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 1gg9_1_D DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VNARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.284 176.300 -0.027 0.000 2.045 27 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 27 D CB 0.000 40.785 40.800 -0.024 0.000 0.688 28 S N -0.023 115.656 115.700 -0.036 0.000 4.483 28 S HA -0.013 4.471 4.470 0.023 0.000 0.144 28 S C 0.376 174.939 174.600 -0.062 0.000 0.823 28 S CA -0.064 58.107 58.200 -0.048 0.000 0.928 28 S CB -1.400 61.777 63.200 -0.038 0.000 0.409 28 S HN 0.216 nan 8.310 nan 0.000 0.786 29 L N 0.672 121.849 121.223 -0.076 0.000 2.477 29 L HA 0.449 4.803 4.340 0.023 0.000 0.220 29 L C 1.451 178.241 176.870 -0.133 0.000 1.106 29 L CA 0.571 55.361 54.840 -0.083 0.000 0.851 29 L CB -0.266 41.756 42.059 -0.062 0.000 0.994 29 L HN 0.618 nan 8.230 nan 0.000 0.462 30 A N 1.744 124.430 122.820 -0.224 0.000 2.466 30 A HA 0.352 4.685 4.320 0.023 0.000 0.238 30 A C -1.970 175.464 177.584 -0.251 0.000 1.074 30 A CA -0.815 50.965 52.037 -0.427 0.000 0.774 30 A CB -0.612 17.845 19.000 -0.904 0.000 1.015 30 A HN 0.006 nan 8.150 nan 0.000 0.498 31 P HA 0.133 nan 4.420 nan 0.000 0.271 31 P C 0.117 177.399 177.300 -0.030 0.000 1.216 31 P CA -0.067 62.997 63.100 -0.060 0.000 0.776 31 P CB 0.917 32.618 31.700 0.003 0.000 0.881 32 E N 1.817 122.010 120.200 -0.012 0.000 2.333 32 E HA -0.200 4.164 4.350 0.023 0.000 0.198 32 E C 0.944 177.564 176.600 0.033 0.000 1.007 32 E CA 1.413 57.817 56.400 0.006 0.000 0.845 32 E CB -0.437 29.263 29.700 -0.001 0.000 0.766 32 E HN 0.452 nan 8.360 nan 0.000 0.507 33 D N -1.215 119.212 120.400 0.044 0.000 2.349 33 D HA 0.051 4.704 4.640 0.023 0.000 0.224 33 D C 1.275 177.623 176.300 0.080 0.000 1.029 33 D CA 0.717 54.747 54.000 0.051 0.000 0.879 33 D CB -0.413 40.410 40.800 0.039 0.000 0.906 33 D HN 0.210 nan 8.370 nan 0.000 0.528 34 G N 0.541 109.431 108.800 0.150 0.000 2.198 34 G HA2 -0.343 3.630 3.960 0.023 0.000 0.260 34 G HA3 -0.343 3.630 3.960 0.023 0.000 0.260 34 G C 0.977 175.954 174.900 0.129 0.000 1.025 34 G CA 0.841 46.073 45.100 0.220 0.000 0.769 34 G HN 0.649 nan 8.290 nan 0.000 0.507 35 S N 0.089 115.881 115.700 0.154 0.000 2.607 35 S HA -0.025 4.459 4.470 0.023 0.000 0.224 35 S C 1.914 176.564 174.600 0.082 0.000 0.969 35 S CA 1.098 59.344 58.200 0.077 0.000 0.927 35 S CB -0.438 62.800 63.200 0.063 0.000 0.772 35 S HN 0.945 nan 8.310 nan 0.000 0.533 36 H N 1.051 120.128 119.070 0.011 0.000 2.502 36 H HA 0.246 4.816 4.556 0.022 0.000 0.283 36 H C 0.833 176.172 175.328 0.019 0.000 1.015 36 H CA 0.421 56.476 56.048 0.012 0.000 1.298 36 H CB -0.282 29.486 29.762 0.010 0.000 1.411 36 H HN 0.320 nan 8.280 nan 0.000 0.556 37 R N 2.982 123.138 120.500 -0.574 0.000 2.294 37 R HA 0.334 4.687 4.340 0.023 0.000 0.319 37 R C -2.584 173.617 176.300 -0.165 0.000 0.984 37 R CA -2.316 53.546 56.100 -0.398 0.000 0.861 37 R CB 0.851 30.815 30.300 -0.561 0.000 1.104 37 R HN 0.122 nan 8.270 nan 0.000 0.451 38 P HA 0.181 nan 4.420 nan 0.000 0.275 38 P C -0.904 176.385 177.300 -0.018 0.000 1.227 38 P CA -0.457 62.628 63.100 -0.024 0.000 0.781 38 P CB 1.206 32.916 31.700 0.016 0.000 0.906 39 A N 2.939 125.754 122.820 -0.007 0.000 2.531 39 A HA 0.347 4.681 4.320 0.023 0.000 0.236 39 A C 1.022 178.614 177.584 0.013 0.000 1.062 39 A CA 0.132 52.169 52.037 -0.001 0.000 0.760 39 A CB -0.428 18.575 19.000 0.004 0.000 0.995 39 A HN 0.596 nan 8.150 nan 0.000 0.501 40 A N 2.320 125.148 122.820 0.013 0.000 3.118 40 A HA 0.510 4.843 4.320 0.023 0.000 0.256 40 A C 0.254 177.854 177.584 0.026 0.000 1.667 40 A CA 0.407 52.458 52.037 0.023 0.000 1.338 40 A CB -0.846 18.165 19.000 0.019 0.000 1.127 40 A HN 1.011 nan 8.150 nan 0.000 0.634 41 E N 0.069 120.287 120.200 0.030 0.000 2.390 41 E HA 0.563 4.926 4.350 0.023 0.000 0.280 41 E C -3.310 173.309 176.600 0.033 0.000 0.992 41 E CA -1.841 54.578 56.400 0.031 0.000 0.790 41 E CB 1.411 31.125 29.700 0.023 0.000 1.248 41 E HN 0.019 nan 8.360 nan 0.000 0.447 42 P HA 0.129 nan 4.420 nan 0.000 0.264 42 P C -0.981 176.326 177.300 0.012 0.000 1.193 42 P CA 0.175 63.288 63.100 0.021 0.000 0.763 42 P CB 0.493 32.194 31.700 0.002 0.000 0.810 43 T N 0.994 115.551 114.554 0.006 0.000 2.933 43 T HA 0.595 4.959 4.350 0.023 0.000 0.305 43 T C -3.017 171.656 174.700 -0.045 0.000 1.092 43 T CA -2.642 59.456 62.100 -0.004 0.000 1.008 43 T CB 1.672 70.543 68.868 0.005 0.000 1.102 43 T HN 0.050 nan 8.240 nan 0.000 0.469 44 P HA 0.320 nan 4.420 nan 0.000 0.272 44 P C -2.743 174.420 177.300 -0.228 0.000 1.230 44 P CA -1.493 61.455 63.100 -0.253 0.000 0.788 44 P CB -0.999 30.618 31.700 -0.137 0.000 0.949 45 P HA 0.041 nan 4.420 nan 0.000 0.261 45 P C 1.092 178.346 177.300 -0.077 0.000 1.183 45 P CA 1.500 64.501 63.100 -0.164 0.000 0.761 45 P CB -0.317 31.279 31.700 -0.174 0.000 0.785 46 G N 2.986 111.771 108.800 -0.025 0.000 2.225 46 G HA2 -0.349 3.625 3.960 0.023 0.000 0.254 46 G HA3 -0.349 3.625 3.960 0.023 0.000 0.254 46 G C 1.171 176.070 174.900 -0.001 0.000 0.988 46 G CA 0.413 45.511 45.100 -0.003 0.000 0.625 46 G HN 0.661 nan 8.290 nan 0.000 0.527 47 A N -0.900 121.914 122.820 -0.010 0.000 1.929 47 A HA 0.381 4.715 4.320 0.023 0.000 0.216 47 A C 1.357 178.945 177.584 0.006 0.000 1.176 47 A CA 2.084 54.120 52.037 -0.001 0.000 0.628 47 A CB -0.043 18.954 19.000 -0.006 0.000 0.816 47 A HN 0.567 nan 8.150 nan 0.000 0.444 48 Q N -1.079 118.728 119.800 0.012 0.000 2.456 48 Q HA 0.445 4.799 4.340 0.023 0.000 0.283 48 Q C -2.990 173.026 176.000 0.026 0.000 1.084 48 Q CA -2.242 53.572 55.803 0.017 0.000 0.801 48 Q CB 0.637 29.388 28.738 0.022 0.000 1.434 48 Q HN 0.044 nan 8.270 nan 0.000 0.419 49 P HA 0.016 nan 4.420 nan 0.000 0.266 49 P C -0.210 177.122 177.300 0.054 0.000 1.195 49 P CA 0.172 63.287 63.100 0.026 0.000 0.768 49 P CB 0.248 31.959 31.700 0.020 0.000 0.838 50 T N -0.337 114.250 114.554 0.053 0.000 2.828 50 T HA 0.630 4.994 4.350 0.023 0.000 0.290 50 T C -0.014 174.775 174.700 0.149 0.000 1.019 50 T CA -0.509 61.674 62.100 0.137 0.000 1.031 50 T CB 0.796 69.688 68.868 0.040 0.000 1.001 50 T HN 0.566 nan 8.240 nan 0.000 0.531 51 A N 1.552 124.560 122.820 0.314 0.000 2.609 51 A HA 0.773 5.107 4.320 0.023 0.000 0.291 51 A C -3.071 174.777 177.584 0.440 0.000 1.096 51 A CA -2.009 50.187 52.037 0.265 0.000 0.684 51 A CB 0.503 19.602 19.000 0.166 0.000 1.282 51 A HN 0.652 nan 8.150 nan 0.000 0.412 52 P HA 0.093 nan 4.420 nan 0.000 0.263 52 P C 1.253 178.706 177.300 0.254 0.000 1.175 52 P CA 1.069 64.382 63.100 0.354 0.000 0.761 52 P CB 0.503 32.333 31.700 0.215 0.000 0.794 53 G N 2.538 111.450 108.800 0.187 0.000 2.476 53 G HA2 -0.318 3.656 3.960 0.023 0.000 0.218 53 G HA3 -0.318 3.656 3.960 0.023 0.000 0.218 53 G C 1.603 176.519 174.900 0.026 0.000 1.164 53 G CA 1.202 46.319 45.100 0.029 0.000 0.768 53 G HN 0.593 nan 8.290 nan 0.000 0.560 54 S N 0.147 115.865 115.700 0.030 0.000 2.447 54 S HA 0.086 4.569 4.470 0.023 0.000 0.233 54 S C 2.256 176.873 174.600 0.028 0.000 1.006 54 S CA 1.076 59.281 58.200 0.008 0.000 0.957 54 S CB -0.212 62.988 63.200 -0.001 0.000 0.773 54 S HN 0.329 nan 8.310 nan 0.000 0.507 55 L N -0.123 121.134 121.223 0.056 0.000 2.202 55 L HA 0.240 4.594 4.340 0.023 0.000 0.205 55 L C 2.712 179.613 176.870 0.052 0.000 1.083 55 L CA 0.861 55.733 54.840 0.054 0.000 0.790 55 L CB -0.346 41.753 42.059 0.067 0.000 0.942 55 L HN 0.242 nan 8.230 nan 0.000 0.452 56 K N 1.422 121.863 120.400 0.069 0.000 2.062 56 K HA 0.022 4.356 4.320 0.023 0.000 0.205 56 K C 0.743 177.371 176.600 0.046 0.000 1.051 56 K CA 1.328 57.655 56.287 0.067 0.000 0.941 56 K CB 0.082 32.639 32.500 0.095 0.000 0.719 56 K HN 0.151 nan 8.250 nan 0.000 0.440 57 A N 0.830 123.670 122.820 0.033 0.000 3.317 57 A HA 0.349 4.683 4.320 0.023 0.000 0.307 57 A C -2.170 175.418 177.584 0.007 0.000 1.003 57 A CA -1.031 51.022 52.037 0.027 0.000 0.882 57 A CB 0.610 19.630 19.000 0.033 0.000 1.136 57 A HN 0.160 nan 8.150 nan 0.000 0.488 58 P HA -0.126 nan 4.420 nan 0.000 0.222 58 P C 0.101 177.395 177.300 -0.011 0.000 1.147 58 P CA 1.190 64.288 63.100 -0.003 0.000 0.790 58 P CB 0.351 32.054 31.700 0.004 0.000 0.780 59 D N -0.942 119.456 120.400 -0.003 0.000 2.349 59 D HA 0.005 4.659 4.640 0.023 0.000 0.215 59 D C 0.332 176.623 176.300 -0.016 0.000 1.016 59 D CA 0.662 54.657 54.000 -0.007 0.000 0.870 59 D CB -0.530 40.274 40.800 0.006 0.000 0.917 59 D HN 0.104 nan 8.370 nan 0.000 0.524 60 T N 2.927 117.469 114.554 -0.020 0.000 2.738 60 T HA 0.276 4.639 4.350 0.023 0.000 0.294 60 T C 0.450 175.108 174.700 -0.069 0.000 0.914 60 T CA -0.391 61.685 62.100 -0.041 0.000 1.052 60 T CB 0.830 69.673 68.868 -0.043 0.000 0.897 60 T HN -0.158 nan 8.240 nan 0.000 0.522 61 R N 2.966 123.420 120.500 -0.077 0.000 2.912 61 R HA 0.705 5.059 4.340 0.023 0.000 0.262 61 R C -0.274 175.970 176.300 -0.093 0.000 1.057 61 R CA -1.062 54.985 56.100 -0.088 0.000 0.981 61 R CB 1.502 31.758 30.300 -0.075 0.000 1.201 61 R HN 0.794 nan 8.270 nan 0.000 0.484 62 N N -2.569 116.078 118.700 -0.088 0.000 3.116 62 N HA 0.021 4.775 4.740 0.023 0.000 0.244 62 N C 0.152 175.620 175.510 -0.069 0.000 1.485 62 N CA -0.711 52.299 53.050 -0.066 0.000 0.884 62 N CB 0.689 39.167 38.487 -0.015 0.000 1.415 62 N HN 0.545 nan 8.380 nan 0.000 0.524 63 E N -0.144 120.029 120.200 -0.045 0.000 2.085 63 E HA -0.265 4.098 4.350 0.023 0.000 0.194 63 E C 1.051 177.585 176.600 -0.110 0.000 0.994 63 E CA 1.501 57.868 56.400 -0.055 0.000 0.801 63 E CB 0.076 29.767 29.700 -0.015 0.000 0.743 63 E HN 0.501 nan 8.360 nan 0.000 0.453 64 K N 0.705 121.006 120.400 -0.164 0.000 2.057 64 K HA -0.076 4.258 4.320 0.023 0.000 0.206 64 K C 2.120 178.568 176.600 -0.253 0.000 1.050 64 K CA 1.092 57.193 56.287 -0.310 0.000 0.935 64 K CB -0.384 31.774 32.500 -0.570 0.000 0.715 64 K HN 0.176 nan 8.250 nan 0.000 0.439 65 L N 0.850 121.941 121.223 -0.221 0.000 2.083 65 L HA -0.209 4.145 4.340 0.023 0.000 0.209 65 L C 1.831 178.593 176.870 -0.180 0.000 1.083 65 L CA 1.260 55.944 54.840 -0.261 0.000 0.752 65 L CB -0.575 41.325 42.059 -0.266 0.000 0.899 65 L HN 0.275 nan 8.230 nan 0.000 0.433 66 N N -0.379 118.239 118.700 -0.136 0.000 2.188 66 N HA -0.152 4.602 4.740 0.023 0.000 0.184 66 N C 2.051 177.503 175.510 -0.096 0.000 1.018 66 N CA 1.630 54.620 53.050 -0.100 0.000 0.858 66 N CB -0.365 38.076 38.487 -0.077 0.000 0.989 66 N HN 0.351 nan 8.380 nan 0.000 0.426 67 S N 0.191 115.823 115.700 -0.113 0.000 2.481 67 S HA 0.056 4.540 4.470 0.023 0.000 0.231 67 S C 1.744 176.281 174.600 -0.105 0.000 0.996 67 S CA 0.311 58.450 58.200 -0.102 0.000 0.942 67 S CB -0.376 62.757 63.200 -0.112 0.000 0.768 67 S HN 0.235 nan 8.310 nan 0.000 0.520 68 L N 0.721 121.868 121.223 -0.126 0.000 2.554 68 L HA 0.206 4.560 4.340 0.023 0.000 0.226 68 L C 2.608 179.429 176.870 -0.082 0.000 1.137 68 L CA 0.488 55.261 54.840 -0.112 0.000 0.863 68 L CB -0.353 41.622 42.059 -0.139 0.000 0.985 68 L HN 0.275 nan 8.230 nan 0.000 0.451 69 E N 1.175 121.330 120.200 -0.075 0.000 2.160 69 E HA -0.265 4.098 4.350 0.023 0.000 0.195 69 E C 1.717 178.293 176.600 -0.041 0.000 0.991 69 E CA 1.608 57.976 56.400 -0.053 0.000 0.810 69 E CB -0.079 29.593 29.700 -0.047 0.000 0.742 69 E HN 0.569 nan 8.360 nan 0.000 0.466 70 D N -0.436 119.938 120.400 -0.043 0.000 2.265 70 D HA -0.147 4.507 4.640 0.023 0.000 0.208 70 D C 1.631 177.910 176.300 -0.035 0.000 0.977 70 D CA 1.654 55.632 54.000 -0.036 0.000 0.871 70 D CB -0.315 40.464 40.800 -0.036 0.000 0.925 70 D HN 0.309 nan 8.370 nan 0.000 0.485 71 V N -3.411 116.480 119.914 -0.038 0.000 3.643 71 V HA 0.320 4.453 4.120 0.023 0.000 0.280 71 V C 0.864 176.943 176.094 -0.024 0.000 1.351 71 V CA -0.671 61.610 62.300 -0.032 0.000 1.073 71 V CB -0.473 31.330 31.823 -0.034 0.000 0.863 71 V HN -0.151 nan 8.190 nan 0.000 0.436 72 R N 2.060 122.546 120.500 -0.024 0.000 2.489 72 R HA 0.406 4.760 4.340 0.023 0.000 0.287 72 R C -0.182 176.111 176.300 -0.010 0.000 1.053 72 R CA 0.102 56.196 56.100 -0.011 0.000 1.036 72 R CB 0.693 30.987 30.300 -0.009 0.000 0.966 72 R HN 0.357 nan 8.270 nan 0.000 0.432 73 K N 1.255 121.653 120.400 -0.004 0.000 2.292 73 K HA 0.324 4.657 4.320 0.023 0.000 0.257 73 K C -0.042 176.566 176.600 0.013 0.000 0.940 73 K CA -0.423 55.851 56.287 -0.022 0.000 0.811 73 K CB 1.878 34.354 32.500 -0.039 0.000 1.120 73 K HN 0.742 nan 8.250 nan 0.000 0.428 74 G N 0.364 109.184 108.800 0.033 0.000 2.531 74 G HA2 0.253 4.226 3.960 0.023 0.000 0.253 74 G HA3 0.253 4.226 3.960 0.023 0.000 0.253 74 G C 0.384 175.373 174.900 0.148 0.000 1.439 74 G CA 0.274 45.447 45.100 0.122 0.000 1.056 74 G HN 0.700 nan 8.290 nan 0.000 0.555 75 S N -2.709 113.152 115.700 0.269 0.000 2.323 75 S HA 0.101 4.585 4.470 0.023 0.000 0.233 75 S C 0.210 174.972 174.600 0.270 0.000 0.898 75 S CA -0.120 58.242 58.200 0.270 0.000 1.321 75 S CB -0.050 63.229 63.200 0.133 0.000 0.921 75 S HN 0.513 nan 8.310 nan 0.000 0.398 76 E N 3.160 123.448 120.200 0.146 0.000 2.452 76 E HA 0.242 4.605 4.350 0.023 0.000 0.261 76 E C -0.233 176.294 176.600 -0.121 0.000 0.987 76 E CA 0.332 56.752 56.400 0.032 0.000 0.926 76 E CB 0.024 29.734 29.700 0.016 0.000 0.934 76 E HN 0.414 nan 8.360 nan 0.000 0.452 77 N N 0.537 119.165 118.700 -0.120 0.000 2.828 77 N HA -0.217 4.537 4.740 0.023 0.000 0.248 77 N C -1.110 174.223 175.510 -0.294 0.000 1.044 77 N CA 1.178 54.103 53.050 -0.208 0.000 0.851 77 N CB -1.447 36.882 38.487 -0.264 0.000 1.136 77 N HN 0.381 nan 8.380 nan 0.000 0.572 78 Y N 0.586 120.890 120.300 0.007 0.000 2.387 78 Y HA 0.640 5.204 4.550 0.024 0.000 0.330 78 Y C 0.914 176.816 175.900 0.003 0.000 1.133 78 Y CA -0.627 57.476 58.100 0.005 0.000 1.152 78 Y CB 1.092 39.555 38.460 0.005 0.000 1.215 78 Y HN 0.132 nan 8.280 nan 0.000 0.466 79 A N 2.595 125.529 122.820 0.189 0.000 2.371 79 A HA 0.407 4.741 4.320 0.023 0.000 0.257 79 A C -0.736 176.897 177.584 0.081 0.000 1.089 79 A CA -0.510 51.587 52.037 0.100 0.000 0.794 79 A CB 0.087 19.134 19.000 0.077 0.000 1.029 79 A HN 0.717 nan 8.150 nan 0.000 0.488 80 L N 2.921 124.172 121.223 0.047 0.000 2.360 80 L HA 0.516 4.870 4.340 0.023 0.000 0.276 80 L C 0.660 177.538 176.870 0.013 0.000 1.121 80 L CA 1.141 55.995 54.840 0.024 0.000 0.845 80 L CB 0.437 42.501 42.059 0.008 0.000 1.143 80 L HN 0.929 nan 8.230 nan 0.000 0.452 81 T N 0.372 114.928 114.554 0.003 0.000 2.838 81 T HA 0.691 5.054 4.350 0.023 0.000 0.292 81 T C 0.208 174.906 174.700 -0.003 0.000 1.113 81 T CA -0.159 61.944 62.100 0.005 0.000 1.008 81 T CB 1.053 69.927 68.868 0.010 0.000 1.259 81 T HN 0.769 nan 8.240 nan 0.000 0.520 82 T N 0.070 114.634 114.554 0.018 0.000 2.729 82 T HA 0.283 4.647 4.350 0.023 0.000 0.298 82 T C 1.028 175.739 174.700 0.019 0.000 1.013 82 T CA -0.572 61.544 62.100 0.027 0.000 0.957 82 T CB -0.046 68.877 68.868 0.092 0.000 1.130 82 T HN 0.554 nan 8.240 nan 0.000 0.526 83 N N 0.366 119.081 118.700 0.024 0.000 2.459 83 N HA -0.053 4.701 4.740 0.023 0.000 0.181 83 N C 1.599 177.125 175.510 0.025 0.000 1.046 83 N CA 0.545 53.603 53.050 0.012 0.000 0.904 83 N CB -0.173 38.331 38.487 0.027 0.000 0.964 83 N HN 0.534 nan 8.380 nan 0.000 0.444 84 Q N -0.551 119.277 119.800 0.047 0.000 2.403 84 Q HA 0.194 4.547 4.340 0.023 0.000 0.203 84 Q C 0.858 176.879 176.000 0.035 0.000 0.932 84 Q CA 0.245 56.073 55.803 0.043 0.000 0.945 84 Q CB 0.424 29.195 28.738 0.056 0.000 1.045 84 Q HN 0.401 nan 8.270 nan 0.000 0.511 85 G N 0.329 109.148 108.800 0.031 0.000 2.157 85 G HA2 -0.237 3.737 3.960 0.023 0.000 0.239 85 G HA3 -0.237 3.737 3.960 0.023 0.000 0.239 85 G C 0.123 175.047 174.900 0.040 0.000 0.982 85 G CA 0.117 45.230 45.100 0.022 0.000 0.650 85 G HN 0.222 nan 8.290 nan 0.000 0.527 86 V N 2.067 122.022 119.914 0.068 0.000 2.455 86 V HA 0.331 4.465 4.120 0.023 0.000 0.273 86 V C 1.333 177.466 176.094 0.064 0.000 1.045 86 V CA -0.437 61.916 62.300 0.088 0.000 0.976 86 V CB 0.930 32.855 31.823 0.170 0.000 0.993 86 V HN 0.408 nan 8.190 nan 0.000 0.475 87 R N 4.594 125.125 120.500 0.052 0.000 2.537 87 R HA 0.348 4.702 4.340 0.023 0.000 0.280 87 R C -0.507 175.807 176.300 0.023 0.000 1.058 87 R CA -0.055 56.066 56.100 0.035 0.000 1.057 87 R CB 0.489 30.809 30.300 0.034 0.000 0.973 87 R HN 0.575 nan 8.270 nan 0.000 0.438 88 I N 2.004 122.575 120.570 0.001 0.000 2.353 88 I HA 0.133 4.317 4.170 0.023 0.000 0.293 88 I C 0.944 177.049 176.117 -0.019 0.000 0.992 88 I CA -0.011 61.273 61.300 -0.026 0.000 1.268 88 I CB 1.873 39.846 38.000 -0.046 0.000 1.387 88 I HN 0.774 nan 8.210 nan 0.000 0.478 89 A N 4.025 126.831 122.820 -0.023 0.000 1.911 89 A HA 0.025 4.358 4.320 0.023 0.000 0.212 89 A C 0.652 178.221 177.584 -0.025 0.000 1.189 89 A CA 0.885 52.912 52.037 -0.017 0.000 0.639 89 A CB 0.071 19.064 19.000 -0.011 0.000 0.839 89 A HN 0.680 nan 8.150 nan 0.000 0.449 90 D N -0.567 119.810 120.400 -0.038 0.000 2.421 90 D HA 0.331 4.984 4.640 0.023 0.000 0.254 90 D C -1.303 174.965 176.300 -0.054 0.000 1.238 90 D CA -0.358 53.618 54.000 -0.041 0.000 0.919 90 D CB 1.164 41.941 40.800 -0.038 0.000 1.152 90 D HN 0.053 nan 8.370 nan 0.000 0.552 91 D N 1.954 122.325 120.400 -0.048 0.000 2.395 91 D HA 0.050 4.703 4.640 0.023 0.000 0.226 91 D C 0.719 176.987 176.300 -0.053 0.000 1.146 91 D CA 0.296 54.263 54.000 -0.055 0.000 0.830 91 D CB 0.527 41.299 40.800 -0.047 0.000 0.958 91 D HN 0.239 nan 8.370 nan 0.000 0.501 92 Q N -0.681 119.089 119.800 -0.049 0.000 2.350 92 Q HA 0.255 4.609 4.340 0.023 0.000 0.225 92 Q C -0.076 175.895 176.000 -0.048 0.000 0.878 92 Q CA 0.275 56.050 55.803 -0.046 0.000 0.935 92 Q CB 0.733 29.449 28.738 -0.037 0.000 1.099 92 Q HN 0.199 nan 8.270 nan 0.000 0.527 93 N N 0.086 118.756 118.700 -0.050 0.000 2.242 93 N HA 0.324 5.078 4.740 0.023 0.000 0.292 93 N C -0.976 174.502 175.510 -0.055 0.000 1.125 93 N CA -0.258 52.763 53.050 -0.047 0.000 0.783 93 N CB 2.134 40.598 38.487 -0.038 0.000 1.558 93 N HN -0.176 nan 8.380 nan 0.000 0.472 94 S N 0.734 116.405 115.700 -0.048 0.000 2.617 94 S HA 0.295 4.778 4.470 0.023 0.000 0.269 94 S C 0.107 174.684 174.600 -0.040 0.000 1.292 94 S CA -0.580 57.591 58.200 -0.048 0.000 1.010 94 S CB 0.766 63.944 63.200 -0.037 0.000 0.944 94 S HN 0.386 nan 8.310 nan 0.000 0.536 95 L N 3.587 124.786 121.223 -0.039 0.000 2.319 95 L HA 0.416 4.770 4.340 0.023 0.000 0.280 95 L C 0.095 176.959 176.870 -0.011 0.000 1.099 95 L CA 0.413 55.239 54.840 -0.024 0.000 0.828 95 L CB -0.094 41.955 42.059 -0.018 0.000 1.150 95 L HN 0.726 nan 8.230 nan 0.000 0.442 96 R N 4.158 124.653 120.500 -0.008 0.000 2.836 96 R HA 0.870 5.223 4.340 0.023 0.000 0.269 96 R C -1.139 175.161 176.300 0.000 0.000 1.010 96 R CA -0.863 55.235 56.100 -0.003 0.000 0.930 96 R CB 1.114 31.410 30.300 -0.007 0.000 1.218 96 R HN 0.587 nan 8.270 nan 0.000 0.473 97 A N 1.184 124.005 122.820 0.002 0.000 2.666 97 A HA 0.595 4.928 4.320 0.023 0.000 0.312 97 A C 0.534 178.119 177.584 0.001 0.000 1.471 97 A CA 0.271 52.310 52.037 0.004 0.000 1.134 97 A CB -0.844 18.160 19.000 0.006 0.000 1.129 97 A HN 1.215 nan 8.150 nan 0.000 0.539 98 G N 1.138 109.938 108.800 0.000 0.000 2.692 98 G HA2 0.064 4.038 3.960 0.023 0.000 0.686 98 G HA3 0.064 4.038 3.960 0.023 0.000 0.686 98 G C 0.656 175.554 174.900 -0.004 0.000 1.243 98 G CA 0.125 45.224 45.100 -0.001 0.000 0.782 98 G HN 1.816 nan 8.290 nan 0.000 0.625 99 S N -0.089 115.608 115.700 -0.005 0.000 2.474 99 S HA -0.002 4.481 4.470 0.023 0.000 0.235 99 S C 1.556 176.151 174.600 -0.008 0.000 0.997 99 S CA 1.423 59.618 58.200 -0.008 0.000 0.949 99 S CB 0.067 63.262 63.200 -0.008 0.000 0.766 99 S HN 0.742 nan 8.310 nan 0.000 0.517 100 R N 0.799 121.295 120.500 -0.006 0.000 2.577 100 R HA 0.332 4.686 4.340 0.023 0.000 0.344 100 R C 0.863 177.160 176.300 -0.005 0.000 1.037 100 R CA 0.060 56.156 56.100 -0.006 0.000 1.102 100 R CB 0.821 31.118 30.300 -0.005 0.000 1.313 100 R HN 0.445 nan 8.270 nan 0.000 0.561 101 G N 1.730 110.527 108.800 -0.004 0.000 2.557 101 G HA2 0.374 4.348 3.960 0.023 0.000 0.302 101 G HA3 0.374 4.348 3.960 0.023 0.000 0.302 101 G C -2.426 172.473 174.900 -0.003 0.000 1.311 101 G CA -1.103 43.996 45.100 -0.002 0.000 1.030 101 G HN -0.110 nan 8.290 nan 0.000 0.509 102 P HA 0.217 nan 4.420 nan 0.000 0.275 102 P C -0.123 177.178 177.300 0.001 0.000 1.228 102 P CA -0.091 63.009 63.100 0.001 0.000 0.786 102 P CB 0.833 32.535 31.700 0.003 0.000 0.927 103 T N 2.948 117.502 114.554 0.000 0.000 2.901 103 T HA 0.227 4.590 4.350 0.023 0.000 0.301 103 T C 0.510 175.214 174.700 0.007 0.000 1.012 103 T CA -0.047 62.053 62.100 -0.000 0.000 1.135 103 T CB -0.044 68.822 68.868 -0.004 0.000 0.936 103 T HN 0.189 nan 8.240 nan 0.000 0.539 104 L N 3.613 124.842 121.223 0.010 0.000 2.334 104 L HA 0.310 4.664 4.340 0.023 0.000 0.277 104 L C 1.406 178.293 176.870 0.029 0.000 1.075 104 L CA -0.777 54.075 54.840 0.020 0.000 0.804 104 L CB 0.924 42.997 42.059 0.023 0.000 1.174 104 L HN 0.517 nan 8.230 nan 0.000 0.438 105 L N 2.340 123.583 121.223 0.034 0.000 2.265 105 L HA -0.184 4.170 4.340 0.023 0.000 0.215 105 L C 2.291 179.200 176.870 0.066 0.000 1.117 105 L CA 1.604 56.470 54.840 0.044 0.000 0.782 105 L CB -0.568 41.514 42.059 0.038 0.000 0.914 105 L HN 0.787 nan 8.230 nan 0.000 0.441 106 E N -1.587 118.656 120.200 0.073 0.000 2.516 106 E HA -0.167 4.196 4.350 0.023 0.000 0.199 106 E C 0.180 176.882 176.600 0.169 0.000 1.069 106 E CA 0.203 56.673 56.400 0.116 0.000 0.876 106 E CB -0.500 29.262 29.700 0.102 0.000 0.843 106 E HN 0.369 nan 8.360 nan 0.000 0.530 107 D N 1.255 121.710 120.400 0.092 0.000 2.455 107 D HA -0.044 4.609 4.640 0.023 0.000 0.234 107 D C 0.481 176.801 176.300 0.033 0.000 1.224 107 D CA -0.475 53.538 54.000 0.022 0.000 0.999 107 D CB -0.177 40.606 40.800 -0.029 0.000 1.072 107 D HN 0.299 nan 8.370 nan 0.000 0.514 108 F N 2.019 121.977 119.950 0.013 0.000 2.407 108 F HA 0.077 4.613 4.527 0.016 0.000 0.299 108 F C 1.553 177.364 175.800 0.019 0.000 1.097 108 F CA 0.189 58.200 58.000 0.017 0.000 1.422 108 F CB -0.569 38.440 39.000 0.015 0.000 1.067 108 F HN 0.187 nan 8.300 nan 0.000 0.539 109 I N 0.264 120.434 120.570 -0.668 0.000 2.277 109 I HA -0.169 4.014 4.170 0.023 0.000 0.243 109 I C 2.459 178.463 176.117 -0.188 0.000 1.094 109 I CA 0.860 61.878 61.300 -0.469 0.000 1.393 109 I CB -0.520 37.144 38.000 -0.561 0.000 1.078 109 I HN 0.263 nan 8.210 nan 0.000 0.417 110 L N 1.212 122.341 121.223 -0.157 0.000 1.989 110 L HA -0.219 4.135 4.340 0.023 0.000 0.211 110 L C 2.634 179.494 176.870 -0.018 0.000 1.071 110 L CA 1.921 56.716 54.840 -0.075 0.000 0.749 110 L CB -0.620 41.403 42.059 -0.060 0.000 0.890 110 L HN 0.065 nan 8.230 nan 0.000 0.431 111 R N -0.623 119.883 120.500 0.011 0.000 2.096 111 R HA -0.191 4.162 4.340 0.023 0.000 0.235 111 R C 2.320 178.672 176.300 0.087 0.000 1.127 111 R CA 1.617 57.753 56.100 0.061 0.000 0.968 111 R CB -0.397 29.953 30.300 0.083 0.000 0.861 111 R HN 0.616 nan 8.270 nan 0.000 0.440 112 E N 1.142 121.393 120.200 0.086 0.000 2.047 112 E HA -0.229 4.134 4.350 0.023 0.000 0.191 112 E C 1.952 178.623 176.600 0.119 0.000 0.987 112 E CA 1.196 57.662 56.400 0.111 0.000 0.799 112 E CB 0.099 29.866 29.700 0.112 0.000 0.752 112 E HN 0.145 nan 8.360 nan 0.000 0.449 113 K N 0.276 120.716 120.400 0.067 0.000 2.057 113 K HA -0.143 4.190 4.320 0.023 0.000 0.207 113 K C 2.113 178.785 176.600 0.121 0.000 1.049 113 K CA 1.346 57.672 56.287 0.066 0.000 0.931 113 K CB -0.018 32.478 32.500 -0.006 0.000 0.714 113 K HN 0.160 nan 8.250 nan 0.000 0.440 114 I N 1.191 121.819 120.570 0.096 0.000 2.353 114 I HA -0.175 4.009 4.170 0.023 0.000 0.248 114 I C 2.125 178.383 176.117 0.235 0.000 1.119 114 I CA 1.287 62.671 61.300 0.140 0.000 1.417 114 I CB -1.392 36.654 38.000 0.076 0.000 1.078 114 I HN 0.226 nan 8.210 nan 0.000 0.421 115 T N -0.260 114.418 114.554 0.206 0.000 2.708 115 T HA -0.223 4.141 4.350 0.023 0.000 0.266 115 T C 1.966 176.850 174.700 0.306 0.000 1.037 115 T CA 1.424 63.679 62.100 0.258 0.000 1.146 115 T CB -0.419 68.566 68.868 0.195 0.000 0.865 115 T HN 0.339 nan 8.240 nan 0.000 0.435 116 H N -0.122 119.057 119.070 0.181 0.000 2.357 116 H HA -0.053 4.516 4.556 0.023 0.000 0.301 116 H C 2.186 177.604 175.328 0.150 0.000 1.082 116 H CA 1.427 57.562 56.048 0.146 0.000 1.342 116 H CB -0.402 29.416 29.762 0.093 0.000 1.389 116 H HN 0.386 nan 8.280 nan 0.000 0.511 117 F N 2.084 122.129 119.950 0.159 0.000 2.069 117 F HA -0.215 4.323 4.527 0.018 0.000 0.298 117 F C 2.090 177.879 175.800 -0.017 0.000 1.113 117 F CA 1.866 59.904 58.000 0.064 0.000 1.214 117 F CB -0.417 38.604 39.000 0.035 0.000 0.978 117 F HN 0.062 nan 8.300 nan 0.000 0.474 118 D N -0.934 119.473 120.400 0.011 0.000 2.190 118 D HA -0.190 4.464 4.640 0.023 0.000 0.200 118 D C 1.490 177.500 176.300 -0.484 0.000 0.992 118 D CA 1.463 55.310 54.000 -0.255 0.000 0.854 118 D CB -0.505 40.186 40.800 -0.181 0.000 0.936 118 D HN 0.508 nan 8.370 nan 0.000 0.462 119 H N 0.043 119.008 119.070 -0.175 0.000 2.524 119 H HA 0.197 4.763 4.556 0.017 0.000 0.299 119 H C 1.068 176.244 175.328 -0.254 0.000 1.074 119 H CA -0.034 55.901 56.048 -0.188 0.000 1.115 119 H CB 0.460 30.120 29.762 -0.170 0.000 1.522 119 H HN 