000 1.000 287 E CA 1.062 57.551 56.400 0.149 0.000 0.804 287 E CB -0.379 29.484 29.700 0.272 0.000 0.740 287 E HN 0.205 nan 8.360 nan 0.000 0.454 288 L N -0.141 121.213 121.223 0.217 0.000 2.093 288 L HA -0.111 4.226 4.340 -0.005 0.000 0.208 288 L C 2.553 179.660 176.870 0.394 0.000 1.085 288 L CA 0.714 55.738 54.840 0.307 0.000 0.755 288 L CB -0.384 41.892 42.059 0.362 0.000 0.904 288 L HN 0.211 nan 8.230 nan 0.000 0.435 289 L N -0.355 120.998 121.223 0.217 0.000 2.079 289 L HA -0.238 4.099 4.340 -0.005 0.000 0.210 289 L C 2.881 179.505 176.870 -0.411 0.000 1.081 289 L CA 1.309 56.001 54.840 -0.247 0.000 0.752 289 L CB -0.437 41.323 42.059 -0.497 0.000 0.896 289 L HN 0.305 nan 8.230 nan 0.000 0.433 290 R N 0.166 120.463 120.500 -0.339 0.000 2.052 290 R HA -0.179 4.158 4.340 -0.005 0.000 0.226 290 R C 2.489 178.617 176.300 -0.286 0.000 1.145 290 R CA 1.231 57.144 56.100 -0.311 0.000 0.952 290 R CB -0.150 30.084 30.300 -0.110 0.000 0.847 290 R HN 0.035 nan 8.270 nan 0.000 0.431 291 R N 0.254 120.562 120.500 -0.320 0.000 2.091 291 R HA -0.101 4.236 4.340 -0.005 0.000 0.238 291 R C 0.447 176.246 176.300 -0.835 0.000 1.136 291 R CA 1.664 57.378 56.100 -0.644 0.000 0.959 291 R CB -0.362 29.362 30.300 -0.960 0.000 0.856 291 R HN 0.275 nan 8.270 nan 0.000 0.437 292 F N 0.467 120.321 119.950 -0.160 0.000 2.942 292 F HA 0.404 4.928 4.527 -0.005 0.000 0.324 292 F C 0.315 175.980 175.800 -0.227 0.000 1.265 292 F CA -0.525 57.325 58.000 -0.250 0.000 1.255 292 F CB 0.350 39.207 39.000 -0.238 0.000 1.048 292 F HN -0.131 nan 8.300 nan 0.000 0.512 293 S N 1.677 117.237 115.700 -0.233 0.000 2.568 293 S HA 0.287 4.754 4.470 -0.005 0.000 0.282 293 S C 0.842 175.233 174.600 -0.347 0.000 1.338 293 S CA -0.120 57.894 58.200 -0.310 0.000 1.045 293 S CB 0.506 63.500 63.200 -0.343 0.000 0.873 293 S HN 0.620 nan 8.310 nan 0.000 0.516 294 L N 2.049 123.085 121.223 -0.312 0.000 3.515 294 L HA 0.580 4.917 4.340 -0.005 0.000 0.322 294 L C -0.888 175.813 176.870 -0.281 0.000 1.225 294 L CA -0.509 54.148 54.840 -0.305 0.000 1.104 294 L CB 0.237 42.219 42.059 -0.129 0.000 1.506 294 L HN 0.323 nan 8.230 nan 0.000 0.624 295 V N 1.861 121.602 119.914 -0.288 0.000 2.612 295 V HA 0.847 4.964 4.120 -0.005 0.000 0.301 295 V C 0.282 176.180 176.094 -0.326 0.000 1.046 295 V CA 0.069 62.220 62.300 -0.249 0.000 0.946 295 V CB 1.522 33.248 31.823 -0.161 0.000 1.003 295 V HN 0.347 nan 8.190 nan 0.000 0.459 296 A N 3.317 125.949 122.820 -0.313 0.000 2.679 296 A HA 0.677 4.994 4.320 -0.005 0.000 0.288 296 A C -0.742 176.708 177.584 -0.223 0.000 1.160 296 A CA -0.636 51.232 52.037 -0.281 0.000 0.763 296 A CB 0.623 19.344 19.000 -0.465 0.000 1.270 296 A HN 0.850 nan 8.150 nan 0.000 0.417 297 D N 1.411 121.734 120.400 -0.128 0.000 2.668 297 D HA 0.858 5.495 4.640 -0.005 0.000 0.249 297 D C 0.457 176.740 176.300 -0.029 0.000 1.150 297 D CA 0.004 53.907 54.000 -0.162 0.000 1.090 297 D CB 1.115 41.821 40.800 -0.158 0.000 1.244 297 D HN 0.851 nan 8.370 nan 0.000 0.636 298 G N -1.910 106.876 108.800 -0.023 0.000 2.619 298 G HA2 0.586 4.543 3.960 -0.005 0.000 0.305 298 G HA3 0.586 4.543 3.960 -0.005 0.000 0.305 298 G C -1.125 173.768 174.900 -0.012 0.000 1.330 298 G CA -0.834 44.242 45.100 -0.039 0.000 0.789 298 G HN 0.424 nan 8.290 nan 0.000 0.487 299 R N -1.169 119.325 120.500 -0.011 0.000 2.869 299 R HA 0.659 4.996 4.340 -0.005 0.000 0.263 299 R C -1.279 175.096 176.300 0.125 0.000 1.066 299 R CA -0.814 55.326 56.100 0.066 0.000 0.960 299 R CB 1.986 32.350 30.300 0.107 0.000 1.221 299 R HN 0.594 nan 8.270 nan 0.000 0.474 300 I N 1.264 121.922 120.570 0.147 0.000 2.608 300 I HA 0.274 4.441 4.170 -0.005 0.000 0.295 300 I C -0.790 175.416 176.117 0.149 0.000 1.049 300 I CA -1.062 60.332 61.300 0.157 0.000 1.063 300 I CB 1.515 39.582 38.000 0.112 0.000 1.248 300 I HN 0.228 nan 8.210 nan 0.000 0.424 301 L N 6.498 127.819 121.223 0.162 0.000 2.418 301 L HA 0.116 4.453 4.340 -0.005 0.000 0.274 301 L C 1.618 178.505 176.870 0.029 0.000 1.135 301 L CA 0.424 55.304 54.840 0.066 0.000 0.870 301 L CB 1.020 43.154 42.059 0.126 0.000 1.154 301 L HN 0.807 nan 8.230 nan 0.000 0.462 302 T N -1.245 113.283 114.554 -0.044 0.000 3.023 302 T HA 0.019 4.366 4.350 -0.005 0.000 0.266 302 T C 0.848 175.532 174.700 -0.027 0.000 1.093 302 T CA 0.620 62.695 62.100 -0.042 0.000 1.129 302 T CB 0.137 68.944 68.868 -0.102 0.000 0.899 302 T HN 0.644 nan 8.240 nan 0.000 0.491 303 S N -0.427 115.267 