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 1c8j_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 RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENACPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.497 175.510 -0.022 0.000 1.280 10 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 10 N CB 0.000 38.472 38.487 -0.024 0.000 1.341 11 L N 2.132 123.343 121.223 -0.021 0.000 2.295 11 L HA 0.803 5.141 4.340 -0.005 0.000 0.285 11 L C 0.401 177.273 176.870 0.004 0.000 1.035 11 L CA -0.966 53.863 54.840 -0.019 0.000 0.806 11 L CB 0.891 42.935 42.059 -0.024 0.000 1.214 11 L HN 0.657 nan 8.230 nan 0.000 0.426 12 A N 5.959 128.790 122.820 0.017 0.000 2.371 12 A HA 0.670 4.987 4.320 -0.005 0.000 0.257 12 A C -2.185 175.435 177.584 0.059 0.000 1.089 12 A CA -1.023 51.041 52.037 0.045 0.000 0.794 12 A CB -0.474 18.568 19.000 0.069 0.000 1.029 12 A HN 0.556 nan 8.150 nan 0.000 0.488 13 P HA 0.107 nan 4.420 nan 0.000 0.268 13 P C -0.367 176.951 177.300 0.029 0.000 1.205 13 P CA -0.338 62.779 63.100 0.029 0.000 0.771 13 P CB 0.400 32.108 31.700 0.014 0.000 0.858 14 L N 5.985 127.198 121.223 -0.017 0.000 2.615 14 L HA 0.142 4.479 4.340 -0.005 0.000 0.271 14 L C -2.054 174.695 176.870 -0.201 0.000 1.183 14 L CA -1.163 53.605 54.840 -0.120 0.000 0.933 14 L CB -1.059 40.910 42.059 -0.150 0.000 1.199 14 L HN 0.285 nan 8.230 nan 0.000 0.487 15 P HA 0.116 nan 4.420 nan 0.000 0.268 15 P C -2.139 174.987 177.300 -0.290 0.000 1.208 15 P CA -0.884 62.053 63.100 -0.272 0.000 0.777 15 P CB 0.121 31.582 31.700 -0.397 0.000 0.875 16 P HA -0.186 nan 4.420 nan 0.000 0.218 16 P C 1.169 178.438 177.300 -0.052 0.000 1.148 16 P CA 1.408 64.474 63.100 -0.058 0.000 0.822 16 P CB -0.354 31.354 31.700 0.013 0.000 0.784 17 H N -2.258 116.740 119.070 -0.121 0.000 2.548 17 H HA 0.113 4.666 4.556 -0.005 0.000 0.268 17 H C 0.085 175.353 175.328 -0.101 0.000 0.975 17 H CA 0.278 56.281 56.048 -0.076 0.000 1.195 17 H CB -0.695 29.053 29.762 -0.024 0.000 1.397 17 H HN -0.087 nan 8.280 nan 0.000 0.572 18 V N 4.411 123.901 119.914 -0.707 0.000 2.408 18 V HA 0.182 4.299 4.120 -0.005 0.000 0.267 18 V C -2.083 173.787 176.094 -0.374 0.000 1.047 18 V CA -1.607 60.280 62.300 -0.688 0.000 0.937 18 V CB 1.139 32.120 31.823 -1.403 0.000 0.999 18 V HN 0.184 nan 8.190 nan 0.000 0.472 19 P HA 0.120 nan 4.420 nan 0.000 0.264 19 P C 0.468 177.617 177.300 -0.252 0.000 1.193 19 P CA -0.013 62.983 63.100 -0.174 0.000 0.763 19 P CB 0.772 32.356 31.700 -0.194 0.000 0.810 20 E N 1.658 121.784 120.200 -0.125 0.000 2.118 20 E HA -0.241 4.106 4.350 -0.005 0.000 0.195 20 E C 1.736 178.308 176.600 -0.047 0.000 0.992 20 E CA 1.414 57.771 56.400 -0.073 0.000 0.804 20 E CB -0.585 29.114 29.700 -0.002 0.000 0.741 20 E HN 0.635 nan 8.360 nan 0.000 0.458 21 H N -0.249 118.838 119.070 0.028 0.000 2.524 21 H HA 0.016 4.570 4.556 -0.003 0.000 0.282 21 H C 1.441 176.822 175.328 0.088 0.000 1.016 21 H CA 0.705 56.783 56.048 0.050 0.000 1.270 21 H CB -0.242 29.546 29.762 0.043 0.000 1.394 21 H HN 0.201 nan 8.280 nan 0.000 0.568 22 L N 1.663 122.658 121.223 -0.379 0.000 2.612 22 L HA 0.148 4.485 4.340 -0.005 0.000 0.230 22 L C 0.177 177.097 176.870 0.083 0.000 1.140 22 L CA -0.278 54.510 54.840 -0.085 0.000 0.896 22 L CB 0.445 42.481 42.059 -0.037 0.000 1.065 22 L HN -0.011 nan 8.230 nan 0.000 0.447 23 V N 0.544 120.492 119.914 0.058 0.000 2.488 23 V HA 0.087 4.205 4.120 -0.005 0.000 0.277 23 V C -0.534 175.665 176.094 0.175 0.000 1.046 23 V CA 0.091 62.462 62.300 0.119 0.000 0.986 23 V CB 1.107 32.966 31.823 0.060 0.000 0.989 23 V HN 0.104 nan 8.190 nan 0.000 0.475 24 F N 3.745 123.706 119.950 0.018 0.000 3.034 24 F HA 0.383 4.907 4.527 -0.006 0.000 0.371 24 F C 0.128 175.919 175.800 -0.015 0.000 1.233 24 F CA -0.779 57.227 58.000 0.010 0.000 1.134 24 F CB 1.193 40.203 39.000 0.018 0.000 1.495 24 F HN 0.506 nan 8.300 nan 0.000 0.563 25 D N 6.277 126.595 120.400 -0.137 0.000 2.598 25 D HA -0.038 4.600 4.640 -0.005 0.000 0.231 25 D C -0.276 175.994 176.300 -0.050 0.000 1.127 25 D CA 0.629 54.566 54.000 -0.105 0.000 1.126 25 D CB -0.280 40.428 40.800 -0.153 0.000 1.124 25 D HN 0.266 nan 8.370 nan 0.000 0.485 26 F N 1.737 121.677 119.950 -0.017 0.000 2.396 26 F HA 0.150 4.674 4.527 -0.005 0.000 0.343 26 F C 0.396 176.095 175.800 -0.167 0.000 1.104 26 F CA -0.756 57.222 58.000 -0.038 0.000 1.161 26 F CB 0.994 40.005 39.000 0.018 0.000 1.146 26 F HN -0.109 nan 8.300 nan 0.000 0.522 27 D N 7.028 126.894 120.400 -0.891 0.000 2.460 27 D HA 0.115 4.753 4.640 -0.005 0.000 0.232 27 D C 0.878 176.656 176.300 -0.870 0.000 1.079 27 D CA -0.485 53.163 54.000 -0.588 0.000 0.864 27 D CB 0.873 41.453 40.800 -0.367 0.000 1.048 27 D HN 0.734 nan 8.370 nan 0.000 0.523 28 M N 1.655 120.915 119.600 -0.567 0.000 2.435 28 M HA -0.122 4.355 4.480 -0.005 0.000 0.262 28 M C 0.256 176.323 176.300 -0.388 0.000 1.065 28 M CA 1.319 56.321 55.300 -0.497 0.000 1.076 28 M CB -0.323 32.140 32.600 -0.228 0.000 1.403 28 M HN 0.230 nan 8.290 nan 0.000 0.454 29 Y N 0.509 120.743 120.300 -0.110 0.000 2.462 29 Y HA 0.271 4.818 4.550 -0.005 0.000 0.261 29 Y C 0.548 176.415 175.900 -0.056 0.000 1.146 29 Y CA -0.068 58.015 58.100 -0.028 0.000 1.283 29 Y CB 0.491 38.940 38.460 -0.017 0.000 1.090 29 Y HN 0.467 nan 8.280 nan 0.000 0.526 30 N N 0.844 119.510 118.700 -0.057 0.000 2.884 30 N HA 0.091 4.828 4.740 -0.005 0.000 0.211 30 N C -3.276 172.093 175.510 -0.235 0.000 1.442 30 N CA -1.066 51.939 53.050 -0.075 0.000 0.757 30 N CB 0.894 39.362 38.487 -0.031 0.000 1.461 30 N HN -0.188 nan 8.380 nan 0.000 0.557 31 P HA 0.125 nan 4.420 nan 0.000 0.271 31 P C 0.657 177.830 177.300 -0.211 0.000 1.218 31 P CA -0.024 62.772 63.100 -0.508 0.000 0.780 31 P CB 1.427 32.758 31.700 -0.613 0.000 0.901 32 S N 1.552 117.140 115.700 -0.186 0.000 2.380 32 S HA -0.221 4.246 4.470 -0.005 0.000 0.229 32 S C 1.406 175.996 174.600 -0.017 0.000 1.043 32 S CA 1.987 60.138 58.200 -0.082 0.000 1.038 32 S CB -0.799 62.361 63.200 -0.068 0.000 0.872 32 S HN 0.661 nan 8.310 nan 0.000 0.456 33 N N 0.815 119.530 118.700 0.026 0.000 2.327 33 N HA 0.154 4.891 4.740 -0.005 0.000 0.231 33 N C 0.965 176.523 175.510 0.080 0.000 1.130 33 N CA -0.145 52.940 53.050 0.058 0.000 0.845 33 N CB -0.229 38.310 38.487 0.087 0.000 1.073 33 N HN 0.169 nan 8.380 nan 0.000 0.496 34 L N 0.500 121.763 121.223 0.067 0.000 2.043 34 L HA -0.200 4.138 4.340 -0.005 0.000 0.212 34 L C 2.188 179.115 176.870 0.095 0.000 1.075 34 L CA 2.241 57.147 54.840 0.111 0.000 0.752 34 L CB -1.243 40.871 42.059 0.093 0.000 0.891 34 L HN 0.400 nan 8.230 nan 0.000 0.432 35 S N -0.443 115.289 115.700 0.053 0.000 2.423 35 S HA -0.208 4.260 4.470 -0.005 0.000 0.238 35 S C 1.855 176.462 174.600 0.011 0.000 1.028 35 S CA 0.970 59.183 58.200 0.023 0.000 1.000 35 S CB -1.137 62.073 63.200 0.017 0.000 0.797 35 S HN 0.565 nan 8.310 nan 0.000 0.487 36 A N 1.120 123.965 122.820 0.041 0.000 2.276 36 A HA 0.574 4.891 4.320 -0.005 0.000 0.212 36 A C 1.120 178.743 177.584 0.065 0.000 1.230 36 A CA 0.265 52.329 52.037 0.046 0.000 0.844 36 A CB -1.122 17.917 19.000 0.064 0.000 0.860 36 A HN 1.700 nan 8.150 nan 0.000 0.486 37 G N -1.877 106.958 108.800 0.058 0.000 2.770 37 G HA2 0.058 4.015 3.960 -0.005 0.000 0.686 37 G HA3 0.058 4.015 3.960 -0.005 0.000 0.686 37 G C 0.433 175.568 174.900 0.393 0.000 1.180 37 G CA -0.147 45.060 45.100 0.178 0.000 0.767 37 G HN 1.146 nan 8.290 nan 0.000 0.646 38 V N -0.307 120.007 119.914 0.667 0.000 2.343 38 V HA -0.180 3.938 4.120 -0.005 0.000 0.247 38 V C 2.668 178.986 176.094 0.373 0.000 1.051 38 V CA 2.682 65.263 62.300 0.468 0.000 1.036 38 V CB -1.063 30.987 31.823 0.379 0.000 0.654 38 V HN 0.749 nan 8.190 nan 0.000 0.451 39 Q N 0.846 120.747 119.800 0.167 0.000 2.030 39 Q HA -0.194 4.144 4.340 -0.005 0.000 0.204 39 Q C 2.214 178.310 176.000 0.159 0.000 0.986 39 Q CA 2.287 58.124 55.803 0.056 0.000 0.843 39 Q CB -0.609 28.082 28.738 -0.079 0.000 0.904 39 Q HN 0.757 nan 8.270 nan 0.000 0.420 40 E N 0.255 120.555 120.200 0.168 0.000 2.118 40 E HA -0.190 4.157 4.350 -0.005 0.000 0.195 40 E C 1.808 178.521 176.600 0.189 0.000 0.992 40 E CA 1.300 57.788 56.400 0.146 0.000 0.804 40 E CB -0.403 29.375 29.700 0.130 0.000 0.741 40 E HN 0.422 nan 8.360 nan 0.000 0.458 41 A N -0.102 122.873 122.820 0.260 0.000 1.902 41 A HA -0.170 4.147 4.320 -0.005 0.000 0.217 41 A C 1.705 179.488 177.584 0.333 0.000 1.181 41 A CA 1.360 53.560 52.037 0.273 0.000 0.623 41 A CB -0.902 18.265 19.000 0.277 0.000 0.818 41 A HN 0.375 nan 8.150 nan 0.000 0.443 42 W N -0.532 120.869 121.300 0.170 0.000 2.518 42 W HA 0.235 4.892 4.660 -0.005 0.000 0.273 42 W C 2.555 179.014 176.519 -0.101 0.000 1.247 42 W CA 0.688 58.051 57.345 0.031 0.000 1.288 42 W CB -0.259 29.174 29.460 -0.044 0.000 1.107 42 W HN 0.356 nan 8.180 nan 0.000 0.586 43 A N 0.484 123.406 122.820 0.171 0.000 2.121 43 A HA -0.100 4.217 4.320 -0.005 0.000 0.218 43 A C 2.020 179.617 177.584 0.022 0.000 1.154 43 A CA 1.689 53.759 52.037 0.054 0.000 0.679 43 A CB -1.175 17.851 19.000 0.044 0.000 0.795 43 A HN 0.253 nan 8.150 nan 0.000 0.458 44 V N -2.081 117.875 119.914 0.070 0.000 2.688 44 V HA -0.179 3.938 4.120 -0.005 0.000 0.256 44 V C 1.928 177.989 176.094 -0.055 0.000 1.084 44 V CA 1.957 64.307 62.300 0.084 0.000 1.103 44 V CB -0.911 31.043 31.823 0.219 0.000 0.688 44 V HN 0.449 nan 8.190 nan 0.000 0.480 45 L N -0.276 120.809 121.223 -0.231 0.000 2.551 45 L HA 0.015 4.352 4.340 -0.005 0.000 0.228 45 L C 2.333 179.018 176.870 -0.309 0.000 1.153 45 L CA 1.130 55.674 54.840 -0.492 0.000 0.851 45 L CB -0.404 41.316 42.059 -0.564 0.000 0.959 45 L HN 0.425 nan 8.230 nan 0.000 0.451 46 Q N -0.809 118.890 119.800 -0.167 0.000 2.175 46 Q HA 0.104 4.441 4.340 -0.005 0.000 0.225 46 Q C 0.026 175.984 176.000 -0.069 0.000 0.837 46 Q CA -0.264 55.470 55.803 -0.115 0.000 1.032 46 Q CB 0.680 29.367 28.738 -0.085 0.000 1.137 46 Q HN 0.253 nan 8.270 nan 0.000 0.483 47 E N 0.244 120.410 120.200 -0.057 0.000 2.425 47 E HA -0.024 4.324 4.350 -0.005 0.000 0.258 47 E C 0.903 177.499 176.600 -0.007 0.000 1.151 47 E CA 0.197 56.594 56.400 -0.004 0.000 0.958 47 E CB 0.731 30.459 29.700 0.046 0.000 0.968 47 E HN 0.012 nan 8.360 nan 0.000 0.451 48 S N 1.115 116.821 115.700 0.010 0.000 2.400 48 S HA -0.175 4.292 4.470 -0.005 0.000 0.232 48 S C 0.636 175.244 174.600 0.013 0.000 1.025 48 S CA 1.894 60.098 58.200 0.007 0.000 0.993 48 S CB -0.276 62.931 63.200 0.012 0.000 0.808 48 S HN 0.520 nan 8.310 nan 0.000 0.478 49 N N 0.159 118.879 118.700 0.033 0.000 2.251 49 N HA 0.228 4.965 4.740 -0.005 0.000 0.217 49 N C -1.098 174.444 175.510 0.053 0.000 1.124 49 N CA -0.144 52.933 53.050 0.045 0.000 0.843 49 N CB 1.188 39.712 38.487 0.063 0.000 1.024 49 N HN 0.115 nan 8.380 nan 0.000 0.501 50 V N 1.809 121.728 119.914 0.010 0.000 2.439 50 V HA 0.386 4.503 4.120 -0.005 0.000 0.282 50 V C -1.811 174.256 176.094 -0.045 0.000 1.039 50 V CA -1.679 60.598 62.300 -0.039 0.000 0.913 50 V CB 1.252 32.956 31.823 -0.198 0.000 0.983 50 V HN 0.050 nan 8.190 nan 0.000 0.460 51 P HA 0.287 nan 4.420 nan 0.000 0.275 51 P C 0.162 177.433 177.300 -0.047 0.000 1.266 51 P CA -0.461 62.637 63.100 -0.003 0.000 0.793 51 P CB 0.700 32.435 31.700 0.058 0.000 1.074 52 D N -0.928 119.444 120.400 -0.047 0.000 2.219 52 D HA -0.009 4.628 4.640 -0.005 0.000 0.205 52 D C 0.276 176.534 176.300 -0.069 0.000 0.970 52 D CA 1.347 55.293 54.000 -0.089 0.000 0.851 52 D CB -0.147 40.576 40.800 -0.129 0.000 0.943 52 D HN 0.037 nan 8.370 nan 0.000 0.488 53 L N 0.656 121.878 121.223 -0.002 0.000 2.439 53 L HA 0.355 4.692 4.340 -0.005 0.000 0.270 53 L C -0.848 176.145 176.870 0.206 0.000 0.972 53 L CA -1.021 53.869 54.840 0.085 0.000 0.836 53 L CB 1.875 43.966 42.059 0.053 0.000 1.255 53 L HN -0.150 nan 8.230 nan 0.000 0.404 54 V N 1.355 121.425 119.914 0.260 0.000 3.074 54 V HA 0.696 4.813 4.120 -0.005 0.000 0.314 54 V C -1.406 174.930 176.094 0.403 0.000 1.117 54 V CA -0.799 61.673 62.300 0.287 0.000 1.014 54 V CB 2.199 34.089 31.823 0.110 0.000 1.057 54 V HN 0.908 nan 8.190 nan 0.000 0.438 55 W N 1.802 123.115 121.300 0.021 0.000 2.600 55 W HA 0.653 5.311 4.660 -0.003 0.000 0.325 55 W C -0.981 175.411 176.519 -0.213 0.000 1.034 55 W CA -0.258 56.928 57.345 -0.264 0.000 1.226 55 W CB 1.985 31.030 29.460 -0.692 0.000 1.379 55 W HN 0.850 nan 8.180 nan 0.000 0.466 56 T N 5.138 119.257 114.554 -0.725 0.000 2.867 56 T HA 0.382 4.730 4.350 -0.005 0.000 0.282 56 T C 1.044 175.267 174.700 -0.794 0.000 1.000 56 T CA -0.351 61.401 62.100 -0.580 0.000 1.042 56 T CB 1.130 69.691 68.868 -0.512 0.000 0.973 56 T HN 0.615 nan 8.240 nan 0.000 0.465 57 R N 1.784 122.101 120.500 -0.306 0.000 2.300 57 R HA 0.204 4.541 4.340 -0.005 0.000 0.199 57 R C 0.659 176.866 176.300 -0.154 0.000 0.920 57 R CA -0.185 55.827 56.100 -0.146 0.000 1.046 57 R CB -0.154 30.148 30.300 0.003 0.000 0.984 57 R HN 0.528 nan 8.270 nan 0.000 0.493 58 C N 1.469 120.650 119.300 -0.198 0.000 2.649 58 C HA 0.081 4.538 4.460 -0.005 0.000 0.377 58 C C 0.903 175.857 174.990 -0.060 0.000 1.321 58 C CA -0.311 58.638 59.018 -0.116 0.000 2.368 58 C CB -0.111 27.554 27.740 -0.124 0.000 2.597 58 C HN 0.681 nan 8.230 nan 0.000 0.678 59 N N 0.453 119.168 118.700 0.025 0.000 2.716 59 N HA -0.157 4.580 4.740 -0.005 0.000 0.250 59 N C 0.731 176.294 175.510 0.088 0.000 1.033 59 N CA 0.793 53.903 53.050 0.100 0.000 0.727 59 N CB -1.186 37.425 38.487 0.206 0.000 0.950 59 N HN 1.362 nan 8.380 nan 0.000 0.541 60 G N -1.821 107.004 108.800 0.042 0.000 2.225 60 G HA2 0.074 4.031 3.960 -0.005 0.000 0.254 60 G HA3 0.074 4.031 3.960 -0.005 0.000 0.254 60 G C 0.555 175.471 174.900 0.027 0.000 0.988 60 G CA 0.323 45.454 45.100 0.050 0.000 0.625 60 G HN 1.636 nan 8.290 nan 0.000 0.527 61 G N -0.798 107.936 108.800 -0.110 0.000 3.039 61 G HA2 0.562 4.519 3.960 -0.005 0.000 0.686 61 G HA3 0.562 4.519 3.960 -0.005 0.000 0.686 61 G C -0.493 173.902 174.900 -0.840 0.000 1.066 61 G CA 0.679 45.521 45.100 -0.429 0.000 0.774 61 G HN 2.950 nan 8.290 nan 