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 3a79_1_B DATA FIRST_RESID 33 DATA SEQUENCE ESMVDYSNRN LTHVPKDLPP RTKALSLSQN SISELRMPDI SFLSELRVLR DATA SEQUENCE LSHNRIRSLD FHVFLFNQDL EYLDVSHNRL QNIScCPMAS LRHLDLSFND DATA SEQUENCE FDVLPVcKEF GNLTKLTFLG LSAAKFRQLD LLPVAHLHLS CILLDLVSYH DATA SEQUENCE IKGGETESLQ IPNTTVLHLV FHPNSLFSVQ VNMSVNALGH LQLSNIKLND DATA SEQUENCE ENcQRLMTFL SELTRGPTLL NVTLQHIETT WKcSVKLFQF FWPRPVEYLN DATA SEQUENCE IYNLTITERI DREEFTYSET ALKSLMIEHV KNQVFLFSKE ALYSVFAEMN DATA SEQUENCE IKMLSISDTP FIHMVcPPSP SSFTFLNFTQ NVFTDSVFQG cSTLKRLQTL DATA SEQUENCE ILQRNGLKNF FKVALMTKNM SSLETLDVSL NSLNSHAYDR TcAWAESILV DATA SEQUENCE LNLSSNMLTG SVFRcLPPKV KVLDLHNNRI MSIPKDVTHL QALQELNVAS DATA SEQUENCE NQLKSVPDGV FDRLTSLQYI WLHDNPWDcT cPGIRYLSEW INKHSGVVRN DATA SEQUENCE SAGSVAPDSA KcSGSGKPVR SIIcP 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 33 E HA 0.000 nan 4.350 nan 0.000 0.291 33 E C 0.000 176.562 176.600 -0.064 0.000 1.382 33 E CA 0.000 56.364 56.400 -0.059 0.000 0.976 33 E CB 0.000 29.656 29.700 -0.074 0.000 0.812 34 S N 0.130 115.796 115.700 -0.058 0.000 3.625 34 S HA -0.210 4.261 4.470 0.001 0.000 0.426 34 S C -0.248 174.305 174.600 -0.077 0.000 0.884 34 S CA 1.052 59.217 58.200 -0.059 0.000 1.322 34 S CB -1.155 62.017 63.200 -0.048 0.000 0.905 34 S HN 0.584 nan 8.310 nan 0.000 0.586 35 M N 3.805 123.352 119.600 -0.088 0.000 2.578 35 M HA 0.818 5.298 4.480 0.001 0.000 0.321 35 M C -1.159 175.059 176.300 -0.137 0.000 1.182 35 M CA -0.405 54.827 55.300 -0.113 0.000 0.965 35 M CB 2.220 34.752 32.600 -0.113 0.000 1.694 35 M HN 0.117 nan 8.290 nan 0.000 0.461 36 V N 3.125 122.929 119.914 -0.184 0.000 2.524 36 V HA 0.385 4.506 4.120 0.001 0.000 0.297 36 V C -1.438 174.469 176.094 -0.312 0.000 1.035 36 V CA -0.734 61.388 62.300 -0.296 0.000 0.867 36 V CB 1.598 33.176 31.823 -0.409 0.000 1.004 36 V HN 0.834 nan 8.190 nan 0.000 0.426 37 D N 3.681 123.930 120.400 -0.253 0.000 2.373 37 D HA 0.306 4.947 4.640 0.001 0.000 0.227 37 D C -0.744 175.545 176.300 -0.018 0.000 1.091 37 D CA -0.235 53.690 54.000 -0.125 0.000 0.840 37 D CB 1.014 41.777 40.800 -0.061 0.000 1.060 37 D HN 0.420 nan 8.370 nan 0.000 0.502 38 Y N 1.791 122.082 120.300 -0.014 0.000 2.736 38 Y HA 0.171 4.721 4.550 0.001 0.000 0.293 38 Y C 0.653 176.548 175.900 -0.008 0.000 1.062 38 Y CA -0.961 57.133 58.100 -0.011 0.000 1.247 38 Y CB -0.374 38.079 38.460 -0.011 0.000 1.200 38 Y HN 0.198 nan 8.280 nan 0.000 0.552 39 S N -0.525 115.256 115.700 0.135 0.000 2.603 39 S HA 0.160 4.630 4.470 0.001 0.000 0.268 39 S C 0.860 175.488 174.600 0.048 0.000 1.317 39 S CA -0.396 57.848 58.200 0.073 0.000 1.012 39 S CB 0.788 64.011 63.200 0.038 0.000 0.926 39 S HN 0.526 nan 8.310 nan 0.000 0.539 40 N N 0.036 118.750 118.700 0.023 0.000 2.765 40 N HA -0.172 4.568 4.740 0.001 0.000 0.248 40 N C 0.269 175.780 175.510 0.002 0.000 1.063 40 N CA 0.904 53.957 53.050 0.004 0.000 0.862 40 N CB -0.674 37.809 38.487 -0.006 0.000 1.145 40 N HN 0.634 nan 8.380 nan 0.000 0.581 41 R N 1.486 121.987 120.500 0.002 0.000 2.340 41 R HA 0.095 4.435 4.340 0.001 0.000 0.215 41 R C 0.572 176.848 176.300 -0.039 0.000 1.017 41 R CA -0.071 56.007 56.100 -0.037 0.000 1.111 41 R CB -0.484 29.755 30.300 -0.102 0.000 1.049 41 R HN 0.263 nan 8.270 nan 0.000 0.490 42 N N 0.532 119.224 118.700 -0.013 0.000 2.708 42 N HA -0.217 4.523 4.740 0.001 0.000 0.251 42 N C -0.241 175.273 175.510 0.007 0.000 1.123 42 N CA 0.670 53.719 53.050 -0.002 0.000 0.739 42 N CB -0.969 37.515 38.487 -0.005 0.000 1.113 42 N HN 0.238 nan 8.380 nan 0.000 0.561 43 L N -1.019 120.205 121.223 0.002 0.000 2.476 43 L HA 0.090 4.430 4.340 0.001 0.000 0.255 43 L C 1.835 178.745 176.870 0.067 0.000 1.218 43 L CA 0.608 55.454 54.840 0.010 0.000 0.819 43 L CB 0.531 42.564 42.059 -0.042 0.000 1.119 43 L HN -0.026 nan 8.230 nan 0.000 0.485 44 T N -2.826 111.816 114.554 0.146 0.000 3.098 44 T HA 0.140 4.491 4.350 0.001 0.000 0.256 44 T C -0.388 174.455 174.700 0.238 0.000 0.921 44 T CA -0.158 62.050 62.100 0.181 0.000 0.916 44 T CB 0.137 69.100 68.868 0.158 0.000 1.246 44 T HN 0.704 nan 8.240 nan 0.000 0.511 45 H N -0.552 118.535 119.070 0.028 0.000 2.864 45 H HA 0.707 5.264 4.556 0.001 0.000 0.354 45 H C -0.948 174.422 175.328 0.070 0.000 1.208 45 H CA -1.185 54.889 56.048 0.044 0.000 1.191 45 H CB 0.362 30.145 29.762 0.034 0.000 1.889 45 H HN -0.134 nan 8.280 nan 0.000 0.574 46 V N 2.147 122.082 119.914 0.035 0.000 2.339 46 V HA 0.173 4.294 4.120 0.001 0.000 0.261 46 V C -2.182 173.916 176.094 0.006 0.000 1.058 46 V CA -1.538 60.777 62.300 0.024 0.000 0.897 46 V CB 0.043 31.945 31.823 0.130 0.000 1.052 46 V HN 0.571 nan 8.190 nan 0.000 0.480 47 P HA -0.119 nan 4.420 nan 0.000 0.243 47 P C 0.959 178.316 177.300 0.094 0.000 1.107 47 P CA 0.347 63.407 63.100 -0.067 0.000 0.848 47 P CB 0.203 31.956 31.700 0.089 0.000 0.771 48 K N 2.978 123.386 120.400 0.014 0.000 2.574 48 K HA -0.136 4.185 4.320 0.001 0.000 0.193 48 K C 0.537 176.952 176.600 -0.308 0.000 1.035 48 K CA 1.425 57.602 56.287 -0.183 0.000 0.982 48 K CB -0.488 31.932 32.500 -0.133 0.000 0.795 48 K HN 0.374 nan 8.250 nan 0.000 0.491 49 D N 0.604 120.954 120.400 -0.084 0.000 2.327 49 D HA -0.010 4.631 4.640 0.001 0.000 0.205 49 D C 0.806 177.125 176.300 0.032 0.000 0.989 49 D CA -0.260 53.713 54.000 -0.044 0.000 0.873 49 D CB -0.342 40.463 40.800 0.009 0.000 0.955 49 D HN 0.085 nan 8.370 nan 0.000 0.515 50 L N 0.856 122.167 121.223 0.147 0.000 2.581 50 L HA 0.066 4.407 4.340 0.001 0.000 0.299 50 L C -1.866 175.113 176.870 0.182 0.000 1.261 50 L CA -0.968 53.993 54.840 0.202 0.000 0.866 50 L CB -0.382 41.846 42.059 0.281 0.000 1.113 50 L HN -0.060 nan 8.230 nan 0.000 0.514 51 P HA 0.026 nan 4.420 nan 0.000 0.262 51 P C -2.019 175.355 177.300 0.123 0.000 1.199 51 P CA -0.891 62.260 63.100 0.085 0.000 0.763 51 P CB 0.329 32.051 31.700 0.037 0.000 0.790 52 P HA -0.128 nan 4.420 nan 0.000 0.216 52 P C 0.895 178.245 177.300 0.082 0.000 1.150 52 P CA 1.501 64.703 63.100 0.170 0.000 0.843 52 P CB 0.101 31.876 31.700 0.125 0.000 0.787 53 R N -0.834 119.694 120.500 0.046 0.000 2.449 53 R HA 0.152 4.492 4.340 0.001 0.000 0.262 53 R C 0.109 176.407 176.300 -0.003 0.000 1.006 53 R CA 0.153 56.264 56.100 0.017 0.000 1.104 53 R CB -0.581 29.726 30.300 0.012 0.000 1.206 53 R HN 0.226 nan 8.270 nan 0.000 0.538 54 T N 0.762 115.313 114.554 -0.004 0.000 2.937 54 T HA 0.026 4.376 4.350 0.001 0.000 0.316 54 T C 1.215 175.888 174.700 -0.047 0.000 1.079 54 T CA 0.399 62.480 62.100 -0.031 0.000 1.131 54 T CB 1.355 70.201 68.868 -0.037 0.000 1.000 54 T HN 0.177 nan 8.240 nan 0.000 0.549 55 K N 0.401 120.766 120.400 -0.058 0.000 2.380 55 K HA 0.380 4.700 4.320 0.001 0.000 0.200 55 K C 0.568 177.119 176.600 -0.081 0.000 1.201 55 K CA -0.010 56.240 56.287 -0.062 0.000 0.916 55 K CB 0.753 33.220 32.500 -0.055 0.000 1.187 55 K HN 0.579 nan 8.250 nan 0.000 0.498 56 A N 2.103 124.864 122.820 -0.099 0.000 2.285 56 A HA 0.512 4.832 4.320 0.001 0.000 0.310 56 A C -1.376 176.135 177.584 -0.122 0.000 1.266 56 A CA -0.534 51.428 52.037 -0.126 0.000 0.832 56 A CB 0.679 19.584 19.000 -0.157 0.000 1.163 56 A HN 0.148 nan 8.150 nan 0.000 0.499 57 L N 2.878 124.040 121.223 -0.102 0.000 2.313 57 L HA 0.750 5.091 4.340 0.001 0.000 0.283 57 L C -0.137 176.698 176.870 -0.058 0.000 1.013 57 L CA -0.045 54.742 54.840 -0.088 0.000 0.816 57 L CB 1.803 43.829 42.059 -0.054 0.000 1.236 57 L HN 0.499 nan 8.230 nan 0.000 0.419 58 S N 5.297 120.962 115.700 -0.058 0.000 2.456 58 S HA 0.598 5.069 4.470 0.001 0.000 0.316 58 S C 0.060 174.692 174.600 0.052 0.000 1.089 58 S CA -0.542 57.653 58.200 -0.009 0.000 1.101 58 S CB 0.540 63.722 63.200 -0.031 0.000 0.995 58 S HN 0.727 nan 8.310 nan 0.000 0.468 59 L N 3.910 125.184 121.223 0.084 0.000 3.066 59 L HA 0.345 4.685 4.340 0.001 0.000 0.265 59 L C 1.028 177.958 176.870 0.100 0.000 1.232 59 L CA -0.264 54.644 54.840 0.113 0.000 1.031 59 L CB 0.478 42.606 42.059 0.114 0.000 1.379 59 L HN 0.661 nan 8.230 nan 0.000 0.563 60 S N 0.254 116.008 115.700 0.091 0.000 2.560 60 S HA -0.040 4.431 4.470 0.001 0.000 0.276 60 S C 0.767 175.417 174.600 0.082 0.000 1.350 60 S CA 0.205 58.466 58.200 0.101 0.000 1.024 60 S CB 0.454 63.706 63.200 0.087 0.000 0.864 60 S HN 0.502 nan 8.310 nan 0.000 0.536 61 Q N 0.942 120.802 119.800 0.099 0.000 2.451 61 Q HA -0.205 4.135 4.340 0.001 0.000 0.305 61 Q C -0.601 175.426 176.000 0.045 0.000 1.345 61 Q CA 1.544 57.376 55.803 0.049 0.000 0.854 61 Q CB -1.762 26.954 28.738 -0.036 0.000 1.162 61 Q HN 0.813 nan 8.270 nan 0.000 0.440 62 N N -2.265 116.476 118.700 0.068 0.000 3.255 62 N HA 0.610 5.351 4.740 0.001 0.000 0.359 62 N C -0.442 175.104 175.510 0.060 0.000 1.463 62 N CA -0.506 52.577 53.050 0.054 0.000 0.695 62 N CB 1.243 39.762 38.487 0.053 0.000 1.581 62 N HN -0.032 nan 8.380 nan 0.000 0.622 63 S N 0.055 115.788 115.700 0.055 0.000 2.809 63 S HA 0.377 4.848 4.470 0.001 0.000 0.248 63 S C -0.155 174.481 174.600 0.060 0.000 1.071 63 S CA -0.398 57.835 58.200 0.054 0.000 1.059 63 S CB -0.333 62.893 63.200 0.044 0.000 0.923 63 S HN 0.286 nan 8.310 nan 0.000 0.516 64 I N 1.380 121.991 120.570 0.068 0.000 2.752 64 I HA 0.057 4.227 4.170 0.001 0.000 0.287 64 I C 1.085 177.237 176.117 0.059 0.000 1.188 64 I CA 0.410 61.753 61.300 0.072 0.000 1.427 64 I CB 1.029 39.075 38.000 0.077 0.000 1.365 64 I HN 0.191 nan 8.210 nan 0.000 0.585 65 S N 2.794 118.524 115.700 0.051 0.000 2.727 65 S HA 0.092 4.563 4.470 0.001 0.000 0.249 65 S C -0.064 174.550 174.600 0.024 0.000 1.079 65 S CA -0.307 57.913 58.200 0.034 0.000 0.912 65 S CB 0.422 63.638 63.200 0.028 0.000 0.861 65 S HN 0.801 nan 8.310 nan 0.000 0.484 66 E N 0.702 120.919 120.200 0.028 0.000 2.343 66 E HA 0.651 5.002 4.350 0.001 0.000 0.270 66 E C -1.471 175.139 176.600 0.017 0.000 0.895 66 E CA -0.950 55.458 56.400 0.013 0.000 0.767 66 E CB 1.843 31.549 29.700 0.010 0.000 1.248 66 E HN 0.042 nan 8.360 nan 0.000 0.440 67 L N 2.238 123.453 121.223 -0.013 0.000 2.433 67 L HA 0.411 4.751 4.340 0.001 0.000 0.256 67 L C -1.058 175.769 176.870 -0.071 0.000 1.063 67 L CA -0.517 54.304 54.840 -0.031 0.000 0.922 67 L CB 0.598 42.626 42.059 -0.052 0.000 1.238 67 L HN 0.472 nan 8.230 nan 0.000 0.466 68 R N 2.374 122.860 120.500 -0.023 0.000 2.560 68 R HA 0.239 4.579 4.340 0.001 0.000 0.270 68 R C 1.073 177.361 176.300 -0.021 0.000 1.074 68 R CA -0.508 55.581 56.100 -0.017 0.000 1.140 68 R CB 0.585 30.897 30.300 0.021 0.000 1.073 68 R HN 0.735 nan 8.270 nan 0.000 0.527 69 M N 2.361 121.958 119.600 -0.005 0.000 2.065 69 M HA -0.115 4.365 4.480 0.001 0.000 0.259 69 M C -0.836 175.513 176.300 0.082 0.000 1.069 69 M CA 2.094 57.408 55.300 0.024 0.000 1.110 69 M CB -0.801 31.844 32.600 0.076 0.000 1.328 69 M HN 0.255 nan 8.290 nan 0.000 0.405 70 P HA -0.089 nan 4.420 nan 0.000 0.231 70 P C 0.049 177.457 177.300 0.179 0.000 1.158 70 P CA 1.139 64.313 63.100 0.122 0.000 0.763 70 P CB -0.256 31.496 31.700 0.087 0.000 0.805 71 D N -0.724 119.765 120.400 0.148 0.000 2.234 71 D HA -0.033 4.607 4.640 0.001 0.000 0.205 71 D C 1.548 177.984 176.300 0.227 0.000 0.962 71 D CA 0.992 55.108 54.000 0.193 0.000 0.855 71 D CB -0.128 40.742 40.800 0.116 0.000 0.951 71 D HN 0.345 nan 8.370 nan 0.000 0.500 72 I N -3.866 116.756 120.570 0.087 0.000 4.442 72 I HA 0.263 4.433 4.170 0.001 0.000 0.331 72 I C 1.310 177.334 176.117 -0.155 0.000 1.364 72 I CA -0.177 61.048 61.300 -0.125 0.000 1.207 72 I CB 0.586 38.567 38.000 -0.031 0.000 1.298 72 I HN -0.322 nan 8.210 nan 0.000 0.463 73 S N 2.704 118.436 115.700 0.053 0.000 2.372 73 S HA -0.241 4.229 4.470 0.001 0.000 0.227 73 S C 1.758 176.359 174.600 0.003 0.000 1.044 73 S CA 2.618 60.870 58.200 0.087 0.000 1.050 73 S CB -0.671 62.566 63.200 0.063 0.000 0.901 73 S HN 0.787 nan 8.310 nan 0.000 0.447 74 F N 1.144 121.090 119.950 -0.007 0.000 2.325 74 F HA 0.230 4.758 4.527 0.001 0.000 0.299 74 F C 0.823 176.631 175.800 0.013 0.000 1.090 74 F CA 0.207 58.195 58.000 -0.020 0.000 1.392 74 F CB -0.773 38.217 39.000 -0.017 0.000 1.053 74 F HN -0.037 nan 8.300 nan 0.000 0.521 75 L N 2.433 123.258 121.223 -0.663 0.000 2.511 75 L HA 0.125 4.466 4.340 0.001 0.000 0.239 75 L C 1.876 178.663 176.870 -0.139 0.000 1.400 75 L CA -0.005 54.601 54.840 -0.390 0.000 1.226 75 L CB -0.619 41.137 42.059 -0.505 0.000 1.475 75 L HN 0.383 nan 8.230 nan 0.000 0.428 76 S N -0.977 114.697 115.700 -0.043 0.000 2.469 76 S HA -0.186 4.285 4.470 0.001 0.000 0.238 76 S C 1.531 176.137 174.600 0.010 0.000 0.998 76 S CA 1.120 59.331 58.200 0.018 0.000 0.957 76 S CB 0.052 63.278 63.200 0.044 0.000 0.764 76 S HN 0.602 nan 8.310 nan 0.000 0.514 77 E N -0.229 119.964 120.200 -0.012 0.000 2.481 77 E HA 0.350 4.700 4.350 0.001 0.000 0.198 77 E C -0.077 176.507 176.600 -0.026 0.000 1.027 77 E CA -0.343 56.050 56.400 -0.012 0.000 0.900 77 E CB 0.114 29.807 29.700 -0.011 0.000 0.993 77 E HN 0.433 nan 8.360 nan 0.000 0.482 78 L N 1.307 122.507 121.223 -0.038 0.000 2.601 78 L HA -0.033 4.307 4.340 0.001 0.000 0.277 78 L C 0.760 177.607 176.870 -0.039 0.000 1.219 78 L CA 1.097 55.909 54.840 -0.046 0.000 0.915 78 L CB 0.432 42.461 42.059 -0.049 0.000 1.160 78 L HN 0.063 nan 8.230 nan 0.000 0.494 79 R N 2.731 123.203 120.500 -0.047 0.000 2.191 79 R HA 0.298 4.638 4.340 0.001 0.000 0.196 79 R C -0.552 175.726 176.300 -0.036 0.000 0.991 79 R CA 0.062 56.138 56.100 -0.041 0.000 1.075 79 R CB 0.534 30.808 30.300 -0.044 0.000 1.040 79 R HN 0.448 nan 8.270 nan 0.000 0.526 80 V N 2.238 122.113 119.914 -0.065 0.000 2.540 80 V HA 0.365 4.486 4.120 0.001 0.000 0.302 80 V C -1.253 174.809 176.094 -0.053 0.000 1.035 80 V CA -0.865 61.383 62.300 -0.087 0.000 0.873 80 V CB 1.989 33.656 31.823 -0.261 0.000 0.992 80 V HN 0.038 nan 8.190 nan 0.000 0.428 81 L N 6.187 127.432 121.223 0.037 0.000 2.446 81 L HA 0.627 4.967 4.340 0.001 0.000 0.268 81 L C -0.434 176.517 176.870 0.134 0.000 0.975 81 L CA -0.184 54.694 54.840 0.063 0.000 0.848 81 L CB 1.468 43.579 42.059 0.087 0.000 1.225 81 L HN 0.590 nan 8.230 nan 0.000 0.410 82 R N 5.886 126.437 120.500 0.086 0.000 2.265 82 R HA 0.499 4.839 4.340 0.001 0.000 0.328 82 R C -0.224 176.154 176.300 0.131 0.000 0.969 82 R CA -0.454 55.726 56.100 0.134 0.000 0.832 82 R CB 1.469 31.803 30.300 0.056 0.000 1.139 82 R HN 0.728 nan 8.270 nan 0.000 0.457 83 L N 1.567 122.887 121.223 0.162 0.000 3.184 83 L HA 0.108 4.449 4.340 0.001 0.000 0.283 83 L C -0.017 176.948 176.870 0.157 0.000 1.218 83 L CA -0.054 54.876 54.840 0.151 0.000 1.028 83 L CB 0.976 43.131 42.059 0.160 0.000 1.400 83 L HN 0.626 nan 8.230 nan 0.000 0.591 84 S N -0.372 115.434 115.700 0.175 0.000 2.553 84 S HA -0.114 4.357 4.470 0.001 0.000 0.293 84 S C 0.420 175.151 174.600 0.217 0.000 1.296 84 S CA 0.005 58.318 58.200 0.189 0.000 1.046 84 S CB -0.123 63.216 63.200 0.232 0.000 0.810 84 S HN 0.434 nan 8.310 nan 0.000 0.505 85 H N 0.388 119.539 119.070 0.135 0.000 2.591 85 H HA -0.149 4.408 4.556 0.001 0.000 0.325 85 H C -0.012 175.358 175.328 0.071 0.000 1.096 85 H CA 0.918 57.015 56.048 0.082 0.000 1.108 85 H CB -1.632 28.125 29.762 -0.008 0.000 1.590 85 H HN 0.682 nan 8.280 nan 0.000 0.399 86 N N 0.169 118.953 118.700 0.140 0.000 3.357 86 N HA 0.428 5.169 4.740 0.001 0.000 0.359 86 N C 0.914 176.470 175.510 0.078 0.000 1.477 86 N CA -0.705 52.408 53.050 0.106 0.000 0.645 86 N CB 0.973 39.517 38.487 0.096 0.000 1.703 86 N HN 0.150 nan 8.380 nan 0.000 0.597 87 R N 0.132 120.667 120.500 0.059 0.000 2.592 87 R HA 0.386 4.726 4.340 0.001 0.000 0.439 87 R C -0.635 175.678 176.300 0.021 0.000 0.995 87 R CA -0.183 55.940 56.100 0.038 0.000 1.141 87 R CB -0.143 30.180 30.300 0.039 0.000 1.495 87 R HN 0.470 nan 8.270 nan 0.000 0.579 88 I N 1.547 122.131 120.570 0.023 0.000 2.618 88 I HA 0.049 4.220 4.170 0.001 0.000 0.284 88 I C 1.580 177.682 176.117 -0.025 0.000 1.146 88 I CA 0.333 61.637 61.300 0.007 0.000 1.425 88 I CB 0.800 38.812 38.000 0.020 0.000 1.383 88 I HN -0.006 nan 8.210 nan 0.000 0.562 89 R N 2.590 123.070 120.500 -0.033 0.000 2.103 89 R HA 0.139 4.479 4.340 0.001 0.000 0.212 89 R C 0.646 176.905 176.300 -0.068 0.000 1.107 89 R CA 0.388 56.452 56.100 -0.060 0.000 1.025 89 R CB 0.290 30.565 30.300 -0.042 0.000 0.929 89 R HN 0.606 nan 8.270 nan 0.000 0.456 90 S N 0.164 115.839 115.700 -0.042 0.000 2.578 90 S HA 0.517 4.987 4.470 0.001 0.000 0.301 90 S C -1.231 173.338 174.600 -0.052 0.000 1.091 90 S CA -0.636 57.542 58.200 -0.036 0.000 1.032 90 S CB 1.073 64.259 63.200 -0.023 0.000 1.064 90 S HN 0.116 nan 8.310 nan 0.000 0.508 91 L N 3.507 124.683 121.223 -0.078 0.000 2.406 91 L HA 0.437 4.777 4.340 0.001 0.000 0.270 91 L C -1.485 175.226 176.870 -0.266 0.000 0.982 91 L CA -0.543 54.194 54.840 -0.171 0.000 0.843 91 L CB 1.589 43.528 42.059 -0.200 0.000 1.225 91 L HN 0.630 nan 8.230 nan 0.000 0.412 92 D N 3.870 124.149 120.400 -0.201 0.000 2.380 92 D HA 0.140 4.781 4.640 0.001 0.000 0.230 92 D C 0.779 177.019 176.300 -0.100 