0.314 nan 8.280 nan 0.000 0.543 120 E N 0.723 120.775 120.200 -0.247 0.000 2.106 120 E HA -0.055 4.309 4.350 0.023 0.000 0.192 120 E C 0.590 177.037 176.600 -0.254 0.000 0.984 120 E CA 0.531 56.758 56.400 -0.289 0.000 0.806 120 E CB 0.417 29.926 29.700 -0.319 0.000 0.750 120 E HN 0.215 nan 8.360 nan 0.000 0.458 121 R N 1.161 121.566 120.500 -0.159 0.000 2.531 121 R HA 0.355 4.708 4.340 0.023 0.000 0.273 121 R C 0.512 176.850 176.300 0.062 0.000 1.070 121 R CA -0.160 55.920 56.100 -0.032 0.000 1.112 121 R CB 0.552 30.823 30.300 -0.048 0.000 1.049 121 R HN 0.163 nan 8.270 nan 0.000 0.508 122 I N -1.484 119.184 120.570 0.165 0.000 2.892 122 I HA 0.558 4.741 4.170 0.023 0.000 0.306 122 I C -2.331 173.847 176.117 0.103 0.000 1.078 122 I CA -3.010 58.380 61.300 0.149 0.000 1.032 122 I CB 1.956 40.077 38.000 0.203 0.000 1.229 122 I HN 0.240 nan 8.210 nan 0.000 0.435 123 P HA 0.080 nan 4.420 nan 0.000 0.265 123 P C -0.822 176.503 177.300 0.042 0.000 1.193 123 P CA 0.051 63.176 63.100 0.041 0.000 0.765 123 P CB 0.368 32.082 31.700 0.023 0.000 0.823 124 E N 2.681 122.905 120.200 0.040 0.000 2.369 124 E HA 0.216 4.579 4.350 0.023 0.000 0.255 124 E C -0.421 176.192 176.600 0.021 0.000 1.172 124 E CA -0.889 55.538 56.400 0.044 0.000 0.932 124 E CB 0.604 30.336 29.700 0.052 0.000 1.040 124 E HN 0.249 nan 8.360 nan 0.000 0.454 125 R N 0.566 121.079 120.500 0.020 0.000 2.640 125 R HA 0.001 4.354 4.340 0.023 0.000 0.270 125 R C 1.085 177.388 176.300 0.004 0.000 1.024 125 R CA -0.008 56.092 56.100 0.000 0.000 1.085 125 R CB 0.194 30.502 30.300 0.013 0.000 0.963 125 R HN 0.640 nan 8.270 nan 0.000 0.426 126 I N 2.945 123.508 120.570 -0.012 0.000 2.286 126 I HA -0.170 4.014 4.170 0.023 0.000 0.248 126 I C 0.354 176.487 176.117 0.028 0.000 1.115 126 I CA 1.266 62.569 61.300 0.005 0.000 1.392 126 I CB 0.425 38.424 38.000 -0.001 0.000 1.065 126 I HN 0.396 nan 8.210 nan 0.000 0.418 127 V N -1.959 117.982 119.914 0.045 0.000 3.001 127 V HA 0.545 4.678 4.120 0.023 0.000 0.314 127 V C 0.004 176.143 176.094 0.076 0.000 1.099 127 V CA -0.706 61.644 62.300 0.083 0.000 0.989 127 V CB 1.326 33.253 31.823 0.172 0.000 1.040 127 V HN 0.418 nan 8.190 nan 0.000 0.434 128 N N 0.044 118.800 118.700 0.093 0.000 2.747 128 N HA -0.177 4.577 4.740 0.023 0.000 0.249 128 N C 0.931 176.485 175.510 0.074 0.000 1.107 128 N CA 1.077 54.179 53.050 0.086 0.000 0.707 128 N CB -1.308 37.220 38.487 0.067 0.000 1.054 128 N HN 1.261 nan 8.380 nan 0.000 0.555 129 A N -0.478 122.386 122.820 0.074 0.000 1.972 129 A HA -0.044 4.290 4.320 0.023 0.000 0.219 129 A C 1.430 179.082 177.584 0.112 0.000 1.169 129 A CA 1.280 53.364 52.037 0.079 0.000 0.635 129 A CB -0.016 19.022 19.000 0.063 0.000 0.810 129 A HN 0.316 nan 8.150 nan 0.000 0.446 130 R N 0.306 120.878 120.500 0.120 0.000 2.196 130 R HA 0.504 4.857 4.340 0.023 0.000 0.340 130 R C -0.169 176.239 176.300 0.180 0.000 1.043 130 R CA 0.682 56.876 56.100 0.157 0.000 0.883 130 R CB 0.150 30.537 30.300 0.144 0.000 1.078 130 R HN 0.323 nan 8.270 nan 0.000 0.462 131 G N 0.971 109.906 108.800 0.225 0.000 2.720 131 G HA2 0.508 4.482 3.960 0.023 0.000 0.295 131 G HA3 0.508 4.482 3.960 0.023 0.000 0.295 131 G C -1.581 173.470 174.900 0.252 0.000 1.437 131 G CA -0.583 44.618 45.100 0.168 0.000 0.886 131 G HN 0.486 nan 8.290 nan 0.000 0.509 132 S N -0.905 114.894 115.700 0.165 0.000 2.521 132 S HA 0.894 5.377 4.470 0.023 0.000 0.295 132 S C -0.081 174.529 174.600 0.017 0.000 1.098 132 S CA -0.225 58.128 58.200 0.256 0.000 0.999 132 S CB 1.777 65.240 63.200 0.439 0.000 1.034 132 S HN 1.494 nan 8.310 nan 0.000 0.483 133 A N 1.508 124.302 122.820 -0.044 0.000 2.479 133 A HA 1.039 5.373 4.320 0.023 0.000 0.296 133 A C -0.947 176.446 177.584 -0.318 0.000 1.121 133 A CA -0.748 51.057 52.037 -0.386 0.000 0.743 133 A CB 1.600 20.209 19.000 -0.651 0.000 1.323 133 A HN 1.377 nan 8.150 nan 0.000 0.415 134 A N 0.263 122.715 122.820 -0.613 0.000 2.612 134 A HA 0.699 5.032 4.320 0.023 0.000 0.293 134 A C -1.163 176.199 177.584 -0.370 0.000 1.075 134 A CA -0.659 51.185 52.037 -0.322 0.000 0.680 134 A CB 0.696 19.608 19.000 -0.146 0.000 1.279 134 A HN 0.878 nan 8.150 nan 0.000 0.411 135 H N -0.274 118.802 119.070 0.011 0.000 2.505 135 H HA 0.669 5.238 4.556 0.022 0.000 0.351 135 H C 0.617 175.939 175.328 -0.010 0.000 1.151 135 H CA 0.893 57.009 56.048 0.114 0.000 1.339 135 H CB 1.833 31.670 29.762 0.124 0.000 1.483 135 H HN 1.124 nan 8.280 nan 0.000 0.558 136 G N 0.708 109.600 108.800 0.153 0.000 2.578 136 G HA2 0.379 4.352 3.960 0.023 0.000 0.302 136 G HA3 0.379 4.352 3.960 0.023 0.000 0.302 136 G C -2.030 172.997 174.900 0.211 0.000 1.243 136 G CA -0.673 44.474 45.100 0.078 0.000 0.843 136 G HN 0.622 nan 8.290 nan 0.000 0.486 137 Y N -1.711 118.627 120.300 0.063 0.000 2.571 137 Y HA 0.833 5.396 4.550 0.022 0.000 0.341 137 Y C -1.792 174.247 175.900 0.232 0.000 1.076 137 Y CA -1.987 56.196 58.100 0.138 0.000 1.029 137 Y CB 1.874 40.386 38.460 0.086 0.000 1.308 137 Y HN 0.776 nan 8.280 nan 0.000 0.461 138 F N 2.501 122.606 119.950 0.258 0.000 2.577 138 F HA 0.713 5.253 4.527 0.023 0.000 0.318 138 F C -1.236 174.760 175.800 0.327 0.000 1.065 138 F CA -0.612 57.544 58.000 0.261 0.000 0.929 138 F CB 2.364 41.649 39.000 0.475 0.000 1.237 138 F HN 0.810 nan 8.300 nan 0.000 0.468 139 Q N 6.842 126.102 119.800 -0.899 0.000 2.295 139 Q HA 0.459 4.812 4.340 0.023 0.000 0.268 139 Q C -3.058 172.328 176.000 -1.024 0.000 1.010 139 Q CA -2.233 53.187 55.803 -0.638 0.000 0.856 139 Q CB 3.046 31.700 28.738 -0.139 0.000 1.349 139 Q HN 0.365 nan 8.270 nan 0.000 0.412 140 P HA 0.051 nan 4.420 nan 0.000 0.277 140 P C -0.406 176.725 177.300 -0.282 0.000 1.240 140 P CA 0.061 62.892 63.100 -0.448 0.000 0.798 140 P CB 0.614 32.229 31.700 -0.141 0.000 0.979 141 Y N 1.066 121.304 120.300 -0.104 0.000 2.263 141 Y HA -0.094 4.469 4.550 0.023 0.000 0.292 141 Y C 1.491 177.363 175.900 -0.046 0.000 1.130 141 Y CA 0.693 58.755 58.100 -0.063 0.000 1.179 141 Y CB 0.106 38.538 38.460 -0.047 0.000 0.998 141 Y HN 0.377 nan 8.280 nan 0.000 0.532 142 K N -1.131 119.323 120.400 0.089 0.000 2.533 142 K HA 0.430 4.763 4.320 0.023 0.000 0.272 142 K C -0.865 175.735 176.600 0.001 0.000 0.985 142 K CA -0.960 55.352 56.287 0.043 0.000 0.876 142 K CB 1.592 34.120 32.500 0.047 0.000 1.452 142 K HN -0.245 nan 8.250 nan 0.000 0.439 143 S N 0.819 116.518 115.700 -0.002 0.000 2.549 143 S HA 0.138 4.622 4.470 0.023 0.000 0.286 143 S C 0.365 174.952 174.600 -0.022 0.000 1.314 143 S CA -0.580 57.610 58.200 -0.017 0.000 1.062 143 S CB -0.163 63.031 63.200 -0.009 0.000 0.865 143 S HN 0.562 nan 8.310 nan 0.000 0.498 144 L N 4.644 125.842 121.223 -0.041 0.000 2.872 144 L HA 0.187 4.541 4.340 0.023 0.000 0.245 144 L C 1.812 178.665 176.870 -0.029 0.000 1.211 144 L CA -0.210 54.614 54.840 -0.027 0.000 1.013 144 L CB -0.135 41.913 42.059 -0.020 0.000 1.326 144 L HN 0.611 nan 8.230 nan 0.000 0.525 145 S N 0.307 115.988 115.700 -0.032 0.000 2.420 145 S HA -0.190 4.294 4.470 0.023 0.000 0.237 145 S C 1.349 175.932 174.600 -0.029 0.000 1.023 145 S CA 1.487 59.668 58.200 -0.032 0.000 0.991 145 S CB -0.091 63.095 63.200 -0.023 0.000 0.792 145 S HN 0.505 nan 8.310 nan 0.000 0.488 146 D N 1.381 121.769 120.400 -0.020 0.000 2.144 146 D HA -0.061 4.592 4.640 0.023 0.000 0.199 146 D C 1.737 178.021 176.300 -0.028 0.000 0.984 146 D CA 1.063 55.052 54.000 -0.019 0.000 0.834 146 D CB -0.171 40.623 40.800 -0.010 0.000 0.955 146 D HN 0.647 nan 8.370 nan 0.000 0.465 147 I N -4.011 116.544 120.570 -0.025 0.000 4.181 147 I HA 0.232 4.416 4.170 0.023 0.000 0.331 147 I C 0.348 176.426 176.117 -0.066 0.000 1.312 147 I CA 0.036 61.312 61.300 -0.040 0.000 1.146 147 I CB 1.055 39.050 38.000 -0.009 0.000 1.074 147 I HN -0.228 nan 8.210 nan 0.000 0.402 148 T N 1.498 116.015 114.554 -0.061 0.000 2.982 148 T HA 0.319 4.683 4.350 0.023 0.000 0.321 148 T C -0.128 174.521 174.700 -0.085 0.000 1.229 148 T CA -0.687 61.359 62.100 -0.090 0.000 1.044 148 T CB 1.811 70.617 68.868 -0.102 0.000 1.184 148 T HN 0.433 nan 8.240 nan 0.000 0.477 149 K N 2.332 122.680 120.400 -0.085 0.000 2.387 149 K HA 0.600 4.933 4.320 0.023 0.000 0.198 149 K C 0.740 177.304 176.600 -0.060 0.000 1.022 149 K CA -0.339 55.909 56.287 -0.064 0.000 1.128 149 K CB 0.304 32.772 32.500 -0.053 0.000 0.853 149 K HN 0.513 nan 8.250 nan 0.000 0.523 150 A N 2.201 124.964 122.820 -0.095 0.000 2.537 150 A HA -0.076 4.257 4.320 0.023 0.000 0.260 150 A C 0.601 178.147 177.584 -0.064 0.000 1.082 150 A CA 0.167 52.156 52.037 -0.079 0.000 0.765 150 A CB -0.061 18.832 19.000 -0.178 0.000 1.019 150 A HN 0.454 nan 8.150 nan 0.000 0.507 151 D N 2.333 122.768 120.400 0.057 0.000 2.123 151 D HA -0.252 4.402 4.640 0.023 0.000 0.196 151 D C 1.385 177.757 176.300 0.119 0.000 0.992 151 D CA 2.399 56.449 54.000 0.083 0.000 0.833 151 D CB -0.245 40.626 40.800 0.118 0.000 0.954 151 D HN 0.758 nan 8.370 nan 0.000 0.455 152 F N -0.683 119.286 119.950 0.032 0.000 2.451 152 F HA 0.118 4.659 4.527 0.023 0.000 0.299 152 F C 1.211 177.096 175.800 0.142 0.000 1.101 152 F CA 0.486 58.545 58.000 0.099 0.000 1.436 152 F CB -0.252 38.799 39.000 0.086 0.000 1.074 152 F HN -0.048 nan 8.300 nan 0.000 0.553 153 L N 0.794 121.702 121.223 -0.524 0.000 2.769 153 L HA 0.180 4.533 4.340 0.023 0.000 0.240 153 L C 1.946 178.720 176.870 -0.161 0.000 1.163 153 L CA 0.403 55.007 54.840 -0.393 0.000 0.962 153 L CB -0.124 41.577 42.059 -0.596 0.000 1.258 153 L HN 0.349 nan 8.230 nan 0.000 0.513 154 S N -2.499 113.150 115.700 -0.085 0.000 2.524 154 S HA 0.034 4.517 4.470 0.023 0.000 0.216 154 S C 0.432 175.025 174.600 -0.011 0.000 0.987 154 S CA -0.104 58.072 58.200 -0.040 0.000 0.909 154 S CB 0.196 63.386 63.200 -0.016 0.000 0.781 154 S HN 0.323 nan 8.310 nan 0.000 0.521 155 D N 0.778 121.181 120.400 0.005 0.000 2.970 155 D HA 0.350 5.003 4.640 0.023 0.000 0.230 155 D C -2.457 173.854 176.300 0.017 0.000 1.276 155 D CA -1.979 52.031 54.000 0.016 0.000 0.910 155 D CB 2.265 43.084 40.800 0.032 0.000 1.590 155 D HN -0.164 nan 8.370 nan 0.000 0.551 156 P HA -0.080 nan 4.420 nan 0.000 0.219 156 P C 0.583 177.894 177.300 0.019 0.000 1.146 156 P CA 0.757 63.862 63.100 0.009 0.000 0.808 156 P CB 0.461 32.179 31.700 0.029 0.000 0.779 157 N N -0.491 118.226 118.700 0.028 0.000 2.398 157 N HA -0.006 4.747 4.740 0.023 0.000 0.188 157 N C 0.644 176.182 175.510 0.046 0.000 1.122 157 N CA 0.313 53.383 53.050 0.033 0.000 0.866 157 N CB 0.049 38.552 38.487 0.027 0.000 0.970 157 N HN 0.276 nan 8.380 nan 0.000 0.462 158 K N 1.668 122.106 120.400 0.063 0.000 2.285 158 K HA 0.208 4.542 4.320 0.023 0.000 0.286 158 K C -0.535 176.151 176.600 0.144 0.000 1.072 158 K CA -0.325 56.023 56.287 0.101 0.000 0.913 158 K CB 0.571 33.142 32.500 0.118 0.000 1.067 158 K HN -0.145 nan 8.250 nan 0.000 0.479 159 I N 3.692 124.350 120.570 0.147 0.000 2.353 159 I HA 0.160 4.344 4.170 0.023 0.000 0.293 159 I C 0.083 176.367 176.117 0.279 0.000 0.992 159 I CA -0.365 61.056 61.300 0.202 0.000 1.268 159 I CB 1.575 39.640 38.000 0.109 0.000 1.387 159 I HN 0.555 nan 8.210 nan 0.000 0.478 160 T N 7.688 122.494 114.554 0.420 0.000 2.791 160 T HA 0.362 4.726 4.350 0.023 0.000 0.288 160 T C -2.461 172.500 174.700 0.435 0.000 0.999 160 T CA -1.332 61.039 62.100 0.451 0.000 0.952 160 T CB 1.704 70.946 68.868 0.624 0.000 0.938 160 T HN 0.277 nan 8.240 nan 0.000 0.444 161 P HA 0.239 nan 4.420 nan 0.000 0.269 161 P C -0.625 176.918 177.300 0.406 0.000 1.209 161 P CA -0.387 62.908 63.100 0.325 0.000 0.776 161 P CB 0.528 32.341 31.700 0.189 0.000 0.876 162 V N -0.114 119.984 119.914 0.307 0.000 3.040 162 V HA 0.737 4.870 4.120 0.023 0.000 0.312 162 V C -1.366 174.880 176.094 0.254 0.000 1.115 162 V CA -0.965 61.416 62.300 0.134 0.000 0.998 162 V CB 2.280 33.965 31.823 -0.231 0.000 1.042 162 V HN 0.330 nan 8.190 nan 0.000 0.433 163 F N 2.158 122.085 119.950 -0.039 0.000 2.536 163 F HA 0.835 5.376 4.527 0.023 0.000 0.322 163 F C -0.921 174.780 175.800 -0.165 0.000 1.144 163 F CA -0.655 57.274 58.000 -0.118 0.000 0.924 163 F CB 1.864 40.817 39.000 -0.077 0.000 1.181 163 F HN 0.532 nan 8.300 nan 0.000 0.438 164 V N 6.520 125.964 119.914 -0.783 0.000 2.555 164 V HA 0.597 4.731 4.120 0.023 0.000 0.302 164 V C -0.718 174.721 176.094 -1.092 0.000 1.038 164 V CA -0.856 60.925 62.300 -0.864 0.000 0.887 164 V CB 2.035 33.284 31.823 -0.957 0.000 0.991 164 V HN 0.731 nan 8.190 nan 0.000 0.434 165 R N 3.381 123.246 120.500 -1.059 0.000 2.513 165 R HA 0.619 4.973 4.340 0.023 0.000 0.301 165 R C -1.759 173.952 176.300 -0.981 0.000 0.968 165 R CA -0.412 55.177 56.100 -0.852 0.000 0.872 165 R CB 1.202 31.207 30.300 -0.491 0.000 1.177 165 R HN 0.538 nan 8.270 nan 0.000 0.444 166 F N 2.024 121.564 119.950 -0.682 0.000 2.432 166 F HA 0.554 5.095 4.527 0.023 0.000 0.329 166 F C 0.434 175.844 175.800 -0.650 0.000 1.076 166 F CA -0.244 57.208 58.000 -0.913 0.000 1.018 166 F CB 2.211 40.156 39.000 -1.760 0.000 1.201 166 F HN 0.635 nan 8.300 nan 0.000 0.489 167 S N -0.945 114.622 115.700 -0.222 0.000 2.625 167 S HA 0.689 5.173 4.470 0.023 0.000 0.271 167 S C -0.586 174.111 174.600 0.161 0.000 1.161 167 S CA -0.851 57.356 58.200 0.011 0.000 0.820 167 S CB 1.449 64.646 63.200 -0.005 0.000 1.137 167 S HN 0.712 nan 8.310 nan 0.000 0.470 168 T N -1.614 113.064 114.554 0.208 0.000 2.902 168 T HA 0.715 5.079 4.350 0.023 0.000 0.287 168 T C 0.717 175.520 174.700 0.171 0.000 1.048 168 T CA -0.175 62.055 62.100 0.216 0.000 0.941 168 T CB 0.467 69.460 68.868 0.208 0.000 1.432 168 T HN 0.620 nan 8.240 nan 0.000 0.586 169 V N -0.256 119.759 119.914 0.168 0.000 3.029 169 V HA 0.133 4.267 4.120 0.023 0.000 0.230 169 V C 2.707 178.870 176.094 0.115 0.000 1.254 169 V CA 0.267 62.668 62.300 0.169 0.000 1.276 169 V CB -0.228 31.742 31.823 0.245 0.000 1.080 169 V HN 0.868 nan 8.190 nan 0.000 0.495 170 Q N 1.202 121.052 119.800 0.083 0.000 2.062 170 Q HA 0.044 4.398 4.340 0.023 0.000 0.196 170 Q C 1.287 177.296 176.000 0.015 0.000 0.967 170 Q CA 1.420 57.236 55.803 0.022 0.000 0.832 170 Q CB -0.295 28.430 28.738 -0.021 0.000 0.899 170 Q HN 0.589 nan 8.270 nan 0.000 0.442 171 G N -0.066 108.753 108.800 0.032 0.000 2.594 171 G HA2 0.363 4.336 3.960 0.023 0.000 0.243 171 G HA3 0.363 4.336 3.960 0.023 0.000 0.243 171 G C 0.172 175.089 174.900 0.029 0.000 1.229 171 G CA 0.078 45.191 45.100 0.021 0.000 0.843 171 G HN 0.341 nan 8.290 nan 0.000 0.578 172 G N -0.947 107.861 108.800 0.013 0.000 2.653 172 G HA2 0.472 4.445 3.960 0.023 0.000 0.265 172 G HA3 0.472 4.445 3.960 0.023 0.000 0.265 172 G C 1.334 176.261 174.900 0.046 0.000 1.237 172 G CA 0.404 45.517 45.100 0.022 0.000 0.946 172 G HN 1.096 nan 8.290 nan 0.000 0.522 173 A N -0.844 122.011 122.820 0.058 0.000 2.070 173 A HA 0.141 4.475 4.320 0.023 0.000 0.220 173 A C 2.209 179.826 177.584 0.055 0.000 1.159 173 A CA 1.924 54.013 52.037 0.086 0.000 0.656 173 A CB -0.326 18.742 19.000 0.112 0.000 0.800 173 A HN 1.083 nan 8.150 nan 0.000 0.453 174 G N -0.257 108.558 108.800 0.026 0.000 3.189 174 G HA2 0.317 4.291 3.960 0.023 0.000 0.225 174 G HA3 0.317 4.291 3.960 0.023 0.000 0.225 174 G C 0.719 175.620 174.900 0.001 0.000 1.159 174 G CA 0.654 45.755 45.100 0.001 0.000 0.763 174 G HN 0.649 nan 8.290 nan 0.000 0.549 175 S N -0.140 115.569 115.700 0.016 0.000 2.655 175 S HA 0.723 5.207 4.470 0.023 0.000 0.265 175 S C 0.462 175.077 174.600 0.026 0.000 1.240 175 S CA -0.074 58.135 58.200 0.014 0.000 0.986 175 S CB 1.628 64.840 63.200 0.021 0.000 0.985 175 S HN 0.550 nan 8.310 nan 0.000 0.562 176 A N 0.343 123.174 122.820 0.018 0.000 2.322 176 A HA 0.414 4.748 4.320 0.023 0.000 0.269 176 A C 0.640 178.246 177.584 0.036 0.000 1.094 176 A CA -0.583 51.461 52.037 0.011 0.000 0.807 176 A CB -0.066 18.923 19.000 -0.019 0.000 1.047 176 A HN 0.878 nan 8.150 nan 0.000 0.487 177 D N 0.468 120.877 120.400 0.014 0.000 2.120 177 D HA -0.064 4.589 4.640 0.023 0.000 0.202 177 D C 1.608 177.874 176.300 -0.057 0.000 0.972 177 D CA 2.230 56.247 54.000 0.027 0.000 0.837 177 D CB -0.247 40.528 40.800 -0.040 0.000 0.989 177 D HN 0.681 nan 8.370 nan 0.000 0.469 178 T N -0.052 114.387 114.554 -0.192 0.000 3.418 178 T HA 0.286 4.649 4.350 0.023 0.000 0.239 178 T C 0.803 175.486 174.700 -0.028 0.000 0.905 178 T CA -0.573 61.412 62.100 -0.192 0.000 0.929 178 T CB -0.991 67.689 68.868 -0.314 0.000 1.121 178 T HN -0.087 nan 8.240 nan 0.000 0.608 179 V N -1.324 118.630 119.914 0.067 0.000 3.264 179 V HA 0.474 4.608 4.120 0.023 0.000 0.304 179 V C 0.689 176.932 176.094 0.249 0.000 1.086 179 V CA -1.493 60.899 62.300 0.154 0.000 1.090 179 V CB 0.515 32.422 31.823 0.139 0.000 1.112 179 V HN 0.545 nan 8.190 nan 0.000 0.472 180 R N 1.518 122.225 120.500 0.344 0.000 2.216 180 R HA 0.481 4.835 4.340 0.023 0.000 0.332 180 R C -1.024 175.380 176.300 0.174 0.000 1.056 180 R CA -0.052 56.214 56.100 0.277 0.000 0.901 180 R CB 0.126 30.540 30.300 0.189 0.000 1.039 180 R HN 1.060 nan 8.270 nan 0.000 0.456 181 D N 3.307 123.819 120.400 0.187 0.000 2.710 181 D HA 0.179 4.832 4.640 0.023 0.000 0.276 181 D C -0.632 175.800 176.300 0.221 0.000 1.267 181 D CA -0.618 53.486 54.000 0.173 0.000 0.772 181 D CB 1.174 42.073 40.800 0.165 0.000 1.299 181 D HN 0.212 nan 8.370 nan 0.000 0.421 182 I N 1.197 121.919 120.570 0.252 0.000 2.882 182 I HA 0.258 4.441 4.170 0.023 0.000 0.286 182 I C 0.807 177.072 176.117 0.246 0.000 1.139 182 I CA -0.046 61.402 61.300 0.246 0.000 1.379 182 I CB 0.100 38.270 38.000 0.284 0.000 1.410 182 I HN 0.265 nan 8.210 nan 0.000 0.594 183 R N 2.377 123.021 120.500 0.240 0.000 2.562 183 R HA 0.544 4.897 4.340 0.023 0.000 0.298 183 R C -0.140 176.281 176.300 0.202 0.000 0.961 183 R CA -0.761 55.485 56.100 0.243 0.000 0.881 183 R CB 1.513 31.986 30.300 0.289 0.000 1.159 183 R HN 0.801 nan 8.270 nan 0.000 0.450 184 G N 1.185 110.069 108.800 0.141 0.000 2.420 184 G HA2 0.454 4.427 3.960 0.023 0.000 0.284 184 G HA3 0.454 4.427 3.960 0.023 0.000 0.284 184 G C -1.223 173.708 174.900 0.053 0.000 1.177 184 G CA -0.058 45.088 45.100 0.077 0.000 0.841 184 G HN 0.363 nan 8.290 nan 0.000 0.527 185 F N 2.331 122.176 119.950 -0.175 0.000 2.949 185 F HA 0.640 5.181 4.527 0.022 0.000 0.376 185 F C -0.146 175.374 175.800 -0.467 0.000 1.205 185 F CA -1.907 55.903 58.000 -0.316 0.000 1.155 185 F CB 0.950 39.876 39.000 -0.122 0.000 1.495 185 F HN 0.649 nan 8.300 nan 0.000 0.551 186 A N 3.207 125.763 122.820 -0.440 0.000 2.304 186 A HA 0.780 5.113 4.320 0.023 0.000 0.323 186 A C -0.523 176.617 177.584 -0.740 0.000 1.195 186 A CA -0.411 51.199 52.037 -0.712 0.000 0.826 186 A CB 0.737 18.930 19.000 -1.345 0.000 1.184 186 A HN 0.534 nan 8.150 nan 0.000 0.496 187 T N 2.365 116.648 114.554 -0.451 0.000 2.809 187 T HA 0.369 4.733 4.350 0.023 0.000 0.284 187 T C -0.352 174.151 174.700 -0.330 0.000 0.992 187 T CA -0.465 61.377 62.100 -0.430 0.000 0.957 187 T CB 0.998 69.561 68.868 -0.509 0.000 0.942 187 T HN 0.628 nan 8.240 nan 0.000 0.439 188 K N 3.618 123.906 120.400 -0.187 0.000 2.264 188 K HA 0.424 4.757 4.320 0.023 0.000 0.277 188 K C -1.217 175.049 176.600 -0.557 0.000 1.067 188 K CA -0.577 55.517 56.287 -0.323 0.000 0.900 188 K CB 0.264 32.521 32.500 -0.406 0.000 1.124 188 K HN 0.399 nan 8.250 nan 0.000 0.469 189 F N 4.328 123.993 119.950 -0.474 0.000 2.391 189 F HA 0.223 4.763 4.527 0.023 0.000 0.359 189 F C -0.375 175.228 175.800 -0.329 0.000 1.122 189 F CA -0.570 57.215 58.000 -0.358 0.000 1.120 189 F CB 0.641 39.343 39.000 -0.498 0.000 1.142 189 F HN 0.438 nan 8.300 nan 0.000 0.483 190 Y N 1.892 122.250 120.300 0.096 0.000 2.714 190 Y HA 0.223 4.786 4.550 0.022 0.000 0.333 190 Y C 1.025 176.980 175.900 0.090 0.000 1.220 190 Y CA -0.871 57.266 58.100 0.062 0.000 1.513 190 Y CB -0.181 38.307 38.460 0.046 0.000 1.435 190 Y HN 0.548 nan 8.280 nan 0.000 0.489 191 T N -2.424 112.224 114.554 0.157 0.000 2.847 191 T HA 0.179 4.543 4.350 0.023 0.000 0.279 191 T C 1.010 175.798 174.700 0.148 0.000 0.984 191 T CA -0.676 61.520 62.100 0.160 0.000 0.988 191 T CB 1.107 70.044 68.868 0.115 0.000 1.040 191 T HN 0.640 nan 8.240 nan 0.000 0.528 192 E N -0.048 120.244 120.200 0.153 0.000 2.347 192 E HA -0.036 4.327 4.350 0.023 0.000 0.196 192 E C 1.037 177.699 176.600 0.104 0.000 1.008 192 E CA 0.721 57.194 56.400 0.121 0.000 0.852 192 E CB 0.129 29.899 29.700 0.116 0.000 0.783 192 E HN 0.724 nan 8.360 nan 0.000 0.505 193 E N 0.035 120.298 120.200 0.105 0.000 2.651 193 E HA 0.266 4.629 4.350 0.023 0.000 0.208 193 E C -0.008 176.633 176.600 0.068 0.000 0.997 193 E CA -0.258 56.196 56.400 0.089 0.000 1.020 193 E CB 1.344 31.100 29.700 0.093 0.000 1.052 193 E HN 0.172 nan 8.360 nan 0.000 0.465 194 G N 1.146 109.980 108.800 0.057 0.000 2.406 194 G HA2 -0.104 3.870 3.960 0.023 0.000 0.680 194 G HA3 -0.104 3.870 3.960 0.023 0.000 0.680 194 G C -0.889 174.007 174.900 -0.007 0.000 1.338 194 G CA -1.130 43.977 45.100 0.012 0.000 0.941 194 G HN 0.022 nan 8.290 nan 0.000 0.633 195 I N 0.782 121.308 120.570 -0.074 0.000 2.556 195 I HA 0.384 4.567 4.170 0.023 0.000 0.284 195 I C 0.131 176.233 176.117 -0.025 0.000 1.114 195 I CA 0.079 61.311 61.300 -0.115 0.000 1.418 195 I CB 0.708 38.566 38.000 -0.238 0.000 1.394 195 I HN 0.479 nan 8.210 nan 0.000 0.552 196 F N 6.749 126.581 119.950 -0.196 0.000 2.477 196 F HA 0.460 5.001 4.527 0.023 0.000 0.335 196 F C -0.692 175.067 175.800 -0.069 0.000 1.130 196 F CA -1.113 56.768 58.000 -0.198 0.000 0.948 196 F CB 0.893 39.626 39.000 -0.445 0.000 1.154 196 F HN 0.342 nan 8.300 nan 0.000 0.439 197 D N 6.508 126.656 120.400 -0.421 0.000 2.303 197 D HA 0.278 4.931 4.640 0.023 0.000 0.236 197 D C -1.109 174.694 176.300 -0.828 0.000 1.068 197 D CA -0.132 53.593 54.000 -0.459 0.000 0.830 197 D CB 2.255 43.004 40.800 -0.086 0.000 1.109 197 D HN 0.512 nan 8.370 nan 0.000 0.496 198 L N 3.858 124.597 121.223 -0.807 0.000 2.283 198 L HA 0.286 4.639 4.340 0.023 0.000 0.281 198 L C -1.094 175.579 176.870 -0.328 0.000 1.033 198 L CA -0.669 53.778 54.840 -0.655 0.000 0.848 198 L CB 1.114 42.804 42.059 -0.614 0.000 1.226 198 L HN 0.084 nan 8.230 nan 0.000 0.429 199 V N 6.035 125.814 119.914 -0.225 0.000 2.247 199 V HA 0.696 4.830 4.120 0.023 0.000 0.262 199 V C 0.870 176.919 176.094 -0.074 0.000 1.096 199 V CA -0.010 62.187 62.300 -0.172 0.000 0.895 199 V CB 0.080 31.802 31.823 -0.169 0.000 1.141 199 V HN 0.845 nan 8.190 nan 0.000 0.478 200 G N 3.178 111.931 108.800 -0.077 0.000 2.887 200 G HA2 0.651 4.624 3.960 0.023 0.000 0.277 200 G HA3 0.651 4.624 3.960 0.023 0.000 0.277 200 G C -0.834 174.093 174.900 0.045 0.000 1.346 200 G CA -0.612 44.481 45.100 -0.013 0.000 1.058 200 G HN 0.484 nan 8.290 nan 0.000 0.535 201 N N -0.978 117.779 118.700 0.094 0.000 2.701 201 N HA 0.250 5.004 4.740 0.023 0.000 0.290 201 N C 0.422 176.090 175.510 0.263 0.000 1.338 201 N CA -0.764 52.380 53.050 0.157 0.000 0.799 201 N CB 1.353 39.901 38.487 0.102 0.000 1.491 201 N HN 0.518 nan 8.380 nan 0.000 0.540 202 N N -1.390 117.478 118.700 0.281 0.000 2.322 202 N HA -0.008 4.745 4.740 0.023 0.000 0.194 202 N C -0.567 175.172 175.510 0.382 0.000 1.126 202 N CA -0.039 53.236 53.050 0.375 0.000 0.845 202 N CB -0.138 38.549 38.487 0.333 0.000 0.976 202 N HN 0.542 nan 8.380 nan 0.000 0.475 203 T N -3.276 111.319 114.554 0.067 0.000 2.893 203 T HA 0.430 4.794 4.350 0.023 0.000 0.293 203 T C -2.610 171.474 174.700 -1.025 0.000 1.027 203 T CA -1.615 60.107 62.100 -0.629 0.000 0.988 203 T CB 3.081 71.483 68.868 -0.776 0.000 1.043 203 T HN -0.229 nan 8.240 nan 0.000 0.461 204 P HA 0.182 nan 4.420 nan 0.000 0.245 204 P C 0.391 177.157 177.300 -0.890 0.000 1.212 204 P CA 0.062 62.241 63.100 -1.535 0.000 0.774 204 P CB -0.063 30.593 31.700 -1.740 0.000 0.999 205 I N -4.303 115.715 120.570 -0.920 0.000 3.174 205 I HA 0.555 4.738 4.170 0.023 0.000 0.313 205 I C -1.329 174.488 176.117 -0.501 0.000 1.155 205 I CA -2.014 58.905 61.300 -0.634 0.000 0.977 205 I CB 1.476 39.087 38.000 -0.648 0.000 1.248 205 I HN -0.241 nan 8.210 nan 0.000 0.453 206 F N 0.857 120.515 119.950 -0.487 0.000 2.613 206 F HA 0.522 5.062 4.527 0.023 0.000 0.342 206 F C 0.283 175.833 175.800 -0.417 0.000 1.066 206 F CA -0.714 57.030 58.000 -0.427 0.000 1.002 206 F CB 1.843 40.711 39.000 -0.221 0.000 1.319 206 F HN 0.392 nan 8.300 nan 0.000 0.495 207 F N 2.147 121.241 119.950 -1.427 0.000 2.206 207 F HA 0.046 4.586 4.527 0.023 0.000 0.298 207 F C 0.768 176.250 175.800 -0.530 0.000 1.090 207 F CA 0.808 58.209 58.000 -0.999 0.000 1.323 207 F CB -0.161 37.900 39.000 -1.565 0.000 1.028 207 F HN 0.157 nan 8.300 nan 0.000 0.492 208 I N -2.814 117.687 120.570 -0.116 0.000 2.910 208 I HA 0.369 4.553 4.170 0.023 0.000 0.310 208 I C 0.496 176.759 176.117 0.242 0.000 1.043 208 I CA -0.815 60.565 61.300 0.133 0.000 1.053 208 I CB 1.771 39.916 38.000 0.240 0.000 1.242 208 I HN -0.097 nan 8.210 nan 0.000 0.452 209 Q N 0.301 120.243 119.800 0.236 0.000 2.259 209 Q HA 0.118 4.471 4.340 0.023 0.000 0.201 209 Q C -0.254 175.916 176.000 0.283 0.000 0.938 209 Q CA 0.632 56.613 55.803 0.297 0.000 0.872 209 Q CB 0.392 29.374 28.738 0.406 0.000 0.971 209 Q HN 0.664 nan 8.270 nan 0.000 0.494 210 D N -1.110 119.430 120.400 0.233 0.000 2.362 210 D HA 0.311 4.964 4.640 0.023 0.000 0.247 210 D C 0.013 176.439 176.300 0.210 0.000 1.050 210 D CA -0.227 53.882 54.000 0.181 0.000 0.839 210 D CB 1.843 42.720 40.800 0.129 0.000 1.283 210 D HN 0.052 nan 8.370 nan 0.000 0.477 211 A N 3.291 126.206 122.820 0.159 0.000 2.024 211 A HA -0.230 4.103 4.320 0.023 0.000 0.220 211 A C 1.804 179.507 177.584 0.199 0.000 1.164 211 A CA 1.676 53.800 52.037 0.146 0.000 0.643 211 A CB -0.787 18.244 19.000 0.051 0.000 0.806 211 A HN 0.819 nan 8.150 nan 0.000 0.451 212 H N 0.030 119.157 119.070 0.096 0.000 2.457 212 H HA -0.016 4.554 4.556 0.023 0.000 0.297 212 H C 1.532 176.933 175.328 0.123 0.000 1.092 212 H CA 1.877 57.975 56.048 0.082 0.000 1.309 212 H CB 0.058 29.845 29.762 0.042 0.000 1.382 212 H HN 0.398 nan 8.280 nan 0.000 0.535 213 K N -0.580 119.945 120.400 0.208 0.000 2.404 213 K HA -0.030 4.303 4.320 0.023 0.000 0.194 213 K C 1.322 178.057 176.600 0.225 0.000 1.023 213 K CA -0.059 56.348 56.287 0.199 0.000 1.094 213 K CB 0.073 32.746 32.500 0.289 0.000 0.841 213 K HN 0.286 nan 8.250 nan 0.000 0.523 214 F N 2.956 122.959 119.950 0.088 0.000 2.065 214 F HA -0.180 4.360 4.527 0.022 0.000 0.298 214 F C -0.997 174.807 175.800 0.007 0.000 1.112 214 F CA 1.546 59.615 58.000 0.116 0.000 1.212 214 F CB -0.490 38.559 39.000 0.081 0.000 0.975 214 F HN 0.031 nan 8.300 nan 0.000 0.476 215 P HA -0.154 nan 4.420 nan 0.000 0.216 215 P C 1.053 178.026 177.300 -0.544 0.000 1.150 215 P CA 1.885 64.723 63.100 -0.437 0.000 0.837 215 P CB -0.088 31.382 31.700 -0.383 0.000 0.786 216 D N -1.216 119.018 120.400 -0.277 0.000 2.084 216 D HA -0.175 4.479 4.640 0.023 0.000 0.194 216 D C 1.838 177.848 176.300 -0.484 0.000 0.990 216 D CA 1.114 54.994 54.000 -0.201 0.000 0.826 216 D CB -0.910 39.955 40.800 0.109 0.000 0.971 216 D HN 0.159 nan 8.370 nan 0.000 0.453 217 F N 1.863 121.413 119.950 -0.666 0.000 2.102 217 F HA -0.227 4.314 4.527 0.023 0.000 0.298 217 F C 2.282 177.700 175.800 -0.638 0.000 1.105 217 F CA 1.164 58.577 58.000 -0.978 0.000 1.239 217 F CB -0.233 38.439 39.000 -0.547 0.000 0.991 217 F HN -0.245 nan 8.300 nan 0.000 0.474 218 V N 0.406 119.902 119.914 -0.697 0.000 2.343 218 V HA -0.347 3.787 4.120 0.023 0.000 0.247 218 V C 2.301 178.169 176.094 -0.377 0.000 1.051 218 V CA 2.462 64.386 62.300 -0.626 0.000 1.036 218 V CB -1.117 30.342 31.823 -0.608 0.000 0.654 218 V HN 0.482 nan 8.190 nan 0.000 0.451 219 H N -0.232 118.603 119.070 -0.391 0.000 2.387 219 H HA -0.156 4.413 4.556 0.022 0.000 0.299 219 H C 2.332 177.512 175.328 -0.247 0.000 1.099 219 H CA 1.090 56.990 56.048 -0.246 0.000 1.315 219 H CB 0.027 29.692 29.762 -0.162 0.000 1.380 219 H HN 0.491 nan 8.280 nan 0.000 0.513 220 A N 0.390 123.040 122.820 -0.283 0.000 1.898 220 A HA -0.115 4.219 4.320 0.023 0.000 0.216 220 A C 2.514 179.957 177.584 -0.235 0.000 1.181 220 A CA 1.424 53.290 52.037 -0.285 0.000 0.620 220 A CB -0.716 17.980 19.000 -0.505 0.000 0.819 220 A HN 0.305 nan 8.150 nan 0.000 0.442 221 V N -0.201 119.454 119.914 -0.431 0.000 2.649 221 V HA -0.006 4.128 4.120 0.023 0.000 0.248 221 V C 0.958 177.038 176.094 -0.023 0.000 1.054 221 V CA 0.873 63.003 62.300 -0.284 0.000 1.073 221 V CB -0.471 30.992 31.823 -0.600 0.000 0.699 221 V HN 0.345 nan 8.190 nan 0.000 0.463 222 K N 0.932 121.277 120.400 -0.091 0.000 2.156 222 K HA 0.221 4.554 4.320 0.023 0.000 0.242 222 K C -2.281 174.271 176.600 -0.080 0.000 1.033 222 K CA -1.618 54.625 56.287 -0.074 0.000 0.878 222 K CB -0.504 31.943 32.500 -0.088 0.000 1.057 222 K HN 0.157 nan 8.250 nan 0.000 0.505 223 P HA -0.031 nan 4.420 nan 0.000 0.264 223 P C -0.562 176.678 177.300 -0.100 0.000 1.183 223 P CA 0.486 63.454 63.100 -0.221 0.000 0.763 223 P CB 0.298 31.879 31.700 -0.198 0.000 0.807 224 E N 5.599 125.784 120.200 -0.024 0.000 2.398 224 E HA -0.014 4.349 4.350 0.023 0.000 0.263 224 E C -1.241 175.437 176.600 0.131 0.000 1.046 224 E CA -1.272 55.225 56.400 0.162 0.000 0.908 224 E CB 0.127 30.055 29.700 0.379 0.000 0.963 224 E HN 0.426 nan 8.360 nan 0.000 0.431 225 P HA -0.198 nan 4.420 nan 0.000 0.222 225 P C 0.987 178.364 177.300 0.129 0.000 1.153 225 P CA 1.359 64.504 63.100 0.076 0.000 0.798 225 P CB 0.039 31.753 31.700 0.023 0.000 0.796 226 H N -0.652 118.454 119.070 0.060 0.000 2.326 226 H HA -0.089 4.481 4.556 0.023 0.000 0.301 226 H C 1.482 176.907 175.328 0.161 0.000 1.081 226 H CA 1.507 57.576 56.048 0.035 0.000 1.334 226 H CB -1.412 28.296 29.762 -0.090 0.000 1.385 226 H HN 0.313 nan 8.280 nan 0.000 0.504 227 W N -0.059 120.892 121.300 -0.582 0.000 2.870 227 W HA 0.703 5.376 4.660 0.022 0.000 0.358 227 W C 0.415 176.769 176.519 -0.274 0.000 1.043 227 W CA -1.152 55.967 57.345 -0.377 0.000 1.692 227 W CB -0.734 28.482 29.460 -0.407 0.000 1.100 227 W HN 0.446 nan 8.180 nan 0.000 0.557 228 A N 1.339 124.132 122.820 -0.044 0.000 2.578 228 A HA -0.115 4.218 4.320 0.023 0.000 0.298 228 A C -0.485 176.859 177.584 -0.399 0.000 1.472 228 A CA 1.413 53.343 52.037 -0.177 0.000 0.734 228 A CB -2.418 16.508 19.000 -0.123 0.000 1.091 228 A HN 0.481 nan 8.150 nan 0.000 0.426 229 I N 0.586 120.776 120.570 -0.633 0.000 2.722 229 I HA 0.559 4.743 4.170 0.023 0.000 0.295 229 I C -2.542 173.259 176.117 -0.527 0.000 1.161 229 I CA -2.264 58.568 61.300 -0.781 0.000 1.032 229 I CB 3.084 40.155 38.000 -1.549 0.000 1.244 229 I HN 0.234 nan 8.210 nan 0.000 0.421 230 P HA 0.343 nan 4.420 nan 0.000 0.289 230 P C -1.634 175.496 177.300 -0.283 0.000 1.293 230 P CA -0.862 62.008 63.100 -0.383 0.000 0.897 230 P CB 1.719 33.270 31.700 -0.248 0.000 1.166 231 Q N 0.509 120.193 119.800 -0.194 0.000 2.261 231 Q HA 0.496 4.850 4.340 0.023 0.000 0.252 231 Q C 1.075 177.040 176.000 -0.059 0.000 0.915 231 Q CA 0.907 56.636 55.803 -0.123 0.000 0.915 231 Q CB -0.192 28.484 28.738 -0.104 0.000 1.204 231 Q HN 0.815 nan 8.270 nan 0.000 0.421 232 G N 2.981 111.762 108.800 -0.032 0.000 2.225 232 G HA2 -0.298 3.676 3.960 0.023 0.000 0.267 232 G HA3 -0.298 3.676 3.960 0.023 0.000 0.267 232 G C -0.416 174.510 174.900 0.044 0.000 1.024 232 G CA 0.683 45.793 45.100 0.017 0.000 0.784 232 G HN 0.540 nan 8.290 nan 0.000 0.507 233 Q N -1.234 118.576 119.800 0.018 0.000 2.340 233 Q HA 0.559 4.912 4.340 0.023 0.000 0.276 233 Q C 0.708 176.730 176.000 0.037 0.000 1.048 233 Q CA -0.142 55.697 55.803 0.060 0.000 0.832 233 Q CB 1.806 30.619 28.738 0.125 0.000 1.373 233 Q HN 0.445 nan 8.270 nan 0.000 0.409 234 S N -0.628 114.999 115.700 -0.121 0.000 2.556 234 S HA 0.226 4.709 4.470 0.023 0.000 0.216 234 S C 0.852 175.399 174.600 -0.089 0.000 0.970 234 S CA -0.018 57.872 58.200 -0.516 0.000 0.912 234 S CB 0.387 62.727 63.200 -1.433 0.000 0.790 234 S HN 0.596 nan 8.310 nan 0.000 0.504 235 A N 2.431 125.391 122.820 0.232 0.000 3.026 235 A HA 0.528 4.862 4.320 0.023 0.000 0.272 235 A C 0.072 177.889 177.584 0.388 0.000 1.782 235 A CA -0.534 51.713 52.037 0.350 0.000 1.451 235 A CB -1.271 17.851 19.000 0.203 0.000 1.081 235 A HN 0.898 nan 8.150 nan 0.000 0.611 236 H N -3.175 116.084 119.070 0.315 0.000 3.037 236 H HA 0.451 5.021 4.556 0.023 0.000 0.336 236 H C -0.219 175.306 175.328 0.328 0.000 1.323 236 H CA -0.709 55.488 56.048 0.248 0.000 1.159 236 H CB 0.211 30.078 29.762 0.177 0.000 1.882 236 H HN 0.109 nan 8.280 nan 0.000 0.535 237 D N 0.465 121.029 120.400 0.272 0.000 2.126 237 D HA -0.259 4.394 4.640 0.023 0.000 0.190 237 D C 2.158 178.518 176.300 0.099 0.000 1.001 237 D CA 3.457 57.558 54.000 0.168 0.000 0.841 237 D CB -0.401 40.480 40.800 0.134 0.000 0.949 237 D HN 0.804 nan 8.370 nan 0.000 0.446 238 T N -1.625 112.984 114.554 0.092 0.000 2.788 238 T HA -0.230 4.133 4.350 0.023 0.000 0.268 238 T C 1.901 176.539 174.700 -0.104 0.000 1.044 238 T CA 0.929 63.049 62.100 0.033 0.000 1.139 238 T CB -0.765 68.172 68.868 0.116 0.000 0.867 238 T HN 0.192 nan 8.240 nan 0.000 0.454 239 F N 0.801 120.437 119.950 -0.523 0.000 2.075 239 F HA 0.064 4.604 4.527 0.022 0.000 0.297 239 F C 1.882 177.418 175.800 -0.440 0.000 1.113 239 F CA 0.868 58.490 58.000 -0.630 0.000 1.218 239 F CB -0.600 37.835 39.000 -0.941 0.000 0.984 239 F HN 0.158 nan 8.300 nan 0.000 0.472 240 W N 0.551 121.777 121.300 -0.123 0.000 2.519 240 W HA -0.081 4.593 4.660 0.023 0.000 0.266 240 W C 2.259 178.697 176.519 -0.135 0.000 1.253 240 W CA 0.943 58.208 57.345 -0.133 0.000 1.274 240 W CB -0.569 28.896 29.460 0.009 0.000 1.114 240 W HN 0.087 nan 8.180 nan 0.000 0.596 241 D N -0.599 119.837 120.400 0.061 0.000 2.084 241 D HA -0.285 4.369 4.640 0.023 0.000 0.194 241 D C 1.887 178.188 176.300 0.001 0.000 0.990 241 D CA 1.433 55.453 54.000 0.034 0.000 0.826 241 D CB -0.534 40.295 40.800 0.049 0.000 0.971 241 D HN 0.183 nan 8.370 nan 0.000 0.453 242 Y N 0.475 120.668 120.300 -0.178 0.000 2.145 242 Y HA -0.188 4.375 4.550 0.023 0.000 0.286 242 Y C 2.271 178.033 175.900 -0.230 0.000 1.145 242 Y CA 1.499 59.480 58.100 -0.198 0.000 1.148 242 Y CB -0.466 37.846 38.460 -0.247 0.000 0.981 242 Y HN -0.114 nan 8.280 nan 0.000 0.507 243 V N 0.205 119.994 119.914 -0.207 0.000 2.332 243 V HA -0.356 3.777 4.120 0.023 0.000 0.248 243 V C 2.639 178.670 176.094 -0.105 0.000 1.055 243 V CA 2.295 64.458 62.300 -0.228 0.000 1.038 243 V CB -1.242 30.331 31.823 -0.416 0.000 0.651 243 V HN 0.679 nan 8.190 nan 0.000 0.450 244 S N -0.296 115.385 115.700 -0.031 0.000 2.419 244 S HA -0.088 4.395 4.470 0.023 0.000 0.233 244 S C 1.733 176.296 174.600 -0.062 0.000 1.016 244 S CA 1.480 59.683 58.200 0.005 0.000 0.974 244 S CB -0.448 62.782 63.200 0.049 0.000 0.786 244 S HN 0.564 nan 8.310 nan 0.000 0.492 245 L N -0.081 121.059 121.223 -0.139 0.000 2.585 245 L HA 0.311 4.665 4.340 0.023 0.000 0.226 245 L C 0.553 177.251 176.870 -0.287 0.000 1.113 245 L CA 0.154 54.886 54.840 -0.180 0.000 0.876 245 L CB 0.028 41.979 42.059 -0.180 0.000 1.072 245 L HN 0.258 nan 8.230 nan 0.000 0.468 246 Q N 0.333 119.916 119.800 -0.362 0.000 2.932 246 Q HA 0.235 4.589 4.340 0.023 0.000 0.248 246 Q C -1.913 173.865 176.000 -0.370 0.000 0.982 246 Q CA -1.549 53.997 55.803 -0.429 0.000 0.730 246 Q CB 1.608 29.978 28.738 -0.613 0.000 1.249 246 Q HN -0.022 nan 8.270 nan 0.000 0.476 247 P HA -0.239 nan 4.420 nan 0.000 0.219 247 P C 1.062 178.076 177.300 -0.476 0.000 1.146 247 P CA 1.259 64.102 63.100 -0.428 0.000 0.808 247 P CB 0.260 31.644 31.700 -0.527 0.000 0.779 248 E N 0.578 120.361 120.200 -0.694 0.000 2.219 248 E HA -0.203 4.160 4.350 0.023 0.000 0.198 248 E C 1.533 178.094 176.600 -0.066 0.000 0.998 248 E CA 1.993 58.246 56.400 -0.243 0.000 0.818 248 E CB -1.418 28.197 29.700 -0.140 0.000 0.741 248 E HN 0.302 nan 8.360 nan 0.000 0.477 249 T N -0.438 114.073 114.554 -0.070 0.000 3.007 249 T HA -0.016 4.347 4.350 0.023 0.000 0.270 249 T C 1.999 176.771 174.700 0.120 0.000 1.107 249 T CA 0.624 62.746 62.100 0.037 0.000 1.118 249 T CB -0.387 68.513 68.868 0.054 0.000 0.889 249 T HN 0.154 nan 8.240 nan 0.000 0.506 250 L N 0.140 121.438 121.223 0.124 0.000 2.079 250 L HA -0.144 4.210 4.340 0.023 0.000 0.210 250 L C 2.865 179.914 176.870 0.299 0.000 1.081 250 L CA 2.029 57.015 54.840 0.244 0.000 0.752 250 L CB -0.845 41.370 42.059 0.260 0.000 0.896 250 L HN 0.486 nan 8.230 nan 0.000 0.433 251 H N 0.109 119.240 119.070 0.101 0.000 2.267 251 H HA -0.228 4.341 4.556 0.023 0.000 0.297 251 H C 2.188 177.543 175.328 0.045 0.000 1.080 251 H CA 1.954 58.061 56.048 0.099 0.000 1.278 251 H CB 0.143 29.924 29.762 0.033 0.000 1.365 251 H HN 0.367 nan 8.280 nan 0.000 0.489 252 N N -0.120 118.420 118.700 -0.267 0.000 2.289 252 N HA -0.131 4.622 4.740 0.023 0.000 0.184 252 N C 1.947 177.310 175.510 -0.244 0.000 1.016 252 N CA 0.755 53.432 53.050 -0.621 0.000 0.872 252 N CB 0.244 37.897 38.487 -1.389 0.000 0.973 252 N HN 0.132 nan 8.380 nan 0.000 0.433 253 V N 1.575 121.574 119.914 0.142 0.000 2.343 253 V HA -0.238 3.896 4.120 0.023 0.000 0.247 253 V C 2.476 178.718 176.094 0.246 0.000 1.051 253 V CA 1.190 63.715 62.300 0.373 0.000 1.036 253 V CB -0.336 31.746 31.823 0.432 0.000 0.654 253 V HN 0.391 nan 8.190 nan 0.000 0.451 254 M N -1.536 118.237 119.600 0.289 0.000 2.080 254 M HA -0.220 4.273 4.480 0.023 0.000 0.260 254 M C 2.079 178.375 176.300 -0.007 0.000 1.068 254 M CA 1.921 57.387 55.300 0.276 0.000 1.109 254 M CB -1.297 31.504 32.600 0.335 0.000 1.342 254 M HN 0.467 nan 8.290 nan 0.000 0.405 255 W N 0.453 121.483 121.300 -0.451 0.000 2.358 255 W HA -0.094 4.580 4.660 0.023 0.000 0.303 255 W C 2.798 179.247 176.519 -0.116 0.000 1.208 255 W CA 1.843 58.903 57.345 -0.474 0.000 1.274 255 W CB -0.977 28.126 29.460 -0.595 0.000 1.138 255 W HN 0.296 nan 8.180 nan 0.000 0.515 256 A N -0.669 122.242 122.820 0.152 0.000 1.930 256 A HA -0.174 4.159 4.320 0.023 0.000 0.217 256 A C 1.929 179.574 177.584 0.102 0.000 1.175 256 A CA 1.625 53.759 52.037 0.161 0.000 0.627 256 A CB -0.585 18.554 19.000 0.231 0.000 0.815 256 A HN 0.094 nan 8.150 nan 0.000 0.443 257 M N 0.760 120.370 119.600 0.017 0.000 2.394 257 M HA 0.006 4.499 4.480 0.023 0.000 0.264 257 M C 1.527 177.864 176.300 0.061 0.000 1.073 257 M CA 0.859 56.100 55.300 -0.098 0.000 1.111 257 M CB -1.468 30.786 32.600 -0.577 0.000 1.401 257 M HN 0.553 nan 8.290 nan 0.000 0.448 258 S N 0.289 116.088 115.700 0.166 0.000 2.641 258 S HA 0.076 4.559 4.470 0.023 0.000 0.261 258 S C 0.776 175.516 174.600 0.232 0.000 1.257 258 S CA -0.403 57.940 58.200 0.239 0.000 0.983 258 S CB 0.840 64.231 63.200 0.318 0.000 0.990 258 S HN 0.187 nan 8.310 nan 0.000 0.572 259 D N 0.169 120.728 120.400 0.266 0.000 2.350 259 D HA 0.021 4.674 4.640 0.023 0.000 0.216 259 D C 1.920 178.380 176.300 0.268 0.000 0.968 259 D CA 0.361 54.543 54.000 0.303 0.000 0.894 259 D CB -0.164 40.887 40.800 0.420 0.000 0.909 259 D HN 0.362 nan 8.370 nan 0.000 0.520 260 R N 0.228 120.878 120.500 0.250 0.000 2.127 260 R HA -0.060 4.293 4.340 0.023 0.000 0.238 260 R C 2.103 178.566 176.300 0.273 0.000 1.134 260 R CA 1.072 57.340 56.100 0.280 0.000 0.975 260 R CB -0.912 29.614 30.300 0.376 0.000 0.865 260 R HN 0.200 nan 8.270 nan 0.000 0.447 261 G N 1.236 110.186 108.800 0.250 0.000 2.679 261 G HA2 -0.032 3.941 3.960 0.023 0.000 0.212 261 G HA3 -0.032 3.941 3.960 0.023 0.000 0.212 261 G C 1.012 176.065 174.900 0.255 0.000 1.137 261 G CA 0.142 45.383 45.100 0.236 0.000 0.787 261 G HN 0.424 nan 8.290 nan 0.000 0.534 262 I N -1.980 118.751 120.570 0.267 0.000 2.925 262 I HA 0.366 4.549 4.170 0.023 0.000 0.296 262 I C -2.881 173.401 176.117 0.275 0.000 1.413 262 I CA -2.686 58.778 61.300 0.274 0.000 0.932 262 I CB 1.800 39.964 38.000 0.273 0.000 1.873 262 I HN -0.265 nan 8.210 nan 0.000 0.619 263 P HA 0.100 nan 4.420 nan 0.000 0.269 263 P C 0.587 178.035 177.300 0.247 0.000 1.209 263 P CA -0.199 63.021 63.100 0.201 0.000 0.776 263 P CB 1.244 32.999 31.700 0.092 0.000 0.876 264 R N 2.083 122.710 120.500 0.212 0.000 2.081 264 R HA -0.023 4.331 4.340 0.023 0.000 0.235 264 R C 0.552 176.992 176.300 0.235 0.000 1.131 264 R CA 1.710 57.978 56.100 0.280 0.000 0.960 264 R CB -0.566 29.867 30.300 0.222 0.000 0.856 264 R HN 0.557 nan 8.270 nan 0.000 0.436 265 S N -3.177 112.451 115.700 -0.120 0.000 2.588 265 S HA 0.255 4.739 4.470 0.023 0.000 0.269 265 S C -0.268 174.000 174.600 -0.553 0.000 1.157 265 S CA -0.847 57.087 58.200 -0.444 0.000 0.824 265 S CB 0.199 63.287 63.200 -0.186 0.000 1.126 265 S HN 0.121 nan 8.310 nan 0.000 0.464 266 Y N 1.809 121.736 120.300 -0.621 0.000 2.421 266 Y HA 0.110 4.673 4.550 0.022 0.000 0.292 266 Y C 2.371 177.916 175.900 -0.592 0.000 1.136 266 Y CA 1.007 58.622 58.100 -0.808 0.000 1.255 266 Y CB -0.300 37.303 38.460 -1.429 0.000 0.991 266 Y HN 0.544 nan 8.280 nan 0.000 0.552 267 R N -0.535 119.824 120.500 -0.235 0.000 2.235 267 R HA -0.033 4.320 4.340 0.023 0.000 0.213 267 R C 0.940 177.192 176.300 -0.080 0.000 1.059 267 R CA 1.497 57.512 56.100 -0.142 0.000 0.997 267 R CB -0.335 29.875 30.300 -0.150 0.000 0.884 267 R HN 0.312 nan 8.270 nan 0.000 0.462 268 T N -1.664 112.858 114.554 -0.053 0.000 3.313 268 T HA 0.377 4.741 4.350 0.023 0.000 0.263 268 T C 0.103 174.840 174.700 0.061 0.000 0.983 268 T CA -0.689 61.412 62.100 0.001 0.000 0.963 268 T CB -0.104 68.751 68.868 -0.021 0.000 1.141 268 T HN 0.066 nan 8.240 nan 0.000 0.526 269 M N -1.260 118.416 119.600 0.127 0.000 2.593 269 M HA 0.732 5.226 4.480 0.023 0.000 0.290 269 M C -1.223 175.250 176.300 0.289 0.000 1.244 269 M CA -0.888 54.528 55.300 0.194 0.000 0.857 269 M CB 2.181 34.890 32.600 0.182 0.000 1.738 269 M HN -0.137 nan 8.290 nan 0.000 0.461 270 E N 0.414 120.789 120.200 0.292 0.000 2.314 270 E HA 0.666 5.030 4.350 0.023 0.000 0.262 270 E C -0.323 176.373 176.600 0.161 0.000 1.093 270 E CA -0.596 55.920 56.400 0.194 0.000 0.908 270 E CB 1.726 31.488 29.700 0.102 0.000 1.091 270 E HN 0.860 nan 8.360 nan 0.000 0.425 271 G N 0.887 109.621 108.800 -0.109 0.000 2.542 271 G HA2 0.622 4.595 3.960 0.023 0.000 0.311 271 G HA3 0.622 4.595 3.960 0.023 0.000 0.311 271 G C -1.461 173.086 174.900 -0.589 0.000 1.298 271 G CA -0.439 44.590 45.100 -0.118 0.000 0.973 271 G HN 0.280 nan 8.290 nan 0.000 0.487 272 F N 0.018 119.912 119.950 -0.094 0.000 2.608 272 F HA 0.492 5.032 4.527 0.022 0.000 0.309 272 F C 1.073 176.785 175.800 -0.146 0.000 1.103 272 F CA -0.576 57.297 58.000 -0.212 0.000 0.954 272 F CB 2.587 41.406 39.000 -0.303 0.000 1.267 272 F HN 0.597 nan 8.300 nan 0.000 0.444 273 G N 1.011 109.876 108.800 0.109 0.000 2.623 273 G HA2 0.124 4.098 3.960 0.023 0.000 0.214 273 G HA3 0.124 4.098 3.960 0.023 0.000 0.214 273 G C 1.204 176.175 174.900 0.120 0.000 1.138 273 G CA 0.872 46.094 45.100 0.203 0.000 0.794 273 G HN 0.803 nan 8.290 nan 0.000 0.535 274 I N -1.084 119.477 120.570 -0.016 0.000 4.713 274 I HA -0.323 3.860 4.170 0.023 0.000 0.044 274 I C 0.546 176.539 176.117 -0.207 0.000 0.627 274 I CA 1.530 62.694 61.300 -0.227 0.000 0.714 274 I CB -1.225 36.534 38.000 -0.402 0.000 0.668 274 I HN 0.258 nan 8.210 nan 0.000 0.156 275 H N 2.243 121.329 119.070 0.027 0.000 2.771 275 H HA 0.215 4.784 4.556 0.022 0.000 0.364 275 H C 0.073 175.342 175.328 -0.098 0.000 1.133 275 H CA 0.586 56.557 56.048 -0.127 0.000 1.423 275 H CB 0.289 29.805 29.762 -0.409 0.000 1.425 275 H HN 0.205 nan 8.280 nan 0.000 0.606 276 T N 3.857 118.381 114.554 -0.050 0.000 2.761 276 T HA 0.246 4.609 4.350 0.023 0.000 0.296 276 T C 0.247 174.889 174.700 -0.096 0.000 0.934 276 T CA -0.039 62.023 62.100 -0.063 0.000 1.091 276 T CB -0.171 68.603 68.868 -0.156 0.000 0.896 276 T HN 0.236 nan 8.240 nan 0.000 0.515 277 F N 1.473 121.394 119.950 -0.048 0.000 2.629 277 F HA 0.662 5.202 4.527 0.022 0.000 0.386 277 F C 1.053 176.828 175.800 -0.042 0.000 1.135 277 F CA -1.300 56.702 58.000 0.003 0.000 1.116 277 F CB 1.329 40.329 39.000 -0.000 0.000 1.426 277 F HN 0.187 nan 8.300 nan 0.000 0.501 278 R N 0.506 121.088 120.500 0.137 0.000 2.740 278 R HA 0.649 5.003 4.340 0.023 0.000 0.282 278 R C -1.667 174.535 176.300 -0.163 0.000 0.969 278 R CA -0.898 55.149 56.100 -0.089 0.000 0.918 278 R CB 1.992 32.173 30.300 -0.199 0.000 1.175 278 R HN 0.427 nan 8.270 nan 0.000 0.464 279 L N 3.463 124.536 121.223 -0.249 0.000 2.309 279 L HA 0.530 4.884 4.340 0.023 0.000 0.282 279 L C -0.488 176.233 176.870 -0.249 0.000 1.036 279 L CA -0.916 53.781 54.840 -0.238 0.000 0.806 279 L CB 1.304 43.222 42.059 -0.236 0.000 1.220 279 L HN 0.352 nan 8.230 nan 0.000 0.429 280 I N 2.871 123.317 120.570 -0.207 0.000 2.418 280 I HA 0.286 4.470 4.170 0.023 0.000 0.287 280 I C -0.248 175.784 176.117 -0.142 0.000 1.008 280 I CA -0.691 60.488 61.300 -0.201 0.000 1.104 280 I CB 1.415 39.303 38.000 -0.185 0.000 1.264 280 I HN 0.632 nan 8.210 nan 0.000 0.438 281 N N 4.857 123.483 118.700 -0.122 0.000 2.448 281 N HA 0.400 5.154 4.740 0.023 0.000 0.274 281 N C 0.828 176.297 175.510 -0.069 0.000 1.239 281 N CA -0.397 52.601 53.050 -0.086 0.000 0.982 281 N CB 0.585 39.029 38.487 -0.071 0.000 1.199 281 N HN 0.521 nan 8.380 nan 0.000 0.576 282 A N -0.299 122.489 122.820 -0.052 0.000 1.972 282 A HA -0.153 4.181 4.320 0.023 0.000 0.219 282 A C 1.499 179.061 177.584 -0.035 0.000 1.169 282 A CA 1.468 53.480 52.037 -0.041 0.000 0.635 282 A CB -0.849 18.133 19.000 -0.031 0.000 0.810 282 A HN 0.786 nan 8.150 nan 0.000 0.446 283 E N -1.295 118.885 120.200 -0.033 0.000 2.478 283 E HA 0.265 4.629 4.350 0.023 0.000 0.198 283 E C 1.290 177.878 176.600 -0.019 0.000 1.046 283 E CA 0.770 57.155 56.400 -0.025 0.000 0.870 283 E CB -0.250 29.436 29.700 -0.023 0.000 0.818 283 E HN 0.790 nan 8.360 nan 0.000 0.527 284 G N 0.945 109.730 108.800 -0.025 0.000 2.175 284 G HA2 -0.355 3.618 3.960 0.023 0.000 0.244 284 G HA3 -0.355 3.618 3.960 0.023 0.000 0.244 284 G C 0.246 175.158 174.900 0.019 0.000 0.982 284 G CA 0.163 45.266 45.100 0.005 0.000 0.641 284 G HN 0.278 nan 8.290 nan 0.000 0.527 285 K N 0.897 121.271 120.400 -0.044 0.000 2.322 285 K HA 0.644 4.978 4.320 0.023 0.000 0.283 285 K C 0.542 176.996 176.600 -0.243 0.000 1.042 285 K CA 0.220 56.451 56.287 -0.093 0.000 0.958 285 K CB 0.549 32.998 32.500 -0.084 0.000 0.984 285 K HN 0.576 nan 8.250 nan 0.000 0.473 286 A N 3.502 126.060 122.820 -0.436 0.000 2.290 286 A HA 0.396 4.729 4.320 0.023 0.000 0.310 286 A C -0.753 176.505 177.584 -0.543 0.000 1.202 286 A CA -0.508 51.107 52.037 -0.704 0.000 0.837 286 A CB 1.075 19.212 19.000 -1.439 0.000 1.139 286 A HN 0.722 nan 8.150 nan 0.000 0.509 287 T N 2.572 116.854 114.554 -0.454 0.000 2.824 287 T HA 0.534 4.897 4.350 0.023 0.000 0.282 287 T C -0.609 173.879 174.700 -0.353 0.000 0.993 287 T CA -0.084 61.805 62.100 -0.351 0.000 0.967 287 T CB 0.414 69.165 68.868 -0.195 0.000 0.960 287 T HN 0.339 nan 8.240 nan 0.000 0.441 288 F N 2.156 122.015 119.950 -0.152 0.000 2.471 288 F HA 0.520 5.061 4.527 0.022 0.000 0.353 288 F C 0.552 176.238 175.800 -0.190 0.000 1.113 288 F CA -0.469 57.438 58.000 -0.154 0.000 1.262 288 F CB 0.679 39.611 39.000 -0.114 0.000 1.146 288 F HN 0.183 nan 8.300 nan 0.000 0.578 289 V N 4.815 124.693 119.914 -0.059 0.000 2.888 289 V HA 0.589 4.722 4.120 0.023 0.000 0.309 289 V C -1.019 174.855 176.094 -0.366 0.000 1.114 289 V CA -0.779 61.336 62.300 -0.308 0.000 0.940 289 V CB 2.122 33.531 31.823 -0.690 0.000 1.021 289 V HN 0.756 nan 8.190 nan 0.000 0.426 290 R N 4.899 125.233 120.500 -0.276 0.000 2.494 290 R HA 0.529 4.882 4.340 0.023 0.000 0.305 290 R C -1.588 174.634 176.300 -0.131 0.000 0.959 290 R CA -0.467 55.523 56.100 -0.184 0.000 0.864 290 R CB 1.939 32.246 30.300 0.012 0.000 1.159 290 R HN 0.587 nan 8.270 nan 0.000 0.446 291 F N 2.520 122.517 119.950 0.078 0.000 2.396 291 F HA 0.318 4.859 4.527 0.023 0.000 0.343 291 F C 1.063 176.815 175.800 -0.080 0.000 1.104 291 F CA 0.072 58.082 58.000 0.016 0.000 1.161 291 F CB 0.718 39.624 39.000 -0.156 0.000 1.146 291 F HN 0.209 nan 8.300 nan 0.000 0.522 292 H N 1.132 120.207 119.070 0.009 0.000 2.768 292 H HA 0.261 4.831 4.556 0.023 0.000 0.371 292 H C -1.538 173.581 175.328 -0.348 0.000 1.151 292 H CA -0.989 54.954 56.048 -0.174 0.000 1.165 292 H CB 1.984 31.730 29.762 -0.026 0.000 1.722 292 H HN 0.673 nan 8.280 nan 0.000 0.543 293 W N 2.337 123.540 121.300 -0.160 0.000 2.538 293 W HA 0.309 4.982 4.660 0.022 0.000 0.322 293 W C -0.185 176.366 176.519 0.054 0.000 1.028 293 W CA -0.762 56.541 57.345 -0.070 0.000 1.228 293 W CB 1.763 31.047 29.460 -0.293 0.000 1.356 293 W HN 0.293 nan 8.180 nan 0.000 0.452 294 K N 5.771 126.447 120.400 0.460 0.000 2.235 294 K HA 0.411 4.744 4.320 0.023 0.000 0.266 294 K C -2.414 174.421 176.600 0.391 0.000 0.980 294 K CA -1.898 54.593 56.287 0.340 0.000 0.849 294 K CB 1.484 34.132 32.500 0.246 0.000 1.098 294 K HN 0.037 nan 8.250 nan 0.000 0.445 295 P HA 0.040 nan 4.420 nan 0.000 0.276 295 P C 0.381 177.694 177.300 0.020 0.000 1.253 295 P CA -0.062 63.121 63.100 0.138 0.000 0.766 295 P CB 0.748 32.539 31.700 0.152 0.000 0.845 296 L N 2.701 123.871 121.223 -0.088 0.000 2.376 296 L HA -0.068 4.285 4.340 0.023 0.000 0.219 296 L C 2.113 178.959 176.870 -0.041 0.000 1.133 296 L CA 1.088 55.911 54.840 -0.029 0.000 0.816 296 L CB -0.532 41.517 42.059 -0.017 0.000 0.933 296 L HN 0.354 nan 8.230 nan 0.000 0.449 297 A N -0.084 122.687 122.820 -0.083 0.000 2.251 297 A HA 0.434 4.768 4.320 0.023 0.000 0.209 297 A C 1.216 178.793 177.584 -0.013 0.000 1.187 297 A CA 0.609 52.614 52.037 -0.053 0.000 0.823 297 A CB -0.297 18.654 19.000 -0.081 0.000 0.846 297 A HN 0.443 nan 8.150 nan 0.000 0.486 298 G N -0.490 108.317 108.800 0.012 0.000 2.756 298 G HA2 -0.131 3.842 3.960 0.023 0.000 0.678 298 G HA3 -0.131 3.842 3.960 0.023 0.000 0.678 298 G C -0.656 174.269 174.900 0.042 0.000 1.349 298 G CA -0.481 44.644 45.100 0.042 0.000 0.847 298 G HN 0.450 nan 8.290 nan 0.000 0.548 299 K N 0.184 120.613 120.400 0.049 0.000 2.183 299 K HA 0.708 5.041 4.320 0.023 0.000 0.274 299 K C 0.183 176.771 176.600 -0.020 0.000 1.009 299 K CA 0.220 56.520 56.287 0.022 0.000 0.888 299 K CB 1.745 34.248 32.500 0.004 0.000 1.078 299 K HN 1.446 nan 8.250 nan 0.000 0.459 300 A N 1.835 124.637 122.820 -0.029 0.000 2.540 300 A HA 0.592 4.925 4.320 0.023 0.000 0.297 300 A C -1.129 176.514 177.584 0.099 0.000 1.056 300 A CA -0.669 51.313 52.037 -0.091 