0.000 0.591 62 H N -1.791 116.148 119.070 -1.886 0.000 2.951 62 H HA 0.602 5.156 4.556 -0.004 0.000 0.292 62 H C -0.735 173.891 175.328 -1.170 0.000 1.412 62 H CA -1.543 53.667 56.048 -1.397 0.000 1.206 62 H CB -0.055 29.423 29.762 -0.473 0.000 1.862 62 H HN 0.717 nan 8.280 nan 0.000 0.502 63 W N 0.837 122.073 121.300 -0.107 0.000 2.183 63 W HA 0.651 5.307 4.660 -0.006 0.000 0.348 63 W C -0.232 176.356 176.519 0.115 0.000 1.257 63 W CA -0.587 56.834 57.345 0.126 0.000 1.324 63 W CB 0.881 30.517 29.460 0.292 0.000 1.144 63 W HN 0.462 nan 8.180 nan 0.000 0.622 64 I N 2.257 123.023 120.570 0.327 0.000 2.548 64 I HA 0.371 4.538 4.170 -0.005 0.000 0.287 64 I C -0.394 175.781 176.117 0.096 0.000 1.103 64 I CA -1.158 60.237 61.300 0.158 0.000 1.049 64 I CB 1.506 39.520 38.000 0.023 0.000 1.232 64 I HN 0.439 nan 8.210 nan 0.000 0.429 65 A N 3.183 126.022 122.820 0.032 0.000 2.320 65 A HA 0.517 4.834 4.320 -0.005 0.000 0.287 65 A C 0.914 178.456 177.584 -0.070 0.000 1.181 65 A CA -0.129 51.894 52.037 -0.025 0.000 0.831 65 A CB 0.350 19.309 19.000 -0.069 0.000 1.102 65 A HN 0.861 nan 8.150 nan 0.000 0.513 66 T N -0.153 114.340 114.554 -0.102 0.000 3.022 66 T HA 0.210 4.557 4.350 -0.005 0.000 0.250 66 T C 0.645 175.272 174.700 -0.121 0.000 1.060 66 T CA 0.024 62.041 62.100 -0.137 0.000 1.013 66 T CB 0.053 68.804 68.868 -0.195 0.000 0.982 66 T HN 0.529 nan 8.240 nan 0.000 0.508 67 R N 0.319 120.748 120.500 -0.118 0.000 2.711 67 R HA 0.580 4.917 4.340 -0.005 0.000 0.284 67 R C 1.554 177.789 176.300 -0.109 0.000 0.968 67 R CA -0.250 55.782 56.100 -0.112 0.000 0.924 67 R CB 1.138 31.367 30.300 -0.118 0.000 1.162 67 R HN 0.222 nan 8.270 nan 0.000 0.465 68 G N 1.063 109.806 108.800 -0.095 0.000 2.469 68 G HA2 -0.344 3.614 3.960 -0.005 0.000 0.219 68 G HA3 -0.344 3.614 3.960 -0.005 0.000 0.219 68 G C 1.080 175.918 174.900 -0.103 0.000 1.150 68 G CA 0.840 45.884 45.100 -0.094 0.000 0.763 68 G HN 0.656 nan 8.290 nan 0.000 0.561 69 Q N -0.547 119.192 119.800 -0.102 0.000 2.061 69 Q HA -0.123 4.214 4.340 -0.005 0.000 0.204 69 Q C 2.560 178.489 176.000 -0.118 0.000 0.984 69 Q CA 1.355 57.101 55.803 -0.094 0.000 0.846 69 Q CB -0.192 28.494 28.738 -0.085 0.000 0.902 69 Q HN 0.421 nan 8.270 nan 0.000 0.421 70 L N 0.302 121.404 121.223 -0.202 0.000 2.056 70 L HA -0.155 4.183 4.340 -0.005 0.000 0.207 70 L C 2.279 179.102 176.870 -0.078 0.000 1.078 70 L CA 1.300 56.008 54.840 -0.221 0.000 0.749 70 L CB -0.376 41.502 42.059 -0.301 0.000 0.901 70 L HN 0.283 nan 8.230 nan 0.000 0.433 71 I N -1.203 119.305 120.570 -0.103 0.000 2.179 71 I HA -0.299 3.868 4.170 -0.005 0.000 0.242 71 I C 2.646 178.757 176.117 -0.010 0.000 1.088 71 I CA 1.160 62.402 61.300 -0.097 0.000 1.357 71 I CB -0.347 37.637 38.000 -0.027 0.000 1.051 71 I HN 0.196 nan 8.210 nan 0.000 0.409 72 R N 0.379 120.859 120.500 -0.033 0.000 2.075 72 R HA -0.198 4.139 4.340 -0.005 0.000 0.232 72 R C 2.209 178.589 176.300 0.133 0.000 1.126 72 R CA 1.515 57.575 56.100 -0.066 0.000 0.963 72 R CB -0.373 29.740 30.300 -0.311 0.000 0.858 72 R HN 0.472 nan 8.270 nan 0.000 0.435 73 E N 0.585 120.842 120.200 0.096 0.000 2.051 73 E HA -0.163 4.185 4.350 -0.005 0.000 0.192 73 E C 1.934 178.610 176.600 0.126 0.000 0.991 73 E CA 1.177 57.690 56.400 0.189 0.000 0.799 73 E CB -0.025 29.840 29.700 0.276 0.000 0.748 73 E HN 0.310 nan 8.360 nan 0.000 0.449 74 A N 0.218 122.958 122.820 -0.134 0.000 1.883 74 A HA -0.200 4.117 4.320 -0.005 0.000 0.217 74 A C 1.950 179.378 177.584 -0.259 0.000 1.186 74 A CA 1.534 53.160 52.037 -0.685 0.000 0.624 74 A CB -1.033 17.271 19.000 -1.161 0.000 0.822 74 A HN 0.446 nan 8.150 nan 0.000 0.444 75 Y N 0.417 120.726 120.300 0.015 0.000 2.333 75 Y HA -0.134 4.414 4.550 -0.004 0.000 0.290 75 Y C 2.387 178.426 175.900 0.231 0.000 1.144 75 Y CA 1.435 59.626 58.100 0.152 0.000 1.228 75 Y CB -0.321 38.267 38.460 0.213 0.000 0.985 75 Y HN 0.505 nan 8.280 nan 0.000 0.542 76 E N -0.885 119.541 120.200 0.376 0.000 2.112 76 E HA -0.124 4.223 4.350 -0.005 0.000 0.190 76 E C 0.466 177.210 176.600 0.240 0.000 0.979 76 E CA 0.812 57.393 56.400 0.302 0.000 0.814 76 E CB 0.041 29.902 29.700 0.267 0.000 0.762 76 E HN 0.132 nan 8.360 nan 0.000 0.460 77 D N 0.304 120.837 120.400 0.222 0.000 2.563 77 D HA -0.027 4.610 4.640 -0.005 0.000 0.222 77 D C 0.411 176.801 176.300 0.150 0.000 1.145 77 D CA -0.354 53.723 54.000 0.127 0.000 1.001 77 D CB -0.134 40.838 40.800 0.287 0.000 1.049 77 D HN 0.182 nan 8.370 nan 0.000 0.515 78 Y N 1.073 121.462 120.300 0.147 0.000 2.509 78 Y HA 0.083 4.631 4.550 -0.004 0.000 0.293 78 Y C 1.808 177.695 175.900 -0.021 0.000 1.133 78 Y CA 0.150 58.317 58.100 0.111 0.000 1.283 78 Y CB -0.380 38.156 38.460 0.126 0.000 1.001 78 Y HN 0.018 nan 8.280 nan 0.000 0.555 79 R N 0.210 120.479 120.500 -0.385 0.000 2.096 79 R HA -0.095 4.242 4.340 -0.005 0.000 0.235 79 R C 1.560 177.538 176.300 -0.538 0.000 1.127 79 R CA 2.157 58.012 56.100 -0.410 0.000 0.968 79 R CB -0.695 29.257 30.300 -0.580 0.000 0.861 79 R HN 0.627 nan 8.270 nan 0.000 0.440 80 H N -2.850 115.956 119.070 -0.439 0.000 2.516 80 H HA 0.217 4.770 4.556 -0.004 0.000 0.284 80 H C -0.380 174.395 175.328 -0.921 0.000 0.999 80 H CA 0.275 55.832 56.048 -0.818 0.000 1.303 80 H CB 0.428 29.308 29.762 -1.469 0.000 1.452 80 H HN -0.029 nan 8.280 nan 0.000 0.530 81 F N 1.002 120.925 119.950 -0.044 0.000 2.359 81 F HA 0.311 4.834 4.527 -0.005 0.000 0.370 81 F C 0.206 176.026 175.800 0.034 0.000 1.077 81 F CA -0.760 57.216 58.000 -0.039 0.000 1.136 81 F CB 1.204 40.135 39.000 -0.115 0.000 1.387 81 F HN -0.111 nan 8.300 nan 0.000 0.468 82 S N 0.882 116.650 115.700 0.113 0.000 2.610 82 S HA 0.283 4.750 4.470 -0.005 0.000 0.273 82 S C 1.125 175.790 174.600 0.108 0.000 1.274 82 S CA -0.432 57.841 58.200 0.122 0.000 1.023 82 S CB 1.306 64.547 63.200 0.069 0.000 0.962 82 S HN 0.494 nan 8.310 nan 0.000 0.523 83 S N 2.411 118.174 115.700 0.106 0.000 2.562 83 S HA 0.046 4.513 4.470 -0.005 0.000 0.221 83 S C 1.669 176.284 174.600 0.025 0.000 0.975 83 S CA -0.175 58.041 58.200 0.027 0.000 0.918 83 S CB -0.204 62.981 63.200 -0.024 0.000 0.772 83 S HN 0.757 nan 8.310 nan 0.000 0.531 84 E N 0.574 120.809 120.200 0.058 0.000 2.097 84 E HA -0.179 4.169 4.350 -0.005 0.000 0.196 84 E C 0.456 177.076 176.600 0.033 0.000 1.000 84 E CA 0.819 57.254 56.400 0.058 0.000 0.804 84 E CB -0.028 29.705 29.700 0.055 0.000 0.740 84 E HN 0.390 nan 8.360 nan 0.000 0.454 85 C N 2.091 121.396 119.300 0.008 0.000 2.647 85 C HA 0.387 4.844 4.460 -0.005 0.000 0.273 85 C C -1.936 173.020 174.990 -0.057 0.000 1.088 85 C CA -1.433 57.574 59.018 -0.020 0.000 1.529 85 C CB 0.631 28.384 27.740 0.021 0.000 1.810 85 C HN 0.187 nan 8.230 nan 0.000 0.422 86 P HA 0.178 nan 4.420 nan 0.000 0.267 86 P C -0.305 177.043 177.300 0.080 0.000 1.289 86 P CA 0.397 63.425 63.100 -0.119 0.000 0.866 86 P CB 0.310 31.852 31.700 -0.263 0.000 1.309 87 W N 0.396 121.438 121.300 -0.430 0.000 2.706 87 W HA 0.543 5.200 4.660 -0.005 0.000 0.346 87 W C -0.023 176.364 176.519 -0.220 0.000 1.071 87 W CA -0.748 56.389 57.345 -0.347 0.000 1.206 87 W CB 0.931 30.107 29.460 -0.473 0.000 1.413 87 W HN -0.324 nan 8.180 nan 0.000 0.542 88 I N 4.597 125.164 120.570 -0.005 0.000 2.569 88 I HA 0.329 4.496 4.170 -0.005 0.000 0.296 88 I C -1.671 174.539 176.117 0.154 0.000 1.028 88 I CA -2.231 59.052 61.300 -0.028 0.000 1.082 88 I CB 2.225 40.056 38.000 -0.283 0.000 1.264 88 I HN 0.067 nan 8.210 nan 0.000 0.429 89 P HA 0.068 nan 4.420 nan 0.000 0.272 89 P C 0.337 177.678 177.300 0.067 0.000 1.254 89 P CA -0.269 62.889 63.100 0.097 0.000 0.795 89 P CB 0.913 32.673 31.700 0.101 0.000 1.022 90 R N 0.182 120.718 120.500 0.061 0.000 2.105 90 R HA -0.200 4.138 4.340 -0.005 0.000 0.239 90 R C 1.915 178.252 176.300 0.062 0.000 1.135 90 R CA 1.882 58.017 56.100 0.058 0.000 0.967 90 R CB -0.311 30.032 30.300 0.072 0.000 0.861 90 R HN 0.399 nan 8.270 nan 0.000 0.442 91 E N 0.338 120.583 120.200 0.074 0.000 2.038 91 E HA -0.191 4.156 4.350 -0.005 0.000 0.195 91 E C 1.870 178.534 176.600 0.106 0.000 1.000 91 E CA 1.768 58.221 56.400 0.088 0.000 0.803 91 E CB -0.359 29.400 29.700 0.097 0.000 0.750 91 E HN 0.474 nan 8.360 nan 0.000 0.448 92 A N 0.503 123.383 122.820 0.100 0.000 1.902 92 A HA -0.062 4.255 4.320 -0.005 0.000 0.217 92 A C 2.454 179.913 177.584 -0.208 0.000 1.181 92 A CA 1.800 53.850 52.037 0.022 0.000 0.623 92 A CB -1.180 17.844 19.000 0.040 0.000 0.818 92 A HN 0.352 nan 8.150 nan 0.000 0.443 93 G N -0.813 107.939 108.800 -0.079 0.000 2.448 93 G HA2 -0.116 3.841 3.960 -0.005 0.000 0.218 93 G HA3 -0.116 3.841 3.960 -0.005 0.000 0.218 93 G C 1.402 176.294 174.900 -0.013 0.000 1.135 93 G CA 0.868 45.913 45.100 -0.092 0.000 0.784 93 G HN 0.648 nan 8.290 nan 0.000 0.543 94 E N 0.285 120.503 120.200 0.031 0.000 2.107 94 E HA 0.082 4.429 4.350 -0.005 0.000 0.191 94 E C 2.782 179.430 176.600 0.080 0.000 0.982 94 E CA 0.635 57.069 56.400 0.056 0.000 0.809 94 E CB -0.038 29.698 29.700 0.059 0.000 0.756 94 E HN 0.403 nan 8.360 nan 0.000 0.459 95 A N 0.932 123.823 122.820 0.119 0.000 2.067 95 A HA -0.036 4.281 4.320 -0.005 0.000 0.217 95 A C 0.793 178.499 177.584 0.203 0.000 1.156 95 A CA -0.095 52.043 52.037 0.168 0.000 0.683 95 A CB -0.363 18.803 19.000 0.276 0.000 0.808 95 A HN 0.265 nan 8.150 nan 0.000 0.455 96 F N 2.375 122.301 119.950 -0.039 0.000 2.519 96 F HA 0.198 4.723 4.527 -0.004 0.000 0.375 96 F C 0.476 176.151 175.800 -0.209 0.000 1.084 96 F CA 0.135 58.000 58.000 -0.226 0.000 1.147 96 F CB 0.659 39.275 39.000 -0.640 0.000 1.088 96 F HN 0.338 nan 8.300 nan 0.000 0.555 97 D N 4.643 124.796 120.400 -0.411 0.000 2.582 97 D HA 0.039 4.676 4.640 -0.005 0.000 0.246 97 D C -0.113 176.028 176.300 -0.264 0.000 1.334 97 D CA -0.311 53.572 54.000 -0.196 0.000 0.805 97 D CB -0.850 39.890 40.800 -0.099 0.000 1.087 97 D HN 0.164 nan 8.370 nan 0.000 0.499 98 F N 1.233 120.890 119.950 -0.489 0.000 2.626 98 F HA 0.198 4.722 4.527 -0.005 0.000 0.354 98 F C 1.237 176.964 175.800 -0.121 0.000 1.168 98 F CA 0.000 57.794 58.000 -0.343 0.000 1.368 98 F CB 0.423 39.070 39.000 -0.587 0.000 1.092 98 F HN -0.110 nan 8.300 nan 0.000 0.612 99 I N 4.660 125.314 120.570 0.139 0.000 2.474 99 I HA 0.230 4.397 4.170 -0.005 0.000 0.294 99 I C -1.677 174.492 176.117 0.088 0.000 1.005 99 I CA -1.780 59.527 61.300 0.011 0.000 1.113 99 I CB 2.606 40.459 38.000 -0.244 0.000 1.289 99 I HN 0.370 nan 8.210 nan 0.000 0.436 100 P HA 0.074 nan 4.420 nan 0.000 0.261 100 P C 1.023 178.520 177.300 0.328 0.000 1.268 100 P CA 0.293 63.485 63.100 0.152 0.000 0.833 100 P CB 0.191 31.989 31.700 0.163 0.000 1.231 101 T N 0.445 115.228 114.554 0.382 0.000 2.778 101 T HA -0.131 4.216 4.350 -0.005 0.000 0.269 101 T C 1.786 176.676 174.700 0.317 0.000 1.050 101 T CA 2.188 64.531 62.100 0.405 0.000 1.137 101 T CB -0.662 68.488 68.868 0.471 0.000 0.860 101 T HN 0.336 nan 8.240 nan 0.000 0.468 102 S N -0.117 115.810 115.700 0.379 0.000 2.593 102 S HA 0.300 4.767 4.470 -0.005 0.000 0.217 102 S C 0.507 175.215 174.600 0.181 0.000 0.966 102 S CA -0.307 58.060 58.200 0.278 0.000 0.914 102 S CB -0.420 62.962 63.200 0.302 0.000 0.776 102 S HN 0.367 nan 8.310 nan 0.000 0.523 103 M N 2.080 121.815 119.600 0.224 0.000 2.508 103 M HA 0.510 4.988 4.480 -0.005 0.000 0.327 103 M C -1.072 175.372 176.300 0.240 0.000 1.160 103 M CA -0.639 54.766 55.300 0.174 0.000 0.980 103 M CB 1.605 34.272 32.600 0.112 0.000 1.693 103 M HN 0.033 nan 8.290 nan 0.000 0.452 104 D N 1.855 122.335 120.400 0.133 0.000 2.326 104 D HA 0.501 5.138 4.640 -0.005 0.000 0.248 104 D C -2.513 173.709 176.300 -0.129 0.000 1.001 104 D CA -1.332 52.694 54.000 0.044 0.000 0.961 104 D CB 1.150 41.992 40.800 0.070 0.000 1.183 104 D HN 0.147 nan 8.370 nan 0.000 0.502 105 P HA 0.060 nan 4.420 nan 0.000 0.268 105 P C -1.675 175.508 177.300 -0.194 0.000 1.208 105 P CA -0.647 62.215 63.100 -0.396 0.000 0.777 105 P CB 0.414 31.633 31.700 -0.803 0.000 0.875 106 P HA 0.008 nan 4.420 nan 0.000 0.228 106 P C 0.544 177.827 177.300 -0.029 0.000 1.166 106 P CA 1.023 64.087 63.100 -0.061 0.000 0.812 106 P CB 0.333 32.025 31.700 -0.014 0.000 0.857 107 E N 0.335 120.544 120.200 0.015 0.000 2.409 107 E HA -0.154 4.194 4.350 -0.005 0.000 0.198 107 E C 2.240 178.932 176.600 0.154 0.000 1.024 107 E CA 0.603 57.051 56.400 0.079 0.000 0.861 107 E CB -0.595 29.176 29.700 0.118 0.000 0.788 107 E HN 0.392 nan 8.360 nan 0.000 0.521 108 Q N 0.892 120.738 119.800 0.076 0.000 2.049 108 Q HA -0.169 4.168 4.340 -0.005 0.000 0.198 108 Q C 1.716 177.770 176.000 0.090 0.000 0.971 108 Q CA 1.151 57.016 55.803 0.104 0.000 0.833 108 Q CB 0.083 28.786 28.738 -0.058 0.000 0.896 108 Q HN 0.125 nan 8.270 nan 0.000 0.434 109 R N 1.032 121.517 120.500 -0.024 0.000 2.113 109 R HA -0.242 4.096 4.340 -0.005 0.000 0.244 109 R C 2.473 178.739 176.300 -0.057 0.000 1.142 109 R CA 2.315 58.385 56.100 -0.050 0.000 0.953 109 R CB -0.604 29.653 30.300 -0.070 0.000 0.860 109 R HN 0.571 nan 8.270 nan 0.000 0.438 110 Q N -0.399 119.326 119.800 -0.125 0.000 2.197 110 Q HA -0.212 4.126 4.340 -0.005 0.000 0.207 110 Q C 1.496 177.284 176.000 -0.353 0.000 0.984 110 Q CA 1.802 57.436 55.803 -0.282 0.000 0.869 110 Q CB -0.410 28.070 28.738 -0.431 0.000 0.906 110 Q HN 0.398 nan 8.270 nan 0.000 0.426 111 F N 0.667 120.607 119.950 -0.017 0.000 2.335 111 F HA 0.154 4.678 4.527 -0.005 0.000 0.296 111 F C 2.557 178.354 175.800 -0.004 0.000 1.091 111 F CA 0.430 58.429 58.000 -0.003 0.000 1.399 111 F CB -0.005 39.002 39.000 0.013 0.000 1.067 111 F HN -0.085 nan 8.300 nan 0.000 0.520 112 R N 0.494 121.072 120.500 0.130 0.000 2.083 112 R HA -0.167 4.170 4.340 -0.005 0.000 0.237 112 R C 2.490 178.809 176.300 0.033 0.000 1.137 112 R CA 1.320 57.457 56.100 0.062 0.000 0.951 112 R CB -0.852 29.449 30.300 0.002 0.000 0.851 112 R HN 0.291 nan 8.270 nan 0.000 0.434 113 A N 1.342 124.161 122.820 -0.002 0.000 1.892 113 A HA -0.213 4.105 4.320 -0.005 0.000 0.218 113 A C 2.093 179.676 177.584 -0.002 0.000 1.188 113 A CA 1.411 53.439 52.037 -0.016 0.000 