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 2fer_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE 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 0.000 175.490 175.510 -0.034 0.000 1.280 10 N CA 0.000 53.031 53.050 -0.032 0.000 0.885 10 N CB 0.000 38.475 38.487 -0.020 0.000 1.341 11 L N 1.657 122.862 121.223 -0.029 0.000 2.272 11 L HA 0.665 5.004 4.340 -0.001 0.000 0.289 11 L C 0.833 177.703 176.870 0.000 0.000 1.032 11 L CA -0.817 54.009 54.840 -0.024 0.000 0.810 11 L CB 1.287 43.330 42.059 -0.027 0.000 1.205 11 L HN 0.631 nan 8.230 nan 0.000 0.422 12 A N 5.488 128.318 122.820 0.016 0.000 2.462 12 A HA 0.475 4.795 4.320 -0.001 0.000 0.243 12 A C -2.218 175.402 177.584 0.061 0.000 1.076 12 A CA -1.047 51.017 52.037 0.045 0.000 0.773 12 A CB -0.409 18.633 19.000 0.070 0.000 1.010 12 A HN 0.463 nan 8.150 nan 0.000 0.493 13 P HA 0.093 nan 4.420 nan 0.000 0.265 13 P C -0.340 176.969 177.300 0.015 0.000 1.193 13 P CA -0.163 62.949 63.100 0.021 0.000 0.765 13 P CB 0.271 31.978 31.700 0.012 0.000 0.823 14 L N 7.205 128.407 121.223 -0.034 0.000 2.500 14 L HA 0.205 4.545 4.340 -0.001 0.000 0.272 14 L C -2.056 174.673 176.870 -0.235 0.000 1.149 14 L CA -1.348 53.400 54.840 -0.153 0.000 0.897 14 L CB -0.666 41.291 42.059 -0.170 0.000 1.178 14 L HN 0.316 nan 8.230 nan 0.000 0.473 15 P HA 0.158 nan 4.420 nan 0.000 0.269 15 P C -2.075 175.047 177.300 -0.297 0.000 1.209 15 P CA -0.987 61.930 63.100 -0.306 0.000 0.776 15 P CB 0.107 31.560 31.700 -0.412 0.000 0.876 16 P HA -0.237 nan 4.420 nan 0.000 0.218 16 P C 1.186 178.456 177.300 -0.050 0.000 1.152 16 P CA 1.661 64.728 63.100 -0.053 0.000 0.857 16 P CB -0.460 31.251 31.700 0.018 0.000 0.787 17 H N -2.194 116.803 119.070 -0.122 0.000 2.551 17 H HA 0.132 4.688 4.556 -0.001 0.000 0.266 17 H C -0.004 175.280 175.328 -0.073 0.000 0.977 17 H CA 0.210 56.218 56.048 -0.066 0.000 1.163 17 H CB -0.583 29.172 29.762 -0.012 0.000 1.381 17 H HN -0.077 nan 8.280 nan 0.000 0.581 18 V N 5.414 124.965 119.914 -0.605 0.000 2.364 18 V HA 0.223 4.343 4.120 -0.001 0.000 0.272 18 V C -1.974 173.937 176.094 -0.304 0.000 1.036 18 V CA -1.633 60.329 62.300 -0.564 0.000 0.880 18 V CB 1.423 32.527 31.823 -1.199 0.000 0.991 18 V HN 0.241 nan 8.190 nan 0.000 0.460 19 P HA 0.169 nan 4.420 nan 0.000 0.275 19 P C 0.595 177.819 177.300 -0.127 0.000 1.228 19 P CA -0.346 62.708 63.100 -0.076 0.000 0.786 19 P CB 1.005 32.717 31.700 0.019 0.000 0.927 20 E N 2.181 122.366 120.200 -0.026 0.000 2.153 20 E HA -0.277 4.072 4.350 -0.001 0.000 0.194 20 E C 1.565 178.180 176.600 0.025 0.000 0.988 20 E CA 1.269 57.662 56.400 -0.011 0.000 0.811 20 E CB -0.833 28.880 29.700 0.022 0.000 0.746 20 E HN 0.587 nan 8.360 nan 0.000 0.466 21 H N 0.676 119.766 119.070 0.034 0.000 2.561 21 H HA 0.027 4.583 4.556 -0.001 0.000 0.278 21 H C 1.519 176.897 175.328 0.084 0.000 1.014 21 H CA 0.837 56.916 56.048 0.052 0.000 1.211 21 H CB -0.074 29.711 29.762 0.039 0.000 1.365 21 H HN 0.304 nan 8.280 nan 0.000 0.594 22 L N 1.195 122.235 121.223 -0.305 0.000 2.585 22 L HA 0.168 4.508 4.340 -0.001 0.000 0.226 22 L C 0.316 177.237 176.870 0.084 0.000 1.113 22 L CA -0.217 54.558 54.840 -0.107 0.000 0.876 22 L CB 0.653 42.666 42.059 -0.077 0.000 1.072 22 L HN -0.016 nan 8.230 nan 0.000 0.468 23 V N 0.970 120.928 119.914 0.073 0.000 2.521 23 V HA 0.007 4.126 4.120 -0.001 0.000 0.286 23 V C -0.549 175.667 176.094 0.204 0.000 1.034 23 V CA 0.323 62.704 62.300 0.134 0.000 1.045 23 V CB 0.701 32.571 31.823 0.077 0.000 0.974 23 V HN 0.079 nan 8.190 nan 0.000 0.480 24 F N 3.992 123.948 119.950 0.009 0.000 2.831 24 F HA 0.409 4.935 4.527 -0.001 0.000 0.346 24 F C -0.017 175.768 175.800 -0.024 0.000 1.224 24 F CA -0.813 57.185 58.000 -0.002 0.000 1.048 24 F CB 1.489 40.488 39.000 -0.002 0.000 1.339 24 F HN 0.505 nan 8.300 nan 0.000 0.514 25 D N 6.694 126.888 120.400 -0.344 0.000 2.713 25 D HA 0.024 4.663 4.640 -0.001 0.000 0.229 25 D C -0.368 175.762 176.300 -0.283 0.000 1.136 25 D CA 0.314 54.159 54.000 -0.258 0.000 1.010 25 D CB -0.124 40.548 40.800 -0.212 0.000 1.084 25 D HN 0.289 nan 8.370 nan 0.000 0.495 26 F N 1.814 121.556 119.950 -0.346 0.000 2.427 26 F HA 0.113 4.640 4.527 -0.001 0.000 0.352 26 F C 0.448 176.085 175.800 -0.270 0.000 1.100 26 F CA -0.701 57.123 58.000 -0.294 0.000 1.191 26 F CB 0.854 39.770 39.000 -0.140 0.000 1.128 26 F HN -0.123 nan 8.300 nan 0.000 0.533 27 D N 7.296 127.174 120.400 -0.870 0.000 2.443 27 D HA 0.099 4.738 4.640 -0.001 0.000 0.221 27 D C 0.989 176.759 176.300 -0.883 0.000 1.097 27 D CA -0.456 53.176 54.000 -0.613 0.000 0.865 27 D CB 0.842 41.415 40.800 -0.379 0.000 1.034 27 D HN 0.729 nan 8.370 nan 0.000 0.511 28 M N 1.964 121.220 119.600 -0.572 0.000 2.346 28 M HA -0.125 4.354 4.480 -0.001 0.000 0.263 28 M C 0.360 176.431 176.300 -0.382 0.000 1.064 28 M CA 1.301 56.300 55.300 -0.501 0.000 1.083 28 M CB -0.285 32.193 32.600 -0.203 0.000 1.399 28 M HN 0.245 nan 8.290 nan 0.000 0.435 29 Y N 0.596 120.828 120.300 -0.113 0.000 2.482 29 Y HA 0.251 4.800 4.550 -0.001 0.000 0.270 29 Y C 0.666 176.528 175.900 -0.063 0.000 1.152 29 Y CA 0.101 58.179 58.100 -0.036 0.000 1.292 29 Y CB 0.447 38.891 38.460 -0.028 0.000 1.070 29 Y HN 0.469 nan 8.280 nan 0.000 0.528 30 N N 0.735 119.397 118.700 -0.065 0.000 2.926 30 N HA 0.084 4.823 4.740 -0.001 0.000 0.201 30 N C -3.315 172.048 175.510 -0.246 0.000 1.419 30 N CA -0.968 52.030 53.050 -0.087 0.000 0.838 30 N CB 0.897 39.358 38.487 -0.043 0.000 1.534 30 N HN -0.170 nan 8.380 nan 0.000 0.569 31 P HA 0.140 nan 4.420 nan 0.000 0.271 31 P C 0.676 177.833 177.300 -0.238 0.000 1.218 31 P CA -0.018 62.763 63.100 -0.532 0.000 0.780 31 P CB 1.464 32.818 31.700 -0.578 0.000 0.901 32 S N 1.730 117.300 115.700 -0.217 0.000 2.374 32 S HA -0.181 4.289 4.470 -0.001 0.000 0.227 32 S C 1.174 175.752 174.600 -0.037 0.000 1.037 32 S CA 1.781 59.917 58.200 -0.107 0.000 1.024 32 S CB -0.716 62.429 63.200 -0.093 0.000 0.861 32 S HN 0.594 nan 8.310 nan 0.000 0.456 33 N N 0.795 119.498 118.700 0.005 0.000 2.295 33 N HA 0.250 4.990 4.740 -0.001 0.000 0.221 33 N C 0.880 176.427 175.510 0.062 0.000 1.129 33 N CA -0.128 52.948 53.050 0.044 0.000 0.836 33 N CB 0.134 38.668 38.487 0.078 0.000 1.040 33 N HN 0.109 nan 8.380 nan 0.000 0.494 34 L N 0.715 121.968 121.223 0.050 0.000 2.081 34 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 34 L C 2.087 178.996 176.870 0.065 0.000 1.080 34 L CA 1.684 56.577 54.840 0.089 0.000 0.754 34 L CB -0.926 41.178 42.059 0.075 0.000 0.893 34 L HN 0.302 nan 8.230 nan 0.000 0.433 35 S N -1.206 114.512 115.700 0.029 0.000 2.474 35 S HA -0.054 4.415 4.470 -0.001 0.000 0.235 35 S C 1.939 176.533 174.600 -0.011 0.000 0.997 35 S CA 0.646 58.847 58.200 0.001 0.000 0.949 35 S CB -0.745 62.455 63.200 0.000 0.000 0.766 35 S HN 0.473 nan 8.310 nan 0.000 0.517 36 A N 1.086 123.918 122.820 0.020 0.000 2.206 36 A HA 0.560 4.880 4.320 -0.001 0.000 0.211 36 A C 1.238 178.843 177.584 0.034 0.000 1.158 36 A CA 0.440 52.492 52.037 0.026 0.000 0.761 36 A CB -0.884 18.144 19.000 0.047 0.000 0.801 36 A HN 1.626 nan 8.150 nan 0.000 0.473 37 G N -2.454 106.367 108.800 0.035 0.000 2.592 37 G HA2 0.097 4.057 3.960 -0.001 0.000 0.685 37 G HA3 0.097 4.057 3.960 -0.001 0.000 0.685 37 G C 0.396 175.495 174.900 0.332 0.000 1.278 37 G CA -0.163 45.008 45.100 0.119 0.000 0.822 37 G HN 0.855 nan 8.290 nan 0.000 0.652 38 V N 1.290 121.575 119.914 0.619 0.000 2.343 38 V HA -0.161 3.959 4.120 -0.001 0.000 0.247 38 V C 2.704 179.014 176.094 0.360 0.000 1.051 38 V CA 3.362 65.935 62.300 0.455 0.000 1.036 38 V CB -0.359 31.720 31.823 0.427 0.000 0.654 38 V HN 0.809 nan 8.190 nan 0.000 0.451 39 Q N 0.021 119.918 119.800 0.161 0.000 2.084 39 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 39 Q C 2.088 178.172 176.000 0.141 0.000 0.978 39 Q CA 2.265 58.096 55.803 0.047 0.000 0.844 39 Q CB -0.338 28.331 28.738 -0.115 0.000 0.898 39 Q HN 0.716 nan 8.270 nan 0.000 0.426 40 E N 0.252 120.537 120.200 0.142 0.000 2.085 40 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 40 E C 1.823 178.528 176.600 0.175 0.000 0.994 40 E CA 1.323 57.796 56.400 0.123 0.000 0.801 40 E CB -0.352 29.407 29.700 0.099 0.000 0.743 40 E HN 0.418 nan 8.360 nan 0.000 0.453 41 A N -0.027 122.941 122.820 0.245 0.000 1.902 41 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 41 A C 1.795 179.582 177.584 0.338 0.000 1.181 41 A CA 1.317 53.508 52.037 0.258 0.000 0.623 41 A CB -0.997 18.148 19.000 0.243 0.000 0.818 41 A HN 0.368 nan 8.150 nan 0.000 0.443 42 W N -0.279 121.142 121.300 0.202 0.000 2.402 42 W HA 0.065 4.724 4.660 -0.001 0.000 0.286 42 W C 2.612 179.099 176.519 -0.054 0.000 1.221 42 W CA 1.183 58.584 57.345 0.094 0.000 1.257 42 W CB -0.327 29.153 29.460 0.034 0.000 1.120 42 W HN 0.361 nan 8.180 nan 0.000 0.551 43 A N 0.449 123.384 122.820 0.193 0.000 2.178 43 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 43 A C 1.998 179.600 177.584 0.030 0.000 1.157 43 A CA 1.692 53.768 52.037 0.065 0.000 0.689 43 A CB -1.231 17.792 19.000 0.038 0.000 0.787 43 A HN 0.278 nan 8.150 nan 0.000 0.465 44 V N -2.175 117.785 119.914 0.077 0.000 2.594 44 V HA -0.199 3.920 4.120 -0.001 0.000 0.253 44 V C 1.975 178.050 176.094 -0.032 0.000 1.069 44 V CA 1.959 64.311 62.300 0.086 0.000 1.082 44 V CB -0.954 30.996 31.823 0.211 0.000 0.680 44 V HN 0.458 nan 8.190 nan 0.000 0.469 45 L N -0.190 120.947 121.223 -0.144 0.000 2.456 45 L HA -0.038 4.302 4.340 -0.001 0.000 0.224 45 L C 2.395 179.095 176.870 -0.283 0.000 1.148 45 L CA 1.263 55.890 54.840 -0.354 0.000 0.825 45 L CB -0.466 41.353 42.059 -0.399 0.000 0.937 45 L HN 0.446 nan 8.230 nan 0.000 0.450 46 Q N -0.717 118.985 119.800 -0.164 0.000 2.172 46 Q HA 0.147 4.487 4.340 -0.001 0.000 0.217 46 Q C -0.108 175.831 176.000 -0.101 0.000 0.832 46 Q CA -0.187 55.540 55.803 -0.128 0.000 1.010 46 Q CB 0.635 29.321 28.738 -0.086 0.000 1.133 46 Q HN 0.448 nan 8.270 nan 0.000 0.489 47 E N 0.629 120.765 120.200 -0.108 0.000 2.392 47 E HA -0.007 4.343 4.350 -0.001 0.000 0.259 47 E C 0.846 177.400 176.600 -0.077 0.000 1.108 47 E CA 0.272 56.632 56.400 -0.067 0.000 0.916 47 E CB 0.792 30.473 29.700 -0.032 0.000 0.989 47 E HN 0.187 nan 8.360 nan 0.000 0.432 48 S N 1.374 117.047 115.700 -0.044 0.000 2.442 48 S HA -0.202 4.268 4.470 -0.001 0.000 0.236 48 S C 1.160 175.735 174.600 -0.041 0.000 1.007 48 S CA 1.459 59.635 58.200 -0.040 0.000 0.965 48 S CB -0.452 62.734 63.200 -0.022 0.000 0.773 48 S HN 0.592 nan 8.310 nan 0.000 0.504 49 N N 0.935 119.612 118.700 -0.037 0.000 2.467 49 N HA 0.100 4.839 4.740 -0.001 0.000 0.184 49 N C -0.192 175.284 175.510 -0.056 0.000 1.106 49 N CA 0.141 53.178 53.050 -0.022 0.000 0.892 49 N CB -0.185 38.310 38.487 0.014 0.000 0.969 49 N HN 0.296 nan 8.380 nan 0.000 0.454 50 V N 1.871 121.703 119.914 -0.135 0.000 2.383 50 V HA 0.337 4.456 4.120 -0.001 0.000 0.275 50 V C -1.950 174.043 176.094 -0.169 0.000 1.036 50 V CA -1.837 60.313 62.300 -0.250 0.000 0.889 50 V CB 1.068 32.585 31.823 -0.511 0.000 0.985 50 V HN 0.062 nan 8.190 nan 0.000 0.459 51 P HA 0.123 nan 4.420 nan 0.000 0.269 51 P C 0.412 177.659 177.300 -0.087 0.000 1.217 51 P CA -0.211 62.856 63.100 -0.055 0.000 0.783 51 P CB 0.645 32.351 31.700 0.010 0.000 0.898 52 D N -0.288 120.067 120.400 -0.075 0.000 2.182 52 D HA -0.078 4.561 4.640 -0.001 0.000 0.201 52 D C 0.392 176.638 176.300 -0.090 0.000 0.986 52 D CA 1.529 55.464 54.000 -0.108 0.000 0.847 52 D CB -0.098 40.618 40.800 -0.141 0.000 0.942 52 D HN 0.076 nan 8.370 nan 0.000 0.467 53 L N 0.461 121.666 121.223 -0.030 0.000 2.441 53 L HA 0.341 4.681 4.340 -0.001 0.000 0.270 53 L C -0.808 176.174 176.870 0.187 0.000 0.973 53 L CA -0.961 53.914 54.840 0.058 0.000 0.842 53 L CB 1.824 43.890 42.059 0.011 0.000 1.239 53 L HN -0.155 nan 8.230 nan 0.000 0.406 54 V N 1.601 121.667 119.914 0.253 0.000 3.046 54 V HA 0.666 4.786 4.120 -0.001 0.000 0.316 54 V C -1.136 175.209 176.094 0.417 0.000 1.104 54 V CA -0.795 61.681 62.300 0.294 0.000 1.006 54 V CB 2.078 33.983 31.823 0.137 0.000 1.058 54 V HN 0.909 nan 8.190 nan 0.000 0.440 55 W N 2.171 123.474 121.300 0.005 0.000 2.429 55 W HA 0.633 5.292 4.660 -0.001 0.000 0.314 55 W C -0.754 175.619 176.519 -0.244 0.000 1.062 55 W CA -0.202 56.936 57.345 -0.346 0.000 1.211 55 W CB 1.893 30.921 29.460 -0.720 0.000 1.305 55 W HN 0.864 nan 8.180 nan 0.000 0.476 56 T N 5.224 119.284 114.554 -0.823 0.000 2.859 56 T HA 0.364 4.714 4.350 -0.001 0.000 0.281 56 T C 0.981 175.206 174.700 -0.790 0.000 1.005 56 T CA -0.452 61.276 62.100 -0.620 0.000 1.025 56 T CB 1.134 69.686 68.868 -0.527 0.000 0.977 56 T HN 0.626 nan 8.240 nan 0.000 0.458 57 R N 1.911 122.229 120.500 -0.305 0.000 2.310 57 R HA 0.193 4.532 4.340 -0.001 0.000 0.202 57 R C 0.554 176.759 176.300 -0.159 0.000 0.933 57 R CA -0.157 55.861 56.100 -0.137 0.000 1.054 57 R CB -0.287 30.026 30.300 0.022 0.000 0.985 57 R HN 0.543 nan 8.270 nan 0.000 0.489 58 C N 1.310 120.479 119.300 -0.218 0.000 2.595 58 C HA 0.121 4.581 4.460 -0.001 0.000 0.384 58 C C 0.834 175.784 174.990 -0.066 0.000 1.289 58 C CA -0.511 58.428 59.018 -0.132 0.000 2.372 58 C CB 0.065 27.718 27.740 -0.144 0.000 2.593 58 C HN 0.674 nan 8.230 nan 0.000 0.639 59 N N 0.513 119.220 118.700 0.012 0.000 2.727 59 N HA -0.140 4.600 4.740 -0.001 0.000 0.249 59 N C 0.732 176.287 175.510 0.075 0.000 1.048 59 N CA 0.968 54.069 53.050 0.084 0.000 0.714 59 N CB -1.213 37.391 38.487 0.195 0.000 0.959 59 N HN 1.403 nan 8.380 nan 0.000 0.544 60 G N -1.873 106.945 108.800 0.030 0.000 2.225 60 G HA2 0.094 4.054 3.960 -0.001 0.000 0.254 60 G HA3 0.094 4.054 3.960 -0.001 0.000 0.254 60 G C 0.572 175.488 174.900 0.027 0.000 0.988 60 G CA 0.390 45.514 45.100 0.040 0.000 0.625 60 G HN 1.653 nan 8.290 nan 0.000 0.527 61 G N -0.786 107.949 108.800 -0.108 0.000 3.190 61 G HA2 0.569 4.529 3.960 -0.001 0.000 0.686 61 G HA3 0.569 4.529 3.960 -0.001 0.000 0.686 61 G C -0.534 173.894 174.900 -0.786 0.000 1.033 61 G CA 0.603 45.445 45.100 -0.430 0.000 0.797 61 G HN 2.841 nan 8.290 nan 0.000 0.567 62 H N -1.585 116.515 119.070 -1.616 0.000 2.987 62 H HA 0.651 5.207 4.556 -0.001 