0.000 1.154 92 D CA -0.099 53.829 54.000 -0.120 0.000 0.859 92 D CB 0.726 41.505 40.800 -0.036 0.000 1.045 92 D HN 0.388 nan 8.370 nan 0.000 0.495 93 F N 1.706 121.738 119.950 0.136 0.000 2.583 93 F HA -0.100 4.428 4.527 0.001 0.000 0.297 93 F C 1.959 177.875 175.800 0.192 0.000 1.131 93 F CA 0.372 58.508 58.000 0.228 0.000 1.467 93 F CB 0.045 39.168 39.000 0.206 0.000 1.097 93 F HN 0.553 nan 8.300 nan 0.000 0.586 94 H N -0.860 118.309 119.070 0.166 0.000 2.482 94 H HA -0.039 4.518 4.556 0.001 0.000 0.286 94 H C 2.179 177.511 175.328 0.007 0.000 1.017 94 H CA 0.807 56.905 56.048 0.084 0.000 1.322 94 H CB -0.134 29.655 29.762 0.044 0.000 1.426 94 H HN 0.011 nan 8.280 nan 0.000 0.546 95 V N 0.345 120.209 119.914 -0.085 0.000 2.428 95 V HA -0.310 3.811 4.120 0.001 0.000 0.255 95 V C 1.193 177.099 176.094 -0.313 0.000 1.080 95 V CA 1.974 64.118 62.300 -0.261 0.000 1.083 95 V CB -0.695 30.870 31.823 -0.430 0.000 0.665 95 V HN 0.450 nan 8.190 nan 0.000 0.461 96 F N -0.780 119.171 119.950 0.003 0.000 2.695 96 F HA 0.125 4.653 4.527 0.001 0.000 0.301 96 F C 1.598 177.334 175.800 -0.107 0.000 1.182 96 F CA -0.203 57.792 58.000 -0.007 0.000 1.412 96 F CB -0.237 38.792 39.000 0.048 0.000 1.056 96 F HN 0.133 nan 8.300 nan 0.000 0.522 97 L N -0.060 121.063 121.223 -0.166 0.000 2.081 97 L HA -0.209 4.132 4.340 0.001 0.000 0.212 97 L C 1.408 178.034 176.870 -0.407 0.000 1.080 97 L CA 2.117 56.690 54.840 -0.445 0.000 0.754 97 L CB -0.839 40.701 42.059 -0.865 0.000 0.893 97 L HN 0.175 nan 8.230 nan 0.000 0.433 98 F N -0.966 118.974 119.950 -0.017 0.000 2.749 98 F HA 0.183 4.710 4.527 0.001 0.000 0.300 98 F C 0.605 176.410 175.800 0.008 0.000 1.103 98 F CA -0.322 57.677 58.000 -0.002 0.000 1.342 98 F CB -0.329 38.671 39.000 0.000 0.000 1.098 98 F HN 0.164 nan 8.300 nan 0.000 0.586 99 N N 1.041 119.835 118.700 0.157 0.000 3.298 99 N HA 0.035 4.775 4.740 0.001 0.000 0.292 99 N C 0.842 176.377 175.510 0.042 0.000 1.271 99 N CA -0.108 53.000 53.050 0.096 0.000 1.184 99 N CB -0.005 38.551 38.487 0.116 0.000 1.452 99 N HN 0.075 nan 8.380 nan 0.000 0.534 100 Q N -0.117 119.703 119.800 0.032 0.000 2.576 100 Q HA -0.109 4.231 4.340 0.001 0.000 0.218 100 Q C -0.069 175.925 176.000 -0.010 0.000 0.983 100 Q CA 1.055 56.860 55.803 0.002 0.000 0.920 100 Q CB 0.213 28.957 28.738 0.011 0.000 0.973 100 Q HN 0.521 nan 8.270 nan 0.000 0.528 101 D N -0.703 119.691 120.400 -0.010 0.000 2.469 101 D HA 0.068 4.709 4.640 0.001 0.000 0.213 101 D C -0.110 176.169 176.300 -0.034 0.000 1.135 101 D CA -0.299 53.689 54.000 -0.019 0.000 0.834 101 D CB 0.392 41.185 40.800 -0.011 0.000 1.009 101 D HN 0.079 nan 8.370 nan 0.000 0.507 102 L N 2.476 123.667 121.223 -0.052 0.000 2.562 102 L HA 0.052 4.393 4.340 0.001 0.000 0.271 102 L C 1.280 178.103 176.870 -0.079 0.000 1.167 102 L CA 0.729 55.519 54.840 -0.083 0.000 0.917 102 L CB 0.251 42.211 42.059 -0.165 0.000 1.187 102 L HN 0.043 nan 8.230 nan 0.000 0.482 103 E N 4.030 124.211 120.200 -0.031 0.000 2.465 103 E HA 0.010 4.360 4.350 0.001 0.000 0.209 103 E C -0.418 176.221 176.600 0.065 0.000 0.951 103 E CA -0.174 56.225 56.400 -0.000 0.000 0.997 103 E CB 0.252 29.962 29.700 0.016 0.000 1.025 103 E HN 0.576 nan 8.360 nan 0.000 0.500 104 Y N 1.403 121.652 120.300 -0.086 0.000 2.326 104 Y HA 0.466 5.016 4.550 0.001 0.000 0.329 104 Y C -1.632 174.216 175.900 -0.087 0.000 0.973 104 Y CA -1.625 56.424 58.100 -0.086 0.000 1.162 104 Y CB 1.544 39.893 38.460 -0.186 0.000 1.147 104 Y HN 0.043 nan 8.280 nan 0.000 0.456 105 L N 6.884 128.114 121.223 0.011 0.000 2.376 105 L HA 0.485 4.826 4.340 0.001 0.000 0.275 105 L C -1.815 175.084 176.870 0.048 0.000 0.987 105 L CA -0.384 54.489 54.840 0.054 0.000 0.828 105 L CB 1.686 43.714 42.059 -0.052 0.000 1.249 105 L HN 0.741 nan 8.230 nan 0.000 0.409 106 D N 3.799 124.291 120.400 0.154 0.000 2.446 106 D HA 0.368 5.009 4.640 0.001 0.000 0.251 106 D C -0.439 175.978 176.300 0.194 0.000 1.137 106 D CA -0.237 53.862 54.000 0.166 0.000 0.890 106 D CB 1.166 42.105 40.800 0.232 0.000 1.071 106 D HN 0.301 nan 8.370 nan 0.000 0.528 107 V N 2.908 122.939 119.914 0.195 0.000 3.043 107 V HA 0.146 4.266 4.120 0.001 0.000 0.357 107 V C 1.140 177.334 176.094 0.167 0.000 1.372 107 V CA -0.204 62.206 62.300 0.184 0.000 1.214 107 V CB -0.918 31.023 31.823 0.196 0.000 1.224 107 V HN 0.597 nan 8.190 nan 0.000 0.507 108 S N -0.307 115.499 115.700 0.176 0.000 2.611 108 S HA -0.008 4.463 4.470 0.001 0.000 0.252 108 S C 0.809 175.457 174.600 0.080 0.000 1.369 108 S CA 0.090 58.374 58.200 0.141 0.000 0.975 108 S CB -0.235 63.088 63.200 0.206 0.000 0.937 108 S HN 0.653 nan 8.310 nan 0.000 0.584 109 H N -0.417 118.654 119.070 0.002 0.000 2.636 109 H HA -0.154 4.403 4.556 0.001 0.000 0.312 109 H C 0.039 175.303 175.328 -0.107 0.000 1.106 109 H CA 1.142 57.083 56.048 -0.179 0.000 1.139 109 H CB -2.093 27.199 29.762 -0.783 0.000 1.423 109 H HN 0.586 nan 8.280 nan 0.000 0.407 110 N N 0.204 118.926 118.700 0.036 0.000 2.849 110 N HA 0.351 5.092 4.740 0.001 0.000 0.307 110 N C 1.093 176.596 175.510 -0.012 0.000 1.370 110 N CA -0.446 52.619 53.050 0.026 0.000 0.790 110 N CB 0.735 39.237 38.487 0.026 0.000 1.117 110 N HN 0.147 nan 8.380 nan 0.000 0.495 111 R N -0.053 120.417 120.500 -0.051 0.000 2.668 111 R HA 0.353 4.694 4.340 0.001 0.000 0.435 111 R C -0.622 175.563 176.300 -0.191 0.000 1.059 111 R CA -0.238 55.807 56.100 -0.092 0.000 1.073 111 R CB -0.084 30.188 30.300 -0.047 0.000 1.401 111 R HN 0.311 nan 8.270 nan 0.000 0.590 112 L N 1.974 123.029 121.223 -0.279 0.000 2.506 112 L HA -0.117 4.223 4.340 0.001 0.000 0.281 112 L C 1.560 177.939 176.870 -0.818 0.000 1.228 112 L CA 1.086 55.645 54.840 -0.467 0.000 0.850 112 L CB 0.464 42.247 42.059 -0.461 0.000 1.110 112 L HN 0.407 nan 8.230 nan 0.000 0.496 113 Q N 0.455 119.911 119.800 -0.572 0.000 2.106 113 Q HA 0.165 4.506 4.340 0.001 0.000 0.230 113 Q C -0.100 175.935 176.000 0.058 0.000 0.720 113 Q CA -0.413 55.168 55.803 -0.370 0.000 0.899 113 Q CB 0.534 29.169 28.738 -0.171 0.000 1.232 113 Q HN 0.590 nan 8.270 nan 0.000 0.461 114 N N 0.554 119.307 118.700 0.089 0.000 2.292 114 N HA 0.671 5.412 4.740 0.001 0.000 0.303 114 N C -1.724 173.913 175.510 0.212 0.000 1.140 114 N CA -0.638 52.517 53.050 0.176 0.000 0.788 114 N CB 1.904 40.435 38.487 0.073 0.000 1.361 114 N HN 0.289 nan 8.380 nan 0.000 0.489 115 I N 0.658 121.341 120.570 0.188 0.000 2.710 115 I HA 0.094 4.265 4.170 0.001 0.000 0.290 115 I C -0.326 175.881 176.117 0.150 0.000 1.318 115 I CA -0.658 60.720 61.300 0.131 0.000 1.045 115 I CB 1.930 40.079 38.000 0.248 0.000 1.307 115 I HN 0.505 nan 8.210 nan 0.000 0.424 116 S N 3.356 119.117 115.700 0.101 0.000 2.558 116 S HA -0.039 4.431 4.470 0.001 0.000 0.291 116 S C 1.097 175.961 174.600 0.441 0.000 1.306 116 S CA -0.029 58.324 58.200 0.254 0.000 1.056 116 S CB 0.596 63.977 63.200 0.301 0.000 0.836 116 S HN 0.786 nan 8.310 nan 0.000 0.504 117 c N 3.643 122.433 118.600 0.318 0.000 2.481 117 c HA 0.207 4.778 4.570 0.001 0.000 0.275 117 c C 1.418 175.718 174.090 0.351 0.000 1.419 117 c CA -0.260 56.272 56.329 0.339 0.000 1.773 117 c CB -1.186 41.442 42.510 0.197 0.000 1.862 117 c HN 0.839 nan 8.230 nan 0.000 0.530 118 C N 2.292 121.740 119.300 0.246 0.000 2.317 118 C HA 0.418 4.879 4.460 0.001 0.000 0.306 118 C C -2.503 172.402 174.990 -0.141 0.000 1.087 118 C CA -1.855 57.195 59.018 0.054 0.000 1.529 118 C CB -0.807 26.972 27.740 0.065 0.000 1.880 118 C HN 0.370 nan 8.230 nan 0.000 0.417 119 P HA 0.123 nan 4.420 nan 0.000 0.269 119 P C 0.121 177.080 177.300 -0.568 0.000 1.209 119 P CA 0.211 62.590 63.100 -1.203 0.000 0.776 119 P CB 0.407 31.230 31.700 -1.463 0.000 0.876 120 M N 1.074 120.421 119.600 -0.421 0.000 2.260 120 M HA 0.175 4.655 4.480 0.001 0.000 0.348 120 M C 0.801 176.967 176.300 -0.222 0.000 1.342 120 M CA 0.224 55.394 55.300 -0.217 0.000 1.040 120 M CB -0.256 32.257 32.600 -0.145 0.000 1.810 120 M HN 0.370 nan 8.290 nan 0.000 0.453 121 A N 2.728 125.459 122.820 -0.150 0.000 2.178 121 A HA -0.066 4.254 4.320 0.001 0.000 0.218 121 A C 2.162 179.685 177.584 -0.102 0.000 1.157 121 A CA 1.634 53.597 52.037 -0.123 0.000 0.689 121 A CB -0.458 18.494 19.000 -0.080 0.000 0.787 121 A HN 0.945 nan 8.150 nan 0.000 0.465 122 S N -0.740 114.899 115.700 -0.102 0.000 2.561 122 S HA 0.118 4.589 4.470 0.001 0.000 0.225 122 S C 0.537 175.088 174.600 -0.081 0.000 0.977 122 S CA -0.219 57.934 58.200 -0.078 0.000 0.926 122 S CB -0.609 62.548 63.200 -0.071 0.000 0.769 122 S HN 0.285 nan 8.310 nan 0.000 0.533 123 L N 2.289 123.440 121.223 -0.120 0.000 2.490 123 L HA 0.246 4.587 4.340 0.001 0.000 0.274 123 L C 1.378 178.218 176.870 -0.051 0.000 1.201 123 L CA 1.015 55.790 54.840 -0.110 0.000 0.869 123 L CB 0.348 42.295 42.059 -0.186 0.000 1.123 123 L HN 0.230 nan 8.230 nan 0.000 0.484 124 R N 1.179 121.680 120.500 0.002 0.000 2.507 124 R HA 0.153 4.494 4.340 0.001 0.000 0.230 124 R C -0.321 176.043 176.300 0.108 0.000 0.897 124 R CA -0.172 55.958 56.100 0.050 0.000 1.006 124 R CB 0.644 30.985 30.300 0.068 0.000 1.341 124 R HN 0.679 nan 8.270 nan 0.000 0.604 125 H N 0.587 119.618 119.070 -0.064 0.000 3.172 125 H HA 0.330 4.887 4.556 0.001 0.000 0.322 125 H C -1.886 173.316 175.328 -0.210 0.000 1.003 125 H CA -0.830 55.131 56.048 -0.146 0.000 1.466 125 H CB 1.181 30.680 29.762 -0.439 0.000 1.673 125 H HN -0.109 nan 8.280 nan 0.000 0.512 126 L N 5.180 126.373 121.223 -0.050 0.000 2.342 126 L HA 0.409 4.749 4.340 0.001 0.000 0.276 126 L C -1.384 175.546 176.870 0.101 0.000 0.997 126 L CA -0.432 54.416 54.840 0.012 0.000 0.838 126 L CB 1.391 43.433 42.059 -0.029 0.000 1.224 126 L HN 0.700 nan 8.230 nan 0.000 0.416 127 D N 5.120 125.599 120.400 0.133 0.000 2.414 127 D HA 0.349 4.989 4.640 0.001 0.000 0.232 127 D C -0.080 176.358 176.300 0.230 0.000 1.070 127 D CA -0.124 54.021 54.000 0.243 0.000 0.839 127 D CB 1.044 41.992 40.800 0.246 0.000 1.079 127 D HN 0.667 nan 8.370 nan 0.000 0.521 128 L N 2.530 123.888 121.223 0.225 0.000 3.066 128 L HA 0.179 4.520 4.340 0.001 0.000 0.265 128 L C 1.003 178.006 176.870 0.222 0.000 1.232 128 L CA -0.466 54.533 54.840 0.266 0.000 1.031 128 L CB 0.158 42.409 42.059 0.320 0.000 1.379 128 L HN 0.213 nan 8.230 nan 0.000 0.563 129 S N -0.738 115.055 115.700 0.156 0.000 2.600 129 S HA 0.357 4.828 4.470 0.001 0.000 0.265 129 S C 0.335 174.958 174.600 0.038 0.000 1.325 129 S CA -0.401 57.813 58.200 0.023 0.000 1.002 129 S CB 0.162 63.380 63.200 0.031 0.000 0.921 129 S HN 0.246 nan 8.310 nan 0.000 0.554 130 F N -0.040 119.807 119.950 -0.170 0.000 2.773 130 F HA -0.202 4.325 4.527 0.001 0.000 0.251 130 F C 0.150 175.838 175.800 -0.186 0.000 1.020 130 F CA 0.637 58.471 58.000 -0.277 0.000 0.924 130 F CB -2.476 36.064 39.000 -0.767 0.000 0.919 130 F HN 0.679 nan 8.300 nan 0.000 0.846 131 N N -0.540 118.162 118.700 0.003 0.000 3.294 131 N HA 0.375 5.116 4.740 0.001 0.000 0.355 131 N C -0.324 175.115 175.510 -0.118 0.000 1.497 131 N CA -0.911 52.090 53.050 -0.082 0.000 0.707 131 N CB 0.573 38.940 38.487 -0.200 0.000 1.732 131 N HN 0.194 nan 8.380 nan 0.000 0.640 132 D N 0.035 120.269 120.400 -0.276 0.000 2.894 132 D HA 0.220 4.861 4.640 0.001 0.000 0.273 132 D C -0.841 175.332 176.300 -0.212 0.000 1.328 132 D CA -0.182 53.709 54.000 -0.181 0.000 0.845 132 D CB -0.025 40.696 40.800 -0.133 0.000 1.072 132 D HN 0.261 nan 8.370 nan 0.000 0.484 133 F N 0.942 120.878 119.950 -0.024 0.000 2.495 133 F HA 0.009 4.537 4.527 0.001 0.000 0.365 133 F C 1.859 177.619 175.800 -0.067 0.000 1.090 133 F CA -0.489 57.487 58.000 -0.040 0.000 1.235 133 F CB 1.022 39.996 39.000 -0.043 0.000 1.119 133 F HN -0.031 nan 8.300 nan 0.000 0.562 134 D N 1.865 122.344 120.400 0.132 0.000 2.077 134 D HA -0.131 4.510 4.640 0.001 0.000 0.193 134 D C 0.036 176.311 176.300 -0.041 0.000 0.989 134 D CA 1.308 55.325 54.000 0.027 0.000 0.831 134 D CB 0.204 41.017 40.800 0.022 0.000 0.979 134 D HN 0.165 nan 8.370 nan 0.000 0.449 135 V N 0.686 120.580 119.914 -0.033 0.000 2.769 135 V HA 0.242 4.363 4.120 0.001 0.000 0.312 135 V C -0.674 175.326 176.094 -0.156 0.000 1.061 135 V CA -1.030 61.185 62.300 -0.140 0.000 0.931 135 V CB 1.820 33.571 31.823 -0.120 0.000 1.010 135 V HN 0.065 nan 8.190 nan 0.000 0.433 136 L N 8.390 129.488 121.223 -0.208 0.000 2.848 136 L HA 0.022 4.362 4.340 0.001 0.000 0.286 136 L C -1.506 175.178 176.870 -0.309 0.000 1.150 136 L CA -0.111 54.602 54.840 -0.211 0.000 0.958 136 L CB -0.118 41.882 42.059 -0.099 0.000 1.322 136 L HN 0.540 nan 8.230 nan 0.000 0.469 137 P HA -0.006 nan 4.420 nan 0.000 0.252 137 P C 0.071 177.052 177.300 -0.532 0.000 1.265 137 P CA 0.066 62.850 63.100 -0.526 0.000 0.775 137 P CB 0.045 31.181 31.700 -0.940 0.000 1.128 138 V N 1.284 120.810 119.914 -0.648 0.000 2.390 138 V HA -0.014 4.106 4.120 0.001 0.000 0.260 138 V C 0.905 176.445 176.094 -0.925 0.000 1.043 138 V CA -0.012 61.566 62.300 -1.204 0.000 1.047 138 V CB -1.164 30.246 31.823 -0.687 0.000 1.066 138 V HN 0.214 nan 8.190 nan 0.000 0.481 139 c N 4.879 122.856 118.600 -1.038 0.000 2.396 139 c HA 0.224 4.794 4.570 0.001 0.000 0.359 139 c C 2.150 176.151 174.090 -0.148 0.000 1.307 139 c CA -0.729 55.410 56.329 -0.316 0.000 2.392 139 c CB 1.014 43.521 42.510 -0.004 0.000 2.245 139 c HN 1.007 nan 8.230 nan 0.000 0.615 140 K N 0.523 120.910 120.400 -0.022 0.000 2.209 140 K HA -0.138 4.183 4.320 0.001 0.000 0.204 140 K C 0.994 177.653 176.600 0.098 0.000 1.048 140 K CA 1.929 58.229 56.287 0.021 0.000 0.940 140 K CB -0.135 32.371 32.500 0.011 0.000 0.729 140 K HN 0.611 nan 8.250 nan 0.000 0.451 141 E N 0.649 120.951 120.200 0.169 0.000 2.347 141 E HA -0.004 4.346 4.350 0.001 0.000 0.196 141 E C 1.064 177.780 176.600 0.193 0.000 1.008 141 E CA 0.665 57.158 56.400 0.156 0.000 0.852 141 E CB -0.287 29.491 29.700 0.130 0.000 0.783 141 E HN 0.367 nan 8.360 nan 0.000 0.505 142 F N 0.034 119.959 119.950 -0.042 0.000 2.481 142 F HA -0.144 4.384 4.527 0.001 0.000 0.297 142 F C 2.158 177.931 175.800 -0.044 0.000 1.095 142 F CA 0.381 58.347 58.000 -0.058 0.000 1.465 142 F CB -0.062 38.905 39.000 -0.056 0.000 1.098 142 F HN 0.182 nan 8.300 nan 0.000 0.585 143 G N -0.317 108.564 108.800 0.136 0.000 2.448 143 G HA2 -0.294 3.666 3.960 0.001 0.000 0.218 143 G HA3 -0.294 3.666 3.960 0.001 0.000 0.218 143 G C 1.395 176.309 174.900 0.023 0.000 1.135 143 G CA 0.645 45.784 45.100 0.066 0.000 0.784 143 G HN 0.275 nan 8.290 nan 0.000 0.543 144 N N 0.387 119.088 118.700 0.002 0.000 2.459 144 N HA 0.011 4.751 4.740 0.001 0.000 0.181 144 N C 1.366 176.846 175.510 -0.051 0.000 1.046 144 N CA 0.079 53.112 53.050 -0.027 0.000 0.904 144 N CB -0.294 38.172 38.487 -0.036 0.000 0.964 144 N HN 0.217 nan 8.380 nan 0.000 0.444 145 L N 1.434 122.612 121.223 -0.075 0.000 2.697 145 L HA 0.033 4.374 4.340 0.001 0.000 0.239 145 L C 1.791 178.639 176.870 -0.038 0.000 1.430 145 L CA 0.144 54.925 54.840 -0.098 0.000 1.193 145 L CB -1.168 40.790 42.059 -0.168 0.000 1.516 145 L HN 0.252 nan 8.230 nan 0.000 0.439 146 T N -1.822 112.722 114.554 -0.016 0.000 2.803 146 T HA -0.232 4.119 4.350 0.001 0.000 0.269 146 T C 1.630 176.345 174.700 0.025 0.000 1.052 146 T CA 1.302 63.413 62.100 0.018 0.000 1.136 146 T CB -0.004 68.876 68.868 0.020 0.000 0.864 146 T HN 0.402 nan 8.240 nan 0.000 0.467 147 K N 0.007 120.407 120.400 0.001 0.000 2.525 147 K HA 0.224 4.545 4.320 0.001 0.000 0.192 147 K C 0.410 177.018 176.600 0.014 0.000 1.029 147 K CA -0.315 55.977 56.287 0.007 0.000 1.029 147 K CB -0.178 32.317 32.500 -0.008 0.000 0.814 147 K HN 0.322 nan 8.250 nan 0.000 0.503 148 L N 0.492 121.716 121.223 0.003 0.000 2.455 148 L HA -0.051 4.290 4.340 0.001 0.000 0.272 148 L C 0.930 177.821 176.870 0.035 0.000 1.174 148 L CA 1.200 56.041 54.840 0.003 0.000 0.869 148 L CB 1.189 43.231 42.059 -0.028 0.000 1.130 148 L HN -0.128 nan 8.230 nan 0.000 0.474 149 T N 4.022 118.611 114.554 0.058 0.000 3.010 149 T HA 0.235 4.586 4.350 0.001 0.000 0.252 149 T C -0.377 174.379 174.700 0.093 0.000 0.963 149 T CA -0.127 62.021 62.100 0.081 0.000 0.952 149 T CB 0.024 68.955 68.868 0.106 0.000 1.182 149 T HN 0.379 nan 8.240 nan 0.000 0.495 150 F N 2.652 122.546 119.950 -0.094 0.000 2.467 150 F HA 0.706 5.233 4.527 0.001 0.000 0.336 150 F C -1.486 174.154 175.800 -0.268 0.000 1.123 150 F CA -1.291 56.584 58.000 -0.209 0.000 0.964 150 F CB 1.330 40.095 39.000 -0.392 0.000 1.136 150 F HN -0.066 nan 8.300 nan 0.000 0.447 151 L N 6.173 127.032 121.223 -0.607 0.000 2.381 151 L HA 0.794 5.134 4.340 0.001 0.000 0.274 151 L C -0.784 175.762 176.870 -0.539 0.000 0.988 151 L CA -0.425 54.200 54.840 -0.358 0.000 0.824 151 L CB 1.712 43.667 42.059 -0.174 0.000 1.263 151 L HN 0.686 nan 8.230 nan 0.000 0.410 152 G N 5.874 114.555 108.800 -0.197 0.000 2.544 152 G HA2 0.676 4.636 3.960 0.001 0.000 0.313 152 G HA3 0.676 4.636 3.960 0.001 0.000 0.313 152 G C -1.511 173.381 174.900 -0.013 0.000 1.316 152 G CA -0.390 44.655 45.100 -0.091 0.000 0.944 