0.631 113 A CB -0.645 18.328 19.000 -0.045 0.000 0.822 113 A HN 0.257 nan 8.150 nan 0.000 0.447 114 L N -0.257 120.967 121.223 0.001 0.000 2.012 114 L HA -0.097 4.240 4.340 -0.005 0.000 0.210 114 L C 2.719 179.618 176.870 0.048 0.000 1.073 114 L CA 2.379 57.232 54.840 0.022 0.000 0.748 114 L CB -0.949 41.135 42.059 0.041 0.000 0.891 114 L HN 0.366 nan 8.230 nan 0.000 0.431 115 A N -0.733 122.132 122.820 0.075 0.000 1.940 115 A HA -0.240 4.077 4.320 -0.005 0.000 0.219 115 A C 2.135 179.750 177.584 0.052 0.000 1.176 115 A CA 1.797 53.878 52.037 0.074 0.000 0.631 115 A CB -0.855 18.199 19.000 0.090 0.000 0.814 115 A HN 0.597 nan 8.150 nan 0.000 0.446 116 N N -0.422 118.302 118.700 0.040 0.000 2.443 116 N HA -0.114 4.623 4.740 -0.005 0.000 0.184 116 N C 1.707 177.233 175.510 0.027 0.000 1.037 116 N CA 1.006 54.076 53.050 0.034 0.000 0.896 116 N CB -0.236 38.267 38.487 0.026 0.000 0.959 116 N HN 0.685 nan 8.380 nan 0.000 0.442 117 Q N -0.581 119.232 119.800 0.021 0.000 2.311 117 Q HA -0.007 4.330 4.340 -0.005 0.000 0.203 117 Q C 1.758 177.767 176.000 0.014 0.000 0.954 117 Q CA 0.716 56.526 55.803 0.011 0.000 0.885 117 Q CB 0.448 29.190 28.738 0.005 0.000 0.963 117 Q HN 0.325 nan 8.270 nan 0.000 0.471 118 V N -3.178 116.750 119.914 0.025 0.000 3.590 118 V HA 0.082 4.199 4.120 -0.005 0.000 0.265 118 V C 1.380 177.491 176.094 0.030 0.000 1.239 118 V CA 0.541 62.854 62.300 0.021 0.000 1.117 118 V CB 0.582 32.421 31.823 0.027 0.000 0.818 118 V HN 0.214 nan 8.190 nan 0.000 0.451 119 V N -2.867 117.073 119.914 0.043 0.000 3.392 119 V HA 0.667 4.784 4.120 -0.005 0.000 0.294 119 V C 1.094 177.224 176.094 0.059 0.000 1.561 119 V CA 0.206 62.538 62.300 0.052 0.000 1.056 119 V CB -0.595 31.268 31.823 0.066 0.000 0.882 119 V HN 0.416 nan 8.190 nan 0.000 0.440 120 G N 0.090 108.925 108.800 0.058 0.000 2.716 120 G HA2 0.274 4.231 3.960 -0.005 0.000 0.251 120 G HA3 0.274 4.231 3.960 -0.005 0.000 0.251 120 G C 0.559 175.492 174.900 0.055 0.000 1.224 120 G CA 0.393 45.545 45.100 0.087 0.000 0.891 120 G HN 0.204 nan 8.290 nan 0.000 0.561 121 M N 1.149 120.750 119.600 0.002 0.000 2.088 121 M HA -0.077 4.400 4.480 -0.005 0.000 0.256 121 M C -0.168 176.091 176.300 -0.068 0.000 1.071 121 M CA 2.108 57.330 55.300 -0.131 0.000 1.097 121 M CB -1.060 31.326 32.600 -0.356 0.000 1.315 121 M HN 0.354 nan 8.290 nan 0.000 0.406 122 P HA -0.126 nan 4.420 nan 0.000 0.219 122 P C 1.537 178.825 177.300 -0.019 0.000 1.146 122 P CA 1.286 64.365 63.100 -0.036 0.000 0.808 122 P CB -0.137 31.545 31.700 -0.030 0.000 0.779 123 V N -1.270 118.638 119.914 -0.010 0.000 2.649 123 V HA -0.119 3.999 4.120 -0.005 0.000 0.248 123 V C 2.369 178.464 176.094 0.002 0.000 1.054 123 V CA 1.252 63.550 62.300 -0.003 0.000 1.073 123 V CB -0.928 30.897 31.823 0.003 0.000 0.699 123 V HN -0.027 nan 8.190 nan 0.000 0.463 124 V N 0.270 120.189 119.914 0.009 0.000 2.307 124 V HA -0.229 3.888 4.120 -0.005 0.000 0.245 124 V C 2.356 178.458 176.094 0.014 0.000 1.045 124 V CA 2.136 64.448 62.300 0.020 0.000 1.024 124 V CB -0.604 31.242 31.823 0.038 0.000 0.651 124 V HN 0.553 nan 8.190 nan 0.000 0.449 125 D N 0.160 120.560 120.400 0.000 0.000 2.116 125 D HA -0.189 4.448 4.640 -0.005 0.000 0.193 125 D C 2.186 178.490 176.300 0.007 0.000 0.998 125 D CA 1.248 55.249 54.000 0.002 0.000 0.836 125 D CB -0.251 40.542 40.800 -0.012 0.000 0.951 125 D HN 0.316 nan 8.370 nan 0.000 0.449 126 K N 0.657 121.058 120.400 0.002 0.000 2.103 126 K HA -0.080 4.237 4.320 -0.005 0.000 0.207 126 K C 2.333 178.938 176.600 0.009 0.000 1.048 126 K CA 0.334 56.623 56.287 0.003 0.000 0.930 126 K CB -0.697 31.801 32.500 -0.003 0.000 0.716 126 K HN 0.301 nan 8.250 nan 0.000 0.444 127 L N 1.046 122.276 121.223 0.011 0.000 2.465 127 L HA -0.082 4.255 4.340 -0.005 0.000 0.224 127 L C 2.239 179.129 176.870 0.035 0.000 1.145 127 L CA 0.363 55.213 54.840 0.016 0.000 0.834 127 L CB -0.217 41.848 42.059 0.010 0.000 0.944 127 L HN 0.146 nan 8.230 nan 0.000 0.451 128 E N 1.035 121.259 120.200 0.040 0.000 2.037 128 E HA -0.301 4.046 4.350 -0.005 0.000 0.214 128 E C 1.706 178.346 176.600 0.067 0.000 1.041 128 E CA 2.116 58.550 56.400 0.057 0.000 0.872 128 E CB -0.582 29.146 29.700 0.046 0.000 0.785 128 E HN 0.627 nan 8.360 nan 0.000 0.476 129 N N 0.195 118.926 118.700 0.052 0.000 2.091 129 N HA -0.237 4.500 4.740 -0.005 0.000 0.193 129 N C 2.014 177.563 175.510 0.065 0.000 1.021 129 N CA 1.207 54.289 53.050 0.053 0.000 0.862 129 N CB -0.201 38.309 38.487 0.038 0.000 1.018 129 N HN -0.010 nan 8.380 nan 0.000 0.429 130 R N 1.454 121.988 120.500 0.057 0.000 2.083 130 R HA -0.019 4.318 4.340 -0.005 0.000 0.237 130 R C 1.946 178.306 176.300 0.100 0.000 1.137 130 R CA 1.251 57.387 56.100 0.059 0.000 0.951 130 R CB -0.490 29.830 30.300 0.033 0.000 0.851 130 R HN 0.272 nan 8.270 nan 0.000 0.434 131 I N 0.116 120.758 120.570 0.120 0.000 2.226 131 I HA -0.298 3.870 4.170 -0.005 0.000 0.245 131 I C 2.622 178.927 176.117 0.313 0.000 1.100 131 I CA 1.585 63.015 61.300 0.217 0.000 1.374 131 I CB -0.446 37.670 38.000 0.194 0.000 1.057 131 I HN 0.427 nan 8.210 nan 0.000 0.413 132 Q N 0.762 120.681 119.800 0.199 0.000 2.084 132 Q HA -0.256 4.081 4.340 -0.005 0.000 0.202 132 Q C 2.270 178.354 176.000 0.140 0.000 0.978 132 Q CA 1.478 57.377 55.803 0.159 0.000 0.844 132 Q CB -0.040 28.760 28.738 0.104 0.000 0.898 132 Q HN 0.345 nan 8.270 nan 0.000 0.426 133 E N 0.462 120.735 120.200 0.122 0.000 2.085 133 E HA -0.209 4.138 4.350 -0.005 0.000 0.194 133 E C 2.008 178.683 176.600 0.126 0.000 0.994 133 E CA 1.006 57.465 56.400 0.099 0.000 0.801 133 E CB -0.148 29.599 29.700 0.078 0.000 0.743 133 E HN 0.331 nan 8.360 nan 0.000 0.453 134 L N 0.659 121.993 121.223 0.184 0.000 2.072 134 L HA -0.004 4.333 4.340 -0.005 0.000 0.205 134 L C 2.304 179.332 176.870 0.263 0.000 1.079 134 L CA 2.169 57.147 54.840 0.231 0.000 0.752 134 L CB -0.919 41.311 42.059 0.285 0.000 0.906 134 L HN 0.086 nan 8.230 nan 0.000 0.436 135 A N -1.376 121.598 122.820 0.258 0.000 1.898 135 A HA -0.211 4.107 4.320 -0.005 0.000 0.216 135 A C 2.381 180.024 177.584 0.098 0.000 1.181 135 A CA 1.722 53.804 52.037 0.076 0.000 0.620 135 A CB -1.433 17.487 19.000 -0.135 0.000 0.819 135 A HN 0.601 nan 8.150 nan 0.000 0.442 136 C N -1.207 118.136 119.300 0.072 0.000 2.440 136 C HA -0.033 4.424 4.460 -0.005 0.000 0.278 136 C C 3.293 178.303 174.990 0.033 0.000 1.295 136 C CA 1.277 60.311 59.018 0.027 0.000 1.738 136 C CB -1.057 26.699 27.740 0.027 0.000 1.987 136 C HN 0.689 nan 8.230 nan 0.000 0.492 137 S N 0.396 116.139 115.700 0.071 0.000 2.348 137 S HA -0.118 4.349 4.470 -0.005 0.000 0.221 137 S C 1.800 176.446 174.600 0.076 0.000 1.033 137 S CA 1.263 59.503 58.200 0.067 0.000 1.010 137 S CB -0.285 62.964 63.200 0.082 0.000 0.891 137 S HN 0.383 nan 8.310 nan 0.000 0.442 138 L N 1.765 123.066 121.223 0.130 0.000 2.042 138 L HA 0.022 4.359 4.340 -0.005 0.000 0.210 138 L C 2.220 179.160 176.870 0.116 0.000 1.076 138 L CA 1.585 56.529 54.840 0.173 0.000 0.749 138 L CB -1.143 41.108 42.059 0.320 0.000 0.893 138 L HN 0.443 nan 8.230 nan 0.000 0.432 139 I N -1.086 119.500 120.570 0.026 0.000 2.233 139 I HA -0.231 3.936 4.170 -0.005 0.000 0.243 139 I C 2.408 178.409 176.117 -0.193 0.000 1.093 139 I CA 0.926 62.102 61.300 -0.206 0.000 1.380 139 I CB -0.267 37.522 38.000 -0.352 0.000 1.067 139 I HN 0.208 nan 8.210 nan 0.000 0.413 140 E N 0.980 121.115 120.200 -0.109 0.000 2.153 140 E HA -0.228 4.120 4.350 -0.005 0.000 0.194 140 E C 2.203 178.786 176.600 -0.028 0.000 0.988 140 E CA 1.647 58.000 56.400 -0.077 0.000 0.811 140 E CB -0.201 29.473 29.700 -0.043 0.000 0.746 140 E HN 0.273 nan 8.360 nan 0.000 0.466 141 S N -1.132 114.570 115.700 0.003 0.000 2.428 141 S HA 0.019 4.486 4.470 -0.005 0.000 0.230 141 S C 1.762 176.394 174.600 0.054 0.000 1.014 141 S CA 0.684 58.903 58.200 0.032 0.000 0.957 141 S CB -0.125 63.103 63.200 0.048 0.000 0.784 141 S HN 0.357 nan 8.310 nan 0.000 0.499 142 L N 0.585 121.843 121.223 0.058 0.000 2.249 142 L HA 0.173 4.510 4.340 -0.005 0.000 0.207 142 L C 2.730 179.747 176.870 0.245 0.000 1.090 142 L CA 0.582 55.513 54.840 0.152 0.000 0.802 142 L CB -0.513 41.656 42.059 0.184 0.000 0.947 142 L HN 0.280 nan 8.230 nan 0.000 0.453 143 R N 1.142 121.689 120.500 0.077 0.000 2.136 143 R HA -0.204 4.133 4.340 -0.005 0.000 0.242 143 R C -0.549 175.920 176.300 0.282 0.000 1.131 143 R CA 2.509 58.676 56.100 0.113 0.000 0.937 143 R CB -1.322 28.927 30.300 -0.084 0.000 0.863 143 R HN 0.223 nan 8.270 nan 0.000 0.435 144 P HA -0.131 nan 4.420 nan 0.000 0.228 144 P C 0.161 177.488 177.300 0.044 0.000 1.151 144 P CA 1.369 64.525 63.100 0.092 0.000 0.770 144 P CB -0.078 31.648 31.700 0.042 0.000 0.786 145 Q N -0.857 118.962 119.800 0.032 0.000 2.432 145 Q HA 0.182 4.519 4.340 -0.005 0.000 0.205 145 Q C 1.596 177.367 176.000 -0.381 0.000 0.945 145 Q CA 0.553 56.290 55.803 -0.111 0.000 0.924 145 Q CB -0.476 28.220 28.738 -0.070 0.000 1.016 145 Q HN 0.186 nan 8.270 nan 0.000 0.503 146 G N 2.026 110.426 108.800 -0.667 0.000 2.212 146 G HA2 -0.342 3.615 3.960 -0.005 0.000 0.267 146 G HA3 -0.342 3.615 3.960 -0.005 0.000 0.267 146 G C -0.025 173.764 174.900 -1.852 0.000 1.002 146 G CA 1.191 45.308 45.100 -1.639 0.000 0.729 146 G HN 0.547 nan 8.290 nan 0.000 0.517 147 Q N -2.211 116.597 119.800 -1.653 0.000 2.702 147 Q HA 0.632 4.970 4.340 -0.005 0.000 0.289 147 Q C -0.443 175.331 176.000 -0.378 0.000 0.923 147 Q CA -0.767 54.508 55.803 -0.879 0.000 0.787 147 Q CB 1.577 30.078 28.738 -0.396 0.000 1.476 147 Q HN 1.567 nan 8.270 nan 0.000 0.402 148 C N -0.378 118.933 119.300 0.018 0.000 3.099 148 C HA 0.586 5.044 4.460 -0.005 0.000 0.357 148 C C -1.748 173.376 174.990 0.223 0.000 1.171 148 C CA -0.875 58.267 59.018 0.205 0.000 1.129 148 C CB 1.244 29.261 27.740 0.461 0.000 1.420 148 C HN 0.952 nan 8.230 nan 0.000 0.510 149 N N 1.088 119.894 118.700 0.176 0.000 2.457 149 N HA 0.286 5.023 4.740 -0.005 0.000 0.250 149 N C 0.398 176.028 175.510 0.200 0.000 0.982 149 N CA -0.439 52.711 53.050 0.166 0.000 0.941 149 N CB 0.749 39.296 38.487 0.099 0.000 1.120 149 N HN 0.797 nan 8.380 nan 0.000 0.505 150 F N 3.473 123.484 119.950 0.102 0.000 2.120 150 F HA -0.270 4.254 4.527 -0.005 0.000 0.300 150 F C 2.422 178.269 175.800 0.078 0.000 1.095 150 F CA 2.289 60.341 58.000 0.085 0.000 1.249 150 F CB -0.363 38.619 39.000 -0.030 0.000 0.995 150 F HN 0.592 nan 8.300 nan 0.000 0.480 151 T N -1.505 113.031 114.554 -0.030 0.000 2.674 151 T HA -0.247 4.100 4.350 -0.005 0.000 0.265 151 T C 1.654 176.277 174.700 -0.128 0.000 1.039 151 T CA 1.622 63.655 62.100 -0.112 0.000 1.150 151 T CB -0.864 67.987 68.868 -0.029 0.000 0.864 151 T HN 0.593 nan 8.240 nan 0.000 0.427 152 E N 1.318 121.488 120.200 -0.050 0.000 2.170 152 E HA -0.046 4.302 4.350 -0.005 0.000 0.191 152 E C 1.664 178.249 176.600 -0.026 0.000 0.981 152 E CA 0.966 57.347 56.400 -0.033 0.000 0.830 152 E CB -0.190 29.512 29.700 0.003 0.000 0.775 152 E HN 0.465 nan 8.360 nan 0.000 0.470 153 D N -0.604 119.799 120.400 0.005 0.000 2.289 153 D HA -0.058 4.579 4.640 -0.005 0.000 0.207 153 D C 0.927 177.281 176.300 0.089 0.000 0.966 153 D CA 0.937 54.979 54.000 0.070 0.000 0.868 153 D CB 0.162 41.057 40.800 0.159 0.000 0.943 153 D HN 0.255 nan 8.370 nan 0.000 0.514 154 Y N -0.220 119.928 120.300 -0.253 0.000 2.856 154 Y HA 0.351 4.898 4.550 -0.005 0.000 0.252 154 Y C 2.019 177.679 175.900 -0.401 0.000 1.145 154 Y CA 0.507 58.425 58.100 -0.304 0.000 1.204 154 Y CB -0.149 38.124 38.460 -0.310 0.000 1.403 154 Y HN -0.137 nan 8.280 nan 0.000 0.462 155 A N 0.839 123.225 122.820 -0.722 0.000 1.917 155 A HA -0.215 4.102 4.320 -0.005 0.000 0.219 155 A C 1.775 179.234 177.584 -0.209 0.000 1.182 155 A CA 2.494 54.279 52.037 -0.421 0.000 0.633 155 A CB -0.548 18.227 19.000 -0.375 0.000 0.819 155 A HN 0.673 nan 8.150 nan 0.000 0.448 156 E N -0.915 119.170 120.200 -0.193 0.000 2.057 156 E HA -0.054 4.293 4.350 -0.005 0.000 0.190 156 E C -0.547 175.986 176.600 -0.111 0.000 0.969 156 E CA 0.593 56.922 56.400 -0.119 0.000 0.812 156 E CB -0.504 29.145 29.700 -0.084 0.000 0.777 156 E HN 0.506 nan 8.360 nan 0.000 0.455 157 P HA -0.215 nan 4.420 nan 0.000 0.215 157 P C 1.420 178.668 177.300 -0.085 0.000 1.157 157 P CA 1.190 64.245 63.100 -0.075 0.000 0.868 157 P CB -0.073 31.600 31.700 -0.045 0.000 0.788 158 F N 2.886 122.614 119.950 -0.371 0.000 2.025 158 F HA -0.113 4.411 4.527 -0.005 0.000 0.297 158 F C -0.865 174.824 175.800 -0.186 0.000 1.132 158 F CA 2.032 59.797 58.000 -0.391 0.000 1.191 158 F CB -2.107 36.352 39.000 -0.903 0.000 0.963 158 F HN -0.011 nan 8.300 nan 0.000 0.481 159 P HA -0.090 nan 4.420 nan 0.000 0.217 159 P C 2.153 179.332 177.300 -0.202 0.000 1.151 159 P CA 1.851 64.689 63.100 -0.436 0.000 0.828 159 P CB -0.132 31.453 31.700 -0.192 0.000 0.788 160 I N -0.617 119.880 120.570 -0.121 0.000 2.226 160 I HA -0.211 3.957 4.170 -0.005 0.000 0.245 160 I C 2.492 178.618 176.117 0.015 0.000 1.100 160 I CA 1.411 62.697 61.300 -0.024 0.000 1.374 160 I CB -0.430 37.553 38.000 -0.028 0.000 1.057 160 I HN -0.133 nan 8.210 nan 0.000 0.413 161 R N 0.538 121.012 120.500 -0.044 0.000 2.115 161 R HA -0.062 4.276 4.340 -0.005 0.000 0.230 161 R C 2.311 178.585 176.300 -0.043 0.000 1.111 161 R CA 1.139 57.223 56.100 -0.026 0.000 0.976 161 R CB -0.236 30.050 30.300 -0.023 0.000 0.870 161 R HN 0.365 nan 8.270 nan 0.000 0.445 162 I N 0.016 120.523 120.570 -0.104 0.000 2.252 162 I HA -0.276 3.891 4.170 -0.005 0.000 0.245 162 I C 2.122 178.212 176.117 -0.045 0.000 1.102 162 I CA 1.221 62.453 61.300 -0.113 0.000 1.385 162 I CB -0.140 37.717 38.000 -0.238 0.000 1.064 162 I HN 0.095 nan 8.210 nan 0.000 0.414 163 F N 0.978 120.856 119.950 -0.119 0.000 2.163 163 F HA -0.192 4.332 4.527 -0.004 0.000 0.297 163 F C 2.453 178.226 175.800 -0.044 0.000 1.094 163 F CA 1.377 59.331 58.000 -0.076 0.000 1.290 163 F CB -0.100 38.855 39.000 -0.075 0.000 1.017 163 F HN -0.091 nan 8.300 nan 0.000 0.483 164 M N 0.017 119.611 119.600 -0.010 0.000 2.202 164 M HA -0.149 