115.700 -0.010 0.000 2.727 303 S HA 0.470 4.937 4.470 -0.005 0.000 0.278 303 S C -2.061 172.574 174.600 0.058 0.000 1.186 303 S CA -1.192 57.019 58.200 0.019 0.000 0.836 303 S CB 0.967 64.171 63.200 0.008 0.000 1.186 303 S HN 0.074 nan 8.310 nan 0.000 0.499 304 D N 1.028 121.465 120.400 0.061 0.000 2.389 304 D HA 0.507 5.144 4.640 -0.005 0.000 0.247 304 D C -1.118 175.271 176.300 0.149 0.000 1.128 304 D CA 0.749 54.792 54.000 0.072 0.000 0.884 304 D CB 0.563 41.386 40.800 0.038 0.000 1.194 304 D HN 0.529 nan 8.370 nan 0.000 0.441 305 Y N 0.606 120.870 120.300 -0.060 0.000 2.390 305 Y HA 0.130 4.678 4.550 -0.004 0.000 0.324 305 Y C -0.999 174.849 175.900 -0.087 0.000 1.151 305 Y CA -0.845 57.175 58.100 -0.134 0.000 1.053 305 Y CB 1.170 39.439 38.460 -0.318 0.000 1.277 305 Y HN 0.286 nan 8.280 nan 0.000 0.432 306 E N 5.876 125.781 120.200 -0.492 0.000 2.180 306 E HA 0.270 4.617 4.350 -0.005 0.000 0.283 306 E C -1.783 174.360 176.600 -0.762 0.000 1.061 306 E CA -0.258 55.868 56.400 -0.456 0.000 0.861 306 E CB 0.495 30.043 29.700 -0.255 0.000 1.056 306 E HN 0.446 nan 8.360 nan 0.000 0.407 307 F N 5.078 124.632 119.950 -0.661 0.000 2.499 307 F HA 0.222 4.746 4.527 -0.005 0.000 0.333 307 F C -0.418 175.270 175.800 -0.187 0.000 1.138 307 F CA -0.730 56.985 58.000 -0.475 0.000 0.945 307 F CB 0.509 39.366 39.000 -0.239 0.000 1.181 307 F HN 0.593 nan 8.300 nan 0.000 0.435 308 H N 4.186 122.901 119.070 -0.592 0.000 2.592 308 H HA -0.187 4.366 4.556 -0.005 0.000 0.323 308 H C 1.449 176.607 175.328 -0.283 0.000 1.117 308 H CA 1.101 56.861 56.048 -0.479 0.000 1.120 308 H CB -1.002 28.377 29.762 -0.640 0.000 1.561 308 H HN 1.164 nan 8.280 nan 0.000 0.409 309 G N -0.901 107.792 108.800 -0.179 0.000 2.189 309 G HA2 -0.334 3.623 3.960 -0.005 0.000 0.267 309 G HA3 -0.334 3.623 3.960 -0.005 0.000 0.267 309 G C 0.336 175.189 174.900 -0.078 0.000 0.975 309 G CA 0.457 45.494 45.100 -0.106 0.000 0.644 309 G HN 0.517 nan 8.290 nan 0.000 0.537 310 V N 1.053 120.896 119.914 -0.118 0.000 2.459 310 V HA 0.499 4.616 4.120 -0.005 0.000 0.295 310 V C 0.175 176.190 176.094 -0.132 0.000 1.029 310 V CA -1.071 61.157 62.300 -0.120 0.000 0.874 310 V CB 1.901 33.581 31.823 -0.239 0.000 0.985 310 V HN 0.239 nan 8.190 nan 0.000 0.438 311 Q N 4.306 124.089 119.800 -0.028 0.000 2.323 311 Q HA 0.440 4.777 4.340 -0.005 0.000 0.257 311 Q C -0.837 175.227 176.000 0.107 0.000 1.022 311 Q CA 0.143 55.958 55.803 0.021 0.000 0.919 311 Q CB 1.094 29.883 28.738 0.084 0.000 1.220 311 Q HN 0.582 nan 8.270 nan 0.000 0.427 312 L N 3.233 124.476 121.223 0.033 0.000 2.309 312 L HA 0.428 4.765 4.340 -0.005 0.000 0.282 312 L C 0.311 177.275 176.870 0.157 0.000 1.036 312 L CA -0.906 54.027 54.840 0.154 0.000 0.806 312 L CB 0.965 43.041 42.059 0.028 0.000 1.220 312 L HN 0.121 nan 8.230 nan 0.000 0.429 313 K N 2.485 122.988 120.400 0.171 0.000 2.110 313 K HA 0.275 4.592 4.320 -0.005 0.000 0.263 313 K C -0.394 176.253 176.600 0.079 0.000 0.975 313 K CA -0.779 55.498 56.287 -0.017 0.000 0.895 313 K CB 1.531 33.816 32.500 -0.358 0.000 1.060 313 K HN 0.392 nan 8.250 nan 0.000 0.448 314 K N 0.237 120.663 120.400 0.043 0.000 2.524 314 K HA -0.002 4.315 4.320 -0.005 0.000 0.279 314 K C 0.749 177.398 176.600 0.082 0.000 0.993 314 K CA 1.536 57.858 56.287 0.058 0.000 1.030 314 K CB -0.063 32.456 32.500 0.031 0.000 0.891 314 K HN 0.739 nan 8.250 nan 0.000 0.488 315 G N 2.846 111.712 108.800 0.110 0.000 2.241 315 G HA2 -0.216 3.741 3.960 -0.005 0.000 0.244 315 G HA3 -0.216 3.741 3.960 -0.005 0.000 0.244 315 G C -0.453 174.571 174.900 0.207 0.000 0.998 315 G CA 0.217 45.396 45.100 0.132 0.000 0.621 315 G HN 0.734 nan 8.290 nan 0.000 0.519 316 D N 1.616 122.191 120.400 0.292 0.000 2.389 316 D HA 0.453 5.090 4.640 -0.005 0.000 0.247 316 D C 0.797 177.343 176.300 0.410 0.000 1.128 316 D CA 0.403 54.680 54.000 0.461 0.000 0.884 316 D CB 0.646 41.907 40.800 0.768 0.000 1.194 316 D HN 0.498 nan 8.370 nan 0.000 0.441 317 Q N 0.906 120.923 119.800 0.361 0.000 2.235 317 Q HA 0.591 4.928 4.340 -0.005 0.000 0.250 317 Q C -0.385 175.814 176.000 0.331 0.000 0.909 317 Q CA -0.571 55.381 55.803 0.248 0.000 0.910 317 Q CB 2.384 31.183 28.738 0.101 0.000 1.223 317 Q HN 0.465 nan 8.270 nan 0.000 0.432 318 I N 2.831 123.550 120.570 0.248 0.000 2.468 318 I HA 0.238 4.405 4.170 -0.005 0.000 0.285 318 I C -1.583 174.566 176.117 0.054 0.000 1.039 318 I CA -1.050 60.400 61.300 0.251 0.000 1.074 318 I CB 1.150 39.291 