0.000 0.316 62 H C -0.594 174.063 175.328 -1.118 0.000 1.380 62 H CA -1.638 53.694 56.048 -1.194 0.000 1.160 62 H CB 0.130 29.644 29.762 -0.413 0.000 1.865 62 H HN 0.668 nan 8.280 nan 0.000 0.521 63 W N 1.026 122.237 121.300 -0.148 0.000 2.161 63 W HA 0.559 5.219 4.660 -0.001 0.000 0.344 63 W C -0.228 176.357 176.519 0.111 0.000 1.262 63 W CA -0.477 56.909 57.345 0.069 0.000 1.270 63 W CB 0.691 30.298 29.460 0.245 0.000 1.126 63 W HN 0.434 nan 8.180 nan 0.000 0.598 64 I N 2.629 123.399 120.570 0.334 0.000 2.478 64 I HA 0.384 4.554 4.170 -0.001 0.000 0.287 64 I C -0.150 176.046 176.117 0.132 0.000 1.042 64 I CA -1.171 60.247 61.300 0.197 0.000 1.067 64 I CB 1.368 39.418 38.000 0.084 0.000 1.233 64 I HN 0.440 nan 8.210 nan 0.000 0.431 65 A N 3.346 126.206 122.820 0.067 0.000 2.362 65 A HA 0.490 4.810 4.320 -0.001 0.000 0.276 65 A C 0.921 178.480 177.584 -0.041 0.000 1.153 65 A CA -0.073 51.960 52.037 -0.006 0.000 0.813 65 A CB 0.167 19.133 19.000 -0.057 0.000 1.081 65 A HN 0.861 nan 8.150 nan 0.000 0.507 66 T N -0.244 114.263 114.554 -0.078 0.000 3.054 66 T HA 0.276 4.625 4.350 -0.001 0.000 0.255 66 T C 0.561 175.201 174.700 -0.100 0.000 1.035 66 T CA -0.157 61.883 62.100 -0.101 0.000 0.941 66 T CB 0.072 68.849 68.868 -0.151 0.000 1.026 66 T HN 0.542 nan 8.240 nan 0.000 0.533 67 R N 0.076 120.511 120.500 -0.109 0.000 2.750 67 R HA 0.583 4.923 4.340 -0.001 0.000 0.281 67 R C 1.443 177.680 176.300 -0.104 0.000 0.972 67 R CA -0.301 55.734 56.100 -0.108 0.000 0.912 67 R CB 1.256 31.481 30.300 -0.124 0.000 1.187 67 R HN 0.196 nan 8.270 nan 0.000 0.464 68 G N 0.917 109.664 108.800 -0.088 0.000 2.469 68 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.220 68 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.220 68 G C 1.124 175.964 174.900 -0.100 0.000 1.136 68 G CA 0.987 46.035 45.100 -0.087 0.000 0.759 68 G HN 0.515 nan 8.290 nan 0.000 0.562 69 Q N -0.199 119.542 119.800 -0.098 0.000 2.084 69 Q HA -0.026 4.313 4.340 -0.001 0.000 0.202 69 Q C 2.375 178.316 176.000 -0.098 0.000 0.978 69 Q CA 1.252 57.006 55.803 -0.081 0.000 0.844 69 Q CB -0.373 28.326 28.738 -0.066 0.000 0.898 69 Q HN 0.407 nan 8.270 nan 0.000 0.426 70 L N -0.432 120.677 121.223 -0.191 0.000 2.072 70 L HA -0.034 4.306 4.340 -0.001 0.000 0.205 70 L C 2.201 179.038 176.870 -0.055 0.000 1.079 70 L CA 1.157 55.880 54.840 -0.196 0.000 0.752 70 L CB -0.477 41.377 42.059 -0.341 0.000 0.906 70 L HN 0.269 nan 8.230 nan 0.000 0.436 71 I N -0.806 119.700 120.570 -0.107 0.000 2.127 71 I HA -0.341 3.829 4.170 -0.001 0.000 0.241 71 I C 2.670 178.751 176.117 -0.059 0.000 1.075 71 I CA 1.366 62.592 61.300 -0.124 0.000 1.334 71 I CB -0.306 37.669 38.000 -0.042 0.000 1.040 71 I HN 0.185 nan 8.210 nan 0.000 0.405 72 R N 0.544 120.996 120.500 -0.080 0.000 2.073 72 R HA -0.173 4.167 4.340 -0.001 0.000 0.234 72 R C 2.245 178.613 176.300 0.114 0.000 1.134 72 R CA 1.505 57.505 56.100 -0.167 0.000 0.952 72 R CB -0.333 29.713 30.300 -0.422 0.000 0.850 72 R HN 0.428 nan 8.270 nan 0.000 0.433 73 E N 0.254 120.522 120.200 0.113 0.000 2.085 73 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 73 E C 2.006 178.705 176.600 0.165 0.000 0.994 73 E CA 1.267 57.808 56.400 0.236 0.000 0.801 73 E CB -0.087 29.840 29.700 0.378 0.000 0.743 73 E HN 0.390 nan 8.360 nan 0.000 0.453 74 A N 0.348 123.088 122.820 -0.132 0.000 1.929 74 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 74 A C 1.755 179.171 177.584 -0.281 0.000 1.176 74 A CA 0.998 52.605 52.037 -0.717 0.000 0.628 74 A CB -0.599 17.560 19.000 -1.402 0.000 0.816 74 A HN 0.233 nan 8.150 nan 0.000 0.444 75 Y N 0.547 120.855 120.300 0.012 0.000 2.352 75 Y HA -0.121 4.428 4.550 -0.001 0.000 0.292 75 Y C 2.334 178.386 175.900 0.253 0.000 1.136 75 Y CA 1.457 59.656 58.100 0.166 0.000 1.227 75 Y CB -0.369 38.229 38.460 0.230 0.000 0.991 75 Y HN 0.477 nan 8.280 nan 0.000 0.545 76 E N -0.792 119.648 120.200 0.401 0.000 2.158 76 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 76 E C 0.435 177.190 176.600 0.259 0.000 0.982 76 E CA 0.949 57.540 56.400 0.318 0.000 0.823 76 E CB 0.043 29.911 29.700 0.280 0.000 0.766 76 E HN 0.137 nan 8.360 nan 0.000 0.468 77 D N 0.127 120.678 120.400 0.253 0.000 2.564 77 D HA -0.016 4.624 4.640 -0.001 0.000 0.226 77 D C 0.298 176.695 176.300 0.161 0.000 1.149 77 D CA -0.456 53.635 54.000 0.151 0.000 0.994 77 D CB -0.099 40.872 40.800 0.285 0.000 1.029 77 D HN 0.179 nan 8.370 nan 0.000 0.517 78 Y N 1.111 121.510 120.300 0.165 0.000 2.509 78 Y HA 0.119 4.669 4.550 -0.001 0.000 0.293 78 Y C 1.876 177.787 175.900 0.019 0.000 1.133 78 Y CA 0.261 58.444 58.100 0.138 0.000 1.283 78 Y CB -0.348 38.201 38.460 0.148 0.000 1.001 78 Y HN 0.063 nan 8.280 nan 0.000 0.555 79 R N -0.011 120.258 120.500 -0.386 0.000 2.081 79 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 79 R C 1.621 177.648 176.300 -0.454 0.000 1.131 79 R CA 2.112 57.980 56.100 -0.387 0.000 0.960 79 R CB -0.508 29.456 30.300 -0.560 0.000 0.856 79 R HN 0.560 nan 8.270 nan 0.000 0.436 80 H N -1.723 117.099 119.070 -0.414 0.000 2.431 80 H HA 0.071 4.626 4.556 -0.001 0.000 0.295 80 H C -0.131 174.789 175.328 -0.680 0.000 1.038 80 H CA 0.519 56.138 56.048 -0.714 0.000 1.360 80 H CB 0.333 29.297 29.762 -1.329 0.000 1.433 80 H HN -0.020 nan 8.280 nan 0.000 0.536 81 F N 0.876 120.818 119.950 -0.013 0.000 2.311 81 F HA 0.295 4.822 4.527 -0.001 0.000 0.371 81 F C 0.192 176.025 175.800 0.055 0.000 1.083 81 F CA -0.722 57.273 58.000 -0.009 0.000 1.113 81 F CB 1.242 40.192 39.000 -0.084 0.000 1.349 81 F HN -0.109 nan 8.300 nan 0.000 0.470 82 S N 0.972 116.774 115.700 0.169 0.000 2.562 82 S HA 0.249 4.718 4.470 -0.001 0.000 0.275 82 S C 1.066 175.743 174.600 0.127 0.000 1.281 82 S CA -0.335 57.957 58.200 0.154 0.000 1.045 82 S CB 0.869 64.127 63.200 0.097 0.000 0.962 82 S HN 0.631 nan 8.310 nan 0.000 0.503 83 S N 2.637 118.404 115.700 0.112 0.000 2.671 83 S HA 0.109 4.579 4.470 -0.001 0.000 0.220 83 S C 1.211 175.816 174.600 0.009 0.000 0.951 83 S CA 0.191 58.402 58.200 0.018 0.000 0.932 83 S CB -0.205 62.930 63.200 -0.107 0.000 0.777 83 S HN 0.858 nan 8.310 nan 0.000 0.508 84 E N 0.193 120.421 120.200 0.046 0.000 2.153 84 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 84 E C 0.077 176.683 176.600 0.011 0.000 0.988 84 E CA 0.952 57.378 56.400 0.043 0.000 0.811 84 E CB 0.055 29.785 29.700 0.050 0.000 0.746 84 E HN 0.593 nan 8.360 nan 0.000 0.466 85 C N 1.497 120.791 119.300 -0.009 0.000 3.328 85 C HA 0.423 4.883 4.460 -0.001 0.000 0.230 85 C C -2.102 172.850 174.990 -0.064 0.000 1.232 85 C CA -1.484 57.510 59.018 -0.040 0.000 1.431 85 C CB 0.888 28.631 27.740 0.004 0.000 1.818 85 C HN 0.260 nan 8.230 nan 0.000 0.484 86 P HA 0.154 nan 4.420 nan 0.000 0.257 86 P C 0.110 177.466 177.300 0.093 0.000 1.241 86 P CA 0.324 63.362 63.100 -0.103 0.000 0.816 86 P CB 0.174 31.711 31.700 -0.271 0.000 1.150 87 F N 0.428 120.168 119.950 -0.350 0.000 2.450 87 F HA 0.380 4.907 4.527 -0.001 0.000 0.332 87 F C 0.928 176.614 175.800 -0.190 0.000 1.093 87 F CA -1.472 56.361 58.000 -0.278 0.000 1.003 87 F CB 1.555 40.327 39.000 -0.380 0.000 1.151 87 F HN -0.339 nan 8.300 nan 0.000 0.474 88 I N 4.573 125.114 120.570 -0.047 0.000 2.385 88 I HA 0.277 4.446 4.170 -0.001 0.000 0.294 88 I C -2.013 174.174 176.117 0.116 0.000 0.988 88 I CA -2.534 58.727 61.300 -0.065 0.000 1.265 88 I CB 1.127 38.940 38.000 -0.311 0.000 1.388 88 I HN 0.274 nan 8.210 nan 0.000 0.480 89 P HA 0.277 nan 4.420 nan 0.000 0.277 89 P C 0.680 177.995 177.300 0.025 0.000 1.271 89 P CA -0.572 62.562 63.100 0.056 0.000 0.795 89 P CB 1.205 32.938 31.700 0.055 0.000 1.101 90 R N 0.333 120.849 120.500 0.027 0.000 2.103 90 R HA -0.219 4.121 4.340 -0.001 0.000 0.242 90 R C 1.843 178.147 176.300 0.008 0.000 1.142 90 R CA 2.133 58.247 56.100 0.023 0.000 0.960 90 R CB -0.380 29.947 30.300 0.045 0.000 0.858 90 R HN 0.434 nan 8.270 nan 0.000 0.439 91 E N 0.197 120.407 120.200 0.016 0.000 2.118 91 E HA -0.181 4.169 4.350 -0.001 0.000 0.195 91 E C 1.850 178.443 176.600 -0.011 0.000 0.992 91 E CA 1.492 57.903 56.400 0.018 0.000 0.804 91 E CB -0.297 29.425 29.700 0.036 0.000 0.741 91 E HN 0.481 nan 8.360 nan 0.000 0.458 92 A N 0.946 123.738 122.820 -0.046 0.000 1.873 92 A HA -0.039 4.281 4.320 -0.001 0.000 0.215 92 A C 2.518 179.846 177.584 -0.426 0.000 1.186 92 A CA 1.720 53.605 52.037 -0.253 0.000 0.616 92 A CB -1.344 17.587 19.000 -0.115 0.000 0.823 92 A HN 0.356 nan 8.150 nan 0.000 0.442 93 G N -0.475 108.213 108.800 -0.187 0.000 2.422 93 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.218 93 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.218 93 G C 1.424 176.250 174.900 -0.123 0.000 1.146 93 G CA 1.028 46.027 45.100 -0.168 0.000 0.769 93 G HN 0.670 nan 8.290 nan 0.000 0.547 94 E N 0.507 120.666 120.200 -0.069 0.000 2.072 94 E HA 0.012 4.361 4.350 -0.001 0.000 0.191 94 E C 2.901 179.491 176.600 -0.017 0.000 0.985 94 E CA 0.720 57.106 56.400 -0.023 0.000 0.801 94 E CB -0.168 29.535 29.700 0.005 0.000 0.750 94 E HN 0.407 nan 8.360 nan 0.000 0.452 95 A N 0.994 123.800 122.820 -0.023 0.000 2.015 95 A HA -0.147 4.172 4.320 -0.001 0.000 0.219 95 A C 0.856 178.453 177.584 0.021 0.000 1.163 95 A CA 0.403 52.469 52.037 0.048 0.000 0.646 95 A CB -0.538 18.581 19.000 0.198 0.000 0.806 95 A HN 0.316 nan 8.150 nan 0.000 0.448 96 Y N 2.269 122.382 120.300 -0.312 0.000 2.677 96 Y HA 0.207 4.756 4.550 -0.001 0.000 0.335 96 Y C 0.264 175.999 175.900 -0.275 0.000 1.162 96 Y CA -0.137 57.689 58.100 -0.456 0.000 1.483 96 Y CB 0.478 38.434 38.460 -0.842 0.000 1.209 96 Y HN 0.445 nan 8.280 nan 0.000 0.528 97 D N 4.275 124.389 120.400 -0.477 0.000 2.636 97 D HA 0.030 4.669 4.640 -0.001 0.000 0.270 97 D C -0.672 175.570 176.300 -0.098 0.000 1.430 97 D CA -0.330 53.579 54.000 -0.152 0.000 0.796 97 D CB -0.856 39.932 40.800 -0.020 0.000 1.117 97 D HN 0.139 nan 8.370 nan 0.000 0.480 98 F N 1.181 120.886 119.950 -0.409 0.000 2.496 98 F HA 0.359 4.886 4.527 -0.001 0.000 0.344 98 F C 1.174 176.921 175.800 -0.088 0.000 1.155 98 F CA -0.866 56.987 58.000 -0.245 0.000 1.302 98 F CB 0.494 39.269 39.000 -0.375 0.000 1.159 98 F HN -0.107 nan 8.300 nan 0.000 0.595 99 I N 3.958 124.589 120.570 0.101 0.000 2.433 99 I HA 0.228 4.398 4.170 -0.001 0.000 0.292 99 I C -1.887 174.234 176.117 0.006 0.000 1.001 99 I CA -1.738 59.518 61.300 -0.073 0.000 1.119 99 I CB 2.442 40.197 38.000 -0.409 0.000 1.289 99 I HN 0.336 nan 8.210 nan 0.000 0.438 100 P HA 0.035 nan 4.420 nan 0.000 0.261 100 P C 1.248 178.710 177.300 0.271 0.000 1.268 100 P CA 0.257 63.426 63.100 0.116 0.000 0.833 100 P CB 0.057 31.856 31.700 0.164 0.000 1.231 101 T N -1.831 112.905 114.554 0.304 0.000 2.720 101 T HA -0.193 4.156 4.350 -0.001 0.000 0.268 101 T C 1.837 176.652 174.700 0.192 0.000 1.037 101 T CA 1.989 64.257 62.100 0.280 0.000 1.144 101 T CB -1.448 67.630 68.868 0.350 0.000 0.864 101 T HN 0.223 nan 8.240 nan 0.000 0.444 102 S N 0.470 116.343 115.700 0.288 0.000 2.607 102 S HA 0.273 4.742 4.470 -0.001 0.000 0.224 102 S C 0.558 175.240 174.600 0.136 0.000 0.969 102 S CA -0.333 57.992 58.200 0.208 0.000 0.927 102 S CB -0.768 62.581 63.200 0.248 0.000 0.772 102 S HN 0.504 nan 8.310 nan 0.000 0.533 103 M N 1.943 121.650 119.600 0.178 0.000 2.508 103 M HA 0.465 4.945 4.480 -0.001 0.000 0.327 103 M C -0.983 175.449 176.300 0.221 0.000 1.160 103 M CA -0.674 54.724 55.300 0.164 0.000 0.980 103 M CB 1.629 34.312 32.600 0.138 0.000 1.693 103 M HN 0.029 nan 8.290 nan 0.000 0.452 104 D N 2.285 122.769 120.400 0.140 0.000 2.277 104 D HA 0.437 5.077 4.640 -0.001 0.000 0.250 104 D C -2.423 173.830 176.300 -0.077 0.000 1.032 104 D CA -1.224 52.822 54.000 0.077 0.000 0.947 104 D CB 0.974 41.838 40.800 0.107 0.000 1.159 104 D HN 0.162 nan 8.370 nan 0.000 0.460 105 P HA 0.050 nan 4.420 nan 0.000 0.268 105 P C -1.651 175.552 177.300 -0.161 0.000 1.208 105 P CA -0.730 62.154 63.100 -0.360 0.000 0.777 105 P CB 0.176 31.418 31.700 -0.765 0.000 0.875 106 P HA -0.109 nan 4.420 nan 0.000 0.222 106 P C 1.281 178.565 177.300 -0.026 0.000 1.153 106 P CA 1.097 64.167 63.100 -0.049 0.000 0.798 106 P CB 0.077 31.773 31.700 -0.006 0.000 0.796 107 E N 0.693 120.905 120.200 0.020 0.000 2.118 107 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 107 E C 2.247 178.944 176.600 0.161 0.000 0.992 107 E CA 0.898 57.349 56.400 0.085 0.000 0.804 107 E CB -0.344 29.426 29.700 0.117 0.000 0.741 107 E HN 0.152 nan 8.360 nan 0.000 0.458 108 Q N 0.677 120.544 119.800 0.111 0.000 2.112 108 Q HA -0.235 4.105 4.340 -0.001 0.000 0.206 108 Q C 2.181 178.261 176.000 0.133 0.000 0.987 108 Q CA 1.620 57.511 55.803 0.148 0.000 0.858 108 Q CB -0.057 28.666 28.738 -0.025 0.000 0.905 108 Q HN 0.343 nan 8.270 nan 0.000 0.420 109 R N 0.310 120.807 120.500 -0.005 0.000 2.081 109 R HA -0.195 4.145 4.340 -0.001 0.000 0.235 109 R C 2.505 178.772 176.300 -0.055 0.000 1.131 109 R CA 1.781 57.852 56.100 -0.049 0.000 0.960 109 R CB -0.471 29.781 30.300 -0.079 0.000 0.856 109 R HN 0.578 nan 8.270 nan 0.000 0.436 110 Q N 0.011 119.729 119.800 -0.136 0.000 2.181 110 Q HA -0.158 4.182 4.340 -0.001 0.000 0.205 110 Q C 1.502 177.323 176.000 -0.298 0.000 0.980 110 Q CA 1.593 57.230 55.803 -0.277 0.000 0.862 110 Q CB -0.403 28.063 28.738 -0.454 0.000 0.905 110 Q HN 0.347 nan 8.270 nan 0.000 0.429 111 F N 0.841 120.781 119.950 -0.016 0.000 2.456 111 F HA 0.145 4.672 4.527 -0.001 0.000 0.298 111 F C 2.403 178.200 175.800 -0.005 0.000 1.104 111 F CA 0.358 58.356 58.000 -0.003 0.000 1.435 111 F CB 0.066 39.075 39.000 0.014 0.000 1.078 111 F HN -0.060 nan 8.300 nan 0.000 0.546 112 R N 0.312 120.886 120.500 0.123 0.000 2.096 112 R HA -0.116 4.224 4.340 -0.001 0.000 0.235 112 R C 2.475 178.799 176.300 0.039 0.000 1.127 112 R CA 1.149 57.288 56.100 0.066 0.000 0.968 112 R CB -0.642 29.667 30.300 0.015 0.000 0.861 112 R HN 0.271 nan 8.270 nan 0.000 0.440 113 A N 1.077 123.903 122.820 0.010 0.000 1.933 113 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 113 A C 2.027 179.618 177.584 0.012 0.000 1.175 113 A CA 1.068 53.104 52.037 -0.002 0.000 0.628 113 A CB -0.387 18.597 19.000 -0.027 0.000 