152 G HN 0.583 nan 8.290 nan 0.000 0.489 153 L N 1.276 122.458 121.223 -0.069 0.000 2.376 153 L HA 0.835 5.175 4.340 0.001 0.000 0.258 153 L C 0.039 176.871 176.870 -0.063 0.000 1.013 153 L CA -1.027 53.788 54.840 -0.040 0.000 0.822 153 L CB 2.745 44.771 42.059 -0.054 0.000 1.388 153 L HN 0.701 nan 8.230 nan 0.000 0.413 154 S N 0.527 116.237 115.700 0.018 0.000 2.556 154 S HA 0.988 5.459 4.470 0.001 0.000 0.271 154 S C -1.095 173.564 174.600 0.099 0.000 1.135 154 S CA -0.180 58.030 58.200 0.016 0.000 0.858 154 S CB 2.519 65.677 63.200 -0.071 0.000 1.114 154 S HN 1.142 nan 8.310 nan 0.000 0.468 155 A N 0.586 123.444 122.820 0.064 0.000 2.540 155 A HA 0.925 5.245 4.320 0.001 0.000 0.291 155 A C -0.011 177.480 177.584 -0.155 0.000 1.083 155 A CA -0.330 51.646 52.037 -0.103 0.000 0.650 155 A CB 0.370 19.142 19.000 -0.380 0.000 1.292 155 A HN 2.013 nan 8.150 nan 0.000 0.435 156 A N -0.416 122.264 122.820 -0.234 0.000 2.358 156 A HA 0.518 4.838 4.320 0.001 0.000 0.223 156 A C 0.509 177.981 177.584 -0.187 0.000 1.218 156 A CA 0.560 52.529 52.037 -0.113 0.000 0.942 156 A CB 0.178 19.149 19.000 -0.049 0.000 1.005 156 A HN 0.519 nan 8.150 nan 0.000 0.514 157 K N -0.627 119.482 120.400 -0.485 0.000 2.422 157 K HA 0.655 4.975 4.320 0.001 0.000 0.251 157 K C -1.923 174.235 176.600 -0.736 0.000 0.933 157 K CA -0.366 55.701 56.287 -0.366 0.000 0.798 157 K CB 2.083 34.472 32.500 -0.184 0.000 1.238 157 K HN 0.157 nan 8.250 nan 0.000 0.428 158 F N 1.233 121.237 119.950 0.091 0.000 2.547 158 F HA 0.495 5.022 4.527 0.001 0.000 0.316 158 F C -0.035 175.786 175.800 0.034 0.000 1.121 158 F CA -0.963 57.066 58.000 0.049 0.000 0.911 158 F CB 1.886 40.915 39.000 0.049 0.000 1.179 158 F HN 0.185 nan 8.300 nan 0.000 0.443 159 R N 0.821 121.418 120.500 0.161 0.000 2.778 159 R HA 0.308 4.649 4.340 0.001 0.000 0.277 159 R C 0.949 177.298 176.300 0.082 0.000 0.977 159 R CA -0.809 55.349 56.100 0.096 0.000 0.950 159 R CB 1.159 31.485 30.300 0.043 0.000 1.165 159 R HN 0.724 nan 8.270 nan 0.000 0.474 160 Q N 1.064 120.896 119.800 0.053 0.000 2.152 160 Q HA -0.140 4.201 4.340 0.001 0.000 0.206 160 Q C 0.584 176.595 176.000 0.018 0.000 0.985 160 Q CA 1.666 57.488 55.803 0.031 0.000 0.863 160 Q CB 0.114 28.862 28.738 0.017 0.000 0.904 160 Q HN 0.530 nan 8.270 nan 0.000 0.422 161 L N 0.443 121.674 121.223 0.014 0.000 2.628 161 L HA 0.021 4.361 4.340 0.001 0.000 0.229 161 L C 0.902 177.766 176.870 -0.011 0.000 1.137 161 L CA -0.277 54.563 54.840 -0.001 0.000 0.909 161 L CB 0.081 42.138 42.059 -0.003 0.000 1.137 161 L HN 0.104 nan 8.230 nan 0.000 0.470 162 D N 0.850 121.251 120.400 0.001 0.000 2.149 162 D HA -0.128 4.512 4.640 0.001 0.000 0.198 162 D C 1.689 177.954 176.300 -0.059 0.000 0.990 162 D CA 1.372 55.358 54.000 -0.023 0.000 0.839 162 D CB 0.161 40.971 40.800 0.017 0.000 0.948 162 D HN 0.294 nan 8.370 nan 0.000 0.460 163 L N 0.829 122.027 121.223 -0.042 0.000 2.783 163 L HA 0.176 4.516 4.340 0.001 0.000 0.236 163 L C 1.849 178.692 176.870 -0.044 0.000 1.225 163 L CA -0.239 54.565 54.840 -0.060 0.000 1.026 163 L CB 0.274 42.302 42.059 -0.052 0.000 1.314 163 L HN 0.031 nan 8.230 nan 0.000 0.489 164 L N 0.995 122.197 121.223 -0.035 0.000 2.056 164 L HA -0.081 4.260 4.340 0.001 0.000 0.207 164 L C -0.175 176.710 176.870 0.025 0.000 1.078 164 L CA 1.569 56.407 54.840 -0.004 0.000 0.749 164 L CB -0.836 41.223 42.059 0.000 0.000 0.901 164 L HN 0.296 nan 8.230 nan 0.000 0.433 165 P HA -0.135 nan 4.420 nan 0.000 0.219 165 P C 1.214 178.559 177.300 0.075 0.000 1.146 165 P CA 1.177 64.296 63.100 0.032 0.000 0.808 165 P CB -0.062 31.634 31.700 -0.006 0.000 0.779 166 V N -4.976 114.969 119.914 0.052 0.000 3.342 166 V HA 0.493 4.614 4.120 0.001 0.000 0.322 166 V C 1.596 177.701 176.094 0.018 0.000 1.370 166 V CA 0.484 62.820 62.300 0.059 0.000 1.170 166 V CB -0.939 30.923 31.823 0.066 0.000 1.101 166 V HN -0.059 nan 8.190 nan 0.000 0.442 167 A N -0.395 122.440 122.820 0.025 0.000 2.209 167 A HA 0.042 4.362 4.320 0.001 0.000 0.212 167 A C 1.589 179.035 177.584 -0.230 0.000 1.158 167 A CA 1.004 52.987 52.037 -0.090 0.000 0.742 167 A CB -0.752 18.188 19.000 -0.101 0.000 0.790 167 A HN 0.783 nan 8.150 nan 0.000 0.472 168 H N -0.948 118.077 119.070 -0.075 0.000 2.512 168 H HA 0.376 4.933 4.556 0.001 0.000 0.276 168 H C -0.687 174.560 175.328 -0.135 0.000 1.126 168 H CA -0.201 55.784 56.048 -0.105 0.000 1.060 168 H CB 0.141 29.869 29.762 -0.055 0.000 1.646 168 H HN 0.309 nan 8.280 nan 0.000 0.571 169 L N 0.265 121.453 121.223 -0.059 0.000 2.334 169 L HA 0.294 4.634 4.340 0.001 0.000 0.272 169 L C 0.120 176.891 176.870 -0.165 0.000 1.020 169 L CA -1.025 53.786 54.840 -0.047 0.000 0.812 169 L CB 1.432 43.498 42.059 0.012 0.000 1.264 169 L HN 0.133 nan 8.230 nan 0.000 0.439 170 H N 1.972 121.049 119.070 0.011 0.000 2.680 170 H HA 0.339 4.896 4.556 0.001 0.000 0.224 170 H C -0.352 174.976 175.328 0.001 0.000 1.866 170 H CA -0.223 55.827 56.048 0.003 0.000 1.302 170 H CB -0.353 29.413 29.762 0.007 0.000 1.709 170 H HN 0.267 nan 8.280 nan 0.000 0.537 171 L N 0.218 121.457 121.223 0.028 0.000 2.461 171 L HA 0.017 4.357 4.340 0.001 0.000 0.272 171 L C 1.062 177.946 176.870 0.023 0.000 1.197 171 L CA 0.193 55.039 54.840 0.009 0.000 0.836 171 L CB 0.974 43.008 42.059 -0.043 0.000 1.105 171 L HN 0.475 nan 8.230 nan 0.000 0.477 172 S N -0.378 115.338 115.700 0.027 0.000 2.599 172 S HA 0.093 4.564 4.470 0.001 0.000 0.236 172 S C -0.182 174.433 174.600 0.024 0.000 1.077 172 S CA -0.184 58.043 58.200 0.046 0.000 0.906 172 S CB 0.551 63.803 63.200 0.086 0.000 0.804 172 S HN 0.705 nan 8.310 nan 0.000 0.497 173 C N 2.217 121.494 119.300 -0.038 0.000 2.482 173 C HA 0.649 5.109 4.460 0.001 0.000 0.317 173 C C -1.269 173.487 174.990 -0.389 0.000 1.197 173 C CA -0.958 57.968 59.018 -0.154 0.000 1.432 173 C CB -0.008 27.690 27.740 -0.070 0.000 2.062 173 C HN 0.449 nan 8.230 nan 0.000 0.471 174 I N 6.510 126.910 120.570 -0.284 0.000 2.359 174 I HA 0.302 4.472 4.170 0.001 0.000 0.284 174 I C -0.469 175.482 176.117 -0.276 0.000 1.018 174 I CA -0.392 60.721 61.300 -0.312 0.000 1.173 174 I CB 1.259 39.150 38.000 -0.182 0.000 1.326 174 I HN 0.459 nan 8.210 nan 0.000 0.462 175 L N 8.548 129.533 121.223 -0.396 0.000 2.275 175 L HA 0.592 4.933 4.340 0.001 0.000 0.288 175 L C -1.199 175.536 176.870 -0.224 0.000 1.046 175 L CA -0.243 54.450 54.840 -0.244 0.000 0.805 175 L CB 1.328 43.288 42.059 -0.165 0.000 1.193 175 L HN 0.486 nan 8.230 nan 0.000 0.426 176 L N 5.982 127.067 121.223 -0.231 0.000 2.438 176 L HA 0.575 4.916 4.340 0.001 0.000 0.270 176 L C -1.502 175.163 176.870 -0.342 0.000 0.972 176 L CA -0.295 54.402 54.840 -0.237 0.000 0.831 176 L CB 1.842 43.789 42.059 -0.187 0.000 1.273 176 L HN 0.817 nan 8.230 nan 0.000 0.405 177 D N 5.349 125.512 120.400 -0.395 0.000 2.498 177 D HA 0.260 4.900 4.640 0.001 0.000 0.247 177 D C -0.734 175.426 176.300 -0.233 0.000 1.070 177 D CA -0.544 53.158 54.000 -0.497 0.000 0.842 177 D CB 2.059 42.220 40.800 -1.065 0.000 1.361 177 D HN 0.572 nan 8.370 nan 0.000 0.484 178 L N 3.195 124.318 121.223 -0.168 0.000 3.094 178 L HA 0.104 4.445 4.340 0.001 0.000 0.254 178 L C 1.583 178.525 176.870 0.121 0.000 1.298 178 L CA -0.237 54.632 54.840 0.048 0.000 1.050 178 L CB 0.732 42.792 42.059 0.001 0.000 1.420 178 L HN 0.364 nan 8.230 nan 0.000 0.548 179 V N -0.664 119.285 119.914 0.059 0.000 2.358 179 V HA -0.179 3.942 4.120 0.001 0.000 0.246 179 V C 2.285 178.466 176.094 0.146 0.000 1.047 179 V CA 1.568 63.968 62.300 0.167 0.000 1.035 179 V CB -0.156 31.756 31.823 0.148 0.000 0.658 179 V HN 0.472 nan 8.190 nan 0.000 0.452 180 S N -1.614 114.126 115.700 0.066 0.000 2.603 180 S HA -0.009 4.462 4.470 0.001 0.000 0.229 180 S C 0.464 174.967 174.600 -0.162 0.000 0.972 180 S CA 0.156 58.355 58.200 -0.002 0.000 0.935 180 S CB -0.432 62.783 63.200 0.025 0.000 0.769 180 S HN 0.668 nan 8.310 nan 0.000 0.536 181 Y N 3.275 123.424 120.300 -0.251 0.000 2.327 181 Y HA 0.326 4.876 4.550 0.001 0.000 0.336 181 Y C 0.170 175.794 175.900 -0.460 0.000 1.035 181 Y CA -0.672 57.289 58.100 -0.232 0.000 1.165 181 Y CB 0.347 38.825 38.460 0.029 0.000 1.181 181 Y HN 0.166 nan 8.280 nan 0.000 0.494 182 H N 5.957 124.626 119.070 -0.669 0.000 2.731 182 H HA 0.349 4.905 4.556 0.001 0.000 0.368 182 H C -0.302 174.462 175.328 -0.940 0.000 1.168 182 H CA -0.921 54.766 56.048 -0.601 0.000 1.181 182 H CB 1.811 31.392 29.762 -0.302 0.000 1.743 182 H HN 0.585 nan 8.280 nan 0.000 0.547 183 I N 1.749 122.079 120.570 -0.401 0.000 2.836 183 I HA -0.033 4.138 4.170 0.001 0.000 0.285 183 I C 0.842 176.861 176.117 -0.165 0.000 1.174 183 I CA 0.332 61.484 61.300 -0.247 0.000 1.405 183 I CB 0.531 38.486 38.000 -0.074 0.000 1.385 183 I HN 0.429 nan 8.210 nan 0.000 0.594 184 K N 3.112 123.456 120.400 -0.094 0.000 1.841 184 K HA 0.380 4.701 4.320 0.001 0.000 0.259 184 K C 0.732 177.318 176.600 -0.023 0.000 0.999 184 K CA -0.381 55.872 56.287 -0.057 0.000 1.053 184 K CB -0.185 32.285 32.500 -0.049 0.000 2.249 184 K HN 0.605 nan 8.250 nan 0.000 0.894 185 G N 0.442 109.235 108.800 -0.013 0.000 3.337 185 G HA2 0.223 4.184 3.960 0.001 0.000 0.226 185 G HA3 0.223 4.184 3.960 0.001 0.000 0.226 185 G C 0.895 175.799 174.900 0.006 0.000 1.295 185 G CA 0.929 46.025 45.100 -0.005 0.000 1.427 185 G HN 0.698 nan 8.290 nan 0.000 0.535 186 G N 0.343 109.151 108.800 0.013 0.000 2.382 186 G HA2 -0.340 3.621 3.960 0.001 0.000 0.259 186 G HA3 -0.340 3.621 3.960 0.001 0.000 0.259 186 G C 0.578 175.498 174.900 0.033 0.000 1.009 186 G CA 0.497 45.611 45.100 0.023 0.000 0.625 186 G HN 0.629 nan 8.290 nan 0.000 0.541 187 E N 2.217 122.435 120.200 0.030 0.000 2.127 187 E HA 0.319 4.670 4.350 0.001 0.000 0.295 187 E C 0.516 177.146 176.600 0.052 0.000 1.155 187 E CA 0.177 56.598 56.400 0.034 0.000 1.201 187 E CB -0.368 29.348 29.700 0.026 0.000 1.083 187 E HN 0.254 nan 8.360 nan 0.000 0.472 188 T N 2.770 117.360 114.554 0.059 0.000 2.723 188 T HA -0.158 4.193 4.350 0.001 0.000 0.260 188 T C 0.275 175.032 174.700 0.094 0.000 1.019 188 T CA 0.716 62.866 62.100 0.082 0.000 1.155 188 T CB 0.046 68.957 68.868 0.072 0.000 1.024 188 T HN 0.336 nan 8.240 nan 0.000 0.491 189 E N 2.591 122.874 120.200 0.138 0.000 2.366 189 E HA 0.358 4.709 4.350 0.001 0.000 0.266 189 E C -0.014 176.664 176.600 0.130 0.000 1.051 189 E CA -0.470 56.027 56.400 0.161 0.000 0.884 189 E CB 0.759 30.620 29.700 0.267 0.000 1.006 189 E HN 0.454 nan 8.360 nan 0.000 0.417 190 S N 1.342 117.107 115.700 0.109 0.000 2.726 190 S HA 0.715 5.185 4.470 0.001 0.000 0.308 190 S C -1.029 173.612 174.600 0.069 0.000 1.115 190 S CA -0.807 57.431 58.200 0.063 0.000 0.965 190 S CB 1.330 64.552 63.200 0.037 0.000 1.145 190 S HN 0.364 nan 8.310 nan 0.000 0.532 191 L N 2.142 123.370 121.223 0.009 0.000 2.795 191 L HA 0.383 4.723 4.340 0.001 0.000 0.260 191 L C -1.370 175.472 176.870 -0.048 0.000 0.935 191 L CA -0.178 54.659 54.840 -0.006 0.000 0.985 191 L CB 1.882 43.908 42.059 -0.055 0.000 1.433 191 L HN 0.704 nan 8.230 nan 0.000 0.447 192 Q N 3.877 123.656 119.800 -0.034 0.000 2.294 192 Q HA 0.599 4.939 4.340 0.001 0.000 0.257 192 Q C -1.087 174.876 176.000 -0.062 0.000 0.955 192 Q CA 0.116 55.889 55.803 -0.049 0.000 0.936 192 Q CB 0.902 29.617 28.738 -0.038 0.000 1.188 192 Q HN 0.618 nan 8.270 nan 0.000 0.420 193 I N 8.391 128.914 120.570 -0.078 0.000 2.325 193 I HA 0.294 4.465 4.170 0.001 0.000 0.291 193 I C -2.015 174.054 176.117 -0.080 0.000 1.019 193 I CA -2.116 59.134 61.300 -0.083 0.000 1.302 193 I CB 1.119 39.064 38.000 -0.092 0.000 1.401 193 I HN 0.665 nan 8.210 nan 0.000 0.485 194 P HA 0.025 nan 4.420 nan 0.000 0.269 194 P C -1.049 176.195 177.300 -0.094 0.000 1.217 194 P CA -0.244 62.799 63.100 -0.094 0.000 0.783 194 P CB 0.250 31.897 31.700 -0.088 0.000 0.898 195 N N 0.353 118.987 118.700 -0.109 0.000 2.411 195 N HA 0.141 4.882 4.740 0.001 0.000 0.265 195 N C -0.354 175.112 175.510 -0.074 0.000 1.266 195 N CA 0.604 53.600 53.050 -0.089 0.000 0.889 195 N CB -0.542 37.883 38.487 -0.103 0.000 1.069 195 N HN 0.289 nan 8.380 nan 0.000 0.476 196 T N 0.015 114.538 114.554 -0.050 0.000 2.900 196 T HA 0.310 4.661 4.350 0.001 0.000 0.295 196 T C 1.182 175.878 174.700 -0.007 0.000 1.044 196 T CA -0.777 61.302 62.100 -0.035 0.000 0.995 196 T CB 1.816 70.654 68.868 -0.049 0.000 1.072 196 T HN 0.331 nan 8.240 nan 0.000 0.473 197 T N 1.237 115.799 114.554 0.013 0.000 2.643 197 T HA 0.009 4.359 4.350 0.001 0.000 0.264 197 T C 0.866 175.599 174.700 0.054 0.000 1.045 197 T CA 1.117 63.237 62.100 0.034 0.000 1.155 197 T CB 0.047 68.940 68.868 0.042 0.000 0.863 197 T HN 0.408 nan 8.240 nan 0.000 0.420 198 V N 1.881 121.825 119.914 0.050 0.000 2.555 198 V HA 0.584 4.705 4.120 0.001 0.000 0.302 198 V C -0.890 175.209 176.094 0.009 0.000 1.038 198 V CA -1.029 61.312 62.300 0.068 0.000 0.887 198 V CB 1.873 33.766 31.823 0.118 0.000 0.991 198 V HN 0.211 nan 8.190 nan 0.000 0.434 199 L N 4.699 125.916 121.223 -0.009 0.000 2.319 199 L HA 0.604 4.944 4.340 0.001 0.000 0.281 199 L C -0.809 176.068 176.870 0.012 0.000 1.005 199 L CA -0.169 54.658 54.840 -0.021 0.000 0.828 199 L CB 1.104 43.142 42.059 -0.034 0.000 1.227 199 L HN 0.731 nan 8.230 nan 0.000 0.415 200 H N 5.930 124.950 119.070 -0.083 0.000 2.511 200 H HA 0.572 5.128 4.556 0.001 0.000 0.328 200 H C -1.564 173.702 175.328 -0.103 0.000 1.044 200 H CA -0.652 55.359 56.048 -0.062 0.000 1.212 200 H CB 1.055 30.812 29.762 -0.008 0.000 1.428 200 H HN 0.652 nan 8.280 nan 0.000 0.483 201 L N 5.663 127.044 121.223 0.264 0.000 2.333 201 L HA 0.461 4.801 4.340 0.001 0.000 0.280 201 L C -0.539 176.129 176.870 -0.337 0.000 1.004 201 L CA -1.070 53.674 54.840 -0.160 0.000 0.820 201 L CB 1.947 43.893 42.059 -0.187 0.000 1.247 201 L HN 0.266 nan 8.230 nan 0.000 0.416 202 V N 2.847 122.452 119.914 -0.514 0.000 2.495 202 V HA 0.512 4.633 4.120 0.001 0.000 0.298 202 V C -0.315 175.478 176.094 -0.502 0.000 1.031 202 V CA -0.495 61.603 62.300 -0.338 0.000 0.871 202 V CB 1.531 33.345 31.823 -0.014 0.000 0.988 202 V HN 0.408 nan 8.190 nan 0.000 0.432 203 F N 0.845 120.876 119.950 0.135 0.000 2.572 203 F HA 0.519 5.047 4.527 0.001 0.000 0.342 203 F C 0.569 176.466 175.800 0.161 0.000 1.064 203 F CA -1.028 57.039 58.000 0.112 0.000 1.008 203 F CB 0.712 39.794 39.000 0.135 0.000 1.303 203 F HN 0.529 nan 8.300 nan 0.000 0.492 204 H N 2.260 121.498 119.070 0.280 0.000 3.034 204 H HA 0.095 4.651 4.556 0.001 0.000 0.324 204 H C -1.945 173.504 175.328 0.201 0.000 1.015 204 H CA -1.041 55.122 56.048 0.192 0.000 1.429 204 H CB 0.869 30.711 29.762 0.133 0.000 1.429 204 H HN 0.120 nan 8.280 nan 0.000 0.585 205 P HA 0.104 nan 4.420 nan 0.000 0.262 205 P C -0.454 176.887 177.300 0.068 0.000 1.304 205 P CA 0.395 63.516 63.100 0.035 0.000 0.859 205 P CB 0.509 32.188 31.700 -0.034 0.000 1.310 206 N N -0.020 118.783 118.700 0.172 0.000 2.628 206 N HA 0.161 4.902 4.740 0.001 0.000 0.299 206 N C -0.840 174.860 175.510 0.317 0.000 1.834 206 N CA 0.207 53.394 53.050 0.228 0.000 0.871 206 N CB 0.904 39.499 38.487 0.180 0.000 1.377 206 N HN 0.069 nan 8.380 nan 0.000 0.493 207 S N -1.571 114.292 115.700 0.271 0.000 2.627 207 S HA 0.395 4.865 4.470 0.001 0.000 0.268 207 S C -0.769 173.909 174.600 0.131 0.000 1.130 207 S CA -0.866 57.435 58.200 0.168 0.000 0.819 207 S CB 1.321 64.585 63.200 0.106 0.000 1.100 207 S HN 0.050 nan 8.310 nan 0.000 0.465 208 L N 1.698 122.970 121.223 0.081 0.000 2.485 208 L HA 0.300 4.640 4.340 0.001 0.000 0.275 208 L C 0.242 177.151 176.870 0.065 0.000 1.207 208 L CA -0.418 54.466 54.840 0.075 0.000 0.855 208 L CB 0.012 42.098 42.059 0.046 0.000 1.114 208 L HN 0.741 nan 8.230 nan 0.000 0.485 209 F N 3.248 123.145 119.950 -0.090 0.000 2.571 209 F HA 0.077 4.605 4.527 0.001 0.000 0.384 209 F C 0.737 176.424 175.800 -0.188 0.000 1.058 209 F CA 0.086 57.960 58.000 -0.210 0.000 1.200 209 F CB 0.544 39.343 39.000 -0.335 0.000 1.077 209 F HN 0.457 nan 8.300 nan 0.000 0.558 210 S N 5.395 120.611 115.700 -0.807 0.000 2.526 210 S HA 0.392 4.863 4.470 0.001 0.000 0.220 210 S C -1.123 173.157 174.600 -0.534 0.000 1.159 210 S CA -0.702 57.193 58.200 -0.508 0.000 1.196 210 S CB -0.356 62.742 63.200 -0.171 0.000 1.225 210 S HN 0.372 nan 8.310 nan 0.000 0.432 211 V N 2.177 121.385 119.914 -1.176 0.000 2.407 211 V HA 0.412 4.532 4.120 0.001 0.000 0.278 211 V C 0.639 176.584 176.094 -0.248 0.000 1.037 211 V CA -0.223 61.632 62.300 -0.742 0.000 0.900 211 V CB 1.366 32.511 31.823 -1.130 0.000 0.983 211 V HN 0.695 nan 8.190 nan 0.000 0.459 212 Q N 2.364 122.182 119.800 0.031 0.000 2.194 212 Q HA 0.235 4.576 4.340 0.001 0.000 0.214 212 Q C 0.039 176.145 176.000 0.177 0.000 0.838 212 Q CA -0.157 55.727 55.803 0.135 0.000 0.972 212 Q CB 1.525 30.345 28.738 0.136 0.000 1.131 212 Q HN 0.652 nan 8.270 nan 0.000 0.498 213 V N 2.718 122.733 119.914 0.168 0.000 2.540 213 V HA -0.058 4.062 4.120 0.001 0.000 0.297 213 V C 0.366 176.535 176.094 0.124 0.000 1.024 