38.000 0.235 0.000 1.228 318 I HN 0.514 nan 8.210 nan 0.000 0.436 319 L N 8.366 129.627 121.223 0.064 0.000 2.361 319 L HA 0.391 4.728 4.340 -0.005 0.000 0.278 319 L C -1.148 175.713 176.870 -0.014 0.000 1.113 319 L CA 0.340 55.173 54.840 -0.012 0.000 0.849 319 L CB 0.648 42.729 42.059 0.037 0.000 1.155 319 L HN 0.569 nan 8.230 nan 0.000 0.452 320 L N 7.977 129.155 121.223 -0.076 0.000 2.435 320 L HA 0.383 4.720 4.340 -0.005 0.000 0.253 320 L C -2.081 174.828 176.870 0.065 0.000 1.087 320 L CA -1.728 53.041 54.840 -0.119 0.000 0.950 320 L CB 0.772 42.499 42.059 -0.553 0.000 1.304 320 L HN 0.509 nan 8.230 nan 0.000 0.453 321 P HA 0.006 nan 4.420 nan 0.000 0.257 321 P C 0.338 177.596 177.300 -0.071 0.000 1.269 321 P CA 0.065 63.130 63.100 -0.058 0.000 1.122 321 P CB 0.556 32.221 31.700 -0.059 0.000 1.285 322 Q N 2.112 121.886 119.800 -0.043 0.000 2.217 322 Q HA -0.240 4.097 4.340 -0.005 0.000 0.209 322 Q C 1.916 177.817 176.000 -0.165 0.000 0.988 322 Q CA 1.788 57.543 55.803 -0.079 0.000 0.878 322 Q CB -0.617 28.038 28.738 -0.139 0.000 0.909 322 Q HN 0.493 nan 8.270 nan 0.000 0.424 323 M N -0.325 119.112 119.600 -0.272 0.000 2.108 323 M HA -0.216 4.261 4.480 -0.005 0.000 0.261 323 M C 1.545 177.695 176.300 -0.251 0.000 1.066 323 M CA 1.588 56.685 55.300 -0.338 0.000 1.107 323 M CB -0.039 32.230 32.600 -0.550 0.000 1.356 323 M HN 0.303 nan 8.290 nan 0.000 0.406 324 L N -0.416 120.689 121.223 -0.197 0.000 2.141 324 L HA -0.158 4.179 4.340 -0.005 0.000 0.209 324 L C 2.420 179.226 176.870 -0.107 0.000 1.094 324 L CA 0.856 55.618 54.840 -0.130 0.000 0.763 324 L CB -0.590 41.416 42.059 -0.088 0.000 0.908 324 L HN 0.353 nan 8.230 nan 0.000 0.437 325 S N 0.464 116.108 115.700 -0.093 0.000 2.359 325 S HA -0.209 4.258 4.470 -0.005 0.000 0.222 325 S C 1.987 176.547 174.600 -0.066 0.000 1.038 325 S CA 1.609 59.764 58.200 -0.075 0.000 1.051 325 S CB -0.853 62.310 63.200 -0.062 0.000 0.944 325 S HN 0.610 nan 8.310 nan 0.000 0.433 326 G N 0.721 109.487 108.800 -0.057 0.000 2.471 326 G HA2 -0.005 3.952 3.960 -0.005 0.000 0.219 326 G HA3 -0.005 3.952 3.960 -0.005 0.000 0.219 326 G C 1.179 176.027 174.900 -0.087 0.000 1.125 326 G CA 0.300 45.374 45.100 -0.044 0.000 0.775 326 G HN 0.453 nan 8.290 nan 0.000 0.548 327 L N 0.140 121.296 121.223 -0.112 0.000 2.509 327 L HA 0.166 4.503 4.340 -0.005 0.000 0.222 327 L C 0.674 177.491 176.870 -0.087 0.000 1.123 327 L CA -0.318 54.451 54.840 -0.117 0.000 0.856 327 L CB 0.031 42.011 42.059 -0.131 0.000 0.985 327 L HN 0.023 nan 8.230 nan 0.000 0.456 328 D N 1.637 121.989 120.400 -0.080 0.000 2.434 328 D HA -0.103 4.534 4.640 -0.005 0.000 0.252 328 D C 1.325 177.589 176.300 -0.059 0.000 1.185 328 D CA 0.180 54.137 54.000 -0.072 0.000 0.886 328 D CB 1.049 41.804 40.800 -0.075 0.000 1.148 328 D HN 0.354 nan 8.370 nan 0.000 0.483 329 E N 4.061 124.229 120.200 -0.054 0.000 2.204 329 E HA -0.199 4.148 4.350 -0.005 0.000 0.194 329 E C 0.970 177.545 176.600 -0.041 0.000 0.989 329 E CA 0.608 56.982 56.400 -0.043 0.000 0.824 329 E CB -0.049 29.628 29.700 -0.040 0.000 0.756 329 E HN 0.454 nan 8.360 nan 0.000 0.477 330 R N 0.392 120.863 120.500 -0.048 0.000 2.339 330 R HA 0.032 4.369 4.340 -0.005 0.000 0.199 330 R C 1.433 177.708 176.300 -0.041 0.000 1.018 330 R CA 0.789 56.861 56.100 -0.045 0.000 1.036 330 R CB 0.110 30.377 30.300 -0.055 0.000 0.899 330 R HN 0.379 nan 8.270 nan 0.000 0.473 331 E N -0.460 119.715 120.200 -0.042 0.000 2.354 331 E HA 0.126 4.473 4.350 -0.005 0.000 0.203 331 E C -0.119 176.465 176.600 -0.026 0.000 0.841 331 E CA 0.167 56.546 56.400 -0.036 0.000 1.046 331 E CB 0.641 30.316 29.700 -0.042 0.000 1.040 331 E HN 0.200 nan 8.360 nan 0.000 0.504 332 N N 0.791 119.475 118.700 -0.027 0.000 2.371 332 N HA 0.356 5.093 4.740 -0.005 0.000 0.291 332 N C -1.010 174.490 175.510 -0.018 0.000 1.053 332 N CA -0.179 52.860 53.050 -0.018 0.000 0.870 332 N CB 2.232 40.707 38.487 -0.019 0.000 1.503 332 N HN -0.017 nan 8.380 nan 0.000 0.485 333 A N 1.416 124.230 122.820 -0.010 0.000 2.425 333 A HA 0.524 4.841 4.320 -0.005 0.000 0.242 333 A C 0.996 178.578 177.584 -0.003 0.000 1.077 333 A CA 0.431 52.462 52.037 -0.011 0.000 0.781 333 A CB -0.109 18.884 19.000 -0.011 0.000 1.020 333 A HN 1.198 nan 8.150 nan 0.000 0.494 334 A N 1.801 124.616 122.820 -0.008 0.000 2.560 334 A HA -0.111 4.206 4.320 -0.005 0.000 0.299 334 A C -0.425 177.174 177.584 0.025 0.000 1.484 334 A CA 0.760 52.802 52.037 0.009 0.000 