0.814 113 A HN 0.222 nan 8.150 nan 0.000 0.444 114 L N -0.351 120.888 121.223 0.028 0.000 2.056 114 L HA 0.018 4.357 4.340 -0.001 0.000 0.207 114 L C 2.678 179.579 176.870 0.053 0.000 1.078 114 L CA 2.095 56.960 54.840 0.041 0.000 0.749 114 L CB -0.918 41.183 42.059 0.069 0.000 0.901 114 L HN 0.329 nan 8.230 nan 0.000 0.433 115 A N -0.462 122.402 122.820 0.073 0.000 1.902 115 A HA -0.282 4.037 4.320 -0.001 0.000 0.217 115 A C 2.188 179.801 177.584 0.048 0.000 1.181 115 A CA 1.857 53.934 52.037 0.066 0.000 0.623 115 A CB -1.056 17.990 19.000 0.076 0.000 0.818 115 A HN 0.615 nan 8.150 nan 0.000 0.443 116 N N -0.381 118.343 118.700 0.040 0.000 2.205 116 N HA -0.198 4.541 4.740 -0.001 0.000 0.186 116 N C 1.864 177.389 175.510 0.024 0.000 1.015 116 N CA 1.716 54.786 53.050 0.033 0.000 0.862 116 N CB -0.273 38.229 38.487 0.026 0.000 0.986 116 N HN 0.627 nan 8.380 nan 0.000 0.429 117 Q N -0.765 119.046 119.800 0.018 0.000 2.170 117 Q HA -0.103 4.236 4.340 -0.001 0.000 0.203 117 Q C 1.738 177.742 176.000 0.007 0.000 0.976 117 Q CA 1.680 57.487 55.803 0.008 0.000 0.858 117 Q CB 0.163 28.904 28.738 0.005 0.000 0.907 117 Q HN 0.536 nan 8.270 nan 0.000 0.433 118 V N -3.399 116.524 119.914 0.015 0.000 3.565 118 V HA 0.074 4.194 4.120 -0.001 0.000 0.260 118 V C 1.454 177.557 176.094 0.015 0.000 1.231 118 V CA 0.588 62.892 62.300 0.007 0.000 1.100 118 V CB 0.693 32.520 31.823 0.006 0.000 0.807 118 V HN 0.213 nan 8.190 nan 0.000 0.454 119 V N -2.492 117.443 119.914 0.035 0.000 3.382 119 V HA 0.727 4.846 4.120 -0.001 0.000 0.296 119 V C 0.976 177.102 176.094 0.053 0.000 1.529 119 V CA 0.334 62.663 62.300 0.048 0.000 1.048 119 V CB -0.449 31.418 31.823 0.074 0.000 0.878 119 V HN 0.438 nan 8.190 nan 0.000 0.442 120 G N -0.291 108.541 108.800 0.053 0.000 2.535 120 G HA2 0.393 4.353 3.960 -0.001 0.000 0.282 120 G HA3 0.393 4.353 3.960 -0.001 0.000 0.282 120 G C 0.490 175.419 174.900 0.048 0.000 1.350 120 G CA 0.077 45.227 45.100 0.083 0.000 1.039 120 G HN 0.095 nan 8.290 nan 0.000 0.509 121 M N 0.500 120.094 119.600 -0.009 0.000 2.073 121 M HA -0.005 4.474 4.480 -0.001 0.000 0.258 121 M C -0.185 176.086 176.300 -0.047 0.000 1.070 121 M CA 1.791 57.038 55.300 -0.088 0.000 1.103 121 M CB -1.142 31.306 32.600 -0.253 0.000 1.321 121 M HN 0.295 nan 8.290 nan 0.000 0.405 122 P HA -0.134 nan 4.420 nan 0.000 0.216 122 P C 1.723 179.013 177.300 -0.016 0.000 1.150 122 P CA 1.317 64.399 63.100 -0.029 0.000 0.843 122 P CB -0.177 31.507 31.700 -0.027 0.000 0.787 123 V N -0.690 119.218 119.914 -0.010 0.000 2.358 123 V HA -0.185 3.934 4.120 -0.001 0.000 0.246 123 V C 2.450 178.544 176.094 0.000 0.000 1.047 123 V CA 1.604 63.900 62.300 -0.006 0.000 1.035 123 V CB -1.166 30.655 31.823 -0.004 0.000 0.658 123 V HN -0.025 nan 8.190 nan 0.000 0.452 124 V N 0.186 120.106 119.914 0.010 0.000 2.287 124 V HA -0.279 3.841 4.120 -0.001 0.000 0.248 124 V C 2.333 178.437 176.094 0.017 0.000 1.053 124 V CA 2.251 64.564 62.300 0.021 0.000 1.027 124 V CB -0.712 31.136 31.823 0.042 0.000 0.646 124 V HN 0.543 nan 8.190 nan 0.000 0.447 125 D N -0.162 120.241 120.400 0.005 0.000 2.123 125 D HA -0.194 4.445 4.640 -0.001 0.000 0.196 125 D C 2.169 178.473 176.300 0.006 0.000 0.992 125 D CA 1.494 55.497 54.000 0.004 0.000 0.833 125 D CB -0.244 40.551 40.800 -0.008 0.000 0.954 125 D HN 0.423 nan 8.370 nan 0.000 0.455 126 K N 0.447 120.847 120.400 -0.000 0.000 2.044 126 K HA -0.127 4.192 4.320 -0.001 0.000 0.210 126 K C 2.016 178.617 176.600 0.003 0.000 1.049 126 K CA 0.968 57.254 56.287 -0.002 0.000 0.927 126 K CB -0.184 32.311 32.500 -0.008 0.000 0.713 126 K HN 0.129 nan 8.250 nan 0.000 0.443 127 L N 0.579 121.804 121.223 0.004 0.000 2.599 127 L HA 0.008 4.348 4.340 -0.001 0.000 0.230 127 L C 2.080 178.965 176.870 0.025 0.000 1.141 127 L CA 0.161 55.004 54.840 0.005 0.000 0.877 127 L CB -0.118 41.938 42.059 -0.006 0.000 1.009 127 L HN 0.303 nan 8.230 nan 0.000 0.447 128 E N 0.846 121.065 120.200 0.032 0.000 2.097 128 E HA -0.272 4.077 4.350 -0.001 0.000 0.196 128 E C 1.755 178.391 176.600 0.060 0.000 1.000 128 E CA 1.692 58.122 56.400 0.050 0.000 0.804 128 E CB 0.057 29.783 29.700 0.043 0.000 0.740 128 E HN 0.579 nan 8.360 nan 0.000 0.454 129 N N -0.495 118.232 118.700 0.044 0.000 2.084 129 N HA -0.140 4.599 4.740 -0.001 0.000 0.190 129 N C 1.883 177.426 175.510 0.057 0.000 1.030 129 N CA 0.593 53.670 53.050 0.046 0.000 0.849 129 N CB 0.057 38.562 38.487 0.031 0.000 1.012 129 N HN 0.044 nan 8.380 nan 0.000 0.423 130 R N 1.098 121.626 120.500 0.047 0.000 2.096 130 R HA -0.025 4.315 4.340 -0.001 0.000 0.235 130 R C 2.188 178.541 176.300 0.089 0.000 1.127 130 R CA 0.691 56.822 56.100 0.050 0.000 0.968 130 R CB -0.889 29.424 30.300 0.022 0.000 0.861 130 R HN 0.376 nan 8.270 nan 0.000 0.440 131 I N 0.958 121.588 120.570 0.099 0.000 2.099 131 I HA -0.345 3.825 4.170 -0.001 0.000 0.239 131 I C 2.743 179.037 176.117 0.295 0.000 1.066 131 I CA 1.536 62.948 61.300 0.188 0.000 1.324 131 I CB -0.441 37.649 38.000 0.150 0.000 1.037 131 I HN 0.118 nan 8.210 nan 0.000 0.401 132 Q N 1.348 121.263 119.800 0.192 0.000 2.029 132 Q HA -0.316 4.023 4.340 -0.001 0.000 0.209 132 Q C 2.100 178.179 176.000 0.132 0.000 0.999 132 Q CA 2.592 58.485 55.803 0.151 0.000 0.857 132 Q CB -0.349 28.448 28.738 0.098 0.000 0.926 132 Q HN 0.536 nan 8.270 nan 0.000 0.415 133 E N -0.749 119.517 120.200 0.110 0.000 2.118 133 E HA -0.233 4.116 4.350 -0.001 0.000 0.195 133 E C 1.933 178.598 176.600 0.108 0.000 0.992 133 E CA 1.326 57.778 56.400 0.087 0.000 0.804 133 E CB -0.273 29.465 29.700 0.064 0.000 0.741 133 E HN 0.431 nan 8.360 nan 0.000 0.458 134 L N 1.104 122.424 121.223 0.161 0.000 2.027 134 L HA -0.033 4.306 4.340 -0.001 0.000 0.206 134 L C 2.439 179.434 176.870 0.209 0.000 1.074 134 L CA 2.191 57.147 54.840 0.194 0.000 0.745 134 L CB -0.854 41.348 42.059 0.237 0.000 0.898 134 L HN 0.219 nan 8.230 nan 0.000 0.433 135 A N -1.137 121.816 122.820 0.221 0.000 1.883 135 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 135 A C 2.407 180.036 177.584 0.076 0.000 1.186 135 A CA 2.050 54.083 52.037 -0.007 0.000 0.624 135 A CB -1.559 17.331 19.000 -0.184 0.000 0.822 135 A HN 0.636 nan 8.150 nan 0.000 0.444 136 C N -1.287 118.048 119.300 0.057 0.000 2.429 136 C HA -0.060 4.399 4.460 -0.001 0.000 0.277 136 C C 3.319 178.324 174.990 0.024 0.000 1.262 136 C CA 1.386 60.417 59.018 0.022 0.000 1.733 136 C CB -1.181 26.573 27.740 0.022 0.000 2.010 136 C HN 0.697 nan 8.230 nan 0.000 0.483 137 S N 0.222 115.953 115.700 0.053 0.000 2.355 137 S HA -0.075 4.395 4.470 -0.001 0.000 0.222 137 S C 1.761 176.396 174.600 0.059 0.000 1.031 137 S CA 1.344 59.573 58.200 0.048 0.000 0.993 137 S CB -0.272 62.962 63.200 0.056 0.000 0.859 137 S HN 0.590 nan 8.310 nan 0.000 0.453 138 L N 0.844 122.127 121.223 0.100 0.000 2.046 138 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 138 L C 2.380 179.327 176.870 0.128 0.000 1.077 138 L CA 1.293 56.216 54.840 0.139 0.000 0.747 138 L CB -0.516 41.660 42.059 0.194 0.000 0.896 138 L HN 0.363 nan 8.230 nan 0.000 0.432 139 I N -0.437 120.180 120.570 0.079 0.000 2.252 139 I HA -0.257 3.913 4.170 -0.001 0.000 0.245 139 I C 2.612 178.624 176.117 -0.175 0.000 1.102 139 I CA 1.054 62.266 61.300 -0.146 0.000 1.385 139 I CB -0.228 37.602 38.000 -0.282 0.000 1.064 139 I HN 0.245 nan 8.210 nan 0.000 0.414 140 E N 0.827 120.970 120.200 -0.094 0.000 2.110 140 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 140 E C 2.222 178.808 176.600 -0.023 0.000 0.988 140 E CA 1.718 58.075 56.400 -0.070 0.000 0.804 140 E CB -0.254 29.422 29.700 -0.039 0.000 0.745 140 E HN 0.274 nan 8.360 nan 0.000 0.458 141 S N -0.923 114.782 115.700 0.008 0.000 2.382 141 S HA -0.070 4.400 4.470 -0.001 0.000 0.228 141 S C 1.848 176.484 174.600 0.060 0.000 1.027 141 S CA 1.157 59.379 58.200 0.036 0.000 0.991 141 S CB -0.218 63.012 63.200 0.049 0.000 0.823 141 S HN 0.374 nan 8.310 nan 0.000 0.469 142 L N 0.766 122.031 121.223 0.071 0.000 2.209 142 L HA 0.111 4.450 4.340 -0.001 0.000 0.207 142 L C 2.772 179.794 176.870 0.254 0.000 1.094 142 L CA 0.837 55.777 54.840 0.166 0.000 0.790 142 L CB -0.527 41.657 42.059 0.207 0.000 0.932 142 L HN 0.307 nan 8.230 nan 0.000 0.447 143 R N 1.005 121.553 120.500 0.079 0.000 2.133 143 R HA -0.203 4.136 4.340 -0.001 0.000 0.245 143 R C -0.648 175.838 176.300 0.310 0.000 1.137 143 R CA 2.325 58.485 56.100 0.100 0.000 0.947 143 R CB -1.252 28.986 30.300 -0.104 0.000 0.865 143 R HN 0.253 nan 8.270 nan 0.000 0.437 144 P HA -0.048 nan 4.420 nan 0.000 0.241 144 P C 0.379 177.718 177.300 0.064 0.000 1.191 144 P CA 1.025 64.193 63.100 0.113 0.000 0.771 144 P CB 0.049 31.781 31.700 0.054 0.000 0.929 145 Q N -0.411 119.427 119.800 0.063 0.000 2.230 145 Q HA 0.068 4.408 4.340 -0.001 0.000 0.202 145 Q C 1.570 177.382 176.000 -0.313 0.000 0.963 145 Q CA 0.963 56.720 55.803 -0.076 0.000 0.866 145 Q CB -0.519 28.194 28.738 -0.042 0.000 0.931 145 Q HN 0.267 nan 8.270 nan 0.000 0.452 146 G N 1.508 109.936 108.800 -0.619 0.000 2.155 146 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.257 146 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.257 146 G C -0.097 173.784 174.900 -1.697 0.000 0.983 146 G CA 0.823 45.068 45.100 -1.425 0.000 0.676 146 G HN 0.464 nan 8.290 nan 0.000 0.528 147 Q N -1.807 117.083 119.800 -1.517 0.000 2.594 147 Q HA 0.618 4.957 4.340 -0.001 0.000 0.278 147 Q C -0.388 175.448 176.000 -0.274 0.000 0.961 147 Q CA -0.768 54.544 55.803 -0.819 0.000 0.844 147 Q CB 1.387 29.907 28.738 -0.364 0.000 1.475 147 Q HN 1.406 nan 8.270 nan 0.000 0.389 148 C N -0.824 118.531 119.300 0.091 0.000 3.312 148 C HA 0.672 5.131 4.460 -0.001 0.000 0.332 148 C C -1.503 173.621 174.990 0.224 0.000 1.340 148 C CA -0.861 58.305 59.018 0.248 0.000 1.265 148 C CB 0.950 28.983 27.740 0.489 0.000 1.563 148 C HN 1.030 nan 8.230 nan 0.000 0.471 149 N N 0.703 119.512 118.700 0.181 0.000 2.589 149 N HA 0.372 5.112 4.740 -0.001 0.000 0.232 149 N C 0.142 175.762 175.510 0.184 0.000 1.015 149 N CA -0.501 52.641 53.050 0.154 0.000 0.931 149 N CB 0.651 39.192 38.487 0.091 0.000 1.150 149 N HN 0.643 nan 8.380 nan 0.000 0.512 150 F N 2.186 122.185 119.950 0.082 0.000 2.161 150 F HA -0.263 4.263 4.527 -0.001 0.000 0.300 150 F C 2.555 178.387 175.800 0.053 0.000 1.089 150 F CA 1.721 59.755 58.000 0.056 0.000 1.282 150 F CB -0.170 38.783 39.000 -0.078 0.000 1.010 150 F HN 0.436 nan 8.300 nan 0.000 0.485 151 T N -1.360 113.237 114.554 0.073 0.000 2.674 151 T HA -0.262 4.088 4.350 -0.001 0.000 0.265 151 T C 1.618 176.272 174.700 -0.077 0.000 1.039 151 T CA 1.652 63.738 62.100 -0.023 0.000 1.150 151 T CB -0.866 68.008 68.868 0.011 0.000 0.864 151 T HN 0.608 nan 8.240 nan 0.000 0.427 152 E N 1.042 121.225 120.200 -0.028 0.000 2.299 152 E HA -0.016 4.334 4.350 -0.001 0.000 0.193 152 E C 1.420 178.001 176.600 -0.030 0.000 0.998 152 E CA 0.859 57.245 56.400 -0.025 0.000 0.851 152 E CB -0.114 29.589 29.700 0.005 0.000 0.795 152 E HN 0.461 nan 8.360 nan 0.000 0.492 153 D N -0.786 119.601 120.400 -0.022 0.000 2.346 153 D HA -0.000 4.640 4.640 -0.001 0.000 0.206 153 D C 0.729 177.044 176.300 0.025 0.000 1.001 153 D CA 0.716 54.735 54.000 0.031 0.000 0.871 153 D CB 0.273 41.145 40.800 0.120 0.000 0.943 153 D HN 0.254 nan 8.370 nan 0.000 0.518 154 Y N -0.340 119.763 120.300 -0.330 0.000 2.856 154 Y HA 0.325 4.875 4.550 -0.001 0.000 0.252 154 Y C 1.949 177.612 175.900 -0.395 0.000 1.145 154 Y CA 0.546 58.418 58.100 -0.380 0.000 1.204 154 Y CB -0.127 37.997 38.460 -0.559 0.000 1.403 154 Y HN -0.143 nan 8.280 nan 0.000 0.462 155 A N 0.909 123.417 122.820 -0.521 0.000 1.908 155 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 155 A C 1.791 179.312 177.584 -0.106 0.000 1.181 155 A CA 2.315 54.221 52.037 -0.218 0.000 0.627 155 A CB -0.571 18.347 19.000 -0.137 0.000 0.818 155 A HN 0.673 nan 8.150 nan 0.000 0.445 156 E N -0.708 119.415 120.200 -0.129 0.000 2.014 156 E HA -0.089 4.261 4.350 -0.001 0.000 0.190 156 E C -0.570 175.974 176.600 -0.094 0.000 0.980 156 E CA 0.978 57.327 56.400 -0.084 0.000 0.807 156 E CB -0.646 29.018 29.700 -0.061 0.000 0.770 156 E HN 0.476 nan 8.360 nan 0.000 0.451 157 P HA -0.177 nan 4.420 nan 0.000 0.218 157 P C 1.277 178.515 177.300 -0.104 0.000 1.149 157 P CA 1.066 64.114 63.100 -0.086 0.000 0.817 157 P CB -0.047 31.613 31.700 -0.066 0.000 0.785 158 F N 3.420 123.132 119.950 -0.398 0.000 2.014 158 F HA -0.069 4.458 4.527 -0.001 0.000 0.295 158 F C -0.818 174.876 175.800 -0.177 0.000 1.145 158 F CA 1.756 59.504 58.000 -0.419 0.000 1.178 158 F CB -2.062 36.391 39.000 -0.911 0.000 0.972 158 F HN -0.050 nan 8.300 nan 0.000 0.476 159 P HA -0.133 nan 4.420 nan 0.000 0.217 159 P C 2.224 179.416 177.300 -0.180 0.000 1.150 159 P CA 1.939 64.813 63.100 -0.377 0.000 0.832 159 P CB -0.212 31.402 31.700 -0.143 0.000 0.787 160 I N -0.374 120.132 120.570 -0.108 0.000 2.252 160 I HA -0.186 3.983 4.170 -0.001 0.000 0.245 160 I C 2.773 178.898 176.117 0.014 0.000 1.102 160 I CA 1.368 62.656 61.300 -0.020 0.000 1.385 160 I CB -0.443 37.541 38.000 -0.027 0.000 1.064 160 I HN -0.155 nan 8.210 nan 0.000 0.414 161 R N 0.374 120.847 120.500 -0.045 0.000 2.115 161 R HA -0.109 4.230 4.340 -0.001 0.000 0.230 161 R C 2.263 178.531 176.300 -0.052 0.000 1.111 161 R CA 1.057 57.138 56.100 -0.032 0.000 0.976 161 R CB -0.156 30.125 30.300 -0.031 0.000 0.870 161 R HN 0.266 nan 8.270 nan 0.000 0.445 162 I N 0.214 120.714 120.570 -0.116 0.000 2.179 162 I HA -0.285 3.885 4.170 -0.001 0.000 0.242 162 I C 2.184 178.266 176.117 -0.059 0.000 1.088 162 I CA 1.415 62.640 61.300 -0.125 0.000 1.357 162 I CB -0.934 36.916 38.000 -0.249 0.000 1.051 162 I HN 0.077 nan 8.210 nan 0.000 0.409 163 F N 1.501 121.376 119.950 -0.124 0.000 2.134 163 F HA -0.228 4.299 4.527 -0.001 0.000 0.299 163 F C 2.581 178.350 175.800 -0.052 0.000 1.097 163 F CA 1.538 59.488 58.000 -0.082 0.000 1.264 163 F CB -0.139 38.814 39.000 -0.078 0.000 1.001 163 F HN -0.079 nan 8.300 nan 0.000 0.479 164 M N -0.340 119.258 119.600 -0.004 0.000 2.213 164 M HA -0.155 4.325 4.480 -0.001 0.000 0.263 164 M C 2.257 178.476 176.300 -0.134 