0.000 0.700 300 A CB 1.696 20.453 19.000 -0.405 0.000 1.280 300 A HN 0.512 nan 8.150 nan 0.000 0.398 301 S N 0.586 116.510 115.700 0.373 0.000 2.632 301 S HA 0.756 5.239 4.470 0.023 0.000 0.289 301 S C -0.102 174.833 174.600 0.558 0.000 1.115 301 S CA -0.611 57.843 58.200 0.423 0.000 0.889 301 S CB 1.227 64.660 63.200 0.388 0.000 1.116 301 S HN 0.655 nan 8.310 nan 0.000 0.486 302 L N 1.244 122.682 121.223 0.359 0.000 2.543 302 L HA 0.582 4.935 4.340 0.023 0.000 0.231 302 L C -0.089 176.909 176.870 0.212 0.000 1.194 302 L CA -0.786 54.185 54.840 0.219 0.000 0.823 302 L CB 0.175 42.280 42.059 0.076 0.000 1.374 302 L HN 0.492 nan 8.230 nan 0.000 0.507 303 V N -3.314 116.619 119.914 0.031 0.000 2.715 303 V HA 0.190 4.323 4.120 0.023 0.000 0.310 303 V C 0.630 176.672 176.094 -0.086 0.000 1.054 303 V CA -0.863 61.432 62.300 -0.008 0.000 0.928 303 V CB 1.637 33.431 31.823 -0.048 0.000 1.007 303 V HN 0.940 nan 8.190 nan 0.000 0.437 304 W N 2.368 123.540 121.300 -0.213 0.000 2.317 304 W HA -0.259 4.414 4.660 0.022 0.000 0.318 304 W C 1.767 178.127 176.519 -0.264 0.000 1.227 304 W CA 2.685 59.898 57.345 -0.220 0.000 1.269 304 W CB -0.132 29.183 29.460 -0.243 0.000 1.155 304 W HN 1.004 nan 8.180 nan 0.000 0.484 305 D N 0.172 120.291 120.400 -0.469 0.000 2.133 305 D HA -0.301 4.353 4.640 0.023 0.000 0.195 305 D C 2.147 178.081 176.300 -0.610 0.000 0.997 305 D CA 2.244 55.929 54.000 -0.526 0.000 0.840 305 D CB -0.510 40.234 40.800 -0.093 0.000 0.947 305 D HN 0.415 nan 8.370 nan 0.000 0.452 306 E N -0.416 119.283 120.200 -0.835 0.000 2.028 306 E HA -0.197 4.167 4.350 0.023 0.000 0.191 306 E C 2.057 178.315 176.600 -0.570 0.000 0.988 306 E CA 1.042 56.915 56.400 -0.879 0.000 0.799 306 E CB -0.247 28.828 29.700 -1.043 0.000 0.755 306 E HN 0.299 nan 8.360 nan 0.000 0.447 307 A N 1.262 123.771 122.820 -0.518 0.000 1.865 307 A HA -0.287 4.046 4.320 0.023 0.000 0.217 307 A C 2.208 179.457 177.584 -0.557 0.000 1.191 307 A CA 1.951 53.732 52.037 -0.426 0.000 0.623 307 A CB -0.839 18.021 19.000 -0.233 0.000 0.826 307 A HN 0.460 nan 8.150 nan 0.000 0.444 308 Q N -0.663 118.572 119.800 -0.941 0.000 2.061 308 Q HA -0.239 4.114 4.340 0.023 0.000 0.204 308 Q C 2.170 177.880 176.000 -0.483 0.000 0.984 308 Q CA 2.115 57.381 55.803 -0.895 0.000 0.846 308 Q CB -0.138 27.781 28.738 -1.365 0.000 0.902 308 Q HN 0.661 nan 8.270 nan 0.000 0.421 309 K N -0.198 119.943 120.400 -0.432 0.000 2.148 309 K HA -0.144 4.189 4.320 0.023 0.000 0.204 309 K C 1.972 178.429 176.600 -0.238 0.000 1.050 309 K CA 0.696 56.826 56.287 -0.261 0.000 0.942 309 K CB -0.084 32.305 32.500 -0.185 0.000 0.724 309 K HN 0.142 nan 8.250 nan 0.000 0.446 310 L N 1.119 122.158 121.223 -0.306 0.000 2.141 310 L HA -0.130 4.223 4.340 0.023 0.000 0.209 310 L C 2.115 178.847 176.870 -0.230 0.000 1.094 310 L CA 2.197 56.853 54.840 -0.306 0.000 0.763 310 L CB -0.961 40.833 42.059 -0.442 0.000 0.908 310 L HN 0.404 nan 8.230 nan 0.000 0.437 311 T N -4.276 110.146 114.554 -0.219 0.000 2.881 311 T HA -0.082 4.282 4.350 0.023 0.000 0.270 311 T C 1.869 176.504 174.700 -0.108 0.000 1.068 311 T CA 1.026 63.039 62.100 -0.144 0.000 1.131 311 T CB -1.003 67.793 68.868 -0.121 0.000 0.871 311 T HN 0.373 nan 8.240 nan 0.000 0.479 312 G N 1.279 110.007 108.800 -0.119 0.000 2.417 312 G HA2 -0.021 3.952 3.960 0.023 0.000 0.212 312 G HA3 -0.021 3.952 3.960 0.023 0.000 0.212 312 G C 1.907 176.763 174.900 -0.074 0.000 1.187 312 G CA -0.196 44.852 45.100 -0.086 0.000 0.804 312 G HN 0.320 nan 8.290 nan 0.000 0.534 313 R N 0.313 120.760 120.500 -0.089 0.000 2.115 313 R HA 0.035 4.388 4.340 0.023 0.000 0.226 313 R C -0.139 176.134 176.300 -0.046 0.000 1.100 313 R CA 0.853 56.914 56.100 -0.066 0.000 0.980 313 R CB -0.223 30.030 30.300 -0.079 0.000 0.875 313 R HN 0.353 nan 8.270 nan 0.000 0.445 314 D N -0.548 119.818 120.400 -0.056 0.000 2.411 314 D HA 0.132 4.786 4.640 0.023 0.000 0.239 314 D C -2.094 174.206 176.300 -0.001 0.000 1.307 314 D CA -1.705 52.295 54.000 -0.000 0.000 0.930 314 D CB 1.360 42.205 40.800 0.075 0.000 1.395 314 D HN -0.147 nan 8.370 nan 0.000 0.536 315 P HA -0.012 nan 4.420 nan 0.000 0.225 315 P C -0.008 177.296 177.300 0.007 0.000 1.148 315 P CA 0.716 63.804 63.100 -0.020 0.000 0.779 315 P CB 0.501 32.187 31.700 -0.024 0.000 0.780 316 D N -1.389 119.027 120.400 0.027 0.000 2.525 316 D HA 0.084 4.737 4.640 0.023 0.000 0.229 316 D C 1.166 177.504 176.300 0.063 0.000 1.202 316 D CA -0.495 53.527 54.000 0.036 0.000 0.828 316 D CB -0.561 40.238 40.800 -0.001 0.000 1.008 316 D HN 0.115 nan 8.370 nan 0.000 0.493 317 F N 1.272 121.168 119.950 -0.089 0.000 2.095 317 F HA -0.246 4.294 4.527 0.022 0.000 0.298 317 F C 2.080 177.868 175.800 -0.019 0.000 1.104 317 F CA 1.885 59.832 58.000 -0.088 0.000 1.232 317 F CB 0.087 38.983 39.000 -0.174 0.000 0.987 317 F HN 0.121 nan 8.300 nan 0.000 0.475 318 H N -1.219 117.760 119.070 -0.151 0.000 2.363 318 H HA -0.086 4.483 4.556 0.022 0.000 0.301 318 H C 2.388 177.610 175.328 -0.178 0.000 1.074 318 H CA 0.881 56.705 56.048 -0.372 0.000 1.354 318 H CB -0.116 29.270 29.762 -0.626 0.000 1.397 318 H HN 0.177 nan 8.280 nan 0.000 0.516 319 R N 1.310 121.902 120.500 0.153 0.000 2.083 319 R HA -0.148 4.206 4.340 0.023 0.000 0.237 319 R C 2.466 178.866 176.300 0.167 0.000 1.137 319 R CA 1.468 57.709 56.100 0.235 0.000 0.951 319 R CB -0.064 30.359 30.300 0.205 0.000 0.851 319 R HN 0.190 nan 8.270 nan 0.000 0.434 320 R N 0.387 120.911 120.500 0.040 0.000 2.073 320 R HA -0.165 4.188 4.340 0.023 0.000 0.234 320 R C 2.214 178.513 176.300 -0.002 0.000 1.134 320 R CA 1.805 57.911 56.100 0.010 0.000 0.952 320 R CB -0.315 29.955 30.300 -0.051 0.000 0.850 320 R HN 0.292 nan 8.270 nan 0.000 0.433 321 E N 0.701 120.787 120.200 -0.189 0.000 2.058 321 E HA -0.228 4.135 4.350 0.023 0.000 0.194 321 E C 2.022 178.592 176.600 -0.050 0.000 0.997 321 E CA 1.391 57.655 56.400 -0.227 0.000 0.801 321 E CB -0.156 29.247 29.700 -0.495 0.000 0.746 321 E HN 0.272 nan 8.360 nan 0.000 0.450 322 L N 0.860 122.096 121.223 0.021 0.000 1.994 322 L HA -0.165 4.188 4.340 0.023 0.000 0.208 322 L C 2.275 179.243 176.870 0.163 0.000 1.071 322 L CA 1.930 56.831 54.840 0.102 0.000 0.745 322 L CB -0.940 41.242 42.059 0.205 0.000 0.892 322 L HN 0.331 nan 8.230 nan 0.000 0.431 323 W N 0.908 122.242 121.300 0.057 0.000 2.355 323 W HA -0.213 4.461 4.660 0.022 0.000 0.309 323 W C 2.230 178.779 176.519 0.050 0.000 1.206 323 W CA 2.198 59.588 57.345 0.076 0.000 1.284 323 W CB -0.144 29.363 29.460 0.079 0.000 1.145 323 W HN 0.356 nan 8.180 nan 0.000 0.502 324 E N 0.010 120.390 120.200 0.300 0.000 2.150 324 E HA -0.133 4.231 4.350 0.023 0.000 0.193 324 E C 2.342 178.973 176.600 0.051 0.000 0.985 324 E CA 1.029 57.523 56.400 0.156 0.000 0.814 324 E CB -0.360 29.387 29.700 0.079 0.000 0.752 324 E HN 0.188 nan 8.360 nan 0.000 0.466 325 A N 1.456 124.303 122.820 0.046 0.000 1.877 325 A HA -0.182 4.152 4.320 0.023 0.000 0.216 325 A C 2.184 179.792 177.584 0.039 0.000 1.186 325 A CA 1.112 53.170 52.037 0.035 0.000 0.620 325 A CB -0.581 18.438 19.000 0.032 0.000 0.822 325 A HN 0.128 nan 8.150 nan 0.000 0.443 326 I N -0.437 120.175 120.570 0.069 0.000 2.226 326 I HA -0.244 3.940 4.170 0.023 0.000 0.245 326 I C 2.466 178.642 176.117 0.100 0.000 1.100 326 I CA 1.475 62.864 61.300 0.148 0.000 1.374 326 I CB -0.409 37.610 38.000 0.031 0.000 1.057 326 I HN 0.427 nan 8.210 nan 0.000 0.413 327 E N 0.744 120.952 120.200 0.012 0.000 2.204 327 E HA -0.186 4.178 4.350 0.023 0.000 0.195 327 E C 2.190 178.802 176.600 0.020 0.000 0.990 327 E CA 1.209 57.629 56.400 0.033 0.000 0.821 327 E CB -0.078 29.674 29.700 0.086 0.000 0.750 327 E HN 0.516 nan 8.360 nan 0.000 0.477 328 A N 0.041 122.851 122.820 -0.016 0.000 2.123 328 A HA 0.189 4.523 4.320 0.023 0.000 0.214 328 A C 1.819 179.341 177.584 -0.103 0.000 1.152 328 A CA 1.074 53.083 52.037 -0.046 0.000 0.728 328 A CB -0.009 18.958 19.000 -0.055 0.000 0.814 328 A HN 0.342 nan 8.150 nan 0.000 0.464 329 G N -0.641 108.022 108.800 -0.229 0.000 2.159 329 G HA2 -0.172 3.802 3.960 0.023 0.000 0.227 329 G HA3 -0.172 3.802 3.960 0.023 0.000 0.227 329 G C -0.240 174.163 174.900 -0.829 0.000 0.986 329 G CA 0.201 44.881 45.100 -0.699 0.000 0.651 329 G HN 0.401 nan 8.290 nan 0.000 0.523 330 D N 1.152 121.334 120.400 -0.364 0.000 2.934 330 D HA 0.255 4.908 4.640 0.023 0.000 0.237 330 D C 0.830 177.067 176.300 -0.105 0.000 1.158 330 D CA -0.158 53.723 54.000 -0.198 0.000 0.971 330 D CB -0.764 40.022 40.800 -0.023 0.000 1.123 330 D HN 0.460 nan 8.370 nan 0.000 0.467 331 F N 1.338 121.284 119.950 -0.006 0.000 2.612 331 F HA 0.048 4.588 4.527 0.023 0.000 0.389 331 F C -1.388 174.373 175.800 -0.065 0.000 1.055 331 F CA -1.824 56.162 58.000 -0.023 0.000 1.232 331 F CB -0.134 38.862 39.000 -0.006 0.000 1.044 331 F HN -0.093 nan 8.300 nan 0.000 0.560 332 P HA 0.032 nan 4.420 nan 0.000 0.262 332 P C -1.098 176.116 177.300 -0.144 0.000 1.199 332 P CA 0.344 63.405 63.100 -0.065 0.000 0.763 332 P CB 0.450 32.186 31.700 0.061 0.000 0.790 333 E N 2.530 122.516 120.200 -0.357 0.000 2.222 333 E HA 0.468 4.831 4.350 0.023 0.000 0.267 333 E C -1.035 175.264 176.600 -0.501 0.000 0.884 333 E CA -0.574 55.673 56.400 -0.254 0.000 0.764 333 E CB 1.405 31.061 29.700 -0.073 0.000 1.169 333 E HN 0.378 nan 8.360 nan 0.000 0.413 334 Y N 0.384 120.743 120.300 0.099 0.000 2.477 334 Y HA 0.256 4.820 4.550 0.023 0.000 0.347 334 Y C -0.251 175.877 175.900 0.380 0.000 0.981 334 Y CA -0.977 57.253 58.100 0.217 0.000 1.033 334 Y CB 1.999 40.539 38.460 0.134 0.000 1.245 334 Y HN 0.466 nan 8.280 nan 0.000 0.455 335 E N 2.844 123.382 120.200 0.564 0.000 2.146 335 E HA 0.365 4.728 4.350 0.023 0.000 0.282 335 E C -1.426 175.482 176.600 0.515 0.000 0.989 335 E CA -0.932 55.758 56.400 0.484 0.000 0.799 335 E CB 0.919 30.831 29.700 0.354 0.000 1.088 335 E HN 0.575 nan 8.360 nan 0.000 0.397 336 L N 4.392 125.860 121.223 0.410 0.000 2.380 336 L HA 0.504 4.858 4.340 0.023 0.000 0.273 336 L C -0.048 176.781 176.870 -0.068 0.000 1.138 336 L CA 0.644 55.438 54.840 -0.077 0.000 0.832 336 L CB 1.022 42.981 42.059 -0.167 0.000 1.124 336 L HN 0.573 nan 8.230 nan 0.000 0.454 337 G N 4.369 113.133 108.800 -0.059 0.000 2.659 337 G HA2 0.561 4.534 3.960 0.023 0.000 0.296 337 G HA3 0.561 4.534 3.960 0.023 0.000 0.296 337 G C -1.666 173.365 174.900 0.218 0.000 1.369 337 G CA -0.534 44.561 45.100 -0.008 0.000 0.937 337 G HN 0.455 nan 8.290 nan 0.000 0.485 338 F N 0.294 120.263 119.950 0.032 0.000 2.507 338 F HA 0.380 4.921 4.527 0.022 0.000 0.325 338 F C 0.362 176.157 175.800 -0.009 0.000 1.116 338 F CA -0.970 57.045 58.000 0.025 0.000 0.930 338 F CB 2.563 41.563 39.000 0.001 0.000 1.146 338 F HN 0.134 nan 8.300 nan 0.000 0.447 339 Q N 3.690 123.605 119.800 0.192 0.000 2.296 339 Q HA 0.360 4.714 4.340 0.023 0.000 0.257 339 Q C -1.199 174.843 176.000 0.071 0.000 0.942 339 Q CA -0.799 55.066 55.803 0.103 0.000 0.939 339 Q CB 1.694 30.501 28.738 0.115 0.000 1.198 339 Q HN 0.332 nan 8.270 nan 0.000 0.429 340 L N 4.435 125.708 121.223 0.083 0.000 2.313 340 L HA 0.540 4.894 4.340 0.023 0.000 0.283 340 L C -0.597 176.328 176.870 0.090 0.000 1.013 340 L CA -0.296 54.582 54.840 0.062 0.000 0.816 340 L CB 1.505 43.609 42.059 0.076 0.000 1.236 340 L HN 0.583 nan 8.230 nan 0.000 0.419 341 I N 5.372 126.010 120.570 0.114 0.000 2.478 341 I HA 0.346 4.530 4.170 0.023 0.000 0.287 341 I C -2.244 173.983 176.117 0.183 0.000 1.042 341 I CA -1.892 59.519 61.300 0.184 0.000 1.067 341 I CB 2.349 40.488 38.000 0.233 0.000 1.233 341 I HN 0.363 nan 8.210 nan 0.000 0.431 342 P HA 0.036 nan 4.420 nan 0.000 0.269 342 P C 0.633 177.985 177.300 0.086 0.000 1.209 342 P CA -0.004 63.124 63.100 0.047 0.000 0.776 342 P CB 0.860 32.584 31.700 0.040 0.000 0.876 343 E N 1.340 121.501 120.200 -0.066 0.000 2.130 343 E HA -0.281 4.083 4.350 0.023 0.000 0.196 343 E C 1.033 177.703 176.600 0.116 0.000 0.998 343 E CA 1.538 57.903 56.400 -0.059 0.000 0.806 343 E CB 0.033 29.634 29.700 -0.164 0.000 0.738 343 E HN 0.461 nan 8.360 nan 0.000 0.459 344 E N 0.569 120.817 120.200 0.079 0.000 2.333 344 E HA -0.142 4.222 4.350 0.023 0.000 0.198 344 E C 0.746 177.402 176.600 0.094 0.000 1.007 344 E CA 1.076 57.531 56.400 0.091 0.000 0.845 344 E CB 0.040 29.773 29.700 0.056 0.000 0.766 344 E HN 0.255 nan 8.360 nan 0.000 0.507 345 D N 0.094 120.551 120.400 0.095 0.000 2.342 345 D HA -0.014 4.639 4.640 0.023 0.000 0.221 345 D C 1.187 177.512 176.300 0.042 0.000 1.101 345 D CA 0.054 54.082 54.000 0.046 0.000 0.837 345 D CB 0.028 40.856 40.800 0.047 0.000 0.938 345 D HN 0.299 nan 8.370 nan 0.000 0.508 346 E N 0.014 120.212 120.200 -0.003 0.000 2.114 346 E HA -0.208 4.155 4.350 0.023 0.000 0.199 346 E C 0.448 176.726 176.600 -0.536 0.000 1.008 346 E CA 1.159 57.348 56.400 -0.351 0.000 0.810 346 E CB -0.013 29.327 29.700 -0.599 0.000 0.739 346 E HN 0.270 nan 8.360 nan 0.000 0.456 347 F N -0.303 119.659 119.950 0.020 0.000 2.639 347 F HA 0.274 4.815 4.527 0.023 0.000 0.300 347 F C 1.313 177.049 175.800 -0.106 0.000 1.109 347 F CA -0.216 57.769 58.000 -0.025 0.000 1.335 347 F CB 0.536 39.529 39.000 -0.012 0.000 1.014 347 F HN -0.181 nan 8.300 nan 0.000 0.537 348 K N 0.078 120.396 120.400 -0.137 0.000 2.444 348 K HA 0.124 4.457 4.320 0.023 0.000 0.193 348 K C -0.320 175.888 176.600 -0.654 0.000 1.024 348 K CA 0.300 56.348 56.287 -0.399 0.000 1.077 348 K CB 0.165 32.339 32.500 -0.544 0.000 0.833 348 K HN 0.145 nan 8.250 nan 0.000 0.517 349 F N -0.199 119.593 119.950 -0.263 0.000 2.541 349 F HA 0.168 4.708 4.527 0.023 0.000 0.331 349 F C 1.246 176.848 175.800 -0.330 0.000 1.057 349 F CA -1.095 56.644 58.000 -0.435 0.000 0.975 349 F CB 0.805 39.146 39.000 -1.099 0.000 1.246 349 F HN -0.214 nan 8.300 nan 0.000 0.484 350 D N 0.422 120.821 120.400 -0.002 0.000 2.219 350 D HA -0.071 4.583 4.640 0.023 0.000 0.205 350 D C 0.047 176.434 176.300 0.145 0.000 0.970 350 D CA 1.337 55.404 54.000 0.111 0.000 0.851 350 D CB -0.201 40.750 40.800 0.253 0.000 0.943 350 D HN 0.273 nan 8.370 nan 0.000 0.488 351 F N -0.657 119.376 119.950 0.137 0.000 2.541 351 F HA 0.483 5.024 4.527 0.023 0.000 0.331 351 F C 0.149 175.934 175.800 -0.025 0.000 1.057 351 F CA -1.578 56.424 58.000 0.003 0.000 0.975 351 F CB 0.712 39.671 39.000 -0.068 0.000 1.246 351 F HN -0.387 nan 8.300 nan 0.000 0.484 352 D N 1.550 121.969 120.400 0.032 0.000 2.264 352 D HA 0.183 4.837 4.640 0.023 0.000 0.250 352 D C 0.998 177.237 176.300 -0.102 0.000 1.113 352 D CA -0.108 53.852 54.000 -0.067 0.000 0.871 352 D CB 1.488 42.254 40.800 -0.057 0.000 1.167 352 D HN 0.742 nan 8.370 nan 0.000 0.447 353 L N 3.324 124.428 121.223 -0.198 0.000 2.191 353 L HA -0.137 4.217 4.340 0.023 0.000 0.212 353 L C 1.996 178.728 176.870 -0.229 0.000 1.103 353 L CA 0.731 55.424 54.840 -0.244 0.000 0.769 353 L CB -0.121 41.651 42.059 -0.478 0.000 0.908 353 L HN 0.448 nan 8.230 nan 0.000 0.438 354 L N -0.979 120.133 121.223 -0.186 0.000 2.591 354 L HA 0.059 4.412 4.340 0.023 0.000 0.228 354 L C 0.448 177.242 176.870 -0.126 0.000 1.133 354 L CA -0.152 54.645 54.840 -0.071 0.000 0.880 354 L CB -0.316 41.804 42.059 0.101 0.000 1.033 354 L HN 0.107 nan 8.230 nan 0.000 0.450 355 D N 1.919 122.009 120.400 -0.517 0.000 2.316 355 D HA 0.110 4.763 4.640 0.023 0.000 0.245 355 D C -1.568 174.512 176.300 -0.367 0.000 1.171 355 D CA -2.318 51.143 54.000 -0.899 0.000 0.856 355 D CB 1.591 41.572 40.800 -1.364 0.000 1.090 355 D HN -0.077 nan 8.370 nan 0.000 0.476 356 P HA -0.039 nan 4.420 nan 0.000 0.245 356 P C 0.788 177.992 177.300 -0.161 0.000 1.212 356 P CA 0.572 63.601 63.100 -0.118 0.000 0.774 356 P CB -0.008 31.707 31.700 0.025 0.000 0.999 357 T N -4.361 110.087 114.554 -0.176 0.000 3.107 357 T HA 0.155 4.518 4.350 0.023 0.000 0.249 357 T C 0.728 175.327 174.700 -0.168 0.000 1.096 357 T CA -0.093 61.915 62.100 -0.153 0.000 1.012 357 T CB -0.156 68.668 68.868 -0.073 0.000 0.977 357 T HN -0.119 nan 8.240 nan 0.000 0.527 358 K N 2.172 122.371 120.400 -0.334 0.000 2.244 358 K HA 0.560 4.894 4.320 0.023 0.000 0.260 358 K C -0.368 176.009 176.600 -0.372 0.000 0.951 358 K CA -0.830 55.099 56.287 -0.597 0.000 0.826 358 K CB 2.239 34.255 32.500 -0.807 0.000 1.108 358 K HN 0.277 nan 8.250 nan 0.000 0.433 359 L N -0.269 120.877 121.223 -0.128 0.000 2.387 359 L HA 0.634 4.987 4.340 0.023 0.000 0.266 359 L C 0.030 176.716 176.870 -0.306 0.000 1.059 359 L CA -0.454 54.292 54.840 -0.156 0.000 0.801 359 L CB 0.252 42.305 42.059 -0.010 0.000 1.223 359 L HN 0.446 nan 8.230 nan 0.000 0.456 360 I N 1.547 122.033 120.570 -0.140 0.000 2.306 360 I HA 0.350 4.533 4.170 0.023 0.000 0.288 360 I C -2.117 174.029 176.117 0.048 0.000 1.036 360 I CA -1.726 59.545 61.300 -0.047 0.000 1.221 360 I CB 1.097 39.094 38.000 -0.005 0.000 1.385 360 I HN 0.449 nan 8.210 nan 0.000 0.472 361 P HA 0.014 nan 4.420 nan 0.000 0.264 361 P C 0.320 177.695 177.300 0.125 0.000 1.193 361 P CA 0.162 63.319 63.100 0.095 0.000 0.763 361 P CB 0.548 32.299 31.700 0.084 0.000 0.810 362 E N 1.955 122.233 120.200 0.130 0.000 2.265 362 E HA -0.191 4.172 4.350 0.023 0.000 0.196 362 E C 1.360 178.017 176.600 0.095 0.000 0.996 362 E CA 0.756 57.219 56.400 0.105 0.000 0.832 362 E CB -0.011 29.749 29.700 0.100 0.000 0.756 362 E HN 0.517 nan 8.360 nan 0.000 0.491 363 E N 0.415 120.673 120.200 0.097 0.000 2.204 363 E HA -0.138 4.226 4.350 0.023 0.000 0.195 363 E C 2.065 178.732 176.600 0.111 0.000 0.990 363 E CA 0.726 57.179 56.400 0.088 0.000 0.821 363 E CB 0.073 29.818 29.700 0.075 0.000 0.750 363 E HN 0.378 nan 8.360 nan 0.000 0.477 364 L N -0.293 121.021 121.223 0.152 0.000 2.145 364 L HA 0.042 4.396 4.340 0.023 0.000 0.201 364 L C 0.709 177.701 176.870 0.205 0.000 1.075 364 L CA 0.528 55.496 54.840 0.213 0.000 0.773 364 L CB 0.324 42.589 42.059 0.342 0.000 0.936 364 L HN -0.192 nan 8.230 nan 0.000 0.451 365 V N 1.436 121.451 119.914 0.169 0.000 2.398 365 V HA 0.306 4.439 4.120 0.023 0.000 0.282 365 V C -2.351 173.794 176.094 0.086 0.000 1.014 365 V CA -1.476 60.907 62.300 0.139 0.000 0.838 365 V CB 1.392 33.297 31.823 0.136 0.000 1.018 365 V HN -0.022 nan 8.190 nan 0.000 0.432 366 P HA 0.156 nan 4.420 nan 0.000 0.272 366 P C -0.305 176.996 177.300 0.002 0.000 1.230 366 P CA 0.013 63.135 63.100 0.036 0.000 0.788 366 P CB 1.104 32.829 31.700 0.042 0.000 0.949 367 V N 3.355 123.238 119.914 -0.052 0.000 2.408 367 V HA 0.089 4.223 4.120 0.023 0.000 0.267 367 V C 0.764 176.850 176.094 -0.013 0.000 1.047 367 V CA 0.012 62.249 62.300 -0.104 0.000 0.937 367 V CB -0.014 31.660 31.823 -0.250 0.000 0.999 367 V HN 0.461 nan 8.190 nan 0.000 0.472 368 Q N 4.910 124.725 119.800 0.025 0.000 2.274 368 Q HA 0.426 4.779 4.340 0.023 0.000 0.256 368 Q C -0.273 175.730 176.000 0.004 0.000 0.927 368 Q CA -0.555 55.266 55.803 0.029 0.000 0.939 368 Q CB 1.546 30.314 28.738 0.050 0.000 1.201 368 Q HN 0.610 nan 8.270 nan 0.000 0.426 369 R N 1.452 121.978 120.500 0.043 0.000 2.449 369 R HA 0.048 4.401 4.340 0.023 0.000 0.296 369 R C 0.337 176.688 176.300 0.085 0.000 1.047 369 R CA -0.111 56.057 56.100 0.114 0.000 1.018 369 R CB 0.466 30.890 30.300 0.207 0.000 0.962 369 R HN 0.449 nan 8.270 nan 0.000 0.428 370 V N 1.465 121.336 119.914 -0.071 0.000 3.013 370 V HA 0.308 4.441 4.120 0.023 0.000 0.238 370 V C 0.858 176.718 176.094 -0.391 0.000 1.161 370 V CA 1.131 63.265 62.300 -0.276 0.000 1.170 370 V CB 0.858 32.255 31.823 -0.711 0.000 0.917 370 V HN 1.015 nan 8.190 nan 0.000 0.478 371 G N -0.414 108.061 108.800 -0.541 0.000 2.441 371 G HA2 0.477 4.450 3.960 0.023 0.000 0.294 371 G HA3 0.477 4.450 3.960 0.023 0.000 0.294 371 G C -1.837 172.748 174.900 -0.526 0.000 1.393 371 G CA -0.577 43.910 45.100 -1.023 0.000 0.796 371 G HN 0.039 nan 8.290 nan 0.000 0.494 372 K N -0.280 119.809 120.400 -0.519 0.000 2.259 372 K HA 0.733 5.066 4.320 0.023 0.000 0.252 372 K C -0.796 175.854 176.600 0.083 0.000 0.936 372 K CA -0.793 55.484 56.287 -0.016 0.000 0.810 372 K CB 1.929 34.464 32.500 0.058 0.000 1.143 372 K HN 0.554 nan 8.250 nan 0.000 0.427 373 M N 4.739 124.507 119.600 0.281 0.000 2.243 373 M HA 0.367 4.860 4.480 0.023 0.000 0.324 373 M C -1.741 174.537 176.300 -0.037 0.000 1.031 373 M CA -0.798 54.608 55.300 0.175 0.000 0.949 373 M CB 1.634 34.354 32.600 0.200 0.000 1.615 373 M HN 0.331 nan 8.290 nan 0.000 0.430 374 V N 5.805 125.530 119.914 -0.316 0.000 2.409 374 V HA 0.431 4.565 4.120 0.023 0.000 0.291 374 V C -0.845 175.100 176.094 -0.248 0.000 1.020 374 V CA -0.838 61.281 62.300 -0.302 0.000 0.848 374 V CB 1.630 33.145 31.823 -0.513 0.000 0.990 374 V HN 0.662 nan 8.190 nan 0.000 0.430 375 L N 5.995 127.163 121.223 -0.092 0.000 2.255 375 L HA 0.478 4.832 4.340 0.023 0.000 0.289 375 L C 0.706 177.475 176.870 -0.168 0.000 1.046 375 L CA 0.186 54.978 54.840 -0.080 0.000 0.816 375 L CB 0.900 42.972 42.059 0.021 0.000 1.197 375 L HN 0.878 nan 8.230 nan 0.000 0.427 376 N N 2.441 120.952 118.700 -0.314 0.000 2.194 376 N HA 0.161 4.914 4.740 0.023 0.000 0.231 376 N C -0.007 175.312 175.510 -0.320 0.000 1.247 376 N CA -0.280 52.331 53.050 -0.732 0.000 0.884 376 N CB 0.711 38.416 38.487 -1.304 0.000 1.146 376 N HN 0.397 nan 8.380 nan 0.000 0.516 377 R N 0.234 120.657 120.500 -0.128 0.000 2.536 377 R HA 0.292 4.645 4.340 0.023 0.000 0.269 377 R C -1.312 174.946 176.300 -0.070 0.000 1.113 377 R CA -0.549 55.498 56.100 -0.089 0.000 0.948 377 R CB 1.259 31.513 30.300 -0.076 0.000 1.237 377 R HN 0.068 nan 8.270 nan 0.000 0.441 378 N N 3.205 121.740 118.700 -0.275 0.000 2.467 378 N HA 0.278 5.031 4.740 0.023 0.000 0.262 378 N C -2.291 173.170 175.510 -0.082 0.000 1.234 378 N CA -1.265 51.490 53.050 -0.492 0.000 0.952 378 N CB 0.551 38.043 38.487 -1.659 0.000 1.158 378 N HN 0.297 nan 8.380 nan 0.000 0.463 379 P HA 0.052 nan 4.420 nan 0.000 0.272 379 P C 0.230 177.724 177.300 0.323 0.000 1.248 379 P CA 0.000 63.310 63.100 0.349 0.000 0.799 379 P CB 0.905 32.853 31.700 0.414 0.000 0.997 380 D N -1.249 119.313 120.400 0.270 0.000 2.259 380 D HA -0.007 4.647 4.640 0.023 0.000 0.216 380 D C 0.382 176.855 176.300 0.287 0.000 0.961 380 D CA 1.247 55.395 54.000 0.247 0.000 0.878 380 D CB 0.191 41.075 40.800 0.140 0.000 1.009 380 D HN 0.369 nan 8.370 nan 0.000 0.490 381 N N -0.108 118.754 118.700 0.269 0.000 2.461 381 N HA 0.017 4.771 4.740 0.023 0.000 0.284 381 N C 0.034 175.743 175.510 0.331 0.000 1.049 381 N CA -0.322 52.896 53.050 0.280 0.000 0.889 381 N CB 1.537 40.155 38.487 0.217 0.000 1.365 381 N HN -0.163 nan 8.380 nan 0.000 0.499 382 F N 4.243 124.337 119.950 0.240 0.000 2.095 382 F HA -0.178 4.362 4.527 0.021 0.000 0.298 382 F C 1.650 177.576 175.800 0.210 0.000 1.104 382 F CA 1.537 59.679 58.000 0.237 0.000 1.232 382 F CB -0.089 39.022 39.000 0.186 0.000 0.987 382 F HN 0.607 nan 8.300 nan 0.000 0.475 383 F N 0.724 120.897 119.950 0.372 0.000 2.075 383 F HA -0.149 4.392 4.527 0.023 0.000 0.297 383 F C 2.376 178.227 175.800 0.085 0.000 1.113 383 F CA 1.829 59.969 58.000 0.235 0.000 1.218 383 F CB -0.962 38.152 39.000 0.190 0.000 0.984 383 F HN -0.005 nan 8.300 nan 0.000 0.472 384 A N -0.234 122.725 122.820 0.231 0.000 1.908 384 A HA -0.208 4.125 4.320 0.023 0.000 0.218 384 A C 2.073 179.591 177.584 -0.111 0.000 1.181 384 A CA 2.183 54.261 52.037 0.068 0.000 0.627 384 A CB -0.757 18.327 19.000 0.140 0.000 0.818 384 A HN 0.611 nan 8.150 nan 0.000 0.445 385 E N -1.476 118.666 120.200 -0.097 0.000 2.132 385 E HA -0.063 4.301 4.350 0.023 0.000 0.193 385 E C 2.012 178.496 176.600 -0.194 0.000 0.951 385 E CA 0.464 56.735 56.400 -0.216 0.000 0.843 385 E CB -0.149 29.480 29.700 -0.120 0.000 0.807 385 E HN 0.570 nan 8.360 nan 0.000 0.467 386 N N 1.407 120.003 118.700 -0.173 0.000 2.178 386 N HA -0.166 4.587 4.740 0.023 0.000 0.189 386 N C 1.840 177.164 175.510 -0.309 0.000 1.048 386 N CA 1.391 54.280 53.050 -0.268 0.000 0.855 386 N CB -0.021 37.909 38.487 -0.929 0.000 1.028 386 N HN -0.074 nan 8.380 nan 0.000 0.441 387 E N 0.760 120.711 120.200 -0.415 0.000 2.130 387 E HA -0.142 4.221 4.350 0.023 0.000 0.196 387 E C 1.630 178.020 176.600 -0.349 0.000 0.998 387 E CA 1.565 57.787 56.400 -0.296 0.000 0.806 387 E CB -0.154 29.386 29.700 -0.266 0.000 0.738 387 E HN 0.525 nan 8.360 nan 0.000 0.459 388 Q N -0.368 119.167 119.800 -0.441 0.000 2.403 388 Q HA 0.256 4.610 4.340 0.023 0.000 0.203 388 Q C -0.003 175.872 176.000 -0.208 0.000 0.932 388 Q CA 0.183 55.788 55.803 -0.330 0.000 0.945 388 Q CB 0.517 29.053 28.738 -0.338 0.000 1.045 388 Q HN 0.212 nan 8.270 nan 0.000 0.511 389 A N 1.276 123.989 122.820 -0.179 0.000 2.511 389 A HA 0.446 4.780 4.320 0.023 0.000 0.242 389 A C -0.102 177.355 177.584 -0.212 0.000 1.069 389 A CA 0.199 52.108 52.037 -0.213 0.000 0.763 389 A CB 0.220 19.188 19.000 -0.053 0.000 1.001 389 A HN 0.282 nan 8.150 nan 0.000 0.498 390 A N 2.563 125.195 122.820 -0.312 0.000 2.332 390 A HA 0.702 5.035 4.320 0.023 0.000 0.300 390 A C -0.741 176.694 177.584 -0.249 0.000 1.153 390 A CA -0.433 51.492 52.037 -0.186 0.000 0.764 390 A CB 0.329 19.243 19.000 -0.143 0.000 1.174 390 A HN 0.646 nan 8.150 nan 0.000 0.467 391 F N 1.640 121.573 119.950 -0.028 0.000 2.470 391 F HA 0.633 5.174 4.527 0.023 