0.749 334 A CB -1.673 17.332 19.000 0.008 0.000 1.072 334 A HN 0.799 nan 8.150 nan 0.000 0.426 335 P HA -0.227 nan 4.420 nan 0.000 0.216 335 P C 1.274 178.522 177.300 -0.088 0.000 1.150 335 P CA 1.590 64.658 63.100 -0.053 0.000 0.843 335 P CB -0.139 31.523 31.700 -0.063 0.000 0.787 336 M N -1.626 117.939 119.600 -0.060 0.000 2.659 336 M HA 0.013 4.490 4.480 -0.005 0.000 0.243 336 M C 0.719 176.978 176.300 -0.067 0.000 1.111 336 M CA 0.411 55.658 55.300 -0.088 0.000 1.070 336 M CB -1.922 30.656 32.600 -0.036 0.000 1.525 336 M HN 0.049 nan 8.290 nan 0.000 0.517 337 H N 0.235 119.236 119.070 -0.115 0.000 2.517 337 H HA 0.416 4.969 4.556 -0.005 0.000 0.317 337 H C -0.991 174.255 175.328 -0.137 0.000 1.080 337 H CA -0.445 55.549 56.048 -0.090 0.000 1.301 337 H CB 0.941 30.676 29.762 -0.046 0.000 1.425 337 H HN -0.173 nan 8.280 nan 0.000 0.471 338 V N 5.462 124.933 119.914 -0.739 0.000 2.461 338 V HA 0.148 4.265 4.120 -0.005 0.000 0.275 338 V C -0.095 175.669 176.094 -0.550 0.000 1.047 338 V CA -0.128 61.801 62.300 -0.618 0.000 0.955 338 V CB 0.960 32.302 31.823 -0.801 0.000 0.988 338 V HN 0.841 nan 8.190 nan 0.000 0.471 339 D N 3.830 124.046 120.400 -0.308 0.000 2.336 339 D HA 0.333 4.970 4.640 -0.005 0.000 0.248 339 D C 0.314 176.599 176.300 -0.025 0.000 1.326 339 D CA -0.536 53.375 54.000 -0.148 0.000 0.973 339 D CB 0.840 41.663 40.800 0.038 0.000 1.255 339 D HN 0.212 nan 8.370 nan 0.000 0.558 340 F N 1.176 121.163 119.950 0.063 0.000 2.494 340 F HA -0.005 4.519 4.527 -0.005 0.000 0.298 340 F C 2.144 177.969 175.800 0.043 0.000 1.106 340 F CA 0.454 58.487 58.000 0.054 0.000 1.452 340 F CB -0.385 38.649 39.000 0.057 0.000 1.085 340 F HN 0.259 nan 8.300 nan 0.000 0.569 341 S N -0.967 114.841 115.700 0.180 0.000 2.540 341 S HA 0.068 4.535 4.470 -0.005 0.000 0.218 341 S C 0.839 175.494 174.600 0.093 0.000 0.977 341 S CA -0.594 57.679 58.200 0.121 0.000 0.918 341 S CB -0.248 63.005 63.200 0.088 0.000 0.806 341 S HN 0.218 nan 8.310 nan 0.000 0.496 342 R N 2.424 122.981 120.500 0.095 0.000 2.501 342 R HA -0.047 4.290 4.340 -0.005 0.000 0.319 342 R C 1.256 177.596 176.300 0.067 0.000 0.913 342 R CA 0.319 56.463 56.100 0.074 0.000 1.104 342 R CB 0.244 30.586 30.300 0.070 0.000 0.901 342 R HN 0.191 nan 8.270 nan 0.000 0.407 343 Q N 2.583 122.413 119.800 0.051 0.000 2.014 343 Q HA -0.197 4.140 4.340 -0.005 0.000 0.207 343 Q C 0.221 176.245 176.000 0.039 0.000 0.993 343 Q CA 1.785 57.613 55.803 0.042 0.000 0.850 343 Q CB -0.147 28.610 28.738 0.031 0.000 0.916 343 Q HN 0.355 nan 8.270 nan 0.000 0.417 344 K N 0.677 121.097 120.400 0.033 0.000 2.521 344 K HA 0.274 4.591 4.320 -0.005 0.000 0.248 344 K C -1.559 175.058 176.600 0.029 0.000 0.978 344 K CA -0.357 55.946 56.287 0.026 0.000 0.947 344 K CB 1.290 33.799 32.500 0.015 0.000 1.165 344 K HN -0.219 nan 8.250 nan 0.000 0.445 345 V N 3.658 123.597 119.914 0.043 0.000 2.387 345 V HA 0.247 4.364 4.120 -0.005 0.000 0.260 345 V C -0.002 176.108 176.094 0.026 0.000 1.054 345 V CA -0.373 61.966 62.300 0.064 0.000 0.967 345 V CB 0.673 32.567 31.823 0.119 0.000 1.036 345 V HN 0.790 nan 8.190 nan 0.000 0.481 346 S N 5.559 121.267 115.700 0.013 0.000 2.437 346 S HA 0.762 5.229 4.470 -0.005 0.000 0.305 346 S C -0.605 173.990 174.600 -0.009 0.000 1.109 346 S CA -0.450 57.722 58.200 -0.046 0.000 1.099 346 S CB 0.478 63.660 63.200 -0.031 0.000 1.004 346 S HN 1.101 nan 8.310 nan 0.000 0.475 347 H N 0.170 119.221 119.070 -0.033 0.000 2.887 347 H HA 0.563 5.116 4.556 -0.005 0.000 0.290 347 H C -0.537 174.763 175.328 -0.045 0.000 1.429 347 H CA -0.268 55.740 56.048 -0.067 0.000 1.137 347 H CB 0.785 30.482 29.762 -0.110 0.000 1.824 347 H HN 0.377 nan 8.280 nan 0.000 0.520 348 T N -3.053 111.610 114.554 0.182 0.000 3.672 348 T HA 0.186 4.533 4.350 -0.005 0.000 0.296 348 T C 0.242 174.967 174.700 0.041 0.000 0.979 348 T CA 0.121 62.290 62.100 0.114 0.000 1.013 348 T CB -0.548 68.332 68.868 0.020 0.000 1.184 348 T HN 0.606 nan 8.240 nan 0.000 0.477 349 T N 1.119 115.701 114.554 0.047 0.000 2.915 349 T HA 0.090 4.437 4.350 -0.005 0.000 0.269 349 T C 0.410 174.849 174.700 -0.435 0.000 1.071 349 T CA 1.047 62.914 62.100 -0.388 0.000 1.132 349 T CB -0.365 67.999 68.868 -0.839 0.000 0.878 349 T HN 0.477 nan 8.240 nan 0.000 0.479 350 F N 1.080 121.007 119.950 -0.038 0.000 2.639 350 F HA 0.493 5.017 4.527 -0.005 0.000 0.300 350 F C 1.559 177.307 175.800 -0.088 0.000 1.109 350 F CA -0.409 57.544 58.000 -0.078 