0.000 1.062 164 M CA 1.210 56.476 55.300 -0.055 0.000 1.105 164 M CB -1.544 31.081 32.600 0.042 0.000 1.385 164 M HN 0.363 nan 8.290 nan 0.000 0.417 165 L N 0.959 122.111 121.223 -0.119 0.000 1.994 165 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 165 L C 2.356 179.129 176.870 -0.161 0.000 1.071 165 L CA 1.537 56.311 54.840 -0.109 0.000 0.745 165 L CB -0.926 41.086 42.059 -0.078 0.000 0.892 165 L HN 0.321 nan 8.230 nan 0.000 0.431 166 L N -0.614 120.470 121.223 -0.232 0.000 2.079 166 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 166 L C 2.125 178.805 176.870 -0.316 0.000 1.081 166 L CA 1.691 56.376 54.840 -0.258 0.000 0.752 166 L CB -0.436 41.452 42.059 -0.284 0.000 0.896 166 L HN 0.314 nan 8.230 nan 0.000 0.433 167 A N -0.489 122.049 122.820 -0.470 0.000 2.218 167 A HA 0.280 4.600 4.320 -0.001 0.000 0.209 167 A C 1.562 179.038 177.584 -0.181 0.000 1.168 167 A CA 0.521 52.321 52.037 -0.395 0.000 0.804 167 A CB -0.602 18.029 19.000 -0.614 0.000 0.834 167 A HN 0.756 nan 8.150 nan 0.000 0.482 168 G N -0.385 108.328 108.800 -0.145 0.000 2.323 168 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.292 168 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.292 168 G C -0.121 174.759 174.900 -0.033 0.000 1.040 168 G CA 0.646 45.702 45.100 -0.074 0.000 0.942 168 G HN 0.485 nan 8.290 nan 0.000 0.506 169 L N 0.458 121.671 121.223 -0.017 0.000 2.334 169 L HA 0.545 4.885 4.340 -0.001 0.000 0.276 169 L C -1.729 175.177 176.870 0.059 0.000 1.014 169 L CA -2.538 52.339 54.840 0.061 0.000 0.815 169 L CB 1.991 44.138 42.059 0.148 0.000 1.268 169 L HN -0.059 nan 8.230 nan 0.000 0.428 170 P HA 0.110 nan 4.420 nan 0.000 0.275 170 P C -0.081 177.260 177.300 0.068 0.000 1.227 170 P CA -0.230 62.905 63.100 0.059 0.000 0.781 170 P CB 0.917 32.651 31.700 0.058 0.000 0.906 171 E N 1.532 121.759 120.200 0.044 0.000 2.204 171 E HA -0.215 4.134 4.350 -0.001 0.000 0.195 171 E C 1.586 178.213 176.600 0.045 0.000 0.990 171 E CA 1.096 57.520 56.400 0.040 0.000 0.821 171 E CB 0.046 29.761 29.700 0.025 0.000 0.750 171 E HN 0.667 nan 8.360 nan 0.000 0.477 172 E N 0.974 121.202 120.200 0.047 0.000 2.331 172 E HA -0.219 4.131 4.350 -0.001 0.000 0.199 172 E C 0.804 177.444 176.600 0.067 0.000 1.008 172 E CA 1.162 57.591 56.400 0.047 0.000 0.843 172 E CB -0.044 29.679 29.700 0.039 0.000 0.761 172 E HN 0.151 nan 8.360 nan 0.000 0.507 173 D N 0.820 121.277 120.400 0.094 0.000 2.347 173 D HA 0.047 4.686 4.640 -0.001 0.000 0.215 173 D C 1.801 178.148 176.300 0.078 0.000 0.976 173 D CA 0.280 54.355 54.000 0.125 0.000 0.884 173 D CB -0.043 40.886 40.800 0.216 0.000 0.915 173 D HN 0.315 nan 8.370 nan 0.000 0.526 174 I N 1.396 121.999 120.570 0.056 0.000 2.118 174 I HA -0.233 3.936 4.170 -0.001 0.000 0.241 174 I C -0.578 175.557 176.117 0.030 0.000 1.070 174 I CA 1.299 62.617 61.300 0.030 0.000 1.327 174 I CB -1.235 36.780 38.000 0.024 0.000 1.034 174 I HN 0.018 nan 8.210 nan 0.000 0.405 175 P HA -0.207 nan 4.420 nan 0.000 0.215 175 P C 1.445 178.802 177.300 0.096 0.000 1.153 175 P CA 1.633 64.770 63.100 0.062 0.000 0.853 175 P CB -0.071 31.664 31.700 0.058 0.000 0.788 176 H N -0.406 118.669 119.070 0.008 0.000 2.299 176 H HA -0.035 4.521 4.556 -0.001 0.000 0.302 176 H C 1.807 177.137 175.328 0.002 0.000 1.078 176 H CA 1.514 57.571 56.048 0.016 0.000 1.323 176 H CB -1.002 28.758 29.762 -0.004 0.000 1.381 176 H HN -0.053 nan 8.280 nan 0.000 0.498 177 L N -0.121 121.015 121.223 -0.145 0.000 2.093 177 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 177 L C 2.492 179.251 176.870 -0.184 0.000 1.085 177 L CA 1.468 56.147 54.840 -0.269 0.000 0.755 177 L CB -0.368 41.529 42.059 -0.269 0.000 0.904 177 L HN 0.210 nan 8.230 nan 0.000 0.435 178 K N 0.069 120.413 120.400 -0.093 0.000 2.057 178 K HA -0.240 4.079 4.320 -0.001 0.000 0.206 178 K C 2.126 178.687 176.600 -0.065 0.000 1.050 178 K CA 1.484 57.729 56.287 -0.069 0.000 0.935 178 K CB -0.611 31.873 32.500 -0.027 0.000 0.715 178 K HN 0.223 nan 8.250 nan 0.000 0.439 179 Y N 0.856 121.080 120.300 -0.127 0.000 2.128 179 Y HA -0.203 4.347 4.550 -0.001 0.000 0.284 179 Y C 1.611 177.420 175.900 -0.150 0.000 1.154 179 Y CA 2.029 60.058 58.100 -0.118 0.000 1.149 179 Y CB -0.258 38.141 38.460 -0.102 0.000 0.976 179 Y HN 0.026 nan 8.280 nan 0.000 0.505 180 L N -0.226 120.812 121.223 -0.308 0.000 2.017 180 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 180 L C 2.697 179.373 176.870 -0.325 0.000 1.073 180 L CA 2.068 56.684 54.840 -0.372 0.000 0.745 180 L CB -1.291 40.579 42.059 -0.315 0.000 0.894 180 L HN 0.442 nan 8.230 nan 0.000 0.432 181 T N -3.631 110.781 114.554 -0.237 0.000 2.746 181 T HA -0.200 4.150 4.350 -0.001 0.000 0.267 181 T C 1.481 176.109 174.700 -0.121 0.000 1.039 181 T CA 1.492 63.502 62.100 -0.150 0.000 1.142 181 T CB -0.428 68.364 68.868 -0.127 0.000 0.866 181 T HN 0.194 nan 8.240 nan 0.000 0.444 182 D N 1.197 121.495 120.400 -0.169 0.000 2.178 182 D HA -0.066 4.574 4.640 -0.001 0.000 0.201 182 D C 2.413 178.619 176.300 -0.156 0.000 0.980 182 D CA 0.799 54.720 54.000 -0.132 0.000 0.842 182 D CB -0.305 40.417 40.800 -0.131 0.000 0.948 182 D HN 0.376 nan 8.370 nan 0.000 0.472 183 Q N -0.434 119.184 119.800 -0.303 0.000 2.291 183 Q HA 0.030 4.370 4.340 -0.001 0.000 0.205 183 Q C 2.058 178.009 176.000 -0.083 0.000 0.970 183 Q CA 0.584 56.233 55.803 -0.257 0.000 0.876 183 Q CB -0.221 28.275 28.738 -0.402 0.000 0.935 183 Q HN 0.449 nan 8.270 nan 0.000 0.455 184 M N -0.383 119.200 119.600 -0.029 0.000 2.447 184 M HA -0.046 4.434 4.480 -0.001 0.000 0.264 184 M C 1.684 178.227 176.300 0.405 0.000 1.095 184 M CA 1.521 56.952 55.300 0.217 0.000 1.125 184 M CB 0.126 32.810 32.600 0.140 0.000 1.389 184 M HN 0.244 nan 8.290 nan 0.000 0.459 185 T N -2.662 112.026 114.554 0.222 0.000 3.026 185 T HA 0.207 4.556 4.350 -0.001 0.000 0.245 185 T C 1.044 175.874 174.700 0.216 0.000 1.004 185 T CA -0.189 62.029 62.100 0.197 0.000 1.069 185 T CB 0.233 69.183 68.868 0.136 0.000 1.005 185 T HN 0.234 nan 8.240 nan 0.000 0.472 186 R N 2.200 122.788 120.500 0.145 0.000 2.638 186 R HA 0.323 4.662 4.340 -0.001 0.000 0.261 186 R C -2.990 173.333 176.300 0.038 0.000 1.515 186 R CA -1.552 54.637 56.100 0.148 0.000 1.623 186 R CB 1.262 31.633 30.300 0.117 0.000 1.347 186 R HN 0.352 nan 8.270 nan 0.000 0.705 187 P HA -0.036 nan 4.420 nan 0.000 0.265 187 P C -0.233 177.029 177.300 -0.064 0.000 1.193 187 P CA 0.219 63.269 63.100 -0.083 0.000 0.765 187 P CB 0.851 32.474 31.700 -0.129 0.000 0.823 188 D N 1.474 121.848 120.400 -0.042 0.000 2.340 188 D HA 0.076 4.716 4.640 -0.001 0.000 0.220 188 D C 1.398 177.694 176.300 -0.006 0.000 1.039 188 D CA 0.469 54.466 54.000 -0.005 0.000 0.866 188 D CB -0.419 40.401 40.800 0.034 0.000 0.913 188 D HN 0.615 nan 8.370 nan 0.000 0.523 189 G N 0.073 108.857 108.800 -0.026 0.000 2.213 189 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.236 189 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.236 189 G C 1.263 176.167 174.900 0.007 0.000 0.991 189 G CA 0.672 45.759 45.100 -0.022 0.000 0.629 189 G HN 0.660 nan 8.290 nan 0.000 0.517 190 S N -0.747 114.976 115.700 0.038 0.000 2.481 190 S HA 0.454 4.924 4.470 -0.001 0.000 0.231 190 S C 0.955 175.597 174.600 0.070 0.000 0.996 190 S CA 1.262 59.506 58.200 0.072 0.000 0.942 190 S CB 0.110 63.393 63.200 0.139 0.000 0.768 190 S HN 0.557 nan 8.310 nan 0.000 0.520 191 M N 2.030 121.652 119.600 0.037 0.000 2.378 191 M HA 0.300 4.779 4.480 -0.001 0.000 0.289 191 M C -0.552 175.742 176.300 -0.011 0.000 1.136 191 M CA -0.534 54.775 55.300 0.016 0.000 0.917 191 M CB 2.630 35.230 32.600 0.001 0.000 1.669 191 M HN 0.245 nan 8.290 nan 0.000 0.461 192 T N -1.074 113.481 114.554 0.003 0.000 2.813 192 T HA 0.188 4.538 4.350 -0.001 0.000 0.297 192 T C 0.849 175.569 174.700 0.034 0.000 1.036 192 T CA -0.360 61.757 62.100 0.029 0.000 1.044 192 T CB 0.745 69.641 68.868 0.046 0.000 0.993 192 T HN 0.588 nan 8.240 nan 0.000 0.535 193 F N 1.791 121.721 119.950 -0.034 0.000 2.091 193 F HA -0.076 4.450 4.527 -0.001 0.000 0.299 193 F C 2.586 178.341 175.800 -0.076 0.000 1.103 193 F CA 2.148 60.130 58.000 -0.029 0.000 1.228 193 F CB -0.968 38.051 39.000 0.032 0.000 0.984 193 F HN 0.762 nan 8.300 nan 0.000 0.477 194 A N 0.100 123.026 122.820 0.177 0.000 1.892 194 A HA -0.267 4.053 4.320 -0.001 0.000 0.218 194 A C 2.053 179.582 177.584 -0.092 0.000 1.188 194 A CA 2.132 54.201 52.037 0.052 0.000 0.631 194 A CB -1.023 18.034 19.000 0.094 0.000 0.822 194 A HN 0.611 nan 8.150 nan 0.000 0.447 195 E N -0.345 119.818 120.200 -0.062 0.000 2.077 195 E HA -0.069 4.281 4.350 -0.001 0.000 0.193 195 E C 2.301 178.826 176.600 -0.125 0.000 0.989 195 E CA 0.994 57.357 56.400 -0.062 0.000 0.800 195 E CB -0.304 29.387 29.700 -0.015 0.000 0.746 195 E HN 0.631 nan 8.360 nan 0.000 0.452 196 A N 1.714 124.407 122.820 -0.212 0.000 1.898 196 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 196 A C 2.085 179.441 177.584 -0.381 0.000 1.181 196 A CA 1.553 53.423 52.037 -0.278 0.000 0.620 196 A CB -0.369 18.424 19.000 -0.346 0.000 0.819 196 A HN 0.073 nan 8.150 nan 0.000 0.442 197 K N -0.480 119.565 120.400 -0.591 0.000 2.026 197 K HA -0.182 4.138 4.320 -0.001 0.000 0.208 197 K C 1.761 178.021 176.600 -0.568 0.000 1.048 197 K CA 1.551 57.403 56.287 -0.724 0.000 0.929 197 K CB -0.147 31.807 32.500 -0.910 0.000 0.713 197 K HN 0.360 nan 8.250 nan 0.000 0.439 198 E N 0.352 120.376 120.200 -0.294 0.000 2.110 198 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 198 E C 1.900 178.501 176.600 0.002 0.000 0.988 198 E CA 1.112 57.469 56.400 -0.072 0.000 0.804 198 E CB -0.190 29.511 29.700 0.003 0.000 0.745 198 E HN 0.444 nan 8.360 nan 0.000 0.458 199 A N 1.075 123.876 122.820 -0.032 0.000 1.930 199 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 199 A C 2.221 179.857 177.584 0.087 0.000 1.175 199 A CA 1.010 53.079 52.037 0.054 0.000 0.627 199 A CB -0.474 18.554 19.000 0.047 0.000 0.815 199 A HN 0.228 nan 8.150 nan 0.000 0.443 200 L N -1.515 119.686 121.223 -0.037 0.000 2.056 200 L HA -0.110 4.230 4.340 -0.001 0.000 0.207 200 L C 2.242 179.250 176.870 0.231 0.000 1.078 200 L CA 1.809 56.659 54.840 0.018 0.000 0.749 200 L CB -0.812 41.176 42.059 -0.119 0.000 0.901 200 L HN 0.457 nan 8.230 nan 0.000 0.433 201 Y N -0.326 120.035 120.300 0.102 0.000 2.242 201 Y HA -0.204 4.346 4.550 -0.001 0.000 0.291 201 Y C 2.553 178.515 175.900 0.103 0.000 1.137 201 Y CA 1.145 59.303 58.100 0.097 0.000 1.181 201 Y CB -1.051 37.447 38.460 0.063 0.000 0.989 201 Y HN 0.377 nan 8.280 nan 0.000 0.527 202 D N -1.070 119.492 120.400 0.269 0.000 2.149 202 D HA -0.255 4.384 4.640 -0.001 0.000 0.198 202 D C 2.145 178.565 176.300 0.200 0.000 0.990 202 D CA 1.144 55.258 54.000 0.190 0.000 0.839 202 D CB -0.366 40.532 40.800 0.163 0.000 0.948 202 D HN 0.364 nan 8.370 nan 0.000 0.460 203 Y N 0.348 120.727 120.300 0.133 0.000 2.163 203 Y HA -0.042 4.508 4.550 -0.001 0.000 0.288 203 Y C 1.918 177.876 175.900 0.097 0.000 1.136 203 Y CA 1.403 59.575 58.100 0.120 0.000 1.147 203 Y CB -0.151 38.405 38.460 0.161 0.000 0.987 203 Y HN -0.003 nan 8.280 nan 0.000 0.509 204 L N -0.558 120.820 121.223 0.259 0.000 2.179 204 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 204 L C 2.347 179.233 176.870 0.027 0.000 1.096 204 L CA 0.815 55.739 54.840 0.141 0.000 0.779 204 L CB -0.444 41.756 42.059 0.235 0.000 0.922 204 L HN 0.264 nan 8.230 nan 0.000 0.443 205 I N 0.360 120.954 120.570 0.041 0.000 2.113 205 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 205 I C -0.299 175.800 176.117 -0.029 0.000 1.064 205 I CA 1.791 63.091 61.300 -0.000 0.000 1.320 205 I CB -1.308 36.699 38.000 0.012 0.000 1.028 205 I HN 0.250 nan 8.210 nan 0.000 0.406 206 P HA -0.114 nan 4.420 nan 0.000 0.217 206 P C 1.833 179.087 177.300 -0.078 0.000 1.150 206 P CA 1.584 64.645 63.100 -0.064 0.000 0.832 206 P CB -0.077 31.575 31.700 -0.080 0.000 0.787 207 I N -1.010 119.494 120.570 -0.109 0.000 2.252 207 I HA -0.190 3.980 4.170 -0.001 0.000 0.245 207 I C 2.447 178.531 176.117 -0.055 0.000 1.102 207 I CA 1.238 62.476 61.300 -0.103 0.000 1.385 207 I CB -0.543 37.368 38.000 -0.148 0.000 1.064 207 I HN -0.178 nan 8.210 nan 0.000 0.414 208 I N 0.573 121.120 120.570 -0.038 0.000 2.226 208 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 208 I C 2.629 178.731 176.117 -0.026 0.000 1.100 208 I CA 1.313 62.599 61.300 -0.023 0.000 1.374 208 I CB -0.278 37.712 38.000 -0.017 0.000 1.057 208 I HN 0.232 nan 8.210 nan 0.000 0.413 209 E N 1.147 121.329 120.200 -0.030 0.000 2.058 209 E HA -0.308 4.041 4.350 -0.001 0.000 0.194 209 E C 2.122 178.706 176.600 -0.027 0.000 0.997 209 E CA 1.724 58.108 56.400 -0.026 0.000 0.801 209 E CB -0.278 29.406 29.700 -0.027 0.000 0.746 209 E HN 0.430 nan 8.360 nan 0.000 0.450 210 Q N -0.225 119.555 119.800 -0.033 0.000 2.096 210 Q HA -0.165 4.174 4.340 -0.001 0.000 0.204 210 Q C 2.032 178.016 176.000 -0.027 0.000 0.982 210 Q CA 1.666 57.450 55.803 -0.032 0.000 0.850 210 Q CB -0.008 28.705 28.738 -0.041 0.000 0.901 210 Q HN 0.205 nan 8.270 nan 0.000 0.422 211 R N -0.770 119.714 120.500 -0.027 0.000 2.240 211 R HA 0.066 4.406 4.340 -0.001 0.000 0.203 211 R C 2.135 178.424 176.300 -0.018 0.000 1.011 211 R CA 0.388 56.474 56.100 -0.023 0.000 1.007 211 R CB 0.136 30.421 30.300 -0.024 0.000 0.911 211 R HN 0.159 nan 8.270 nan 0.000 0.468 212 R N 0.155 120.645 120.500 -0.017 0.000 2.119 212 R HA -0.012 4.327 4.340 -0.001 0.000 0.222 212 R C 2.052 178.344 176.300 -0.013 0.000 1.088 212 R CA 0.767 56.859 56.100 -0.013 0.000 0.984 212 R CB 0.131 30.424 30.300 -0.012 0.000 0.884 212 R HN 0.122 nan 8.270 nan 0.000 0.447 213 Q N 0.809 120.600 119.800 -0.015 0.000 2.049 213 Q HA -0.025 4.314 4.340 -0.001 0.000 0.198 213 Q C 0.143 176.134 176.000 -0.015 0.000 0.971 213 Q CA 1.425 57.219 55.803 -0.015 0.000 0.833 213 Q CB 0.282 29.011 28.738 -0.016 0.000 0.896 213 Q HN 0.173 nan 8.270 nan 0.000 0.434 214 K N 0.867 121.257 120.400 -0.016 0.000 2.687 214 K HA 0.364 4.684 4.320 -0.001 0.000 0.197 214 K C -2.631 173.959 176.600 -0.018 0.000 1.049 214 K CA -1.523 54.754 56.287 -0.016 