0.000 0.329 391 F C 0.477 176.167 175.800 -0.184 0.000 1.072 391 F CA -0.226 57.727 58.000 -0.078 0.000 0.989 391 F CB 1.724 40.654 39.000 -0.118 0.000 1.193 391 F HN 0.644 nan 8.300 nan 0.000 0.481 392 H N 3.525 122.383 119.070 -0.353 0.000 3.017 392 H HA 0.272 4.841 4.556 0.023 0.000 0.340 392 H C -2.351 172.606 175.328 -0.618 0.000 1.014 392 H CA -2.711 52.864 56.048 -0.787 0.000 1.341 392 H CB 2.696 31.754 29.762 -1.174 0.000 1.739 392 H HN 0.188 nan 8.280 nan 0.000 0.506 393 P HA -0.046 nan 4.420 nan 0.000 0.222 393 P C 1.173 178.507 177.300 0.057 0.000 1.147 393 P CA 1.275 64.323 63.100 -0.086 0.000 0.790 393 P CB 0.091 31.758 31.700 -0.054 0.000 0.780 394 G N -1.362 107.270 108.800 -0.279 0.000 2.744 394 G HA2 -0.131 3.843 3.960 0.023 0.000 0.211 394 G HA3 -0.131 3.843 3.960 0.023 0.000 0.211 394 G C 0.420 175.260 174.900 -0.100 0.000 1.143 394 G CA -0.048 44.881 45.100 -0.285 0.000 0.788 394 G HN 0.423 nan 8.290 nan 0.000 0.534 395 H N 0.777 119.728 119.070 -0.199 0.000 3.092 395 H HA 0.329 4.898 4.556 0.022 0.000 0.263 395 H C 0.487 175.852 175.328 0.062 0.000 1.611 395 H CA -0.739 55.252 56.048 -0.095 0.000 1.457 395 H CB -0.057 29.658 29.762 -0.079 0.000 1.731 395 H HN 0.369 nan 8.280 nan 0.000 0.532 396 I N -0.287 120.346 120.570 0.105 0.000 3.100 396 I HA 0.677 4.860 4.170 0.023 0.000 0.312 396 I C -0.175 175.890 176.117 -0.085 0.000 1.063 396 I CA -1.382 59.925 61.300 0.013 0.000 1.031 396 I CB 1.925 39.817 38.000 -0.179 0.000 1.243 396 I HN 0.095 nan 8.210 nan 0.000 0.483 397 V N -1.621 118.241 119.914 -0.087 0.000 3.102 397 V HA 0.666 4.799 4.120 0.023 0.000 0.312 397 V C -2.819 173.358 176.094 0.138 0.000 1.135 397 V CA -2.620 59.690 62.300 0.018 0.000 1.022 397 V CB 1.027 32.852 31.823 0.003 0.000 1.056 397 V HN 0.636 nan 8.190 nan 0.000 0.436 398 P HA 0.322 nan 4.420 nan 0.000 0.260 398 P C 0.912 178.218 177.300 0.010 0.000 1.172 398 P CA 2.018 65.201 63.100 0.138 0.000 0.760 398 P CB 0.465 32.218 31.700 0.089 0.000 0.773 399 G N 1.928 110.692 108.800 -0.059 0.000 2.231 399 G HA2 -0.148 3.825 3.960 0.023 0.000 0.206 399 G HA3 -0.148 3.825 3.960 0.023 0.000 0.206 399 G C -0.285 174.536 174.900 -0.132 0.000 0.996 399 G CA -0.487 44.553 45.100 -0.100 0.000 0.645 399 G HN 0.449 nan 8.290 nan 0.000 0.498 400 L N 0.286 121.444 121.223 -0.108 0.000 2.341 400 L HA 0.882 5.236 4.340 0.023 0.000 0.267 400 L C -0.625 176.195 176.870 -0.083 0.000 1.009 400 L CA -1.027 53.726 54.840 -0.144 0.000 0.819 400 L CB 2.106 44.003 42.059 -0.270 0.000 1.323 400 L HN 0.094 nan 8.230 nan 0.000 0.425 401 D N -0.420 119.921 120.400 -0.098 0.000 2.643 401 D HA 0.488 5.142 4.640 0.023 0.000 0.283 401 D C -1.177 175.077 176.300 -0.077 0.000 1.242 401 D CA -0.321 53.593 54.000 -0.144 0.000 0.863 401 D CB 2.123 42.910 40.800 -0.021 0.000 1.382 401 D HN 0.107 nan 8.370 nan 0.000 0.444 402 F N -0.301 119.782 119.950 0.223 0.000 2.377 402 F HA 0.537 5.077 4.527 0.023 0.000 0.335 402 F C 1.417 177.254 175.800 0.062 0.000 1.099 402 F CA -0.296 57.775 58.000 0.118 0.000 1.072 402 F CB 1.165 40.203 39.000 0.063 0.000 1.417 402 F HN 0.220 nan 8.300 nan 0.000 0.495 403 T N -3.312 111.354 114.554 0.187 0.000 2.716 403 T HA 0.310 4.674 4.350 0.023 0.000 0.286 403 T C -0.225 174.516 174.700 0.069 0.000 1.052 403 T CA -0.980 61.203 62.100 0.138 0.000 1.024 403 T CB 1.207 70.132 68.868 0.096 0.000 1.349 403 T HN 0.342 nan 8.240 nan 0.000 0.525 404 N N 1.151 119.894 118.700 0.072 0.000 2.370 404 N HA 0.082 4.835 4.740 0.023 0.000 0.198 404 N C -0.027 175.498 175.510 0.025 0.000 1.156 404 N CA 0.001 53.076 53.050 0.042 0.000 0.839 404 N CB -0.366 38.161 38.487 0.067 0.000 0.989 404 N HN 0.684 nan 8.380 nan 0.000 0.468 405 D N 2.329 122.729 120.400 -0.001 0.000 2.581 405 D HA -0.074 4.580 4.640 0.023 0.000 0.238 405 D C -1.340 174.963 176.300 0.005 0.000 1.145 405 D CA -0.891 53.133 54.000 0.040 0.000 0.866 405 D CB 1.361 42.135 40.800 -0.043 0.000 1.151 405 D HN 0.140 nan 8.370 nan 0.000 0.500 406 P HA -0.105 nan 4.420 nan 0.000 0.229 406 P C 1.529 178.849 177.300 0.033 0.000 1.160 406 P CA 0.149 63.269 63.100 0.033 0.000 0.777 406 P CB 0.419 32.132 31.700 0.021 0.000 0.814 407 L N -0.269 120.996 121.223 0.069 0.000 2.102 407 L HA 0.007 4.361 4.340 0.023 0.000 0.202 407 L C 2.381 179.188 176.870 -0.106 0.000 1.076 407 L CA 1.274 56.152 54.840 0.064 0.000 0.761 407 L CB -1.644 40.536 42.059 0.202 0.000 0.921 407 L HN -0.177 nan 8.230 nan 0.000 0.444 408 L N -0.379 120.619 121.223 -0.376 0.000 2.012 408 L HA -0.245 4.108 4.340 0.023 0.000 0.210 408 L C 2.484 179.129 176.870 -0.376 0.000 1.073 408 L CA 1.847 56.237 54.840 -0.749 0.000 0.748 408 L CB -0.986 40.401 42.059 -1.121 0.000 0.891 408 L HN 0.385 nan 8.230 nan 0.000 0.431 409 Q N -0.155 119.490 119.800 -0.257 0.000 2.096 409 Q HA -0.198 4.155 4.340 0.023 0.000 0.208 409 Q C 2.104 178.038 176.000 -0.111 0.000 0.993 409 Q CA 1.963 57.657 55.803 -0.182 0.000 0.862 409 Q CB -0.915 27.760 28.738 -0.105 0.000 0.915 409 Q HN 0.720 nan 8.270 nan 0.000 0.416 410 G N 0.370 109.134 108.800 -0.060 0.000 2.421 410 G HA2 -0.206 3.768 3.960 0.023 0.000 0.217 410 G HA3 -0.206 3.768 3.960 0.023 0.000 0.217 410 G C 1.519 176.447 174.900 0.047 0.000 1.143 410 G CA 0.204 45.312 45.100 0.013 0.000 0.784 410 G HN 0.248 nan 8.290 nan 0.000 0.541 411 R N -0.077 120.408 120.500 -0.025 0.000 2.105 411 R HA 0.019 4.372 4.340 0.023 0.000 0.239 411 R C 2.525 178.929 176.300 0.174 0.000 1.135 411 R CA 0.880 57.024 56.100 0.073 0.000 0.967 411 R CB -0.495 29.835 30.300 0.050 0.000 0.861 411 R HN 0.337 nan 8.270 nan 0.000 0.442 412 L N -0.337 120.907 121.223 0.036 0.000 2.081 412 L HA -0.236 4.118 4.340 0.023 0.000 0.212 412 L C 2.357 179.357 176.870 0.216 0.000 1.080 412 L CA 1.382 56.260 54.840 0.063 0.000 0.754 412 L CB -0.519 41.396 42.059 -0.240 0.000 0.893 412 L HN 0.173 nan 8.230 nan 0.000 0.433 413 F N 0.114 120.087 119.950 0.040 0.000 2.163 413 F HA -0.180 4.361 4.527 0.023 0.000 0.297 413 F C 2.808 178.623 175.800 0.025 0.000 1.094 413 F CA 1.560 59.584 58.000 0.042 0.000 1.290 413 F CB -0.285 38.719 39.000 0.006 0.000 1.017 413 F HN -0.067 nan 8.300 nan 0.000 0.483 414 S N -0.604 115.032 115.700 -0.106 0.000 2.356 414 S HA -0.233 4.251 4.470 0.023 0.000 0.223 414 S C 2.070 176.408 174.600 -0.436 0.000 1.032 414 S CA 1.734 59.757 58.200 -0.294 0.000 1.005 414 S CB -0.749 62.333 63.200 -0.198 0.000 0.867 414 S HN 0.554 nan 8.310 nan 0.000 0.449 415 Y N 1.519 121.471 120.300 -0.580 0.000 2.163 415 Y HA -0.094 4.469 4.550 0.023 0.000 0.288 415 Y C 3.027 178.542 175.900 -0.642 0.000 1.136 415 Y CA 1.482 59.148 58.100 -0.724 0.000 1.147 415 Y CB -1.147 36.610 38.460 -1.173 0.000 0.987 415 Y HN 0.217 nan 8.280 nan 0.000 0.509 416 T N -0.126 114.181 114.554 -0.411 0.000 2.597 416 T HA -0.311 4.052 4.350 0.023 0.000 0.267 416 T C 1.462 176.020 174.700 -0.236 0.000 1.053 416 T CA 2.025 64.037 62.100 -0.147 0.000 1.165 416 T CB -0.627 68.247 68.868 0.010 0.000 0.863 416 T HN 0.419 nan 8.240 nan 0.000 0.427 417 D N 0.018 120.188 120.400 -0.382 0.000 2.084 417 D HA -0.112 4.542 4.640 0.023 0.000 0.194 417 D C 2.325 178.476 176.300 -0.247 0.000 0.990 417 D CA 1.768 55.558 54.000 -0.351 0.000 0.826 417 D CB -0.553 39.878 40.800 -0.614 0.000 0.971 417 D HN 0.284 nan 8.370 nan 0.000 0.453 418 T N -1.064 113.321 114.554 -0.281 0.000 2.833 418 T HA -0.151 4.213 4.350 0.023 0.000 0.269 418 T C 1.832 176.402 174.700 -0.216 0.000 1.054 418 T CA 1.445 63.413 62.100 -0.219 0.000 1.135 418 T CB -0.221 68.500 68.868 -0.244 0.000 0.869 418 T HN 0.236 nan 8.240 nan 0.000 0.466 419 Q N -0.110 119.503 119.800 -0.313 0.000 2.291 419 Q HA 0.017 4.371 4.340 0.023 0.000 0.205 419 Q C 2.125 177.954 176.000 -0.286 0.000 0.970 419 Q CA 0.780 56.330 55.803 -0.423 0.000 0.876 419 Q CB -0.037 28.211 28.738 -0.817 0.000 0.935 419 Q HN 0.467 nan 8.270 nan 0.000 0.455 420 I N 0.448 120.933 120.570 -0.142 0.000 2.394 420 I HA -0.209 3.974 4.170 0.023 0.000 0.251 420 I C 2.336 178.467 176.117 0.022 0.000 1.136 420 I CA 1.547 62.859 61.300 0.020 0.000 1.425 420 I CB -1.227 36.800 38.000 0.044 0.000 1.079 420 I HN 0.213 nan 8.210 nan 0.000 0.425 421 S N 0.343 116.032 115.700 -0.018 0.000 2.427 421 S HA -0.053 4.431 4.470 0.023 0.000 0.224 421 S C 2.153 176.757 174.600 0.007 0.000 1.047 421 S CA 0.089 58.293 58.200 0.006 0.000 0.953 421 S CB -0.325 62.875 63.200 -0.001 0.000 0.824 421 S HN 0.287 nan 8.310 nan 0.000 0.502 422 R N 1.152 121.631 120.500 -0.034 0.000 2.083 422 R HA 0.094 4.447 4.340 0.023 0.000 0.237 422 R C 1.259 177.559 176.300 0.000 0.000 1.137 422 R CA 1.594 57.677 56.100 -0.028 0.000 0.951 422 R CB -0.386 29.871 30.300 -0.072 0.000 0.851 422 R HN 0.460 nan 8.270 nan 0.000 0.434 423 L N -0.121 121.097 121.223 -0.008 0.000 2.791 423 L HA 0.313 4.667 4.340 0.023 0.000 0.239 423 L C 0.818 177.781 176.870 0.155 0.000 1.203 423 L CA 0.240 55.110 54.840 0.049 0.000 1.002 423 L CB 0.834 42.912 42.059 0.032 0.000 1.295 423 L HN 0.615 nan 8.230 nan 0.000 0.504 424 G N -0.080 108.817 108.800 0.162 0.000 2.168 424 G HA2 -0.151 3.822 3.960 0.023 0.000 0.263 424 G HA3 -0.151 3.822 3.960 0.023 0.000 0.263 424 G C 0.462 175.489 174.900 0.213 0.000 0.977 424 G CA 0.133 45.375 45.100 0.237 0.000 0.659 424 G HN 0.799 nan 8.290 nan 0.000 0.533 425 G N -1.808 107.121 108.800 0.214 0.000 2.343 425 G HA2 0.608 4.581 3.960 0.023 0.000 0.289 425 G HA3 0.608 4.581 3.960 0.023 0.000 0.289 425 G C -2.423 172.657 174.900 0.299 0.000 1.295 425 G CA 0.352 45.566 45.100 0.190 0.000 0.869 425 G HN 0.448 nan 8.290 nan 0.000 0.522 426 P HA 0.171 nan 4.420 nan 0.000 0.257 426 P C 0.065 177.391 177.300 0.044 0.000 1.281 426 P CA 0.236 63.469 63.100 0.222 0.000 0.826 426 P CB 0.242 32.026 31.700 0.141 0.000 1.237 427 N N 0.398 119.124 118.700 0.044 0.000 2.380 427 N HA 0.090 4.843 4.740 0.023 0.000 0.255 427 N C 0.946 176.285 175.510 -0.285 0.000 1.158 427 N CA -0.233 52.720 53.050 -0.162 0.000 0.878 427 N CB -0.423 38.012 38.487 -0.087 0.000 1.138 427 N HN 0.235 nan 8.380 nan 0.000 0.509 428 F N 0.678 120.643 119.950 0.024 0.000 2.451 428 F HA -0.057 4.483 4.527 0.021 0.000 0.299 428 F C 2.262 178.019 175.800 -0.071 0.000 1.101 428 F CA 0.687 58.670 58.000 -0.028 0.000 1.436 428 F CB -0.743 38.263 39.000 0.010 0.000 1.074 428 F HN 0.164 nan 8.300 nan 0.000 0.553 429 H N 0.526 119.230 119.070 -0.610 0.000 2.521 429 H HA 0.041 4.611 4.556 0.023 0.000 0.286 429 H C 0.870 176.046 175.328 -0.254 0.000 1.034 429 H CA 1.396 57.203 56.048 -0.403 0.000 1.278 429 H CB -0.726 28.667 29.762 -0.615 0.000 1.386 429 H HN 0.521 nan 8.280 nan 0.000 0.567 430 E N 0.965 120.747 120.200 -0.696 0.000 2.442 430 E HA 0.174 4.538 4.350 0.023 0.000 0.195 430 E C 0.385 176.863 176.600 -0.203 0.000 1.030 430 E CA -0.256 55.894 56.400 -0.418 0.000 0.869 430 E CB 0.506 29.963 29.700 -0.404 0.000 0.857 430 E HN 0.430 nan 8.360 nan 0.000 0.505 431 I N 2.831 123.306 120.570 -0.158 0.000 2.598 431 I HA -0.047 4.136 4.170 0.023 0.000 0.284 431 I C -1.548 174.507 176.117 -0.102 0.000 1.140 431 I CA -1.494 59.745 61.300 -0.102 0.000 1.420 431 I CB 0.551 38.508 38.000 -0.070 0.000 1.387 431 I HN -0.194 nan 8.210 nan 0.000 0.553 432 P HA -0.275 nan 4.420 nan 0.000 0.219 432 P C 1.728 178.953 177.300 -0.124 0.000 1.161 432 P CA 1.452 64.492 63.100 -0.100 0.000 0.909 432 P CB 0.160 31.808 31.700 -0.087 0.000 0.793 433 I N -0.997 119.471 120.570 -0.169 0.000 2.361 433 I HA -0.189 3.994 4.170 0.023 0.000 0.251 433 I C 1.385 177.429 176.117 -0.123 0.000 1.133 433 I CA 1.724 62.876 61.300 -0.248 0.000 1.413 433 I CB -0.608 37.125 38.000 -0.444 0.000 1.073 433 I HN -0.106 nan 8.210 nan 0.000 0.424 434 N N 0.712 119.356 118.700 -0.092 0.000 2.463 434 N HA 0.026 4.780 4.740 0.023 0.000 0.181 434 N C 0.283 175.807 175.510 0.024 0.000 1.078 434 N CA 0.224 53.253 53.050 -0.035 0.000 0.902 434 N CB -0.140 38.346 38.487 -0.002 0.000 0.970 434 N HN 0.379 nan 8.380 nan 0.000 0.451 435 R N 1.687 122.191 120.500 0.007 0.000 2.522 435 R HA 0.129 4.483 4.340 0.023 0.000 0.284 435 R C -2.225 174.130 176.300 0.091 0.000 1.032 435 R CA -1.145 54.958 56.100 0.005 0.000 1.049 435 R CB -0.166 30.119 30.300 -0.024 0.000 0.956 435 R HN 0.038 nan 8.270 nan 0.000 0.422 436 P HA -0.019 nan 4.420 nan 0.000 0.269 436 P C 0.550 177.912 177.300 0.103 0.000 1.215 436 P CA 0.049 63.215 63.100 0.110 0.000 0.780 436 P CB 0.669 32.391 31.700 0.036 0.000 0.898 437 T N -2.736 111.890 114.554 0.120 0.000 3.060 437 T HA 0.083 4.446 4.350 0.023 0.000 0.249 437 T C 0.839 175.577 174.700 0.063 0.000 1.079 437 T CA -0.031 62.098 62.100 0.048 0.000 1.013 437 T CB -1.023 67.855 68.868 0.016 0.000 0.975 437 T HN 0.572 nan 8.240 nan 0.000 0.518 438 C N 0.865 120.217 119.300 0.087 0.000 2.325 438 C HA 0.803 5.277 4.460 0.023 0.000 0.370 438 C C -2.559 172.487 174.990 0.094 0.000 1.217 438 C CA -2.613 56.456 59.018 0.086 0.000 2.254 438 C CB 0.252 28.047 27.740 0.092 0.000 2.282 438 C HN 0.141 nan 8.230 nan 0.000 0.564 439 P HA 0.281 nan 4.420 nan 0.000 0.268 439 P C -1.246 176.130 177.300 0.128 0.000 1.205 439 P CA 0.471 63.641 63.100 0.116 0.000 0.771 439 P CB -0.056 31.746 31.700 0.170 0.000 0.858 440 Y N 1.186 121.386 120.300 -0.168 0.000 2.361 440 Y HA 0.626 5.190 4.550 0.022 0.000 0.328 440 Y C -1.468 174.134 175.900 -0.497 0.000 1.044 440 Y CA -0.876 57.103 58.100 -0.202 0.000 1.085 440 Y CB 1.248 39.612 38.460 -0.161 0.000 1.194 440 Y HN 0.437 nan 8.280 nan 0.000 0.438 441 H N 3.965 122.936 119.070 -0.165 0.000 2.856 441 H HA 0.562 5.131 4.556 0.023 0.000 0.355 441 H C -1.159 174.047 175.328 -0.204 0.000 1.079 441 H CA -0.746 55.123 56.048 -0.299 0.000 1.240 441 H CB 1.738 31.360 29.762 -0.233 0.000 1.701 441 H HN 0.889 nan 8.280 nan 0.000 0.527 442 N N 0.361 118.946 118.700 -0.192 0.000 3.378 442 N HA 0.167 4.921 4.740 0.023 0.000 0.294 442 N C -1.223 174.059 175.510 -0.380 0.000 1.544 442 N CA -0.914 51.984 53.050 -0.253 0.000 0.872 442 N CB 0.634 39.125 38.487 0.006 0.000 1.670 442 N HN 0.307 nan 8.380 nan 0.000 0.551 443 F N -0.356 119.634 119.950 0.067 0.000 2.641 443 F HA 0.344 4.884 4.527 0.022 0.000 0.302 443 F C 0.423 176.266 175.800 0.072 0.000 1.098 443 F CA -0.370 57.666 58.000 0.060 0.000 1.318 443 F CB 0.199 39.231 39.000 0.053 0.000 1.035 443 F HN 0.137 nan 8.300 nan 0.000 0.551 444 Q N 1.707 121.617 119.800 0.182 0.000 2.332 444 Q HA 0.360 4.714 4.340 0.023 0.000 0.263 444 Q C 0.059 176.137 176.000 0.129 0.000 0.979 444 Q CA 0.043 55.933 55.803 0.145 0.000 0.885 444 Q CB 0.993 29.795 28.738 0.107 0.000 1.218 444 Q HN 0.105 nan 8.270 nan 0.000 0.405 445 R N 1.643 122.213 120.500 0.118 0.000 2.855 445 R HA 0.353 4.706 4.340 0.023 0.000 0.266 445 R C -0.490 175.861 176.300 0.084 0.000 1.034 445 R CA -0.662 55.499 56.100 0.101 0.000 0.944 445 R CB 1.045 31.406 30.300 0.102 0.000 1.219 445 R HN 0.702 nan 8.270 nan 0.000 0.474 446 D N -0.099 120.343 120.400 0.070 0.000 3.301 446 D HA -0.204 4.450 4.640 0.023 0.000 0.217 446 D C 0.385 176.717 176.300 0.053 0.000 1.548 446 D CA 2.095 56.127 54.000 0.054 0.000 1.118 446 D CB -1.085 39.744 40.800 0.048 0.000 0.684 446 D HN 0.900 nan 8.370 nan 0.000 0.821 447 G N -1.297 107.526 108.800 0.039 0.000 2.705 447 G HA2 0.184 4.157 3.960 0.023 0.000 0.686 447 G HA3 0.184 4.157 3.960 0.023 0.000 0.686 447 G C -0.210 174.692 174.900 0.003 0.000 1.285 447 G CA 0.072 45.192 45.100 0.032 0.000 0.800 447 G HN 0.792 nan 8.290 nan 0.000 0.611 448 M N 1.588 121.162 119.600 -0.043 0.000 2.245 448 M HA 0.388 4.881 4.480 0.023 0.000 0.335 448 M C 1.329 177.569 176.300 -0.100 0.000 1.155 448 M CA 1.510 56.707 55.300 -0.171 0.000 1.055 448 M CB -0.758 31.642 32.600 -0.332 0.000 1.670 448 M HN 1.286 nan 8.290 nan 0.000 0.447 449 H N -0.328 118.751 119.070 0.015 0.000 2.770 449 H HA -0.183 4.386 4.556 0.022 0.000 0.309 449 H C -0.447 174.874 175.328 -0.011 0.000 1.206 449 H CA 0.504 56.555 56.048 0.005 0.000 1.147 449 H CB -1.578 28.190 29.762 0.009 0.000 1.422 449 H HN 0.579 nan 8.280 nan 0.000 0.420 450 R N 1.348 121.894 120.500 0.076 0.000 2.351 450 R HA 0.121 4.475 4.340 0.023 0.000 0.318 450 R C 0.873 177.191 176.300 0.029 0.000 1.055 450 R CA -0.060 56.066 56.100 0.042 0.000 0.968 450 R CB 0.374 30.698 30.300 0.039 0.000 0.974 450 R HN 0.301 nan 8.270 nan 0.000 0.439 451 M N 2.536 122.138 119.600 0.003 0.000 2.557 451 M HA 0.235 4.728 4.480 0.023 0.000 0.262 451 M C 0.926 177.224 176.300 -0.004 0.000 1.168 451 M CA 0.934 56.230 55.300 -0.006 0.000 1.194 451 M CB -0.792 31.789 32.600 -0.032 0.000 1.311 451 M HN 0.700 nan 8.290 nan 0.000 0.489 452 G N 2.047 110.847 108.800 0.001 0.000 2.343 452 G HA2 0.368 4.341 3.960 0.023 0.000 0.254 452 G HA3 0.368 4.341 3.960 0.023 0.000 0.254 452 G C -0.325 174.574 174.900 -0.002 0.000 1.277 452 G CA -0.341 44.756 45.100 -0.004 0.000 0.909 452 G HN 0.321 nan 8.290 nan 0.000 0.502 453 I N 3.008 123.572 120.570 -0.011 0.000 2.307 453 I HA 0.094 4.278 4.170 0.023 0.000 0.287 453 I C -0.240 175.871 176.117 -0.009 0.000 1.054 453 I CA -0.529 60.769 61.300 -0.003 0.000 1.218 453 I CB 0.842 38.841 38.000 -0.002 0.000 1.398 453 I HN 0.357 nan 8.210 nan 0.000 0.475 454 D N 4.796 125.195 120.400 -0.001 0.000 2.351 454 D HA 0.072 4.725 4.640 0.023 0.000 0.251 454 D C 1.185 177.490 176.300 0.008 0.000 1.137 454 D CA 0.242 54.239 54.000 -0.004 0.000 0.879 454 D CB 1.810 42.614 40.800 0.007 0.000 1.181 454 D HN 0.560 nan 8.370 nan 0.000 0.448 455 T N -0.996 113.559 114.554 0.001 0.000 3.040 455 T HA -0.049 4.314 4.350 0.023 0.000 0.250 455 T C 0.845 175.555 174.700 0.017 0.000 1.058 455 T CA -0.540 61.565 62.100 0.007 0.000 0.988 455 T CB 0.173 69.038 68.868 -0.005 0.000 0.993 455 T HN 0.113 nan 8.240 nan 0.000 0.519 456 N N 3.473 122.185 118.700 0.020 0.000 2.411 456 N HA 0.086 4.840 4.740 0.023 0.000 0.265 456 N C -1.629 173.921 175.510 0.066 0.000 1.266 456 N CA -1.509 51.565 53.050 0.040 0.000 0.889 456 N CB 1.408 39.920 38.487 0.042 0.000 1.069 456 N HN 0.068 nan 8.380 nan 0.000 0.476 457 P HA -0.047 nan 4.420 nan 0.000 0.218 457 P C -0.486 176.876 177.300 0.103 0.000 1.148 457 P CA 1.025 64.170 63.100 0.076 0.000 0.822 457 P CB 0.178 31.917 31.700 0.066 0.000 0.784 458 A N 0.564 123.434 122.820 0.083 0.000 2.306 458 A HA 0.400 4.733 4.320 0.023 0.000 0.314 458 A C 0.514 178.208 177.584 0.183 0.000 1.164 458 A CA -0.610 51.435 52.037 0.012 0.000 0.822 458 A CB -0.042 18.801 19.000 -0.263 0.000 1.130 458 A HN 0.303 nan 8.150 nan 0.000 0.496 459 N N 0.067 118.916 118.700 0.249 0.000 2.299 459 N HA 0.344 5.097 4.740 0.023 0.000 0.246 459 N C -0.847 174.847 175.510 0.306 0.000 1.254 459 N CA -0.341 52.929 53.050 0.368 0.000 0.879 459 N CB 0.374 39.026 38.487 0.276 0.000 1.214 459 N HN 0.699 nan 8.380 nan 0.000 0.510 460 Y N -0.820 119.378 120.300 -0.170 0.000 2.638 460 Y HA 0.688 5.252 4.550 0.022 0.000 0.335 460 Y C -1.587 173.714 175.900 -0.998 0.000 1.155 460 Y CA -1.349 56.462 58.100 -0.483 0.000 1.046 460 Y CB 1.074 39.409 38.460 -0.207 0.000 1.303 460 Y HN 0.059 nan 8.280 nan 0.000 0.460 461 E N 0.881 120.619 120.200 -0.769 0.000 2.356 461 E HA 0.627 4.991 4.350 0.023 0.000 0.275 461 E C -3.206 173.281 176.600 -0.189 0.000 0.904 461 E CA -1.988 54.036 56.400 -0.627 0.000 0.757 461 E CB 1.755 31.023 29.700 -0.719 0.000 1.232 461 E HN 0.580 nan 8.360 nan 0.000 0.442 462 P HA 0.300 nan 4.420 nan 0.000 0.275 462 P C -1.247 175.995 177.300 -0.096 0.000 1.228 462 P CA -0.447 62.580 63.100 -0.122 0.000 0.786 462 P CB 0.552 32.218 31.700 -0.058 0.000 0.927 463 N N -1.457 117.118 118.700 -0.208 0.000 2.284 463 N HA 0.349 5.102 4.740 0.023 0.000 0.289 463 N C 0.244 175.701 175.510 -0.088 0.000 1.179 463 N CA -0.755 52.178 53.050 -0.196 0.000 0.774 463 N CB 1.406 39.489 38.487 -0.674 0.000 1.548 463 N HN 0.190 nan 8.380 nan 0.000 0.473 464 S N 0.484 116.180 115.700 -0.006 0.000 2.497 464 S HA 0.003 4.487 4.470 0.023 0.000 0.218 464 S C 1.571 176.182 174.600 0.018 0.000 1.023 464 S CA 0.008 58.209 58.200 0.002 0.000 0.913 464 S CB -0.783 62.431 63.200 0.023 0.000 0.800 464 S HN 0.714 nan 8.310 nan 0.000 0.505 465 I N -0.521 120.067 120.570 0.030 0.000 2.916 465 I HA 0.181 4.364 4.170 0.023 0.000 0.267 465 I C 1.267 177.413 176.117 0.048 0.000 1.263 465 I CA 1.337 62.666 61.300 0.048 0.000 1.471 465 I CB -0.384 37.663 38.000 0.079 0.000 1.089 465 I HN 0.203 nan 8.210 nan 0.000 0.468 466 N N 0.991 119.717 118.700 0.044 0.000 2.299 466 N HA 0.038 4.791 4.740 0.023 0.000 0.246 466 N C -0.088 175.529 175.510 0.178 0.000 1.254 466 N CA -0.021 53.096 53.050 0.112 0.000 0.879 466 N CB 0.124 38.688 38.487 0.129 0.000 1.214 466 N HN 0.220 nan 8.380 nan 0.000 0.510 467 D N 0.718 121.171 120.400 0.087 0.000 2.772 467 D HA -0.249 4.405 4.640 0.023 0.000 0.233 467 D C -0.158 176.043 176.300 -0.165 0.000 1.143 467 D CA 1.057 55.077 54.000 0.033 0.000 0.700 467 D CB -1.456 39.447 40.800 0.171 0.000 1.076 467 D HN 0.471 nan 8.370 nan 0.000 0.430 468 N N -1.606 117.017 118.700 -0.129 0.000 2.741 468 N HA -0.246 4.508 4.740 0.023 0.000 0.251 468 N C -0.852 174.565 175.510 -0.154 0.000 1.112 468 N CA 1.420 54.362 53.050 -0.179 0.000 0.750 468 N CB -1.268 37.066 38.487 -0.254 0.000 1.119 468 N HN 0.541 nan 8.380 nan 0.000 0.561 469 W N 0.866 122.215 121.300 0.082 0.000 2.381 469 W HA 0.458 5.131 4.660 0.022 0.000 0.329 469 W C -1.661 174.884 176.519 0.045 0.000 1.157 469 W CA -1.640 55.732 57.345 0.045 0.000 1.240 469 W CB 0.628 30.065 29.460 -0.039 0.000 1.199 469 W HN -0.036 nan 8.180 nan 0.000 0.579 470 P HA 0.208 nan 4.420 nan 0.000 0.274 470 P C -0.691 176.728 177.300 0.198 0.000 1.231 470 P CA -0.143 63.086 63.100 0.216 0.000 0.790 470 P CB 1.035 32.717 31.700 -0.030 0.000 0.951 471 R N 0.916 121.507 120.500 0.152 0.000 2.668 471 R HA 0.346 4.700 4.340 0.023 0.000 0.279 471 R C 0.327 176.652 176.300 0.042 0.000 0.976 471 R CA -0.858 55.218 56.100 -0.041 0.000 0.978 471 R CB 1.093 31.151 30.300 -0.403 0.000 1.133 471 R HN 0.483 nan 8.270 nan 0.000 0.484 472 E N 0.668 120.883 120.200 0.025 0.000 2.418 472 E HA 0.042 4.405 4.350 0.023 0.000 0.261 472 E C -0.554 176.064 176.600 0.030 0.000 1.070 472 E CA 0.603 57.029 56.400 0.044 0.000 0.931 472 E CB 0.661 30.378 29.700 0.029 0.000 0.954 472 E HN 0.357 nan 8.360 nan 0.000 0.439 473 T N 3.379 117.963 114.554 0.050 0.000 2.841 473 T HA 0.335 4.699 4.350 0.023 0.000 0.285 473 T C -2.444 172.276 174.700 0.035 0.000 0.991 473 T CA -1.611 60.517 62.100 0.046 0.000 0.966 473 T CB 1.412 70.320 68.868 0.066 0.000 0.962 473 T HN 0.256 nan 8.240 nan 0.000 0.438 474 P HA 0.251 nan 4.420 nan 0.000 0.270 474 P C -2.506 174.797 177.300 0.005 0.000 1.223 474 P CA -1.384 61.721 63.100 0.008 0.000 0.785 474 P CB -0.479 31.221 31.700 0.001 0.000 0.923 475 P HA 0.298 nan 4.420 nan 0.000 0.272 475 P C 0.002 177.288 177.300 -0.022 0.000 1.230 475 P CA 0.378 63.459 63.100 -0.031 0.000 0.788 475 P CB 0.617 32.278 31.700 -0.066 0.000 0.949 476 G N 0.719 109.505 108.800 -0.023 0.000 2.488 476 G HA2 0.395 4.368 3.960 0.023 0.000 0.301 476 G HA3 0.395 4.368 3.960 0.023 0.000 0.301 476 G C -2.534 172.355 174.900 -0.018 0.000 1.339 476 G CA -0.724 44.366 45.100 -0.016 0.000 0.803 476 G HN 0.163 nan 8.290 nan 0.000 0.482 477 P HA 0.086 nan 4.420 nan 0.000 0.217 477 P C 0.067 177.362 177.300 -0.008 0.000 1.151 477 P CA 1.132 64.223 63.100 -0.015 0.000 0.828 477 P CB 0.174 31.868 31.700 -0.011 0.000 0.788 478 K N -1.226 119.176 120.400 0.003 0.000 2.498 478 K HA 0.417 4.751 4.320 0.023 0.000 0.254 478 K C -0.024 176.591 176.600 0.025 0.000 0.933 478 K CA -0.770 55.525 56.287 0.014 0.000 0.806 478 K CB 1.535 34.045 32.500 0.017 0.000 1.301 478 K HN -0.306 nan 8.250 nan 0.000 0.432 479 R N -0.248 120.274 120.500 0.037 0.000 3.627 479 R HA -0.152 4.202 4.340 0.023 0.000 0.281 479 R C 0.074 176.402 176.300 0.047 0.000 1.140 479 R CA 1.049 57.177 56.100 0.047 0.000 0.761 479 R CB -2.159 28.169 30.300 0.046 0.000 1.181 479 R HN 0.953 nan 8.270 nan 0.000 0.472 480 G N -0.955 107.868 108.800 0.038 0.000 2.521 480 G HA2 0.634 4.607 3.960 0.023 0.000 0.323 480 G HA3 0.634 4.607 3.960 0.023 0.000 0.323 480 G C 0.310 175.241 174.900 0.051 0.000 1.211 480 G CA 0.052 45.172 45.100 0.034 0.000 0.979 480 G HN 0.250 nan 8.290 nan 0.000 0.490 481 G N -1.304 107.526 108.800 0.050 0.000 2.569 481 G HA2 0.406 4.379 3.960 0.023 0.000 0.249 481 G HA3 0.406 4.379 3.960 0.023 0.000 0.249 481 G C -0.663 174.286 174.900 0.081 0.000 1.216 481 G CA -0.523 44.627 45.100 0.083 0.000 0.845 481 G HN 0.456 nan 8.290 nan 0.000 0.568 482 F N 0.428 120.387 119.950 0.015 0.000 2.456 482 F HA 0.398 4.939 4.527 0.023 0.000 0.358 482 F C 0.514 176.322 175.800 0.013 0.000 1.095 482 F CA -0.200 57.803 58.000 0.006 0.000 1.216 482 F CB 0.886 39.889 39.000 0.005 0.000 1.125 482 F HN 0.449 nan 8.300 nan 0.000 0.549 483 E N 4.211 123.981 120.200 -0.717 0.000 2.263 483 E HA 0.301 4.665 4.350 0.023 0.000 0.268 483 E C -1.219 174.999 176.600 -0.638 0.000 0.884 483 E CA -0.756 55.401 56.400 -0.405 0.000 0.766 483 E CB 1.567 31.143 29.700 -0.207 0.000 1.196 483 E HN 0.618 nan 8.360 nan 0.000 0.416 484 S N 