0.000 1.335 350 F CB -0.282 38.677 39.000 -0.068 0.000 1.014 350 F HN 0.267 nan 8.300 nan 0.000 0.537 351 G N 0.028 108.832 108.800 0.007 0.000 2.610 351 G HA2 -0.047 3.910 3.960 -0.005 0.000 0.304 351 G HA3 -0.047 3.910 3.960 -0.005 0.000 0.304 351 G C -1.509 173.357 174.900 -0.056 0.000 1.309 351 G CA -0.766 44.250 45.100 -0.140 0.000 0.906 351 G HN 0.503 nan 8.290 nan 0.000 0.521 352 H N -1.080 117.798 119.070 -0.320 0.000 3.112 352 H HA 0.669 5.222 4.556 -0.005 0.000 0.347 352 H C 0.488 175.809 175.328 -0.013 0.000 1.188 352 H CA 1.714 57.692 56.048 -0.117 0.000 1.240 352 H CB 1.333 31.072 29.762 -0.038 0.000 1.920 352 H HN 2.635 nan 8.280 nan 0.000 0.535 353 G N 1.147 109.797 108.800 -0.251 0.000 2.482 353 G HA2 -0.229 3.728 3.960 -0.005 0.000 0.214 353 G HA3 -0.229 3.728 3.960 -0.005 0.000 0.214 353 G C 0.864 175.771 174.900 0.011 0.000 1.271 353 G CA 0.239 45.346 45.100 0.012 0.000 0.944 353 G HN 1.270 nan 8.290 nan 0.000 0.568 354 S N -0.745 114.999 115.700 0.073 0.000 2.561 354 S HA 0.091 4.558 4.470 -0.005 0.000 0.225 354 S C 1.133 175.617 174.600 -0.194 0.000 0.977 354 S CA 1.503 59.656 58.200 -0.078 0.000 0.926 354 S CB -0.145 62.951 63.200 -0.173 0.000 0.769 354 S HN 0.694 nan 8.310 nan 0.000 0.533 355 H N 0.506 119.584 119.070 0.012 0.000 2.505 355 H HA 0.354 4.907 4.556 -0.005 0.000 0.286 355 H C -0.076 175.240 175.328 -0.020 0.000 1.072 355 H CA -0.673 55.383 56.048 0.014 0.000 1.141 355 H CB 0.066 29.859 29.762 0.051 0.000 1.550 355 H HN 0.261 nan 8.280 nan 0.000 0.547 356 L N 1.497 122.732 121.223 0.020 0.000 2.628 356 L HA -0.142 4.195 4.340 -0.005 0.000 0.292 356 L C 0.823 177.685 176.870 -0.012 0.000 1.250 356 L CA 0.343 55.175 54.840 -0.012 0.000 0.892 356 L CB -0.218 41.812 42.059 -0.049 0.000 1.138 356 L HN 0.374 nan 8.230 nan 0.000 0.502 357 C N 5.939 125.232 119.300 -0.012 0.000 2.601 357 C HA 0.020 4.477 4.460 -0.005 0.000 0.405 357 C C 2.024 176.919 174.990 -0.160 0.000 1.441 357 C CA -0.483 58.505 59.018 -0.050 0.000 1.555 357 C CB -1.307 26.425 27.740 -0.013 0.000 2.450 357 C HN 0.769 nan 8.230 nan 0.000 0.614 358 L N 5.025 126.195 121.223 -0.090 0.000 2.291 358 L HA 0.087 4.424 4.340 -0.005 0.000 0.214 358 L C 2.390 179.175 176.870 -0.141 0.000 1.120 358 L CA 1.468 56.254 54.840 -0.091 0.000 0.799 358 L CB -0.476 41.574 42.059 -0.016 0.000 0.925 358 L HN 0.970 nan 8.230 nan 0.000 0.446 359 G N -0.566 108.142 108.800 -0.154 0.000 3.189 359 G HA2 -0.044 3.913 3.960 -0.005 0.000 0.225 359 G HA3 -0.044 3.913 3.960 -0.005 0.000 0.225 359 G C 1.368 176.085 174.900 -0.305 0.000 1.159 359 G CA -0.036 44.972 45.100 -0.154 0.000 0.763 359 G HN 0.511 nan 8.290 nan 0.000 0.549 360 Q N -0.050 119.375 119.800 -0.624 0.000 2.135 360 Q HA -0.212 4.125 4.340 -0.005 0.000 0.204 360 Q C 1.796 177.391 176.000 -0.675 0.000 0.981 360 Q CA 1.416 56.544 55.803 -1.124 0.000 0.856 360 Q CB -0.580 27.078 28.738 -1.800 0.000 0.902 360 Q HN 0.444 nan 8.270 nan 0.000 0.425 361 H N 0.354 119.262 119.070 -0.269 0.000 2.423 361 H HA -0.054 4.499 4.556 -0.005 0.000 0.297 361 H C 2.104 177.387 175.328 -0.075 0.000 1.075 361 H CA 1.353 57.318 56.048 -0.138 0.000 1.342 361 H CB -0.120 29.586 29.762 -0.094 0.000 1.395 361 H HN 0.279 nan 8.280 nan 0.000 0.530 362 L N 0.972 122.197 121.223 0.003 0.000 2.109 362 L HA 0.058 4.395 4.340 -0.005 0.000 0.207 362 L C 2.471 179.353 176.870 0.020 0.000 1.086 362 L CA 1.527 56.379 54.840 0.020 0.000 0.760 362 L CB -0.747 41.321 42.059 0.014 0.000 0.910 362 L HN 0.146 nan 8.230 nan 0.000 0.437 363 A N -0.170 122.637 122.820 -0.021 0.000 1.858 363 A HA -0.202 4.115 4.320 -0.005 0.000 0.216 363 A C 2.426 180.082 177.584 0.121 0.000 1.190 363 A CA 1.741 53.813 52.037 0.058 0.000 0.617 363 A CB -0.556 18.504 19.000 0.100 0.000 0.827 363 A HN 0.474 nan 8.150 nan 0.000 0.443 364 R N -1.228 119.327 120.500 0.091 0.000 2.096 364 R HA -0.133 4.204 4.340 -0.005 0.000 0.235 364 R C 2.460 178.851 176.300 0.152 0.000 1.127 364 R CA 1.588 57.775 56.100 0.144 0.000 0.968 364 R CB -0.265 30.110 30.300 0.125 0.000 0.861 364 R HN 0.452 nan 8.270 nan 0.000 0.440 365 R N 1.272 121.848 120.500 0.128 0.000 2.073 365 R HA -0.128 4.209 4.340 -0.005 0.000 0.234 365 R C 1.904 178.323 176.300 0.197 0.000 1.134 365 R CA 1.664 57.847 56.100 0.138 0.000 0.952 365 R CB -0.044 30.320 30.300 0.106 0.000 0.850 365 R HN 0.285 nan 8.270 nan 0.000 0.433 366 E N -0.224 120.097 120.200 0.203 0.000 2.031 366 E HA -0.201 4.146 