0.000 1.030 214 K CB 1.694 34.184 32.500 -0.017 0.000 1.261 214 K HN -0.075 nan 8.250 nan 0.000 0.565 215 P HA -0.012 nan 4.420 nan 0.000 0.265 215 P C 0.135 177.424 177.300 -0.018 0.000 1.193 215 P CA 0.055 63.145 63.100 -0.017 0.000 0.765 215 P CB 1.055 32.746 31.700 -0.014 0.000 0.823 216 G N 0.779 109.567 108.800 -0.021 0.000 2.990 216 G HA2 0.434 4.393 3.960 -0.001 0.000 0.208 216 G HA3 0.434 4.393 3.960 -0.001 0.000 0.208 216 G C 0.495 175.380 174.900 -0.025 0.000 1.334 216 G CA -0.199 44.887 45.100 -0.023 0.000 1.024 216 G HN 0.418 nan 8.290 nan 0.000 0.574 217 T N -1.638 112.899 114.554 -0.028 0.000 3.069 217 T HA 0.167 4.517 4.350 -0.001 0.000 0.252 217 T C 0.539 175.215 174.700 -0.040 0.000 1.053 217 T CA 0.414 62.496 62.100 -0.030 0.000 0.964 217 T CB -0.301 68.551 68.868 -0.027 0.000 1.005 217 T HN 0.587 nan 8.240 nan 0.000 0.532 218 D N 1.065 121.436 120.400 -0.047 0.000 2.377 218 D HA 0.326 4.965 4.640 -0.001 0.000 0.245 218 D C 1.449 177.708 176.300 -0.067 0.000 1.196 218 D CA -0.098 53.861 54.000 -0.068 0.000 0.962 218 D CB 1.408 42.164 40.800 -0.073 0.000 1.127 218 D HN 0.106 nan 8.370 nan 0.000 0.471 219 A N 1.014 123.775 122.820 -0.098 0.000 1.933 219 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 219 A C 2.382 179.940 177.584 -0.044 0.000 1.175 219 A CA 1.100 53.090 52.037 -0.079 0.000 0.628 219 A CB -0.759 18.163 19.000 -0.130 0.000 0.814 219 A HN 0.665 nan 8.150 nan 0.000 0.444 220 I N -0.553 119.990 120.570 -0.046 0.000 2.252 220 I HA -0.212 3.958 4.170 -0.001 0.000 0.245 220 I C 2.693 178.802 176.117 -0.012 0.000 1.102 220 I CA 1.371 62.663 61.300 -0.013 0.000 1.385 220 I CB -0.440 37.558 38.000 -0.004 0.000 1.064 220 I HN 0.223 nan 8.210 nan 0.000 0.414 221 S N 1.041 116.727 115.700 -0.023 0.000 2.359 221 S HA -0.160 4.310 4.470 -0.001 0.000 0.224 221 S C 2.009 176.602 174.600 -0.013 0.000 1.035 221 S CA 1.469 59.658 58.200 -0.019 0.000 1.018 221 S CB -0.335 62.851 63.200 -0.024 0.000 0.876 221 S HN 0.326 nan 8.310 nan 0.000 0.448 222 I N 0.810 121.371 120.570 -0.015 0.000 2.252 222 I HA -0.133 4.037 4.170 -0.001 0.000 0.245 222 I C 2.175 178.295 176.117 0.004 0.000 1.102 222 I CA 0.855 62.151 61.300 -0.008 0.000 1.385 222 I CB -0.459 37.534 38.000 -0.012 0.000 1.064 222 I HN 0.144 nan 8.210 nan 0.000 0.414 223 V N 1.059 120.979 119.914 0.011 0.000 2.307 223 V HA -0.266 3.853 4.120 -0.001 0.000 0.245 223 V C 2.698 178.809 176.094 0.028 0.000 1.045 223 V CA 2.015 64.332 62.300 0.029 0.000 1.024 223 V CB -0.950 30.894 31.823 0.036 0.000 0.651 223 V HN 0.494 nan 8.190 nan 0.000 0.449 224 A N 0.111 122.940 122.820 0.015 0.000 2.019 224 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 224 A C 1.756 179.345 177.584 0.009 0.000 1.164 224 A CA 2.066 54.109 52.037 0.011 0.000 0.644 224 A CB -0.623 18.377 19.000 0.000 0.000 0.805 224 A HN 0.693 nan 8.150 nan 0.000 0.449 225 N N -0.770 117.933 118.700 0.005 0.000 2.214 225 N HA 0.294 5.033 4.740 -0.001 0.000 0.214 225 N C 0.662 176.174 175.510 0.003 0.000 1.132 225 N CA 0.268 53.318 53.050 0.001 0.000 0.856 225 N CB 0.640 39.124 38.487 -0.005 0.000 1.020 225 N HN 0.415 nan 8.380 nan 0.000 0.509 226 G N -0.017 108.790 108.800 0.011 0.000 2.599 226 G HA2 0.297 4.257 3.960 -0.001 0.000 0.264 226 G HA3 0.297 4.257 3.960 -0.001 0.000 0.264 226 G C -0.449 174.452 174.900 0.002 0.000 1.200 226 G CA -0.328 44.777 45.100 0.009 0.000 0.896 226 G HN 0.123 nan 8.290 nan 0.000 0.536 227 Q N -1.325 118.467 119.800 -0.013 0.000 2.306 227 Q HA 0.514 4.854 4.340 -0.001 0.000 0.265 227 Q C -0.674 175.287 176.000 -0.064 0.000 1.022 227 Q CA -0.920 54.863 55.803 -0.032 0.000 0.853 227 Q CB 2.682 31.399 28.738 -0.035 0.000 1.327 227 Q HN 0.502 nan 8.270 nan 0.000 0.449 228 V N -0.455 119.394 119.914 -0.110 0.000 2.407 228 V HA 0.372 4.492 4.120 -0.001 0.000 0.291 228 V C -0.088 175.886 176.094 -0.200 0.000 1.018 228 V CA -0.829 61.340 62.300 -0.218 0.000 0.842 228 V CB 1.106 32.654 31.823 -0.458 0.000 0.996 228 V HN 0.969 nan 8.190 nan 0.000 0.426 229 N N 3.575 122.174 118.700 -0.168 0.000 2.707 229 N HA -0.248 4.492 4.740 -0.001 0.000 0.253 229 N C 1.173 176.629 175.510 -0.090 0.000 0.998 229 N CA 0.710 53.687 53.050 -0.122 0.000 0.751 229 N CB -0.895 37.512 38.487 -0.135 0.000 0.920 229 N HN 1.807 nan 8.380 nan 0.000 0.539 230 G N -0.558 108.197 108.800 -0.075 0.000 2.159 230 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.256 230 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.256 230 G C 0.072 174.944 174.900 -0.047 0.000 0.977 230 G CA 0.797 45.865 45.100 -0.053 0.000 0.652 230 G HN 0.745 nan 8.290 nan 0.000 0.531 231 R N -0.763 119.704 120.500 -0.056 0.000 2.807 231 R HA 0.793 5.133 4.340 -0.001 0.000 0.276 231 R C -3.260 173.019 176.300 -0.035 0.000 0.979 231 R CA -2.612 53.463 56.100 -0.041 0.000 0.928 231 R CB 0.368 30.645 30.300 -0.039 0.000 1.191 231 R HN 0.051 nan 8.270 nan 0.000 0.471 232 P HA 0.086 nan 4.420 nan 0.000 0.271 232 P C -0.308 176.997 177.300 0.010 0.000 1.216 232 P CA -0.250 62.847 63.100 -0.006 0.000 0.771 232 P CB 0.501 32.200 31.700 -0.002 0.000 0.864 233 I N 2.580 123.165 120.570 0.025 0.000 2.754 233 I HA 0.053 4.222 4.170 -0.001 0.000 0.285 233 I C 0.835 176.984 176.117 0.053 0.000 1.166 233 I CA 0.157 61.499 61.300 0.069 0.000 1.417 233 I CB 0.725 38.783 38.000 0.097 0.000 1.382 233 I HN 0.410 nan 8.210 nan 0.000 0.588 234 T N 2.325 116.920 114.554 0.067 0.000 2.882 234 T HA 0.173 4.522 4.350 -0.001 0.000 0.287 234 T C 1.107 175.817 174.700 0.017 0.000 1.014 234 T CA -0.438 61.683 62.100 0.035 0.000 1.049 234 T CB 1.513 70.401 68.868 0.033 0.000 1.001 234 T HN 0.666 nan 8.240 nan 0.000 0.525 235 S N 0.750 116.449 115.700 -0.003 0.000 2.374 235 S HA -0.164 4.305 4.470 -0.001 0.000 0.227 235 S C 1.675 176.246 174.600 -0.048 0.000 1.037 235 S CA 1.790 59.977 58.200 -0.022 0.000 1.024 235 S CB -0.681 62.503 63.200 -0.026 0.000 0.861 235 S HN 0.982 nan 8.310 nan 0.000 0.456 236 D N 0.809 121.177 120.400 -0.054 0.000 2.097 236 D HA -0.127 4.512 4.640 -0.001 0.000 0.195 236 D C 1.922 178.160 176.300 -0.104 0.000 0.989 236 D CA 1.355 55.296 54.000 -0.098 0.000 0.827 236 D CB -0.146 40.612 40.800 -0.071 0.000 0.966 236 D HN 0.459 nan 8.370 nan 0.000 0.456 237 E N -0.121 120.053 120.200 -0.043 0.000 2.077 237 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 237 E C 2.154 178.730 176.600 -0.039 0.000 0.989 237 E CA 1.051 57.425 56.400 -0.043 0.000 0.800 237 E CB -0.204 29.551 29.700 0.092 0.000 0.746 237 E HN 0.386 nan 8.360 nan 0.000 0.452 238 A N 1.616 124.433 122.820 -0.006 0.000 1.933 238 A HA -0.235 4.084 4.320 -0.001 0.000 0.218 238 A C 2.065 179.633 177.584 -0.027 0.000 1.175 238 A CA 1.567 53.606 52.037 0.004 0.000 0.628 238 A CB -0.376 18.630 19.000 0.009 0.000 0.814 238 A HN 0.072 nan 8.150 nan 0.000 0.444 239 K N -0.275 120.078 120.400 -0.078 0.000 2.026 239 K HA -0.159 4.160 4.320 -0.001 0.000 0.208 239 K C 2.189 178.730 176.600 -0.098 0.000 1.048 239 K CA 1.535 57.747 56.287 -0.126 0.000 0.929 239 K CB -0.179 32.154 32.500 -0.277 0.000 0.713 239 K HN 0.444 nan 8.250 nan 0.000 0.439 240 R N 0.065 120.489 120.500 -0.126 0.000 2.148 240 R HA -0.051 4.289 4.340 -0.001 0.000 0.227 240 R C 2.336 178.663 176.300 0.046 0.000 1.103 240 R CA 1.390 57.530 56.100 0.067 0.000 0.983 240 R CB -0.179 30.122 30.300 0.002 0.000 0.874 240 R HN 0.337 nan 8.270 nan 0.000 0.451 241 M N -0.233 119.345 119.600 -0.038 0.000 2.193 241 M HA -0.119 4.361 4.480 -0.001 0.000 0.265 241 M C 1.780 178.044 176.300 -0.061 0.000 1.071 241 M CA 1.526 56.797 55.300 -0.047 0.000 1.140 241 M CB 0.054 32.651 32.600 -0.006 0.000 1.369 241 M HN 0.186 nan 8.290 nan 0.000 0.423 242 C N 0.775 120.064 119.300 -0.018 0.000 2.435 242 C HA -0.014 4.446 4.460 -0.001 0.000 0.279 242 C C 2.748 177.702 174.990 -0.059 0.000 1.321 242 C CA 0.871 59.896 59.018 0.012 0.000 1.752 242 C CB -1.937 25.840 27.740 0.061 0.000 1.959 242 C HN 0.822 nan 8.230 nan 0.000 0.500 243 G N 0.482 109.206 108.800 -0.126 0.000 2.421 243 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.216 243 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.216 243 G C 1.510 175.814 174.900 -0.993 0.000 1.171 243 G CA 0.939 45.807 45.100 -0.387 0.000 0.775 243 G HN 0.457 nan 8.290 nan 0.000 0.543 244 L N 0.568 121.120 121.223 -1.119 0.000 2.046 244 L HA 0.073 4.413 4.340 -0.001 0.000 0.208 244 L C 2.728 179.380 176.870 -0.364 0.000 1.077 244 L CA 1.368 55.720 54.840 -0.813 0.000 0.747 244 L CB -0.458 41.385 42.059 -0.361 0.000 0.896 244 L HN 0.220 nan 8.230 nan 0.000 0.432 245 L N -1.520 119.581 121.223 -0.203 0.000 2.083 245 L HA -0.235 4.104 4.340 -0.001 0.000 0.209 245 L C 2.493 179.190 176.870 -0.288 0.000 1.083 245 L CA 0.631 55.435 54.840 -0.060 0.000 0.752 245 L CB -0.700 41.466 42.059 0.178 0.000 0.899 245 L HN 0.302 nan 8.230 nan 0.000 0.433 246 L N -0.420 120.654 121.223 -0.247 0.000 2.012 246 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 246 L C 2.625 179.209 176.870 -0.475 0.000 1.073 246 L CA 1.662 56.257 54.840 -0.409 0.000 0.748 246 L CB -0.956 41.008 42.059 -0.159 0.000 0.891 246 L HN 0.117 nan 8.230 nan 0.000 0.431 247 V N -0.001 119.718 119.914 -0.325 0.000 2.287 247 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 247 V C 2.678 178.655 176.094 -0.196 0.000 1.053 247 V CA 1.821 64.007 62.300 -0.189 0.000 1.027 247 V CB -1.372 30.435 31.823 -0.027 0.000 0.646 247 V HN 0.563 nan 8.190 nan 0.000 0.447 248 G N 0.051 108.720 108.800 -0.218 0.000 2.418 248 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.217 248 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.217 248 G C 1.603 176.335 174.900 -0.280 0.000 1.158 248 G CA 0.948 45.947 45.100 -0.168 0.000 0.771 248 G HN 0.601 nan 8.290 nan 0.000 0.545 249 G N 0.146 108.560 108.800 -0.644 0.000 2.422 249 G HA2 0.035 3.995 3.960 -0.001 0.000 0.218 249 G HA3 0.035 3.995 3.960 -0.001 0.000 0.218 249 G C 1.527 176.163 174.900 -0.441 0.000 1.140 249 G CA 0.601 45.224 45.100 -0.795 0.000 0.775 249 G HN 0.359 nan 8.290 nan 0.000 0.545 250 L N -0.692 120.295 121.223 -0.394 0.000 2.556 250 L HA 0.373 4.712 4.340 -0.001 0.000 0.226 250 L C 0.765 177.564 176.870 -0.119 0.000 1.089 250 L CA 0.738 55.448 54.840 -0.217 0.000 0.864 250 L CB 0.751 42.683 42.059 -0.212 0.000 1.067 250 L HN 0.067 nan 8.230 nan 0.000 0.477 251 D N -2.261 118.082 120.400 -0.094 0.000 2.785 251 D HA 0.109 4.748 4.640 -0.001 0.000 0.324 251 D C 1.022 177.329 176.300 0.013 0.000 1.523 251 D CA 0.852 54.834 54.000 -0.029 0.000 0.789 251 D CB 0.489 41.280 40.800 -0.014 0.000 1.171 251 D HN 0.223 nan 8.370 nan 0.000 0.447 252 T N -4.288 110.276 114.554 0.017 0.000 3.447 252 T HA 0.079 4.428 4.350 -0.001 0.000 0.218 252 T C 1.820 176.592 174.700 0.120 0.000 0.972 252 T CA 0.555 62.692 62.100 0.062 0.000 1.264 252 T CB -0.511 68.387 68.868 0.049 0.000 1.284 252 T HN -0.162 nan 8.240 nan 0.000 0.361 253 V N 2.453 122.436 119.914 0.115 0.000 2.392 253 V HA -0.156 3.963 4.120 -0.001 0.000 0.249 253 V C 2.922 179.138 176.094 0.203 0.000 1.059 253 V CA 1.681 64.097 62.300 0.194 0.000 1.051 253 V CB -1.017 30.897 31.823 0.152 0.000 0.658 253 V HN 0.425 nan 8.190 nan 0.000 0.455 254 V N 0.867 120.843 119.914 0.104 0.000 2.282 254 V HA -0.311 3.809 4.120 -0.001 0.000 0.249 254 V C 2.322 178.455 176.094 0.064 0.000 1.057 254 V CA 2.471 64.811 62.300 0.066 0.000 1.032 254 V CB -0.782 31.043 31.823 0.003 0.000 0.645 254 V HN 0.631 nan 8.190 nan 0.000 0.447 255 N N -0.722 118.017 118.700 0.065 0.000 2.135 255 N HA -0.117 4.623 4.740 -0.001 0.000 0.186 255 N C 1.808 177.340 175.510 0.038 0.000 1.027 255 N CA 1.528 54.571 53.050 -0.011 0.000 0.849 255 N CB -0.426 38.092 38.487 0.051 0.000 1.002 255 N HN 0.527 nan 8.380 nan 0.000 0.425 256 F N 2.431 122.454 119.950 0.121 0.000 2.126 256 F HA -0.097 4.430 4.527 -0.001 0.000 0.299 256 F C 2.189 178.073 175.800 0.139 0.000 1.096 256 F CA 1.030 59.156 58.000 0.209 0.000 1.255 256 F CB -0.252 38.826 39.000 0.130 0.000 0.997 256 F HN -0.085 nan 8.300 nan 0.000 0.479 257 L N -0.577 120.731 121.223 0.142 0.000 2.043 257 L HA -0.307 4.032 4.340 -0.001 0.000 0.212 257 L C 2.550 179.403 176.870 -0.029 0.000 1.075 257 L CA 1.650 56.558 54.840 0.114 0.000 0.752 257 L CB -1.030 41.259 42.059 0.382 0.000 0.891 257 L HN 0.115 nan 8.230 nan 0.000 0.432 258 S N -0.546 115.139 115.700 -0.025 0.000 2.368 258 S HA -0.130 4.340 4.470 -0.001 0.000 0.225 258 S C 1.756 176.104 174.600 -0.421 0.000 1.030 258 S CA 1.232 59.334 58.200 -0.163 0.000 0.999 258 S CB -0.344 62.745 63.200 -0.186 0.000 0.844 258 S HN 0.217 nan 8.310 nan 0.000 0.459 259 F N 2.153 121.845 119.950 -0.431 0.000 2.126 259 F HA -0.114 4.412 4.527 -0.001 0.000 0.299 259 F C 2.784 178.017 175.800 -0.946 0.000 1.096 259 F CA 0.985 58.572 58.000 -0.687 0.000 1.255 259 F CB -1.011 37.580 39.000 -0.682 0.000 0.997 259 F HN 0.103 nan 8.300 nan 0.000 0.479 260 S N -0.466 114.822 115.700 -0.686 0.000 2.368 260 S HA -0.150 4.319 4.470 -0.001 0.000 0.224 260 S C 2.089 176.487 174.600 -0.337 0.000 1.029 260 S CA 1.135 59.008 58.200 -0.544 0.000 0.988 260 S CB -0.214 62.694 63.200 -0.486 0.000 0.838 260 S HN 0.200 nan 8.310 nan 0.000 0.462 261 M N 1.130 120.446 119.600 -0.473 0.000 2.288 261 M HA 0.025 4.504 4.480 -0.001 0.000 0.266 261 M C 2.174 178.261 176.300 -0.355 0.000 1.072 261 M CA 0.964 55.917 55.300 -0.578 0.000 1.132 261 M CB -1.095 30.691 32.600 -1.357 0.000 1.386 261 M HN 0.440 nan 8.290 nan 0.000 0.432 262 E N 0.288 120.296 120.200 -0.320 0.000 2.058 262 E HA -0.247 4.102 4.350 -0.001 0.000 0.194 262 E C 1.994 178.523 176.600 -0.119 0.000 0.997 262 E CA 1.404 57.705 56.400 -0.166 0.000 0.801 262 E CB -0.245 29.395 29.700 -0.101 0.000 0.746 262 E HN 0.393 nan 8.360 nan 0.000 0.450 263 F N 1.263 121.032 119.950 -0.301 0.000 2.095 263 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 263 F C 2.022 177.747 175.800 -0.125 0.000 1.104 263 F CA 1.506 59.390 58.000 -0.193 0.000 1.232 263 F CB -0.162 38.704 39.000 -0.223 0.000 0.987 263 F HN 0.007 nan 8.300 nan 0.000 0.475 264 L N 0.070 121.170 121.223 -0.205 0.000 2.083 