4.329 4.480 -0.005 0.000 0.262 164 M C 2.246 178.452 176.300 -0.156 0.000 1.063 164 M CA 1.301 56.558 55.300 -0.072 0.000 1.097 164 M CB -1.473 31.154 32.600 0.044 0.000 1.382 164 M HN 0.419 nan 8.290 nan 0.000 0.413 165 L N 0.241 121.387 121.223 -0.130 0.000 2.095 165 L HA -0.087 4.251 4.340 -0.005 0.000 0.204 165 L C 2.203 178.977 176.870 -0.160 0.000 1.080 165 L CA 1.211 55.986 54.840 -0.110 0.000 0.759 165 L CB -0.802 41.216 42.059 -0.068 0.000 0.914 165 L HN 0.202 nan 8.230 nan 0.000 0.439 166 L N 0.504 121.594 121.223 -0.223 0.000 2.042 166 L HA -0.086 4.252 4.340 -0.005 0.000 0.210 166 L C 2.376 179.061 176.870 -0.308 0.000 1.076 166 L CA 2.174 56.871 54.840 -0.238 0.000 0.749 166 L CB -1.021 40.887 42.059 -0.252 0.000 0.893 166 L HN 0.287 nan 8.230 nan 0.000 0.432 167 A N -0.853 121.664 122.820 -0.504 0.000 2.119 167 A HA 0.301 4.618 4.320 -0.005 0.000 0.216 167 A C 1.716 179.180 177.584 -0.200 0.000 1.152 167 A CA 0.701 52.483 52.037 -0.426 0.000 0.708 167 A CB -1.059 17.546 19.000 -0.659 0.000 0.805 167 A HN 0.994 nan 8.150 nan 0.000 0.460 168 G N -1.035 107.671 108.800 -0.157 0.000 2.246 168 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.273 168 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.273 168 G C -0.181 174.691 174.900 -0.046 0.000 1.055 168 G CA 0.507 45.557 45.100 -0.083 0.000 0.851 168 G HN 0.522 nan 8.290 nan 0.000 0.500 169 L N 0.658 121.861 121.223 -0.033 0.000 2.346 169 L HA 0.554 4.892 4.340 -0.005 0.000 0.276 169 L C -1.729 175.172 176.870 0.052 0.000 1.006 169 L CA -2.562 52.305 54.840 0.045 0.000 0.817 169 L CB 2.238 44.376 42.059 0.131 0.000 1.272 169 L HN -0.057 nan 8.230 nan 0.000 0.421 170 P HA 0.046 nan 4.420 nan 0.000 0.268 170 P C -0.150 177.192 177.300 0.069 0.000 1.204 170 P CA -0.059 63.076 63.100 0.059 0.000 0.768 170 P CB 0.863 32.599 31.700 0.059 0.000 0.842 171 E N 1.978 122.206 120.200 0.046 0.000 2.265 171 E HA -0.207 4.140 4.350 -0.005 0.000 0.196 171 E C 1.690 178.317 176.600 0.045 0.000 0.996 171 E CA 1.025 57.451 56.400 0.043 0.000 0.832 171 E CB 0.031 29.748 29.700 0.029 0.000 0.756 171 E HN 0.683 nan 8.360 nan 0.000 0.491 172 E N 1.359 121.587 120.200 0.047 0.000 2.153 172 E HA -0.215 4.132 4.350 -0.005 0.000 0.194 172 E C 1.025 177.658 176.600 0.055 0.000 0.988 172 E CA 1.142 57.569 56.400 0.045 0.000 0.811 172 E CB -0.087 29.638 29.700 0.041 0.000 0.746 172 E HN 0.122 nan 8.360 nan 0.000 0.466 173 D N 0.764 121.210 120.400 0.076 0.000 2.363 173 D HA 0.038 4.675 4.640 -0.005 0.000 0.226 173 D C 1.832 178.158 176.300 0.042 0.000 1.020 173 D CA 0.283 54.330 54.000 0.079 0.000 0.892 173 D CB 0.034 40.912 40.800 0.130 0.000 0.900 173 D HN 0.363 nan 8.370 nan 0.000 0.531 174 I N 1.356 121.950 120.570 0.041 0.000 2.179 174 I HA -0.204 3.963 4.170 -0.005 0.000 0.242 174 I C -0.561 175.570 176.117 0.024 0.000 1.088 174 I CA 1.138 62.452 61.300 0.023 0.000 1.357 174 I CB -1.261 36.754 38.000 0.025 0.000 1.051 174 I HN -0.017 nan 8.210 nan 0.000 0.409 175 P HA -0.218 nan 4.420 nan 0.000 0.215 175 P C 1.491 178.847 177.300 0.092 0.000 1.157 175 P CA 1.669 64.803 63.100 0.057 0.000 0.874 175 P CB -0.075 31.655 31.700 0.051 0.000 0.790 176 H N -0.506 118.565 119.070 0.002 0.000 2.321 176 H HA -0.054 4.500 4.556 -0.004 0.000 0.300 176 H C 1.815 177.152 175.328 0.015 0.000 1.087 176 H CA 1.514 57.571 56.048 0.015 0.000 1.319 176 H CB -1.000 28.747 29.762 -0.024 0.000 1.379 176 H HN -0.058 nan 8.280 nan 0.000 0.501 177 L N -0.133 121.006 121.223 -0.140 0.000 2.046 177 L HA -0.150 4.187 4.340 -0.005 0.000 0.208 177 L C 2.543 179.308 176.870 -0.175 0.000 1.077 177 L CA 1.669 56.364 54.840 -0.241 0.000 0.747 177 L CB -0.435 41.494 42.059 -0.216 0.000 0.896 177 L HN 0.198 nan 8.230 nan 0.000 0.432 178 K N -0.201 120.144 120.400 -0.092 0.000 2.097 178 K HA -0.241 4.076 4.320 -0.005 0.000 0.206 178 K C 2.102 178.659 176.600 -0.070 0.000 1.049 178 K CA 1.414 57.659 56.287 -0.070 0.000 0.933 178 K CB -0.492 31.991 32.500 -0.028 0.000 0.717 178 K HN 0.254 nan 8.250 nan 0.000 0.442 179 Y N 0.689 120.911 120.300 -0.131 0.000 2.145 179 Y HA -0.135 4.413 4.550 -0.004 0.000 0.286 179 Y C 1.509 177.325 175.900 -0.140 0.000 1.145 179 Y CA 1.757 59.788 58.100 -0.115 0.000 1.148 179 Y CB -0.279 38.113 38.460 -0.114 0.000 0.981 179 Y HN 0.000 nan 8.280 nan 0.000 0.507 180 L N -0.721 120.269 121.223 -0.389 0.000 2.079 180 L HA -0.251 4.087 4.340 -0.005 0.000 0.210 180 L C 2.409 179.099 176.870 -0.300 0.000 1.081 180 L CA 1.856 56.448 54.840 -0.412 0.000 0.752 180 L CB -0.958 40.906 42.059 -0.325 0.000 0.896 180 L HN 0.247 nan 8.230 nan 0.000 0.433 181 T N -0.866 113.557 114.554 -0.218 0.000 2.777 181 T HA -0.155 4.192 4.350 -0.005 0.000 0.266 181 T C 1.370 176.029 174.700 -0.068 0.000 1.040 181 T CA 1.511 63.541 62.100 -0.117 0.000 1.141 181 T CB -0.136 68.661 68.868 -0.118 0.000 0.868 181 T HN 0.306 nan 8.240 nan 0.000 0.444 182 D N 0.694 121.016 120.400 -0.130 0.000 2.224 182 D HA -0.025 4.613 4.640 -0.005 0.000 0.205 182 D C 2.355 178.593 176.300 -0.104 0.000 0.965 182 D CA 0.570 54.517 54.000 -0.087 0.000 0.852 182 D CB -0.183 40.561 40.800 -0.094 0.000 0.947 182 D HN 0.193 nan 8.370 nan 0.000 0.494 183 Q N -0.410 119.241 119.800 -0.248 0.000 2.224 183 Q HA 0.045 4.382 4.340 -0.005 0.000 0.203 183 Q C 2.083 178.084 176.000 0.001 0.000 0.970 183 Q CA 0.659 56.335 55.803 -0.212 0.000 0.865 183 Q CB -0.159 28.341 28.738 -0.397 0.000 0.922 183 Q HN 0.422 nan 8.270 nan 0.000 0.445 184 M N -0.348 119.308 119.600 0.092 0.000 2.236 184 M HA -0.091 4.386 4.480 -0.005 0.000 0.266 184 M C 2.025 178.653 176.300 0.546 0.000 1.070 184 M CA 1.776 57.330 55.300 0.423 0.000 1.137 184 M CB -0.099 32.776 32.600 0.459 0.000 1.378 184 M HN 0.255 nan 8.290 nan 0.000 0.426 185 T N -1.941 112.793 114.554 0.301 0.000 3.010 185 T HA 0.100 4.447 4.350 -0.005 0.000 0.252 185 T C 1.037 175.850 174.700 0.189 0.000 1.047 185 T CA 0.176 62.383 62.100 0.178 0.000 1.140 185 T CB 0.044 68.984 68.868 0.120 0.000 0.885 185 T HN 0.280 nan 8.240 nan 0.000 0.464 186 R N 2.209 122.797 120.500 0.146 0.000 2.653 186 R HA 0.320 4.657 4.340 -0.005 0.000 0.269 186 R C -2.941 173.388 176.300 0.049 0.000 1.603 186 R CA -1.786 54.406 56.100 0.153 0.000 1.671 186 R CB 1.070 31.445 30.300 0.126 0.000 1.300 186 R HN 0.349 nan 8.270 nan 0.000 0.668 187 P HA -0.144 nan 4.420 nan 0.000 0.261 187 P C -0.226 177.041 177.300 -0.055 0.000 1.165 187 P CA 0.436 63.491 63.100 -0.074 0.000 0.759 187 P CB 0.987 32.597 31.700 -0.150 0.000 0.772 188 D N 2.511 122.893 120.400 -0.030 0.000 2.194 188 D HA -0.020 4.617 4.640 -0.005 0.000 0.204 188 D C 1.761 178.065 176.300 0.007 0.000 0.964 188 D CA 1.880 55.887 54.000 0.012 0.000 0.846 188 D CB -0.238 40.599 40.800 0.060 0.000 0.962 188 D HN 0.683 nan 8.370 nan 0.000 0.490 189 G N -0.562 108.233 108.800 -0.009 0.000 2.238 189 G HA2 -0.311 3.646 3.960 -0.005 0.000 0.217 189 G HA3 -0.311 3.646 3.960 -0.005 0.000 0.217 189 G C 1.228 176.141 174.900 0.021 0.000 0.996 189 G CA 0.967 46.062 45.100 -0.007 0.000 0.632 189 G HN 0.407 nan 8.290 nan 0.000 0.503 190 S N 0.037 115.768 115.700 0.052 0.000 2.474 190 S HA 0.375 4.842 4.470 -0.005 0.000 0.235 190 S C 1.019 175.668 174.600 0.081 0.000 0.997 190 S CA 1.509 59.759 58.200 0.083 0.000 0.949 190 S CB -0.435 62.855 63.200 0.151 0.000 0.766 190 S HN 1.568 nan 8.310 nan 0.000 0.517 191 M N -0.070 119.561 119.600 0.051 0.000 2.471 191 M HA 0.460 4.937 4.480 -0.005 0.000 0.284 191 M C -0.787 175.519 176.300 0.009 0.000 1.203 191 M CA -0.897 54.422 55.300 0.031 0.000 0.915 191 M CB 1.475 34.101 32.600 0.043 0.000 1.734 191 M HN 0.014 nan 8.290 nan 0.000 0.485 192 T N -1.111 113.452 114.554 0.016 0.000 2.828 192 T HA 0.317 4.664 4.350 -0.005 0.000 0.290 192 T C 0.592 175.319 174.700 0.045 0.000 1.019 192 T CA -0.369 61.760 62.100 0.047 0.000 1.031 192 T CB 0.942 69.844 68.868 0.057 0.000 1.001 192 T HN 0.670 nan 8.240 nan 0.000 0.531 193 F N 1.744 121.708 119.950 0.023 0.000 2.126 193 F HA -0.028 4.496 4.527 -0.004 0.000 0.299 193 F C 2.481 178.261 175.800 -0.034 0.000 1.096 193 F CA 1.814 59.843 58.000 0.048 0.000 1.255 193 F CB -1.041 38.045 39.000 0.142 0.000 0.997 193 F HN 0.751 nan 8.300 nan 0.000 0.479 194 A N 0.206 122.998 122.820 -0.047 0.000 1.883 194 A HA -0.240 4.077 4.320 -0.005 0.000 0.217 194 A C 2.120 179.564 177.584 -0.233 0.000 1.186 194 A CA 2.049 53.999 52.037 -0.145 0.000 0.624 194 A CB -1.032 17.986 19.000 0.030 0.000 0.822 194 A HN 0.580 nan 8.150 nan 0.000 0.444 195 E N -0.384 119.735 120.200 -0.135 0.000 2.077 195 E HA -0.079 4.268 4.350 -0.005 0.000 0.193 195 E C 2.305 178.808 176.600 -0.163 0.000 0.989 195 E CA 1.014 57.351 56.400 -0.105 0.000 0.800 195 E CB -0.304 29.374 29.700 -0.037 0.000 0.746 195 E HN 0.618 nan 8.360 nan 0.000 0.452 196 A N 1.517 124.201 122.820 -0.227 0.000 1.933 196 A HA -0.227 4.090 4.320 -0.005 0.000 0.218 196 A C 2.057 179.410 177.584 -0.385 0.000 1.175 196 A CA 1.520 53.398 52.037 -0.264 0.000 0.628 196 A CB -0.345 18.491 19.000 -0.272 0.000 0.814 196 A HN 0.056 nan 8.150 nan 0.000 0.444 197 K N -0.619 119.400 120.400 -0.634 0.000 2.057 197 K HA -0.170 4.147 4.320 -0.005 0.000 0.206 197 K C 1.843 178.066 176.600 -0.627 0.000 1.050 197 K CA 1.415 57.212 56.287 -0.816 0.000 0.935 197 K CB -0.110 31.685 32.500 -1.174 0.000 0.715 197 K HN 0.305 nan 8.250 nan 0.000 0.439 198 E N 0.581 120.559 120.200 -0.369 0.000 2.058 198 E HA -0.184 4.164 4.350 -0.005 0.000 0.194 198 E C 1.898 178.472 176.600 -0.044 0.000 0.997 198 E CA 1.362 57.676 56.400 -0.143 0.000 0.801 198 E CB -0.426 29.236 29.700 -0.063 0.000 0.746 198 E HN 0.423 nan 8.360 nan 0.000 0.450 199 A N 1.008 123.799 122.820 -0.048 0.000 1.902 199 A HA -0.170 4.147 4.320 -0.005 0.000 0.217 199 A C 2.269 179.917 177.584 0.107 0.000 1.181 199 A CA 1.435 53.511 52.037 0.064 0.000 0.623 199 A CB -0.656 18.395 19.000 0.084 0.000 0.818 199 A HN 0.260 nan 8.150 nan 0.000 0.443 200 L N -1.422 119.792 121.223 -0.015 0.000 2.012 200 L HA -0.169 4.168 4.340 -0.005 0.000 0.210 200 L C 2.323 179.350 176.870 0.261 0.000 1.073 200 L CA 1.950 56.823 54.840 0.055 0.000 0.748 200 L CB -0.846 41.167 42.059 -0.076 0.000 0.891 200 L HN 0.469 nan 8.230 nan 0.000 0.431 201 Y N -0.193 120.151 120.300 0.073 0.000 2.181 201 Y HA -0.234 4.313 4.550 -0.005 0.000 0.288 201 Y C 2.596 178.542 175.900 0.077 0.000 1.146 201 Y CA 1.282 59.417 58.100 0.058 0.000 1.164 201 Y CB -1.134 37.316 38.460 -0.016 0.000 0.982 201 Y HN 0.429 nan 8.280 nan 0.000 0.515 202 D N -1.129 119.422 120.400 0.251 0.000 2.144 202 D HA -0.257 4.380 4.640 -0.005 0.000 0.199 202 D C 2.132 178.547 176.300 0.191 0.000 0.984 202 D CA 1.088 55.192 54.000 0.173 0.000 0.834 202 D CB -0.365 40.521 40.800 0.143 0.000 0.955 202 D HN 0.359 nan 8.370 nan 0.000 0.465 203 Y N 0.405 120.776 120.300 0.119 0.000 2.200 203 Y HA -0.011 4.536 4.550 -0.005 0.000 0.290 203 Y C 1.780 177.734 175.900 0.090 0.000 1.137 203 Y CA 1.345 59.510 58.100 0.108 0.000 1.163 203 Y CB -0.170 38.379 38.460 0.149 0.000 0.988 203 Y HN 0.008 nan 8.280 nan 0.000 0.518 204 L N -0.429 120.867 121.223 0.122 0.000 2.179 204 L HA -0.136 4.201 4.340 -0.005 0.000 0.208 204 L C 2.399 179.239 176.870 -0.051 0.000 1.096 204 L CA 0.721 55.563 54.840 0.002 0.000 0.779 204 L CB -0.466 41.705 42.059 0.186 0.000 0.922 204 L HN 0.266 nan 8.230 nan 0.000 0.443 205 I N 0.481 121.043 120.570 -0.014 0.000 2.087 205 I HA -0.284 3.883 4.170 -0.005 0.000 0.240 205 I C -0.236 175.844 176.117 -0.061 0.000 1.054 205 I CA 1.989 63.267 61.300 -0.037 0.000 1.311 205 I CB -1.355 36.635 38.000 -0.017 0.000 1.024 205 I HN 0.214 nan 8.210 nan 0.000 0.402 206 P HA -0.113 nan 4.420 nan 0.000 0.218 206 P C 1.791 179.031 177.300 -0.101 0.000 1.149 206 P CA 1.418 64.469 63.100 -0.083 0.000 0.817 206 P CB 0.019 31.667 31.700 -0.087 0.000 0.785 207 I N -1.458 119.022 120.570 -0.149 0.000 2.252 207 I HA -0.197 3.970 4.170 -0.005 0.000 0.245 207 I C 2.227 178.293 176.117 -0.084 0.000 1.102 207 I CA 1.347 62.561 61.300 -0.143 0.000 1.385 207 I CB -0.523 37.343 38.000 -0.224 0.000 1.064 207 I HN -0.114 nan 8.210 nan 0.000 0.414 208 I N 0.677 121.206 120.570 -0.069 0.000 2.315 208 I HA -0.282 3.886 4.170 -0.005 0.000 0.248 208 I C 2.641 178.734 176.117 -0.040 0.000 1.117 208 I CA 1.381 62.655 61.300 -0.042 0.000 1.404 208 I CB -0.265 37.715 38.000 -0.034 0.000 1.071 208 I HN 0.287 nan 8.210 nan 0.000 0.419 209 E N 0.553 120.726 120.200 -0.045 0.000 2.110 209 E HA -0.294 4.053 4.350 -0.005 0.000 0.193 209 E C 2.163 178.742 176.600 -0.035 0.000 0.988 209 E CA 1.312 57.689 56.400 -0.037 0.000 0.804 209 E CB 0.112 29.790 29.700 -0.037 0.000 0.745 209 E HN 0.454 nan 8.360 nan 0.000 0.458 210 Q N -0.062 119.713 119.800 -0.042 0.000 2.084 210 Q HA -0.119 4.219 4.340 -0.005 0.000 0.202 210 Q C 2.109 178.090 176.000 -0.033 0.000 0.978 210 Q CA 1.428 57.208 55.803 -0.039 0.000 0.844 210 Q CB 0.030 28.739 28.738 -0.048 0.000 0.898 210 Q HN -0.006 nan 8.270 nan 0.000 0.426 211 R N -0.296 120.183 120.500 -0.035 0.000 2.189 211 R HA -0.010 4.327 4.340 -0.005 0.000 0.223 211 R C 1.903 178.189 176.300 -0.023 0.000 1.092 211 R CA 1.012 57.095 56.100 -0.029 0.000 0.989 211 R CB -0.028 30.255 30.300 -0.029 0.000 0.876 211 R HN 0.127 nan 8.270 nan 0.000 0.457 212 R N -0.144 120.343 120.500 -0.022 0.000 2.112 212 R HA -0.024 4.314 4.340 -0.005 0.000 0.216 212 R C 1.689 177.978 176.300 -0.018 0.000 1.080 212 R CA 1.009 57.099 56.100 -0.018 0.000 0.996 212 R CB 0.129 30.418 30.300 -0.018 0.000 0.902 212 R HN 0.239 nan 8.270 nan 0.000 0.449 213 Q N 0.239 120.027 119.800 -0.020 0.000 2.050 213 Q HA -0.126 4.212 4.340 -0.005 0.000 0.202 213 Q C 0.407 176.396 176.000 -0.017 0.000 0.980 213 Q CA 1.312 57.104 55.803 -0.018 0.000 0.840 213 Q CB 0.096 28.822 28.738 -0.020 0.000 0.898 213 Q HN -0.019 nan 8.270 nan 0.000 0.424 214 K N 1.031 121.419 120.400 -0.019 0.000 2.616 214 K HA 0.304 4.621 4.320 -0.005 0.000 0.241 214 K C -2.811 173.778 176.600 -0.019 0.000 0.961 214 K CA -2.151 54.125 56.287 -0.018 0.000 0.942 214 K CB 1.617 34.106 32.500 -0.018 0.000 1.153 214 K HN -0.204 nan 8.250 nan 0.000 0.452 215 P HA 0.121 nan 4.420 nan 0.000 0.271 215 P C -0.321 176.967 177.300 -0.019 0.000 1.226 215 P CA -0.146 62.944 63.100 -0.018 0.000 0.765 215 P CB 1.495 33.186 31.700 -0.015 0.000 0.835 216 G N 1.247 110.034 108.800 -0.021 0.000 2.702 216 G HA2 0.454 4.411 3.960 -0.005 0.000 0.254 216 G HA3 0.454 4.411 3.960 -0.005 0.000 0.254 216 G C 0.232 175.118 174.900 -0.023 0.000 1.380 216 G CA -0.304 44.782 45.100 -0.023 0.000 1.042 216 G HN 0.412 nan 8.290 nan 0.000 0.557 217 T N -1.706 112.832 114.554 -0.026 0.000 3.182 217 T HA 0.230 4.577 4.350 -0.005 0.000 0.277 217 T C -0.006 174.672 174.700 -0.036 0.000 1.013 217 T CA 0.032 62.116 62.100 -0.027 0.000 0.900 217 T CB -0.345 68.509 68.868 -0.024 0.000 1.098 217 T HN 0.546 nan 8.240 nan 0.000 0.543 218 D N 0.533 120.907 120.400 -0.043 0.000 2.340 218 D HA 0.442 5.079 4.640 -0.005 0.000 0.251 218 D C 1.410 177.675 176.300 -0.059 0.000 1.080 218 D CA -0.411 53.552 54.000 -0.063 0.000 0.971 218 D CB 1.691 42.448 40.800 -0.071 0.000 1.137 218 D HN 0.088 nan 8.370 nan 0.000 0.475 219 A N 1.234 124.004 122.820 -0.084 0.000 1.940 219 A HA -0.167 4.150 4.320 -0.005 0.000 0.219 219 A C 2.222 179.787 177.584 -0.032 0.000 1.176 219 A CA 1.051 53.052 52.037 -0.060 0.000 0.631 219 A CB -0.634 18.312 19.000 -0.090 0.000 0.814 219 A HN 0.654 nan 8.150 nan 0.000 0.446 220 I N 0.845 121.390 120.570 -0.041 0.000 2.142 220 I HA -0.226 3.942 4.170 -0.005 0.000 0.240 220 I C 2.757 178.869 176.117 -0.009 0.000 1.078 220 I CA 2.100 63.393 61.300 -0.012 0.000 1.343 220 I CB -1.586 36.405 38.000 -0.016 0.000 1.046 220 I HN 0.476 nan 8.210 nan 0.000 0.405 221 S N 1.187 116.875 115.700 -0.020 0.000 2.423 221 S HA -0.056 4.411 4.470 -0.005 0.000 0.231 221 S C 2.033 176.627 174.600 -0.010 0.000 1.014 221 S CA 0.647 58.838 58.200 -0.016 0.000 0.965 221 S CB -0.505 62.682 63.200 -0.022 0.000 0.785 221 S HN 0.265 nan 8.310 nan 0.000 0.495 222 I N 1.792 122.355 120.570 -0.011 0.000 2.179 222 I HA -0.106 4.061 4.170 -0.005 0.000 0.242 222 I C 2.470 178.591 176.117 0.007 0.000 1.088 222 I CA 0.981 62.278 61.300 -0.005 0.000 1.357 222 I CB -1.395 36.601 38.000 -0.007 0.000 1.051 222 I HN 0.231 nan 8.210 nan 0.000 0.409 223 V N 1.379 121.303 119.914 0.016 0.000 2.270 223 V HA -0.227 3.890 4.120 -0.005 0.000 0.245 223 V C 2.809 178.922 176.094 0.032 0.000 1.043 223 V CA 1.913 64.234 62.300 0.035 0.000 1.014 223 V CB -1.075 30.779 31.823 0.051 0.000 0.645 223 V HN 0.466 nan 8.190 nan 0.000 0.447 224 A N 0.080 122.912 122.820 0.019 0.000 2.019 224 A HA -0.197 4.120 4.320 -0.005 0.000 0.219 224 A C 1.776 179.364 177.584 0.007 0.000 1.164 224 A CA 2.128 54.172 52.037 0.012 0.000 0.644 224 A CB -0.644 18.356 19.000 -0.000 0.000 0.805 224 A HN 0.675 nan 8.150 nan 0.000 0.449 225 N N -0.693 118.009 118.700 0.003 0.000 2.230 225 N HA 0.276 5.013 4.740 -0.005 0.000 0.202 225 N C 0.782 176.291 175.510 -0.001 0.000 1.119 225 N CA 0.450 53.499 53.050 -0.002 0.000 0.851 225 N CB 0.505 38.987 38.487 -0.007 0.000 0.990 225 N HN 0.427 nan 8.380 nan 0.000 0.497 226 G N -0.278 108.525 108.800 0.005 0.000 2.621 226 G HA2 0.339 4.296 3.960 -0.005 0.000 0.271 226 G HA3 0.339 4.296 3.960 -0.005 0.000 0.271 226 G C -0.439 174.456 174.900 -0.008 0.000 1.236 226 G CA -0.342 44.758 45.100 0.000 0.000 0.958 226 G HN 0.069 nan 8.290 nan 0.000 0.512 227 Q N -1.463 118.321 119.800 -0.026 0.000 2.413 227 Q HA 0.533 4.871 4.340 -0.005 0.000 0.276 227 Q C -1.057 174.886 176.000 -0.095 0.000 1.099 227 Q CA -0.958 54.815 55.803 -0.049 0.000 0.814 227 Q CB 2.781 31.492 28.738 -0.045 0.000 1.379 227 Q HN 0.543 nan 8.270 nan 0.000 0.436 228 V N -0.572 119.255 119.914 -0.146 0.000 2.577 228 V HA 0.448 4.565 4.120 -0.005 0.000 0.303 228 V C 0.138 176.104 176.094 -0.213 0.000 1.042 228 V CA -0.630 61.512 62.300 -0.264 0.000 0.872 228 V CB 1.448 32.927 31.823 -0.574 0.000 0.998 228 V HN 1.076 nan 8.190 nan 0.000 0.423 229 N N 3.267 121.859 118.700 -0.180 0.000 2.747 229 N HA -0.236 4.501 4.740 -0.005 0.000 0.249 229 N C 1.130 176.585 175.510 -0.090 0.000 1.107 229 N CA 1.307 54.281 53.050 -0.127 0.000 0.707 229 N CB -1.081 37.325 38.487 -0.135 0.000 1.054 229 N HN 2.568 nan 8.380 nan 0.000 0.555 230 G N -0.458 108.293 108.800 -0.083 0.000 2.184 230 G HA2 -0.356 3.601 3.960 -0.005 0.000 0.264 230 G HA3 -0.356 3.601 3.960 -0.005 0.000 0.264 230 G C 0.032 174.901 174.900 -0.052 0.000 0.975 230 G CA 1.199 46.264 45.100 -0.058 0.000 0.642 230 G HN 1.033 nan 8.290 nan 0.000 0.536 231 R N -0.626 119.836 120.500 -0.064 0.000 2.778 231 R HA 0.758 5.095 4.340 -0.005 0.000 0.277 231 R C -3.145 173.132 176.300 -0.039 0.000 0.977 231 R CA -2.614 53.459 56.100 -0.045 0.000 0.950 231 R CB 0.475 30.751 30.300 -0.039 0.000 1.165 231 R HN 0.055 nan 8.270 nan 0.000 0.474 232 P HA -0.006 nan 4.420 nan 0.000 0.265 232 P C -0.421 176.883 177.300 0.006 0.000 1.193 232 P CA -0.048 63.047 63.100 -0.009 0.000 0.765 232 P CB 0.463 32.160 31.700 -0.005 0.000 0.823 233 I N 2.783 123.365 120.570 0.021 0.000 2.581 233 I HA 0.183 4.350 4.170 -0.005 0.000 0.288 233 I C 0.592 176.739 176.117 0.050 0.000 1.047 233 I CA -0.239 61.101 61.300 0.066 0.000 1.374 233 I CB 1.051 39.111 38.000 0.101 0.000 1.423 233 I HN 0.372 nan 8.210 nan 0.000 0.549 234 T N 2.392 116.982 114.554 0.060 0.000 2.816 234 T HA 0.197 4.544 4.350 -0.005 0.000 0.282 234 T C 1.082 175.784 174.700 0.004 0.000 0.993 234 T CA -0.435 61.678 62.100 0.022 0.000 0.994 234 T CB 1.356 70.233 68.868 0.015 0.000 1.025 234 T HN 0.675 nan 8.240 nan 0.000 0.529 235 S N 0.297 115.986 115.700 -0.017 0.000 2.382 235 S HA -0.123 4.344 4.470 -0.005 0.000 0.228 235 S C 1.665 176.225 174.600 -0.067 0.000 1.027 235 S CA 1.414 59.593 58.200 -0.036 0.000 0.991 235 S CB -0.589 62.586 63.200 -0.040 0.000 0.823 235 S HN 0.919 nan 8.310 nan 0.000 0.469 236 D N 0.984 121.337 120.400 -0.078 0.000 2.117 236 D HA -0.082 4.555 4.640 -0.005 0.000 0.198 236 D C 1.957 178.170 176.300 -0.145 0.000 0.982 236 D CA 1.062 54.981 54.000 -0.135 0.000 0.828 236 D CB -0.073 40.654 40.800 -0.122 0.000 0.967 236 D HN 0.438 nan 8.370 nan 0.000 0.464 237 E N -0.340 119.814 120.200 -0.076 0.000 2.106 237 E HA -0.099 4.248 4.350 -0.005 0.000 0.192 237 E C 2.046 178.620 176.600 -0.044 0.000 0.984 237 E CA 0.919 57.274 56.400 -0.075 0.000 0.806 237 E CB -0.097 29.632 29.700 0.049 0.000 0.750 237 E HN 0.317 nan 8.360 nan 0.000 0.458 238 A N 1.492 124.307 122.820 -0.009 0.000 1.969 238 A HA -0.217 4.100 4.320 -0.005 0.000 0.218 238 A C 2.032 179.610 177.584 -0.011 0.000 1.169 238 A CA 1.541 53.586 52.037 0.013 0.000 0.635 238 A CB -0.316 18.693 19.000 0.015 0.000 0.810 238 A HN 0.091 nan 8.150 nan 0.000 0.445 239 K N -0.254 120.095 120.400 -0.084 0.000 2.031 239 K HA -0.122 4.195 4.320 -0.005 0.000 0.205 239 K C 2.188 178.732 176.600 -0.093 0.000 1.049 239 K CA 1.194 57.404 56.287 -0.127 0.000 0.939 239 K CB -0.223 32.090 32.500 -0.311 0.000 0.717 239 K HN 0.402 nan 8.250 nan 0.000 0.438 240 R N 0.401 120.789 120.500 -0.188 0.000 2.105 240 R HA -0.150 4.187 4.340 -0.005 0.000 0.239 240 R C 2.481 178.897 176.300 0.194 0.000 1.135 240 R CA 2.110 58.215 56.100 0.008 0.000 0.967 240 R CB -0.373 29.859 30.300 -0.114 0.000 0.861 240 R HN 0.412 nan 8.270 nan 0.000 0.442 241 M N -0.304 119.343 119.600 0.078 0.000 2.236 241 M HA -0.092 4.385 4.480 -0.005 0.000 0.266 241 M C 1.906 178.273 176.300 0.112 0.000 1.070 241 M CA 1.541 56.896 55.300 0.093 0.000 1.137 241 M CB -0.011 32.635 32.600 0.076 0.000 1.378 241 M HN 0.146 nan 8.290 nan 0.000 0.426 242 C N 1.092 120.466 119.300 0.123 0.000 2.435 242 C HA 0.003 4.460 4.460 -0.005 0.000 0.279 242 C C 2.803 177.891 174.990 0.163 0.000 1.321 242 C CA 1.047 60.151 59.018 0.143 0.000 1.752 242 C CB -1.818 26.003 27.740 0.134 0.000 1.959 242 C HN 0.835 nan 8.230 nan 0.000 0.500 243 G N 0.050 108.992 108.800 0.236 0.000 2.408 243 G HA2 -0.174 3.783 3.960 -0.005 0.000 0.217 243 G HA3 -0.174 3.783 3.960 -0.005 0.000 0.217 243 G C 1.551 176.278 174.900 -0.289 0.000 1.150 243 G CA 0.757 45.984 45.100 0.212 0.000 0.776 243 G HN 0.502 nan 8.290 nan 0.000 0.542 244 L N 0.302 121.302 121.223 -0.373 0.000 2.056 244 L HA 0.151 4.488 4.340 -0.005 0.000 0.207 244 L C 2.712 179.397 176.870 -0.309 0.000 1.078 244 L CA 1.089 55.524 54.840 -0.675 0.000 0.749 244 L CB -0.220 41.634 42.059 -0.342 0.000 0.901 244 L HN 0.166 nan 8.230 nan 0.000 0.433 245 L N -1.125 120.041 121.223 -0.096 0.000 2.043 245 L HA -0.261 4.076 4.340 -0.005 0.000 0.212 245 L C 2.508 179.280 176.870 -0.163 0.000 1.075 245 L CA 0.828 55.672 54.840 0.006 0.000 0.752 245 L CB -0.739 41.438 42.059 0.197 0.000 0.891 245 L HN 0.342 nan 8.230 nan 0.000 0.432 246 L N -0.284 120.871 121.223 -0.114 0.000 2.046 246 L HA -0.170 4.167 4.340 -0.005 0.000 0.208 246 L C 2.604 179.216 176.870 -0.431 0.000 1.077 246 L CA 1.654 56.331 54.840 -0.273 0.000 0.747 246 L CB -0.713 41.333 42.059 -0.021 0.000 0.896 246 L HN 0.088 nan 8.230 nan 0.000 0.432 247 V N -0.126 119.570 119.914 -0.363 0.000 2.332 247 V HA -0.232 3.885 4.120 -0.005 0.000 0.248 247 V C 2.675 178.615 176.094 -0.258 0.000 1.055 247 V CA 1.783 63.908 62.300 -0.292 0.000 1.038 247 V CB -1.532 30.108 31.823 -0.304 0.000 0.651 247 V HN 0.562 nan 8.190 nan 0.000 0.450 248 G N 0.107 108.741 108.800 -0.277 0.000 2.421 248 G HA2 -0.125 3.832 3.960 -0.005 0.000 0.216 248 G HA3 -0.125 3.832 3.960 -0.005 0.000 0.216 248 G C 1.626 176.337 174.900 -0.315 0.000 1.171 248 G CA 0.879 45.852 45.100 -0.212 0.000 0.775 248 G HN 0.598 nan 8.290 nan 0.000 0.543 249 G N 0.260 108.658 108.800 -0.670 0.000 2.432 249 G HA2 -0.013 3.945 3.960 -0.005 0.000 0.219 249 G HA3 -0.013 3.945 3.960 -0.005 0.000 0.219 249 G C 1.588 176.187 174.900 -0.502 0.000 1.135 249 G CA 0.756 45.351 45.100 -0.843 0.000 0.767 249 G HN 0.350 nan 8.290 nan 0.000 0.550 250 L N -0.540 120.415 121.223 -0.445 0.000 2.408 250 L HA 0.335 4.672 4.340 -0.005 0.000 0.215 250 L C 0.940 177.728 176.870 -0.137 0.000 1.081 250 L CA 0.845 55.544 54.840 -0.235 0.000 0.840 250 L CB 0.463 42.397 42.059 -0.208 0.000 1.002 250 L HN 0.047 nan 8.230 nan 0.000 0.468 251 D N -1.909 118.419 120.400 -0.120 0.000 2.804 251 D HA 0.138 4.775 4.640 -0.005 0.000 0.308 251 D C 1.033 177.330 176.300 -0.006 0.000 1.371 251 D CA 0.718 54.690 54.000 -0.048 0.000 0.823 251 D CB 0.406 41.191 40.800 -0.025 0.000 1.126 251 D HN 0.279 nan 8.370 nan 0.000 0.467 252 T N -4.558 109.995 114.554 -0.002 0.000 3.429 252 T HA 0.056 4.404 4.350 -0.005 0.000 0.212 252 T C 1.822 176.589 174.700 0.111 0.000 0.980 252 T CA 0.461 62.590 62.100 0.048 0.000 1.201 252 T CB -0.507 68.381 68.868 0.034 0.000 1.289 252 T HN -0.161 nan 8.240 nan 0.000 0.346 253 V N 2.550 122.528 119.914 0.108 0.000 2.324 253 V HA -0.182 3.935 4.120 -0.005 0.000 0.250 253 V C 2.935 179.140 176.094 0.184 0.000 1.060 253 V CA 1.932 64.345 62.300 0.189 0.000 1.042 253 V CB -1.069 30.838 31.823 0.141 0.000 0.650 253 V HN 0.458 nan 8.190 nan 0.000 0.450 254 V N 0.798 120.760 119.914 0.080 0.000 2.278 254 V HA -0.341 3.776 4.120 -0.005 0.000 0.251 254 V C 2.303 178.420 176.094 0.037 0.000 1.062 254 V CA 2.561 64.880 62.300 0.033 0.000 1.038 254 V CB -0.817 30.992 31.823 -0.023 0.000 0.646 254 V HN 0.632 nan 8.190 nan 0.000 0.447 255 N N -0.849 117.881 118.700 0.049 0.000 2.171 255 N HA -0.106 4.631 4.740 -0.005 0.000 0.184 255 N C 1.796 177.334 175.510 0.047 0.000 1.021 255 N CA 1.499 54.538 53.050 -0.017 0.000 0.854 255 N CB -0.402 38.098 38.487 0.021 0.000 0.994 255 N HN 0.535 nan 8.380 nan 0.000 0.426 256 F N 2.373 122.397 119.950 0.122 0.000 2.126 256 F HA -0.100 4.424 4.527 -0.005 0.000 0.299 256 F C 2.207 178.106 175.800 0.164 0.000 1.096 256 F CA 1.027 59.155 58.000 0.213 0.000 1.255 256 F CB -0.237 38.846 39.000 0.138 0.000 0.997 256 F HN -0.077 nan 8.300 nan 0.000 0.479 257 L N -0.648 120.649 121.223 0.123 0.000 2.043 257 L HA -0.305 4.032 4.340 -0.005 0.000 0.212 257 L C 2.550 179.459 176.870 0.065 0.000 1.075 257 L CA 1.612 56.539 54.840 0.145 0.000 0.752 257 L CB -0.906 41.381 42.059 0.380 0.000 0.891 257 L HN 0.129 nan 8.230 nan 0.000 0.432 258 S N -0.637 115.088 115.700 0.041 0.000 2.368 258 S HA -0.119 4.348 4.470 -0.005 0.000 0.224 258 S C 1.727 176.122 174.600 -0.342 0.000 1.029 258 S CA 1.205 59.367 58.200 -0.063 0.000 0.988 258 S CB -0.290 62.810 63.200 -0.167 0.000 0.838 258 S HN 0.232 nan 8.310 nan 0.000 0.462 259 F N 2.180 121.889 119.950 -0.402 0.000 2.134 259 F HA -0.082 4.442 4.527 -0.004 0.000 0.299 259 F C 2.741 177.976 175.800 -0.942 0.000 1.097 259 F CA 0.915 58.520 58.000 -0.659 0.000 1.264 259 F CB -0.928 37.680 39.000 -0.654 0.000 1.001 259 F HN 0.100 nan 8.300 nan 0.000 0.479 260 S N -0.224 115.082 115.700 -0.657 0.000 2.356 260 S HA -0.234 4.234 4.470 -0.005 0.000 0.223 260 S C 1.997 176.419 174.600 -0.297 0.000 1.032 260 S CA 1.431 59.339 58.200 -0.486 0.000 1.005 260 S CB -0.449 62.514 63.200 -0.394 0.000 0.867 260 S HN 0.237 nan 8.310 nan 0.000 0.449 261 M N 1.823 121.168 119.600 -0.426 0.000 2.175 261 M HA -0.024 4.453 4.480 -0.005 0.000 0.264 261 M C 1.952 178.048 176.300 -0.341 0.000 1.063 261 M CA 1.330 56.296 55.300 -0.557 0.000 1.119 261 M CB -0.504 31.301 32.600 -1.325 0.000 1.377 261 M HN 0.386 nan 8.290 nan 0.000 0.415 262 E N -1.026 118.995 120.200 -0.299 0.000 2.058 262 E HA -0.264 4.084 4.350 -0.005 0.000 0.194 262 E C 1.981 178.505 176.600 -0.127 0.000 0.997 262 E CA 1.574 57.876 56.400 -0.163 0.000 0.801 262 E CB -0.416 29.221 29.700 -0.105 0.000 0.746 262 E HN 0.536 nan 8.360 nan 0.000 0.450 263 F N 1.326 121.090 119.950 -0.311 0.000 2.046 263 F HA -0.200 4.324 4.527 -0.005 0.000 0.297 263 F C 2.026 177.739 175.800 -0.144 0.000 1.123 263 F CA 1.645 59.512 58.000 -0.221 0.000 1.199 263 F CB -0.248 38.600 39.000 -0.253 0.000 0.972 263 F HN -0.001 nan 8.300 nan 0.000 0.474 264 L N 0.278 121.439 121.223 -0.104 0.000 2.079 264 L HA -0.255 4.082 