4.350 -0.005 0.000 0.193 366 E C 2.049 178.915 176.600 0.443 0.000 0.994 366 E CA 1.647 58.242 56.400 0.324 0.000 0.800 366 E CB -0.204 29.587 29.700 0.152 0.000 0.752 366 E HN 0.350 nan 8.360 nan 0.000 0.447 367 I N 1.083 121.862 120.570 0.348 0.000 2.163 367 I HA -0.297 3.870 4.170 -0.005 0.000 0.243 367 I C 2.416 178.691 176.117 0.263 0.000 1.085 367 I CA 1.168 62.678 61.300 0.350 0.000 1.347 367 I CB -0.236 37.989 38.000 0.376 0.000 1.044 367 I HN 0.118 nan 8.210 nan 0.000 0.408 368 I N -0.194 120.506 120.570 0.216 0.000 2.252 368 I HA -0.223 3.944 4.170 -0.005 0.000 0.245 368 I C 2.470 178.675 176.117 0.147 0.000 1.102 368 I CA 1.033 62.426 61.300 0.154 0.000 1.385 368 I CB -0.232 37.843 38.000 0.125 0.000 1.064 368 I HN 0.028 nan 8.210 nan 0.000 0.414 369 V N 0.535 120.563 119.914 0.190 0.000 2.427 369 V HA -0.254 3.863 4.120 -0.005 0.000 0.248 369 V C 2.473 178.650 176.094 0.138 0.000 1.051 369 V CA 2.239 64.641 62.300 0.170 0.000 1.048 369 V CB -0.844 31.120 31.823 0.236 0.000 0.666 369 V HN 0.465 nan 8.190 nan 0.000 0.456 370 T N 0.494 115.161 114.554 0.187 0.000 2.674 370 T HA -0.156 4.191 4.350 -0.005 0.000 0.265 370 T C 1.907 176.661 174.700 0.090 0.000 1.039 370 T CA 1.644 63.822 62.100 0.130 0.000 1.150 370 T CB -0.315 68.717 68.868 0.273 0.000 0.864 370 T HN 0.276 nan 8.240 nan 0.000 0.427 371 L N 0.581 121.860 121.223 0.094 0.000 1.989 371 L HA -0.178 4.159 4.340 -0.005 0.000 0.211 371 L C 2.706 179.622 176.870 0.076 0.000 1.071 371 L CA 1.466 56.343 54.840 0.062 0.000 0.749 371 L CB -0.529 41.552 42.059 0.037 0.000 0.890 371 L HN 0.199 nan 8.230 nan 0.000 0.431 372 K N 0.385 120.825 120.400 0.067 0.000 2.009 372 K HA -0.198 4.119 4.320 -0.005 0.000 0.210 372 K C 1.980 178.608 176.600 0.048 0.000 1.049 372 K CA 1.590 57.909 56.287 0.053 0.000 0.929 372 K CB -0.140 32.391 32.500 0.051 0.000 0.714 372 K HN 0.155 nan 8.250 nan 0.000 0.440 373 E N -0.558 119.668 120.200 0.044 0.000 2.152 373 E HA -0.162 4.185 4.350 -0.005 0.000 0.192 373 E C 1.813 178.401 176.600 -0.020 0.000 0.983 373 E CA 0.640 57.043 56.400 0.005 0.000 0.818 373 E CB -0.408 29.288 29.700 -0.008 0.000 0.758 373 E HN 0.501 nan 8.360 nan 0.000 0.467 374 W N 1.417 122.608 121.300 -0.182 0.000 2.408 374 W HA -0.041 4.616 4.660 -0.005 0.000 0.311 374 W C 1.793 178.212 176.519 -0.167 0.000 1.190 374 W CA 0.760 57.952 57.345 -0.255 0.000 1.321 374 W CB -0.416 28.840 29.460 -0.339 0.000 1.143 374 W HN 0.007 nan 8.180 nan 0.000 0.501 375 L N 0.299 121.665 121.223 0.239 0.000 2.131 375 L HA -0.215 4.122 4.340 -0.005 0.000 0.210 375 L C 2.538 179.427 176.870 0.032 0.000 1.092 375 L CA 1.816 56.760 54.840 0.174 0.000 0.759 375 L CB -1.265 40.884 42.059 0.149 0.000 0.903 375 L HN -0.094 nan 8.230 nan 0.000 0.435 376 T N -0.758 113.794 114.554 -0.003 0.000 3.035 376 T HA -0.065 4.282 4.350 -0.005 0.000 0.268 376 T C 1.847 176.495 174.700 -0.088 0.000 1.109 376 T CA 1.150 63.230 62.100 -0.033 0.000 1.119 376 T CB 0.038 68.893 68.868 -0.022 0.000 0.900 376 T HN 0.334 nan 8.240 nan 0.000 0.503 377 R N -0.644 119.752 120.500 -0.173 0.000 2.369 377 R HA 0.413 4.750 4.340 -0.005 0.000 0.210 377 R C 0.364 176.448 176.300 -0.360 0.000 0.881 377 R CA 0.227 56.179 56.100 -0.246 0.000 1.031 377 R CB 1.044 31.169 30.300 -0.292 0.000 1.184 377 R HN 0.301 nan 8.270 nan 0.000 0.581 378 I N 2.439 122.731 120.570 -0.462 0.000 2.908 378 I HA 0.168 4.335 4.170 -0.005 0.000 0.319 378 I C -1.922 174.140 176.117 -0.092 0.000 1.471 378 I CA -1.359 59.608 61.300 -0.556 0.000 0.809 378 I CB 1.776 38.959 38.000 -1.361 0.000 2.186 378 I HN -0.158 nan 8.210 nan 0.000 0.607 379 P HA -0.157 nan 4.420 nan 0.000 0.218 379 P C 0.229 177.563 177.300 0.058 0.000 1.146 379 P CA 1.527 64.673 63.100 0.077 0.000 0.813 379 P CB 0.482 32.192 31.700 0.018 0.000 0.778 380 D N -0.329 120.115 120.400 0.074 0.000 2.492 380 D HA 0.375 5.012 4.640 -0.005 0.000 0.248 380 D C -0.956 175.468 176.300 0.207 0.000 1.101 380 D CA -0.678 53.334 54.000 0.020 0.000 0.840 380 D CB 1.309 42.128 40.800 0.032 0.000 1.209 380 D HN -0.077 nan 8.370 nan 0.000 0.524 381 F N 0.100 120.115 119.950 0.109 0.000 2.693 381 F HA 0.663 5.187 4.527 -0.005 0.000 0.309 381 F C -1.131 174.752 175.800 0.138 0.000 1.129 381 F CA -0.830 57.301 58.000 0.218 0.000 0.948 381 F CB 1.060 40.212 39.000 0.253 0.000 1.315 381 F HN 0.047 nan 8.300 nan 0.000 0.447 382 S N 0.822 116.731 115.700 0.350 0.000 2.811 382 S HA 0.687 5.154 