213 V CA 0.034 62.424 62.300 0.150 0.000 1.105 213 V CB 0.451 32.303 31.823 0.048 0.000 0.938 213 V HN 0.265 nan 8.190 nan 0.000 0.482 214 N N 6.211 124.945 118.700 0.056 0.000 2.402 214 N HA 0.215 4.955 4.740 0.001 0.000 0.252 214 N C -0.527 174.936 175.510 -0.079 0.000 1.118 214 N CA 0.158 53.200 53.050 -0.014 0.000 0.945 214 N CB 0.297 38.788 38.487 0.006 0.000 1.147 214 N HN 0.577 nan 8.380 nan 0.000 0.495 215 M N 2.144 121.630 119.600 -0.190 0.000 2.047 215 M HA 0.219 4.699 4.480 0.001 0.000 0.342 215 M C -0.156 176.037 176.300 -0.177 0.000 1.058 215 M CA -0.486 54.688 55.300 -0.211 0.000 0.991 215 M CB 0.955 33.361 32.600 -0.324 0.000 1.474 215 M HN 0.274 nan 8.290 nan 0.000 0.419 216 S N 2.267 117.899 115.700 -0.115 0.000 2.586 216 S HA 0.707 5.177 4.470 0.001 0.000 0.274 216 S C -0.178 174.370 174.600 -0.088 0.000 1.281 216 S CA -0.709 57.436 58.200 -0.090 0.000 1.035 216 S CB 1.669 64.831 63.200 -0.063 0.000 0.962 216 S HN 0.525 nan 8.310 nan 0.000 0.512 217 V N 2.613 122.482 119.914 -0.074 0.000 2.971 217 V HA 0.358 4.478 4.120 0.001 0.000 0.309 217 V C 0.285 176.348 176.094 -0.051 0.000 1.130 217 V CA -0.910 61.351 62.300 -0.064 0.000 0.964 217 V CB 2.133 33.920 31.823 -0.060 0.000 1.029 217 V HN 0.968 nan 8.190 nan 0.000 0.427 218 N N 2.300 120.969 118.700 -0.052 0.000 2.349 218 N HA 0.192 4.932 4.740 0.001 0.000 0.202 218 N C 0.551 176.041 175.510 -0.034 0.000 1.041 218 N CA 0.473 53.497 53.050 -0.044 0.000 0.970 218 N CB 0.327 38.782 38.487 -0.054 0.000 1.173 218 N HN 0.667 nan 8.380 nan 0.000 0.493 219 A N 1.254 124.051 122.820 -0.038 0.000 2.249 219 A HA 0.583 4.904 4.320 0.001 0.000 0.314 219 A C -1.044 176.529 177.584 -0.018 0.000 1.290 219 A CA -0.226 51.796 52.037 -0.024 0.000 0.893 219 A CB 0.336 19.320 19.000 -0.027 0.000 1.165 219 A HN 0.313 nan 8.150 nan 0.000 0.530 220 L N 2.850 124.072 121.223 -0.002 0.000 2.464 220 L HA 0.694 5.035 4.340 0.001 0.000 0.266 220 L C 0.788 177.679 176.870 0.035 0.000 0.965 220 L CA 0.353 55.200 54.840 0.011 0.000 0.833 220 L CB 2.072 44.135 42.059 0.006 0.000 1.296 220 L HN 0.649 nan 8.230 nan 0.000 0.405 221 G N 1.667 110.499 108.800 0.053 0.000 2.576 221 G HA2 0.055 4.016 3.960 0.001 0.000 0.210 221 G HA3 0.055 4.016 3.960 0.001 0.000 0.210 221 G C -0.476 174.510 174.900 0.144 0.000 1.143 221 G CA 0.358 45.501 45.100 0.072 0.000 0.819 221 G HN 0.631 nan 8.290 nan 0.000 0.534 222 H N -1.046 118.028 119.070 0.006 0.000 3.096 222 H HA 0.548 5.104 4.556 0.001 0.000 0.335 222 H C -1.597 173.741 175.328 0.017 0.000 0.990 222 H CA -1.187 54.866 56.048 0.009 0.000 1.393 222 H CB 1.364 31.125 29.762 -0.002 0.000 1.742 222 H HN 0.117 nan 8.280 nan 0.000 0.501 223 L N 3.829 124.947 121.223 -0.175 0.000 2.307 223 L HA 0.539 4.879 4.340 0.001 0.000 0.282 223 L C -0.814 175.823 176.870 -0.389 0.000 1.051 223 L CA -0.014 54.720 54.840 -0.177 0.000 0.804 223 L CB 1.335 43.386 42.059 -0.013 0.000 1.197 223 L HN 0.769 nan 8.230 nan 0.000 0.431 224 Q N 5.144 124.776 119.800 -0.279 0.000 2.263 224 Q HA 0.505 4.846 4.340 0.001 0.000 0.266 224 Q C -2.095 173.851 176.000 -0.090 0.000 1.002 224 Q CA -0.575 55.039 55.803 -0.314 0.000 0.790 224 Q CB 1.618 30.008 28.738 -0.580 0.000 1.272 224 Q HN 0.741 nan 8.270 nan 0.000 0.435 225 L N 1.639 122.891 121.223 0.049 0.000 2.346 225 L HA 0.694 5.034 4.340 0.001 0.000 0.276 225 L C -0.445 176.585 176.870 0.267 0.000 1.006 225 L CA -0.842 54.147 54.840 0.247 0.000 0.817 225 L CB 2.083 44.370 42.059 0.380 0.000 1.272 225 L HN 0.498 nan 8.230 nan 0.000 0.421 226 S N 1.640 117.565 115.700 0.375 0.000 2.521 226 S HA 0.498 4.968 4.470 0.001 0.000 0.295 226 S C -0.756 174.140 174.600 0.493 0.000 1.098 226 S CA -0.672 57.785 58.200 0.429 0.000 0.999 226 S CB 1.514 65.023 63.200 0.516 0.000 1.034 226 S HN 0.733 nan 8.310 nan 0.000 0.483 227 N N 1.263 120.247 118.700 0.474 0.000 2.681 227 N HA -0.124 4.617 4.740 0.001 0.000 0.265 227 N C -1.416 174.314 175.510 0.366 0.000 1.157 227 N CA 0.503 53.790 53.050 0.394 0.000 0.674 227 N CB -1.383 37.316 38.487 0.353 0.000 0.887 227 N HN 0.651 nan 8.380 nan 0.000 0.557 228 I N 0.053 120.771 120.570 0.246 0.000 2.390 228 I HA 0.237 4.407 4.170 0.001 0.000 0.283 228 I C 0.460 176.624 176.117 0.079 0.000 1.016 228 I CA -0.543 60.813 61.300 0.094 0.000 1.151 228 I CB 1.648 39.632 38.000 -0.027 0.000 1.293 228 I HN 0.049 nan 8.210 nan 0.000 0.458 229 K N 8.261 128.717 120.400 0.094 0.000 2.339 229 K HA 0.701 5.022 4.320 0.001 0.000 0.264 229 K C -1.604 175.027 176.600 0.052 0.000 0.986 229 K CA -0.472 55.864 56.287 0.082 0.000 0.866 229 K CB 1.046 33.612 32.500 0.109 0.000 1.103 229 K HN 0.588 nan 8.250 nan 0.000 0.441 230 L N 3.866 125.098 121.223 0.016 0.000 2.386 230 L HA 0.469 4.810 4.340 0.001 0.000 0.271 230 L C -0.330 176.540 176.870 -0.001 0.000 0.993 230 L CA -1.058 53.777 54.840 -0.008 0.000 0.819 230 L CB 1.944 43.961 42.059 -0.070 0.000 1.294 230 L HN 0.742 nan 8.230 nan 0.000 0.414 231 N N -0.606 118.095 118.700 0.002 0.000 2.867 231 N HA 0.317 5.058 4.740 0.001 0.000 0.326 231 N C -0.021 175.478 175.510 -0.018 0.000 1.355 231 N CA -0.753 52.296 53.050 -0.001 0.000 0.830 231 N CB 0.398 38.891 38.487 0.010 0.000 1.152 231 N HN 0.403 nan 8.380 nan 0.000 0.569 232 D N -0.522 119.869 120.400 -0.014 0.000 2.249 232 D HA -0.056 4.584 4.640 0.001 0.000 0.205 232 D C 0.823 177.110 176.300 -0.021 0.000 0.962 232 D CA 0.802 54.787 54.000 -0.025 0.000 0.860 232 D CB -0.054 40.735 40.800 -0.018 0.000 0.955 232 D HN 0.583 nan 8.370 nan 0.000 0.505 233 E N 0.915 121.109 120.200 -0.009 0.000 2.274 233 E HA -0.089 4.262 4.350 0.001 0.000 0.194 233 E C 1.158 177.757 176.600 -0.001 0.000 0.996 233 E CA 0.581 56.979 56.400 -0.004 0.000 0.840 233 E CB 0.061 29.763 29.700 0.003 0.000 0.772 233 E HN 0.296 nan 8.360 nan 0.000 0.491 234 N N -0.279 118.421 118.700 -0.000 0.000 2.160 234 N HA -0.026 4.714 4.740 0.001 0.000 0.226 234 N C 1.329 176.835 175.510 -0.007 0.000 1.256 234 N CA -0.214 52.846 53.050 0.015 0.000 0.890 234 N CB -0.669 37.845 38.487 0.044 0.000 1.116 234 N HN -0.020 nan 8.380 nan 0.000 0.517 235 c N 0.990 119.562 118.600 -0.047 0.000 2.393 235 c HA -0.149 4.422 4.570 0.001 0.000 0.276 235 c C 2.668 176.684 174.090 -0.124 0.000 1.215 235 c CA 1.924 58.191 56.329 -0.102 0.000 1.743 235 c CB -1.003 41.444 42.510 -0.104 0.000 2.044 235 c HN 0.615 nan 8.230 nan 0.000 0.464 236 Q N 0.493 120.245 119.800 -0.081 0.000 2.124 236 Q HA -0.169 4.172 4.340 0.001 0.000 0.202 236 Q C 2.250 178.219 176.000 -0.051 0.000 0.977 236 Q CA 1.886 57.642 55.803 -0.079 0.000 0.850 236 Q CB -0.496 28.218 28.738 -0.040 0.000 0.901 236 Q HN 0.658 nan 8.270 nan 0.000 0.429 237 R N -0.517 119.987 120.500 0.006 0.000 2.119 237 R HA -0.183 4.157 4.340 0.001 0.000 0.246 237 R C 2.020 178.411 176.300 0.153 0.000 1.146 237 R CA 1.676 57.831 56.100 0.093 0.000 0.962 237 R CB -0.687 29.693 30.300 0.133 0.000 0.863 237 R HN 0.430 nan 8.270 nan 0.000 0.442 238 L N -0.203 121.008 121.223 -0.020 0.000 2.056 238 L HA -0.038 4.302 4.340 0.001 0.000 0.207 238 L C 2.011 178.688 176.870 -0.322 0.000 1.078 238 L CA 1.780 56.418 54.840 -0.337 0.000 0.749 238 L CB -0.286 41.357 42.059 -0.694 0.000 0.901 238 L HN 0.287 nan 8.230 nan 0.000 0.433 239 M N -1.341 118.007 119.600 -0.420 0.000 2.159 239 M HA -0.187 4.293 4.480 0.001 0.000 0.263 239 M C 1.965 178.032 176.300 -0.389 0.000 1.063 239 M CA 2.093 56.941 55.300 -0.753 0.000 1.110 239 M CB -0.438 31.782 32.600 -0.632 0.000 1.374 239 M HN 0.279 nan 8.290 nan 0.000 0.411 240 T N 0.129 114.617 114.554 -0.109 0.000 2.737 240 T HA -0.152 4.199 4.350 0.001 0.000 0.265 240 T C 1.389 176.131 174.700 0.071 0.000 1.038 240 T CA 1.271 63.384 62.100 0.023 0.000 1.144 240 T CB -0.431 68.472 68.868 0.058 0.000 0.866 240 T HN 0.396 nan 8.240 nan 0.000 0.434 241 F N 1.366 121.304 119.950 -0.021 0.000 2.216 241 F HA 0.023 4.550 4.527 0.001 0.000 0.300 241 F C 1.780 177.591 175.800 0.018 0.000 1.085 241 F CA 1.047 59.069 58.000 0.036 0.000 1.326 241 F CB -0.304 38.792 39.000 0.161 0.000 1.027 241 F HN 0.053 nan 8.300 nan 0.000 0.497 242 L N -0.839 120.390 121.223 0.010 0.000 2.179 242 L HA -0.123 4.217 4.340 0.001 0.000 0.208 242 L C 2.739 179.678 176.870 0.115 0.000 1.096 242 L CA 1.034 55.875 54.840 0.001 0.000 0.779 242 L CB -0.788 41.217 42.059 -0.090 0.000 0.922 242 L HN 0.232 nan 8.230 nan 0.000 0.443 243 S N 0.225 116.034 115.700 0.181 0.000 2.380 243 S HA -0.297 4.174 4.470 0.001 0.000 0.229 243 S C 1.896 176.539 174.600 0.071 0.000 1.043 243 S CA 2.202 60.550 58.200 0.246 0.000 1.038 243 S CB -0.045 63.267 63.200 0.187 0.000 0.872 243 S HN 0.418 nan 8.310 nan 0.000 0.456 244 E N 0.187 120.373 120.200 -0.025 0.000 2.340 244 E HA 0.237 4.587 4.350 0.001 0.000 0.194 244 E C 1.774 178.324 176.600 -0.083 0.000 0.996 244 E CA 0.345 56.708 56.400 -0.061 0.000 0.869 244 E CB -0.182 29.464 29.700 -0.089 0.000 0.835 244 E HN 0.604 nan 8.360 nan 0.000 0.493 245 L N -0.481 120.671 121.223 -0.119 0.000 2.395 245 L HA 0.012 4.352 4.340 0.001 0.000 0.218 245 L C 1.676 178.544 176.870 -0.003 0.000 1.130 245 L CA 1.043 55.829 54.840 -0.091 0.000 0.826 245 L CB 0.088 42.067 42.059 -0.134 0.000 0.941 245 L HN 0.061 nan 8.230 nan 0.000 0.451 246 T N -1.689 112.886 114.554 0.036 0.000 2.990 246 T HA 0.128 4.479 4.350 0.001 0.000 0.250 246 T C 0.877 175.591 174.700 0.023 0.000 1.041 246 T CA -0.325 61.821 62.100 0.077 0.000 1.010 246 T CB 0.184 69.147 68.868 0.159 0.000 1.003 246 T HN 0.122 nan 8.240 nan 0.000 0.499 247 R N 1.516 122.015 120.500 -0.001 0.000 2.583 247 R HA 0.269 4.610 4.340 0.001 0.000 0.274 247 R C 0.504 176.797 176.300 -0.011 0.000 0.998 247 R CA 0.119 56.209 56.100 -0.017 0.000 1.081 247 R CB 0.275 30.562 30.300 -0.020 0.000 0.940 247 R HN 0.228 nan 8.270 nan 0.000 0.413 248 G N 4.448 113.240 108.800 -0.013 0.000 2.415 248 G HA2 0.361 4.322 3.960 0.001 0.000 0.317 248 G HA3 0.361 4.322 3.960 0.001 0.000 0.317 248 G C -1.856 173.038 174.900 -0.009 0.000 1.152 248 G CA -1.035 44.060 45.100 -0.007 0.000 0.956 248 G HN 0.442 nan 8.290 nan 0.000 0.458 249 P HA 0.063 nan 4.420 nan 0.000 0.219 249 P C 1.819 179.117 177.300 -0.003 0.000 1.231 249 P CA 0.623 63.719 63.100 -0.007 0.000 0.673 249 P CB -0.122 31.574 31.700 -0.007 0.000 0.768 250 T N -1.166 113.388 114.554 0.001 0.000 3.976 250 T HA 0.160 4.511 4.350 0.001 0.000 0.393 250 T C 0.674 175.380 174.700 0.009 0.000 1.208 250 T CA -0.420 61.682 62.100 0.003 0.000 0.970 250 T CB -0.599 68.272 68.868 0.005 0.000 1.759 250 T HN -0.087 nan 8.240 nan 0.000 0.527 251 L N 1.651 122.883 121.223 0.015 0.000 2.399 251 L HA 0.717 5.058 4.340 0.001 0.000 0.265 251 L C 0.230 177.125 176.870 0.042 0.000 1.089 251 L CA -0.640 54.215 54.840 0.025 0.000 0.802 251 L CB 0.761 42.838 42.059 0.029 0.000 1.180 251 L HN 0.897 nan 8.230 nan 0.000 0.454 252 L N -0.182 121.077 121.223 0.060 0.000 2.540 252 L HA 0.649 4.990 4.340 0.001 0.000 0.256 252 L C -0.961 175.982 176.870 0.121 0.000 1.001 252 L CA -0.909 53.982 54.840 0.086 0.000 0.843 252 L CB 2.397 44.505 42.059 0.081 0.000 1.436 252 L HN 0.337 nan 8.230 nan 0.000 0.410 253 N N 0.824 119.632 118.700 0.179 0.000 2.508 253 N HA 0.672 5.413 4.740 0.001 0.000 0.285 253 N C -1.038 174.645 175.510 0.287 0.000 1.144 253 N CA -0.371 52.828 53.050 0.249 0.000 0.978 253 N CB 2.399 41.003 38.487 0.195 0.000 1.180 253 N HN 0.495 nan 8.380 nan 0.000 0.484 254 V N 0.798 120.811 119.914 0.164 0.000 2.656 254 V HA 0.477 4.597 4.120 0.001 0.000 0.307 254 V C -0.329 175.808 176.094 0.070 0.000 1.051 254 V CA -0.517 61.809 62.300 0.044 0.000 0.893 254 V CB 2.065 33.853 31.823 -0.058 0.000 0.999 254 V HN 0.638 nan 8.190 nan 0.000 0.426 255 T N 5.936 120.496 114.554 0.011 0.000 2.840 255 T HA 0.566 4.916 4.350 0.001 0.000 0.287 255 T C -0.937 173.800 174.700 0.062 0.000 0.991 255 T CA -0.383 61.771 62.100 0.091 0.000 0.964 255 T CB 1.154 70.124 68.868 0.170 0.000 0.954 255 T HN 0.190 nan 8.240 nan 0.000 0.438 256 L N 3.621 124.906 121.223 0.103 0.000 2.272 256 L HA 0.501 4.841 4.340 0.001 0.000 0.289 256 L C 0.228 177.168 176.870 0.116 0.000 1.032 256 L CA -0.051 54.855 54.840 0.110 0.000 0.810 256 L CB 1.308 43.431 42.059 0.107 0.000 1.205 256 L HN 0.596 nan 8.230 nan 0.000 0.422 257 Q N 2.082 121.927 119.800 0.074 0.000 2.333 257 Q HA 0.392 4.733 4.340 0.001 0.000 0.267 257 Q C -0.751 175.195 176.000 -0.091 0.000 1.012 257 Q CA -0.725 55.009 55.803 -0.115 0.000 0.824 257 Q CB 1.137 29.721 28.738 -0.256 0.000 1.290 257 Q HN 0.694 nan 8.270 nan 0.000 0.449 258 H N 0.387 119.579 119.070 0.203 0.000 2.826 258 H HA -0.188 4.369 4.556 0.001 0.000 0.306 258 H C -0.978 174.436 175.328 0.143 0.000 1.235 258 H CA 0.133 56.285 56.048 0.172 0.000 1.150 258 H CB -1.872 27.992 29.762 0.169 0.000 1.409 258 H HN 0.371 nan 8.280 nan 0.000 0.420 259 I N 1.085 121.762 120.570 0.177 0.000 2.337 259 I HA 0.092 4.263 4.170 0.001 0.000 0.291 259 I C 0.720 176.902 176.117 0.108 0.000 1.046 259 I CA 0.170 61.542 61.300 0.120 0.000 1.324 259 I CB 0.848 38.893 38.000 0.075 0.000 1.409 259 I HN 0.339 nan 8.210 nan 0.000 0.494 260 E N 5.879 126.137 120.200 0.096 0.000 2.134 260 E HA 0.564 4.915 4.350 0.001 0.000 0.278 260 E C -0.816 175.814 176.600 0.050 0.000 0.959 260 E CA -0.409 56.038 56.400 0.078 0.000 0.783 260 E CB 1.278 31.027 29.700 0.081 0.000 1.095 260 E HN 0.683 nan 8.360 nan 0.000 0.399 261 T N 2.043 116.625 114.554 0.047 0.000 2.889 261 T HA 0.267 4.618 4.350 0.001 0.000 0.315 261 T C -0.322 174.403 174.700 0.042 0.000 1.291 261 T CA -0.499 61.613 62.100 0.021 0.000 1.028 261 T CB 1.613 70.470 68.868 -0.018 0.000 1.235 261 T HN 0.366 nan 8.240 nan 0.000 0.491 262 T N 2.932 117.498 114.554 0.020 0.000 2.791 262 T HA 0.059 4.409 4.350 0.001 0.000 0.323 262 T C 0.977 175.735 174.700 0.096 0.000 1.082 262 T CA -0.066 62.061 62.100 0.044 0.000 1.084 262 T CB 0.322 69.194 68.868 0.007 0.000 0.992 262 T HN 0.666 nan 8.240 nan 0.000 0.547 263 W N 2.007 123.258 121.300 -0.082 0.000 2.407 263 W HA -0.102 4.559 4.660 0.001 0.000 0.305 263 W C 2.285 178.758 176.519 -0.077 0.000 1.196 263 W CA 0.977 58.269 57.345 -0.089 0.000 1.311 263 W CB -0.132 29.247 29.460 -0.134 0.000 1.135 263 W HN 0.717 nan 8.180 nan 0.000 0.514 264 K N 0.287 120.619 120.400 -0.113 0.000 2.059 264 K HA -0.322 3.998 4.320 0.001 0.000 0.212 264 K C 2.174 178.616 176.600 -0.264 0.000 1.050 264 K CA 2.211 58.381 56.287 -0.196 0.000 0.927 264 K CB -0.827 31.631 32.500 -0.070 0.000 0.714 264 K HN 0.185 nan 8.250 nan 0.000 0.447 265 c N 0.351 118.828 118.600 -0.205 0.000 2.446 265 c HA 0.066 4.636 4.570 0.001 0.000 0.279 265 c C 2.598 176.500 174.090 -0.313 0.000 1.366 265 c CA 0.969 57.172 56.329 -0.211 0.000 1.763 265 c CB -0.852 41.572 42.510 -0.143 0.000 1.929 265 c HN 0.520 nan 8.230 nan 0.000 0.509 266 S N 0.417 115.868 115.700 -0.415 0.000 2.371 266 S HA -0.096 4.374 4.470 0.001 0.000 0.224 266 S C 1.770 175.900 174.600 -0.783 0.000 1.029 266 S CA 1.597 59.438 58.200 -0.598 0.000 0.978 266 S CB -0.198 62.713 63.200 -0.482 0.000 0.833 266 S HN 0.562 nan 8.310 nan 0.000 0.466 267 V N 2.157 121.596 119.914 -0.792 0.000 2.490 267 V HA -0.169 3.952 4.120 0.001 0.000 0.250 267 V C 2.165 178.102 176.094 -0.261 0.000 1.061 267 V CA 1.488 63.473 62.300 -0.525 0.000 1.064 267 V CB -0.616 30.811 31.823 -0.660 0.000 0.670 267 V HN 0.410 nan 8.190 nan 0.000 0.461 268 K N -0.100 120.142 120.400 -0.263 0.000 2.001 268 K HA -0.039 4.281 4.320 0.001 0.000 0.208 268 K C 2.187 178.730 176.600 -0.095 0.000 1.048 268 K CA 1.190 57.390 56.287 -0.145 0.000 0.932 268 K CB -0.324 32.086 32.500 -0.151 0.000 0.715 268 K HN 0.293 nan 8.250 nan 0.000 0.437 269 L N 0.332 121.429 121.223 -0.209 0.000 1.997 269 L HA -0.254 4.087 4.340 0.001 0.000 0.216 269 L C 2.440 179.406 176.870 0.159 0.000 1.074 269 L CA 1.839 56.585 54.840 -0.156 0.000 0.763 269 L CB -0.695 41.205 42.059 -0.264 0.000 0.890 269 L HN 0.198 nan 8.230 nan 0.000 0.434 270 F N -0.314 119.789 119.950 0.256 0.000 2.069 270 F HA -0.284 4.243 4.527 0.001 0.000 0.298 270 F C 2.928 179.002 175.800 0.457 0.000 1.113 270 F CA 0.950 59.207 58.000 0.428 0.000 1.214 270 F CB -0.407 38.702 39.000 0.183 0.000 0.978 270 F HN 0.158 nan 8.300 nan 0.000 0.474 271 Q N -0.178 119.831 119.800 0.348 0.000 2.135 271 Q HA -0.230 4.111 4.340 0.001 0.000 0.204 271 Q C 2.137 178.296 176.000 0.264 0.000 0.981 271 Q CA 1.562 57.493 55.803 0.213 0.000 0.856 271 Q CB -0.893 27.870 28.738 0.041 0.000 0.902 271 Q HN 0.525 nan 8.270 nan 0.000 0.425 272 F N 0.074 120.056 119.950 0.054 0.000 2.171 272 F HA -0.178 4.349 4.527 0.001 0.000 0.300 272 F C 1.665 177.446 175.800 -0.033 0.000 1.090 272 F CA 1.166 59.116 58.000 -0.085 0.000 1.293 272 F CB -0.236 38.582 39.000 -0.304 0.000 1.013 272 F HN -0.062 nan 8.300 nan 0.000 0.486 273 F N -1.387 118.715 119.950 0.254 0.000 2.335 273 F HA -0.111 4.416 4.527 0.001 0.000 0.296 273 F C 2.362 178.243 175.800 0.136 