4.340 -0.005 0.000 0.210 264 L C 2.788 179.438 176.870 -0.367 0.000 1.081 264 L CA 1.146 55.882 54.840 -0.172 0.000 0.752 264 L CB -1.286 40.827 42.059 0.090 0.000 0.896 264 L HN 0.324 nan 8.230 nan 0.000 0.433 265 A N 0.037 122.728 122.820 -0.214 0.000 2.024 265 A HA -0.196 4.122 4.320 -0.005 0.000 0.220 265 A C 1.996 179.399 177.584 -0.302 0.000 1.164 265 A CA 1.574 53.455 52.037 -0.260 0.000 0.643 265 A CB -0.261 18.772 19.000 0.055 0.000 0.806 265 A HN 0.367 nan 8.150 nan 0.000 0.451 266 K N -0.210 119.991 120.400 -0.331 0.000 2.440 266 K HA 0.250 4.568 4.320 -0.005 0.000 0.206 266 K C -0.472 175.884 176.600 -0.406 0.000 1.025 266 K CA 0.138 56.242 56.287 -0.305 0.000 1.135 266 K CB 0.676 33.032 32.500 -0.241 0.000 0.856 266 K HN 0.208 nan 8.250 nan 0.000 0.502 267 S N 1.226 116.641 115.700 -0.475 0.000 2.359 267 S HA 0.183 4.650 4.470 -0.005 0.000 0.148 267 S C -2.326 172.157 174.600 -0.195 0.000 1.610 267 S CA -0.900 57.063 58.200 -0.394 0.000 1.274 267 S CB 0.991 63.704 63.200 -0.812 0.000 1.380 267 S HN -0.019 nan 8.310 nan 0.000 0.380 268 P HA -0.216 nan 4.420 nan 0.000 0.216 268 P C 1.116 178.385 177.300 -0.052 0.000 1.154 268 P CA 1.521 64.547 63.100 -0.123 0.000 0.865 268 P CB 0.150 31.788 31.700 -0.103 0.000 0.789 269 E N -1.469 118.707 120.200 -0.039 0.000 2.051 269 E HA -0.211 4.137 4.350 -0.005 0.000 0.192 269 E C 1.960 178.534 176.600 -0.044 0.000 0.991 269 E CA 1.494 57.862 56.400 -0.053 0.000 0.799 269 E CB -1.607 28.035 29.700 -0.096 0.000 0.748 269 E HN 0.440 nan 8.360 nan 0.000 0.449 270 H N 0.454 119.529 119.070 0.008 0.000 2.387 270 H HA 0.078 4.631 4.556 -0.005 0.000 0.299 270 H C 1.973 177.476 175.328 0.291 0.000 1.090 270 H CA 1.727 57.864 56.048 0.149 0.000 1.332 270 H CB 0.046 29.868 29.762 0.101 0.000 1.386 270 H HN 0.045 nan 8.280 nan 0.000 0.516 271 R N 0.257 120.893 120.500 0.226 0.000 2.075 271 R HA -0.114 4.223 4.340 -0.005 0.000 0.232 271 R C 2.019 178.393 176.300 0.122 0.000 1.126 271 R CA 1.072 57.268 56.100 0.160 0.000 0.963 271 R CB -0.051 30.262 30.300 0.021 0.000 0.858 271 R HN 0.396 nan 8.270 nan 0.000 0.435 272 Q N 0.947 120.793 119.800 0.076 0.000 2.170 272 Q HA -0.158 4.179 4.340 -0.005 0.000 0.203 272 Q C 1.783 177.827 176.000 0.074 0.000 0.976 272 Q CA 1.406 57.241 55.803 0.053 0.000 0.858 272 Q CB -0.068 28.683 28.738 0.022 0.000 0.907 272 Q HN 0.531 nan 8.270 nan 0.000 0.433 273 E N 0.252 120.522 120.200 0.116 0.000 2.072 273 E HA -0.093 4.254 4.350 -0.005 0.000 0.191 273 E C 2.075 178.743 176.600 0.113 0.000 0.985 273 E CA 0.687 57.167 56.400 0.133 0.000 0.801 273 E CB -0.029 29.811 29.700 0.233 0.000 0.750 273 E HN 0.292 nan 8.360 nan 0.000 0.452 274 L N 0.485 121.781 121.223 0.121 0.000 2.240 274 L HA -0.051 4.286 4.340 -0.005 0.000 0.211 274 L C 2.315 179.215 176.870 0.050 0.000 1.106 274 L CA 0.418 55.288 54.840 0.051 0.000 0.793 274 L CB -0.189 41.885 42.059 0.024 0.000 0.927 274 L HN 0.128 nan 8.230 nan 0.000 0.446 275 I N -0.084 120.524 120.570 0.064 0.000 2.233 275 I HA -0.225 3.942 4.170 -0.005 0.000 0.243 275 I C 2.425 178.564 176.117 0.038 0.000 1.093 275 I CA 1.155 62.485 61.300 0.050 0.000 1.380 275 I CB 0.034 38.064 38.000 0.050 0.000 1.067 275 I HN 0.181 nan 8.210 nan 0.000 0.413 276 E N 0.675 120.899 120.200 0.040 0.000 2.028 276 E HA -0.084 4.264 4.350 -0.005 0.000 0.191 276 E C 0.337 176.955 176.600 0.030 0.000 0.988 276 E CA 0.976 57.396 56.400 0.033 0.000 0.799 276 E CB 0.237 29.957 29.700 0.034 0.000 0.755 276 E HN 0.144 nan 8.360 nan 0.000 0.447 277 R N 0.141 120.661 120.500 0.034 0.000 2.477 277 R HA 0.214 4.551 4.340 -0.005 0.000 0.285 277 R C -2.344 173.967 176.300 0.019 0.000 1.415 277 R CA -1.938 54.178 56.100 0.027 0.000 1.446 277 R CB 0.381 30.699 30.300 0.031 0.000 1.110 277 R HN 0.080 nan 8.270 nan 0.000 0.590 278 P HA -0.186 nan 4.420 nan 0.000 0.221 278 P C 1.058 178.360 177.300 0.003 0.000 1.145 278 P CA 1.045 64.152 63.100 0.010 0.000 0.795 278 P CB 0.363 32.072 31.700 0.016 0.000 0.775 279 E N 0.138 120.343 120.200 0.009 0.000 2.463 279 E HA -0.171 4.177 4.350 -0.005 0.000 0.201 279 E C 1.223 177.824 176.600 0.000 0.000 1.045 279 E CA 0.902 57.308 56.400 0.009 0.000 0.872 279 E CB -0.655 29.053 29.700 0.014 0.000 0.797 279 E HN 0.381 nan 8.360 nan 0.000 0.538 280 R N 0.305 120.797 120.500 -0.013 0.000 2.317 280 R HA 0.275 4.612 4.340 -0.005 0.000 0.208 280 R C 2.227 178.463 176.300 -0.106 0.000 0.914 280 R CA 0.025 56.102 56.100 -0.038 0.000 1.060 280 R CB -0.094 30.192 30.300 -0.023 0.000 1.015 280 R HN 0.217 nan 8.270 nan 0.000 0.498 281 I N 1.751 122.271 120.570 -0.082 0.000 2.226 281 I HA -0.176 3.991 4.170 -0.005 0.000 0.245 281 I C -0.677 175.402 176.117 -0.064 0.000 1.100 281 I CA 1.372 62.613 61.300 -0.100 0.000 1.374 281 I CB -1.051 36.928 38.000 -0.035 0.000 1.057 281 I HN -0.002 nan 8.210 nan 0.000 0.413 282 P HA -0.140 nan 4.420 nan 0.000 0.217 282 P C 1.495 178.802 177.300 0.012 0.000 1.150 282 P CA 1.641 64.751 63.100 0.017 0.000 0.832 282 P CB 0.019 31.739 31.700 0.033 0.000 0.787 283 A N 0.126 122.941 122.820 -0.009 0.000 1.902 283 A HA -0.128 4.189 4.320 -0.005 0.000 0.217 283 A C 2.308 179.886 177.584 -0.011 0.000 1.181 283 A CA 2.070 54.115 52.037 0.014 0.000 0.623 283 A CB -1.635 17.379 19.000 0.024 0.000 0.818 283 A HN 0.180 nan 8.150 nan 0.000 0.443 284 A N -1.010 121.694 122.820 -0.193 0.000 1.940 284 A HA -0.226 4.091 4.320 -0.005 0.000 0.219 284 A C 2.399 179.932 177.584 -0.084 0.000 1.176 284 A CA 1.782 53.536 52.037 -0.471 0.000 0.631 284 A CB -1.433 16.855 19.000 -1.188 0.000 0.814 284 A HN 0.917 nan 8.150 nan 0.000 0.446 285 C N -0.648 118.645 119.300 -0.011 0.000 2.429 285 C HA -0.074 4.384 4.460 -0.005 0.000 0.277 285 C C 2.537 177.598 174.990 0.118 0.000 1.262 285 C CA 1.542 60.625 59.018 0.110 0.000 1.733 285 C CB -1.072 26.733 27.740 0.109 0.000 2.010 285 C HN 0.610 nan 8.230 nan 0.000 0.483 286 E N 0.671 120.930 120.200 0.099 0.000 2.077 286 E HA -0.178 4.169 4.350 -0.005 0.000 0.193 286 E C 2.007 178.664 176.600 0.095 0.000 0.989 286 E CA 1.595 58.062 56.400 0.112 0.000 0.800 286 E CB -0.626 29.165 29.700 0.151 0.000 0.746 286 E HN 0.800 nan 8.360 nan 0.000 0.452 287 E N 0.629 120.907 120.200 0.130 0.000 2.204 287 E HA -0.085 4.262 4.350 -0.005 0.000 0.194 287 E C 2.063 178.699 176.600 0.059 0.000 0.989 287 E CA 0.642 57.113 56.400 0.117 0.000 0.824 287 E CB -0.192 29.649 29.700 0.236 0.000 0.756 287 E HN 0.193 nan 8.360 nan 0.000 0.477 288 L N -0.334 120.995 121.223 0.176 0.000 2.131 288 L HA -0.022 4.315 4.340 -0.005 0.000 0.206 288 L C 2.356 179.482 176.870 0.427 0.000 1.087 288 L CA 0.490 55.506 54.840 0.294 0.000 0.767 288 L CB -0.244 42.072 42.059 0.428 0.000 0.917 288 L HN 0.204 nan 8.230 nan 0.000 0.441 289 L N -0.430 120.899 121.223 0.177 0.000 2.083 289 L HA -0.220 4.117 4.340 -0.005 0.000 0.209 289 L C 2.848 179.486 176.870 -0.387 0.000 1.083 289 L CA 1.183 55.806 54.840 -0.362 0.000 0.752 289 L CB -0.416 41.267 42.059 -0.628 0.000 0.899 289 L HN 0.277 nan 8.230 nan 0.000 0.433 290 R N 0.275 120.606 120.500 -0.282 0.000 2.064 290 R HA -0.212 4.126 4.340 -0.005 0.000 0.228 290 R C 2.486 178.620 176.300 -0.276 0.000 1.144 290 R CA 1.607 57.559 56.100 -0.247 0.000 0.932 290 R CB -0.169 30.097 30.300 -0.057 0.000 0.833 290 R HN 0.047 nan 8.270 nan 0.000 0.429 291 R N 0.103 120.390 120.500 -0.356 0.000 2.105 291 R HA -0.097 4.240 4.340 -0.005 0.000 0.239 291 R C 0.720 176.482 176.300 -0.896 0.000 1.135 291 R CA 1.651 57.344 56.100 -0.678 0.000 0.967 291 R CB -0.332 29.382 30.300 -0.976 0.000 0.861 291 R HN 0.287 nan 8.270 nan 0.000 0.442 292 F N 0.370 120.239 119.950 -0.136 0.000 2.925 292 F HA 0.384 4.908 4.527 -0.004 0.000 0.302 292 F C 0.456 176.151 175.800 -0.176 0.000 1.189 292 F CA -0.570 57.292 58.000 -0.229 0.000 1.346 292 F CB 0.305 39.164 39.000 -0.235 0.000 0.954 292 F HN -0.128 nan 8.300 nan 0.000 0.506 293 S N 1.702 117.287 115.700 -0.192 0.000 2.558 293 S HA 0.155 4.622 4.470 -0.005 0.000 0.287 293 S C 0.898 175.311 174.600 -0.312 0.000 1.321 293 S CA 0.096 58.132 58.200 -0.273 0.000 1.048 293 S CB 0.454 63.462 63.200 -0.319 0.000 0.844 293 S HN 0.591 nan 8.310 nan 0.000 0.512 294 L N 1.967 123.023 121.223 -0.277 0.000 3.515 294 L HA 0.542 4.879 4.340 -0.005 0.000 0.322 294 L C -0.832 175.870 176.870 -0.280 0.000 1.225 294 L CA -0.500 54.177 54.840 -0.272 0.000 1.104 294 L CB 0.164 42.209 42.059 -0.024 0.000 1.506 294 L HN 0.335 nan 8.230 nan 0.000 0.624 295 V N 1.826 121.567 119.914 -0.288 0.000 2.612 295 V HA 0.859 4.976 4.120 -0.005 0.000 0.301 295 V C 0.299 176.190 176.094 -0.338 0.000 1.046 295 V CA 0.080 62.225 62.300 -0.259 0.000 0.946 295 V CB 1.432 33.152 31.823 -0.172 0.000 1.003 295 V HN 0.342 nan 8.190 nan 0.000 0.459 296 A N 3.108 125.737 122.820 -0.319 0.000 2.667 296 A HA 0.665 4.982 4.320 -0.005 0.000 0.291 296 A C -0.806 176.646 177.584 -0.219 0.000 1.123 296 A CA -0.611 51.260 52.037 -0.277 0.000 0.832 296 A CB 0.655 19.384 19.000 -0.452 0.000 1.396 296 A HN 0.866 nan 8.150 nan 0.000 0.401 297 D N 1.268 121.591 120.400 -0.128 0.000 2.784 297 D HA 0.867 5.504 4.640 -0.005 0.000 0.256 297 D C 0.482 176.773 176.300 -0.016 0.000 1.129 297 D CA 0.073 53.971 54.000 -0.169 0.000 1.102 297 D CB 1.119 41.821 40.800 -0.163 0.000 1.330 297 D HN 0.970 nan 8.370 nan 0.000 0.626 298 G N -1.696 107.105 108.800 0.001 0.000 2.588 298 G HA2 0.535 4.492 3.960 -0.005 0.000 0.281 298 G HA3 0.535 4.492 3.960 -0.005 0.000 0.281 298 G C -1.118 173.791 174.900 0.016 0.000 1.223 298 G CA -0.673 44.428 45.100 0.002 0.000 0.871 298 G HN 0.456 nan 8.290 nan 0.000 0.492 299 R N -1.244 119.262 120.500 0.009 0.000 2.885 299 R HA 0.693 5.031 4.340 -0.005 0.000 0.260 299 R C -1.420 174.946 176.300 0.109 0.000 1.107 299 R CA -0.780 55.362 56.100 0.070 0.000 0.978 299 R CB 1.467 31.843 30.300 0.126 0.000 1.227 299 R HN 0.614 nan 8.270 nan 0.000 0.473 300 I N 1.208 121.847 120.570 0.114 0.000 2.545 300 I HA 0.278 4.446 4.170 -0.005 0.000 0.292 300 I C -0.735 175.427 176.117 0.076 0.000 1.040 300 I CA -0.999 60.369 61.300 0.114 0.000 1.068 300 I CB 1.389 39.437 38.000 0.080 0.000 1.251 300 I HN 0.217 nan 8.210 nan 0.000 0.424 301 L N 6.610 127.878 121.223 0.076 0.000 2.462 301 L HA 0.107 4.444 4.340 -0.005 0.000 0.272 301 L C 1.584 178.429 176.870 -0.042 0.000 1.166 301 L CA 0.506 55.315 54.840 -0.052 0.000 0.880 301 L CB 1.063 43.136 42.059 0.024 0.000 1.142 301 L HN 0.817 nan 8.230 nan 0.000 0.473 302 T N -1.328 113.159 114.554 -0.111 0.000 3.014 302 T HA 0.028 4.376 4.350 -0.005 0.000 0.263 302 T C 0.773 175.445 174.700 -0.046 0.000 1.078 302 T CA 0.541 62.597 62.100 -0.074 0.000 1.135 302 T CB 0.161 68.957 68.868 -0.120 0.000 0.895 302 T HN 0.637 nan 8.240 nan 0.000 0.480 303 S N -0.155 115.525 115.700 -0.034 0.000 2.615 303 S HA 0.445 4.913 4.470 -0.005 0.000 0.269 303 S C -2.069 172.559 174.600 0.046 0.000 1.161 303 S CA -1.181 57.026 58.200 0.011 0.000 0.817 303 S CB 1.054 64.264 63.200 0.017 0.000 1.131 303 S HN 0.060 nan 8.310 nan 0.000 0.467 304 D N 1.313 121.741 120.400 0.047 0.000 2.487 304 D HA 0.369 5.006 4.640 -0.005 0.000 0.243 304 D C -0.868 175.509 176.300 0.129 0.000 1.154 304 D CA 1.155 55.189 54.000 0.056 0.000 0.876 304 D CB -0.106 40.708 40.800 0.024 0.000 1.161 304 D HN 0.533 nan 8.370 nan 0.000 0.478 305 Y N 0.715 120.960 120.300 -0.092 0.000 2.442 305 Y HA 0.170 4.718 4.550 -0.003 0.000 0.330 305 Y C -1.020 174.822 175.900 -0.097 0.000 1.100 305 Y CA -0.989 57.012 58.100 -0.166 0.000 1.034 305 Y CB 1.380 39.610 38.460 -0.383 0.000 1.285 305 Y HN 0.312 nan 8.280 nan 0.000 0.440 306 E N 6.073 125.956 120.200 -0.528 0.000 2.167 306 E HA 0.350 4.697 4.350 -0.005 0.000 0.284 306 E C -1.974 174.229 176.600 -0.661 0.000 1.016 306 E CA -0.480 55.666 56.400 -0.422 0.000 0.817 306 E CB 0.706 30.247 29.700 -0.264 0.000 1.080 306 E HN 0.490 nan 8.360 nan 0.000 0.397 307 F N 5.287 124.921 119.950 -0.528 0.000 2.536 307 F HA 0.250 4.775 4.527 -0.004 0.000 0.322 307 F C -0.419 175.329 175.800 -0.087 0.000 1.144 307 F CA -0.569 57.236 58.000 -0.325 0.000 0.924 307 F CB 0.705 39.658 39.000 -0.077 0.000 1.181 307 F HN 0.674 nan 8.300 nan 0.000 0.438 308 H N 4.302 123.060 119.070 -0.520 0.000 2.604 308 H HA -0.192 4.361 4.556 -0.005 0.000 0.321 308 H C 1.394 176.581 175.328 -0.236 0.000 1.132 308 H CA 1.094 56.884 56.048 -0.430 0.000 1.129 308 H CB -1.034 28.377 29.762 -0.584 0.000 1.526 308 H HN 1.226 nan 8.280 nan 0.000 0.415 309 G N -0.927 107.776 108.800 -0.162 0.000 2.189 309 G HA2 -0.322 3.636 3.960 -0.005 0.000 0.267 309 G HA3 -0.322 3.636 3.960 -0.005 0.000 0.267 309 G C 0.271 175.138 174.900 -0.054 0.000 0.975 309 G CA 0.395 45.440 45.100 -0.092 0.000 0.644 309 G HN 0.495 nan 8.290 nan 0.000 0.537 310 V N 1.380 121.248 119.914 -0.078 0.000 2.495 310 V HA 0.472 4.589 4.120 -0.005 0.000 0.298 310 V C -0.053 175.970 176.094 -0.119 0.000 1.031 310 V CA -1.085 61.163 62.300 -0.088 0.000 0.871 310 V CB 1.913 33.634 31.823 -0.171 0.000 0.988 310 V HN 0.273 nan 8.190 nan 0.000 0.432 311 Q N 4.959 124.741 119.800 -0.031 0.000 2.344 311 Q HA 0.430 4.767 4.340 -0.005 0.000 0.253 311 Q C -0.710 175.337 176.000 0.079 0.000 1.050 311 Q CA 0.106 55.918 55.803 0.016 0.000 0.912 311 Q CB 1.088 29.875 28.738 0.082 0.000 1.258 311 Q HN 0.561 nan 8.270 nan 0.000 0.443 312 L N 2.306 123.527 121.223 -0.002 0.000 2.343 312 L HA 0.486 4.823 4.340 -0.005 0.000 0.275 312 L C 0.334 177.278 176.870 0.123 0.000 1.056 312 L CA -0.935 53.962 54.840 0.094 0.000 0.804 312 L CB 0.723 42.766 42.059 -0.027 0.000 1.203 312 L HN 0.145 nan 8.230 nan 0.000 0.440 313 K N 1.736 122.230 120.400 0.157 0.000 2.203 313 K HA 0.320 4.637 4.320 -0.005 0.000 0.251 313 K C -0.609 176.030 176.600 0.065 0.000 0.944 313 K CA -0.953 55.319 56.287 -0.024 0.000 0.829 313 K CB 1.790 34.061 32.500 -0.382 0.000 1.125 313 K HN 0.380 nan 8.250 nan 0.000 0.430 314 K N 0.276 120.691 120.400 0.026 0.000 2.524 314 K HA 0.052 4.369 4.320 -0.005 0.000 0.279 314 K C 0.727 177.369 176.600 0.070 