4.470 -0.005 0.000 0.311 382 S C -0.872 173.866 174.600 0.230 0.000 1.152 382 S CA -0.954 57.347 58.200 0.169 0.000 0.864 382 S CB 1.868 65.119 63.200 0.085 0.000 1.226 382 S HN 0.644 nan 8.310 nan 0.000 0.541 383 I N 1.900 122.542 120.570 0.121 0.000 2.428 383 I HA 0.343 4.510 4.170 -0.005 0.000 0.289 383 I C 0.735 176.906 176.117 0.091 0.000 1.019 383 I CA -0.581 60.782 61.300 0.106 0.000 1.351 383 I CB 0.922 38.954 38.000 0.052 0.000 1.412 383 I HN 0.762 nan 8.210 nan 0.000 0.513 384 A N 8.298 131.172 122.820 0.091 0.000 2.598 384 A HA 0.101 4.418 4.320 -0.005 0.000 0.239 384 A C -2.225 175.384 177.584 0.041 0.000 1.032 384 A CA -0.639 51.434 52.037 0.061 0.000 0.760 384 A CB -0.931 18.099 19.000 0.051 0.000 0.946 384 A HN 0.452 nan 8.150 nan 0.000 0.512 385 P HA 0.166 nan 4.420 nan 0.000 0.260 385 P C 1.238 178.548 177.300 0.017 0.000 1.172 385 P CA 1.893 65.006 63.100 0.021 0.000 0.760 385 P CB 0.391 32.100 31.700 0.015 0.000 0.773 386 G N 2.675 111.483 108.800 0.014 0.000 2.347 386 G HA2 -0.313 3.644 3.960 -0.005 0.000 0.247 386 G HA3 -0.313 3.644 3.960 -0.005 0.000 0.247 386 G C 0.552 175.460 174.900 0.013 0.000 1.037 386 G CA 0.080 45.187 45.100 0.012 0.000 0.622 386 G HN 0.883 nan 8.290 nan 0.000 0.521 387 A N 0.512 123.343 122.820 0.019 0.000 2.598 387 A HA 0.398 4.715 4.320 -0.005 0.000 0.239 387 A C 0.668 178.261 177.584 0.015 0.000 1.032 387 A CA 1.070 53.120 52.037 0.021 0.000 0.760 387 A CB 0.160 19.179 19.000 0.031 0.000 0.946 387 A HN 0.458 nan 8.150 nan 0.000 0.512 388 Q N 2.635 122.442 119.800 0.013 0.000 2.569 388 Q HA 0.250 4.587 4.340 -0.005 0.000 0.226 388 Q C -0.136 175.865 176.000 0.003 0.000 1.136 388 Q CA -0.392 55.414 55.803 0.005 0.000 0.947 388 Q CB 0.511 29.251 28.738 0.004 0.000 1.218 388 Q HN 0.637 nan 8.270 nan 0.000 0.547 389 I N 1.832 122.400 120.570 -0.004 0.000 2.710 389 I HA -0.056 4.111 4.170 -0.005 0.000 0.286 389 I C 0.703 176.798 176.117 -0.037 0.000 1.181 389 I CA 0.714 62.014 61.300 -0.001 0.000 1.430 389 I CB -0.047 37.959 38.000 0.011 0.000 1.367 389 I HN 0.332 nan 8.210 nan 0.000 0.577 390 Q N 5.788 125.604 119.800 0.027 0.000 2.321 390 Q HA 0.426 4.763 4.340 -0.005 0.000 0.270 390 Q C -0.875 175.248 176.000 0.204 0.000 1.032 390 Q CA -0.593 55.237 55.803 0.046 0.000 0.784 390 Q CB 2.502 31.274 28.738 0.058 0.000 1.264 390 Q HN 0.621 nan 8.270 nan 0.000 0.448 391 H N 0.584 119.714 119.070 0.100 0.000 2.544 391 H HA 0.496 5.049 4.556 -0.005 0.000 0.342 391 H C -0.396 175.017 175.328 0.142 0.000 1.185 391 H CA -0.925 55.209 56.048 0.144 0.000 1.264 391 H CB 1.549 31.472 29.762 0.268 0.000 1.607 391 H HN 0.059 nan 8.280 nan 0.000 0.550 392 K N 0.979 121.551 120.400 0.287 0.000 2.422 392 K HA 0.289 4.606 4.320 -0.005 0.000 0.251 392 K C -1.010 175.746 176.600 0.259 0.000 0.933 392 K CA -0.510 55.909 56.287 0.221 0.000 0.798 392 K CB 2.763 35.360 32.500 0.162 0.000 1.238 392 K HN 0.498 nan 8.250 nan 0.000 0.428 393 S N 0.565 116.417 115.700 0.254 0.000 2.509 393 S HA 0.877 5.344 4.470 -0.005 0.000 0.297 393 S C -0.231 174.515 174.600 0.244 0.000 1.118 393 S CA -0.102 58.281 58.200 0.305 0.000 1.074 393 S CB 1.186 64.585 63.200 0.333 0.000 1.038 393 S HN 0.817 nan 8.310 nan 0.000 0.498 394 G N 2.684 111.603 108.800 0.198 0.000 2.500 394 G HA2 0.268 4.225 3.960 -0.005 0.000 0.299 394 G HA3 0.268 4.225 3.960 -0.005 0.000 0.299 394 G C 0.280 175.137 174.900 -0.071 0.000 1.242 394 G CA -0.506 44.632 45.100 0.064 0.000 0.859 394 G HN 0.539 nan 8.290 nan 0.000 0.481 395 I N -0.104 120.389 120.570 -0.130 0.000 2.264 395 I HA 0.003 4.170 4.170 -0.005 0.000 0.248 395 I C 0.807 176.811 176.117 -0.189 0.000 1.111 395 I CA 1.473 62.575 61.300 -0.330 0.000 1.382 395 I CB -0.701 36.920 38.000 -0.630 0.000 1.060 395 I HN -0.011 nan 8.210 nan 0.000 0.418 396 V N 0.863 120.748 119.914 -0.047 0.000 2.483 396 V HA 0.284 4.401 4.120 -0.005 0.000 0.297 396 V C 0.162 176.293 176.094 0.061 0.000 1.027 396 V CA -0.534 61.761 62.300 -0.008 0.000 0.855 396 V CB 1.823 33.677 31.823 0.052 0.000 0.995 396 V HN 0.095 nan 8.190 nan 0.000 0.424 397 S N 2.457 118.192 115.700 0.059 0.000 2.652 397 S HA 0.890 5.357 4.470 -0.005 0.000 0.270 397 S C 0.437 175.235 174.600 0.330 0.000 1.243 397 S CA 0.131 58.441 58.200 0.183 0.000 0.999 397 S CB 1.713 64.999 63.200 0.144 0.000 0.973 397 S HN 1.171 nan 8.310 nan 0.000 0.544 398 G N -0.440 108.547 108.800 0.312 0.000 2.606 398 G HA2 0.532 4.489 3.960 -0.005 0.000 