2.569 118.132 115.700 -0.229 0.000 2.572 484 S HA 0.013 4.497 4.470 0.023 0.000 0.279 484 S C -0.567 174.010 174.600 -0.038 0.000 1.341 484 S CA -0.348 57.822 58.200 -0.050 0.000 1.043 484 S CB 0.139 63.446 63.200 0.178 0.000 0.887 484 S HN 0.474 nan 8.310 nan 0.000 0.516 485 Y N 2.652 122.888 120.300 -0.107 0.000 2.620 485 Y HA -0.005 4.558 4.550 0.022 0.000 0.330 485 Y C 0.878 176.756 175.900 -0.036 0.000 1.186 485 Y CA 0.061 58.108 58.100 -0.089 0.000 1.467 485 Y CB 0.201 38.610 38.460 -0.085 0.000 1.262 485 Y HN 0.576 nan 8.280 nan 0.000 0.550 486 Q N 5.535 124.994 119.800 -0.569 0.000 3.107 486 Q HA -0.027 4.326 4.340 0.023 0.000 0.268 486 Q C -0.233 175.452 176.000 -0.526 0.000 1.382 486 Q CA 0.096 55.638 55.803 -0.434 0.000 0.927 486 Q CB -0.275 28.277 28.738 -0.309 0.000 1.755 486 Q HN 0.657 nan 8.270 nan 0.000 0.545 487 E N 1.690 121.677 120.200 -0.356 0.000 2.384 487 E HA 0.015 4.378 4.350 0.023 0.000 0.266 487 E C -0.314 176.247 176.600 -0.065 0.000 1.012 487 E CA -0.384 55.928 56.400 -0.146 0.000 0.901 487 E CB 0.688 30.447 29.700 0.097 0.000 0.967 487 E HN 0.258 nan 8.360 nan 0.000 0.435 488 R N 3.250 123.733 120.500 -0.028 0.000 2.442 488 R HA 0.172 4.526 4.340 0.023 0.000 0.291 488 R C -1.218 175.100 176.300 0.031 0.000 1.069 488 R CA -0.320 55.778 56.100 -0.003 0.000 1.022 488 R CB 0.631 30.939 30.300 0.012 0.000 0.976 488 R HN 0.317 nan 8.270 nan 0.000 0.443 489 V N 4.697 124.623 119.914 0.020 0.000 2.448 489 V HA 0.367 4.500 4.120 0.023 0.000 0.295 489 V C -0.414 175.692 176.094 0.019 0.000 1.025 489 V CA -0.489 61.828 62.300 0.029 0.000 0.859 489 V CB 1.465 33.302 31.823 0.024 0.000 0.988 489 V HN 0.852 nan 8.190 nan 0.000 0.431 490 E N 2.952 123.166 120.200 0.022 0.000 2.307 490 E HA 0.653 5.017 4.350 0.023 0.000 0.280 490 E C -0.491 176.115 176.600 0.009 0.000 0.900 490 E CA -0.160 56.247 56.400 0.012 0.000 0.790 490 E CB 2.114 31.820 29.700 0.011 0.000 1.261 490 E HN 0.977 nan 8.360 nan 0.000 0.405 491 G N 2.776 111.576 108.800 0.001 0.000 2.320 491 G HA2 0.079 4.053 3.960 0.023 0.000 0.297 491 G HA3 0.079 4.053 3.960 0.023 0.000 0.297 491 G C -1.529 173.365 174.900 -0.010 0.000 1.344 491 G CA -0.947 44.150 45.100 -0.006 0.000 0.851 491 G HN 0.411 nan 8.290 nan 0.000 0.567 492 N N 0.119 118.810 118.700 -0.015 0.000 2.489 492 N HA 0.370 5.123 4.740 0.023 0.000 0.284 492 N C -0.193 175.304 175.510 -0.022 0.000 1.158 492 N CA -0.371 52.669 53.050 -0.017 0.000 0.965 492 N CB 1.273 39.749 38.487 -0.018 0.000 1.195 492 N HN 0.473 nan 8.380 nan 0.000 0.506 493 K N 0.913 121.300 120.400 -0.022 0.000 2.351 493 K HA 0.177 4.510 4.320 0.023 0.000 0.287 493 K C -0.298 176.280 176.600 -0.036 0.000 1.068 493 K CA -0.134 56.136 56.287 -0.028 0.000 0.998 493 K CB -0.113 32.371 32.500 -0.026 0.000 0.968 493 K HN 0.334 nan 8.250 nan 0.000 0.464 494 V N 0.197 120.085 119.914 -0.044 0.000 2.962 494 V HA 0.489 4.623 4.120 0.023 0.000 0.313 494 V C -0.456 175.597 176.094 -0.068 0.000 1.099 494 V CA -1.358 60.911 62.300 -0.051 0.000 0.971 494 V CB 2.078 33.873 31.823 -0.048 0.000 1.028 494 V HN 0.617 nan 8.190 nan 0.000 0.430 495 R N 1.959 122.415 120.500 -0.074 0.000 2.666 495 R HA 0.562 4.915 4.340 0.023 0.000 0.275 495 R C -0.550 175.700 176.300 -0.084 0.000 1.266 495 R CA -0.132 55.909 56.100 -0.097 0.000 1.401 495 R CB 0.793 31.021 30.300 -0.120 0.000 1.145 495 R HN 0.931 nan 8.270 nan 0.000 0.581 496 E N 1.720 121.868 120.200 -0.087 0.000 2.290 496 E HA 0.256 4.620 4.350 0.023 0.000 0.274 496 E C -1.192 175.339 176.600 -0.115 0.000 0.889 496 E CA -1.043 55.308 56.400 -0.082 0.000 0.760 496 E CB 1.587 31.246 29.700 -0.069 0.000 1.206 496 E HN 0.085 nan 8.360 nan 0.000 0.419 497 R N 1.838 122.274 120.500 -0.106 0.000 2.390 497 R HA 0.218 4.571 4.340 0.023 0.000 0.291 497 R C -0.543 175.641 176.300 -0.193 0.000 1.070 497 R CA 0.033 56.031 56.100 -0.171 0.000 1.014 497 R CB 1.206 31.459 30.300 -0.077 0.000 1.007 497 R HN 0.404 nan 8.270 nan 0.000 0.466 498 S N 4.827 120.306 115.700 -0.368 0.000 2.549 498 S HA 0.115 4.599 4.470 0.023 0.000 0.286 498 S C -1.537 173.034 174.600 -0.049 0.000 1.314 498 S CA -1.205 56.864 58.200 -0.219 0.000 1.062 498 S CB 0.669 63.700 63.200 -0.282 0.000 0.865 498 S HN 0.548 nan 8.310 nan 0.000 0.498 499 P HA -0.096 nan 4.420 nan 0.000 0.219 499 P C 1.495 178.849 177.300 0.090 0.000 1.146 499 P CA 1.191 64.315 63.100 0.040 0.000 0.808 499 P CB -0.146 31.566 31.700 0.020 0.000 0.779 500 S N -1.980 113.814 115.700 0.157 0.000 2.469 500 S HA -0.120 4.363 4.470 0.023 0.000 0.238 500 S C 1.483 176.242 174.600 0.264 0.000 0.998 500 S CA 0.903 59.225 58.200 0.204 0.000 0.957 500 S CB -1.396 61.961 63.200 0.261 0.000 0.764 500 S HN -0.014 nan 8.310 nan 0.000 0.514 501 F N 2.240 122.181 119.950 -0.015 0.000 2.743 501 F HA 0.372 4.912 4.527 0.022 0.000 0.297 501 F C 2.054 177.787 175.800 -0.112 0.000 1.131 501 F CA -0.718 57.268 58.000 -0.024 0.000 1.426 501 F CB -0.774 38.244 39.000 0.030 0.000 1.116 501 F HN 0.337 nan 8.300 nan 0.000 0.583 502 G N 0.722 109.530 108.800 0.014 0.000 3.353 502 G HA2 0.059 4.033 3.960 0.023 0.000 0.247 502 G HA3 0.059 4.033 3.960 0.023 0.000 0.247 502 G C -0.006 174.469 174.900 -0.708 0.000 1.025 502 G CA 0.180 45.101 45.100 -0.299 0.000 1.863 502 G HN 0.050 nan 8.290 nan 0.000 0.635 503 E N 0.157 119.848 120.200 -0.848 0.000 2.260 503 E HA 0.303 4.667 4.350 0.023 0.000 0.266 503 E C -0.884 175.285 176.600 -0.718 0.000 0.887 503 E CA -0.770 55.227 56.400 -0.673 0.000 0.777 503 E CB 1.427 30.982 29.700 -0.241 0.000 1.205 503 E HN 0.227 nan 8.360 nan 0.000 0.414 504 Y N 2.697 122.791 120.300 -0.343 0.000 2.471 504 Y HA 0.200 4.764 4.550 0.023 0.000 0.249 504 Y C 0.686 176.323 175.900 -0.439 0.000 1.116 504 Y CA -0.116 57.698 58.100 -0.477 0.000 1.240 504 Y CB 0.405 38.425 38.460 -0.732 0.000 1.251 504 Y HN 0.424 nan 8.280 nan 0.000 0.527 505 Y N -1.378 119.011 120.300 0.149 0.000 2.483 505 Y HA 0.085 4.648 4.550 0.023 0.000 0.258 505 Y C 2.418 178.382 175.900 0.108 0.000 1.083 505 Y CA 0.109 58.291 58.100 0.136 0.000 1.283 505 Y CB -0.390 38.153 38.460 0.139 0.000 1.178 505 Y HN 0.057 nan 8.280 nan 0.000 0.515 506 S N -0.523 115.312 115.700 0.226 0.000 2.382 506 S HA -0.218 4.266 4.470 0.023 0.000 0.228 506 S C 1.489 176.150 174.600 0.101 0.000 1.027 506 S CA 1.762 60.066 58.200 0.174 0.000 0.991 506 S CB -0.597 62.708 63.200 0.175 0.000 0.823 506 S HN 0.447 nan 8.310 nan 0.000 0.469 507 H N 2.948 121.934 119.070 -0.140 0.000 2.326 507 H HA 0.166 4.736 4.556 0.023 0.000 0.301 507 H C -0.588 174.553 175.328 -0.312 0.000 1.081 507 H CA 1.549 57.353 56.048 -0.406 0.000 1.334 507 H CB -1.737 27.527 29.762 -0.830 0.000 1.385 507 H HN 0.387 nan 8.280 nan 0.000 0.504 508 P HA -0.189 nan 4.420 nan 0.000 0.215 508 P C 1.480 178.977 177.300 0.328 0.000 1.157 508 P CA 1.742 65.017 63.100 0.292 0.000 0.874 508 P CB 0.073 31.962 31.700 0.316 0.000 0.790 509 R N -0.456 120.182 120.500 0.231 0.000 2.081 509 R HA -0.138 4.215 4.340 0.023 0.000 0.235 509 R C 2.191 178.621 176.300 0.216 0.000 1.131 509 R CA 1.204 57.441 56.100 0.227 0.000 0.960 509 R CB -1.075 29.319 30.300 0.156 0.000 0.856 509 R HN 0.066 nan 8.270 nan 0.000 0.436 510 L N 0.449 121.739 121.223 0.111 0.000 2.042 510 L HA -0.151 4.202 4.340 0.023 0.000 0.210 510 L C 1.979 178.907 176.870 0.096 0.000 1.076 510 L CA 1.760 56.628 54.840 0.046 0.000 0.749 510 L CB -0.712 41.294 42.059 -0.089 0.000 0.893 510 L HN 0.235 nan 8.230 nan 0.000 0.432 511 F N -0.697 119.283 119.950 0.050 0.000 2.075 511 F HA -0.283 4.258 4.527 0.023 0.000 0.297 511 F C 2.354 178.155 175.800 0.002 0.000 1.113 511 F CA 2.233 60.240 58.000 0.011 0.000 1.218 511 F CB -0.685 38.358 39.000 0.072 0.000 0.984 511 F HN 0.386 nan 8.300 nan 0.000 0.472 512 W N 1.512 122.792 121.300 -0.033 0.000 2.318 512 W HA -0.274 4.400 4.660 0.022 0.000 0.313 512 W C 1.780 178.169 176.519 -0.215 0.000 1.221 512 W CA 1.999 59.268 57.345 -0.126 0.000 1.266 512 W CB -0.786 28.699 29.460 0.041 0.000 1.150 512 W HN 0.109 nan 8.180 nan 0.000 0.496 513 L N 1.089 122.231 121.223 -0.135 0.000 2.362 513 L HA -0.158 4.196 4.340 0.023 0.000 0.219 513 L C 2.336 179.012 176.870 -0.324 0.000 1.134 513 L CA 1.119 55.809 54.840 -0.250 0.000 0.807 513 L CB -0.713 41.330 42.059 -0.028 0.000 0.927 513 L HN -0.133 nan 8.230 nan 0.000 0.447 514 S N -1.463 114.028 115.700 -0.348 0.000 2.558 514 S HA 0.049 4.532 4.470 0.023 0.000 0.217 514 S C 0.735 175.052 174.600 -0.471 0.000 0.975 514 S CA 0.071 58.066 58.200 -0.342 0.000 0.912 514 S CB 0.021 63.058 63.200 -0.272 0.000 0.776 514 S HN 0.302 nan 8.310 nan 0.000 0.526 515 Q N 2.230 121.639 119.800 -0.651 0.000 2.306 515 Q HA 0.276 4.629 4.340 0.023 0.000 0.241 515 Q C 0.656 176.264 176.000 -0.653 0.000 0.948 515 Q CA -0.079 55.308 55.803 -0.694 0.000 0.886 515 Q CB 0.353 28.607 28.738 -0.807 0.000 1.227 515 Q HN 0.425 nan 8.270 nan 0.000 0.457 516 T N -1.886 112.236 114.554 -0.720 0.000 2.766 516 T HA 0.151 4.515 4.350 0.023 0.000 0.295 516 T C -1.736 172.477 174.700 -0.810 0.000 1.024 516 T CA -1.319 60.309 62.100 -0.786 0.000 1.018 516 T CB 0.273 68.419 68.868 -1.204 0.000 1.002 516 T HN 0.223 nan 8.240 nan 0.000 0.532 517 P HA -0.035 nan 4.420 nan 0.000 0.215 517 P C 1.392 178.467 177.300 -0.375 0.000 1.153 517 P CA 1.094 63.958 63.100 -0.394 0.000 0.853 517 P CB -0.262 31.329 31.700 -0.183 0.000 0.788 518 F N -0.273 119.482 119.950 -0.325 0.000 2.259 518 F HA 0.059 4.599 4.527 0.022 0.000 0.298 518 F C 1.877 177.318 175.800 -0.598 0.000 1.088 518 F CA 0.784 58.533 58.000 -0.418 0.000 1.358 518 F CB -1.571 37.160 39.000 -0.448 0.000 1.040 518 F HN -0.110 nan 8.300 nan 0.000 0.505 519 E N 0.599 120.226 120.200 -0.955 0.000 2.077 519 E HA -0.216 4.147 4.350 0.023 0.000 0.193 519 E C 2.238 178.645 176.600 -0.322 0.000 0.989 519 E CA 1.455 57.514 56.400 -0.568 0.000 0.800 519 E CB -0.268 29.052 29.700 -0.634 0.000 0.746 519 E HN 0.618 nan 8.360 nan 0.000 0.452 520 Q N 0.221 119.748 119.800 -0.455 0.000 2.096 520 Q HA -0.222 4.131 4.340 0.023 0.000 0.204 520 Q C 2.273 178.308 176.000 0.058 0.000 0.982 520 Q CA 1.412 56.985 55.803 -0.383 0.000 0.850 520 Q CB -0.155 28.100 28.738 -0.806 0.000 0.901 520 Q HN 0.010 nan 8.270 nan 0.000 0.422 521 R N 0.359 120.871 120.500 0.020 0.000 2.091 521 R HA -0.164 4.190 4.340 0.023 0.000 0.238 521 R C 1.698 178.192 176.300 0.323 0.000 1.136 521 R CA 1.910 58.119 56.100 0.182 0.000 0.959 521 R CB -0.469 29.923 30.300 0.153 0.000 0.856 521 R HN 0.474 nan 8.270 nan 0.000 0.437 522 H N -0.798 118.361 119.070 0.149 0.000 2.421 522 H HA -0.045 4.525 4.556 0.023 0.000 0.298 522 H C 2.038 177.478 175.328 0.187 0.000 1.087 522 H CA 1.253 57.404 56.048 0.171 0.000 1.330 522 H CB 0.015 29.883 29.762 0.176 0.000 1.388 522 H HN 0.209 nan 8.280 nan 0.000 0.526 523 I N 0.096 120.880 120.570 0.357 0.000 2.202 523 I HA -0.248 3.936 4.170 0.023 0.000 0.242 523 I C 2.373 178.775 176.117 0.475 0.000 1.091 523 I CA 0.731 62.271 61.300 0.400 0.000 1.368 523 I CB -0.135 38.194 38.000 0.550 0.000 1.058 523 I HN 0.062 nan 8.210 nan 0.000 0.410 524 V N 0.914 121.108 119.914 0.467 0.000 2.287 524 V HA -0.333 3.801 4.120 0.023 0.000 0.248 524 V C 2.065 178.335 176.094 0.294 0.000 1.053 524 V CA 2.140 64.664 62.300 0.375 0.000 1.027 524 V CB -0.664 31.335 31.823 0.293 0.000 0.646 524 V HN 0.419 nan 8.190 nan 0.000 0.447 525 D N 0.317 120.868 120.400 0.251 0.000 2.144 525 D HA -0.101 4.552 4.640 0.023 0.000 0.199 525 D C 2.163 178.533 176.300 0.116 0.000 0.984 525 D CA 1.549 55.658 54.000 0.181 0.000 0.834 525 D CB -0.595 40.310 40.800 0.175 0.000 0.955 525 D HN 0.480 nan 8.370 nan 0.000 0.465 526 G N -0.034 108.815 108.800 0.082 0.000 2.433 526 G HA2 -0.245 3.729 3.960 0.023 0.000 0.216 526 G HA3 -0.245 3.729 3.960 0.023 0.000 0.216 526 G C 1.466 176.359 174.900 -0.012 0.000 1.186 526 G CA 0.196 45.259 45.100 -0.063 0.000 0.779 526 G HN 0.163 nan 8.290 nan 0.000 0.543 527 F N 1.933 121.922 119.950 0.064 0.000 2.095 527 F HA -0.103 4.438 4.527 0.023 0.000 0.298 527 F C 3.180 178.887 175.800 -0.156 0.000 1.104 527 F CA 1.680 59.651 58.000 -0.050 0.000 1.232 527 F CB -0.423 38.558 39.000 -0.032 0.000 0.987 527 F HN 0.090 nan 8.300 nan 0.000 0.475 528 S N -0.124 115.662 115.700 0.145 0.000 2.368 528 S HA -0.216 4.268 4.470 0.023 0.000 0.225 528 S C 1.876 176.481 174.600 0.009 0.000 1.030 528 S CA 1.323 59.553 58.200 0.050 0.000 0.999 528 S CB -0.860 62.395 63.200 0.092 0.000 0.844 528 S HN 0.409 nan 8.310 nan 0.000 0.459 529 F N 2.616 122.513 119.950 -0.087 0.000 2.075 529 F HA -0.115 4.425 4.527 0.022 0.000 0.297 529 F C 2.403 178.128 175.800 -0.125 0.000 1.113 529 F CA 1.529 59.465 58.000 -0.107 0.000 1.218 529 F CB -0.275 38.594 39.000 -0.218 0.000 0.984 529 F HN 0.106 nan 8.300 nan 0.000 0.472 530 E N 0.668 120.785 120.200 -0.138 0.000 2.058 530 E HA -0.225 4.138 4.350 0.023 0.000 0.194 530 E C 2.362 178.727 176.600 -0.391 0.000 0.997 530 E CA 1.723 58.017 56.400 -0.176 0.000 0.801 530 E CB -0.572 29.189 29.700 0.103 0.000 0.746 530 E HN 0.490 nan 8.360 nan 0.000 0.450 531 L N 1.353 122.272 121.223 -0.506 0.000 2.201 531 L HA -0.138 4.215 4.340 0.023 0.000 0.212 531 L C 2.714 179.403 176.870 -0.302 0.000 1.105 531 L CA 1.133 55.667 54.840 -0.510 0.000 0.775 531 L CB -0.469 41.314 42.059 -0.459 0.000 0.913 531 L HN 0.145 nan 8.230 nan 0.000 0.440 532 S N -0.753 114.782 115.700 -0.275 0.000 2.447 532 S HA -0.108 4.375 4.470 0.023 0.000 0.233 532 S C 1.751 176.222 174.600 -0.215 0.000 1.006 532 S CA 0.612 58.682 58.200 -0.216 0.000 0.957 532 S CB -0.106 62.971 63.200 -0.205 0.000 0.773 532 S HN 0.260 nan 8.310 nan 0.000 0.507 533 K N 1.287 121.526 120.400 -0.268 0.000 2.404 533 K HA 0.342 4.675 4.320 0.023 0.000 0.194 533 K C -0.088 176.497 176.600 -0.024 0.000 1.023 533 K CA -0.045 56.152 56.287 -0.150 0.000 1.094 533 K CB -0.091 32.301 32.500 -0.180 0.000 0.841 533 K HN 0.328 nan 8.250 nan 0.000 0.523 534 V N 2.268 122.146 119.914 -0.060 0.000 2.427 534 V HA 0.006 4.139 4.120 0.023 0.000 0.268 534 V C 1.708 177.785 176.094 -0.028 0.000 1.046 534 V CA -0.095 62.198 62.300 -0.011 0.000 0.970 534 V CB 1.203 32.984 31.823 -0.070 0.000 1.001 534 V HN -0.125 nan 8.190 nan 0.000 0.476 535 V N 5.161 125.084 119.914 0.015 0.000 2.453 535 V HA -0.049 4.085 4.120 0.023 0.000 0.247 535 V C 1.322 177.407 176.094 -0.015 0.000 1.048 535 V CA 1.279 63.586 62.300 0.011 0.000 1.049 535 V CB -0.494 31.357 31.823 0.046 0.000 0.672 535 V HN 0.758 nan 8.190 nan 0.000 0.457 536 R N 0.843 121.311 120.500 -0.053 0.000 2.220 536 R HA 0.200 4.554 4.340 0.023 0.000 0.340 536 R C -1.702 174.493 176.300 -0.175 0.000 1.076 536 R CA -1.505 54.544 56.100 -0.086 0.000 0.920 536 R CB 0.600 30.802 30.300 -0.164 0.000 1.062 536 R HN 0.234 nan 8.270 nan 0.000 0.469 537 P HA -0.241 nan 4.420 nan 0.000 0.216 537 P C 0.823 178.090 177.300 -0.054 0.000 1.150 537 P CA 1.304 64.377 63.100 -0.044 0.000 0.843 537 P CB -0.033 31.678 31.700 0.018 0.000 0.787 538 Y N -1.223 119.076 120.300 -0.002 0.000 2.274 538 Y HA -0.119 4.445 4.550 0.022 0.000 0.290 538 Y C 1.970 177.874 175.900 0.006 0.000 1.145 538 Y CA 0.803 58.903 58.100 -0.001 0.000 1.203 538 Y CB -1.756 36.704 38.460 0.001 0.000 0.984 538 Y HN -0.098 nan 8.280 nan 0.000 0.533 539 I N 0.887 121.009 120.570 -0.747 0.000 2.226 539 I HA -0.262 3.922 4.170 0.023 0.000 0.245 539 I C 2.558 178.578 176.117 -0.162 0.000 1.100 539 I CA 1.441 62.492 61.300 -0.416 0.000 1.374 539 I CB -0.398 37.353 38.000 -0.415 0.000 1.057 539 I HN 0.207 nan 8.210 nan 0.000 0.413 540 R N 0.846 121.244 120.500 -0.169 0.000 2.083 540 R HA -0.201 4.152 4.340 0.023 0.000 0.237 540 R C 2.136 178.383 176.300 -0.087 0.000 1.137 540 R CA 1.652 57.668 56.100 -0.139 0.000 0.951 540 R CB -0.490 29.728 30.300 -0.135 0.000 0.851 540 R HN 0.477 nan 8.270 nan 0.000 0.434 541 E N 0.475 120.647 120.200 -0.047 0.000 2.077 541 E HA -0.170 4.193 4.350 0.023 0.000 0.193 541 E C 2.158 178.761 176.600 0.005 0.000 0.989 541 E CA 1.015 57.408 56.400 -0.011 0.000 0.800 541 E CB -0.080 29.637 29.700 0.029 0.000 0.746 541 E HN 0.289 nan 8.360 nan 0.000 0.452 542 R N 0.395 120.913 120.500 0.029 0.000 2.096 542 R HA -0.105 4.249 4.340 0.023 0.000 0.235 542 R C 2.384 178.704 176.300 0.034 0.000 1.127 542 R CA 1.081 57.209 56.100 0.048 0.000 0.968 542 R CB -0.199 30.148 30.300 0.080 0.000 0.861 542 R HN 0.070 nan 8.270 nan 0.000 0.440 543 V N 0.168 120.095 119.914 0.022 0.000 2.453 543 V HA -0.166 3.968 4.120 0.023 0.000 0.247 543 V C 2.278 178.350 176.094 -0.037 0.000 1.048 543 V CA 1.283 63.608 62.300 0.042 0.000 1.049 543 V CB -0.213 31.650 31.823 0.066 0.000 0.672 543 V HN 0.104 nan 8.190 nan 0.000 0.457 544 V N 0.748 120.617 119.914 -0.075 0.000 2.332 544 V HA -0.331 3.803 4.120 0.023 0.000 0.248 544 V C 2.317 178.370 176.094 -0.068 0.000 1.055 544 V CA 2.556 64.791 62.300 -0.108 0.000 1.038 544 V CB -0.670 31.096 31.823 -0.095 0.000 0.651 544 V HN 0.671 nan 8.190 nan 0.000 0.450 545 D N -0.928 119.464 120.400 -0.012 0.000 2.117 545 D HA -0.197 4.456 4.640 0.023 0.000 0.197 545 D C 2.267 178.640 176.300 0.122 0.000 0.987 545 D CA 1.133 55.160 54.000 0.045 0.000 0.829 545 D CB -0.016 40.826 40.800 0.070 0.000 0.961 545 D HN 0.324 nan 8.370 nan 0.000 0.460 546 Q N -0.096 119.740 119.800 0.060 0.000 2.084 546 Q HA -0.102 4.251 4.340 0.023 0.000 0.202 546 Q C 2.578 178.596 176.000 0.030 0.000 0.978 546 Q CA 0.757 56.592 55.803 0.053 0.000 0.844 546 Q CB -0.372 28.421 28.738 0.091 0.000 0.898 546 Q HN 0.464 nan 8.270 nan 0.000 0.426 547 L N 0.090 121.274 121.223 -0.063 0.000 2.131 547 L HA -0.137 4.216 4.340 0.023 0.000 0.210 547 L C 2.315 179.074 176.870 -0.185 0.000 1.092 547 L CA 0.962 55.691 54.840 -0.185 0.000 0.759 547 L CB -0.636 41.206 42.059 -0.361 0.000 0.903 547 L HN 0.101 nan 8.230 nan 0.000 0.435 548 A N -0.884 121.855 122.820 -0.136 0.000 2.121 548 A HA -0.180 4.154 4.320 0.023 0.000 0.218 548 A C 1.719 179.145 177.584 -0.263 0.000 1.154 548 A CA 1.098 53.025 52.037 -0.184 0.000 0.679 548 A CB -0.674 18.226 19.000 -0.166 0.000 0.795 548 A HN 0.433 nan 8.150 nan 0.000 0.458 549 H N -1.155 117.705 119.070 -0.351 0.000 2.548 549 H HA 0.256 4.826 4.556 0.023 0.000 0.268 549 H C 1.572 176.624 175.328 -0.460 0.000 0.975 549 H CA 0.947 56.661 56.048 -0.555 0.000 1.195 549 H CB 0.069 29.090 29.762 -1.235 0.000 1.397 549 H HN 0.501 nan 8.280 nan 0.000 0.572 550 I N -1.134 119.334 120.570 -0.170 0.000 2.685 550 I HA 0.073 4.256 4.170 0.023 0.000 0.251 550 I C -0.102 175.941 176.117 -0.123 0.000 1.102 550 I CA 0.506 61.770 61.300 -0.060 0.000 1.442 550 I CB 0.634 38.630 38.000 -0.007 0.000 1.194 550 I HN 0.100 nan 8.210 nan 0.000 0.448 551 D N -0.836 119.420 120.400 -0.239 0.000 2.878 551 D HA 0.182 4.836 4.640 0.023 0.000 0.211 551 D C 0.258 176.393 176.300 -0.275 0.000 1.271 551 D CA -0.400 53.439 54.000 -0.269 0.000 0.845 551 D CB 1.367 41.873 40.800 -0.491 0.000 1.679 551 D HN -0.186 nan 8.370 nan 0.000 0.536 552 L N 2.556 123.678 121.223 -0.169 0.000 2.093 552 L HA -0.046 4.308 4.340 0.023 0.000 0.208 552 L C 1.740 178.531 176.870 -0.133 0.000 1.085 552 L CA 1.765 56.519 54.840 -0.143 0.000 0.755 552 L CB -0.973 41.030 42.059 -0.093 0.000 0.904 552 L HN 0.636 nan 8.230 nan 0.000 0.435 553 T N 0.195 114.694 114.554 -0.092 0.000 2.708 553 T HA -0.200 4.164 4.350 0.023 0.000 0.266 553 T C 1.985 176.618 174.700 -0.113 0.000 1.037 553 T CA 0.966 63.054 62.100 -0.020 0.000 1.146 553 T CB -0.226 68.729 68.868 0.145 0.000 0.865 553 T HN 0.217 nan 8.240 nan 0.000 0.435 554 L N 0.892 121.870 121.223 -0.409 0.000 1.970 554 L HA -0.166 4.188 4.340 0.023 0.000 0.212 554 L C 2.841 179.483 176.870 -0.380 0.000 1.071 554 L CA 2.081 56.524 54.840 -0.662 0.000 0.751 554 L CB -0.909 40.379 42.059 -1.286 0.000 0.889 554 L HN 0.309 nan 8.230 nan 0.000 0.432 555 A N -0.608 122.002 122.820 -0.351 0.000 1.908 555 A HA -0.294 4.040 4.320 0.023 0.000 0.218 555 A C 2.052 179.536 177.584 -0.166 0.000 1.181 555 A CA 1.938 53.820 52.037 -0.258 0.000 0.627 555 A CB -0.606 18.262 19.000 -0.219 0.000 0.818 555 A HN 0.665 nan 8.150 nan 0.000 0.445 556 Q N -0.831 118.893 119.800 -0.127 0.000 2.050 556 Q HA -0.110 4.244 4.340 0.023 0.000 0.202 556 Q C 2.467 178.438 176.000 -0.048 0.000 0.980 556 Q CA 1.405 57.164 55.803 -0.073 0.000 0.840 556 Q CB -0.391 28.318 28.738 -0.048 0.000 0.898 556 Q HN 0.693 nan 8.270 nan 0.000 0.424 557 A N 0.313 123.112 122.820 -0.035 0.000 1.902 557 A HA -0.133 4.201 4.320 0.023 0.000 0.217 557 A C 2.320 179.906 177.584 0.003 0.000 1.181 557 A CA 1.326 53.370 52.037 0.012 0.000 0.623 557 A CB -0.612 18.427 19.000 0.064 0.000 0.818 557 A HN 0.209 nan 8.150 nan 0.000 0.443 558 V N -0.227 119.660 119.914 -0.044 0.000 2.307 558 V HA -0.197 3.936 4.120 0.023 0.000 0.245 558 V C 3.066 179.127 176.094 -0.056 0.000 1.045 558 V CA 1.768 64.038 62.300 -0.050 0.000 1.024 558 V CB -1.264 30.475 31.823 -0.139 0.000 0.651 558 V HN 0.610 nan 8.190 nan 0.000 0.449 559 A N 0.103 122.878 122.820 -0.075 0.000 1.892 559 A HA -0.339 3.995 4.320 0.023 0.000 0.218 559 A C 2.319 179.883 177.584 -0.033 0.000 1.188 559 A CA 2.569 54.570 52.037 -0.060 0.000 0.631 559 A CB -0.596 18.367 19.000 -0.062 0.000 0.822 559 A HN 0.546 nan 8.150 nan 0.000 0.447 560 K N -0.497 119.892 120.400 -0.019 0.000 2.032 560 K HA -0.216 4.118 4.320 0.023 0.000 0.209 560 K C 1.645 178.248 176.600 0.007 0.000 1.048 560 K CA 1.778 58.063 56.287 -0.002 0.000 0.927 560 K CB -0.239 32.267 32.500 0.009 0.000 0.712 560 K HN 0.445 nan 8.250 nan 0.000 0.441 561 N N 0.593 119.301 118.700 0.013 0.000 2.364 561 N HA -0.124 4.630 4.740 0.023 0.000 0.183 561 N C 1.189 176.702 175.510 0.006 0.000 1.022 561 N CA 0.952 54.017 53.050 0.024 0.000 0.883 561 N CB 0.040 38.553 38.487 0.043 0.000 0.965 561 N HN 0.293 nan 8.380 nan 0.000 0.438 562 L N -0.848 120.366 121.223 -0.016 0.000 2.667 562 L HA 0.270 4.623 4.340 0.023 0.000 0.232 562 L C 0.924 177.781 176.870 -0.023 0.000 1.138 562 L CA -0.147 54.675 54.840 -0.031 0.000 0.921 562 L CB -0.066 41.958 42.059 -0.058 0.000 1.180 562 L HN 0.054 nan 8.230 nan 0.000 0.487 563 G N 1.582 110.375 108.800 -0.012 0.000 2.249 563 G HA2 -0.292 3.682 3.960 0.023 0.000 0.273 563 G HA3 -0.292 3.682 3.960 0.023 0.000 0.273 563 G C 0.007 174.900 174.900 -0.012 0.000 1.036 563 G CA 0.171 45.267 45.100 -0.007 0.000 0.824 563 G HN 0.342 nan 8.290 nan 0.000 0.504 564 I N -0.073 120.485 120.570 -0.020 0.000 2.441 564 I HA 0.393 4.577 4.170 0.023 0.000 0.295 564 I C 0.254 176.357 176.117 -0.023 0.000 0.994 564 I CA -0.696 60.591 61.300 -0.023 0.000 1.144 564 I CB 1.643 39.623 38.000 -0.034 0.000 1.314 564 I HN 0.084 nan 8.210 nan 0.000 0.445 565 E N 6.130 126.318 120.200 -0.019 0.000 2.151 565 E HA 0.440 4.804 4.350 0.023 0.000 0.275 565 E C -0.998 175.587 176.600 -0.026 0.000 0.936 565 E CA -0.703 55.684 56.400 -0.020 0.000 0.777 565 E CB 1.820 31.511 29.700 -0.014 0.000 1.108 565 E HN 0.408 nan 8.360 nan 0.000 0.401 566 L N 2.825 124.027 121.223 -0.034 0.000 2.426 566 L HA 0.125 4.479 4.340 0.023 0.000 0.271 566 L C 1.124 177.973 176.870 -0.034 0.000 1.169 566 L CA -0.259 54.557 54.840 -0.041 0.000 0.836 566 L CB 0.166 42.191 42.059 -0.055 0.000 1.112 566 L HN 0.646 nan 8.230 nan 0.000 0.465 567 T N -2.401 112.133 114.554 -0.034 0.000 2.788 567 T HA 0.054 4.417 4.350 0.023 0.000 0.287 567 T C 0.771 175.450 174.700 -0.036 0.000 1.007 567 T CA -0.776 61.306 62.100 -0.029 0.000 1.005 567 T CB 1.013 69.867 68.868 -0.024 0.000 1.012 567 T HN 0.506 nan 8.240 nan 0.000 0.530 568 D N 0.386 120.768 120.400 -0.030 0.000 2.144 568 D HA -0.082 4.572 4.640 0.023 0.000 0.199 568 D C 1.646 177.921 176.300 -0.042 0.000 0.984 568 D CA 1.077 55.057 54.000 -0.033 0.000 0.834 568 D CB -0.269 40.516 40.800 -0.024 0.000 0.955 568 D HN 0.583 nan 8.370 nan 0.000 0.465 569 D N 0.599 120.974 120.400 -0.041 0.000 2.144 569 D HA -0.116 4.538 4.640 0.023 0.000 0.199 569 D C 2.079 178.329 176.300 -0.083 0.000 0.984 569 D CA 0.721 54.689 54.000 -0.052 0.000 0.834 569 D CB -0.179 40.598 40.800 -0.038 0.000 0.955 569 D HN 0.321 nan 8.370 nan 0.000 0.465 570 Q N -0.232 119.518 119.800 -0.083 0.000 2.119 570 Q HA 0.000 4.354 4.340 0.023 0.000 0.201 570 Q C 2.317 178.241 176.000 -0.126 0.000 0.972 570 Q CA 0.551 56.283 55.803 -0.117 0.000 0.847 570 Q CB 0.016 28.701 28.738 -0.088 0.000 0.903 570 Q HN 0.300 nan 8.270 nan 0.000 0.433 571 L N 0.617 121.786 121.223 -0.090 0.000 2.362 571 L HA -0.118 4.236 4.340 0.023 0.000 0.219 571 L C 1.160 177.981 176.870 -0.083 0.000 1.134 571 L CA 0.428 55.220 54.840 -0.081 0.000 0.807 571 L CB -0.100 41.926 42.059 -0.056 0.000 0.927 571 L HN 0.204 nan 8.230 nan 0.000 0.447 572 N N -0.213 118.435 118.700 -0.087 0.000 2.230 572 N HA 0.227 4.981 4.740 0.023 0.000 0.202 572 N C 0.331 175.777 175.510 -0.106 0.000 1.119 572 N CA 0.061 53.063 53.050 -0.079 0.000 0.851 572 N CB 0.461 38.913 38.487 -0.059 0.000 0.990 572 N HN 0.211 nan 8.380 nan 0.000 0.497 573 I N 1.336 121.808 120.570 -0.163 0.000 2.587 573 I HA -0.072 4.112 4.170 0.023 0.000 0.284 573 I C 1.112 177.129 176.117 -0.166 