0.000 1.091 273 F CA 0.443 58.533 58.000 0.149 0.000 1.399 273 F CB -0.633 38.567 39.000 0.334 0.000 1.067 273 F HN 0.068 nan 8.300 nan 0.000 0.520 274 W N 2.052 123.489 121.300 0.228 0.000 2.338 274 W HA -0.158 4.502 4.660 0.001 0.000 0.304 274 W C -0.848 175.718 176.519 0.078 0.000 1.212 274 W CA 1.734 59.188 57.345 0.181 0.000 1.264 274 W CB -1.550 28.050 29.460 0.233 0.000 1.142 274 W HN 0.003 nan 8.180 nan 0.000 0.512 275 P HA -0.041 nan 4.420 nan 0.000 0.225 275 P C 0.215 177.506 177.300 -0.015 0.000 1.156 275 P CA 1.167 64.306 63.100 0.065 0.000 0.787 275 P CB -0.085 31.626 31.700 0.018 0.000 0.802 276 R N 0.250 120.724 120.500 -0.044 0.000 2.583 276 R HA 0.266 4.606 4.340 0.001 0.000 0.268 276 R C -2.019 174.268 176.300 -0.022 0.000 1.101 276 R CA -1.854 54.208 56.100 -0.063 0.000 1.180 276 R CB -0.883 29.337 30.300 -0.133 0.000 1.128 276 R HN -0.107 nan 8.270 nan 0.000 0.568 277 P HA 0.081 nan 4.420 nan 0.000 0.225 277 P C -0.985 176.322 177.300 0.012 0.000 1.768 277 P CA 0.222 63.317 63.100 -0.008 0.000 0.943 277 P CB 0.163 31.863 31.700 -0.001 0.000 1.936 278 V N 0.855 120.770 119.914 0.000 0.000 2.357 278 V HA 0.176 4.296 4.120 0.001 0.000 0.284 278 V C 1.491 177.539 176.094 -0.077 0.000 1.018 278 V CA -0.201 62.097 62.300 -0.003 0.000 0.841 278 V CB 1.889 33.721 31.823 0.014 0.000 0.991 278 V HN 0.213 nan 8.190 nan 0.000 0.437 279 E N 3.545 123.728 120.200 -0.028 0.000 2.060 279 E HA 0.020 4.371 4.350 0.001 0.000 0.189 279 E C -0.488 175.970 176.600 -0.235 0.000 0.974 279 E CA 0.760 57.104 56.400 -0.093 0.000 0.808 279 E CB 0.312 30.053 29.700 0.069 0.000 0.768 279 E HN 0.670 nan 8.360 nan 0.000 0.453 280 Y N 0.373 120.625 120.300 -0.080 0.000 2.328 280 Y HA 0.363 4.914 4.550 0.001 0.000 0.336 280 Y C -0.604 175.251 175.900 -0.074 0.000 0.960 280 Y CA -0.949 57.104 58.100 -0.078 0.000 1.134 280 Y CB 1.584 40.001 38.460 -0.071 0.000 1.166 280 Y HN 0.025 nan 8.280 nan 0.000 0.464 281 L N 5.640 126.867 121.223 0.006 0.000 2.313 281 L HA 0.575 4.915 4.340 0.001 0.000 0.283 281 L C -1.205 175.682 176.870 0.028 0.000 1.013 281 L CA -0.638 54.174 54.840 -0.048 0.000 0.816 281 L CB 0.714 42.691 42.059 -0.137 0.000 1.236 281 L HN 0.596 nan 8.230 nan 0.000 0.419 282 N N 6.443 125.169 118.700 0.043 0.000 2.258 282 N HA 0.560 5.300 4.740 0.001 0.000 0.299 282 N C -1.255 174.262 175.510 0.011 0.000 1.047 282 N CA -0.304 52.757 53.050 0.018 0.000 0.814 282 N CB 2.567 41.102 38.487 0.079 0.000 1.413 282 N HN 0.491 nan 8.380 nan 0.000 0.478 283 I N 1.980 122.502 120.570 -0.080 0.000 2.466 283 I HA 0.346 4.517 4.170 0.001 0.000 0.289 283 I C -1.278 174.744 176.117 -0.159 0.000 1.026 283 I CA -0.679 60.615 61.300 -0.008 0.000 1.078 283 I CB 1.366 39.434 38.000 0.113 0.000 1.249 283 I HN 0.348 nan 8.210 nan 0.000 0.429 284 Y N 4.361 124.685 120.300 0.040 0.000 2.350 284 Y HA 0.305 4.856 4.550 0.001 0.000 0.338 284 Y C 0.432 176.351 175.900 0.031 0.000 0.961 284 Y CA -0.909 57.207 58.100 0.025 0.000 1.100 284 Y CB 1.499 39.934 38.460 -0.043 0.000 1.179 284 Y HN 0.707 nan 8.280 nan 0.000 0.454 285 N N 2.177 121.047 118.700 0.283 0.000 2.726 285 N HA -0.211 4.529 4.740 0.001 0.000 0.253 285 N C -1.735 173.868 175.510 0.156 0.000 1.059 285 N CA 0.141 53.361 53.050 0.284 0.000 0.701 285 N CB -0.901 37.845 38.487 0.431 0.000 0.899 285 N HN 0.637 nan 8.380 nan 0.000 0.548 286 L N 0.768 122.049 121.223 0.096 0.000 2.371 286 L HA 0.605 4.946 4.340 0.001 0.000 0.272 286 L C -0.049 176.853 176.870 0.054 0.000 1.124 286 L CA 0.292 55.191 54.840 0.099 0.000 0.816 286 L CB 1.167 43.313 42.059 0.145 0.000 1.129 286 L HN 0.292 nan 8.230 nan 0.000 0.448 287 T N 6.458 121.056 114.554 0.074 0.000 2.991 287 T HA 0.446 4.796 4.350 0.001 0.000 0.347 287 T C -0.159 174.580 174.700 0.064 0.000 1.122 287 T CA -0.409 61.719 62.100 0.046 0.000 1.062 287 T CB 0.218 69.114 68.868 0.045 0.000 1.043 287 T HN 0.342 nan 8.240 nan 0.000 0.491 288 I N 2.725 123.335 120.570 0.066 0.000 2.618 288 I HA 0.118 4.289 4.170 0.001 0.000 0.284 288 I C 1.302 177.420 176.117 0.002 0.000 1.146 288 I CA 0.472 61.815 61.300 0.072 0.000 1.425 288 I CB 0.475 38.485 38.000 0.016 0.000 1.383 288 I HN 0.558 nan 8.210 nan 0.000 0.562 289 T N 4.308 118.877 114.554 0.026 0.000 3.286 289 T HA 0.091 4.441 4.350 0.001 0.000 0.237 289 T C 1.372 176.070 174.700 -0.003 0.000 0.969 289 T CA 0.504 62.610 62.100 0.010 0.000 1.298 289 T CB 0.373 69.259 68.868 0.030 0.000 1.053 289 T HN 0.607 nan 8.240 nan 0.000 0.402 290 E N 0.300 120.506 120.200 0.011 0.000 2.330 290 E HA 0.214 4.565 4.350 0.001 0.000 0.200 290 E C 0.382 176.987 176.600 0.008 0.000 0.922 290 E CA 0.108 56.516 56.400 0.014 0.000 0.935 290 E CB 0.717 30.432 29.700 0.025 0.000 0.917 290 E HN 0.364 nan 8.360 nan 0.000 0.491 291 R N 0.134 120.636 120.500 0.003 0.000 2.690 291 R HA 0.498 4.838 4.340 0.001 0.000 0.269 291 R C -1.395 174.889 176.300 -0.027 0.000 1.037 291 R CA -0.687 55.411 56.100 -0.003 0.000 0.877 291 R CB 0.810 31.132 30.300 0.037 0.000 1.255 291 R HN -0.130 nan 8.270 nan 0.000 0.467 292 I N 1.873 122.383 120.570 -0.100 0.000 2.466 292 I HA 0.332 4.503 4.170 0.001 0.000 0.279 292 I C -0.888 175.244 176.117 0.026 0.000 1.033 292 I CA -0.648 60.545 61.300 -0.178 0.000 1.123 292 I CB 1.628 39.104 38.000 -0.874 0.000 1.237 292 I HN 0.502 nan 8.210 nan 0.000 0.460 293 D N 4.996 125.499 120.400 0.171 0.000 2.525 293 D HA 0.399 5.039 4.640 0.001 0.000 0.249 293 D C -0.105 176.323 176.300 0.213 0.000 1.072 293 D CA -0.827 53.268 54.000 0.157 0.000 1.067 293 D CB 1.629 42.499 40.800 0.117 0.000 1.282 293 D HN 0.286 nan 8.370 nan 0.000 0.587 294 R N 1.036 121.633 120.500 0.161 0.000 2.351 294 R HA 0.112 4.452 4.340 0.001 0.000 0.318 294 R C -0.182 176.217 176.300 0.165 0.000 1.055 294 R CA 0.040 56.248 56.100 0.179 0.000 0.968 294 R CB 0.478 30.854 30.300 0.127 0.000 0.974 294 R HN 0.251 nan 8.270 nan 0.000 0.439 295 E N 2.696 123.025 120.200 0.216 0.000 2.191 295 E HA 0.130 4.480 4.350 0.001 0.000 0.274 295 E C -0.405 176.338 176.600 0.239 0.000 0.948 295 E CA -0.790 55.697 56.400 0.145 0.000 0.802 295 E CB 1.527 31.231 29.700 0.006 0.000 1.137 295 E HN 0.351 nan 8.360 nan 0.000 0.397 296 E N 1.918 122.179 120.200 0.102 0.000 2.360 296 E HA 0.307 4.658 4.350 0.001 0.000 0.269 296 E C -0.217 176.443 176.600 0.101 0.000 1.022 296 E CA 0.072 56.485 56.400 0.021 0.000 0.887 296 E CB 0.037 29.712 29.700 -0.041 0.000 0.990 296 E HN 0.380 nan 8.360 nan 0.000 0.426 297 F N -1.832 117.985 119.950 -0.220 0.000 2.690 297 F HA 0.488 5.015 4.527 0.001 0.000 0.311 297 F C -1.100 174.442 175.800 -0.430 0.000 1.111 297 F CA -1.041 56.734 58.000 -0.375 0.000 1.003 297 F CB 1.067 39.768 39.000 -0.498 0.000 1.283 297 F HN 0.164 nan 8.300 nan 0.000 0.442 298 T N -0.188 114.099 114.554 -0.445 0.000 2.916 298 T HA 0.528 4.878 4.350 0.001 0.000 0.298 298 T C -1.598 172.802 174.700 -0.501 0.000 1.031 298 T CA -0.733 61.108 62.100 -0.432 0.000 0.993 298 T CB 1.391 70.117 68.868 -0.238 0.000 1.045 298 T HN 0.642 nan 8.240 nan 0.000 0.454 299 Y N 1.597 121.819 120.300 -0.131 0.000 2.454 299 Y HA 0.518 5.068 4.550 0.001 0.000 0.345 299 Y C 0.936 176.879 175.900 0.072 0.000 0.970 299 Y CA -0.654 57.340 58.100 -0.176 0.000 1.204 299 Y CB 1.012 39.374 38.460 -0.163 0.000 1.122 299 Y HN 0.700 nan 8.280 nan 0.000 0.514 300 S N 1.985 117.869 115.700 0.306 0.000 2.745 300 S HA 0.166 4.636 4.470 0.001 0.000 0.292 300 S C -0.543 174.244 174.600 0.312 0.000 1.133 300 S CA -1.316 57.030 58.200 0.243 0.000 0.998 300 S CB 0.616 63.908 63.200 0.154 0.000 1.087 300 S HN 0.664 nan 8.310 nan 0.000 0.551 301 E N 0.779 121.082 120.200 0.172 0.000 3.056 301 E HA -0.103 4.247 4.350 0.001 0.000 0.264 301 E C -0.296 176.369 176.600 0.108 0.000 0.899 301 E CA 0.528 56.995 56.400 0.111 0.000 0.966 301 E CB -0.219 29.517 29.700 0.059 0.000 0.913 301 E HN 0.437 nan 8.360 nan 0.000 0.522 302 T N 0.186 114.745 114.554 0.009 0.000 2.883 302 T HA 0.540 4.890 4.350 0.001 0.000 0.301 302 T C 0.418 175.010 174.700 -0.180 0.000 1.158 302 T CA -0.041 61.973 62.100 -0.143 0.000 1.007 302 T CB 1.569 70.118 68.868 -0.531 0.000 1.186 302 T HN 0.471 nan 8.240 nan 0.000 0.499 303 A N 2.858 125.562 122.820 -0.193 0.000 2.072 303 A HA 0.354 4.674 4.320 0.001 0.000 0.216 303 A C 1.199 178.639 177.584 -0.240 0.000 1.156 303 A CA 0.162 52.100 52.037 -0.165 0.000 0.701 303 A CB -0.624 18.310 19.000 -0.110 0.000 0.816 303 A HN 0.748 nan 8.150 nan 0.000 0.458 304 L N 0.655 121.656 121.223 -0.371 0.000 2.667 304 L HA -0.083 4.257 4.340 0.001 0.000 0.278 304 L C 1.532 178.172 176.870 -0.383 0.000 1.217 304 L CA 0.441 55.016 54.840 -0.442 0.000 0.935 304 L CB 0.527 42.155 42.059 -0.717 0.000 1.193 304 L HN 0.458 nan 8.230 nan 0.000 0.493 305 K N 1.931 122.067 120.400 -0.440 0.000 2.276 305 K HA 0.023 4.344 4.320 0.001 0.000 0.198 305 K C 0.349 176.693 176.600 -0.426 0.000 1.052 305 K CA 0.301 56.321 56.287 -0.445 0.000 0.984 305 K CB 0.530 32.675 32.500 -0.591 0.000 0.836 305 K HN 0.517 nan 8.250 nan 0.000 0.490 306 S N 0.814 116.217 115.700 -0.495 0.000 2.689 306 S HA 0.342 4.813 4.470 0.001 0.000 0.274 306 S C -1.664 172.859 174.600 -0.128 0.000 1.176 306 S CA -1.006 57.022 58.200 -0.285 0.000 1.014 306 S CB 1.014 64.022 63.200 -0.320 0.000 1.071 306 S HN 0.145 nan 8.310 nan 0.000 0.478 307 L N 5.125 126.339 121.223 -0.017 0.000 2.307 307 L HA 0.750 5.091 4.340 0.001 0.000 0.282 307 L C -0.488 176.414 176.870 0.053 0.000 1.051 307 L CA -0.077 54.798 54.840 0.058 0.000 0.804 307 L CB 1.351 43.497 42.059 0.145 0.000 1.197 307 L HN 0.909 nan 8.230 nan 0.000 0.431 308 M N 6.933 126.559 119.600 0.044 0.000 2.149 308 M HA 0.443 4.924 4.480 0.001 0.000 0.273 308 M C -1.872 174.390 176.300 -0.064 0.000 0.972 308 M CA -0.252 55.038 55.300 -0.017 0.000 0.984 308 M CB 1.243 33.824 32.600 -0.032 0.000 1.699 308 M HN 0.502 nan 8.290 nan 0.000 0.462 309 I N 3.057 123.598 120.570 -0.049 0.000 2.404 309 I HA 0.483 4.653 4.170 0.001 0.000 0.293 309 I C -0.488 175.566 176.117 -0.104 0.000 0.992 309 I CA -0.518 60.755 61.300 -0.044 0.000 1.149 309 I CB 2.105 40.157 38.000 0.086 0.000 1.315 309 I HN 0.655 nan 8.210 nan 0.000 0.446 310 E N 5.043 125.159 120.200 -0.139 0.000 2.278 310 E HA 0.295 4.645 4.350 0.001 0.000 0.272 310 E C -1.266 175.398 176.600 0.106 0.000 0.890 310 E CA -0.779 55.587 56.400 -0.057 0.000 0.770 310 E CB 1.195 30.839 29.700 -0.092 0.000 1.212 310 E HN 0.675 nan 8.360 nan 0.000 0.415 311 H N 1.249 120.299 119.070 -0.033 0.000 3.609 311 H HA -0.115 4.441 4.556 0.001 0.000 0.357 311 H C -2.236 173.086 175.328 -0.009 0.000 1.049 311 H CA 0.366 56.412 56.048 -0.002 0.000 1.107 311 H CB -1.108 28.698 29.762 0.072 0.000 1.488 311 H HN 0.154 nan 8.280 nan 0.000 0.379 312 V N 6.533 126.283 119.914 -0.273 0.000 2.407 312 V HA 0.327 4.447 4.120 0.001 0.000 0.291 312 V C 0.282 176.205 176.094 -0.285 0.000 1.018 312 V CA -0.725 61.423 62.300 -0.254 0.000 0.842 312 V CB 1.709 33.370 31.823 -0.271 0.000 0.996 312 V HN 0.533 nan 8.190 nan 0.000 0.426 313 K N 3.534 123.792 120.400 -0.237 0.000 2.201 313 K HA 0.499 4.820 4.320 0.001 0.000 0.278 313 K C -0.531 176.022 176.600 -0.079 0.000 1.027 313 K CA -0.630 55.567 56.287 -0.150 0.000 0.909 313 K CB 1.360 33.787 32.500 -0.122 0.000 1.062 313 K HN 0.534 nan 8.250 nan 0.000 0.465 314 N N 2.319 120.974 118.700 -0.074 0.000 2.399 314 N HA 0.076 4.817 4.740 0.001 0.000 0.280 314 N C -0.278 175.078 175.510 -0.257 0.000 1.008 314 N CA -0.341 52.641 53.050 -0.113 0.000 0.894 314 N CB 1.536 39.989 38.487 -0.057 0.000 1.273 314 N HN 0.513 nan 8.380 nan 0.000 0.486 315 Q N 1.157 120.806 119.800 -0.253 0.000 2.356 315 Q HA 0.232 4.572 4.340 0.001 0.000 0.205 315 Q C -0.055 175.670 176.000 -0.459 0.000 0.901 315 Q CA 0.162 55.784 55.803 -0.302 0.000 0.938 315 Q CB 0.896 29.578 28.738 -0.093 0.000 1.081 315 Q HN 0.350 nan 8.270 nan 0.000 0.517 316 V N 0.754 120.404 119.914 -0.441 0.000 2.509 316 V HA 0.165 4.285 4.120 0.001 0.000 0.284 316 V C 0.089 175.979 176.094 -0.341 0.000 1.047 316 V CA 0.045 62.166 62.300 -0.298 0.000 0.952 316 V CB 0.855 32.531 31.823 -0.246 0.000 0.988 316 V HN 0.157 nan 8.190 nan 0.000 0.469 317 F N 2.346 122.433 119.950 0.229 0.000 2.592 317 F HA 0.385 4.913 4.527 0.001 0.000 0.280 317 F C 0.636 176.522 175.800 0.143 0.000 1.083 317 F CA -0.073 58.050 58.000 0.204 0.000 1.365 317 F CB 0.480 39.540 39.000 0.100 0.000 1.100 317 F HN 0.221 nan 8.300 nan 0.000 0.633 318 L N 1.953 123.365 121.223 0.315 0.000 2.265 318 L HA 0.506 4.846 4.340 0.001 0.000 0.289 318 L C -1.099 175.915 176.870 0.239 0.000 1.033 318 L CA -0.656 54.269 54.840 0.142 0.000 0.814 318 L CB 0.417 42.542 42.059 0.111 0.000 1.203 318 L HN 0.057 nan 8.230 nan 0.000 0.423 319 F N 0.329 120.260 119.950 -0.032 0.000 2.769 319 F HA 0.351 4.878 4.527 0.001 0.000 0.313 319 F C -0.546 175.202 175.800 -0.087 0.000 1.146 319 F CA -1.087 56.873 58.000 -0.067 0.000 0.934 319 F CB 1.294 40.223 39.000 -0.119 0.000 1.283 319 F HN 0.205 nan 8.300 nan 0.000 0.443 320 S N 1.629 117.379 115.700 0.083 0.000 2.465 320 S HA 0.227 4.698 4.470 0.001 0.000 0.280 320 S C 0.775 175.372 174.600 -0.005 0.000 1.232 320 S CA -0.402 57.785 58.200 -0.021 0.000 1.066 320 S CB 0.606 63.825 63.200 0.033 0.000 0.929 320 S HN 0.707 nan 8.310 nan 0.000 0.494 321 K N 3.942 124.218 120.400 -0.208 0.000 2.280 321 K HA -0.060 4.260 4.320 0.001 0.000 0.202 321 K C 1.780 178.295 176.600 -0.143 0.000 1.047 321 K CA 1.459 57.591 56.287 -0.259 0.000 0.942 321 K CB -0.099 32.237 32.500 -0.274 0.000 0.739 321 K HN 0.706 nan 8.250 nan 0.000 0.457 322 E N 0.215 120.416 120.200 0.002 0.000 2.038 322 E HA -0.217 4.134 4.350 0.001 0.000 0.195 322 E C 1.977 178.636 176.600 0.098 0.000 1.000 322 E CA 1.452 57.904 56.400 0.087 0.000 0.803 322 E CB -0.219 29.534 29.700 0.088 0.000 0.750 322 E HN 0.375 nan 8.360 nan 0.000 0.448 323 A N 0.495 123.368 122.820 0.088 0.000 2.032 323 A HA -0.199 4.122 4.320 0.001 0.000 0.221 323 A C 2.091 179.739 177.584 0.107 0.000 1.165 323 A CA 1.418 53.540 52.037 0.141 0.000 0.645 323 A CB -0.371 18.712 19.000 0.140 0.000 0.807 323 A HN 0.271 nan 8.150 nan 0.000 0.453 324 L N -2.626 118.509 121.223 -0.146 0.000 2.262 324 L HA 0.172 4.513 4.340 0.001 0.000 0.197 324 L C 2.219 179.034 176.870 -0.092 0.000 1.073 324 L CA 1.272 55.846 54.840 -0.442 0.000 0.800 324 L CB -0.579 40.947 42.059 -0.890 0.000 0.987 324 L HN 0.409 nan 8.230 nan 0.000 0.470 325 Y N -0.042 120.282 120.300 0.038 0.000 2.373 325 Y HA -0.152 4.398 4.550 0.001 0.000 0.293 325 Y C 2.806 178.833 175.900 0.211 0.000 1.129 325 Y CA 0.748 58.923 58.100 0.125 0.000 1.226 325 Y CB -0.340 38.135 38.460 0.025 0.000 1.000 325 Y HN 0.430 nan 8.280 nan 0.000 0.549 326 S N -0.604 115.287 115.700 0.318 0.000 2.383 326 S HA -0.149 4.321 4.470 0.001 0.000 0.227 326 S C 1.937 176.701 174.600 0.274 0.000 1.026 326 S CA 1.027 59.423 58.200 0.326 0.000 0.981 326 S CB -1.074 62.330 63.200 0.340 0.000 0.818 326 S HN 0.210 nan 8.310 nan 0.000 0.472 327 V N 0.965 120.885 119.914 0.010 0.000 2.439 327 V HA -0.190 3.930 4.120 0.001 0.000 0.253 327 V C 2.021 177.874 176.094 -0.401 0.000 1.074 327 V CA 2.034 64.012 62.300 -0.538 0.000 1.076 327 V CB -1.020 30.463 31.823 -0.567 0.000 0.664 327 V HN 0.551 nan 8.190 nan 0.000 0.461 328 F N -0.442 119.575 119.950 0.112 0.000 2.317 328 F HA 0.238 4.765 4.527 0.001 0.000 0.290 328 F C 2.363 178.317 175.800 0.257 0.000 1.075 328 F CA 0.792 58.867 58.000 0.126 0.000 1.380 328 F CB -0.762 38.352 39.000 0.190 0.000 1.093 328 F HN 0.031 nan 8.300 nan 0.000 0.524 329 A N 0.472 123.573 122.820 0.468 0.000 1.902 329 A HA -0.181 4.139 4.320 0.001 0.000 0.217 329 A C 1.690 179.516 177.584 0.403 0.000 1.181 329 A CA 1.559 53.873 52.037 0.461 0.000 0.623 329 A CB -0.792 18.422 19.000 0.355 0.000 0.818 329 A HN 0.458 nan 8.150 nan 0.000 0.443 330 E N -0.354 120.041 120.200 0.325 0.000 2.365 330 E HA 0.133 4.483 4.350 0.001 0.000 0.188 330 E C -0.262 176.405 176.600 0.112 0.000 1.102 330 E CA -0.269 56.291 56.400 0.267 0.000 0.927 330 E CB -0.232 29.713 29.700 0.408 0.000 1.073 330 E HN 0.623 nan 8.360 nan 0.000 0.467 331 M N 2.394 121.954 119.600 -0.067 0.000 2.235 331 M HA 0.076 4.557 4.480 0.001 0.000 0.351 331 M C 0.513 176.634 176.300 -0.298 0.000 1.178 331 M CA -0.336 54.728 55.300 -0.393 0.000 1.143 331 M CB 0.622 33.160 32.600 -0.102 0.000 1.530 331 M HN -0.040 nan 8.290 nan 0.000 0.461 332 N N 4.849 123.493 118.700 -0.093 0.000 2.839 332 N HA 0.241 4.981 4.740 0.001 0.000 0.314 332 N C -0.803 174.665 175.510 -0.070 0.000 1.449 332 N CA -0.258 52.737 53.050 -0.093 0.000 1.050 332 N CB -0.344 38.180 38.487 0.062 0.000 1.364 332 N HN 0.665 nan 8.380 nan 0.000 0.512 333 I N -3.781 116.722 120.570 -0.111 0.000 3.100 333 I HA 0.461 4.631 4.170 0.001 0.000 0.312 333 I C 0.623 176.742 176.117 0.003 0.000 1.063 333 I CA -1.107 60.157 61.300 -0.061 0.000 1.031 333 I CB 1.756 39.739 38.000 -0.029 