0.300 398 G HA3 0.532 4.489 3.960 -0.005 0.000 0.300 398 G C -1.850 172.908 174.900 -0.237 0.000 1.360 398 G CA -0.529 44.587 45.100 0.028 0.000 0.783 398 G HN 0.620 nan 8.290 nan 0.000 0.484 399 V N 0.735 120.380 119.914 -0.448 0.000 2.398 399 V HA 0.338 4.455 4.120 -0.005 0.000 0.286 399 V C 1.298 177.349 176.094 -0.073 0.000 1.026 399 V CA -0.274 61.853 62.300 -0.289 0.000 0.868 399 V CB 1.335 32.885 31.823 -0.455 0.000 0.982 399 V HN 0.940 nan 8.190 nan 0.000 0.443 400 Q N 3.190 123.005 119.800 0.025 0.000 2.016 400 Q HA 0.117 4.454 4.340 -0.005 0.000 0.200 400 Q C 0.637 176.655 176.000 0.031 0.000 0.978 400 Q CA 1.643 57.469 55.803 0.039 0.000 0.833 400 Q CB 0.264 29.039 28.738 0.062 0.000 0.895 400 Q HN 0.958 nan 8.270 nan 0.000 0.427 401 A N -0.419 122.424 122.820 0.039 0.000 2.604 401 A HA 0.577 4.894 4.320 -0.005 0.000 0.295 401 A C -1.846 175.773 177.584 0.058 0.000 1.067 401 A CA -0.645 51.421 52.037 0.048 0.000 0.683 401 A CB 1.441 20.471 19.000 0.049 0.000 1.281 401 A HN 0.244 nan 8.150 nan 0.000 0.407 402 L N 2.232 123.507 121.223 0.087 0.000 2.529 402 L HA 0.394 4.731 4.340 -0.005 0.000 0.258 402 L C -2.816 174.132 176.870 0.130 0.000 1.032 402 L CA -1.847 53.048 54.840 0.092 0.000 0.899 402 L CB 2.370 44.479 42.059 0.084 0.000 1.174 402 L HN 0.422 nan 8.230 nan 0.000 0.458 403 P HA 0.279 nan 4.420 nan 0.000 0.276 403 P C -0.994 176.396 177.300 0.149 0.000 1.243 403 P CA 0.110 63.280 63.100 0.115 0.000 0.768 403 P CB 0.832 32.577 31.700 0.076 0.000 0.856 404 L N 3.727 125.078 121.223 0.214 0.000 2.362 404 L HA 0.712 5.049 4.340 -0.005 0.000 0.271 404 L C 0.185 177.231 176.870 0.293 0.000 1.002 404 L CA -1.142 53.888 54.840 0.316 0.000 0.818 404 L CB 2.119 44.440 42.059 0.437 0.000 1.298 404 L HN 0.174 nan 8.230 nan 0.000 0.420 405 V N -0.692 119.417 119.914 0.324 0.000 3.040 405 V HA 0.851 4.968 4.120 -0.005 0.000 0.312 405 V C -1.434 174.913 176.094 0.421 0.000 1.115 405 V CA -0.579 61.796 62.300 0.125 0.000 0.998 405 V CB 1.904 33.750 31.823 0.037 0.000 1.042 405 V HN 0.993 nan 8.190 nan 0.000 0.433 406 W N 0.236 121.604 121.300 0.114 0.000 2.986 406 W HA 0.661 5.318 4.660 -0.005 0.000 0.345 406 W C -1.983 174.571 176.519 0.059 0.000 1.191 406 W CA -0.530 56.883 57.345 0.114 0.000 1.170 406 W CB 0.847 30.409 29.460 0.170 0.000 1.438 406 W HN 0.754 nan 8.180 nan 0.000 0.567 407 D N 1.725 122.297 120.400 0.287 0.000 2.280 407 D HA 0.331 4.968 4.640 -0.005 0.000 0.236 407 D C -1.638 174.817 176.300 0.258 0.000 1.082 407 D CA -2.039 52.047 54.000 0.143 0.000 0.834 407 D CB 2.381 43.246 40.800 0.107 0.000 1.100 407 D HN 0.068 nan 8.370 nan 0.000 0.486 408 P HA -0.081 nan 4.420 nan 0.000 0.221 408 P C 0.928 178.300 177.300 0.120 0.000 1.145 408 P CA 0.878 64.088 63.100 0.183 0.000 0.795 408 P CB 0.272 32.016 31.700 0.075 0.000 0.775 409 A N -0.412 122.459 122.820 0.085 0.000 2.015 409 A HA -0.134 4.183 4.320 -0.005 0.000 0.219 409 A C 1.986 179.606 177.584 0.060 0.000 1.163 409 A CA 2.033 54.105 52.037 0.057 0.000 0.646 409 A CB -1.699 17.326 19.000 0.042 0.000 0.806 409 A HN 0.339 nan 8.150 nan 0.000 0.448 410 T N -2.029 112.578 114.554 0.088 0.000 3.188 410 T HA 0.209 4.556 4.350 -0.005 0.000 0.250 410 T C 0.700 175.426 174.700 0.043 0.000 1.077 410 T CA 0.606 62.746 62.100 0.068 0.000 0.967 410 T CB -0.895 68.022 68.868 0.083 0.000 1.006 410 T HN 0.511 nan 8.240 nan 0.000 0.552 411 T N -0.302 114.276 114.554 0.041 0.000 2.922 411 T HA 0.731 5.078 4.350 -0.005 0.000 0.281 411 T C -0.955 173.729 174.700 -0.025 0.000 1.005 411 T CA -0.986 61.102 62.100 -0.020 0.000 0.982 411 T CB 2.017 70.868 68.868 -0.028 0.000 1.158 411 T HN 0.369 nan 8.240 nan 0.000 0.566 412 K N -0.218 120.147 120.400 -0.058 0.000 2.561 412 K HA 0.622 4.939 4.320 -0.005 0.000 0.254 412 K C -1.085 175.481 176.600 -0.057 0.000 0.942 412 K CA -0.781 55.480 56.287 -0.044 0.000 0.818 412 K CB 1.444 33.924 32.500 -0.033 0.000 1.306 412 K HN 0.932 nan 8.250 nan 0.000 0.435 413 A N 2.389 125.185 122.820 -0.040 0.000 2.477 413 A HA 0.574 4.891 4.320 -0.005 0.000 0.246 413 A C -0.324 177.238 177.584 -0.036 0.000 1.078 413 A CA -0.253 51.759 52.037 -0.041 0.000 0.770 413 A CB 0.471 19.456 19.000 -0.026 0.000 1.011 413 A HN 0.565 nan 8.150 nan 0.000 0.494 414 V N 0.000 119.890 119.914 -0.040 0.000 2.409 414 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 414 V CA 0.000 62.282 62.300 -0.030 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