0.000 0.993 314 K CA 1.595 57.905 56.287 0.039 0.000 1.030 314 K CB -0.105 32.405 32.500 0.017 0.000 0.891 314 K HN 0.723 nan 8.250 nan 0.000 0.488 315 G N 2.954 111.809 108.800 0.092 0.000 2.268 315 G HA2 -0.225 3.732 3.960 -0.005 0.000 0.240 315 G HA3 -0.225 3.732 3.960 -0.005 0.000 0.240 315 G C -0.376 174.643 174.900 0.199 0.000 1.010 315 G CA 0.187 45.360 45.100 0.121 0.000 0.618 315 G HN 0.741 nan 8.290 nan 0.000 0.516 316 D N 1.770 122.340 120.400 0.283 0.000 2.455 316 D HA 0.412 5.050 4.640 -0.005 0.000 0.241 316 D C 0.841 177.385 176.300 0.408 0.000 1.138 316 D CA 0.529 54.811 54.000 0.471 0.000 0.877 316 D CB 0.594 41.847 40.800 0.755 0.000 1.187 316 D HN 0.507 nan 8.370 nan 0.000 0.451 317 Q N 1.033 121.055 119.800 0.370 0.000 2.230 317 Q HA 0.589 4.927 4.340 -0.005 0.000 0.248 317 Q C -0.366 175.844 176.000 0.349 0.000 0.915 317 Q CA -0.579 55.376 55.803 0.254 0.000 0.900 317 Q CB 2.294 31.099 28.738 0.111 0.000 1.229 317 Q HN 0.469 nan 8.270 nan 0.000 0.439 318 I N 2.841 123.562 120.570 0.252 0.000 2.468 318 I HA 0.218 4.385 4.170 -0.005 0.000 0.285 318 I C -1.559 174.601 176.117 0.072 0.000 1.039 318 I CA -0.997 60.461 61.300 0.262 0.000 1.074 318 I CB 1.172 39.322 38.000 0.250 0.000 1.228 318 I HN 0.491 nan 8.210 nan 0.000 0.436 319 L N 8.345 129.616 121.223 0.080 0.000 2.360 319 L HA 0.373 4.711 4.340 -0.005 0.000 0.276 319 L C -1.011 175.854 176.870 -0.008 0.000 1.121 319 L CA 0.368 55.207 54.840 -0.001 0.000 0.845 319 L CB 0.683 42.770 42.059 0.047 0.000 1.143 319 L HN 0.536 nan 8.230 nan 0.000 0.452 320 L N 7.623 128.811 121.223 -0.059 0.000 2.502 320 L HA 0.368 4.705 4.340 -0.005 0.000 0.247 320 L C -2.176 174.734 176.870 0.067 0.000 1.180 320 L CA -1.767 53.010 54.840 -0.106 0.000 0.956 320 L CB 0.780 42.525 42.059 -0.524 0.000 1.282 320 L HN 0.494 nan 8.230 nan 0.000 0.470 321 P HA -0.001 nan 4.420 nan 0.000 0.256 321 P C 0.309 177.576 177.300 -0.055 0.000 1.189 321 P CA 0.239 63.310 63.100 -0.049 0.000 0.808 321 P CB 0.698 32.384 31.700 -0.024 0.000 0.793 322 Q N 2.740 122.502 119.800 -0.065 0.000 2.170 322 Q HA -0.168 4.169 4.340 -0.005 0.000 0.203 322 Q C 1.917 177.818 176.000 -0.165 0.000 0.976 322 Q CA 1.491 57.246 55.803 -0.080 0.000 0.858 322 Q CB -0.452 28.203 28.738 -0.140 0.000 0.907 322 Q HN 0.531 nan 8.270 nan 0.000 0.433 323 M N -0.273 119.166 119.600 -0.269 0.000 2.159 323 M HA -0.195 4.282 4.480 -0.005 0.000 0.263 323 M C 1.535 177.692 176.300 -0.239 0.000 1.063 323 M CA 1.490 56.595 55.300 -0.325 0.000 1.110 323 M CB -0.013 32.272 32.600 -0.525 0.000 1.374 323 M HN 0.289 nan 8.290 nan 0.000 0.411 324 L N -0.148 120.964 121.223 -0.185 0.000 2.046 324 L HA -0.195 4.143 4.340 -0.005 0.000 0.208 324 L C 2.505 179.313 176.870 -0.102 0.000 1.077 324 L CA 1.380 56.149 54.840 -0.119 0.000 0.747 324 L CB -0.768 41.244 42.059 -0.078 0.000 0.896 324 L HN 0.381 nan 8.230 nan 0.000 0.432 325 S N 0.377 116.023 115.700 -0.090 0.000 2.380 325 S HA -0.259 4.208 4.470 -0.005 0.000 0.229 325 S C 1.921 176.477 174.600 -0.074 0.000 1.050 325 S CA 1.696 59.849 58.200 -0.078 0.000 1.100 325 S CB -1.031 62.128 63.200 -0.069 0.000 0.984 325 S HN 0.637 nan 8.310 nan 0.000 0.434 326 G N 0.634 109.392 108.800 -0.070 0.000 2.484 326 G HA2 0.021 3.978 3.960 -0.005 0.000 0.218 326 G HA3 0.021 3.978 3.960 -0.005 0.000 0.218 326 G C 1.153 175.999 174.900 -0.089 0.000 1.130 326 G CA 0.316 45.381 45.100 -0.058 0.000 0.784 326 G HN 0.477 nan 8.290 nan 0.000 0.543 327 L N 0.249 121.406 121.223 -0.109 0.000 2.558 327 L HA 0.185 4.522 4.340 -0.005 0.000 0.225 327 L C 0.615 177.437 176.870 -0.080 0.000 1.128 327 L CA -0.329 54.446 54.840 -0.109 0.000 0.868 327 L CB 0.047 42.034 42.059 -0.119 0.000 1.006 327 L HN 0.001 nan 8.230 nan 0.000 0.454 328 D N 1.672 122.027 120.400 -0.075 0.000 2.401 328 D HA -0.089 4.548 4.640 -0.005 0.000 0.254 328 D C 1.293 177.560 176.300 -0.055 0.000 1.192 328 D CA 0.094 54.054 54.000 -0.067 0.000 0.885 328 D CB 1.067 41.825 40.800 -0.071 0.000 1.147 328 D HN 0.384 nan 8.370 nan 0.000 0.478 329 E N 3.563 123.734 120.200 -0.048 0.000 2.338 329 E HA -0.170 4.178 4.350 -0.005 0.000 0.197 329 E C 0.998 177.577 176.600 -0.036 0.000 1.007 329 E CA 0.560 56.938 56.400 -0.038 0.000 0.849 329 E CB 0.026 29.707 29.700 -0.032 0.000 0.774 329 E HN 0.435 nan 8.360 nan 0.000 0.506 330 R N 0.415 120.890 120.500 -0.041 0.000 2.276 330 R HA 0.053 4.390 4.340 -0.005 0.000 0.203 330 R C 1.579 177.856 176.300 -0.038 0.000 1.017 330 R CA 0.890 56.967 56.100 -0.038 0.000 1.010 330 R CB 0.130 30.404 30.300 -0.043 0.000 0.900 330 R HN 0.351 nan 8.270 nan 0.000 0.469 331 E N 0.008 120.183 120.200 -0.042 0.000 2.206 331 E HA 0.101 4.448 4.350 -0.005 0.000 0.195 331 E C -0.041 176.539 176.600 -0.032 0.000 0.935 331 E CA 0.306 56.681 56.400 -0.041 0.000 0.875 331 E CB 0.482 30.152 29.700 -0.050 0.000 0.841 331 E HN 0.215 nan 8.360 nan 0.000 0.477 332 N N 0.895 119.576 118.700 -0.032 0.000 2.461 332 N HA 0.346 5.083 4.740 -0.005 0.000 0.284 332 N C -0.995 174.503 175.510 -0.021 0.000 1.049 332 N CA -0.170 52.866 53.050 -0.024 0.000 0.889 332 N CB 2.145 40.616 38.487 -0.027 0.000 1.365 332 N HN -0.011 nan 8.380 nan 0.000 0.499 333 A N 0.888 123.700 122.820 -0.014 0.000 2.425 333 A HA 0.242 4.559 4.320 -0.005 0.000 0.242 333 A C 1.210 178.790 177.584 -0.006 0.000 1.077 333 A CA -0.091 51.938 52.037 -0.013 0.000 0.781 333 A CB -0.279 18.713 19.000 -0.012 0.000 1.020 333 A HN 1.307 nan 8.150 nan 0.000 0.494 334 C N -1.149 118.147 119.300 -0.007 0.000 4.028 334 C HA -0.121 4.336 4.460 -0.005 0.000 0.300 334 C C -0.217 174.784 174.990 0.018 0.000 1.399 334 C CA -0.393 58.630 59.018 0.008 0.000 2.051 334 C CB -2.963 24.779 27.740 0.003 0.000 1.318 334 C HN 0.824 nan 8.230 nan 0.000 0.696 335 P HA -0.231 nan 4.420 nan 0.000 0.217 335 P C 1.570 178.820 177.300 -0.083 0.000 1.151 335 P CA 2.155 65.225 63.100 -0.050 0.000 0.849 335 P CB -0.063 31.602 31.700 -0.058 0.000 0.787 336 M N -1.977 117.591 119.600 -0.054 0.000 2.595 336 M HA 0.033 4.510 4.480 -0.005 0.000 0.248 336 M C 0.826 177.085 176.300 -0.067 0.000 1.119 336 M CA 0.310 55.561 55.300 -0.082 0.000 1.079 336 M CB -1.760 30.823 32.600 -0.028 0.000 1.472 336 M HN 0.047 nan 8.290 nan 0.000 0.501 337 H N 0.640 119.653 119.070 -0.096 0.000 2.620 337 H HA 0.341 4.895 4.556 -0.005 0.000 0.313 337 H C -0.843 174.403 175.328 -0.136 0.000 1.075 337 H CA -0.257 55.748 56.048 -0.072 0.000 1.397 337 H CB 0.836 30.582 29.762 -0.026 0.000 1.446 337 H HN -0.175 nan 8.280 nan 0.000 0.493 338 V N 5.968 125.452 119.914 -0.716 0.000 2.439 338 V HA 0.055 4.173 4.120 -0.005 0.000 0.271 338 V C 0.090 175.900 176.094 -0.474 0.000 1.040 338 V CA 0.057 61.969 62.300 -0.645 0.000 1.002 338 V CB 0.547 31.757 31.823 -1.022 0.000 1.000 338 V HN 0.800 nan 8.190 nan 0.000 0.477 339 D N 4.649 124.963 120.400 -0.142 0.000 2.454 339 D HA 0.308 4.945 4.640 -0.005 0.000 0.247 339 D C 0.509 176.899 176.300 0.150 0.000 1.129 339 D CA -0.592 53.444 54.000 0.060 0.000 0.877 339 D CB 0.962 41.871 40.800 0.182 0.000 1.082 339 D HN 0.242 nan 8.370 nan 0.000 0.537 340 F N 1.434 121.466 119.950 0.136 0.000 2.408 340 F HA -0.051 4.473 4.527 -0.005 0.000 0.300 340 F C 2.254 178.101 175.800 0.078 0.000 1.090 340 F CA 0.525 58.589 58.000 0.107 0.000 1.427 340 F CB -0.402 38.678 39.000 0.133 0.000 1.070 340 F HN 0.296 nan 8.300 nan 0.000 0.549 341 S N -1.179 114.669 115.700 0.245 0.000 2.556 341 S HA 0.056 4.523 4.470 -0.005 0.000 0.216 341 S C 0.857 175.526 174.600 0.116 0.000 0.970 341 S CA -0.529 57.764 58.200 0.154 0.000 0.912 341 S CB -0.179 63.092 63.200 0.117 0.000 0.790 341 S HN 0.179 nan 8.310 nan 0.000 0.504 342 R N 2.290 122.864 120.500 0.122 0.000 2.504 342 R HA -0.098 4.240 4.340 -0.005 0.000 0.302 342 R C 1.117 177.458 176.300 0.068 0.000 0.893 342 R CA 0.389 56.541 56.100 0.086 0.000 1.138 342 R CB 0.257 30.606 30.300 0.080 0.000 0.880 342 R HN 0.212 nan 8.270 nan 0.000 0.415 343 Q N 2.382 122.212 119.800 0.050 0.000 2.084 343 Q HA -0.143 4.194 4.340 -0.005 0.000 0.202 343 Q C 0.212 176.231 176.000 0.031 0.000 0.978 343 Q CA 1.608 57.434 55.803 0.039 0.000 0.844 343 Q CB -0.021 28.734 28.738 0.028 0.000 0.898 343 Q HN 0.291 nan 8.270 nan 0.000 0.426 344 K N 0.521 120.935 120.400 0.023 0.000 2.572 344 K HA 0.251 4.569 4.320 -0.005 0.000 0.244 344 K C -1.519 175.086 176.600 0.009 0.000 0.965 344 K CA -0.401 55.893 56.287 0.011 0.000 0.943 344 K CB 1.231 33.731 32.500 0.000 0.000 1.154 344 K HN -0.259 nan 8.250 nan 0.000 0.447 345 V N 3.334 123.258 119.914 0.017 0.000 2.313 345 V HA 0.172 4.289 4.120 -0.005 0.000 0.252 345 V C 0.197 176.277 176.094 -0.023 0.000 1.112 345 V CA -0.454 61.865 62.300 0.032 0.000 0.984 345 V CB 0.353 32.229 31.823 0.088 0.000 1.157 345 V HN 0.737 nan 8.190 nan 0.000 0.493 346 S N 5.263 120.942 115.700 -0.034 0.000 2.439 346 S HA 0.514 4.982 4.470 -0.005 0.000 0.282 346 S C -0.348 174.225 174.600 -0.044 0.000 1.170 346 S CA -0.408 57.742 58.200 -0.084 0.000 1.054 346 S CB -0.181 62.984 63.200 -0.059 0.000 0.956 346 S HN 1.037 nan 8.310 nan 0.000 0.490 347 H N 0.452 119.487 119.070 -0.059 0.000 2.990 347 H HA 0.601 5.154 4.556 -0.005 0.000 0.336 347 H C -0.285 174.996 175.328 -0.078 0.000 1.306 347 H CA -0.460 55.532 56.048 -0.093 0.000 1.118 347 H CB 0.890 30.576 29.762 -0.128 0.000 1.856 347 H HN 0.262 nan 8.280 nan 0.000 0.538 348 T N -2.419 112.233 114.554 0.163 0.000 3.487 348 T HA 0.170 4.517 4.350 -0.005 0.000 0.287 348 T C 0.415 175.123 174.700 0.013 0.000 1.004 348 T CA 0.089 62.249 62.100 0.101 0.000 0.977 348 T CB -0.545 68.322 68.868 -0.002 0.000 1.180 348 T HN 0.605 nan 8.240 nan 0.000 0.490 349 T N 1.386 115.912 114.554 -0.046 0.000 2.759 349 T HA 0.026 4.374 4.350 -0.005 0.000 0.269 349 T C 0.549 174.966 174.700 -0.472 0.000 1.042 349 T CA 1.280 63.111 62.100 -0.448 0.000 1.140 349 T CB -0.392 67.924 68.868 -0.920 0.000 0.864 349 T HN 0.477 nan 8.240 nan 0.000 0.455 350 F N 1.294 121.202 119.950 -0.070 0.000 2.664 350 F HA 0.450 4.974 4.527 -0.005 0.000 0.301 350 F C 1.645 177.396 175.800 -0.082 0.000 1.126 350 F CA -0.198 57.751 58.000 -0.085 0.000 1.373 350 F CB -0.639 38.318 39.000 -0.071 0.000 1.042 350 F HN 0.311 nan 8.300 nan 0.000 0.535 351 G N -0.156 108.649 108.800 0.007 0.000 2.627 351 G HA2 -0.072 3.885 3.960 -0.005 0.000 0.214 351 G HA3 -0.072 3.885 3.960 -0.005 0.000 0.214 351 G C -1.512 173.379 174.900 -0.016 0.000 1.331 351 G CA -0.722 44.307 45.100 -0.118 0.000 0.891 351 G HN 0.474 nan 8.290 nan 0.000 0.539 352 H N -1.050 117.860 119.070 -0.266 0.000 3.094 352 H HA 0.682 5.236 4.556 -0.005 0.000 0.346 352 H C 0.544 175.868 175.328 -0.007 0.000 1.238 352 H CA 1.874 57.865 56.048 -0.095 0.000 1.209 352 H CB 1.328 31.079 29.762 -0.019 0.000 1.911 352 H HN 2.627 nan 8.280 nan 0.000 0.540 353 G N 0.996 109.524 108.800 -0.453 0.000 2.508 353 G HA2 -0.227 3.731 3.960 -0.005 0.000 0.220 353 G HA3 -0.227 3.731 3.960 -0.005 0.000 0.220 353 G C 1.017 175.888 174.900 -0.048 0.000 1.287 353 G CA 0.496 45.527 45.100 -0.116 0.000 0.916 353 G HN 1.342 nan 8.290 nan 0.000 0.574 354 S N -0.985 114.732 115.700 0.029 0.000 2.515 354 S HA 0.023 4.490 4.470 -0.005 0.000 0.231 354 S C 1.256 175.758 174.600 -0.164 0.000 0.987 354 S CA 1.655 59.805 58.200 -0.083 0.000 0.936 354 S CB -0.187 62.913 63.200 -0.166 0.000 0.766 354 S HN 0.716 nan 8.310 nan 0.000 0.528 355 H N 0.632 119.694 119.070 -0.012 0.000 2.537 355 H HA 0.356 4.910 4.556 -0.005 0.000 0.295 355 H C -0.395 174.914 175.328 -0.033 0.000 1.054 355 H CA -0.523 55.522 56.048 -0.005 0.000 1.156 355 H CB -0.069 29.707 29.762 0.024 0.000 1.468 355 H HN 0.293 nan 8.280 nan 0.000 0.551 356 L N 1.298 122.534 121.223 0.021 0.000 2.578 356 L HA -0.124 4.213 4.340 -0.005 0.000 0.279 356 L C 0.898 177.766 176.870 -0.002 0.000 1.227 356 L CA 0.482 55.322 54.840 0.000 0.000 0.900 356 L CB -0.189 41.851 42.059 -0.031 0.000 1.144 356 L HN 0.370 nan 8.230 nan 0.000 0.496 357 C N 5.471 124.782 119.300 0.019 0.000 2.419 357 C HA -0.042 4.416 4.460 -0.005 0.000 0.398 357 C C 1.938 176.830 174.990 -0.162 0.000 1.498 357 C CA -0.307 58.697 59.018 -0.024 0.000 1.494 357 C CB -1.158 26.617 27.740 0.058 0.000 2.485 357 C HN 0.775 nan 8.230 nan 0.000 0.608 358 L N 5.112 126.275 121.223 -0.100 0.000 2.492 358 L HA 0.157 4.494 4.340 -0.005 0.000 0.223 358 L C 2.351 179.125 176.870 -0.161 0.000 1.132 358 L CA 1.167 55.940 54.840 -0.112 0.000 0.850 358 L CB -0.375 41.672 42.059 -0.020 0.000 0.966 358 L HN 0.974 nan 8.230 nan 0.000 0.454 359 G N -0.570 108.125 108.800 -0.175 0.000 3.088 359 G HA2 -0.066 3.892 3.960 -0.005 0.000 0.217 359 G HA3 -0.066 3.892 3.960 -0.005 0.000 0.217 359 G C 1.392 176.099 174.900 -0.321 0.000 1.159 359 G CA 0.059 45.065 45.100 -0.158 0.000 0.760 359 G HN 0.491 nan 8.290 nan 0.000 0.550 360 Q N 0.148 119.546 119.800 -0.671 0.000 2.112 360 Q HA -0.246 4.091 4.340 -0.005 0.000 0.206 360 Q C 1.873 177.434 176.000 -0.731 0.000 0.987 360 Q CA 1.601 56.637 55.803 -1.278 0.000 0.858 360 Q CB -0.628 26.953 28.738 -1.928 0.000 0.905 360 Q HN 0.461 nan 8.270 nan 0.000 0.420 361 H N 0.502 119.388 119.070 -0.307 0.000 2.321 361 H HA -0.087 4.467 4.556 -0.004 0.000 0.300 361 H C 2.233 177.513 175.328 -0.081 0.000 1.087 361 H CA 1.465 57.421 56.048 -0.153 0.000 1.319 361 H CB -0.389 29.312 29.762 -0.100 0.000 1.379 361 H HN 0.282 nan 8.280 nan 0.000 0.501 362 L N 1.210 122.448 121.223 0.025 0.000 2.046 362 L HA -0.075 4.262 4.340 -0.005 0.000 0.208 362 L C 2.522 179.414 176.870 0.036 0.000 1.077 362 L CA 1.803 56.663 54.840 0.033 0.000 0.747 362 L CB -0.901 41.171 42.059 0.022 0.000 0.896 362 L HN 0.196 nan 8.230 nan 0.000 0.432 363 A N -0.466 122.353 122.820 -0.001 0.000 1.902 363 A HA -0.202 4.115 4.320 -0.005 0.000 0.217 363 A C 2.429 180.095 177.584 0.137 0.000 1.181 363 A CA 1.718 53.802 52.037 0.079 0.000 0.623 363 A CB -0.526 18.552 19.000 0.130 0.000 0.818 363 A HN 0.494 nan 8.150 nan 0.000 0.443 364 R N -1.278 119.282 120.500 0.101 0.000 2.081 364 R HA -0.109 