0.000 1.243 333 I HN -0.240 nan 8.210 nan 0.000 0.483 334 K N 1.138 121.553 120.400 0.024 0.000 2.186 334 K HA 0.295 4.615 4.320 0.001 0.000 0.202 334 K C -0.073 176.670 176.600 0.237 0.000 1.052 334 K CA 1.149 57.495 56.287 0.099 0.000 0.965 334 K CB 0.137 32.645 32.500 0.014 0.000 0.746 334 K HN 0.578 nan 8.250 nan 0.000 0.457 335 M N 1.418 121.125 119.600 0.180 0.000 2.259 335 M HA 0.303 4.783 4.480 0.001 0.000 0.304 335 M C -1.495 174.915 176.300 0.182 0.000 1.019 335 M CA -0.875 54.568 55.300 0.237 0.000 0.922 335 M CB 2.425 35.074 32.600 0.082 0.000 1.600 335 M HN -0.161 nan 8.290 nan 0.000 0.433 336 L N 2.522 123.789 121.223 0.074 0.000 2.376 336 L HA 0.667 5.008 4.340 0.001 0.000 0.275 336 L C -1.097 175.613 176.870 -0.267 0.000 0.987 336 L CA 0.159 54.942 54.840 -0.095 0.000 0.828 336 L CB 1.967 43.857 42.059 -0.281 0.000 1.249 336 L HN 0.663 nan 8.230 nan 0.000 0.409 337 S N 6.253 121.858 115.700 -0.159 0.000 2.478 337 S HA 0.713 5.183 4.470 0.001 0.000 0.312 337 S C -0.484 173.991 174.600 -0.209 0.000 1.094 337 S CA -0.338 57.706 58.200 -0.260 0.000 1.081 337 S CB 1.038 64.203 63.200 -0.060 0.000 1.007 337 S HN 0.506 nan 8.310 nan 0.000 0.475 338 I N 2.791 123.217 120.570 -0.240 0.000 2.476 338 I HA 0.351 4.521 4.170 0.001 0.000 0.281 338 I C -0.482 175.613 176.117 -0.036 0.000 1.040 338 I CA -0.107 61.174 61.300 -0.033 0.000 1.094 338 I CB 1.628 39.726 38.000 0.163 0.000 1.219 338 I HN 0.470 nan 8.210 nan 0.000 0.450 339 S N 3.439 119.086 115.700 -0.089 0.000 2.568 339 S HA 0.382 4.853 4.470 0.001 0.000 0.293 339 S C -0.425 174.117 174.600 -0.096 0.000 1.089 339 S CA -0.471 57.666 58.200 -0.105 0.000 0.945 339 S CB 1.891 65.040 63.200 -0.085 0.000 1.077 339 S HN 0.770 nan 8.310 nan 0.000 0.485 340 D N 1.401 121.745 120.400 -0.093 0.000 2.746 340 D HA -0.149 4.491 4.640 0.001 0.000 0.241 340 D C -0.124 176.112 176.300 -0.106 0.000 1.140 340 D CA 1.434 55.410 54.000 -0.041 0.000 0.707 340 D CB -1.129 39.709 40.800 0.063 0.000 1.034 340 D HN 0.723 nan 8.370 nan 0.000 0.423 341 T N -2.574 111.840 114.554 -0.233 0.000 2.865 341 T HA 0.777 5.128 4.350 0.001 0.000 0.294 341 T C -2.470 172.061 174.700 -0.282 0.000 1.119 341 T CA -1.179 60.661 62.100 -0.433 0.000 1.007 341 T CB 2.425 70.673 68.868 -1.033 0.000 1.225 341 T HN -0.203 nan 8.240 nan 0.000 0.515 342 P HA 0.283 nan 4.420 nan 0.000 0.253 342 P C -0.277 177.177 177.300 0.258 0.000 1.260 342 P CA -0.339 62.784 63.100 0.039 0.000 0.800 342 P CB -0.346 31.417 31.700 0.106 0.000 1.162 343 F N 1.271 121.344 119.950 0.206 0.000 2.563 343 F HA 0.051 4.578 4.527 0.001 0.000 0.363 343 F C 2.060 178.052 175.800 0.320 0.000 1.123 343 F CA -0.947 57.251 58.000 0.330 0.000 1.307 343 F CB -0.261 38.976 39.000 0.396 0.000 1.115 343 F HN -0.092 nan 8.300 nan 0.000 0.592 344 I N -1.250 119.585 120.570 0.442 0.000 4.018 344 I HA 0.366 4.537 4.170 0.001 0.000 0.337 344 I C -0.155 175.925 176.117 -0.062 0.000 1.327 344 I CA 0.205 61.641 61.300 0.226 0.000 1.100 344 I CB 0.102 38.201 38.000 0.165 0.000 1.025 344 I HN 0.583 nan 8.210 nan 0.000 0.396 345 H N 0.775 119.423 119.070 -0.703 0.000 2.935 345 H HA 0.654 5.210 4.556 0.001 0.000 0.297 345 H C -1.715 172.490 175.328 -1.872 0.000 1.423 345 H CA -0.776 54.474 56.048 -1.330 0.000 1.161 345 H CB 1.642 30.968 29.762 -0.728 0.000 1.841 345 H HN 0.106 nan 8.280 nan 0.000 0.506 346 M N 2.641 120.998 119.600 -2.072 0.000 2.324 346 M HA 0.501 4.981 4.480 0.001 0.000 0.288 346 M C -1.772 174.062 176.300 -0.777 0.000 1.097 346 M CA -0.640 53.868 55.300 -1.320 0.000 0.928 346 M CB 1.686 33.549 32.600 -1.229 0.000 1.648 346 M HN 0.311 nan 8.290 nan 0.000 0.460 347 V N 3.236 123.041 119.914 -0.183 0.000 2.811 347 V HA 0.177 4.297 4.120 0.001 0.000 0.302 347 V C 0.056 176.287 176.094 0.230 0.000 1.063 347 V CA -0.470 61.893 62.300 0.105 0.000 1.088 347 V CB 1.246 33.193 31.823 0.206 0.000 0.982 347 V HN 1.017 nan 8.190 nan 0.000 0.485 348 c N 7.805 126.550 118.600 0.242 0.000 2.585 348 c HA 0.376 4.946 4.570 0.001 0.000 0.406 348 c C -1.997 172.191 174.090 0.163 0.000 1.312 348 c CA -1.666 54.795 56.329 0.220 0.000 1.924 348 c CB -0.050 42.564 42.510 0.174 0.000 2.578 348 c HN 0.782 nan 8.230 nan 0.000 0.580 349 P HA 0.095 nan 4.420 nan 0.000 0.263 349 P C -2.032 175.325 177.300 0.095 0.000 1.175 349 P CA -0.574 62.611 63.100 0.142 0.000 0.761 349 P CB 0.114 31.881 31.700 0.113 0.000 0.794 350 P HA -0.020 nan 4.420 nan 0.000 0.220 350 P C -0.112 177.214 177.300 0.043 0.000 1.152 350 P CA 1.223 64.364 63.100 0.069 0.000 0.812 350 P CB 0.418 32.161 31.700 0.071 0.000 0.792 351 S N -0.909 114.813 115.700 0.037 0.000 2.599 351 S HA 0.521 4.991 4.470 0.001 0.000 0.294 351 S C -2.749 171.854 174.600 0.005 0.000 1.094 351 S CA -1.505 56.705 58.200 0.017 0.000 0.931 351 S CB 1.006 64.214 63.200 0.013 0.000 1.093 351 S HN -0.175 nan 8.310 nan 0.000 0.488 352 P HA 0.024 nan 4.420 nan 0.000 0.256 352 P C -0.204 177.072 177.300 -0.041 0.000 1.173 352 P CA 0.344 63.435 63.100 -0.015 0.000 0.768 352 P CB 0.017 31.710 31.700 -0.012 0.000 0.758 353 S N 1.905 117.568 115.700 -0.062 0.000 2.666 353 S HA 0.434 4.904 4.470 0.001 0.000 0.279 353 S C 0.919 175.430 174.600 -0.148 0.000 1.149 353 S CA 0.188 58.289 58.200 -0.164 0.000 1.020 353 S CB 0.842 63.874 63.200 -0.280 0.000 1.127 353 S HN 0.349 nan 8.310 nan 0.000 0.537 354 S N -1.477 114.071 115.700 -0.254 0.000 2.666 354 S HA 0.355 4.826 4.470 0.001 0.000 0.239 354 S C -0.131 174.439 174.600 -0.050 0.000 1.031 354 S CA -0.692 57.432 58.200 -0.127 0.000 1.015 354 S CB -0.836 62.295 63.200 -0.116 0.000 0.981 354 S HN 0.577 nan 8.310 nan 0.000 0.547 355 F N 3.678 123.635 119.950 0.012 0.000 2.604 355 F HA 0.064 4.592 4.527 0.001 0.000 0.393 355 F C 1.974 177.785 175.800 0.018 0.000 1.043 355 F CA 0.644 58.655 58.000 0.019 0.000 1.227 355 F CB 0.642 39.647 39.000 0.009 0.000 1.016 355 F HN 0.369 nan 8.300 nan 0.000 0.556 356 T N 0.550 115.256 114.554 0.254 0.000 3.043 356 T HA 0.199 4.549 4.350 0.001 0.000 0.272 356 T C -0.411 174.419 174.700 0.217 0.000 0.990 356 T CA -0.187 62.017 62.100 0.173 0.000 0.897 356 T CB -0.067 68.875 68.868 0.123 0.000 1.111 356 T HN 0.340 nan 8.240 nan 0.000 0.529 357 F N 1.360 121.335 119.950 0.041 0.000 2.585 357 F HA 0.701 5.228 4.527 0.001 0.000 0.319 357 F C -2.176 173.547 175.800 -0.127 0.000 1.165 357 F CA -1.372 56.609 58.000 -0.031 0.000 0.949 357 F CB 1.537 40.519 39.000 -0.031 0.000 1.218 357 F HN -0.027 nan 8.300 nan 0.000 0.453 358 L N 5.667 126.399 121.223 -0.818 0.000 2.409 358 L HA 0.465 4.806 4.340 0.001 0.000 0.272 358 L C -1.253 175.007 176.870 -1.016 0.000 0.980 358 L CA -0.782 53.574 54.840 -0.807 0.000 0.826 358 L CB 2.140 43.986 42.059 -0.357 0.000 1.268 358 L HN 0.600 nan 8.230 nan 0.000 0.407 359 N N 3.363 121.416 118.700 -1.079 0.000 2.609 359 N HA 0.327 5.067 4.740 0.001 0.000 0.268 359 N C -1.495 173.574 175.510 -0.735 0.000 1.106 359 N CA -0.356 52.256 53.050 -0.729 0.000 0.823 359 N CB 0.619 38.837 38.487 -0.448 0.000 1.263 359 N HN 0.332 nan 8.380 nan 0.000 0.533 360 F N 1.228 121.021 119.950 -0.262 0.000 2.461 360 F HA 0.294 4.821 4.527 0.001 0.000 0.321 360 F C 1.004 176.549 175.800 -0.426 0.000 1.203 360 F CA -0.509 57.259 58.000 -0.387 0.000 1.238 360 F CB 0.801 39.456 39.000 -0.575 0.000 1.528 360 F HN 0.071 nan 8.300 nan 0.000 0.554 361 T N 1.088 115.536 114.554 -0.177 0.000 2.907 361 T HA 0.047 4.398 4.350 0.001 0.000 0.298 361 T C 0.351 174.958 174.700 -0.155 0.000 1.017 361 T CA 0.067 62.079 62.100 -0.148 0.000 1.118 361 T CB 0.758 69.567 68.868 -0.098 0.000 0.948 361 T HN 0.607 nan 8.240 nan 0.000 0.531 362 Q N 1.888 121.606 119.800 -0.137 0.000 2.453 362 Q HA -0.234 4.106 4.340 0.001 0.000 0.330 362 Q C -0.412 175.508 176.000 -0.134 0.000 1.417 362 Q CA 0.659 56.400 55.803 -0.105 0.000 0.902 362 Q CB -1.220 27.482 28.738 -0.060 0.000 1.154 362 Q HN 0.815 nan 8.270 nan 0.000 0.395 363 N N -1.648 116.933 118.700 -0.199 0.000 3.254 363 N HA 0.634 5.375 4.740 0.001 0.000 0.344 363 N C -0.629 174.860 175.510 -0.035 0.000 1.417 363 N CA -0.269 52.684 53.050 -0.162 0.000 0.646 363 N CB 1.039 39.317 38.487 -0.348 0.000 1.493 363 N HN 0.016 nan 8.380 nan 0.000 0.547 364 V N 1.112 121.090 119.914 0.106 0.000 2.771 364 V HA 0.368 4.489 4.120 0.001 0.000 0.355 364 V C -1.027 175.235 176.094 0.280 0.000 1.289 364 V CA -0.246 62.146 62.300 0.154 0.000 1.231 364 V CB -0.906 31.000 31.823 0.140 0.000 1.396 364 V HN 0.349 nan 8.190 nan 0.000 0.628 365 F N 2.400 122.316 119.950 -0.057 0.000 2.490 365 F HA 0.536 5.064 4.527 0.001 0.000 0.336 365 F C 1.256 177.003 175.800 -0.088 0.000 1.178 365 F CA -0.148 57.778 58.000 -0.123 0.000 1.301 365 F CB 0.972 39.838 39.000 -0.222 0.000 1.175 365 F HN 0.373 nan 8.300 nan 0.000 0.593 366 T N -2.568 112.008 114.554 0.037 0.000 2.910 366 T HA 0.359 4.709 4.350 0.001 0.000 0.287 366 T C 0.303 174.980 174.700 -0.039 0.000 1.050 366 T CA -0.497 61.609 62.100 0.009 0.000 1.011 366 T CB 1.371 70.242 68.868 0.005 0.000 1.195 366 T HN 0.418 nan 8.240 nan 0.000 0.540 367 D N 0.110 120.493 120.400 -0.028 0.000 2.378 367 D HA -0.065 4.576 4.640 0.001 0.000 0.222 367 D C 1.833 178.099 176.300 -0.056 0.000 0.980 367 D CA 0.862 54.834 54.000 -0.046 0.000 0.907 367 D CB -0.353 40.425 40.800 -0.037 0.000 0.899 367 D HN 0.515 nan 8.370 nan 0.000 0.527 368 S N -0.454 115.221 115.700 -0.041 0.000 2.562 368 S HA 0.005 4.476 4.470 0.001 0.000 0.221 368 S C 0.968 175.549 174.600 -0.033 0.000 0.975 368 S CA -0.478 57.715 58.200 -0.012 0.000 0.918 368 S CB -0.445 62.760 63.200 0.008 0.000 0.772 368 S HN 0.189 nan 8.310 nan 0.000 0.531 369 V N 3.036 122.810 119.914 -0.232 0.000 2.644 369 V HA 0.112 4.233 4.120 0.001 0.000 0.305 369 V C 0.306 176.160 176.094 -0.400 0.000 1.053 369 V CA 0.501 62.397 62.300 -0.673 0.000 1.186 369 V CB -1.329 29.938 31.823 -0.927 0.000 0.895 369 V HN 0.696 nan 8.190 nan 0.000 0.490 370 F N 2.890 122.704 119.950 -0.226 0.000 3.100 370 F HA -0.202 4.326 4.527 0.001 0.000 0.283 370 F C 1.044 176.808 175.800 -0.060 0.000 0.900 370 F CA 0.056 57.988 58.000 -0.114 0.000 1.010 370 F CB -0.941 38.005 39.000 -0.091 0.000 1.029 370 F HN 0.549 nan 8.300 nan 0.000 0.637 371 Q N 1.340 121.196 119.800 0.093 0.000 2.274 371 Q HA 0.245 4.585 4.340 0.001 0.000 0.280 371 Q C 1.173 177.206 176.000 0.055 0.000 1.047 371 Q CA 1.063 56.895 55.803 0.050 0.000 0.907 371 Q CB 0.940 29.692 28.738 0.023 0.000 1.171 371 Q HN 0.558 nan 8.270 nan 0.000 0.381 372 G N 2.787 111.606 108.800 0.032 0.000 2.390 372 G HA2 -0.302 3.658 3.960 0.001 0.000 0.299 372 G HA3 -0.302 3.658 3.960 0.001 0.000 0.299 372 G C 0.305 175.226 174.900 0.035 0.000 1.002 372 G CA 0.375 45.489 45.100 0.023 0.000 0.979 372 G HN 0.705 nan 8.290 nan 0.000 0.513 373 c N 1.718 120.347 118.600 0.049 0.000 2.303 373 c HA 0.677 5.248 4.570 0.001 0.000 0.341 373 c C 1.559 175.648 174.090 -0.002 0.000 1.244 373 c CA 0.097 56.446 56.329 0.034 0.000 1.765 373 c CB -0.204 42.331 42.510 0.042 0.000 2.379 373 c HN 0.924 nan 8.230 nan 0.000 0.530 374 S N 2.857 118.558 115.700 0.001 0.000 2.561 374 S HA 0.136 4.606 4.470 0.001 0.000 0.245 374 S C 0.574 175.169 174.600 -0.008 0.000 1.001 374 S CA -0.140 58.058 58.200 -0.003 0.000 1.002 374 S CB 0.159 63.362 63.200 0.005 0.000 0.805 374 S HN 0.831 nan 8.310 nan 0.000 0.458 375 T N 1.392 115.933 114.554 -0.022 0.000 3.332 375 T HA 0.422 4.772 4.350 0.001 0.000 0.304 375 T C 0.005 174.685 174.700 -0.032 0.000 0.971 375 T CA -0.148 61.942 62.100 -0.017 0.000 0.954 375 T CB -0.150 68.718 68.868 -0.001 0.000 1.175 375 T HN 0.407 nan 8.240 nan 0.000 0.519 376 L N 1.033 122.223 121.223 -0.055 0.000 3.186 376 L HA 0.441 4.782 4.340 0.001 0.000 0.292 376 L C 1.330 178.186 176.870 -0.023 0.000 1.303 376 L CA -0.166 54.641 54.840 -0.055 0.000 0.940 376 L CB 0.436 42.392 42.059 -0.172 0.000 1.358 376 L HN -0.054 nan 8.230 nan 0.000 0.581 377 K N -0.045 120.350 120.400 -0.009 0.000 2.504 377 K HA 0.037 4.358 4.320 0.001 0.000 0.195 377 K C 1.693 178.300 176.600 0.012 0.000 1.036 377 K CA 0.634 56.923 56.287 0.003 0.000 0.984 377 K CB 0.207 32.708 32.500 0.003 0.000 0.788 377 K HN 0.333 nan 8.250 nan 0.000 0.488 378 R N 0.108 120.619 120.500 0.017 0.000 2.237 378 R HA 0.091 4.431 4.340 0.001 0.000 0.195 378 R C 0.112 176.440 176.300 0.046 0.000 0.956 378 R CA -0.288 55.830 56.100 0.029 0.000 1.029 378 R CB 0.174 30.488 30.300 0.025 0.000 0.972 378 R HN -0.007 nan 8.270 nan 0.000 0.493 379 L N 2.231 123.483 121.223 0.047 0.000 2.660 379 L HA -0.113 4.228 4.340 0.001 0.000 0.272 379 L C 0.713 177.607 176.870 0.041 0.000 1.194 379 L CA 1.085 55.955 54.840 0.050 0.000 0.945 379 L CB 0.543 42.608 42.059 0.011 0.000 1.212 379 L HN 0.171 nan 8.230 nan 0.000 0.490 380 Q N 2.336 122.170 119.800 0.057 0.000 2.387 380 Q HA 0.182 4.522 4.340 0.001 0.000 0.212 380 Q C -0.212 175.814 176.000 0.044 0.000 0.925 380 Q CA 0.675 56.511 55.803 0.054 0.000 0.901 380 Q CB 0.512 29.294 28.738 0.072 0.000 1.020 380 Q HN 0.720 nan 8.270 nan 0.000 0.545 381 T N 1.611 116.189 114.554 0.041 0.000 2.840 381 T HA 0.509 4.859 4.350 0.001 0.000 0.287 381 T C -1.359 173.248 174.700 -0.155 0.000 0.991 381 T CA -0.442 61.652 62.100 -0.010 0.000 0.964 381 T CB 1.516 70.440 68.868 0.093 0.000 0.954 381 T HN -0.007 nan 8.240 nan 0.000 0.438 382 L N 4.710 125.865 121.223 -0.114 0.000 2.365 382 L HA 0.763 5.103 4.340 0.001 0.000 0.273 382 L C -1.512 175.289 176.870 -0.116 0.000 1.000 382 L CA -0.640 54.126 54.840 -0.123 0.000 0.819 382 L CB 1.080 43.157 42.059 0.028 0.000 1.284 382 L HN 0.653 nan 8.230 nan 0.000 0.418 383 I N 6.625 127.091 120.570 -0.172 0.000 2.439 383 I HA 0.280 4.451 4.170 0.001 0.000 0.285 383 I C -0.261 175.819 176.117 -0.062 0.000 1.021 383 I CA -0.275 60.946 61.300 -0.133 0.000 1.091 383 I CB 1.783 39.658 38.000 -0.209 0.000 1.242 383 I HN 0.637 nan 8.210 nan 0.000 0.439 384 L N 5.572 126.782 121.223 -0.023 0.000 3.168 384 L HA 0.239 4.579 4.340 0.001 0.000 0.277 384 L C 0.733 177.570 176.870 -0.054 0.000 1.245 384 L CA -0.102 54.729 54.840 -0.016 0.000 1.035 384 L CB 0.372 42.456 42.059 0.042 0.000 1.399 384 L HN 0.622 nan 8.230 nan 0.000 0.580 385 Q N 2.080 121.843 119.800 -0.062 0.000 2.286 385 Q HA 0.020 4.361 4.340 0.001 0.000 0.290 385 Q C 0.098 176.056 176.000 -0.069 0.000 1.049 385 Q CA 0.360 56.129 55.803 -0.058 0.000 0.923 385 Q CB 0.319 29.025 28.738 -0.052 0.000 1.183 385 Q HN 0.270 nan 8.270 nan 0.000 0.383 386 R N 2.506 122.974 120.500 -0.054 0.000 3.281 386 R HA -0.179 4.162 4.340 0.001 0.000 0.271 386 R C -1.292 174.972 176.300 -0.059 0.000 1.099 386 R CA 0.749 56.819 56.100 -0.050 0.000 0.732 386 R CB -1.725 28.546 30.300 -0.048 0.000 1.269 386 R HN 0.916 nan 8.270 nan 0.000 0.412 387 N N -2.163 116.510 118.700 -0.045 0.000 3.369 387 N HA 0.555 5.295 4.740 0.001 0.000 0.362 387 N C 0.640 176.154 175.510 0.007 0.000 1.523 387 N CA -0.238 52.797 53.050 -0.026 0.000 0.684 387 N CB 0.701 39.169 38.487 -0.031 0.000 1.796 387 N HN 0.125 nan 8.380 nan 0.000 0.641 388 G N 0.104 108.925 108.800 0.035 0.000 3.936 388 G HA2 0.276 4.237 3.960 0.001 0.000 0.296 388 G HA3 0.276 4.237 3.960 0.001 0.000 0.296 388 G C -0.513 174.403 174.900 0.026 0.000 1.121 388 G CA -0.219 44.900 45.100 0.031 0.000 0.899 388 G HN 0.207 nan 8.290 nan 0.000 0.542 389 L N 0.639 121.874 121.223 0.020 0.000 2.500 389 L HA 0.178 4.519 4.340 0.001 0.000 0.272 389 L C 1.468 178.341 176.870 0.004 0.000 1.149 389 L CA -0.192 54.653 54.840 0.009 0.000 0.897 389 L CB 1.101 43.163 42.059 0.004 0.000 1.178 389 L HN 0.119 nan 8.230 nan 0.000 0.473 390 K N 2.862 123.263 120.400 0.002 0.000 2.056 390 K HA 0.002 4.322 4.320 0.001 0.000 0.205 390 K C 0.889 177.486 176.600 -0.004 0.000 1.035 390 K CA 0.686 56.975 56.287 0.004 0.000 0.955 390 K CB 0.164 32.671 32.500 0.012 0.000 0.769 390 K HN 0.535 nan 8.250 nan 0.000 0.447 391 N N 0.877 119.568 118.700 -0.014 0.000 2.602 391 N HA -0.001 4.739 4.740 0.001 0.000 0.238 391 N C 0.310 175.785 175.510 -0.057 0.000 1.084 391 N CA -0.170 52.864 53.050 -0.026 0.000 0.952 391 N CB 0.074 38.549 38.487 -0.019 0.000 1.244 391 N HN 0.089 nan 8.380 nan 0.000 0.512 392 F N 3.805 123.598 119.950 -0.261 0.000 2.167 392 F HA -0.298 4.229 4.527 0.001 0.000 0.301 392 F C 0.475 176.026 175.800 -0.415 0.000 1.066 392 F CA 1.815 59.595 58.000 -0.366 0.000 1.285 392 F CB -0.083 38.592 39.000 -0.542 0.000 1.032 392 F HN 0.517 nan 8.300 nan 0.000 0.495 393 F N -0.359 119.527 119.950 -0.108 0.000 2.473 393 F HA 0.042 4.570 4.527 0.001 0.000 0.294 393 F C 2.350 177.954 175.800 -0.327 0.000 1.103 393 F CA 0.519 58.364 58.000 -0.258 0.000 1.442 393 F CB -0.405 38.543 39.000 -0.088 0.000 1.097 393 F HN -0.212 nan 8.300 nan 0.000 0.547 394 K N 0.543 120.892 120.400 -0.085 0.000 2.097 394 K HA -0.090 4.230 4.320 0.001 0.000 0.205 394 K C 1.876 178.340 176.600 -0.226 0.000 1.050 394 K CA 0.959 57.176 56.287 -0.117 0.000 0.938 394 K