264 L HA -0.195 4.145 4.340 -0.001 0.000 0.209 264 L C 2.809 179.402 176.870 -0.461 0.000 1.083 264 L CA 1.035 55.712 54.840 -0.271 0.000 0.752 264 L CB -1.137 40.944 42.059 0.037 0.000 0.899 264 L HN 0.305 nan 8.230 nan 0.000 0.433 265 A N 0.106 122.736 122.820 -0.316 0.000 1.933 265 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 265 A C 2.225 179.617 177.584 -0.320 0.000 1.175 265 A CA 1.487 53.305 52.037 -0.365 0.000 0.628 265 A CB -0.248 18.755 19.000 0.005 0.000 0.814 265 A HN 0.345 nan 8.150 nan 0.000 0.444 266 K N -0.758 119.462 120.400 -0.301 0.000 2.426 266 K HA 0.121 4.440 4.320 -0.001 0.000 0.193 266 K C 0.253 176.663 176.600 -0.317 0.000 1.028 266 K CA 0.495 56.633 56.287 -0.250 0.000 1.047 266 K CB 0.229 32.624 32.500 -0.175 0.000 0.821 266 K HN 0.225 nan 8.250 nan 0.000 0.513 267 S N 1.111 116.531 115.700 -0.466 0.000 2.130 267 S HA 0.253 4.722 4.470 -0.001 0.000 0.165 267 S C -2.249 172.205 174.600 -0.244 0.000 1.677 267 S CA -1.751 56.214 58.200 -0.393 0.000 1.227 267 S CB 0.685 63.442 63.200 -0.738 0.000 1.115 267 S HN -0.102 nan 8.310 nan 0.000 0.452 268 P HA -0.166 nan 4.420 nan 0.000 0.217 268 P C 0.915 178.167 177.300 -0.080 0.000 1.151 268 P CA 1.313 64.327 63.100 -0.145 0.000 0.849 268 P CB 0.196 31.830 31.700 -0.110 0.000 0.787 269 E N -1.637 118.524 120.200 -0.065 0.000 2.077 269 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 269 E C 1.916 178.465 176.600 -0.084 0.000 0.989 269 E CA 1.416 57.767 56.400 -0.083 0.000 0.800 269 E CB -1.228 28.398 29.700 -0.124 0.000 0.746 269 E HN 0.483 nan 8.360 nan 0.000 0.452 270 H N 0.086 119.127 119.070 -0.048 0.000 2.395 270 H HA 0.137 4.692 4.556 -0.001 0.000 0.299 270 H C 1.940 177.397 175.328 0.216 0.000 1.070 270 H CA 1.276 57.372 56.048 0.081 0.000 1.356 270 H CB 0.121 29.928 29.762 0.076 0.000 1.401 270 H HN 0.009 nan 8.280 nan 0.000 0.524 271 R N 0.186 120.786 120.500 0.166 0.000 2.073 271 R HA -0.188 4.152 4.340 -0.001 0.000 0.234 271 R C 2.252 178.616 176.300 0.107 0.000 1.134 271 R CA 1.520 57.688 56.100 0.113 0.000 0.952 271 R CB -0.223 30.047 30.300 -0.050 0.000 0.850 271 R HN 0.263 nan 8.270 nan 0.000 0.433 272 Q N 1.307 121.140 119.800 0.055 0.000 2.096 272 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 272 Q C 1.840 177.883 176.000 0.071 0.000 0.982 272 Q CA 1.975 57.804 55.803 0.043 0.000 0.850 272 Q CB -0.145 28.598 28.738 0.009 0.000 0.901 272 Q HN 0.384 nan 8.270 nan 0.000 0.422 273 E N -0.630 119.631 120.200 0.101 0.000 2.058 273 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 273 E C 1.814 178.510 176.600 0.159 0.000 0.997 273 E CA 1.449 57.931 56.400 0.137 0.000 0.801 273 E CB -0.211 29.604 29.700 0.191 0.000 0.746 273 E HN 0.476 nan 8.360 nan 0.000 0.450 274 L N 0.412 121.751 121.223 0.194 0.000 2.217 274 L HA -0.099 4.240 4.340 -0.001 0.000 0.211 274 L C 2.455 179.376 176.870 0.086 0.000 1.107 274 L CA 0.439 55.351 54.840 0.120 0.000 0.783 274 L CB -0.233 41.886 42.059 0.099 0.000 0.919 274 L HN 0.254 nan 8.230 nan 0.000 0.442 275 I N -0.118 120.504 120.570 0.087 0.000 2.202 275 I HA -0.243 3.926 4.170 -0.001 0.000 0.242 275 I C 2.338 178.485 176.117 0.050 0.000 1.091 275 I CA 1.386 62.724 61.300 0.064 0.000 1.368 275 I CB -0.075 37.960 38.000 0.058 0.000 1.058 275 I HN 0.229 nan 8.210 nan 0.000 0.410 276 E N 0.477 120.707 120.200 0.051 0.000 2.216 276 E HA -0.022 4.327 4.350 -0.001 0.000 0.192 276 E C 0.592 177.218 176.600 0.044 0.000 0.988 276 E CA 0.549 56.974 56.400 0.041 0.000 0.834 276 E CB 0.218 29.941 29.700 0.038 0.000 0.772 276 E HN 0.398 nan 8.360 nan 0.000 0.479 277 R N 1.030 121.564 120.500 0.056 0.000 2.835 277 R HA 0.152 4.491 4.340 -0.001 0.000 0.290 277 R C -2.148 174.181 176.300 0.048 0.000 1.410 277 R CA -1.121 55.011 56.100 0.054 0.000 1.590 277 R CB 0.782 31.122 30.300 0.066 0.000 1.288 277 R HN 0.039 nan 8.270 nan 0.000 0.637 278 P HA -0.204 nan 4.420 nan 0.000 0.225 278 P C 0.968 178.282 177.300 0.024 0.000 1.148 278 P CA 1.111 64.230 63.100 0.031 0.000 0.779 278 P CB 0.331 32.049 31.700 0.031 0.000 0.780 279 E N 1.174 121.391 120.200 0.028 0.000 2.338 279 E HA -0.169 4.181 4.350 -0.001 0.000 0.197 279 E C 1.500 178.114 176.600 0.025 0.000 1.007 279 E CA 0.805 57.221 56.400 0.027 0.000 0.849 279 E CB -0.639 29.079 29.700 0.030 0.000 0.774 279 E HN 0.308 nan 8.360 nan 0.000 0.506 280 R N 0.227 120.740 120.500 0.022 0.000 2.310 280 R HA 0.263 4.602 4.340 -0.001 0.000 0.202 280 R C 2.314 178.580 176.300 -0.057 0.000 0.933 280 R CA 0.126 56.233 56.100 0.011 0.000 1.054 280 R CB -0.122 30.209 30.300 0.052 0.000 0.985 280 R HN 0.205 nan 8.270 nan 0.000 0.489 281 I N 1.637 122.176 120.570 -0.051 0.000 2.163 281 I HA -0.224 3.946 4.170 -0.001 0.000 0.243 281 I C -0.767 175.317 176.117 -0.055 0.000 1.085 281 I CA 1.521 62.772 61.300 -0.080 0.000 1.347 281 I CB -1.122 36.864 38.000 -0.024 0.000 1.044 281 I HN 0.035 nan 8.210 nan 0.000 0.408 282 P HA -0.194 nan 4.420 nan 0.000 0.216 282 P C 1.460 178.777 177.300 0.028 0.000 1.153 282 P CA 1.936 65.053 63.100 0.029 0.000 0.858 282 P CB -0.040 31.686 31.700 0.043 0.000 0.789 283 A N -0.176 122.653 122.820 0.016 0.000 1.930 283 A HA -0.065 4.254 4.320 -0.001 0.000 0.217 283 A C 2.318 179.908 177.584 0.010 0.000 1.175 283 A CA 1.926 53.988 52.037 0.041 0.000 0.627 283 A CB -1.559 17.482 19.000 0.067 0.000 0.815 283 A HN 0.186 nan 8.150 nan 0.000 0.443 284 A N -0.856 121.861 122.820 -0.172 0.000 1.902 284 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 284 A C 2.406 179.913 177.584 -0.128 0.000 1.181 284 A CA 1.728 53.469 52.037 -0.493 0.000 0.623 284 A CB -1.510 16.768 19.000 -1.203 0.000 0.818 284 A HN 0.873 nan 8.150 nan 0.000 0.443 285 C N -0.603 118.675 119.300 -0.036 0.000 2.393 285 C HA -0.172 4.287 4.460 -0.001 0.000 0.276 285 C C 2.601 177.660 174.990 0.114 0.000 1.215 285 C CA 1.993 61.071 59.018 0.099 0.000 1.743 285 C CB -1.128 26.674 27.740 0.104 0.000 2.044 285 C HN 0.697 nan 8.230 nan 0.000 0.464 286 E N 0.540 120.798 120.200 0.096 0.000 2.077 286 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 286 E C 2.050 178.699 176.600 0.082 0.000 0.989 286 E CA 1.939 58.403 56.400 0.106 0.000 0.800 286 E CB -0.389 29.404 29.700 0.155 0.000 0.746 286 E HN 0.786 nan 8.360 nan 0.000 0.452 287 E N -0.071 120.208 120.200 0.131 0.000 2.106 287 E HA -0.120 4.229 4.350 -0.001 0.000 0.192 287 E C 1.916 178.571 176.600 0.091 0.000 0.984 287 E CA 1.067 57.548 56.400 0.136 0.000 0.806 287 E CB -0.290 29.569 29.700 0.264 0.000 0.750 287 E HN 0.341 nan 8.360 nan 0.000 0.458 288 L N -0.051 121.291 121.223 0.198 0.000 2.093 288 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 288 L C 2.476 179.593 176.870 0.412 0.000 1.085 288 L CA 0.808 55.843 54.840 0.325 0.000 0.755 288 L CB -0.375 41.933 42.059 0.415 0.000 0.904 288 L HN 0.219 nan 8.230 nan 0.000 0.435 289 L N -0.568 120.762 121.223 0.179 0.000 2.131 289 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 289 L C 2.854 179.486 176.870 -0.397 0.000 1.092 289 L CA 1.080 55.748 54.840 -0.287 0.000 0.759 289 L CB -0.416 41.257 42.059 -0.643 0.000 0.903 289 L HN 0.262 nan 8.230 nan 0.000 0.435 290 R N 0.181 120.490 120.500 -0.318 0.000 2.057 290 R HA -0.182 4.158 4.340 -0.001 0.000 0.229 290 R C 2.475 178.616 176.300 -0.264 0.000 1.136 290 R CA 1.378 57.319 56.100 -0.264 0.000 0.952 290 R CB -0.061 30.183 30.300 -0.092 0.000 0.848 290 R HN 0.069 nan 8.270 nan 0.000 0.430 291 R N -0.099 120.200 120.500 -0.335 0.000 2.090 291 R HA -0.043 4.297 4.340 -0.001 0.000 0.228 291 R C 0.628 176.415 176.300 -0.857 0.000 1.110 291 R CA 1.521 57.227 56.100 -0.657 0.000 0.973 291 R CB -0.155 29.565 30.300 -0.967 0.000 0.869 291 R HN 0.248 nan 8.270 nan 0.000 0.440 292 F N 0.301 120.143 119.950 -0.180 0.000 2.850 292 F HA 0.405 4.931 4.527 -0.001 0.000 0.306 292 F C 0.427 176.088 175.800 -0.231 0.000 1.162 292 F CA -0.583 57.241 58.000 -0.294 0.000 1.327 292 F CB 0.346 39.167 39.000 -0.297 0.000 0.953 292 F HN -0.129 nan 8.300 nan 0.000 0.507 293 S N 1.715 117.315 115.700 -0.166 0.000 2.558 293 S HA 0.167 4.636 4.470 -0.001 0.000 0.287 293 S C 0.858 175.278 174.600 -0.301 0.000 1.321 293 S CA 0.103 58.159 58.200 -0.241 0.000 1.048 293 S CB 0.487 63.516 63.200 -0.286 0.000 0.844 293 S HN 0.575 nan 8.310 nan 0.000 0.512 294 L N 2.077 123.144 121.223 -0.260 0.000 3.689 294 L HA 0.576 4.916 4.340 -0.001 0.000 0.344 294 L C -0.892 175.836 176.870 -0.237 0.000 1.221 294 L CA -0.511 54.183 54.840 -0.243 0.000 1.171 294 L CB 0.282 42.338 42.059 -0.005 0.000 1.540 294 L HN 0.343 nan 8.230 nan 0.000 0.631 295 V N 1.943 121.705 119.914 -0.252 0.000 2.547 295 V HA 0.844 4.963 4.120 -0.001 0.000 0.299 295 V C 0.238 176.158 176.094 -0.290 0.000 1.040 295 V CA 0.056 62.226 62.300 -0.216 0.000 0.913 295 V CB 1.529 33.272 31.823 -0.132 0.000 0.992 295 V HN 0.330 nan 8.190 nan 0.000 0.449 296 A N 3.463 126.119 122.820 -0.273 0.000 2.651 296 A HA 0.689 5.009 4.320 -0.001 0.000 0.290 296 A C -0.620 176.874 177.584 -0.149 0.000 1.185 296 A CA -0.643 51.259 52.037 -0.226 0.000 0.746 296 A CB 0.508 19.285 19.000 -0.372 0.000 1.213 296 A HN 0.847 nan 8.150 nan 0.000 0.429 297 D N 1.421 121.786 120.400 -0.059 0.000 2.607 297 D HA 0.858 5.497 4.640 -0.001 0.000 0.253 297 D C 0.562 176.897 176.300 0.058 0.000 1.171 297 D CA 0.073 54.041 54.000 -0.053 0.000 1.084 297 D CB 0.882 41.678 40.800 -0.007 0.000 1.203 297 D HN 0.828 nan 8.370 nan 0.000 0.629 298 G N -1.967 106.876 108.800 0.072 0.000 2.578 298 G HA2 0.557 4.517 3.960 -0.001 0.000 0.302 298 G HA3 0.557 4.517 3.960 -0.001 0.000 0.302 298 G C -1.177 173.751 174.900 0.047 0.000 1.243 298 G CA -0.753 44.368 45.100 0.035 0.000 0.843 298 G HN 0.451 nan 8.290 nan 0.000 0.486 299 R N -1.304 119.217 120.500 0.035 0.000 2.795 299 R HA 0.639 4.979 4.340 -0.001 0.000 0.268 299 R C -1.527 174.853 176.300 0.133 0.000 1.041 299 R CA -0.714 55.440 56.100 0.090 0.000 0.927 299 R CB 1.699 32.074 30.300 0.125 0.000 1.235 299 R HN 0.622 nan 8.270 nan 0.000 0.463 300 I N 1.331 121.987 120.570 0.145 0.000 2.545 300 I HA 0.292 4.461 4.170 -0.001 0.000 0.292 300 I C -0.732 175.460 176.117 0.125 0.000 1.040 300 I CA -1.037 60.348 61.300 0.142 0.000 1.068 300 I CB 1.420 39.478 38.000 0.096 0.000 1.251 300 I HN 0.230 nan 8.210 nan 0.000 0.424 301 L N 6.348 127.646 121.223 0.125 0.000 2.410 301 L HA 0.151 4.491 4.340 -0.001 0.000 0.273 301 L C 1.527 178.397 176.870 -0.001 0.000 1.152 301 L CA 0.423 55.272 54.840 0.015 0.000 0.855 301 L CB 1.108 43.203 42.059 0.060 0.000 1.129 301 L HN 0.805 nan 8.230 nan 0.000 0.463 302 T N -1.732 112.782 114.554 -0.065 0.000 3.067 302 T HA 0.070 4.420 4.350 -0.001 0.000 0.257 302 T C 0.711 175.391 174.700 -0.034 0.000 1.105 302 T CA 0.410 62.482 62.100 -0.046 0.000 1.104 302 T CB 0.180 68.998 68.868 -0.084 0.000 0.925 302 T HN 0.615 nan 8.240 nan 0.000 0.498 303 S N -0.036 115.649 115.700 -0.025 0.000 2.588 303 S HA 0.489 4.958 4.470 -0.001 0.000 0.269 303 S C -1.939 172.683 174.600 0.036 0.000 1.157 303 S CA -1.155 57.050 58.200 0.009 0.000 0.824 303 S CB 1.137 64.345 63.200 0.014 0.000 1.126 303 S HN 0.056 nan 8.310 nan 0.000 0.464 304 D N 1.127 121.549 120.400 0.037 0.000 2.525 304 D HA 0.382 5.022 4.640 -0.001 0.000 0.235 304 D C -0.840 175.532 176.300 0.120 0.000 1.137 304 D CA 1.215 55.244 54.000 0.047 0.000 0.868 304 D CB -0.087 40.726 40.800 0.021 0.000 1.180 304 D HN 0.535 nan 8.370 nan 0.000 0.465 305 Y N 0.516 120.755 120.300 -0.103 0.000 2.436 305 Y HA 0.159 4.709 4.550 -0.001 0.000 0.327 305 Y C -1.314 174.519 175.900 -0.111 0.000 1.138 305 Y CA -0.970 57.020 58.100 -0.183 0.000 1.042 305 Y CB 1.200 39.414 38.460 -0.411 0.000 1.302 305 Y HN 0.273 nan 8.280 nan 0.000 0.439 306 E N 6.199 126.088 120.200 -0.519 0.000 2.089 306 E HA 0.318 4.668 4.350 -0.001 0.000 0.284 306 E C -1.638 174.545 176.600 -0.694 0.000 1.023 306 E CA -0.419 55.717 56.400 -0.440 0.000 0.819 306 E CB 1.366 30.922 29.700 -0.241 0.000 1.076 306 E HN 0.372 nan 8.360 nan 0.000 0.396 307 F N 3.419 123.001 119.950 -0.613 0.000 2.499 307 F HA 0.196 4.723 4.527 -0.001 0.000 0.333 307 F C 0.120 175.848 175.800 -0.119 0.000 1.138 307 F CA -0.733 57.019 58.000 -0.413 0.000 0.945 307 F CB 0.400 39.280 39.000 -0.200 0.000 1.181 307 F HN 0.549 nan 8.300 nan 0.000 0.435 308 H N 4.089 122.812 119.070 -0.578 0.000 2.626 308 H HA -0.194 4.361 4.556 -0.001 0.000 0.317 308 H C 1.399 176.567 175.328 -0.268 0.000 1.140 308 H CA 1.090 56.858 56.048 -0.467 0.000 1.134 308 H CB -1.008 28.377 29.762 -0.629 0.000 1.486 308 H HN 1.183 nan 8.280 nan 0.000 0.417 309 G N -0.979 107.720 108.800 -0.168 0.000 2.168 309 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.263 309 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.263 309 G C 0.248 175.107 174.900 -0.068 0.000 0.977 309 G CA 0.366 45.405 45.100 -0.102 0.000 0.659 309 G HN 0.477 nan 8.290 nan 0.000 0.533 310 V N 0.377 120.230 119.914 -0.101 0.000 2.495 310 V HA 0.593 4.713 4.120 -0.001 0.000 0.298 310 V C 0.325 176.337 176.094 -0.138 0.000 1.031 310 V CA -0.802 61.431 62.300 -0.112 0.000 0.871 310 V CB 1.878 33.574 31.823 -0.213 0.000 0.988 310 V HN 0.343 nan 8.190 nan 0.000 0.432 311 Q N 4.628 124.399 119.800 -0.049 0.000 2.369 311 Q HA 0.405 4.745 4.340 -0.001 0.000 0.247 311 Q C -1.021 175.026 176.000 0.078 0.000 1.083 311 Q CA 0.291 56.096 55.803 0.004 0.000 0.905 311 Q CB 0.285 29.066 28.738 0.071 0.000 1.305 311 Q HN 0.672 nan 8.270 nan 0.000 0.465 312 L N 3.727 124.932 121.223 -0.029 0.000 2.312 312 L HA 0.484 4.823 4.340 -0.001 0.000 0.281 312 L C 0.329 177.270 176.870 0.117 0.000 1.070 312 L CA -0.871 54.010 54.840 0.068 0.000 0.805 312 L CB 0.848 42.864 42.059 -0.071 0.000 1.174 312 L HN 0.338 nan 8.230 nan 0.000 0.434 313 K N 2.419 122.917 120.400 0.162 0.000 2.138 313 K HA 0.261 4.580 4.320 -0.001 0.000 0.263 313 K C -0.436 176.196 176.600 0.054 0.000 0.965 313 K CA -0.874 55.377 56.287 -0.060 0.000 0.868 313 K CB 1.745 33.941 32.500 -0.506 0.000 1.083 313 K HN 0.396 nan 8.250 nan 0.000 0.443 314 K N 0.383 120.793 120.400 0.017 0.000 2.504 314 K HA -0.077 4.243 4.320 -0.001 0.000 