4.228 4.340 -0.005 0.000 0.235 364 R C 2.451 178.840 176.300 0.150 0.000 1.131 364 R CA 1.460 57.643 56.100 0.138 0.000 0.960 364 R CB -0.317 30.052 30.300 0.114 0.000 0.856 364 R HN 0.378 nan 8.270 nan 0.000 0.436 365 R N 1.464 122.042 120.500 0.131 0.000 2.094 365 R HA -0.159 4.178 4.340 -0.005 0.000 0.239 365 R C 1.934 178.362 176.300 0.213 0.000 1.137 365 R CA 1.875 58.062 56.100 0.145 0.000 0.943 365 R CB -0.336 30.034 30.300 0.117 0.000 0.850 365 R HN 0.307 nan 8.270 nan 0.000 0.433 366 E N -0.542 119.801 120.200 0.238 0.000 2.118 366 E HA -0.203 4.145 4.350 -0.005 0.000 0.195 366 E C 2.003 178.883 176.600 0.468 0.000 0.992 366 E CA 1.551 58.194 56.400 0.405 0.000 0.804 366 E CB -0.178 29.680 29.700 0.263 0.000 0.741 366 E HN 0.385 nan 8.360 nan 0.000 0.458 367 I N 0.589 121.361 120.570 0.337 0.000 2.162 367 I HA -0.240 3.927 4.170 -0.005 0.000 0.238 367 I C 2.375 178.630 176.117 0.231 0.000 1.076 367 I CA 0.915 62.406 61.300 0.317 0.000 1.353 367 I CB -0.187 38.004 38.000 0.319 0.000 1.063 367 I HN 0.056 nan 8.210 nan 0.000 0.408 368 I N 0.165 120.847 120.570 0.187 0.000 2.208 368 I HA -0.281 3.887 4.170 -0.005 0.000 0.245 368 I C 2.530 178.722 176.117 0.125 0.000 1.097 368 I CA 1.262 62.641 61.300 0.131 0.000 1.363 368 I CB -0.276 37.789 38.000 0.110 0.000 1.051 368 I HN 0.035 nan 8.210 nan 0.000 0.413 369 V N 0.344 120.355 119.914 0.162 0.000 2.295 369 V HA -0.294 3.823 4.120 -0.005 0.000 0.246 369 V C 2.476 178.631 176.094 0.102 0.000 1.049 369 V CA 2.488 64.877 62.300 0.148 0.000 1.024 369 V CB -0.810 31.147 31.823 0.223 0.000 0.648 369 V HN 0.477 nan 8.190 nan 0.000 0.447 370 T N 0.516 115.140 114.554 0.117 0.000 2.622 370 T HA -0.213 4.135 4.350 -0.005 0.000 0.266 370 T C 1.894 176.621 174.700 0.044 0.000 1.047 370 T CA 1.907 64.031 62.100 0.040 0.000 1.159 370 T CB -0.417 68.538 68.868 0.145 0.000 0.863 370 T HN 0.265 nan 8.240 nan 0.000 0.422 371 L N 0.473 121.734 121.223 0.064 0.000 1.997 371 L HA -0.245 4.093 4.340 -0.005 0.000 0.216 371 L C 2.702 179.616 176.870 0.074 0.000 1.074 371 L CA 1.749 56.620 54.840 0.051 0.000 0.763 371 L CB -0.518 41.571 42.059 0.051 0.000 0.890 371 L HN 0.221 nan 8.230 nan 0.000 0.434 372 K N 0.004 120.442 120.400 0.064 0.000 2.026 372 K HA -0.179 4.138 4.320 -0.005 0.000 0.208 372 K C 2.023 178.650 176.600 0.045 0.000 1.048 372 K CA 1.379 57.697 56.287 0.052 0.000 0.929 372 K CB -0.018 32.511 32.500 0.049 0.000 0.713 372 K HN 0.161 nan 8.250 nan 0.000 0.439 373 E N -0.645 119.579 120.200 0.039 0.000 2.208 373 E HA -0.163 4.184 4.350 -0.005 0.000 0.193 373 E C 1.705 178.289 176.600 -0.028 0.000 0.988 373 E CA 0.587 56.988 56.400 0.002 0.000 0.828 373 E CB -0.226 29.471 29.700 -0.005 0.000 0.763 373 E HN 0.509 nan 8.360 nan 0.000 0.478 374 W N 1.092 122.273 121.300 -0.198 0.000 2.480 374 W HA 0.023 4.680 4.660 -0.004 0.000 0.299 374 W C 1.711 178.109 176.519 -0.203 0.000 1.187 374 W CA 0.505 57.680 57.345 -0.283 0.000 1.347 374 W CB -0.383 28.841 29.460 -0.394 0.000 1.121 374 W HN -0.015 nan 8.180 nan 0.000 0.533 375 L N 0.517 121.885 121.223 0.243 0.000 2.265 375 L HA -0.194 4.143 4.340 -0.005 0.000 0.215 375 L C 2.290 179.191 176.870 0.053 0.000 1.117 375 L CA 1.477 56.435 54.840 0.197 0.000 0.782 375 L CB -0.844 41.314 42.059 0.164 0.000 0.914 375 L HN -0.138 nan 8.230 nan 0.000 0.441 376 T N -1.063 113.488 114.554 -0.004 0.000 3.014 376 T HA -0.035 4.312 4.350 -0.005 0.000 0.263 376 T C 1.985 176.627 174.700 -0.096 0.000 1.078 376 T CA 0.895 62.973 62.100 -0.036 0.000 1.135 376 T CB 0.120 68.972 68.868 -0.025 0.000 0.895 376 T HN 0.317 nan 8.240 nan 0.000 0.480 377 R N -0.028 120.355 120.500 -0.196 0.000 2.146 377 R HA 0.342 4.679 4.340 -0.005 0.000 0.206 377 R C 0.324 176.403 176.300 -0.368 0.000 1.049 377 R CA 0.601 56.537 56.100 -0.273 0.000 1.029 377 R CB 0.463 30.554 30.300 -0.349 0.000 0.949 377 R HN 0.280 nan 8.270 nan 0.000 0.471 378 I N 2.538 122.788 120.570 -0.533 0.000 2.833 378 I HA 0.185 4.352 4.170 -0.005 0.000 0.286 378 I C -1.919 174.146 176.117 -0.086 0.000 1.287 378 I CA -1.607 59.355 61.300 -0.562 0.000 1.046 378 I CB 1.959 39.157 38.000 -1.335 0.000 1.612 378 I HN -0.113 nan 8.210 nan 0.000 0.585 379 P HA -0.099 nan 4.420 nan 0.000 0.221 379 P C 0.139 177.534 177.300 0.157 0.000 1.150 379 P CA 1.201 64.382 63.100 0.134 0.000 0.800 379 P CB 0.328 32.058 31.700 0.051 0.000 0.787 380 D N -0.368 120.121 120.400 0.149 0.000 2.481 380 D HA 0.468 5.105 4.640 -0.005 0.000 0.246 380 D C -0.790 175.654 176.300 0.241 0.000 1.109 380 D CA -0.764 53.282 54.000 0.076 0.000 0.845 380 D CB 0.687 41.518 40.800 0.053 0.000 1.160 380 D HN -0.040 nan 8.370 nan 0.000 0.534 381 F N 1.000 121.009 119.950 0.097 0.000 2.779 381 F HA 0.780 5.304 4.527 -0.005 0.000 0.316 381 F C -1.004 174.872 175.800 0.127 0.000 1.164 381 F CA -0.976 57.144 58.000 0.200 0.000 0.924 381 F CB 0.891 40.033 39.000 0.236 0.000 1.348 381 F HN 0.237 nan 8.300 nan 0.000 0.467 382 S N 0.077 115.964 115.700 0.312 0.000 2.672 382 S HA 0.693 5.160 4.470 -0.005 0.000 0.271 382 S C -1.425 173.300 174.600 0.209 0.000 1.171 382 S CA -1.039 57.232 58.200 0.119 0.000 0.817 382 S CB 1.319 64.536 63.200 0.028 0.000 1.150 382 S HN 0.852 nan 8.310 nan 0.000 0.478 383 I N 2.064 122.695 120.570 0.102 0.000 2.496 383 I HA 0.426 4.594 4.170 -0.005 0.000 0.285 383 I C 1.095 177.260 176.117 0.081 0.000 1.080 383 I CA -0.317 61.040 61.300 0.096 0.000 1.404 383 I CB 1.029 39.054 38.000 0.042 0.000 1.403 383 I HN 0.928 nan 8.210 nan 0.000 0.539 384 A N 8.699 131.570 122.820 0.085 0.000 2.580 384 A HA 0.148 4.466 4.320 -0.005 0.000 0.244 384 A C -2.203 175.401 177.584 0.035 0.000 1.045 384 A CA -0.748 51.322 52.037 0.055 0.000 0.761 384 A CB -0.862 18.166 19.000 0.047 0.000 0.962 384 A HN 0.446 nan 8.150 nan 0.000 0.512 385 P HA 0.177 nan 4.420 nan 0.000 0.261 385 P C 1.205 178.513 177.300 0.012 0.000 1.173 385 P CA 1.905 65.014 63.100 0.015 0.000 0.760 385 P CB 0.463 32.169 31.700 0.010 0.000 0.783 386 G N 2.173 110.978 108.800 0.010 0.000 2.234 386 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.260 386 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.260 386 G C 0.506 175.412 174.900 0.010 0.000 0.987 386 G CA 0.051 45.156 45.100 0.008 0.000 0.625 386 G HN 0.877 nan 8.290 nan 0.000 0.532 387 A N 0.409 123.238 122.820 0.014 0.000 2.548 387 A HA 0.501 4.819 4.320 -0.005 0.000 0.247 387 A C 0.602 178.192 177.584 0.010 0.000 1.067 387 A CA 0.730 52.777 52.037 0.017 0.000 0.757 387 A CB 0.224 19.240 19.000 0.027 0.000 0.996 387 A HN 0.362 nan 8.150 nan 0.000 0.504 388 Q N 2.879 122.684 119.800 0.009 0.000 2.560 388 Q HA 0.238 4.575 4.340 -0.005 0.000 0.238 388 Q C -0.281 175.718 176.000 -0.002 0.000 1.079 388 Q CA -0.406 55.398 55.803 0.000 0.000 0.866 388 Q CB 0.641 29.380 28.738 0.002 0.000 1.153 388 Q HN 0.658 nan 8.270 nan 0.000 0.530 389 I N 1.860 122.425 120.570 -0.008 0.000 2.741 389 I HA -0.079 4.088 4.170 -0.005 0.000 0.288 389 I C 0.756 176.850 176.117 -0.038 0.000 1.192 389 I CA 0.794 62.090 61.300 -0.006 0.000 1.426 389 I CB -0.096 37.904 38.000 -0.000 0.000 1.367 389 I HN 0.311 nan 8.210 nan 0.000 0.563 390 Q N 5.953 125.766 119.800 0.021 0.000 2.316 390 Q HA 0.411 4.749 4.340 -0.005 0.000 0.264 390 Q C -0.709 175.402 176.000 0.184 0.000 0.987 390 Q CA -0.585 55.246 55.803 0.045 0.000 0.852 390 Q CB 2.357 31.128 28.738 0.054 0.000 1.287 390 Q HN 0.606 nan 8.270 nan 0.000 0.448 391 H N 0.726 119.855 119.070 0.098 0.000 2.559 391 H HA 0.493 5.046 4.556 -0.005 0.000 0.343 391 H C -0.552 174.857 175.328 0.136 0.000 1.209 391 H CA -0.812 55.321 56.048 0.141 0.000 1.287 391 H CB 1.820 31.739 29.762 0.263 0.000 1.650 391 H HN 0.244 nan 8.280 nan 0.000 0.567 392 K N 1.003 121.568 120.400 0.275 0.000 2.513 392 K HA 0.294 4.611 4.320 -0.005 0.000 0.251 392 K C -1.386 175.359 176.600 0.242 0.000 0.939 392 K CA -0.480 55.931 56.287 0.208 0.000 0.793 392 K CB 2.303 34.886 32.500 0.138 0.000 1.241 392 K HN 0.490 nan 8.250 nan 0.000 0.431 393 S N 1.725 117.577 115.700 0.253 0.000 2.593 393 S HA 0.944 5.411 4.470 -0.005 0.000 0.297 393 S C -0.340 174.423 174.600 0.272 0.000 1.112 393 S CA 0.261 58.647 58.200 0.310 0.000 1.043 393 S CB 1.497 64.933 63.200 0.394 0.000 1.054 393 S HN 0.922 nan 8.310 nan 0.000 0.516 394 G N 2.318 111.250 108.800 0.220 0.000 2.392 394 G HA2 0.199 4.156 3.960 -0.005 0.000 0.260 394 G HA3 0.199 4.156 3.960 -0.005 0.000 0.260 394 G C 0.177 175.026 174.900 -0.085 0.000 1.226 394 G CA -0.272 44.875 45.100 0.077 0.000 0.913 394 G HN 0.543 nan 8.290 nan 0.000 0.483 395 I N 0.126 120.593 120.570 -0.171 0.000 2.286 395 I HA 0.026 4.193 4.170 -0.005 0.000 0.248 395 I C 0.925 176.890 176.117 -0.252 0.000 1.115 395 I CA 1.497 62.554 61.300 -0.405 0.000 1.392 395 I CB -0.765 36.713 38.000 -0.870 0.000 1.065 395 I HN 0.041 nan 8.210 nan 0.000 0.418 396 V N 0.887 120.732 119.914 -0.116 0.000 2.483 396 V HA 0.281 4.399 4.120 -0.005 0.000 0.297 396 V C 0.077 176.188 176.094 0.028 0.000 1.027 396 V CA -0.619 61.650 62.300 -0.051 0.000 0.855 396 V CB 1.803 33.626 31.823 0.000 0.000 0.995 396 V HN 0.091 nan 8.190 nan 0.000 0.424 397 S N 2.671 118.397 115.700 0.043 0.000 2.601 397 S HA 0.815 5.283 4.470 -0.005 0.000 0.271 397 S C 0.460 175.226 174.600 0.276 0.000 1.305 397 S CA 0.017 58.319 58.200 0.170 0.000 1.022 397 S CB 1.641 64.926 63.200 0.141 0.000 0.940 397 S HN 1.117 nan 8.310 nan 0.000 0.525 398 G N 0.087 109.003 108.800 0.193 0.000 2.866 398 G HA2 0.616 4.574 3.960 -0.005 0.000 0.289 398 G HA3 0.616 4.574 3.960 -0.005 0.000 0.289 398 G C -1.647 173.052 174.900 -0.335 0.000 1.396 398 G CA -0.562 44.470 45.100 -0.113 0.000 0.848 398 G HN 0.614 nan 8.290 nan 0.000 0.515 399 V N 0.350 119.972 119.914 -0.486 0.000 2.459 399 V HA 0.321 4.439 4.120 -0.005 0.000 0.295 399 V C 1.122 177.157 176.094 -0.098 0.000 1.029 399 V CA -0.325 61.788 62.300 -0.313 0.000 0.874 399 V CB 1.377 32.943 31.823 -0.427 0.000 0.985 399 V HN 0.933 nan 8.190 nan 0.000 0.438 400 Q N 2.952 122.758 119.800 0.010 0.000 2.016 400 Q HA 0.174 4.512 4.340 -0.005 0.000 0.200 400 Q C 0.630 176.641 176.000 0.018 0.000 0.978 400 Q CA 1.659 57.477 55.803 0.025 0.000 0.833 400 Q CB 0.246 29.016 28.738 0.054 0.000 0.895 400 Q HN 0.966 nan 8.270 nan 0.000 0.427 401 A N -0.396 122.442 122.820 0.030 0.000 2.574 401 A HA 0.557 4.874 4.320 -0.005 0.000 0.297 401 A C -1.778 175.839 177.584 0.054 0.000 1.062 401 A CA -0.611 51.449 52.037 0.039 0.000 0.686 401 A CB 1.460 20.484 19.000 0.041 0.000 1.285 401 A HN 0.233 nan 8.150 nan 0.000 0.403 402 L N 2.830 124.104 121.223 0.085 0.000 2.490 402 L HA 0.383 4.720 4.340 -0.005 0.000 0.256 402 L C -2.780 174.175 176.870 0.143 0.000 1.089 402 L CA -1.812 53.093 54.840 0.107 0.000 0.916 402 L CB 2.364 44.506 42.059 0.139 0.000 1.188 402 L HN 0.414 nan 8.230 nan 0.000 0.476 403 P HA 0.282 nan 4.420 nan 0.000 0.286 403 P C -0.738 176.649 177.300 0.144 0.000 1.321 403 P CA -0.005 63.164 63.100 0.115 0.000 0.790 403 P CB 0.791 32.534 31.700 0.072 0.000 0.897 404 L N 3.939 125.292 121.223 0.217 0.000 2.344 404 L HA 0.748 5.085 4.340 -0.005 0.000 0.272 404 L C 0.495 177.533 176.870 0.281 0.000 1.035 404 L CA -1.100 53.931 54.840 0.317 0.000 0.807 404 L CB 1.875 44.208 42.059 0.457 0.000 1.237 404 L HN 0.179 nan 8.230 nan 0.000 0.442 405 V N -1.172 118.945 119.914 0.337 0.000 3.114 405 V HA 0.806 4.923 4.120 -0.005 0.000 0.308 405 V C -1.746 174.587 176.094 0.399 0.000 1.168 405 V CA -0.653 61.718 62.300 0.118 0.000 1.015 405 V CB 1.802 33.650 31.823 0.041 0.000 1.050 405 V HN 0.968 nan 8.190 nan 0.000 0.433 406 W N 0.749 122.119 121.300 0.117 0.000 3.153 406 W HA 0.698 5.356 4.660 -0.005 0.000 0.316 406 W C -1.667 174.890 176.519 0.064 0.000 1.255 406 W CA -0.702 56.715 57.345 0.120 0.000 1.192 406 W CB 0.825 30.393 29.460 0.180 0.000 1.400 406 W HN 0.740 nan 8.180 nan 0.000 0.568 407 D N 2.890 123.461 120.400 0.286 0.000 2.336 407 D HA 0.301 4.939 4.640 -0.005 0.000 0.249 407 D C -1.374 175.073 176.300 0.245 0.000 1.213 407 D CA -2.233 51.863 54.000 0.160 0.000 0.870 407 D CB 1.659 42.528 40.800 0.115 0.000 1.076 407 D HN 0.080 nan 8.370 nan 0.000 0.483 408 P HA -0.181 nan 4.420 nan 0.000 0.217 408 P C 0.872 178.254 177.300 0.136 0.000 1.151 408 P CA 1.701 64.920 63.100 0.199 0.000 0.849 408 P CB 0.130 31.876 31.700 0.075 0.000 0.787 409 A N -0.987 121.887 122.820 0.090 0.000 2.216 409 A HA -0.080 4.238 4.320 -0.005 0.000 0.214 409 A C 1.781 179.402 177.584 0.061 0.000 1.160 409 A CA 1.756 53.829 52.037 0.061 0.000 0.725 409 A CB -1.438 17.587 19.000 0.042 0.000 0.784 409 A HN 0.353 nan 8.150 nan 0.000 0.472 410 T N -2.710 111.897 114.554 0.089 0.000 3.145 410 T HA 0.231 4.578 4.350 -0.005 0.000 0.255 410 T C 0.655 175.382 174.700 0.045 0.000 1.039 410 T CA 0.496 62.637 62.100 0.067 0.000 0.928 410 T CB -0.672 68.246 68.868 0.084 0.000 1.029 410 T HN 0.454 nan 8.240 nan 0.000 0.554 411 T N -0.606 113.973 114.554 0.042 0.000 2.936 411 T HA 0.707 5.054 4.350 -0.005 0.000 0.282 411 T C -0.816 173.866 174.700 -0.030 0.000 1.003 411 T CA -0.857 61.230 62.100 -0.023 0.000 1.005 411 T CB 1.998 70.848 68.868 -0.029 0.000 1.097 411 T HN 0.228 nan 8.240 nan 0.000 0.532 412 K N 0.134 120.493 120.400 -0.067 0.000 2.422 412 K HA 0.701 5.018 4.320 -0.005 0.000 0.251 412 K C -1.016 175.541 176.600 -0.071 0.000 0.933 412 K CA -0.983 55.273 56.287 -0.053 0.000 0.798 412 K CB 2.474 34.948 32.500 -0.044 0.000 1.238 412 K HN 0.874 nan 8.250 nan 0.000 0.428 413 A N 2.037 124.828 122.820 -0.048 0.000 2.306 413 A HA 0.724 5.041 4.320 -0.005 0.000 0.314 413 A C -0.546 177.015 177.584 -0.039 0.000 1.164 413 A CA -0.487 51.521 52.037 -0.049 0.000 0.822 413 A CB 0.769 19.750 19.000 -0.031 0.000 1.130 413 A HN 0.390 nan 8.150 nan 0.000 0.496 414 V N 0.000 119.889 119.914 -0.041 0.000 2.409 414 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 414 V CA 0.000 62.283 62.300 -0.028 0.000 1.235 414 V CB 0.000 31.804 31.823 -0.032 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556