CB -0.134 32.333 32.500 -0.055 0.000 0.718 394 K HN 0.072 nan 8.250 nan 0.000 0.442 395 V N 0.939 120.673 119.914 -0.299 0.000 2.867 395 V HA -0.199 3.922 4.120 0.001 0.000 0.260 395 V C 2.075 177.775 176.094 -0.657 0.000 1.099 395 V CA 1.758 63.853 62.300 -0.342 0.000 1.122 395 V CB -0.428 31.238 31.823 -0.262 0.000 0.708 395 V HN 0.355 nan 8.190 nan 0.000 0.490 396 A N -0.291 121.931 122.820 -0.996 0.000 1.943 396 A HA 0.038 4.359 4.320 0.001 0.000 0.213 396 A C 1.990 179.093 177.584 -0.802 0.000 1.181 396 A CA 0.896 51.930 52.037 -1.671 0.000 0.653 396 A CB -0.316 17.568 19.000 -1.860 0.000 0.833 396 A HN 0.430 nan 8.150 nan 0.000 0.451 397 L N -0.434 120.511 121.223 -0.464 0.000 2.275 397 L HA -0.018 4.323 4.340 0.001 0.000 0.215 397 L C 2.315 179.089 176.870 -0.160 0.000 1.119 397 L CA 1.789 56.483 54.840 -0.244 0.000 0.790 397 L CB -0.391 41.575 42.059 -0.155 0.000 0.919 397 L HN 0.553 nan 8.230 nan 0.000 0.443 398 M N -1.064 118.435 119.600 -0.169 0.000 2.117 398 M HA -0.178 4.302 4.480 0.001 0.000 0.262 398 M C 1.825 178.119 176.300 -0.009 0.000 1.065 398 M CA 2.206 57.474 55.300 -0.054 0.000 1.114 398 M CB -0.266 32.316 32.600 -0.031 0.000 1.361 398 M HN 0.455 nan 8.290 nan 0.000 0.408 399 T N -2.332 112.205 114.554 -0.028 0.000 3.129 399 T HA 0.046 4.397 4.350 0.001 0.000 0.251 399 T C 1.479 176.206 174.700 0.044 0.000 1.117 399 T CA 0.504 62.639 62.100 0.058 0.000 1.034 399 T CB -0.318 68.664 68.868 0.190 0.000 0.968 399 T HN 0.495 nan 8.240 nan 0.000 0.526 400 K N 1.869 122.265 120.400 -0.006 0.000 2.077 400 K HA -0.166 4.155 4.320 0.001 0.000 0.213 400 K C 0.856 177.468 176.600 0.021 0.000 1.051 400 K CA 1.630 57.917 56.287 0.001 0.000 0.929 400 K CB -0.104 32.381 32.500 -0.024 0.000 0.715 400 K HN 0.264 nan 8.250 nan 0.000 0.451 401 N N 0.313 119.022 118.700 0.015 0.000 2.610 401 N HA 0.133 4.873 4.740 0.001 0.000 0.309 401 N C -0.836 174.682 175.510 0.013 0.000 1.536 401 N CA 0.048 53.106 53.050 0.015 0.000 0.954 401 N CB 0.888 39.380 38.487 0.008 0.000 1.310 401 N HN 0.223 nan 8.380 nan 0.000 0.502 402 M N 0.372 119.987 119.600 0.025 0.000 3.170 402 M HA 0.148 4.628 4.480 0.001 0.000 0.263 402 M C 0.881 177.200 176.300 0.031 0.000 1.153 402 M CA -0.129 55.184 55.300 0.021 0.000 0.949 402 M CB 0.150 32.771 32.600 0.034 0.000 1.291 402 M HN -0.061 nan 8.290 nan 0.000 0.550 403 S N -0.322 115.394 115.700 0.026 0.000 2.504 403 S HA -0.132 4.339 4.470 0.001 0.000 0.257 403 S C 1.468 176.085 174.600 0.029 0.000 0.986 403 S CA 1.325 59.542 58.200 0.028 0.000 0.965 403 S CB -0.225 62.988 63.200 0.021 0.000 0.744 403 S HN 0.563 nan 8.310 nan 0.000 0.523 404 S N -0.178 115.539 115.700 0.029 0.000 2.666 404 S HA 0.315 4.785 4.470 0.001 0.000 0.239 404 S C 0.105 174.725 174.600 0.033 0.000 1.031 404 S CA -0.536 57.682 58.200 0.030 0.000 1.015 404 S CB 0.155 63.373 63.200 0.030 0.000 0.981 404 S HN 0.294 nan 8.310 nan 0.000 0.547 405 L N 3.100 124.345 121.223 0.036 0.000 2.513 405 L HA 0.116 4.456 4.340 0.001 0.000 0.272 405 L C 0.925 177.812 176.870 0.028 0.000 1.187 405 L CA 1.202 56.065 54.840 0.037 0.000 0.895 405 L CB 0.204 42.296 42.059 0.056 0.000 1.147 405 L HN 0.158 nan 8.230 nan 0.000 0.483 406 E N 1.460 121.672 120.200 0.020 0.000 2.414 406 E HA 0.148 4.499 4.350 0.001 0.000 0.208 406 E C -0.251 176.344 176.600 -0.008 0.000 0.820 406 E CA 0.184 56.588 56.400 0.006 0.000 1.143 406 E CB 0.692 30.400 29.700 0.013 0.000 1.150 406 E HN 0.585 nan 8.360 nan 0.000 0.540 407 T N 2.100 116.654 114.554 0.000 0.000 2.809 407 T HA 0.402 4.753 4.350 0.001 0.000 0.284 407 T C -0.997 173.695 174.700 -0.015 0.000 0.992 407 T CA -0.369 61.724 62.100 -0.012 0.000 0.957 407 T CB 1.432 70.302 68.868 0.004 0.000 0.942 407 T HN -0.040 nan 8.240 nan 0.000 0.439 408 L N 3.939 125.145 121.223 -0.028 0.000 2.372 408 L HA 0.501 4.841 4.340 0.001 0.000 0.273 408 L C -1.268 175.589 176.870 -0.022 0.000 0.989 408 L CA -0.621 54.215 54.840 -0.007 0.000 0.841 408 L CB 1.516 43.590 42.059 0.025 0.000 1.225 408 L HN 0.587 nan 8.230 nan 0.000 0.414 409 D N 4.312 124.699 120.400 -0.021 0.000 2.473 409 D HA 0.248 4.888 4.640 0.001 0.000 0.226 409 D C 0.338 176.629 176.300 -0.015 0.000 1.089 409 D CA -0.288 53.695 54.000 -0.028 0.000 0.883 409 D CB 1.164 41.941 40.800 -0.038 0.000 1.029 409 D HN 0.318 nan 8.370 nan 0.000 0.517 410 V N 2.132 122.046 119.914 -0.001 0.000 2.993 410 V HA 0.295 4.416 4.120 0.001 0.000 0.377 410 V C 0.857 176.944 176.094 -0.013 0.000 1.318 410 V CA -0.469 61.836 62.300 0.008 0.000 1.312 410 V CB -0.944 30.905 31.823 0.042 0.000 1.342 410 V HN 0.429 nan 8.190 nan 0.000 0.544 411 S N 0.092 115.769 115.700 -0.038 0.000 2.634 411 S HA 0.506 4.976 4.470 0.001 0.000 0.261 411 S C 0.613 175.180 174.600 -0.054 0.000 1.271 411 S CA -0.162 57.999 58.200 -0.064 0.000 0.985 411 S CB 0.898 64.046 63.200 -0.086 0.000 0.968 411 S HN 0.709 nan 8.310 nan 0.000 0.568 412 L N 0.063 121.246 121.223 -0.066 0.000 3.858 412 L HA -0.279 4.062 4.340 0.001 0.000 0.425 412 L C 0.187 177.037 176.870 -0.034 0.000 1.177 412 L CA 0.472 55.284 54.840 -0.047 0.000 0.943 412 L CB -2.165 39.872 42.059 -0.037 0.000 1.861 412 L HN 0.696 nan 8.230 nan 0.000 0.985 413 N N -1.517 117.165 118.700 -0.030 0.000 2.694 413 N HA 0.417 5.158 4.740 0.001 0.000 0.303 413 N C 0.461 175.962 175.510 -0.015 0.000 1.364 413 N CA 0.126 53.166 53.050 -0.017 0.000 0.862 413 N CB 0.423 38.906 38.487 -0.007 0.000 1.107 413 N HN 0.028 nan 8.380 nan 0.000 0.512 414 S N -0.234 115.462 115.700 -0.007 0.000 2.668 414 S HA 0.364 4.834 4.470 0.001 0.000 0.244 414 S C -0.277 174.319 174.600 -0.007 0.000 1.140 414 S CA -0.393 57.803 58.200 -0.006 0.000 1.134 414 S CB -0.400 62.802 63.200 0.003 0.000 0.954 414 S HN 0.217 nan 8.310 nan 0.000 0.490 415 L N 3.337 124.554 121.223 -0.010 0.000 2.467 415 L HA 0.381 4.721 4.340 0.001 0.000 0.270 415 L C 0.446 177.287 176.870 -0.048 0.000 1.205 415 L CA -0.033 54.803 54.840 -0.007 0.000 0.828 415 L CB 0.313 42.394 42.059 0.036 0.000 1.101 415 L HN 0.517 nan 8.230 nan 0.000 0.479 416 N N -0.887 117.771 118.700 -0.070 0.000 2.516 416 N HA 0.055 4.796 4.740 0.001 0.000 0.268 416 N C -0.880 174.493 175.510 -0.227 0.000 1.096 416 N CA -0.618 52.345 53.050 -0.145 0.000 0.954 416 N CB 1.612 40.081 38.487 -0.031 0.000 1.676 416 N HN 0.461 nan 8.380 nan 0.000 0.490 417 S N -0.070 115.380 115.700 -0.415 0.000 2.618 417 S HA 0.110 4.581 4.470 0.001 0.000 0.242 417 S C 0.172 174.684 174.600 -0.147 0.000 0.972 417 S CA -0.291 57.639 58.200 -0.451 0.000 1.004 417 S CB -0.927 61.888 63.200 -0.641 0.000 0.778 417 S HN 0.669 nan 8.310 nan 0.000 0.459 418 H N 1.464 120.536 119.070 0.003 0.000 2.533 418 H HA 0.476 5.032 4.556 0.001 0.000 0.271 418 H C 1.204 176.546 175.328 0.023 0.000 1.000 418 H CA 0.012 56.082 56.048 0.036 0.000 1.149 418 H CB 0.009 29.773 29.762 0.004 0.000 1.375 418 H HN 0.610 nan 8.280 nan 0.000 0.582 419 A N 0.842 123.744 122.820 0.137 0.000 2.584 419 A HA -0.129 4.191 4.320 0.001 0.000 0.239 419 A C 0.834 178.323 177.584 -0.158 0.000 1.043 419 A CA -0.078 51.866 52.037 -0.154 0.000 0.756 419 A CB -0.195 18.877 19.000 0.120 0.000 0.963 419 A HN 0.599 nan 8.150 nan 0.000 0.511 420 Y N 1.239 121.606 120.300 0.112 0.000 2.081 420 Y HA -0.136 4.414 4.550 0.000 0.000 0.280 420 Y C 1.134 177.032 175.900 -0.004 0.000 1.163 420 Y CA 0.888 59.018 58.100 0.049 0.000 1.135 420 Y CB -0.608 37.871 38.460 0.033 0.000 0.970 420 Y HN 0.544 nan 8.280 nan 0.000 0.498 421 D N 1.307 121.857 120.400 0.251 0.000 2.441 421 D HA 0.128 4.769 4.640 0.001 0.000 0.221 421 D C -0.264 175.898 176.300 -0.229 0.000 1.156 421 D CA -0.281 53.765 54.000 0.076 0.000 0.896 421 D CB 0.284 41.203 40.800 0.198 0.000 1.028 421 D HN 0.370 nan 8.370 nan 0.000 0.509 422 R N 2.497 122.753 120.500 -0.407 0.000 3.351 422 R HA 0.146 4.486 4.340 0.001 0.000 0.296 422 R C 0.081 175.888 176.300 -0.820 0.000 1.427 422 R CA -0.282 55.185 56.100 -1.055 0.000 1.257 422 R CB 0.318 30.162 30.300 -0.761 0.000 1.378 422 R HN 0.208 nan 8.270 nan 0.000 0.610 423 T N 0.616 114.881 114.554 -0.482 0.000 2.832 423 T HA 0.066 4.417 4.350 0.001 0.000 0.296 423 T C 0.002 174.586 174.700 -0.193 0.000 0.968 423 T CA -0.035 61.913 62.100 -0.254 0.000 1.107 423 T CB 1.145 69.930 68.868 -0.139 0.000 0.916 423 T HN 0.273 nan 8.240 nan 0.000 0.517 424 c N 3.383 121.925 118.600 -0.098 0.000 2.350 424 c HA 0.741 5.311 4.570 0.001 0.000 0.348 424 c C 0.770 174.830 174.090 -0.050 0.000 1.260 424 c CA -0.219 56.095 56.329 -0.024 0.000 1.966 424 c CB -0.449 42.122 42.510 0.101 0.000 2.380 424 c HN 0.994 nan 8.230 nan 0.000 0.535 425 A N 4.385 127.131 122.820 -0.123 0.000 3.019 425 A HA 0.310 4.630 4.320 0.001 0.000 0.202 425 A C -0.592 176.947 177.584 -0.075 0.000 0.924 425 A CA -0.459 51.529 52.037 -0.083 0.000 1.156 425 A CB -0.540 18.397 19.000 -0.105 0.000 1.265 425 A HN 0.903 nan 8.150 nan 0.000 0.526 426 W N 0.313 121.614 121.300 0.002 0.000 2.148 426 W HA 0.415 5.075 4.660 0.001 0.000 0.347 426 W C 0.971 177.488 176.519 -0.004 0.000 1.288 426 W CA 0.477 57.815 57.345 -0.012 0.000 1.252 426 W CB 0.841 30.298 29.460 -0.005 0.000 1.156 426 W HN 0.588 nan 8.180 nan 0.000 0.580 427 A N 2.462 125.512 122.820 0.383 0.000 2.451 427 A HA 0.092 4.413 4.320 0.001 0.000 0.266 427 A C 0.725 178.406 177.584 0.162 0.000 1.119 427 A CA -0.384 51.778 52.037 0.207 0.000 0.786 427 A CB 0.251 19.356 19.000 0.175 0.000 1.061 427 A HN 0.738 nan 8.150 nan 0.000 0.503 428 E N 1.578 121.846 120.200 0.113 0.000 2.510 428 E HA -0.110 4.241 4.350 0.001 0.000 0.202 428 E C 1.557 178.187 176.600 0.051 0.000 1.072 428 E CA 1.422 57.871 56.400 0.082 0.000 0.883 428 E CB -0.133 29.607 29.700 0.067 0.000 0.818 428 E HN 0.752 nan 8.360 nan 0.000 0.548 429 S N -0.564 115.166 115.700 0.049 0.000 2.523 429 S HA 0.141 4.612 4.470 0.001 0.000 0.217 429 S C 0.718 175.322 174.600 0.008 0.000 0.996 429 S CA -0.531 57.686 58.200 0.029 0.000 0.921 429 S CB 0.182 63.402 63.200 0.034 0.000 0.829 429 S HN -0.004 nan 8.310 nan 0.000 0.495 430 I N 2.870 123.435 120.570 -0.010 0.000 2.683 430 I HA 0.127 4.298 4.170 0.001 0.000 0.286 430 I C 1.112 177.186 176.117 -0.071 0.000 1.175 430 I CA 0.114 61.379 61.300 -0.059 0.000 1.429 430 I CB -0.235 37.672 38.000 -0.155 0.000 1.371 430 I HN 0.296 nan 8.210 nan 0.000 0.569 431 L N 5.729 126.918 121.223 -0.056 0.000 2.624 431 L HA 0.244 4.585 4.340 0.001 0.000 0.222 431 L C 0.154 176.990 176.870 -0.057 0.000 1.046 431 L CA 0.401 55.214 54.840 -0.045 0.000 0.872 431 L CB 0.243 42.290 42.059 -0.020 0.000 1.190 431 L HN 0.312 nan 8.230 nan 0.000 0.487 432 V N 1.992 121.870 119.914 -0.061 0.000 2.444 432 V HA 0.419 4.540 4.120 0.001 0.000 0.294 432 V C -0.994 175.045 176.094 -0.091 0.000 1.022 432 V CA -0.415 61.847 62.300 -0.063 0.000 0.850 432 V CB 2.440 34.239 31.823 -0.040 0.000 0.992 432 V HN 0.028 nan 8.190 nan 0.000 0.426 433 L N 4.915 126.072 121.223 -0.111 0.000 2.485 433 L HA 0.517 4.858 4.340 0.001 0.000 0.260 433 L C -0.357 176.451 176.870 -0.104 0.000 0.998 433 L CA -0.057 54.698 54.840 -0.143 0.000 0.883 433 L CB 1.329 43.232 42.059 -0.260 0.000 1.196 433 L HN 0.639 nan 8.230 nan 0.000 0.443 434 N N 5.017 123.671 118.700 -0.077 0.000 2.401 434 N HA 0.208 4.949 4.740 0.001 0.000 0.255 434 N C 0.083 175.551 175.510 -0.071 0.000 1.110 434 N CA 0.042 53.047 53.050 -0.076 0.000 0.949 434 N CB 0.864 39.312 38.487 -0.065 0.000 1.110 434 N HN 0.771 nan 8.380 nan 0.000 0.490 435 L N 1.972 123.141 121.223 -0.089 0.000 2.857 435 L HA 0.121 4.462 4.340 0.001 0.000 0.249 435 L C 0.890 177.675 176.870 -0.142 0.000 1.172 435 L CA -0.205 54.594 54.840 -0.069 0.000 0.980 435 L CB 0.110 42.142 42.059 -0.045 0.000 1.299 435 L HN 0.429 nan 8.230 nan 0.000 0.535 436 S N -0.874 114.694 115.700 -0.220 0.000 2.549 436 S HA 0.219 4.689 4.470 0.001 0.000 0.279 436 S C 0.732 175.127 174.600 -0.341 0.000 1.321 436 S CA -0.071 57.875 58.200 -0.423 0.000 1.054 436 S CB 1.070 63.803 63.200 -0.778 0.000 0.899 436 S HN 0.268 nan 8.310 nan 0.000 0.497 437 S N 2.381 117.888 115.700 -0.323 0.000 3.990 437 S HA -0.123 4.347 4.470 0.001 0.000 0.346 437 S C -0.317 174.218 174.600 -0.108 0.000 1.030 437 S CA 0.857 58.951 58.200 -0.177 0.000 1.011 437 S CB -2.212 60.904 63.200 -0.139 0.000 0.863 437 S HN 0.970 nan 8.310 nan 0.000 0.485 438 N N 0.285 118.922 118.700 -0.105 0.000 3.470 438 N HA 0.689 5.430 4.740 0.001 0.000 0.361 438 N C 0.526 175.994 175.510 -0.070 0.000 1.536 438 N CA -0.855 52.151 53.050 -0.073 0.000 0.642 438 N CB 0.199 38.647 38.487 -0.065 0.000 2.002 438 N HN 0.206 nan 8.380 nan 0.000 0.620 439 M N 0.656 120.214 119.600 -0.070 0.000 2.705 439 M HA 0.349 4.829 4.480 0.001 0.000 0.387 439 M C -0.956 175.277 176.300 -0.111 0.000 1.204 439 M CA -0.160 55.103 55.300 -0.062 0.000 0.905 439 M CB 0.239 32.825 32.600 -0.023 0.000 1.394 439 M HN 0.166 nan 8.290 nan 0.000 0.515 440 L N 1.464 122.588 121.223 -0.166 0.000 2.540 440 L HA 0.038 4.378 4.340 0.001 0.000 0.276 440 L C 1.260 177.983 176.870 -0.244 0.000 1.212 440 L CA 0.364 55.039 54.840 -0.276 0.000 0.893 440 L CB 0.290 42.144 42.059 -0.343 0.000 1.138 440 L HN 0.345 nan 8.230 nan 0.000 0.491 441 T N -0.012 114.351 114.554 -0.318 0.000 2.924 441 T HA 0.298 4.648 4.350 0.001 0.000 0.301 441 T C 1.227 175.824 174.700 -0.172 0.000 1.120 441 T CA 0.028 61.989 62.100 -0.231 0.000 0.940 441 T CB 1.238 69.907 68.868 -0.332 0.000 1.591 441 T HN 0.619 nan 8.240 nan 0.000 0.578 442 G N 0.108 108.874 108.800 -0.057 0.000 2.551 442 G HA2 -0.037 3.923 3.960 0.001 0.000 0.216 442 G HA3 -0.037 3.923 3.960 0.001 0.000 0.216 442 G C 1.734 176.713 174.900 0.130 0.000 1.137 442 G CA 0.785 45.946 45.100 0.101 0.000 0.798 442 G HN 0.952 nan 8.290 nan 0.000 0.536 443 S N 0.389 116.093 115.700 0.005 0.000 2.493 443 S HA -0.106 4.364 4.470 0.001 0.000 0.243 443 S C 2.072 176.677 174.600 0.009 0.000 0.991 443 S CA 0.896 59.129 58.200 0.055 0.000 0.957 443 S CB -0.264 62.975 63.200 0.064 0.000 0.756 443 S HN 0.118 nan 8.310 nan 0.000 0.521 444 V N 0.485 120.258 119.914 -0.235 0.000 2.828 444 V HA -0.080 4.040 4.120 0.001 0.000 0.260 444 V C 1.364 177.242 176.094 -0.360 0.000 1.101 444 V CA 1.515 63.472 62.300 -0.573 0.000 1.123 444 V CB -0.876 30.450 31.823 -0.827 0.000 0.704 444 V HN 0.633 nan 8.190 nan 0.000 0.493 445 F N -0.500 119.431 119.950 -0.032 0.000 2.776 445 F HA 0.228 4.755 4.527 0.001 0.000 0.300 445 F C 2.283 178.140 175.800 0.095 0.000 1.116 445 F CA 0.278 58.298 58.000 0.033 0.000 1.375 445 F CB -0.204 38.796 39.000 0.001 0.000 1.109 445 F HN -0.011 nan 8.300 nan 0.000 0.585 446 R N -0.951 119.705 120.500 0.259 0.000 2.189 446 R HA -0.008 4.333 4.340 0.001 0.000 0.218 446 R C -0.014 176.446 176.300 0.268 0.000 1.074 446 R CA 0.651 56.886 56.100 0.225 0.000 0.991 446 R CB -0.110 30.309 30.300 0.198 0.000 0.883 446 R HN 0.203 nan 8.270 nan 0.000 0.457 447 c N 1.137 119.960 118.600 0.371 0.000 2.949 447 c HA 0.494 5.065 4.570 0.001 0.000 0.306 447 c C -1.319 173.127 174.090 0.593 0.000 1.045 447 c CA -0.732 55.913 56.329 0.525 0.000 1.414 447 c CB -0.666 42.309 42.510 0.776 0.000 1.854 447 c HN 0.188 nan 8.230 nan 0.000 0.487 448 L N 5.297 126.727 121.223 0.346 0.000 2.445 448 L HA 0.548 4.889 4.340 0.001 0.000 0.262 448 L C -2.294 174.521 176.870 -0.093 0.000 0.974 448 L CA -1.773 53.079 54.840 0.021 0.000 0.822 448 L CB 2.445 44.493 42.059 -0.018 0.000 1.339 448 L HN 0.264 nan 8.230 nan 0.000 0.409 449 P HA -0.018 nan 4.420 nan 0.000 0.260 449 P C -2.053 175.211 177.300 -0.060 0.000 1.172 449 P CA -0.583 62.373 63.100 -0.239 0.000 0.760 449 P CB 0.134 31.585 31.700 -0.414 0.000 0.773 450 P HA -0.219 nan 4.420 nan 0.000 0.216 450 P C 0.603 177.917 177.300 0.024 0.000 1.167 450 P CA 1.947 65.075 63.100 0.046 0.000 0.914 450 P CB -0.047 31.689 31.700 0.060 0.000 0.793 451 K N -0.445 119.960 120.400 0.009 0.000 2.827 451 K HA 0.193 4.513 4.320 0.001 0.000 0.222 451 K C -0.248 176.346 176.600 -0.010 0.000 1.114 451 K CA -0.276 56.016 56.287 0.009 0.000 1.206 451 K CB -0.368 32.141 32.500 0.014 0.000 1.035 451 K HN 0.057 nan 8.250 nan 0.000 0.464 452 V N 1.360 121.257 119.914 -0.029 0.000 2.872 452 V HA -0.021 4.099 4.120 0.001 0.000 0.307 452 V C 1.325 177.413 176.094 -0.010 0.000 1.072 452 V CA 0.307 62.579 62.300 -0.047 0.000 1.148 452 V CB 0.535 32.312 31.823 -0.078 0.000 0.954 452 V HN 0.258 nan 8.190 nan 0.000 0.490 453 K N 1.379 121.771 120.400 -0.012 0.000 2.474 453 K HA 0.338 4.658 4.320 0.001 0.000 0.204 453 K C -0.420 176.190 176.600 0.017 0.000 1.220 453 K CA 0.359 56.652 56.287 0.010 0.000 0.966 453 K CB 1.276 33.778 32.500 0.003 0.000 1.049 453 K HN 0.492 nan 8.250 nan 0.000 0.554 454 V N 2.133 122.045 119.914 -0.004 0.000 2.686 454 V HA 0.416 4.537 4.120 0.001 0.000 0.306 454 V C -1.384 174.702 176.094 -0.013 0.000 1.065 454 V CA -0.952 61.351 62.300 0.005 0.000 0.894 454 V CB 2.383 34.194 31.823 -0.019 0.000 1.004 454 V HN 0.001 nan 