0.278 314 K C 0.748 177.390 176.600 0.070 0.000 1.025 314 K CA 1.621 57.930 56.287 0.038 0.000 1.093 314 K CB -0.185 32.325 32.500 0.016 0.000 0.873 314 K HN 0.788 nan 8.250 nan 0.000 0.483 315 G N 3.091 111.949 108.800 0.097 0.000 2.217 315 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.246 315 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.246 315 G C -0.362 174.655 174.900 0.194 0.000 0.990 315 G CA 0.171 45.343 45.100 0.120 0.000 0.627 315 G HN 0.740 nan 8.290 nan 0.000 0.522 316 D N 1.741 122.308 120.400 0.278 0.000 2.455 316 D HA 0.383 5.023 4.640 -0.001 0.000 0.241 316 D C 0.960 177.496 176.300 0.394 0.000 1.138 316 D CA 0.527 54.799 54.000 0.453 0.000 0.877 316 D CB 0.503 41.753 40.800 0.750 0.000 1.187 316 D HN 0.554 nan 8.370 nan 0.000 0.451 317 Q N 0.977 120.988 119.800 0.352 0.000 2.235 317 Q HA 0.556 4.896 4.340 -0.001 0.000 0.250 317 Q C -0.235 175.978 176.000 0.355 0.000 0.909 317 Q CA -0.517 55.441 55.803 0.258 0.000 0.910 317 Q CB 2.251 31.060 28.738 0.119 0.000 1.223 317 Q HN 0.470 nan 8.270 nan 0.000 0.432 318 I N 2.531 123.266 120.570 0.274 0.000 2.447 318 I HA 0.233 4.403 4.170 -0.001 0.000 0.287 318 I C -1.547 174.629 176.117 0.097 0.000 1.023 318 I CA -1.138 60.328 61.300 0.277 0.000 1.083 318 I CB 1.155 39.311 38.000 0.260 0.000 1.245 318 I HN 0.491 nan 8.210 nan 0.000 0.434 319 L N 8.326 129.618 121.223 0.115 0.000 2.319 319 L HA 0.392 4.731 4.340 -0.001 0.000 0.280 319 L C -1.003 175.883 176.870 0.026 0.000 1.099 319 L CA 0.318 55.182 54.840 0.041 0.000 0.828 319 L CB 0.754 42.863 42.059 0.085 0.000 1.150 319 L HN 0.553 nan 8.230 nan 0.000 0.442 320 L N 7.724 128.927 121.223 -0.032 0.000 2.502 320 L HA 0.377 4.716 4.340 -0.001 0.000 0.247 320 L C -2.198 174.719 176.870 0.078 0.000 1.180 320 L CA -1.695 53.083 54.840 -0.104 0.000 0.956 320 L CB 0.894 42.621 42.059 -0.555 0.000 1.282 320 L HN 0.486 nan 8.230 nan 0.000 0.470 321 P HA 0.085 nan 4.420 nan 0.000 0.264 321 P C 0.269 177.559 177.300 -0.016 0.000 1.236 321 P CA -0.031 63.072 63.100 0.005 0.000 0.811 321 P CB 0.950 32.677 31.700 0.045 0.000 0.840 322 Q N 2.727 122.520 119.800 -0.013 0.000 2.152 322 Q HA -0.208 4.132 4.340 -0.001 0.000 0.206 322 Q C 1.938 177.865 176.000 -0.121 0.000 0.985 322 Q CA 1.719 57.500 55.803 -0.036 0.000 0.863 322 Q CB -0.568 28.115 28.738 -0.092 0.000 0.904 322 Q HN 0.499 nan 8.270 nan 0.000 0.422 323 M N -0.321 119.142 119.600 -0.229 0.000 2.108 323 M HA -0.243 4.236 4.480 -0.001 0.000 0.257 323 M C 1.416 177.597 176.300 -0.198 0.000 1.071 323 M CA 1.606 56.732 55.300 -0.290 0.000 1.093 323 M CB -0.033 32.262 32.600 -0.508 0.000 1.345 323 M HN 0.300 nan 8.290 nan 0.000 0.403 324 L N -0.908 120.234 121.223 -0.135 0.000 2.313 324 L HA -0.094 4.245 4.340 -0.001 0.000 0.214 324 L C 2.330 179.157 176.870 -0.071 0.000 1.119 324 L CA 0.365 55.157 54.840 -0.080 0.000 0.809 324 L CB -0.335 41.705 42.059 -0.032 0.000 0.933 324 L HN 0.294 nan 8.230 nan 0.000 0.449 325 S N 0.364 116.026 115.700 -0.062 0.000 2.356 325 S HA -0.146 4.324 4.470 -0.001 0.000 0.223 325 S C 1.988 176.560 174.600 -0.047 0.000 1.032 325 S CA 1.479 59.647 58.200 -0.053 0.000 1.005 325 S CB -0.546 62.627 63.200 -0.046 0.000 0.867 325 S HN 0.592 nan 8.310 nan 0.000 0.449 326 G N 0.885 109.661 108.800 -0.040 0.000 2.484 326 G HA2 0.003 3.963 3.960 -0.001 0.000 0.218 326 G HA3 0.003 3.963 3.960 -0.001 0.000 0.218 326 G C 1.126 175.983 174.900 -0.071 0.000 1.130 326 G CA 0.241 45.324 45.100 -0.029 0.000 0.784 326 G HN 0.451 nan 8.290 nan 0.000 0.543 327 L N 0.272 121.440 121.223 -0.091 0.000 2.567 327 L HA 0.176 4.516 4.340 -0.001 0.000 0.225 327 L C 0.504 177.333 176.870 -0.068 0.000 1.119 327 L CA -0.266 54.517 54.840 -0.096 0.000 0.871 327 L CB 0.085 42.080 42.059 -0.107 0.000 1.036 327 L HN 0.021 nan 8.230 nan 0.000 0.459 328 D N 1.608 121.972 120.400 -0.060 0.000 2.358 328 D HA -0.050 4.589 4.640 -0.001 0.000 0.258 328 D C 1.276 177.550 176.300 -0.044 0.000 1.223 328 D CA -0.029 53.938 54.000 -0.055 0.000 0.886 328 D CB 1.087 41.852 40.800 -0.058 0.000 1.120 328 D HN 0.365 nan 8.370 nan 0.000 0.482 329 E N 3.489 123.665 120.200 -0.039 0.000 2.333 329 E HA -0.211 4.138 4.350 -0.001 0.000 0.198 329 E C 1.178 177.761 176.600 -0.028 0.000 1.007 329 E CA 0.641 57.024 56.400 -0.028 0.000 0.845 329 E CB -0.036 29.651 29.700 -0.022 0.000 0.766 329 E HN 0.445 nan 8.360 nan 0.000 0.507 330 R N 0.698 121.178 120.500 -0.034 0.000 2.148 330 R HA -0.052 4.287 4.340 -0.001 0.000 0.227 330 R C 1.880 178.163 176.300 -0.029 0.000 1.103 330 R CA 1.436 57.517 56.100 -0.032 0.000 0.983 330 R CB -0.069 30.207 30.300 -0.039 0.000 0.874 330 R HN 0.374 nan 8.270 nan 0.000 0.451 331 E N -0.229 119.952 120.200 -0.031 0.000 2.201 331 E HA 0.089 4.439 4.350 -0.001 0.000 0.193 331 E C -0.043 176.546 176.600 -0.018 0.000 0.957 331 E CA 0.324 56.709 56.400 -0.026 0.000 0.858 331 E CB 0.446 30.127 29.700 -0.032 0.000 0.816 331 E HN 0.231 nan 8.360 nan 0.000 0.475 332 N N 0.499 119.188 118.700 -0.019 0.000 2.500 332 N HA 0.274 5.013 4.740 -0.001 0.000 0.291 332 N C -1.094 174.409 175.510 -0.012 0.000 1.092 332 N CA -0.174 52.868 53.050 -0.013 0.000 0.890 332 N CB 2.075 40.554 38.487 -0.013 0.000 1.466 332 N HN -0.025 nan 8.380 nan 0.000 0.507 333 A N 0.699 123.513 122.820 -0.009 0.000 2.561 333 A HA 0.127 4.447 4.320 -0.001 0.000 0.234 333 A C 0.832 178.417 177.584 0.000 0.000 1.055 333 A CA 0.093 52.124 52.037 -0.009 0.000 0.756 333 A CB -0.352 18.639 19.000 -0.015 0.000 0.986 333 A HN 0.976 nan 8.150 nan 0.000 0.505 334 C N 2.344 121.653 119.300 0.015 0.000 3.563 334 C HA -0.101 4.358 4.460 -0.001 0.000 0.284 334 C C -0.409 174.639 174.990 0.096 0.000 1.356 334 C CA 0.038 59.105 59.018 0.081 0.000 2.166 334 C CB -2.282 25.474 27.740 0.027 0.000 1.399 334 C HN 0.864 nan 8.230 nan 0.000 0.583 335 P HA -0.150 nan 4.420 nan 0.000 0.222 335 P C 1.376 178.628 177.300 -0.080 0.000 1.147 335 P CA 1.439 64.520 63.100 -0.030 0.000 0.790 335 P CB 0.039 31.710 31.700 -0.049 0.000 0.780 336 M N -1.601 117.956 119.600 -0.071 0.000 2.595 336 M HA 0.043 4.522 4.480 -0.001 0.000 0.248 336 M C 0.946 177.101 176.300 -0.241 0.000 1.119 336 M CA 0.409 55.600 55.300 -0.181 0.000 1.079 336 M CB -1.321 31.174 32.600 -0.176 0.000 1.472 336 M HN 0.056 nan 8.290 nan 0.000 0.501 337 H N 0.393 119.404 119.070 -0.099 0.000 2.610 337 H HA 0.274 4.830 4.556 -0.001 0.000 0.336 337 H C -0.362 174.886 175.328 -0.134 0.000 1.087 337 H CA -0.259 55.745 56.048 -0.073 0.000 1.405 337 H CB 1.690 31.437 29.762 -0.025 0.000 1.460 337 H HN -0.159 nan 8.280 nan 0.000 0.538 338 V N 3.919 123.788 119.914 -0.075 0.000 2.385 338 V HA 0.004 4.124 4.120 -0.001 0.000 0.269 338 V C 0.271 176.358 176.094 -0.012 0.000 1.043 338 V CA -0.176 61.995 62.300 -0.215 0.000 0.906 338 V CB 1.032 32.438 31.823 -0.695 0.000 0.995 338 V HN 0.695 nan 8.190 nan 0.000 0.467 339 D N 4.159 124.554 120.400 -0.008 0.000 2.421 339 D HA 0.351 4.990 4.640 -0.001 0.000 0.254 339 D C 0.405 176.789 176.300 0.139 0.000 1.238 339 D CA -0.546 53.471 54.000 0.029 0.000 0.919 339 D CB 0.970 41.795 40.800 0.042 0.000 1.152 339 D HN 0.212 nan 8.370 nan 0.000 0.552 340 F N 1.254 121.298 119.950 0.157 0.000 2.451 340 F HA -0.016 4.510 4.527 -0.001 0.000 0.299 340 F C 2.199 178.050 175.800 0.085 0.000 1.101 340 F CA 0.448 58.524 58.000 0.126 0.000 1.436 340 F CB -0.478 38.615 39.000 0.154 0.000 1.074 340 F HN 0.284 nan 8.300 nan 0.000 0.553 341 S N -0.842 114.989 115.700 0.219 0.000 2.577 341 S HA 0.060 4.529 4.470 -0.001 0.000 0.219 341 S C 0.880 175.538 174.600 0.097 0.000 0.962 341 S CA -0.501 57.779 58.200 0.134 0.000 0.921 341 S CB -0.313 62.941 63.200 0.091 0.000 0.789 341 S HN 0.179 nan 8.310 nan 0.000 0.497 342 R N 2.090 122.653 120.500 0.105 0.000 2.494 342 R HA -0.023 4.316 4.340 -0.001 0.000 0.291 342 R C 1.203 177.543 176.300 0.066 0.000 0.953 342 R CA 0.452 56.597 56.100 0.074 0.000 1.098 342 R CB 0.224 30.570 30.300 0.077 0.000 0.911 342 R HN 0.360 nan 8.270 nan 0.000 0.407 343 Q N 2.267 122.094 119.800 0.046 0.000 2.083 343 Q HA -0.119 4.220 4.340 -0.001 0.000 0.198 343 Q C 0.137 176.160 176.000 0.039 0.000 0.969 343 Q CA 1.310 57.137 55.803 0.040 0.000 0.838 343 Q CB 0.194 28.948 28.738 0.027 0.000 0.900 343 Q HN 0.241 nan 8.270 nan 0.000 0.436 344 K N 0.703 121.123 120.400 0.034 0.000 2.575 344 K HA 0.224 4.544 4.320 -0.001 0.000 0.236 344 K C -1.571 175.049 176.600 0.034 0.000 0.976 344 K CA -0.227 56.077 56.287 0.030 0.000 0.985 344 K CB 1.380 33.891 32.500 0.018 0.000 1.198 344 K HN -0.220 nan 8.250 nan 0.000 0.464 345 V N 3.177 123.123 119.914 0.052 0.000 2.387 345 V HA 0.209 4.329 4.120 -0.001 0.000 0.260 345 V C 0.034 176.161 176.094 0.055 0.000 1.054 345 V CA -0.374 61.973 62.300 0.078 0.000 0.967 345 V CB 0.709 32.610 31.823 0.129 0.000 1.036 345 V HN 0.738 nan 8.190 nan 0.000 0.481 346 S N 5.386 121.107 115.700 0.035 0.000 2.429 346 S HA 0.698 5.167 4.470 -0.001 0.000 0.302 346 S C -0.584 174.037 174.600 0.036 0.000 1.115 346 S CA -0.513 57.678 58.200 -0.016 0.000 1.095 346 S CB 0.186 63.376 63.200 -0.017 0.000 0.987 346 S HN 1.082 nan 8.310 nan 0.000 0.474 347 H N 0.233 119.288 119.070 -0.025 0.000 2.981 347 H HA 0.566 5.122 4.556 -0.001 0.000 0.327 347 H C -0.516 174.791 175.328 -0.035 0.000 1.342 347 H CA -0.477 55.538 56.048 -0.055 0.000 1.123 347 H CB 0.842 30.553 29.762 -0.085 0.000 1.851 347 H HN 0.302 nan 8.280 nan 0.000 0.531 348 T N -1.897 112.747 114.554 0.150 0.000 3.483 348 T HA 0.196 4.546 4.350 -0.001 0.000 0.258 348 T C 0.273 175.038 174.700 0.108 0.000 1.013 348 T CA 0.002 62.172 62.100 0.117 0.000 1.078 348 T CB -0.422 68.466 68.868 0.033 0.000 1.111 348 T HN 0.629 nan 8.240 nan 0.000 0.538 349 T N 1.053 115.733 114.554 0.210 0.000 2.867 349 T HA 0.103 4.452 4.350 -0.001 0.000 0.268 349 T C 0.417 174.918 174.700 -0.333 0.000 1.057 349 T CA 1.004 62.948 62.100 -0.261 0.000 1.136 349 T CB -0.329 68.114 68.868 -0.708 0.000 0.874 349 T HN 0.498 nan 8.240 nan 0.000 0.466 350 F N 1.335 121.296 119.950 0.019 0.000 2.660 350 F HA 0.471 4.997 4.527 -0.001 0.000 0.297 350 F C 1.590 177.357 175.800 -0.054 0.000 1.132 350 F CA -0.360 57.617 58.000 -0.038 0.000 1.372 350 F CB -0.554 38.425 39.000 -0.034 0.000 1.003 350 F HN 0.265 nan 8.300 nan 0.000 0.524 351 G N 0.107 108.938 108.800 0.051 0.000 2.660 351 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.215 351 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.215 351 G C -1.408 173.495 174.900 0.005 0.000 1.345 351 G CA -0.609 44.437 45.100 -0.090 0.000 0.877 351 G HN 0.539 nan 8.290 nan 0.000 0.549 352 H N -1.002 117.934 119.070 -0.223 0.000 3.085 352 H HA 0.674 5.230 4.556 -0.001 0.000 0.356 352 H C 0.576 175.909 175.328 0.009 0.000 1.178 352 H CA 1.870 57.878 56.048 -0.066 0.000 1.214 352 H CB 1.269 31.041 29.762 0.015 0.000 1.881 352 H HN 2.626 nan 8.280 nan 0.000 0.538 353 G N 1.326 109.880 108.800 -0.409 0.000 2.499 353 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.232 353 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.232 353 G C 1.116 175.989 174.900 -0.045 0.000 1.251 353 G CA 0.573 45.596 45.100 -0.128 0.000 0.917 353 G HN 1.392 nan 8.290 nan 0.000 0.580 354 S N -0.822 114.894 115.700 0.027 0.000 2.481 354 S HA 0.009 4.478 4.470 -0.001 0.000 0.231 354 S C 1.307 175.778 174.600 -0.214 0.000 0.996 354 S CA 1.717 59.852 58.200 -0.109 0.000 0.942 354 S CB -0.256 62.822 63.200 -0.203 0.000 0.768 354 S HN 0.733 nan 8.310 nan 0.000 0.520 355 H N 0.850 119.909 119.070 -0.018 0.000 2.507 355 H HA 0.374 4.929 4.556 -0.001 0.000 0.294 355 H C -0.010 175.297 175.328 -0.035 0.000 1.064 355 H CA -0.382 55.657 56.048 -0.015 0.000 1.138 355 H CB -0.086 29.677 29.762 0.002 0.000 1.515 355 H HN 0.368 nan 8.280 nan 0.000 0.547 356 L N 1.426 122.660 121.223 0.018 0.000 2.653 356 L HA -0.135 4.205 4.340 -0.001 0.000 0.288 356 L C 0.983 177.853 176.870 0.001 0.000 1.243 356 L CA 0.063 54.903 54.840 -0.000 0.000 0.906 356 L CB 0.238 42.278 42.059 -0.033 0.000 1.154 356 L HN 0.373 nan 8.230 nan 0.000 0.498 357 C N 5.282 124.590 119.300 0.014 0.000 2.437 357 C HA -0.034 4.426 4.460 -0.001 0.000 0.399 357 C C 1.780 176.692 174.990 -0.130 0.000 1.478 357 C CA -0.266 58.740 59.018 -0.020 0.000 1.538 357 C CB -0.881 26.879 27.740 0.033 0.000 2.506 357 C HN 0.782 nan 8.230 nan 0.000 0.603 358 L N 5.054 126.234 121.223 -0.072 0.000 2.418 358 L HA 0.168 4.508 4.340 -0.001 0.000 0.218 358 L C 2.399 179.203 176.870 -0.110 0.000 1.125 358 L CA 1.148 55.944 54.840 -0.073 0.000 0.835 358 L CB -0.376 41.684 42.059 0.000 0.000 0.953 358 L HN 0.970 nan 8.230 nan 0.000 0.454 359 G N -0.400 108.325 108.800 -0.125 0.000 2.985 359 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.209 359 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.209 359 G C 1.372 176.111 174.900 -0.268 0.000 1.165 359 G CA -0.034 44.997 45.100 -0.114 0.000 0.776 359 G HN 0.526 nan 8.290 nan 0.000 0.541 360 Q N -0.202 119.240 119.800 -0.596 0.000 2.226 360 Q HA -0.140 4.199 4.340 -0.001 0.000 0.204 360 Q C 1.744 177.314 176.000 -0.717 0.000 0.975 360 Q CA 1.136 56.281 55.803 -1.098 0.000 0.866 360 Q CB -0.466 27.178 28.738 -1.823 0.000 0.915 360 Q HN 0.473 nan 8.270 nan 0.000 0.440 361 H N 0.461 119.380 119.070 -0.251 0.000 2.395 361 H HA -0.028 4.528 4.556 -0.001 0.000 0.299 361 H C 2.144 177.434 175.328 -0.062 0.000 1.070 361 H CA 1.158 57.129 56.048 -0.129 0.000 1.356 361 H CB -0.135 29.572 29.762 -0.091 0.000 1.401 361 H HN 0.237 nan 8.280 nan 0.000 0.524 362 L N 1.310 122.551 121.223 0.030 0.000 2.046 362 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 362 L C 2.526 179.422 176.870 0.043 0.000 1.077 362 L CA 1.781 56.643 54.840 0.037 0.000 0.747 362 L CB -0.869 41.208 42.059 0.031 0.000 0.896 362 L HN 0.178 nan 8.230 nan 0.000 0.432 363 A N -0.439 122.391 122.820 0.015 0.000 1.858 363 A HA -0.211 4.109 4.320 -0.001 0.000 0.216 363 A C 2.434 180.100 177.584 0.138 0.000 1.190 363 A CA 1.775 53.868 52.037 0.095 0.000 0.617 363 A CB -0.573 18.524 19.000 0.162 0.000 0.827 363 A HN 0.479 nan 8.150 nan 0.000 0.443 364 R N -1.261 