0.000 1.134 573 I CA 0.297 61.461 61.300 -0.227 0.000 1.410 573 I CB 0.352 38.086 38.000 -0.444 0.000 1.392 573 I HN -0.114 nan 8.210 nan 0.000 0.545 574 T N 8.173 122.658 114.554 -0.115 0.000 2.870 574 T HA 0.206 4.569 4.350 0.023 0.000 0.300 574 T C -2.116 172.545 174.700 -0.065 0.000 0.989 574 T CA -1.220 60.840 62.100 -0.067 0.000 1.139 574 T CB 0.434 69.284 68.868 -0.031 0.000 0.920 574 T HN 0.315 nan 8.240 nan 0.000 0.537 575 P HA 0.239 nan 4.420 nan 0.000 0.267 575 P C -2.453 174.861 177.300 0.023 0.000 1.200 575 P CA -1.242 61.845 63.100 -0.022 0.000 0.772 575 P CB -0.402 31.296 31.700 -0.004 0.000 0.855 576 P HA 0.235 nan 4.420 nan 0.000 0.272 576 P C -2.483 174.871 177.300 0.089 0.000 1.230 576 P CA -1.389 61.779 63.100 0.112 0.000 0.788 576 P CB -0.942 30.874 31.700 0.193 0.000 0.949 577 P HA 0.079 nan 4.420 nan 0.000 0.270 577 P C -0.164 177.182 177.300 0.076 0.000 1.223 577 P CA 0.187 63.331 63.100 0.075 0.000 0.785 577 P CB 0.192 31.938 31.700 0.077 0.000 0.923 578 D N -0.216 120.221 120.400 0.063 0.000 2.354 578 D HA 0.030 4.683 4.640 0.023 0.000 0.238 578 D C -0.076 176.265 176.300 0.069 0.000 1.250 578 D CA 0.143 54.175 54.000 0.054 0.000 0.911 578 D CB 0.283 41.111 40.800 0.047 0.000 1.163 578 D HN -0.020 nan 8.370 nan 0.000 0.456 579 V N 2.094 122.038 119.914 0.049 0.000 2.320 579 V HA 0.056 4.189 4.120 0.023 0.000 0.265 579 V C 0.183 176.367 176.094 0.150 0.000 1.048 579 V CA -0.416 61.937 62.300 0.090 0.000 0.865 579 V CB -0.500 31.274 31.823 -0.081 0.000 1.043 579 V HN 0.586 nan 8.190 nan 0.000 0.474 580 N N 4.400 123.205 118.700 0.175 0.000 2.725 580 N HA -0.220 4.533 4.740 0.023 0.000 0.251 580 N C 1.179 176.749 175.510 0.100 0.000 1.031 580 N CA 1.010 54.148 53.050 0.147 0.000 0.720 580 N CB -0.902 37.717 38.487 0.220 0.000 0.930 580 N HN 1.256 nan 8.380 nan 0.000 0.543 581 G N -2.419 106.426 108.800 0.075 0.000 2.184 581 G HA2 -0.327 3.647 3.960 0.023 0.000 0.264 581 G HA3 -0.327 3.647 3.960 0.023 0.000 0.264 581 G C -0.042 174.887 174.900 0.048 0.000 0.975 581 G CA 0.299 45.431 45.100 0.054 0.000 0.642 581 G HN 0.348 nan 8.290 nan 0.000 0.536 582 L N 0.517 121.772 121.223 0.055 0.000 2.290 582 L HA 0.509 4.863 4.340 0.023 0.000 0.284 582 L C 1.317 178.201 176.870 0.024 0.000 1.078 582 L CA 0.318 55.181 54.840 0.039 0.000 0.815 582 L CB 1.404 43.489 42.059 0.043 0.000 1.162 582 L HN 0.148 nan 8.230 nan 0.000 0.435 583 K N 3.207 123.616 120.400 0.015 0.000 2.358 583 K HA 0.152 4.486 4.320 0.023 0.000 0.197 583 K C -0.324 176.271 176.600 -0.009 0.000 1.025 583 K CA 0.082 56.375 56.287 0.010 0.000 1.104 583 K CB 0.473 32.979 32.500 0.010 0.000 0.855 583 K HN 0.658 nan 8.250 nan 0.000 0.531 584 K N -0.227 120.163 120.400 -0.016 0.000 2.818 584 K HA 0.130 4.463 4.320 0.023 0.000 0.287 584 K C -2.397 174.188 176.600 -0.025 0.000 1.061 584 K CA -0.832 55.430 56.287 -0.042 0.000 0.858 584 K CB 1.350 33.808 32.500 -0.070 0.000 1.456 584 K HN -0.218 nan 8.250 nan 0.000 0.364 585 D N 2.769 123.149 120.400 -0.034 0.000 2.478 585 D HA 0.310 4.964 4.640 0.023 0.000 0.240 585 D C -2.166 174.122 176.300 -0.019 0.000 1.364 585 D CA -1.954 52.046 54.000 0.001 0.000 0.987 585 D CB 2.231 43.055 40.800 0.040 0.000 1.328 585 D HN 0.292 nan 8.370 nan 0.000 0.584 586 P HA -0.108 nan 4.420 nan 0.000 0.223 586 P C 1.303 178.602 177.300 -0.003 0.000 1.144 586 P CA 0.849 63.926 63.100 -0.038 0.000 0.783 586 P CB 0.216 31.903 31.700 -0.022 0.000 0.771 587 S N -0.972 114.759 115.700 0.052 0.000 2.474 587 S HA -0.066 4.417 4.470 0.023 0.000 0.235 587 S C 1.712 176.404 174.600 0.154 0.000 0.997 587 S CA 0.796 59.063 58.200 0.113 0.000 0.949 587 S CB -1.421 61.871 63.200 0.154 0.000 0.766 587 S HN 0.147 nan 8.310 nan 0.000 0.517 588 L N 1.313 122.596 121.223 0.101 0.000 2.395 588 L HA 0.177 4.530 4.340 0.023 0.000 0.218 588 L C 1.522 178.324 176.870 -0.114 0.000 1.130 588 L CA 0.208 55.111 54.840 0.106 0.000 0.826 588 L CB -0.387 41.718 42.059 0.077 0.000 0.941 588 L HN 0.328 nan 8.230 nan 0.000 0.451 589 S N -0.464 115.140 115.700 -0.159 0.000 2.586 589 S HA 0.293 4.777 4.470 0.023 0.000 0.274 589 S C 1.045 175.540 174.600 -0.175 0.000 1.281 589 S CA -0.626 57.423 58.200 -0.251 0.000 1.035 589 S CB 1.415 64.463 63.200 -0.253 0.000 0.962 589 S HN 0.154 nan 8.310 nan 0.000 0.512 590 L N 2.947 123.983 121.223 -0.310 0.000 2.131 590 L HA 0.042 4.396 4.340 0.023 0.000 0.206 590 L C 0.904 177.506 176.870 -0.448 0.000 1.087 590 L CA 1.087 55.642 54.840 -0.475 0.000 0.767 590 L CB -0.246 41.214 42.059 -0.998 0.000 0.917 590 L HN 0.768 nan 8.230 nan 0.000 0.441 591 Y N -2.187 118.124 120.300 0.019 0.000 2.453 591 Y HA 0.335 4.899 4.550 0.023 0.000 0.247 591 Y C 2.140 178.070 175.900 0.049 0.000 1.124 591 Y CA -0.170 57.989 58.100 0.098 0.000 1.243 591 Y CB -0.527 38.035 38.460 0.171 0.000 1.213 591 Y HN -0.030 nan 8.280 nan 0.000 0.523 592 A N 0.667 123.517 122.820 0.050 0.000 1.892 592 A HA -0.125 4.209 4.320 0.023 0.000 0.218 592 A C 0.954 178.575 177.584 0.062 0.000 1.188 592 A CA 1.311 53.351 52.037 0.005 0.000 0.631 592 A CB -0.579 18.371 19.000 -0.084 0.000 0.822 592 A HN 0.155 nan 8.150 nan 0.000 0.447 593 I N 1.371 121.983 120.570 0.070 0.000 2.306 593 I HA 0.248 4.432 4.170 0.023 0.000 0.288 593 I C -2.436 173.752 176.117 0.117 0.000 1.036 593 I CA -2.984 58.364 61.300 0.080 0.000 1.221 593 I CB 0.454 38.491 38.000 0.062 0.000 1.385 593 I HN 0.077 nan 8.210 nan 0.000 0.472 594 P HA 0.052 nan 4.420 nan 0.000 0.260 594 P C -0.126 177.246 177.300 0.121 0.000 1.172 594 P CA 0.356 63.547 63.100 0.151 0.000 0.760 594 P CB 0.591 32.367 31.700 0.126 0.000 0.773 595 D N 1.058 121.537 120.400 0.132 0.000 2.822 595 D HA 0.106 4.759 4.640 0.023 0.000 0.327 595 D C 0.466 176.823 176.300 0.094 0.000 1.577 595 D CA -0.477 53.583 54.000 0.100 0.000 0.785 595 D CB -0.488 40.368 40.800 0.093 0.000 1.199 595 D HN 0.304 nan 8.370 nan 0.000 0.443 596 G N 0.236 109.101 108.800 0.108 0.000 2.398 596 G HA2 0.349 4.323 3.960 0.023 0.000 0.246 596 G HA3 0.349 4.323 3.960 0.023 0.000 0.246 596 G C -0.659 174.276 174.900 0.058 0.000 1.289 596 G CA -0.025 45.132 45.100 0.095 0.000 0.869 596 G HN 0.176 nan 8.290 nan 0.000 0.543 597 D N 1.578 122.003 120.400 0.042 0.000 2.696 597 D HA 0.217 4.870 4.640 0.023 0.000 0.251 597 D C 0.583 176.891 176.300 0.014 0.000 1.188 597 D CA -0.652 53.360 54.000 0.020 0.000 0.876 597 D CB 2.056 42.860 40.800 0.007 0.000 1.334 597 D HN 0.046 nan 8.370 nan 0.000 0.540 598 V N 3.876 123.792 119.914 0.004 0.000 3.052 598 V HA 0.034 4.168 4.120 0.023 0.000 0.254 598 V C 1.204 177.276 176.094 -0.036 0.000 1.100 598 V CA 0.607 62.903 62.300 -0.006 0.000 1.112 598 V CB -0.331 31.487 31.823 -0.009 0.000 0.738 598 V HN 0.472 nan 8.190 nan 0.000 0.469 599 K N 0.183 120.553 120.400 -0.049 0.000 2.484 599 K HA 0.266 4.600 4.320 0.023 0.000 0.280 599 K C 1.137 177.689 176.600 -0.079 0.000 1.013 599 K CA 0.994 57.229 56.287 -0.087 0.000 1.029 599 K CB 0.216 32.672 32.500 -0.074 0.000 0.902 599 K HN 0.373 nan 8.250 nan 0.000 0.481 600 G N 3.250 111.969 108.800 -0.134 0.000 2.213 600 G HA2 -0.211 3.763 3.960 0.023 0.000 0.236 600 G HA3 -0.211 3.763 3.960 0.023 0.000 0.236 600 G C 0.101 175.030 174.900 0.049 0.000 0.991 600 G CA -0.254 44.837 45.100 -0.015 0.000 0.629 600 G HN 0.567 nan 8.290 nan 0.000 0.517 601 R N -0.080 120.421 120.500 0.002 0.000 2.738 601 R HA 0.696 5.050 4.340 0.023 0.000 0.275 601 R C 0.061 176.410 176.300 0.081 0.000 1.121 601 R CA -0.004 56.132 56.100 0.060 0.000 1.207 601 R CB 0.861 31.191 30.300 0.051 0.000 1.141 601 R HN 0.672 nan 8.270 nan 0.000 0.571 602 V N 0.165 120.149 119.914 0.117 0.000 2.925 602 V HA 0.479 4.613 4.120 0.023 0.000 0.311 602 V C -1.195 174.963 176.094 0.108 0.000 1.104 602 V CA -0.744 61.639 62.300 0.139 0.000 0.954 602 V CB 2.582 34.516 31.823 0.186 0.000 1.022 602 V HN 0.356 nan 8.190 nan 0.000 0.427 603 V N 5.169 125.143 119.914 0.100 0.000 2.540 603 V HA 0.807 4.940 4.120 0.023 0.000 0.302 603 V C 0.385 176.535 176.094 0.094 0.000 1.035 603 V CA -0.251 62.099 62.300 0.082 0.000 0.873 603 V CB 1.639 33.497 31.823 0.058 0.000 0.992 603 V HN 1.182 nan 8.190 nan 0.000 0.428 604 A N 5.866 128.748 122.820 0.104 0.000 2.328 604 A HA 0.796 5.129 4.320 0.023 0.000 0.284 604 A C -0.456 177.140 177.584 0.021 0.000 1.160 604 A CA -0.238 51.851 52.037 0.086 0.000 0.818 604 A CB 0.102 19.192 19.000 0.150 0.000 1.087 604 A HN 0.779 nan 8.150 nan 0.000 0.504 605 I N 3.560 124.137 120.570 0.012 0.000 2.382 605 I HA 0.204 4.387 4.170 0.023 0.000 0.285 605 I C -0.660 175.463 176.117 0.010 0.000 1.007 605 I CA -0.185 61.121 61.300 0.011 0.000 1.142 605 I CB 1.340 39.359 38.000 0.032 0.000 1.289 605 I HN 0.491 nan 8.210 nan 0.000 0.453 606 L N 7.232 128.442 121.223 -0.022 0.000 2.283 606 L HA 0.427 4.780 4.340 0.023 0.000 0.287 606 L C -0.019 176.941 176.870 0.149 0.000 1.073 606 L CA -0.286 54.592 54.840 0.062 0.000 0.822 606 L CB 0.133 42.070 42.059 -0.204 0.000 1.186 606 L HN 0.452 nan 8.230 nan 0.000 0.436 607 L N 3.580 124.951 121.223 0.248 0.000 2.454 607 L HA 0.418 4.771 4.340 0.023 0.000 0.256 607 L C 0.054 177.097 176.870 0.289 0.000 1.136 607 L CA -0.511 54.426 54.840 0.162 0.000 0.804 607 L CB 1.215 43.281 42.059 0.011 0.000 1.181 607 L HN 0.717 nan 8.230 nan 0.000 0.469 608 N N -2.501 116.263 118.700 0.108 0.000 2.697 608 N HA 0.218 4.971 4.740 0.023 0.000 0.272 608 N C -0.429 175.042 175.510 -0.064 0.000 1.381 608 N CA -0.760 52.394 53.050 0.173 0.000 0.797 608 N CB 0.766 39.356 38.487 0.172 0.000 1.523 608 N HN 0.524 nan 8.380 nan 0.000 0.518 609 D N -1.489 118.911 120.400 0.000 0.000 2.378 609 D HA -0.085 4.568 4.640 0.023 0.000 0.227 609 D C -0.351 175.913 176.300 -0.061 0.000 1.012 609 D CA 0.896 54.843 54.000 -0.088 0.000 0.905 609 D CB -0.033 40.780 40.800 0.022 0.000 0.895 609 D HN 0.725 nan 8.370 nan 0.000 0.532 610 E N 0.482 120.663 120.200 -0.032 0.000 3.909 610 E HA 0.181 4.544 4.350 0.023 0.000 0.236 610 E C -1.026 175.559 176.600 -0.026 0.000 1.222 610 E CA -0.329 56.053 56.400 -0.030 0.000 1.205 610 E CB 1.236 30.928 29.700 -0.014 0.000 1.249 610 E HN -0.091 nan 8.360 nan 0.000 0.411 611 V N 1.699 121.590 119.914 -0.039 0.000 2.763 611 V HA 0.015 4.149 4.120 0.023 0.000 0.306 611 V C 0.985 177.060 176.094 -0.032 0.000 1.059 611 V CA 0.389 62.670 62.300 -0.030 0.000 1.138 611 V CB 0.741 32.541 31.823 -0.039 0.000 0.940 611 V HN 0.435 nan 8.190 nan 0.000 0.489 612 R N 3.240 123.721 120.500 -0.032 0.000 2.413 612 R HA 0.019 4.372 4.340 0.023 0.000 0.333 612 R C 1.651 177.925 176.300 -0.042 0.000 1.074 612 R CA 0.490 56.567 56.100 -0.039 0.000 0.982 612 R CB 0.259 30.529 30.300 -0.050 0.000 0.981 612 R HN 1.031 nan 8.270 nan 0.000 0.452 613 S N 3.299 118.977 115.700 -0.037 0.000 2.387 613 S HA -0.255 4.229 4.470 0.023 0.000 0.230 613 S C 1.973 176.552 174.600 -0.036 0.000 1.035 613 S CA 1.088 59.268 58.200 -0.034 0.000 1.014 613 S CB -0.148 63.034 63.200 -0.029 0.000 0.836 613 S HN 0.694 nan 8.310 nan 0.000 0.466 614 A N 2.111 124.906 122.820 -0.040 0.000 1.933 614 A HA -0.110 4.223 4.320 0.023 0.000 0.218 614 A C 1.975 179.524 177.584 -0.059 0.000 1.175 614 A CA 1.676 53.687 52.037 -0.044 0.000 0.628 614 A CB -0.806 18.167 19.000 -0.045 0.000 0.814 614 A HN 0.485 nan 8.150 nan 0.000 0.444 615 D N -0.080 120.274 120.400 -0.077 0.000 2.097 615 D HA -0.091 4.563 4.640 0.023 0.000 0.197 615 D C 1.988 178.247 176.300 -0.067 0.000 0.984 615 D CA 0.770 54.704 54.000 -0.109 0.000 0.826 615 D CB -0.352 40.365 40.800 -0.138 0.000 0.973 615 D HN 0.377 nan 8.370 nan 0.000 0.460 616 L N 0.433 121.629 121.223 -0.044 0.000 2.013 616 L HA -0.197 4.157 4.340 0.023 0.000 0.212 616 L C 2.553 179.415 176.870 -0.014 0.000 1.073 616 L CA 0.904 55.730 54.840 -0.022 0.000 0.753 616 L CB -0.389 41.657 42.059 -0.021 0.000 0.890 616 L HN 0.115 nan 8.230 nan 0.000 0.432 617 L N -0.663 120.549 121.223 -0.019 0.000 2.013 617 L HA -0.266 4.088 4.340 0.023 0.000 0.212 617 L C 2.840 179.707 176.870 -0.005 0.000 1.073 617 L CA 1.525 56.358 54.840 -0.011 0.000 0.753 617 L CB -0.777 41.274 42.059 -0.015 0.000 0.890 617 L HN 0.292 nan 8.230 nan 0.000 0.432 618 A N 0.079 122.892 122.820 -0.013 0.000 1.902 618 A HA -0.168 4.166 4.320 0.023 0.000 0.217 618 A C 2.185 179.783 177.584 0.023 0.000 1.181 618 A CA 1.525 53.561 52.037 -0.001 0.000 0.623 618 A CB -0.619 18.369 19.000 -0.020 0.000 0.818 618 A HN 0.351 nan 8.150 nan 0.000 0.443 619 I N -0.360 120.223 120.570 0.022 0.000 2.142 619 I HA -0.255 3.928 4.170 0.023 0.000 0.240 619 I C 2.411 178.554 176.117 0.043 0.000 1.078 619 I CA 1.250 62.584 61.300 0.057 0.000 1.343 619 I CB -0.384 37.651 38.000 0.058 0.000 1.046 619 I HN 0.275 nan 8.210 nan 0.000 0.405 620 L N 0.376 121.616 121.223 0.028 0.000 2.046 620 L HA -0.213 4.140 4.340 0.023 0.000 0.208 620 L C 2.604 179.487 176.870 0.021 0.000 1.077 620 L CA 1.400 56.255 54.840 0.026 0.000 0.747 620 L CB -0.558 41.514 42.059 0.021 0.000 0.896 620 L HN 0.217 nan 8.230 nan 0.000 0.432 621 K N 0.190 120.600 120.400 0.017 0.000 2.097 621 K HA -0.121 4.212 4.320 0.023 0.000 0.205 621 K C 2.168 178.776 176.600 0.013 0.000 1.050 621 K CA 1.085 57.380 56.287 0.013 0.000 0.938 621 K CB -0.009 32.496 32.500 0.009 0.000 0.718 621 K HN 0.263 nan 8.250 nan 0.000 0.442 622 A N 1.166 123.998 122.820 0.021 0.000 1.898 622 A HA -0.111 4.223 4.320 0.023 0.000 0.216 622 A C 2.036 179.626 177.584 0.009 0.000 1.181 622 A CA 1.083 53.133 52.037 0.021 0.000 0.620 622 A CB -0.497 18.526 19.000 0.039 0.000 0.819 622 A HN 0.254 nan 8.150 nan 0.000 0.442 623 L N -0.710 120.520 121.223 0.012 0.000 2.027 623 L HA -0.164 4.190 4.340 0.023 0.000 0.206 623 L C 2.696 179.548 176.870 -0.029 0.000 1.074 623 L CA 1.592 56.428 54.840 -0.006 0.000 0.745 623 L CB -0.478 41.586 42.059 0.009 0.000 0.898 623 L HN 0.336 nan 8.230 nan 0.000 0.433 624 K N 0.840 121.233 120.400 -0.012 0.000 2.097 624 K HA -0.164 4.169 4.320 0.023 0.000 0.206 624 K C 2.011 178.596 176.600 -0.025 0.000 1.049 624 K CA 1.548 57.826 56.287 -0.015 0.000 0.933 624 K CB -0.101 32.404 32.500 0.008 0.000 0.717 624 K HN 0.266 nan 8.250 nan 0.000 0.442 625 A N 1.239 124.050 122.820 -0.016 0.000 2.019 625 A HA -0.107 4.227 4.320 0.023 0.000 0.219 625 A C 1.627 179.195 177.584 -0.027 0.000 1.164 625 A CA 1.370 53.398 52.037 -0.015 0.000 0.644 625 A CB -0.086 18.911 19.000 -0.006 0.000 0.805 625 A HN 0.170 nan 8.150 nan 0.000 0.449 626 K N -1.345 119.032 120.400 -0.038 0.000 2.373 626 K HA 0.239 4.573 4.320 0.023 0.000 0.202 626 K C 0.893 177.442 176.600 -0.084 0.000 1.025 626 K CA 0.564 56.823 56.287 -0.048 0.000 1.115 626 K CB -0.008 32.469 32.500 -0.038 0.000 0.858 626 K HN 0.720 nan 8.250 nan 0.000 0.525 627 G N 1.492 110.226 108.800 -0.111 0.000 2.176 627 G HA2 -0.236 3.738 3.960 0.023 0.000 0.252 627 G HA3 -0.236 3.738 3.960 0.023 0.000 0.252 627 G C 0.045 174.730 174.900 -0.359 0.000 1.024 627 G CA 0.227 45.211 45.100 -0.194 0.000 0.755 627 G HN 0.124 nan 8.290 nan 0.000 0.507 628 V N 0.724 120.476 119.914 -0.269 0.000 2.439 628 V HA 0.490 4.624 4.120 0.023 0.000 0.282 628 V C 0.780 176.712 176.094 -0.271 0.000 1.039 628 V CA -0.765 61.376 62.300 -0.265 0.000 0.913 628 V CB 1.112 32.876 31.823 -0.099 0.000 0.983 628 V HN 0.458 nan 8.190 nan 0.000 0.460 629 H N 1.836 120.919 119.070 0.022 0.000 2.508 629 H HA 0.776 5.346 4.556 0.023 0.000 0.358 629 H C 0.208 175.557 175.328 0.036 0.000 1.212 629 H CA 0.107 56.170 56.048 0.026 0.000 1.356 629 H CB 1.236 31.015 29.762 0.028 0.000 1.525 629 H HN 0.853 nan 8.280 nan 0.000 0.578 630 A N 0.926 123.855 122.820 0.182 0.000 2.498 630 A HA 0.561 4.894 4.320 0.023 0.000 0.298 630 A C -1.247 176.396 177.584 0.098 0.000 1.075 630 A CA -1.070 51.035 52.037 0.113 0.000 0.714 630 A CB 1.326 20.373 19.000 0.079 0.000 1.299 630 A HN 0.787 nan 8.150 nan 0.000 0.407 631 K N 2.088 122.539 120.400 0.085 0.000 2.545 631 K HA 0.634 4.968 4.320 0.023 0.000 0.252 631 K C -1.534 175.098 176.600 0.054 0.000 0.948 631 K CA -0.483 55.847 56.287 0.071 0.000 0.827 631 K CB 1.413 33.965 32.500 0.088 0.000 1.128 631 K HN 0.500 nan 8.250 nan 0.000 0.429 632 L N 4.282 125.528 121.223 0.037 0.000 2.325 632 L HA 0.261 4.614 4.340 0.023 0.000 0.284 632 L C -0.635 176.248 176.870 0.022 0.000 1.089 632 L CA -0.916 53.940 54.840 0.026 0.000 0.836 632 L CB 0.106 42.171 42.059 0.009 0.000 1.184 632 L HN 0.458 nan 8.230 nan 0.000 0.444 633 L N 4.428 125.672 121.223 0.034 0.000 2.330 633 L HA 0.603 4.957 4.340 0.023 0.000 0.271 633 L C -0.417 176.428 176.870 -0.041 0.000 1.013 633 L CA -0.350 54.483 54.840 -0.011 0.000 0.816 633 L CB 1.508 43.591 42.059 0.040 0.000 1.287 633 L HN 0.331 nan 8.230 nan 0.000 0.435 634 Y N -0.854 119.082 120.300 -0.607 0.000 2.840 634 Y HA 0.283 4.846 4.550 0.022 0.000 0.324 634 Y C 0.871 176.032 175.900 -1.233 0.000 1.378 634 Y CA -0.604 57.022 58.100 -0.790 0.000 1.077 634 Y CB 1.392 39.679 38.460 -0.288 0.000 1.361 634 Y HN 0.553 nan 8.280 nan 0.000 0.459 635 S N 0.789 115.564 115.700 -1.541 0.000 2.603 635 S HA 0.245 4.729 4.470 0.023 0.000 0.220 635 S C 0.024 174.312 174.600 -0.520 0.000 0.967 635 S CA 0.462 58.114 58.200 -0.914 0.000 0.920 635 S CB -0.306 62.496 63.200 -0.665 0.000 0.773 635 S HN 0.628 nan 8.310 nan 0.000 0.529 636 R N -1.499 118.772 120.500 -0.381 0.000 2.733 636 R HA 0.596 4.949 4.340 0.023 0.000 0.272 636 R C -0.871 175.419 176.300 -0.016 0.000 1.029 636 R CA -1.094 54.930 56.100 -0.127 0.000 0.888 636 R CB 0.430 30.700 30.300 -0.049 0.000 1.251 636 R HN -0.061 nan 8.270 nan 0.000 0.464 637 M N 0.176 119.772 119.600 -0.007 0.000 2.154 637 M HA 0.530 5.024 4.480 0.023 0.000 0.251 637 M C 1.037 177.354 176.300 0.029 0.000 1.200 637 M CA 0.973 56.278 55.300 0.008 0.000 0.967 637 M CB 0.458 33.055 32.600 -0.005 0.000 1.362 637 M HN 1.049 nan 8.290 nan 0.000 0.522 638 G N 0.809 109.617 108.800 0.014 0.000 2.513 638 G HA2 -0.140 3.834 3.960 0.023 0.000 0.227 638 G HA3 -0.140 3.834 3.960 0.023 0.000 0.227 638 G C -0.893 174.003 174.900 -0.006 0.000 1.176 638 G CA -0.455 44.650 45.100 0.008 0.000 0.967 638 G HN 0.621 nan 8.290 nan 0.000 0.587 639 E N -0.976 119.213 120.200 -0.018 0.000 2.369 639 E HA 0.624 4.987 4.350 0.023 0.000 0.270 639 E C -0.352 176.189 176.600 -0.099 0.000 0.909 639 E CA -0.535 55.834 56.400 -0.051 0.000 0.775 639 E CB 2.857 32.533 29.700 -0.039 0.000 1.270 639 E HN 1.200 nan 8.360 nan 0.000 0.445 640 V N -1.583 118.238 119.914 -0.155 0.000 2.914 640 V HA 0.697 4.830 4.120 0.023 0.000 0.314 640 V C -0.481 175.530 176.094 -0.137 0.000 1.084 640 V CA -0.719 61.448 62.300 -0.222 0.000 0.963 640 V CB 1.922 33.490 31.823 -0.426 0.000 1.025 640 V HN 0.616 nan 8.190 nan 0.000 0.432 641 T N 3.135 117.621 114.554 -0.113 0.000 2.770 641 T HA 0.753 5.117 4.350 0.023 0.000 0.283 641 T C 0.422 175.079 174.700 -0.071 0.000 0.988 641 T CA 0.273 62.328 62.100 -0.074 0.000 0.957 641 T CB 1.252 70.090 68.868 -0.051 0.000 0.930 641 T HN 1.342 nan 8.240 nan 0.000 0.443 642 A N 2.611 125.394 122.820 -0.061 0.000 2.346 642 A HA 0.277 4.610 4.320 0.023 0.000 0.255 642 A C 1.664 179.224 177.584 -0.039 0.000 1.113 642 A CA -0.183 51.823 52.037 -0.052 0.000 0.798 642 A CB 0.038 19.012 19.000 -0.044 0.000 1.073 642 A HN 0.907 nan 8.150 nan 0.000 0.502 643 D N -0.195 120.185 120.400 -0.034 0.000 2.221 643 D HA -0.199 4.455 4.640 0.023 0.000 0.204 643 D C 0.654 176.939 176.300 -0.024 0.000 0.982 643 D CA 1.657 55.641 54.000 -0.027 0.000 0.857 643 D CB -0.293 40.492 40.800 -0.025 0.000 0.934 643 D HN 0.614 nan 8.370 nan 0.000 0.475 644 D N -1.657 118.728 120.400 -0.025 0.000 2.363 644 D HA 0.196 4.850 4.640 0.023 0.000 0.214 644 D C 1.616 177.904 176.300 -0.020 0.000 1.093 644 D CA 0.500 54.488 54.000 -0.021 0.000 0.837 644 D CB 0.111 40.898 40.800 -0.020 0.000 0.948 644 D HN 0.386 nan 8.370 nan 0.000 0.507 645 G N -0.012 108.774 108.800 -0.024 0.000 2.195 645 G HA2 -0.251 3.723 3.960 0.023 0.000 0.224 645 G HA3 -0.251 3.723 3.960 0.023 0.000 0.224 645 G C 0.425 175.310 174.900 -0.025 0.000 0.990 645 G CA 0.102 45.188 45.100 -0.023 0.000 0.639 645 G HN 0.402 nan 8.290 nan 0.000 0.514 646 T N 1.650 116.189 114.554 -0.026 0.000 2.871 646 T HA 0.384 4.747 4.350 0.023 0.000 0.296 646 T C 0.648 175.328 174.700 -0.034 0.000 0.998 646 T CA 0.265 62.349 62.100 -0.027 0.000 1.162 646 T CB 1.963 70.816 68.868 -0.027 0.000 0.947 646 T HN 0.469 nan 8.240 nan 0.000 0.536 647 V N 5.555 125.451 119.914 -0.030 0.000 2.432 647 V HA 0.227 4.361 4.120 0.023 0.000 0.271 647 V C -0.131 175.940 176.094 -0.038 0.000 1.046 647 V CA -0.679 61.600 62.300 -0.036 0.000 0.945 647 V CB 0.927 32.734 31.823 -0.027 0.000 0.992 647 V HN 0.548 nan 8.190 nan 0.000 0.471 648 L N 9.101 130.292 121.223 -0.053 0.000 2.294 648 L HA 0.505 4.859 4.340 0.023 0.000 0.283 648 L C -2.127 174.712 176.870 -0.052 0.000 1.015 648 L CA -2.408 52.401 54.840 -0.053 0.000 0.831 648 L CB 1.625 43.640 42.059 -0.073 0.000 1.217 648 L HN 0.424 nan 8.230 nan 0.000 0.420 649 P HA 0.196 nan 4.420 nan 0.000 0.276 649 P C -0.243 177.044 177.300 -0.022 0.000 1.243 649 P CA -0.148 62.938 63.100 -0.023 0.000 0.768 649 P CB 0.816 32.509 31.700 -0.012 0.000 0.856 650 I N 2.841 123.398 120.570 -0.021 0.000 2.416 650 I HA 0.139 4.322 4.170 0.023 0.000 0.288 650 I C 1.668 177.783 176.117 -0.002 0.000 1.051 650 I CA -0.255 61.038 61.300 -0.011 0.000 1.375 650 I CB 1.233 39.236 38.000 0.004 0.000 1.407 650 I HN 0.370 nan 8.210 nan 0.000 0.516 651 A N 5.350 128.172 122.820 0.003 0.000 1.903 651 A HA 0.556 4.890 4.320 0.023 0.000 0.213 651 A C 0.982 178.571 177.584 0.009 0.000 1.185 651 A CA 1.234 53.278 52.037 0.011 0.000 0.628 651 A CB 0.023 19.037 19.000 0.024 0.000 0.830 651 A HN 0.799 nan 8.150 nan 0.000 0.446 652 A N -1.992 120.827 122.820 -0.000 0.000 2.586 652 A HA 0.591 4.925 4.320 0.023 0.000 0.290 652 A C -0.006 177.540 177.584 -0.065 0.000 1.086 652 A CA 0.117 52.150 52.037 -0.008 0.000 0.665 652 A CB -0.150 18.869 19.000 0.032 0.000 1.279 652 A HN 0.743 nan 8.150 nan 0.000 0.423 653 T N -1.769 112.737 114.554 -0.081 0.000 2.847 653 T HA 0.554 4.917 4.350 0.023 0.000 0.279 653 T C 0.873 175.511 174.700 -0.103 0.000 0.984 653 T CA 0.033 62.008 62.100 -0.208 0.000 0.988 653 T CB 0.093 68.869 68.868 -0.153 0.000 1.040 653 T HN 0.446 nan 8.240 nan 0.000 0.528 654 F N 0.339 120.310 119.950 0.036 0.000 2.171 654 F HA 0.037 4.577 4.527 0.023 0.000 0.300 654 F C 2.919 178.852 175.800 0.221 0.000 1.090 654 F CA 0.838 58.913 58.000 0.125 0.000 1.293 654 F CB -0.558 38.496 39.000 0.090 0.000 1.013 654 F HN 0.693 nan 8.300 nan 0.000 0.486 655 A N 0.268 123.249 122.820 0.268 0.000 1.970 655 A HA 0.098 4.431 4.320 0.023 0.000 0.216 655 A C 2.427 180.079 177.584 0.115 0.000 1.170 655 A CA 1.214 53.353 52.037 0.171 0.000 0.645 655 A CB -1.354 17.706 19.000 0.100 0.000 0.816 655 A HN 0.374 nan 8.150 nan 0.000 0.447 656 G N -0.515 108.339 108.800 0.090 0.000 2.408 656 G HA2 0.230 4.203 3.960 0.023 0.000 0.217 656 G HA3 0.230 4.203 3.960 0.023 0.000 0.217 656 G C 0.695 175.644 174.900 0.082 0.000 1.150 656 G CA 1.038 46.173 45.100 0.060 0.000 0.776 656 G HN 1.096 nan 8.290 nan 0.000 0.542 657 A N 0.660 123.563 122.820 0.138 0.000 3.030 657 A HA 0.706 5.039 4.320 0.023 0.000 0.335 657 A C -2.679 175.047 177.584 0.237 0.000 1.089 657 A CA -1.154 50.977 52.037 0.157 0.000 0.807 657 A CB 1.286 20.379 19.000 0.155 0.000 1.099 657 A HN 0.101 nan 8.150 nan 0.000 0.474 658 P HA 0.029 nan 4.420 nan 0.000 0.270 658 P C 1.399 178.547 177.300 -0.253 0.000 1.227 658 P CA 0.379 63.434 63.100 -0.075 0.000 0.788 658 P CB 0.745 32.384 31.700 -0.101 0.000 0.926 659 S N 0.871 116.069 115.700 -0.836 0.000 2.440 659 S HA -0.165 4.319 4.470 0.023 0.000 0.238 659 S C 1.753 176.208 174.600 -0.242 0.000 1.010 659 S CA 1.166 59.002 58.200 -0.607 0.000 0.972 659 S CB -1.381 61.356 63.200 -0.771 0.000 0.774 659 S HN 0.329 nan 8.310 nan 0.000 0.501 660 L N 1.830 122.915 121.223 -0.230 0.000 2.081 660 L HA -0.114 4.240 4.340 0.023 0.000 0.212 660 L C 3.001 179.694 176.870 -0.294 0.000 1.080 660 L CA 1.725 56.427 54.840 -0.230 0.000 0.754 660 L CB -1.525 40.373 42.059 -0.268 0.000 0.893 660 L HN 0.636 nan 8.230 nan 0.000 0.433 661 T N -3.056 111.383 114.554 -0.193 0.000 3.148 661 T HA 0.190 4.553 4.350 0.023 0.000 0.253 661 T C 0.406 175.186 174.700 0.133 0.000 1.134 661 T CA 0.204 62.263 62.100 -0.069 0.000 1.051 661 T CB -0.493 68.443 68.868 0.114 0.000 0.959 661 T HN 0.176 nan 8.240 nan 0.000 0.525 662 V N -2.697 117.262 119.914 0.074 0.000 3.113 662 V HA 0.579 4.713 4.120 0.023 0.000 0.316 662 V C -0.097 176.041 176.094 0.074 0.000 1.125 662 V CA -0.962 61.412 62.300 0.123 0.000 1.026 662 V CB 2.119 34.031 31.823 0.148 0.000 1.080 662 V HN 0.001 nan 8.190 nan 0.000 0.444 663 D N 0.803 121.250 120.400 0.078 0.000 2.366 663 D HA 0.503 5.156 4.640 0.023 0.000 0.205 663 D C 0.532 176.820 176.300 -0.020 0.000 1.022 663 D CA 1.412 55.432 54.000 0.034 0.000 0.868 663 D CB 1.549 42.392 40.800 0.072 0.000 0.953 663 D HN 0.972 nan 8.370 nan 0.000 0.514 664 A N 0.142 122.968 122.820 0.009 0.000 2.601 664 A HA 0.550 4.884 4.320 0.023 0.000 0.291 664 A C -1.592 176.012 177.584 0.033 0.000 1.075 664 A CA -0.538 51.492 52.037 -0.012 0.000 0.671 664 A CB 1.566 20.549 19.000 -0.028 0.000 1.277 664 A HN -0.109 nan 8.150 nan 0.000 0.417 665 V N 1.098 121.024 119.914 0.019 0.000 2.638 665 V HA 0.562 4.695 4.120 0.023 0.000 0.306 665 V C -0.746 175.354 176.094 0.009 0.000 1.052 665 V CA -0.184 62.138 62.300 0.036 0.000 0.885 665 V CB 1.526 33.385 31.823 0.060 0.000 0.999 665 V HN 0.697 nan 8.190 nan 0.000 0.424 666 I N 4.342 124.924 120.570 0.021 0.000 2.465 666 I HA 0.539 4.722 4.170 0.023 0.000 0.291 666 I C -0.843 175.297 176.117 0.037 0.000 1.014 666 I CA -0.921 60.419 61.300 0.066 0.000 1.093 666 I CB 2.296 40.368 38.000 0.121 0.000 1.267 666 I HN 0.294 nan 8.210 nan 0.000 0.431 667 V N 7.740 127.691 119.914 0.061 0.000 2.326 667 V HA 0.332 4.465 4.120 0.023 0.000 0.281 667 V C -2.125 174.018 176.094 0.080 0.000 1.015 667 V CA -1.645 60.678 62.300 0.037 0.000 0.823 667 V CB 1.105 32.928 31.823 -0.000 0.000 1.009 667 V HN 0.550 nan 8.190 nan 0.000 0.436 668 P HA 0.170 nan 4.420 nan 0.000 0.274 668 P C 0.215 177.521 177.300 0.010 0.000 1.246 668 P CA -0.291 62.808 63.100 -0.003 0.000 0.795 668 P CB 1.011 32.702 31.700 -0.014 0.000 1.006 669 C N 0.543 119.823 119.300 -0.034 0.000 2.639 669 C HA 0.682 5.156 4.460 0.023 0.000 0.360 669 C C 1.156 176.143 174.990 -0.006 0.000 1.351 669 C CA 1.685 60.692 59.018 -0.018 0.000 2.408 669 C CB -1.006 26.704 27.740 -0.051 0.000 2.517 669 C HN 0.923 nan 8.230 nan 0.000 0.696 670 G N 1.691 110.491 108.800 0.000 0.000 2.288 670 G HA2 0.003 3.977 3.960 0.023 0.000 0.227 670 G HA3 0.003 3.977 3.960 0.023 0.000 0.227 670 G C -0.784 174.122 174.900 0.011 0.000 1.339 670 G CA -0.107 44.994 45.100 0.002 0.000 1.057 670 G HN 0.999 nan 8.290 nan 0.000 0.470 671 N N 1.348 120.060 118.700 0.020 0.000 2.739 671 N HA 0.154 4.908 4.740 0.023 0.000 0.266 671 N C 1.221 176.758 175.510 0.045 0.000 1.168 671 N CA -0.661 52.404 53.050 0.025 0.000 1.055 671 N CB -0.067 38.437 38.487 0.028 0.000 1.393 671 N HN 0.345 nan 8.380 nan 0.000 0.514 672 I N 2.190 122.774 120.570 0.024 0.000 2.493 672 I HA -0.172 4.012 4.170 0.023 0.000 0.254 672 I C 2.386 178.492 176.117 -0.017 0.000 1.160 672 I CA 0.642 61.952 61.300 0.017 0.000 1.445 672 I CB -1.461 36.508 38.000 -0.051 0.000 1.086 672 I HN 0.485 nan 8.210 nan 0.000 0.433 673 A N 0.593 123.400 122.820 -0.022 0.000 2.070 673 A HA -0.256 4.078 4.320 0.023 0.000 0.220 673 A C 2.064 179.663 177.584 0.024 0.000 1.159 673 A CA 1.833 53.856 52.037 -0.023 0.000 0.656 673 A CB -0.653 18.335 19.000 -0.021 0.000 0.800 673 A HN 0.404 nan 8.150 nan 0.000 0.453 674 D N 0.529 120.969 120.400 0.067 0.000 2.123 674 D HA -0.170 4.484 4.640 0.023 0.000 0.196 674 D C 1.531 177.916 176.300 0.141 0.000 0.992 674 D CA 1.875 55.946 54.000 0.118 0.000 0.833 674 D CB -0.185 40.720 40.800 0.176 0.000 0.954 674 D HN 0.650 nan 8.370 nan 0.000 0.455 675 I N -4.094 116.575 120.570 0.165 0.000 4.154 675 I HA 0.486 4.670 4.170 0.023 0.000 0.334 675 I C 1.859 178.081 176.117 0.175 0.000 1.371 675 I CA -0.071 61.352 61.300 0.205 0.000 1.110 675 I CB 0.157 38.341 38.000 0.306 0.000 1.085 675 I HN -0.091 nan 8.210 nan 0.000 0.398 676 A N 1.587 124.422 122.820 0.026 0.000 1.978 676 A HA -0.204 4.130 4.320 0.023 0.000 0.220 676 A C 1.385 178.941 177.584 -0.046 0.000 1.170 676 A CA 2.258 54.197 52.037 -0.163 0.000 0.636 676 A CB -0.602 18.253 19.000 -0.241 0.000 0.810 676 A HN 0.500 nan 8.150 nan 0.000 0.448 677 D N -0.828 119.575 120.400 0.005 0.000 2.424 677 D HA 0.070 4.723 4.640 0.023 0.000 0.220 677 D C 0.038 176.367 176.300 0.048 0.000 1.150 677 D CA -0.187 53.823 54.000 0.018 0.000 0.831 677 D CB -0.042 40.759 40.800 0.002 0.000 0.981 677 D HN 0.317 nan 8.370 nan 0.000 0.500 678 N N 0.571 119.318 118.700 0.080 0.000 2.401 678 N HA 0.060 4.814 4.740 0.023 0.000 0.255 678 N C 1.396 176.956 175.510 0.082 0.000 1.110 678 N CA 0.021 53.123 53.050 0.087 0.000 0.949 678 N CB 1.388 39.950 38.487 0.125 0.000 1.110 678 N HN 0.103 nan 8.380 nan 0.000 0.490 679 G N 3.465 112.307 108.800 0.071 0.000 2.476 679 G HA2 -0.293 3.680 3.960 0.023 0.000 0.218 679 G HA3 -0.293 3.680 3.960 0.023 0.000 0.218 679 G C 0.981 175.941 174.900 0.099 0.000 1.164 679 G CA 0.680 45.824 45.100 0.073 0.000 0.768 679 G HN 0.588 nan 8.290 nan 0.000 0.560 680 D N 0.892 121.360 120.400 0.114 0.000 2.097 680 D HA -0.036 4.618 4.640 0.023 0.000 0.195 680 D C 2.840 179.167 176.300 0.046 0.000 0.989 680 D CA 1.321 55.422 54.000 0.169 0.000 0.827 680 D CB -0.570 40.393 40.800 0.272 0.000 0.966 680 D HN 0.313 nan 8.370 nan 0.000 0.456 681 A N 1.126 123.815 122.820 -0.217 0.000 1.877 681 A HA -0.201 4.132 4.320 0.023 0.000 0.216 681 A C 2.014 179.405 177.584 -0.323 0.000 1.186 681 A CA 1.404 53.042 52.037 -0.666 0.000 0.620 681 A CB -0.539 18.042 19.000 -0.698 0.000 0.822 681 A HN 0.179 nan 8.150 nan 0.000 0.443 682 N N -1.639 117.032 118.700 -0.049 0.000 2.120 682 N HA -0.181 4.573 4.740 0.023 0.000 0.188 682 N C 1.711 177.224 175.510 0.004 0.000 1.024 682 N CA 1.770 54.841 53.050 0.035 0.000 0.852 682 N CB -0.420 38.155 38.487 0.146 0.000 1.003 682 N HN 0.693 nan 8.380 nan 0.000 0.424 683 Y N 0.580 120.853 120.300 -0.044 0.000 2.293 683 Y HA -0.242 4.322 4.550 0.022 0.000 0.291 683 Y C 2.364 178.218 175.900 -0.076 0.000 1.137 683 Y CA 1.058 59.127 58.100 -0.052 0.000 1.202 683 Y CB -0.285 38.152 38.460 -0.039 0.000 0.990 683 Y HN 0.018 nan 8.280 nan 0.000 0.537 684 Y N 0.429 120.609 120.300 -0.201 0.000 2.081 684 Y HA -0.338 4.225 4.550 0.022 0.000 0.280 684 Y C 2.087 177.790 175.900 -0.328 0.000 1.163 684 Y CA 2.243 60.190 58.100 -0.254 0.000 1.135 684 Y CB -0.531 37.765 38.460 -0.274 0.000 0.970 684 Y HN 0.109 nan 8.280 nan 0.000 0.498 685 L N -1.131 120.020 121.223 -0.120 0.000 2.093 685 L HA -0.256 4.097 4.340 0.023 0.000 0.208 685 L C 2.433 179.183 176.870 -0.199 0.000 1.085 685 L CA 1.408 56.152 54.840 -0.160 0.000 0.755 685 L CB -0.535 41.386 42.059 -0.230 0.000 0.904 685 L HN 0.301 nan 8.230 nan 0.000 0.435 686 M N -0.525 118.903 119.600 -0.286 0.000 2.117 686 M HA -0.225 4.269 4.480 0.023 0.000 0.262 686 M C 2.272 178.319 176.300 -0.423 0.000 1.065 686 M CA 1.715 56.842 55.300 -0.288 0.000 1.114 686 M CB -0.328 32.106 32.600 -0.277 0.000 1.361 686 M HN 0.207 nan 8.290 nan 0.000 0.408 687 E N 0.454 120.204 120.200 -0.750 0.000 2.051 687 E HA -0.196 4.167 4.350 0.023 0.000 0.192 687 E C 1.983 178.212 176.600 -0.617 0.000 0.991 687 E CA 1.368 57.288 56.400 -0.801 0.000 0.799 687 E CB -0.010 29.179 29.700 -0.851 0.000 0.748 687 E HN 0.476 nan 8.360 nan 0.000 0.449 688 A N 0.172 122.751 122.820 -0.402 0.000 1.933 688 A HA -0.202 4.131 4.320 0.023 0.000 0.218 688 A C 2.030 179.507 177.584 -0.178 0.000 1.175 688 A CA 1.446 53.343 52.037 -0.234 0.000 0.628 688 A CB -0.866 18.056 19.000 -0.130 0.000 0.814 688 A HN 0.561 nan 8.150 nan 0.000 0.444 689 Y N 0.516 120.655 120.300 -0.268 0.000 2.145 689 Y HA -0.189 4.374 4.550 0.023 0.000 0.286 689 Y C 2.390 178.163 175.900 -0.212 0.000 1.145 689 Y CA 2.284 60.258 58.100 -0.210 0.000 1.148 689 Y CB -0.247 38.105 38.460 -0.180 0.000 0.981 689 Y HN 0.304 nan 8.280 nan 0.000 0.507 690 K N -0.519 119.735 120.400 -0.243 0.000 2.103 690 K HA -0.228 4.105 4.320 0.023 0.000 0.207 690 K C 0.895 177.364 176.600 -0.219 0.000 1.048 690 K CA 2.035 58.155 56.287 -0.278 0.000 0.930 690 K CB -0.454 31.841 32.500 -0.340 0.000 0.716 690 K HN 0.580 nan 8.250 nan 0.000 0.444 691 H N 0.627 119.572 119.070 -0.207 0.000 2.592 691 H HA 0.176 4.745 4.556 0.023 0.000 0.291 691 H C -0.102 175.068 175.328 -0.263 0.000 1.052 691 H CA -0.018 55.910 56.048 -0.201 0.000 1.175 691 H CB -0.056 29.587 29.762 -0.199 0.000 1.378 691 H HN 0.132 nan 8.280 nan 0.000 0.576 692 L N -0.024 121.057 121.223 -0.238 0.000 3.843 692 L HA -0.300 4.053 4.340 0.023 0.000 0.411 692 L C -0.314 176.302 176.870 -0.424 0.000 1.205 692 L CA 0.703 55.315 54.840 -0.381 0.000 0.945 692 L CB -1.726 40.090 42.059 -0.404 0.000 1.929 692 L HN 0.357 nan 8.230 nan 0.000 0.934 693 K N 0.634 120.849 120.400 -0.308 0.000 2.143 693 K HA 0.491 4.825 4.320 0.023 0.000 0.272 693 K C -2.138 174.334 176.600 -0.214 0.000 1.001 693 K CA -1.847 54.279 56.287 -0.268 0.000 0.915 693 K CB 0.769 33.165 32.500 -0.173 0.000 1.047 693 K HN -0.205 nan 8.250 nan 0.000 0.458 694 P HA 0.061 nan 4.420 nan 0.000 0.268 694 P C -0.794 176.446 177.300 -0.099 0.000 1.205 694 P CA 0.333 63.340 63.100 -0.156 0.000 0.771 694 P CB 0.431 32.037 31.700 -0.156 0.000 0.858 695 I N 1.721 122.245 120.570 -0.076 0.000 2.533 695 I HA 0.623 4.807 4.170 0.023 0.000 0.290 695 I C -0.422 175.654 176.117 -0.068 0.000 1.056 695 I CA -0.797 60.476 61.300 -0.045 0.000 1.057 695 I CB 2.253 40.249 38.000 -0.006 0.000 1.240 695 I HN 0.249 nan 8.210 nan 0.000 0.423 696 A N 7.553 130.343 122.820 -0.050 0.000 2.343 696 A HA 0.874 5.207 4.320 0.023 0.000 0.308 696 A C -1.134 176.555 177.584 0.176 0.000 1.092 696 A CA -0.423 51.569 52.037 -0.075 0.000 0.751 696 A CB 0.940 19.768 19.000 -0.287 0.000 1.203 696 A HN 0.661 nan 8.150 nan 0.000 0.452 697 L N 2.385 123.756 121.223 0.247 0.000 2.343 697 L HA 0.714 5.068 4.340 0.023 0.000 0.278 697 L C 0.323 177.395 176.870 0.337 0.000 0.996 697 L CA -0.554 54.444 54.840 0.264 0.000 0.831 697 L CB 1.886 44.045 42.059 0.167 0.000 1.232 697 L HN 0.776 nan 8.230 nan 0.000 0.413 698 A N 2.320 125.246 122.820 0.177 0.000 2.312 698 A HA 0.842 5.176 4.320 0.023 0.000 0.326 698 A C 0.730 178.305 177.584 -0.014 0.000 1.172 698 A CA 0.332 52.343 52.037 -0.042 0.000 0.821 698 A CB 1.117 19.880 19.000 -0.394 0.000 1.166 698 A HN 0.973 nan 8.150 nan 0.000 0.493 699 G N 1.910 110.695 108.800 -0.025 0.000 2.651 699 G HA2 -0.360 3.614 3.960 0.023 0.000 0.315 699 G HA3 -0.360 3.614 3.960 0.023 0.000 0.315 699 G C 0.468 175.372 174.900 0.006 0.000 1.258 699 G CA 0.945 46.035 45.100 -0.017 0.000 1.002 699 G HN 0.736 nan 8.290 nan 0.000 0.551 700 D N 1.322 121.720 120.400 -0.003 0.000 2.351 700 D HA 0.210 4.863 4.640 0.023 0.000 0.216 700 D C 2.508 178.809 176.300 0.002 0.000 0.968 700 D CA 1.535 55.528 54.000 -0.012 0.000 0.899 700 D CB -0.627 40.157 40.800 -0.026 0.000 0.907 700 D HN 0.804 nan 8.370 nan 0.000 0.514 701 A N 0.465 123.324 122.820 0.066 0.000 2.121 701 A HA -0.141 4.193 4.320 0.023 0.000 0.218 701 A C 2.021 179.718 177.584 0.188 0.000 1.154 701 A CA 0.633 52.781 52.037 0.185 0.000 0.679 701 A CB -0.353 18.771 19.000 0.207 0.000 0.795 701 A HN 0.122 nan 8.150 nan 0.000 0.458 702 R N -0.218 120.338 120.500 0.093 0.000 2.241 702 R HA -0.089 4.265 4.340 0.023 0.000 0.224 702 R C 1.722 178.033 176.300 0.018 0.000 1.101 702 R CA 1.236 57.377 56.100 0.068 0.000 0.995 702 R CB -0.183 30.144 30.300 0.045 0.000 0.870 702 R HN 0.517 nan 8.270 nan 0.000 0.463 703 K N -0.153 120.214 120.400 -0.055 0.000 2.152 703 K HA -0.137 4.197 4.320 0.023 0.000 0.206 703 K C 1.340 177.826 176.600 -0.189 0.000 1.048 703 K CA 1.287 57.479 56.287 -0.158 0.000 0.933 703 K CB -0.107 32.230 32.500 -0.271 0.000 0.721 703 K HN 0.164 nan 8.250 nan 0.000 0.447 704 F N 1.415 121.339 119.950 -0.044 0.000 2.641 704 F HA -0.099 4.441 4.527 0.023 0.000 0.298 704 F C 1.846 177.595 175.800 -0.085 0.000 1.146 704 F CA 0.736 58.697 58.000 -0.064 0.000 1.464 704 F CB 0.016 38.977 39.000 -0.064 0.000 1.101 704 F HN -0.043 nan 8.300 nan 0.000 0.585 705 K N 0.241 120.683 120.400 0.069 0.000 2.103 705 K HA -0.172 4.162 4.320 0.023 0.000 0.207 705 K C 2.309 178.879 176.600 -0.049 0.000 1.048 705 K CA 1.200 57.481 56.287 -0.009 0.000 0.930 705 K CB -0.347 32.146 32.500 -0.012 0.000 0.716 705 K HN 0.248 nan 8.250 nan 0.000 0.444 706 A N 0.817 123.615 122.820 -0.037 0.000 2.015 706 A HA -0.114 4.220 4.320 0.023 0.000 0.219 706 A C 2.101 179.657 177.584 -0.046 0.000 1.163 706 A CA 1.658 53.667 52.037 -0.047 0.000 0.646 706 A CB -0.695 18.277 19.000 -0.046 0.000 0.806 706 A HN 0.223 nan 8.150 nan 0.000 0.448 707 T N 0.907 115.452 114.554 -0.016 0.000 2.708 707 T HA -0.126 4.238 4.350 0.023 0.000 0.266 707 T C 1.519 176.163 174.700 -0.094 0.000 1.037 707 T CA 1.684 63.781 62.100 -0.006 0.000 1.146 707 T CB -0.486 68.440 68.868 0.096 0.000 0.865 707 T HN 0.734 nan 8.240 nan 0.000 0.435 708 I N -2.160 118.296 120.570 -0.190 0.000 3.855 708 I HA 0.361 4.544 4.170 0.023 0.000 0.327 708 I C -0.373 175.489 176.117 -0.425 0.000 1.359 708 I CA -0.400 60.643 61.300 -0.429 0.000 1.142 708 I CB -0.028 37.519 38.000 -0.755 0.000 1.041 708 I HN -0.131 nan 8.210 nan 0.000 0.403 709 K N 1.789 122.062 120.400 -0.211 0.000 3.150 709 K HA -0.111 4.223 4.320 0.023 0.000 0.267 709 K C -0.323 176.201 176.600 -0.126 0.000 1.028 709 K CA 0.503 56.710 56.287 -0.133 0.000 0.753 709 K CB -1.713 30.734 32.500 -0.088 0.000 1.288 709 K HN 0.429 nan 8.250 nan 0.000 0.473 710 I N 0.463 120.955 120.570 -0.130 0.000 2.365 710 I HA 0.263 4.447 4.170 0.023 0.000 0.291 710 I C 1.479 177.574 176.117 -0.038 0.000 1.004 710 I CA -0.991 60.262 61.300 -0.078 0.000 1.311 710 I CB 0.830 38.786 38.000 -0.074 0.000 1.401 710 I HN 0.243 nan 8.210 nan 0.000 0.491 711 A N 5.128 127.938 122.820 -0.017 0.000 2.429 711 A HA 0.053 4.387 4.320 0.023 0.000 0.242 711 A C 1.142 178.721 177.584 -0.008 0.000 1.088 711 A CA -0.091 51.941 52.037 -0.009 0.000 0.784 711 A CB 0.109 19.108 19.000 -0.000 0.000 1.038 711 A HN 0.771 nan 8.150 nan 0.000 0.501 712 D N -0.156 120.240 120.400 -0.006 0.000 2.123 712 D HA -0.186 4.467 4.640 0.023 0.000 0.196 712 D C 1.914 178.214 176.300 0.001 0.000 0.992 712 D CA 1.837 55.835 54.000 -0.004 0.000 0.833 712 D CB -0.181 40.616 40.800 -0.004 0.000 0.954 712 D HN 0.770 nan 8.370 nan 0.000 0.455 713 Q N 0.896 120.697 119.800 0.002 0.000 2.226 713 Q HA -0.047 4.307 4.340 0.023 0.000 0.204 713 Q C 0.707 176.709 176.000 0.004 0.000 0.975 713 Q CA 1.472 57.277 55.803 0.004 0.000 0.866 713 Q CB 0.090 28.830 28.738 0.004 0.000 0.915 713 Q HN 0.241 nan 8.270 nan 0.000 0.440 714 G N 0.785 109.587 108.800 0.004 0.000 2.592 714 G HA2 -0.189 3.785 3.960 0.023 0.000 0.684 714 G HA3 -0.189 3.785 3.960 0.023 0.000 0.684 714 G C -1.294 173.609 174.900 0.006 0.000 1.291 714 G CA -0.175 44.927 45.100 0.004 0.000 0.891 714 G HN 0.537 nan 8.290 nan 0.000 0.544 715 E N -0.937 119.267 120.200 0.007 0.000 2.392 715 E HA 0.543 4.907 4.350 0.023 0.000 0.279 715 E C -0.624 175.973 176.600 -0.004 0.000 0.964 715 E CA -0.900 55.506 56.400 0.011 0.000 0.777 715 E CB 1.462 31.183 29.700 0.035 0.000 1.249 715 E HN 0.568 nan 8.360 nan 0.000 0.449 716 E N 0.566 120.757 120.200 -0.015 0.000 2.480 716 E HA 0.205 4.569 4.350 0.023 0.000 0.258 716 E C 0.546 177.111 176.600 -0.058 0.000 0.984 716 E CA 1.656 58.033 56.400 -0.039 0.000 0.930 716 E CB 0.646 30.321 29.700 -0.041 0.000 0.936 716 E HN 0.870 nan 8.360 nan 0.000 0.466 717 G N 3.481 112.233 108.800 -0.081 0.000 2.231 717 G HA2 -0.182 3.792 3.960 0.023 0.000 0.206 717 G HA3 -0.182 3.792 3.960 0.023 0.000 0.206 717 G C 0.036 174.890 174.900 -0.076 0.000 0.996 717 G CA -0.542 44.493 45.100 -0.109 0.000 0.645 717 G HN 0.435 nan 8.290 nan 0.000 0.498 718 I N 2.212 122.754 120.570 -0.046 0.000 2.382 718 I HA 0.485 4.669 4.170 0.023 0.000 0.286 718 I C 0.398 176.466 176.117 -0.081 0.000 1.002 718 I CA -1.207 60.070 61.300 -0.037 0.000 1.135 718 I CB 1.328 39.333 38.000 0.008 0.000 1.288 718 I HN -0.099 nan 8.210 nan 0.000 0.448 719 V N 7.272 127.096 119.914 -0.150 0.000 2.465 719 V HA 0.406 4.539 4.120 0.023 0.000 0.279 719 V C 0.228 176.233 176.094 -0.148 0.000 1.045 719 V CA -0.432 61.717 62.300 -0.251 0.000 0.938 719 V CB 1.197 32.702 31.823 -0.531 0.000 0.986 719 V HN 0.876 nan 8.190 nan 0.000 0.467 720 E N 4.205 124.390 120.200 -0.025 0.000 2.343 720 E HA 0.873 5.236 4.350 0.023 0.000 0.278 720 E C -0.993 175.732 176.600 0.209 0.000 0.910 720 E CA -0.916 55.572 56.400 0.148 0.000 0.757 720 E CB 2.521 32.272 29.700 0.085 0.000 1.218 720 E HN 0.830 nan 8.360 nan 0.000 0.435 721 A N 1.943 124.930 122.820 0.277 0.000 2.540 721 A HA 0.348 4.682 4.320 0.023 0.000 0.291 721 A C -0.581 177.052 177.584 0.082 0.000 1.083 721 A CA -0.585 51.561 52.037 0.182 0.000 0.650 721 A CB 1.017 20.172 19.000 0.259 0.000 1.292 721 A HN 0.607 nan 8.150 nan 0.000 0.435 722 D N 0.431 120.849 120.400 0.030 0.000 2.219 722 D HA 0.060 4.714 4.640 0.023 0.000 0.205 722 D C 1.052 177.312 176.300 -0.065 0.000 0.970 722 D CA 2.202 56.196 54.000 -0.011 0.000 0.851 722 D CB 0.096 40.891 40.800 -0.009 0.000 0.943 722 D HN 0.819 nan 8.370 nan 0.000 0.488 723 S N -1.736 113.892 115.700 -0.120 0.000 2.656 723 S HA 0.634 5.118 4.470 0.023 0.000 0.273 723 S C -0.577 173.737 174.600 -0.478 0.000 1.168 723 S CA -0.511 57.550 58.200 -0.232 0.000 0.817 723 S CB 1.784 64.896 63.200 -0.147 0.000 1.146 723 S HN -0.075 nan 8.310 nan 0.000 0.475 724 A N 0.949 123.405 122.820 -0.608 0.000 2.988 724 A HA 0.356 4.690 4.320 0.023 0.000 0.288 724 A C 0.902 178.330 177.584 -0.260 0.000 1.385 724 A CA 0.284 51.790 52.037 -0.885 0.000 1.001 724 A CB -1.174 17.345 19.000 -0.801 0.000 1.071 724 A HN 0.812 nan 8.150 nan 0.000 0.608 725 D N -0.304 120.020 120.400 -0.127 0.000 2.454 725 D HA 0.082 4.736 4.640 0.023 0.000 0.247 725 D C 1.639 177.958 176.300 0.031 0.000 1.143 725 D CA 1.230 55.211 54.000 -0.033 0.000 0.972 725 D CB -1.074 39.702 40.800 -0.039 0.000 1.070 725 D HN 0.126 nan 8.370 nan 0.000 0.433 726 G N 0.410 109.239 108.800 0.047 0.000 2.630 726 G HA2 -0.116 3.858 3.960 0.023 0.000 0.195 726 G HA3 -0.116 3.858 3.960 0.023 0.000 0.195 726 G C 1.492 176.440 174.900 0.080 0.000 1.493 726 G CA 1.967 47.100 45.100 0.054 0.000 0.890 726 G HN 0.513 nan 8.290 nan 0.000 0.475 727 S N -0.528 115.224 115.700 0.087 0.000 2.593 727 S HA 0.112 4.596 4.470 0.023 0.000 0.217 727 S C 1.906 176.569 174.600 0.106 0.000 0.966 727 S CA 0.549 58.794 58.200 0.075 0.000 0.914 727 S CB -0.274 62.953 63.200 0.044 0.000 0.776 727 S HN 0.315 nan 8.310 nan 0.000 0.523 728 F N 2.580 122.527 119.950 -0.004 0.000 2.065 728 F HA -0.136 4.404 4.527 0.022 0.000 0.298 728 F C 2.259 178.055 175.800 -0.007 0.000 1.112 728 F CA 1.866 59.863 58.000 -0.005 0.000 1.212 728 F CB -0.233 38.766 39.000 -0.003 0.000 0.975 728 F HN 0.173 nan 8.300 nan 0.000 0.476 729 M N -0.091 119.655 119.600 0.244 0.000 2.200 729 M HA -0.150 4.344 4.480 0.023 0.000 0.265 729 M C 1.771 178.079 176.300 0.013 0.000 1.066 729 M CA 1.278 56.651 55.300 0.122 0.000 1.127 729 M CB -1.317 31.369 32.600 0.143 0.000 1.379 729 M HN 0.122 nan 8.290 nan 0.000 0.420 730 D N 0.430 120.840 120.400 0.017 0.000 2.144 730 D HA -0.135 4.519 4.640 0.023 0.000 0.199 730 D C 1.958 178.234 176.300 -0.040 0.000 0.984 730 D CA 1.099 55.096 54.000 -0.006 0.000 0.834 730 D CB -0.096 40.708 40.800 0.006 0.000 0.955 730 D HN 0.466 nan 8.370 nan 0.000 0.465 731 E N 0.333 120.492 120.200 -0.068 0.000 2.072 731 E HA -0.108 4.256 4.350 0.023 0.000 0.191 731 E C 2.090 178.606 176.600 -0.140 0.000 0.985 731 E CA 0.168 56.505 56.400 -0.105 0.000 0.801 731 E CB -0.026 29.594 29.700 -0.133 0.000 0.750 731 E HN 0.132 nan 8.360 nan 0.000 0.452 732 L N 1.021 122.129 121.223 -0.191 0.000 2.046 732 L HA -0.156 4.197 4.340 0.023 0.000 0.208 732 L C 2.025 178.832 176.870 -0.105 0.000 1.077 732 L CA 1.596 56.326 54.840 -0.184 0.000 0.747 732 L CB -0.447 41.480 42.059 -0.219 0.000 0.896 732 L HN 0.237 nan 8.230 nan 0.000 0.432 733 L N -0.623 120.558 121.223 -0.070 0.000 2.217 733 L HA -0.159 4.195 4.340 0.023 0.000 0.211 733 L C 2.404 179.249 176.870 -0.042 0.000 1.107 733 L CA 1.164 55.978 54.840 -0.043 0.000 0.783 733 L CB -0.594 41.450 42.059 -0.025 0.000 0.919 733 L HN 0.223 nan 8.230 nan 0.000 0.442 734 T N 0.087 114.611 114.554 -0.049 0.000 2.821 734 T HA -0.112 4.251 4.350 0.023 0.000 0.267 734 T C 1.936 176.604 174.700 -0.055 0.000 1.046 734 T CA 1.115 63.191 62.100 -0.041 0.000 1.139 734 T CB -0.126 68.717 68.868 -0.041 0.000 0.871 734 T HN 0.188 nan 8.240 nan 0.000 0.454 735 L N 0.261 121.433 121.223 -0.085 0.000 2.056 735 L HA -0.010 4.343 4.340 0.023 0.000 0.207 735 L C 2.680 179.485 176.870 -0.109 0.000 1.078 735 L CA 1.142 55.912 54.840 -0.117 0.000 0.749 735 L CB -0.518 41.453 42.059 -0.147 0.000 0.901 735 L HN 0.281 nan 8.230 nan 0.000 0.433 736 M N -0.640 118.914 119.600 -0.078 0.000 2.159 736 M HA -0.185 4.309 4.480 0.023 0.000 0.263 736 M C 2.491 178.793 176.300 0.002 0.000 1.063 736 M CA 1.725 56.999 55.300 -0.044 0.000 1.110 736 M CB -0.519 32.064 32.600 -0.028 0.000 1.374 736 M HN 0.330 nan 8.290 nan 0.000 0.411 737 A N 0.296 123.117 122.820 0.000 0.000 1.972 737 A HA 0.004 4.338 4.320 0.023 0.000 0.219 737 A C 2.164 179.785 177.584 0.061 0.000 1.169 737 A CA 1.777 53.832 52.037 0.030 0.000 0.635 737 A CB -0.650 18.362 19.000 0.020 0.000 0.810 737 A HN 0.511 nan 8.150 nan 0.000 0.446 738 A N -2.806 120.029 122.820 0.025 0.000 2.251 738 A HA 0.344 4.677 4.320 0.023 0.000 0.209 738 A C 0.949 178.556 177.584 0.038 0.000 1.187 738 A CA 1.285 53.347 52.037 0.043 0.000 0.823 738 A CB -0.474 18.508 19.000 -0.030 0.000 0.846 738 A HN 0.947 nan 8.150 nan 0.000 0.486 739 H N -1.304 117.700 119.070 -0.109 0.000 4.856 739 H HA -0.185 4.384 4.556 0.022 0.000 0.059 739 H C 0.001 175.104 175.328 -0.375 0.000 0.596 739 H CA 2.368 58.330 56.048 -0.143 0.000 0.946 739 H CB -0.578 29.200 29.762 0.026 0.000 0.453 739 H HN 0.455 nan 8.280 nan 0.000 0.801 740 R N -0.224 119.704 120.500 -0.953 0.000 2.837 740 R HA 0.611 4.964 4.340 0.023 0.000 0.271 740 R C -0.645 174.808 176.300 -1.413 0.000 0.993 740 R CA -0.313 54.990 56.100 -1.328 0.000 0.931 740 R CB 1.760 30.959 30.300 -1.835 0.000 1.206 740 R HN 0.094 nan 8.270 nan 0.000 0.474 741 V N 2.540 121.870 119.914 -0.973 0.000 2.221 741 V HA 0.103 4.237 4.120 0.023 0.000 0.258 741 V C 0.753 176.481 176.094 -0.611 0.000 1.179 741 V CA -0.466 61.428 62.300 -0.677 0.000 1.022 741 V CB -0.364 31.206 31.823 -0.421 0.000 1.228 741 V HN 0.720 nan 8.190 nan 0.000 0.487 742 W N 1.652 122.672 121.300 -0.466 0.000 2.350 742 W HA -0.210 4.463 4.660 0.022 0.000 0.289 742 W C 2.561 178.871 176.519 -0.349 0.000 1.215 742 W CA 0.929 57.913 57.345 -0.601 0.000 1.236 742 W CB -0.487 28.223 29.460 -1.249 0.000 1.130 742 W HN 0.655 nan 8.180 nan 0.000 0.541 743 S N 0.757 116.417 115.700 -0.068 0.000 2.469 743 S HA -0.194 4.290 4.470 0.023 0.000 0.238 743 S C 1.718 176.287 174.600 -0.053 0.000 0.998 743 S CA 1.091 59.270 58.200 -0.034 0.000 0.957 743 S CB -0.461 62.715 63.200 -0.039 0.000 0.764 743 S HN 0.420 nan 8.310 nan 0.000 0.514 744 R N 0.652 121.081 120.500 -0.118 0.000 2.299 744 R HA 0.246 4.600 4.340 0.023 0.000 0.197 744 R C 1.804 178.041 176.300 -0.106 0.000 0.971 744 R CA 0.351 56.361 56.100 -0.151 0.000 1.030 744 R CB -0.364 29.743 30.300 -0.323 0.000 0.932 744 R HN 0.487 nan 8.270 nan 0.000 0.477 745 I N 1.859 122.408 120.570 -0.035 0.000 2.113 745 I HA -0.269 3.914 4.170 0.023 0.000 0.242 745 I C -0.782 175.360 176.117 0.042 0.000 1.064 745 I CA 1.599 62.922 61.300 0.037 0.000 1.320 745 I CB -1.174 36.898 38.000 0.119 0.000 1.028 745 I HN 0.161 nan 8.210 nan 0.000 0.406 746 P HA -0.160 nan 4.420 nan 0.000 0.218 746 P C 1.241 178.568 177.300 0.045 0.000 1.148 746 P CA 1.492 64.622 63.100 0.049 0.000 0.822 746 P CB -0.021 31.707 31.700 0.046 0.000 0.784 747 K N -0.312 120.108 120.400 0.034 0.000 2.296 747 K HA 0.014 4.348 4.320 0.023 0.000 0.200 747 K C 1.951 178.600 176.600 0.081 0.000 1.048 747 K CA 0.754 57.080 56.287 0.065 0.000 0.966 747 K CB -0.912 31.646 32.500 0.095 0.000 0.754 747 K HN 0.317 nan 8.250 nan 0.000 0.466 748 I N -2.187 118.396 120.570 0.022 0.000 3.059 748 I HA -0.048 4.136 4.170 0.023 0.000 0.270 748 I C 1.499 177.648 176.117 0.052 0.000 1.238 748 I CA 0.879 62.192 61.300 0.023 0.000 1.478 748 I CB -0.014 37.951 38.000 -0.058 0.000 1.097 748 I HN -0.067 nan 8.210 nan 0.000 0.455 749 D N 2.862 123.298 120.400 0.059 0.000 2.154 749 D HA -0.235 4.419 4.640 0.023 0.000 0.190 749 D C 1.692 178.030 176.300 0.064 0.000 1.003 749 D CA 2.496 56.536 54.000 0.067 0.000 0.849 749 D CB 0.102 40.942 40.800 0.066 0.000 0.942 749 D HN 0.612 nan 8.370 nan 0.000 0.446 750 K N 0.472 120.910 120.400 0.062 0.000 2.696 750 K HA 0.078 4.412 4.320 0.023 0.000 0.169 750 K C 0.808 177.445 176.600 0.060 0.000 1.126 750 K CA -0.576 55.745 56.287 0.057 0.000 1.251 750 K CB -0.653 31.878 32.500 0.051 0.000 1.753 750 K HN 0.042 nan 8.250 nan 0.000 0.480 751 I N 2.322 122.929 120.570 0.061 0.000 7.683 751 I HA -0.106 4.078 4.170 0.023 0.000 0.126 751 I C -2.389 173.761 176.117 0.055 0.000 1.653 751 I CA -0.269 61.068 61.300 0.061 0.000 2.302 751 I CB -0.361 37.695 38.000 0.094 0.000 3.342 751 I HN 0.671 nan 8.210 nan 0.000 0.243 752 P HA 0.510 nan 4.420 nan 0.000 0.256 752 P C -0.565 176.793 177.300 0.097 0.000 1.689 752 P CA 0.034 63.172 63.100 0.064 0.000 1.124 752 P CB 0.650 32.382 31.700 0.053 0.000 1.766 753 A N 0.000 122.879 122.820 0.098 0.000 2.254 753 A HA 0.000 4.334 4.320 0.023 0.000 0.244 753 A CA 0.000 52.139 52.037 0.171 0.000 0.836 753 A CB 0.000 19.000 19.000 0.001 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486