119.298 120.500 0.099 0.000 2.091 364 R HA -0.154 4.186 4.340 -0.001 0.000 0.238 364 R C 2.463 178.852 176.300 0.148 0.000 1.136 364 R CA 1.625 57.806 56.100 0.134 0.000 0.959 364 R CB -0.289 30.073 30.300 0.104 0.000 0.856 364 R HN 0.416 nan 8.270 nan 0.000 0.437 365 R N 1.529 122.108 120.500 0.131 0.000 2.081 365 R HA -0.134 4.206 4.340 -0.001 0.000 0.235 365 R C 1.733 178.162 176.300 0.215 0.000 1.131 365 R CA 1.778 57.966 56.100 0.147 0.000 0.960 365 R CB -0.243 30.128 30.300 0.117 0.000 0.856 365 R HN 0.301 nan 8.270 nan 0.000 0.436 366 E N -0.468 119.874 120.200 0.237 0.000 2.110 366 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 366 E C 2.003 178.887 176.600 0.473 0.000 0.988 366 E CA 1.593 58.238 56.400 0.408 0.000 0.804 366 E CB -0.171 29.683 29.700 0.256 0.000 0.745 366 E HN 0.369 nan 8.360 nan 0.000 0.458 367 I N 0.725 121.500 120.570 0.342 0.000 2.202 367 I HA -0.249 3.921 4.170 -0.001 0.000 0.242 367 I C 2.330 178.592 176.117 0.241 0.000 1.091 367 I CA 0.999 62.497 61.300 0.329 0.000 1.368 367 I CB -0.157 38.041 38.000 0.331 0.000 1.058 367 I HN 0.073 nan 8.210 nan 0.000 0.410 368 I N -0.048 120.641 120.570 0.198 0.000 2.179 368 I HA -0.245 3.924 4.170 -0.001 0.000 0.242 368 I C 2.534 178.731 176.117 0.134 0.000 1.088 368 I CA 1.118 62.502 61.300 0.140 0.000 1.357 368 I CB -0.320 37.750 38.000 0.116 0.000 1.051 368 I HN 0.014 nan 8.210 nan 0.000 0.409 369 V N 0.589 120.606 119.914 0.172 0.000 2.287 369 V HA -0.314 3.806 4.120 -0.001 0.000 0.248 369 V C 2.518 178.672 176.094 0.101 0.000 1.053 369 V CA 2.543 64.935 62.300 0.154 0.000 1.027 369 V CB -0.984 30.979 31.823 0.232 0.000 0.646 369 V HN 0.481 nan 8.190 nan 0.000 0.447 370 T N 0.515 115.139 114.554 0.116 0.000 2.652 370 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 370 T C 1.873 176.601 174.700 0.047 0.000 1.039 370 T CA 1.825 63.949 62.100 0.041 0.000 1.153 370 T CB -0.352 68.600 68.868 0.141 0.000 0.863 370 T HN 0.307 nan 8.240 nan 0.000 0.428 371 L N 0.628 121.893 121.223 0.069 0.000 2.017 371 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 371 L C 2.879 179.796 176.870 0.078 0.000 1.073 371 L CA 1.261 56.136 54.840 0.059 0.000 0.745 371 L CB -0.553 41.535 42.059 0.049 0.000 0.894 371 L HN 0.130 nan 8.230 nan 0.000 0.432 372 K N 0.275 120.715 120.400 0.066 0.000 2.026 372 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 372 K C 1.941 178.566 176.600 0.042 0.000 1.048 372 K CA 1.556 57.875 56.287 0.053 0.000 0.929 372 K CB 0.014 32.544 32.500 0.049 0.000 0.713 372 K HN 0.267 nan 8.250 nan 0.000 0.439 373 E N -0.558 119.663 120.200 0.035 0.000 2.216 373 E HA -0.145 4.205 4.350 -0.001 0.000 0.192 373 E C 1.750 178.320 176.600 -0.051 0.000 0.988 373 E CA 0.308 56.703 56.400 -0.009 0.000 0.834 373 E CB -0.294 29.398 29.700 -0.012 0.000 0.772 373 E HN 0.451 nan 8.360 nan 0.000 0.479 374 W N 1.513 122.690 121.300 -0.206 0.000 2.378 374 W HA -0.083 4.576 4.660 -0.001 0.000 0.313 374 W C 1.752 178.142 176.519 -0.216 0.000 1.197 374 W CA 0.927 58.092 57.345 -0.300 0.000 1.304 374 W CB -0.355 28.861 29.460 -0.406 0.000 1.148 374 W HN 0.014 nan 8.180 nan 0.000 0.494 375 L N 0.372 121.697 121.223 0.171 0.000 2.275 375 L HA -0.188 4.151 4.340 -0.001 0.000 0.215 375 L C 2.343 179.224 176.870 0.019 0.000 1.119 375 L CA 1.391 56.320 54.840 0.147 0.000 0.790 375 L CB -0.979 41.180 42.059 0.166 0.000 0.919 375 L HN -0.132 nan 8.230 nan 0.000 0.443 376 T N -0.819 113.717 114.554 -0.029 0.000 2.857 376 T HA -0.100 4.249 4.350 -0.001 0.000 0.266 376 T C 2.063 176.701 174.700 -0.103 0.000 1.048 376 T CA 1.205 63.276 62.100 -0.048 0.000 1.139 376 T CB 0.042 68.886 68.868 -0.041 0.000 0.874 376 T HN 0.314 nan 8.240 nan 0.000 0.455 377 R N -0.213 120.166 120.500 -0.201 0.000 2.167 377 R HA 0.353 4.693 4.340 -0.001 0.000 0.201 377 R C 0.406 176.487 176.300 -0.365 0.000 1.024 377 R CA 0.544 56.481 56.100 -0.272 0.000 1.053 377 R CB 0.493 30.585 30.300 -0.348 0.000 0.987 377 R HN 0.282 nan 8.270 nan 0.000 0.493 378 I N 2.439 122.691 120.570 -0.530 0.000 2.833 378 I HA 0.196 4.366 4.170 -0.001 0.000 0.286 378 I C -1.960 174.069 176.117 -0.146 0.000 1.287 378 I CA -1.576 59.364 61.300 -0.599 0.000 1.046 378 I CB 1.905 39.074 38.000 -1.385 0.000 1.612 378 I HN -0.105 nan 8.210 nan 0.000 0.585 379 P HA -0.106 nan 4.420 nan 0.000 0.221 379 P C 0.178 177.588 177.300 0.183 0.000 1.150 379 P CA 1.287 64.458 63.100 0.118 0.000 0.800 379 P CB 0.570 32.297 31.700 0.047 0.000 0.787 380 D N -0.082 120.422 120.400 0.173 0.000 2.462 380 D HA 0.306 4.946 4.640 -0.001 0.000 0.245 380 D C -0.945 175.519 176.300 0.274 0.000 1.122 380 D CA -0.604 53.467 54.000 0.117 0.000 0.864 380 D CB 0.958 41.803 40.800 0.074 0.000 1.098 380 D HN -0.068 nan 8.370 nan 0.000 0.541 381 F N 0.109 120.127 119.950 0.115 0.000 2.662 381 F HA 0.734 5.261 4.527 -0.001 0.000 0.312 381 F C -1.112 174.765 175.800 0.128 0.000 1.113 381 F CA -0.815 57.313 58.000 0.213 0.000 0.951 381 F CB 1.479 40.639 39.000 0.266 0.000 1.344 381 F HN -0.019 nan 8.300 nan 0.000 0.462 382 S N 1.145 117.011 115.700 0.277 0.000 2.618 382 S HA 0.593 5.063 4.470 -0.001 0.000 0.277 382 S C -1.043 173.664 174.600 0.179 0.000 1.138 382 S CA -0.813 57.446 58.200 0.098 0.000 0.844 382 S CB 1.794 65.027 63.200 0.056 0.000 1.127 382 S HN 0.583 nan 8.310 nan 0.000 0.474 383 I N 2.075 122.695 120.570 0.083 0.000 2.692 383 I HA 0.148 4.318 4.170 -0.001 0.000 0.284 383 I C 1.094 177.256 176.117 0.075 0.000 1.159 383 I CA -0.233 61.115 61.300 0.080 0.000 1.423 383 I CB -0.289 37.730 38.000 0.032 0.000 1.380 383 I HN 0.833 nan 8.210 nan 0.000 0.580 384 A N 8.773 131.639 122.820 0.077 0.000 2.567 384 A HA 0.195 4.514 4.320 -0.001 0.000 0.240 384 A C -2.057 175.545 177.584 0.030 0.000 1.053 384 A CA -0.647 51.419 52.037 0.049 0.000 0.755 384 A CB -0.998 18.026 19.000 0.040 0.000 0.978 384 A HN 0.515 nan 8.150 nan 0.000 0.507 385 P HA 0.209 nan 4.420 nan 0.000 0.261 385 P C 1.134 178.440 177.300 0.010 0.000 1.183 385 P CA 1.872 64.980 63.100 0.013 0.000 0.761 385 P CB 0.502 32.207 31.700 0.008 0.000 0.785 386 G N 2.058 110.863 108.800 0.008 0.000 2.205 386 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.261 386 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.261 386 G C 0.474 175.379 174.900 0.008 0.000 0.980 386 G CA 0.034 45.138 45.100 0.006 0.000 0.632 386 G HN 0.864 nan 8.290 nan 0.000 0.533 387 A N -0.136 122.692 122.820 0.013 0.000 2.425 387 A HA 0.644 4.963 4.320 -0.001 0.000 0.249 387 A C 0.399 177.990 177.584 0.011 0.000 1.084 387 A CA 0.490 52.536 52.037 0.016 0.000 0.781 387 A CB 0.299 19.314 19.000 0.025 0.000 1.019 387 A HN 0.535 nan 8.150 nan 0.000 0.490 388 Q N 1.642 121.447 119.800 0.009 0.000 2.368 388 Q HA 0.383 4.723 4.340 -0.001 0.000 0.263 388 Q C -0.831 175.170 176.000 0.002 0.000 1.009 388 Q CA -0.572 55.232 55.803 0.001 0.000 0.818 388 Q CB 1.685 30.422 28.738 -0.002 0.000 1.239 388 Q HN 0.624 nan 8.270 nan 0.000 0.464 389 I N 2.766 123.332 120.570 -0.006 0.000 2.471 389 I HA 0.091 4.260 4.170 -0.001 0.000 0.286 389 I C 0.271 176.366 176.117 -0.037 0.000 1.079 389 I CA 0.153 61.455 61.300 0.004 0.000 1.398 389 I CB 0.567 38.584 38.000 0.028 0.000 1.403 389 I HN 0.562 nan 8.210 nan 0.000 0.530 390 Q N 5.773 125.588 119.800 0.025 0.000 2.316 390 Q HA 0.429 4.768 4.340 -0.001 0.000 0.264 390 Q C -0.737 175.372 176.000 0.183 0.000 0.987 390 Q CA -0.553 55.272 55.803 0.035 0.000 0.852 390 Q CB 2.222 30.989 28.738 0.048 0.000 1.287 390 Q HN 0.593 nan 8.270 nan 0.000 0.448 391 H N 0.951 120.082 119.070 0.101 0.000 2.517 391 H HA 0.472 5.028 4.556 -0.001 0.000 0.346 391 H C -0.402 175.006 175.328 0.134 0.000 1.222 391 H CA -0.957 55.178 56.048 0.145 0.000 1.314 391 H CB 1.378 31.302 29.762 0.270 0.000 1.609 391 H HN 0.438 nan 8.280 nan 0.000 0.571 392 K N 0.165 120.737 120.400 0.286 0.000 2.469 392 K HA 0.544 4.863 4.320 -0.001 0.000 0.254 392 K C -1.250 175.497 176.600 0.245 0.000 0.939 392 K CA -0.923 55.490 56.287 0.211 0.000 0.812 392 K CB 2.572 35.157 32.500 0.141 0.000 1.301 392 K HN 0.378 nan 8.250 nan 0.000 0.433 393 S N 0.378 116.222 115.700 0.240 0.000 2.568 393 S HA 0.917 5.387 4.470 -0.001 0.000 0.302 393 S C -0.424 174.314 174.600 0.230 0.000 1.082 393 S CA 0.256 58.630 58.200 0.290 0.000 1.009 393 S CB 1.511 64.924 63.200 0.356 0.000 1.069 393 S HN 1.030 nan 8.310 nan 0.000 0.500 394 G N 2.345 111.247 108.800 0.169 0.000 2.392 394 G HA2 0.180 4.140 3.960 -0.001 0.000 0.260 394 G HA3 0.180 4.140 3.960 -0.001 0.000 0.260 394 G C 0.256 175.096 174.900 -0.100 0.000 1.226 394 G CA -0.239 44.849 45.100 -0.019 0.000 0.913 394 G HN 0.554 nan 8.290 nan 0.000 0.483 395 I N 0.133 120.622 120.570 -0.133 0.000 2.208 395 I HA -0.015 4.155 4.170 -0.001 0.000 0.245 395 I C 0.959 176.987 176.117 -0.149 0.000 1.097 395 I CA 1.582 62.733 61.300 -0.248 0.000 1.363 395 I CB -0.935 36.777 38.000 -0.480 0.000 1.051 395 I HN 0.044 nan 8.210 nan 0.000 0.413 396 V N 0.892 120.781 119.914 -0.042 0.000 2.487 396 V HA 0.298 4.417 4.120 -0.001 0.000 0.298 396 V C 0.164 176.290 176.094 0.053 0.000 1.028 396 V CA -0.554 61.743 62.300 -0.006 0.000 0.860 396 V CB 1.825 33.671 31.823 0.038 0.000 0.991 396 V HN 0.102 nan 8.190 nan 0.000 0.427 397 S N 2.314 118.054 115.700 0.067 0.000 2.652 397 S HA 0.882 5.352 4.470 -0.001 0.000 0.270 397 S C 0.428 175.209 174.600 0.302 0.000 1.243 397 S CA 0.094 58.402 58.200 0.181 0.000 0.999 397 S CB 1.732 65.010 63.200 0.129 0.000 0.973 397 S HN 1.158 nan 8.310 nan 0.000 0.544 398 G N -0.422 108.527 108.800 0.249 0.000 2.749 398 G HA2 0.582 4.542 3.960 -0.001 0.000 0.300 398 G HA3 0.582 4.542 3.960 -0.001 0.000 0.300 398 G C -1.900 172.808 174.900 -0.320 0.000 1.352 398 G CA -0.474 44.563 45.100 -0.105 0.000 0.789 398 G HN 0.618 nan 8.290 nan 0.000 0.509 399 V N 0.873 120.518 119.914 -0.448 0.000 2.487 399 V HA 0.275 4.395 4.120 -0.001 0.000 0.298 399 V C 0.942 176.985 176.094 -0.084 0.000 1.028 399 V CA -0.405 61.724 62.300 -0.285 0.000 0.860 399 V CB 1.371 32.922 31.823 -0.453 0.000 0.991 399 V HN 0.885 nan 8.190 nan 0.000 0.427 400 Q N 2.998 122.810 119.800 0.021 0.000 2.084 400 Q HA 0.125 4.464 4.340 -0.001 0.000 0.202 400 Q C 0.649 176.662 176.000 0.021 0.000 0.978 400 Q CA 1.582 57.402 55.803 0.029 0.000 0.844 400 Q CB 0.259 29.028 28.738 0.052 0.000 0.898 400 Q HN 0.889 nan 8.270 nan 0.000 0.426 401 A N 0.010 122.848 122.820 0.029 0.000 2.594 401 A HA 0.545 4.864 4.320 -0.001 0.000 0.296 401 A C -1.996 175.619 177.584 0.052 0.000 1.061 401 A CA -0.642 51.419 52.037 0.040 0.000 0.689 401 A CB 1.472 20.497 19.000 0.042 0.000 1.280 401 A HN 0.092 nan 8.150 nan 0.000 0.406 402 L N 2.691 123.962 121.223 0.079 0.000 2.489 402 L HA 0.500 4.840 4.340 -0.001 0.000 0.257 402 L C -2.682 174.265 176.870 0.129 0.000 1.215 402 L CA -1.378 53.515 54.840 0.090 0.000 0.915 402 L CB 1.840 43.949 42.059 0.083 0.000 1.146 402 L HN 0.446 nan 8.230 nan 0.000 0.494 403 P HA 0.249 nan 4.420 nan 0.000 0.282 403 P C -0.944 176.442 177.300 0.144 0.000 1.274 403 P CA 0.041 63.210 63.100 0.116 0.000 0.770 403 P CB 0.999 32.743 31.700 0.073 0.000 0.867 404 L N 4.099 125.455 121.223 0.221 0.000 2.334 404 L HA 0.689 5.029 4.340 -0.001 0.000 0.273 404 L C 0.537 177.586 176.870 0.297 0.000 1.013 404 L CA -1.192 53.848 54.840 0.334 0.000 0.816 404 L CB 2.171 44.521 42.059 0.485 0.000 1.278 404 L HN 0.219 nan 8.230 nan 0.000 0.431 405 V N -1.015 119.100 119.914 0.334 0.000 3.040 405 V HA 0.808 4.927 4.120 -0.001 0.000 0.312 405 V C -1.503 174.850 176.094 0.432 0.000 1.115 405 V CA -0.600 61.774 62.300 0.124 0.000 0.998 405 V CB 1.808 33.644 31.823 0.022 0.000 1.042 405 V HN 0.980 nan 8.190 nan 0.000 0.433 406 W N 0.566 121.940 121.300 0.123 0.000 2.989 406 W HA 0.732 5.392 4.660 -0.001 0.000 0.344 406 W C -1.688 174.870 176.519 0.064 0.000 1.233 406 W CA -0.671 56.743 57.345 0.116 0.000 1.187 406 W CB 0.905 30.461 29.460 0.160 0.000 1.443 406 W HN 0.669 nan 8.180 nan 0.000 0.573 407 D N 1.807 122.374 120.400 0.278 0.000 2.347 407 D HA 0.359 4.998 4.640 -0.001 0.000 0.235 407 D C -1.455 174.994 176.300 0.249 0.000 1.149 407 D CA -2.463 51.628 54.000 0.152 0.000 0.850 407 D CB 1.800 42.669 40.800 0.115 0.000 1.061 407 D HN 0.040 nan 8.370 nan 0.000 0.487 408 P HA -0.139 nan 4.420 nan 0.000 0.218 408 P C 0.903 178.284 177.300 0.134 0.000 1.146 408 P CA 1.205 64.431 63.100 0.209 0.000 0.813 408 P CB 0.183 31.940 31.700 0.095 0.000 0.778 409 A N -0.584 122.292 122.820 0.093 0.000 2.125 409 A HA -0.137 4.183 4.320 -0.001 0.000 0.219 409 A C 2.000 179.622 177.584 0.064 0.000 1.156 409 A CA 2.014 54.088 52.037 0.063 0.000 0.671 409 A CB -1.623 17.405 19.000 0.045 0.000 0.794 409 A HN 0.357 nan 8.150 nan 0.000 0.459 410 T N -2.518 112.091 114.554 0.091 0.000 3.107 410 T HA 0.163 4.513 4.350 -0.001 0.000 0.249 410 T C 0.825 175.552 174.700 0.044 0.000 1.096 410 T CA 0.663 62.806 62.100 0.071 0.000 1.012 410 T CB -0.822 68.100 68.868 0.090 0.000 0.977 410 T HN 0.512 nan 8.240 nan 0.000 0.527 411 T N -0.184 114.397 114.554 0.045 0.000 2.912 411 T HA 0.657 5.006 4.350 -0.001 0.000 0.280 411 T C -0.796 173.887 174.700 -0.029 0.000 0.989 411 T CA -0.909 61.178 62.100 -0.020 0.000 0.995 411 T CB 1.510 70.366 68.868 -0.020 0.000 1.077 411 T HN 0.233 nan 8.240 nan 0.000 0.531 412 K N 0.387 120.747 120.400 -0.067 0.000 2.507 412 K HA 0.653 4.973 4.320 -0.001 0.000 0.251 412 K C -0.936 175.624 176.600 -0.067 0.000 0.943 412 K CA -0.768 55.488 56.287 -0.052 0.000 0.794 412 K CB 2.266 34.737 32.500 -0.049 0.000 1.188 412 K HN 0.840 nan 8.250 nan 0.000 0.428 413 A N 2.882 125.676 122.820 -0.044 0.000 2.309 413 A HA 0.557 4.876 4.320 -0.001 0.000 0.290 413 A C -0.176 177.386 177.584 -0.038 0.000 1.206 413 A CA -0.342 51.668 52.037 -0.044 0.000 0.850 413 A CB 0.185 19.169 19.000 -0.026 0.000 1.118 413 A HN 0.427 nan 8.150 nan 0.000 0.523 414 V N 0.000 119.887 119.914 -0.045 0.000 2.409 414 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 414 V CA 0.000 62.281 62.300 -0.031 0.000 1.235 414 V CB 0.000 31.803 31.823 -0.033 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556