8.190 nan 0.000 0.424 455 L N 3.562 124.797 121.223 0.019 0.000 2.492 455 L HA 0.553 4.893 4.340 0.001 0.000 0.258 455 L C -0.671 176.202 176.870 0.005 0.000 1.028 455 L CA 0.059 54.893 54.840 -0.009 0.000 0.900 455 L CB 1.279 43.343 42.059 0.009 0.000 1.191 455 L HN 0.698 nan 8.230 nan 0.000 0.459 456 D N 4.364 124.741 120.400 -0.038 0.000 2.422 456 D HA 0.181 4.822 4.640 0.001 0.000 0.227 456 D C 0.423 176.675 176.300 -0.081 0.000 1.190 456 D CA 0.120 54.095 54.000 -0.041 0.000 0.905 456 D CB 0.823 41.589 40.800 -0.057 0.000 1.034 456 D HN 0.568 nan 8.370 nan 0.000 0.507 457 L N 4.442 125.640 121.223 -0.042 0.000 2.818 457 L HA 0.081 4.422 4.340 0.001 0.000 0.243 457 L C 1.135 177.961 176.870 -0.074 0.000 1.185 457 L CA -0.486 54.301 54.840 -0.089 0.000 0.988 457 L CB -0.055 41.962 42.059 -0.070 0.000 1.292 457 L HN 0.490 nan 8.230 nan 0.000 0.519 458 H N -1.324 117.707 119.070 -0.065 0.000 2.757 458 H HA -0.013 4.543 4.556 0.001 0.000 0.370 458 H C 0.211 175.503 175.328 -0.059 0.000 1.172 458 H CA 0.083 56.091 56.048 -0.067 0.000 1.426 458 H CB 0.593 30.294 29.762 -0.101 0.000 1.438 458 H HN 0.104 nan 8.280 nan 0.000 0.612 459 N N 1.151 119.899 118.700 0.079 0.000 2.754 459 N HA -0.210 4.531 4.740 0.001 0.000 0.248 459 N C -1.301 174.171 175.510 -0.063 0.000 1.093 459 N CA 1.156 54.218 53.050 0.021 0.000 0.699 459 N CB -1.496 37.017 38.487 0.043 0.000 1.016 459 N HN 0.832 nan 8.380 nan 0.000 0.552 460 N N -0.429 118.235 118.700 -0.060 0.000 3.178 460 N HA 0.509 5.250 4.740 0.001 0.000 0.352 460 N C -0.124 175.353 175.510 -0.055 0.000 1.423 460 N CA -0.640 52.366 53.050 -0.074 0.000 0.698 460 N CB 0.632 39.055 38.487 -0.106 0.000 1.400 460 N HN 0.079 nan 8.380 nan 0.000 0.586 461 R N 0.576 121.038 120.500 -0.063 0.000 2.772 461 R HA 0.387 4.727 4.340 0.001 0.000 0.358 461 R C -1.034 175.238 176.300 -0.046 0.000 1.143 461 R CA -0.144 55.928 56.100 -0.048 0.000 1.153 461 R CB -0.051 30.229 30.300 -0.033 0.000 1.329 461 R HN 0.433 nan 8.270 nan 0.000 0.615 462 I N 1.607 122.153 120.570 -0.040 0.000 2.304 462 I HA 0.212 4.382 4.170 0.001 0.000 0.291 462 I C 1.067 177.164 176.117 -0.034 0.000 1.018 462 I CA -0.106 61.185 61.300 -0.014 0.000 1.260 462 I CB 1.298 39.331 38.000 0.054 0.000 1.390 462 I HN 0.156 nan 8.210 nan 0.000 0.475 463 M N 2.024 121.608 119.600 -0.027 0.000 2.971 463 M HA 0.104 4.585 4.480 0.001 0.000 0.238 463 M C 0.924 177.216 176.300 -0.014 0.000 1.582 463 M CA 0.052 55.329 55.300 -0.038 0.000 1.223 463 M CB -0.063 32.517 32.600 -0.034 0.000 1.238 463 M HN 0.413 nan 8.290 nan 0.000 0.568 464 S N 3.665 119.367 115.700 0.003 0.000 2.965 464 S HA 0.144 4.615 4.470 0.001 0.000 0.322 464 S C -0.002 174.607 174.600 0.016 0.000 1.010 464 S CA 0.366 58.575 58.200 0.014 0.000 1.797 464 S CB -1.452 61.766 63.200 0.029 0.000 1.410 464 S HN 0.221 nan 8.310 nan 0.000 0.640 465 I N 4.042 124.598 120.570 -0.023 0.000 2.359 465 I HA 0.364 4.535 4.170 0.001 0.000 0.294 465 I C -1.952 174.119 176.117 -0.076 0.000 0.987 465 I CA -2.169 59.078 61.300 -0.089 0.000 1.225 465 I CB 1.297 39.182 38.000 -0.192 0.000 1.366 465 I HN 0.330 nan 8.210 nan 0.000 0.466 466 P HA 0.299 nan 4.420 nan 0.000 0.287 466 P C -0.672 176.595 177.300 -0.056 0.000 1.296 466 P CA -0.717 62.371 63.100 -0.021 0.000 0.811 466 P CB 0.617 32.349 31.700 0.053 0.000 1.211 467 K N 0.033 120.432 120.400 -0.002 0.000 2.862 467 K HA 0.186 4.507 4.320 0.001 0.000 0.229 467 K C -0.626 176.055 176.600 0.135 0.000 1.107 467 K CA 0.264 56.559 56.287 0.014 0.000 1.222 467 K CB -0.562 31.956 32.500 0.030 0.000 1.067 467 K HN 0.152 nan 8.250 nan 0.000 0.464 468 D N 0.516 120.998 120.400 0.136 0.000 2.479 468 D HA 0.048 4.688 4.640 0.001 0.000 0.218 468 D C 1.029 177.452 176.300 0.205 0.000 1.177 468 D CA 0.025 54.215 54.000 0.316 0.000 0.830 468 D CB 0.800 41.730 40.800 0.216 0.000 1.014 468 D HN -0.021 nan 8.370 nan 0.000 0.503 469 V N 0.605 120.520 119.914 0.002 0.000 3.510 469 V HA -0.035 4.086 4.120 0.001 0.000 0.270 469 V C 2.009 178.051 176.094 -0.087 0.000 1.201 469 V CA 1.565 63.815 62.300 -0.084 0.000 1.166 469 V CB -0.712 30.895 31.823 -0.360 0.000 0.825 469 V HN 0.243 nan 8.190 nan 0.000 0.484 470 T N -4.110 110.366 114.554 -0.130 0.000 3.040 470 T HA 0.132 4.483 4.350 0.001 0.000 0.266 470 T C 0.961 175.526 174.700 -0.224 0.000 1.005 470 T CA -0.013 61.973 62.100 -0.189 0.000 0.906 470 T CB -0.322 68.395 68.868 -0.251 0.000 1.082 470 T HN 0.523 nan 8.240 nan 0.000 0.531 471 H N 1.033 120.116 119.070 0.022 0.000 2.538 471 H HA 0.526 5.082 4.556 0.001 0.000 0.286 471 H C -0.150 175.208 175.328 0.049 0.000 1.035 471 H CA 0.039 56.109 56.048 0.037 0.000 1.169 471 H CB -0.103 29.684 29.762 0.042 0.000 1.417 471 H HN 0.252 nan 8.280 nan 0.000 0.567 472 L N 1.469 122.761 121.223 0.114 0.000 2.457 472 L HA 0.242 4.582 4.340 0.001 0.000 0.259 472 L C -0.818 176.093 176.870 0.067 0.000 1.377 472 L CA -0.276 54.624 54.840 0.099 0.000 0.887 472 L CB 1.072 43.204 42.059 0.122 0.000 1.085 472 L HN 0.135 nan 8.230 nan 0.000 0.509 473 Q N 1.852 121.684 119.800 0.054 0.000 2.730 473 Q HA 0.667 5.007 4.340 0.001 0.000 0.244 473 Q C 0.597 176.627 176.000 0.050 0.000 1.176 473 Q CA -0.099 55.732 55.803 0.046 0.000 1.024 473 Q CB 1.695 30.453 28.738 0.033 0.000 1.215 473 Q HN 0.594 nan 8.270 nan 0.000 0.542 474 A N 1.256 124.109 122.820 0.056 0.000 2.577 474 A HA 0.170 4.491 4.320 0.001 0.000 0.195 474 A C -0.191 177.428 177.584 0.058 0.000 1.407 474 A CA -0.394 51.674 52.037 0.052 0.000 1.056 474 A CB 0.255 19.279 19.000 0.040 0.000 1.165 474 A HN 0.489 nan 8.150 nan 0.000 0.472 475 L N 0.563 121.830 121.223 0.073 0.000 2.492 475 L HA 0.168 4.509 4.340 0.001 0.000 0.280 475 L C 1.544 178.479 176.870 0.108 0.000 1.240 475 L CA 1.018 55.911 54.840 0.089 0.000 0.831 475 L CB 0.258 42.387 42.059 0.117 0.000 1.100 475 L HN 0.454 nan 8.230 nan 0.000 0.505 476 Q N -0.317 119.553 119.800 0.117 0.000 2.445 476 Q HA 0.258 4.599 4.340 0.001 0.000 0.257 476 Q C -0.423 175.705 176.000 0.213 0.000 0.806 476 Q CA -0.023 55.866 55.803 0.143 0.000 0.987 476 Q CB 1.134 29.922 28.738 0.083 0.000 1.248 476 Q HN 0.634 nan 8.270 nan 0.000 0.542 477 E N 0.909 121.218 120.200 0.181 0.000 2.227 477 E HA 0.587 4.938 4.350 0.001 0.000 0.268 477 E C -1.566 175.222 176.600 0.314 0.000 0.907 477 E CA -0.722 55.858 56.400 0.300 0.000 0.786 477 E CB 2.483 32.297 29.700 0.189 0.000 1.191 477 E HN -0.140 nan 8.360 nan 0.000 0.411 478 L N 2.518 124.022 121.223 0.468 0.000 2.513 478 L HA 0.438 4.778 4.340 0.001 0.000 0.261 478 L C -1.965 175.234 176.870 0.548 0.000 0.945 478 L CA -0.436 54.643 54.840 0.399 0.000 0.848 478 L CB 2.069 44.344 42.059 0.359 0.000 1.334 478 L HN 0.453 nan 8.230 nan 0.000 0.407 479 N N 3.258 122.169 118.700 0.352 0.000 2.609 479 N HA 0.345 5.086 4.740 0.001 0.000 0.268 479 N C -0.362 175.290 175.510 0.237 0.000 1.106 479 N CA -0.142 53.100 53.050 0.320 0.000 0.823 479 N CB 1.483 39.975 38.487 0.009 0.000 1.263 479 N HN 0.456 nan 8.380 nan 0.000 0.533 480 V N 1.016 121.094 119.914 0.275 0.000 3.177 480 V HA 0.602 4.723 4.120 0.001 0.000 0.342 480 V C 1.199 177.375 176.094 0.136 0.000 1.379 480 V CA -0.308 62.122 62.300 0.216 0.000 1.191 480 V CB -0.515 31.476 31.823 0.280 0.000 1.167 480 V HN 0.525 nan 8.190 nan 0.000 0.471 481 A N -0.007 122.863 122.820 0.083 0.000 2.339 481 A HA 0.371 4.692 4.320 0.001 0.000 0.272 481 A C 1.346 178.887 177.584 -0.072 0.000 1.182 481 A CA 0.723 52.674 52.037 -0.143 0.000 0.819 481 A CB -0.681 18.008 19.000 -0.519 0.000 1.115 481 A HN 1.091 nan 8.150 nan 0.000 0.512 482 S N 0.353 115.986 115.700 -0.112 0.000 3.237 482 S HA -0.189 4.281 4.470 0.001 0.000 0.329 482 S C 0.289 174.878 174.600 -0.019 0.000 0.881 482 S CA 1.282 59.474 58.200 -0.013 0.000 1.297 482 S CB -1.444 61.791 63.200 0.059 0.000 0.866 482 S HN 0.752 nan 8.310 nan 0.000 0.473 483 N N 0.436 119.097 118.700 -0.065 0.000 3.223 483 N HA 0.476 5.217 4.740 0.001 0.000 0.350 483 N C 0.582 176.017 175.510 -0.126 0.000 1.425 483 N CA -0.718 52.284 53.050 -0.081 0.000 0.668 483 N CB 0.446 38.890 38.487 -0.072 0.000 1.435 483 N HN 0.246 nan 8.380 nan 0.000 0.569 484 Q N -0.004 119.708 119.800 -0.147 0.000 2.110 484 Q HA 0.365 4.705 4.340 0.001 0.000 0.232 484 Q C -0.864 175.001 176.000 -0.225 0.000 0.810 484 Q CA -0.103 55.605 55.803 -0.157 0.000 1.083 484 Q CB 0.717 29.401 28.738 -0.089 0.000 1.193 484 Q HN 0.313 nan 8.270 nan 0.000 0.471 485 L N 1.295 122.297 121.223 -0.368 0.000 2.360 485 L HA 0.106 4.446 4.340 0.001 0.000 0.276 485 L C 1.164 177.658 176.870 -0.626 0.000 1.121 485 L CA 0.339 54.895 54.840 -0.473 0.000 0.845 485 L CB 0.703 42.398 42.059 -0.608 0.000 1.143 485 L HN 0.120 nan 8.230 nan 0.000 0.452 486 K N 1.070 121.318 120.400 -0.253 0.000 2.225 486 K HA 0.204 4.525 4.320 0.001 0.000 0.204 486 K C 0.333 177.094 176.600 0.268 0.000 1.047 486 K CA 0.295 56.548 56.287 -0.056 0.000 0.970 486 K CB 0.593 33.093 32.500 0.001 0.000 0.939 486 K HN 0.512 nan 8.250 nan 0.000 0.472 487 S N -0.040 115.814 115.700 0.256 0.000 2.697 487 S HA 0.466 4.937 4.470 0.001 0.000 0.289 487 S C -1.491 173.312 174.600 0.339 0.000 1.149 487 S CA -0.865 57.570 58.200 0.392 0.000 0.850 487 S CB 2.216 65.552 63.200 0.227 0.000 1.151 487 S HN 0.067 nan 8.310 nan 0.000 0.491 488 V N 0.475 120.571 119.914 0.302 0.000 2.483 488 V HA 0.606 4.726 4.120 0.001 0.000 0.297 488 V C -2.975 173.148 176.094 0.048 0.000 1.027 488 V CA -2.570 59.846 62.300 0.193 0.000 0.855 488 V CB 0.567 32.579 31.823 0.316 0.000 0.995 488 V HN 0.610 nan 8.190 nan 0.000 0.424 489 P HA 0.026 nan 4.420 nan 0.000 0.263 489 P C -0.385 176.741 177.300 -0.289 0.000 1.168 489 P CA 0.514 63.532 63.100 -0.137 0.000 0.759 489 P CB 0.257 31.868 31.700 -0.149 0.000 0.782 490 D N 2.488 122.673 120.400 -0.359 0.000 2.382 490 D HA 0.280 4.921 4.640 0.001 0.000 0.259 490 D C 1.412 177.297 176.300 -0.692 0.000 1.224 490 D CA 1.154 54.706 54.000 -0.745 0.000 0.894 490 D CB 0.146 40.697 40.800 -0.414 0.000 1.127 490 D HN 0.664 nan 8.370 nan 0.000 0.487 491 G N 1.200 109.399 108.800 -1.001 0.000 2.151 491 G HA2 -0.225 3.735 3.960 0.001 0.000 0.156 491 G HA3 -0.225 3.735 3.960 0.001 0.000 0.156 491 G C 0.770 175.557 174.900 -0.189 0.000 1.017 491 G CA 0.145 45.030 45.100 -0.357 0.000 0.686 491 G HN 0.446 nan 8.290 nan 0.000 0.503 492 V N -2.843 116.940 119.914 -0.219 0.000 2.465 492 V HA 0.384 4.505 4.120 0.001 0.000 0.230 492 V C 2.167 178.132 176.094 -0.215 0.000 1.084 492 V CA 1.492 63.603 62.300 -0.317 0.000 1.092 492 V CB -1.250 30.189 31.823 -0.640 0.000 0.730 492 V HN 0.208 nan 8.190 nan 0.000 0.491 493 F N 2.176 122.067 119.950 -0.098 0.000 2.500 493 F HA -0.142 4.386 4.527 0.001 0.000 0.294 493 F C 1.940 177.885 175.800 0.242 0.000 1.101 493 F CA 1.410 59.316 58.000 -0.157 0.000 1.484 493 F CB -1.069 37.285 39.000 -1.077 0.000 1.110 493 F HN 0.254 nan 8.300 nan 0.000 0.603 494 D N 0.064 120.697 120.400 0.389 0.000 2.091 494 D HA -0.106 4.534 4.640 0.001 0.000 0.199 494 D C 2.211 178.637 176.300 0.210 0.000 0.980 494 D CA 0.945 55.164 54.000 0.365 0.000 0.831 494 D CB -0.341 40.629 40.800 0.284 0.000 0.987 494 D HN 0.118 nan 8.370 nan 0.000 0.460 495 R N 0.259 120.824 120.500 0.108 0.000 2.276 495 R HA 0.163 4.503 4.340 0.001 0.000 0.203 495 R C 1.028 177.366 176.300 0.063 0.000 1.017 495 R CA 0.057 56.189 56.100 0.054 0.000 1.010 495 R CB -0.228 30.062 30.300 -0.017 0.000 0.900 495 R HN 0.126 nan 8.270 nan 0.000 0.469 496 L N 2.015 123.295 121.223 0.095 0.000 2.974 496 L HA 0.006 4.347 4.340 0.001 0.000 0.250 496 L C 1.076 178.025 176.870 0.132 0.000 1.376 496 L CA 0.384 55.292 54.840 0.113 0.000 1.170 496 L CB -0.960 41.189 42.059 0.150 0.000 1.577 496 L HN 0.346 nan 8.230 nan 0.000 0.429 497 T N -5.108 109.506 114.554 0.101 0.000 2.848 497 T HA -0.226 4.124 4.350 0.001 0.000 0.269 497 T C 1.778 176.521 174.700 0.072 0.000 1.081 497 T CA 1.673 63.823 62.100 0.083 0.000 1.125 497 T CB 0.004 68.910 68.868 0.065 0.000 0.848 497 T HN 0.326 nan 8.240 nan 0.000 0.503 498 S N -0.299 115.450 115.700 0.082 0.000 2.535 498 S HA 0.348 4.818 4.470 0.001 0.000 0.214 498 S C 0.524 175.187 174.600 0.105 0.000 0.980 498 S CA -0.675 57.573 58.200 0.080 0.000 0.907 498 S CB -0.494 62.749 63.200 0.071 0.000 0.790 498 S HN 0.461 nan 8.310 nan 0.000 0.510 499 L N 2.350 123.651 121.223 0.130 0.000 2.543 499 L HA 0.067 4.407 4.340 0.001 0.000 0.285 499 L C 0.629 177.590 176.870 0.152 0.000 1.236 499 L CA 1.520 56.465 54.840 0.175 0.000 0.871 499 L CB 0.351 42.550 42.059 0.235 0.000 1.121 499 L HN 0.281 nan 8.230 nan 0.000 0.501 500 Q N 2.542 122.474 119.800 0.221 0.000 1.891 500 Q HA 0.182 4.523 4.340 0.001 0.000 0.206 500 Q C -1.234 174.846 176.000 0.134 0.000 0.710 500 Q CA -0.137 55.783 55.803 0.195 0.000 0.840 500 Q CB 0.903 29.836 28.738 0.326 0.000 1.211 500 Q HN 0.554 nan 8.270 nan 0.000 0.424 501 Y N 0.525 120.854 120.300 0.048 0.000 2.477 501 Y HA 0.673 5.224 4.550 0.001 0.000 0.347 501 Y C -0.860 175.070 175.900 0.050 0.000 0.981 501 Y CA -1.336 56.742 58.100 -0.038 0.000 1.033 501 Y CB 2.132 40.648 38.460 0.092 0.000 1.245 501 Y HN -0.007 nan 8.280 nan 0.000 0.455 502 I N 2.338 122.890 120.570 -0.029 0.000 2.702 502 I HA 0.278 4.448 4.170 0.001 0.000 0.287 502 I C -2.125 174.010 176.117 0.031 0.000 1.342 502 I CA -0.501 60.900 61.300 0.168 0.000 1.063 502 I CB 1.187 39.273 38.000 0.144 0.000 1.331 502 I HN 0.642 nan 8.210 nan 0.000 0.427 503 W N 8.462 129.865 121.300 0.171 0.000 2.288 503 W HA 0.353 5.013 4.660 0.001 0.000 0.325 503 W C 0.120 176.711 176.519 0.120 0.000 1.019 503 W CA -0.477 56.970 57.345 0.170 0.000 1.403 503 W CB 1.589 31.141 29.460 0.154 0.000 1.226 503 W HN 0.535 nan 8.180 nan 0.000 0.391 504 L N 3.106 124.496 121.223 0.279 0.000 2.590 504 L HA -0.036 4.304 4.340 0.001 0.000 0.227 504 L C 1.890 178.979 176.870 0.365 0.000 1.099 504 L CA -0.036 54.990 54.840 0.310 0.000 0.872 504 L CB -0.330 41.824 42.059 0.159 0.000 1.088 504 L HN 0.367 nan 8.230 nan 0.000 0.479 505 H N -0.385 118.863 119.070 0.298 0.000 2.765 505 H HA -0.104 4.452 4.556 0.001 0.000 0.385 505 H C -0.369 175.097 175.328 0.230 0.000 1.562 505 H CA 0.350 56.551 56.048 0.256 0.000 1.473 505 H CB -0.098 29.776 29.762 0.187 0.000 1.536 505 H HN 0.055 nan 8.280 nan 0.000 0.610 506 D N -0.722 119.863 120.400 0.307 0.000 2.702 506 D HA -0.223 4.418 4.640 0.001 0.000 0.233 506 D C -0.969 175.340 176.300 0.016 0.000 1.164 506 D CA 1.111 55.207 54.000 0.159 0.000 0.638 506 D CB -1.249 39.660 40.800 0.180 0.000 1.041 506 D HN 0.543 nan 8.370 nan 0.000 0.422 507 N N -0.372 118.314 118.700 -0.023 0.000 2.269 507 N HA 0.372 5.112 4.740 0.001 0.000 0.304 507 N C -2.586 172.653 175.510 -0.451 0.000 1.072 507 N CA -1.662 51.157 53.050 -0.384 0.000 0.802 507 N CB 1.794 39.772 38.487 -0.849 0.000 1.348 507 N HN -0.216 nan 8.380 nan 0.000 0.484 508 P HA 0.096 nan 4.420 nan 0.000 0.225 508 P C -1.032 176.161 177.300 -0.179 0.000 1.813 508 P CA -0.246 62.733 63.100 -0.201 0.000 1.013 508 P CB -0.568 31.047 31.700 -0.142 0.000 1.961 509 W N 0.994 122.316 121.300 0.035 0.000 2.253 509 W HA 0.135 4.796 4.660 0.000 0.000 0.322 509 W C 0.845 177.383 176.519 0.032 0.000 1.342 509 W CA -0.268 57.098 57.345 0.036 0.000 1.218 509 W CB 0.158 29.641 29.460 0.038 0.000 1.205 509 W HN 0.251 nan 8.180 nan 0.000 0.551 510 D N 2.717 123.270 120.400 0.254 0.000 2.358 510 D HA 0.083 4.724 4.640 0.001 0.000 0.258 510 D C -0.231 176.165 176.300 0.160 0.000 1.223 510 D CA 0.007 54.104 54.000 0.161 0.000 0.886 510 D CB 0.541 41.412 40.800 0.118 0.000 1.120 510 D HN 0.391 nan 8.370 nan 0.000 0.482 511 c N 3.991 122.664 118.600 0.121 0.000 2.563 511 c HA 0.211 4.781 4.570 0.001 0.000 0.307 511 c C 0.299 174.428 174.090 0.064 0.000 1.371 511 c CA -0.330 56.054 56.329 0.092 0.000 1.772 511 c CB -1.421 41.139 42.510 0.083 0.000 2.283 511 c HN 0.584 nan 8.230 nan 0.000 0.570 512 T N -0.363 114.229 114.554 0.064 0.000 2.814 512 T HA 0.034 4.385 4.350 0.001 0.000 0.297 512 T C 1.304 176.032 174.700 0.046 0.000 0.956 512 T CA -0.088 62.041 62.100 0.048 0.000 1.123 512 T CB 1.093 69.989 68.868 0.045 0.000 0.902 512 T HN 0.486 nan 8.240 nan 0.000 0.528 513 c N 4.105 122.727 118.600 0.037 0.000 2.403 513 c HA -0.056 4.515 4.570 0.001 0.000 0.277 513 c C 0.036 174.149 174.090 0.038 0.000 1.248 513 c CA 0.544 56.893 56.329 0.034 0.000 1.762 513 c CB -1.409 41.116 42.510 0.025 0.000 2.014 513 c HN 0.801 nan 8.230 nan 0.000 0.486 514 P HA -0.010 nan 4.420 nan 0.000 0.220 514 P C 0.941 178.268 177.300 0.045 0.000 1.144 514 P CA 2.159 65.281 63.100 0.036 0.000 0.800 514 P CB -0.206 31.512 31.700 0.031 0.000 0.772 515 G N -2.538 106.295 108.800 0.055 0.000 3.738 515 G HA2 0.042 4.002 3.960 0.001 0.000 0.241 515 G HA3 0.042 4.002 3.960 0.001 0.000 0.241 515 G C 0.593 175.549 174.900 0.093 0.000 1.068 515 G CA 0.023 45.165 45.100 0.069 0.000 0.899 515 G HN 0.150 nan 8.290 nan 0.000 0.519 516 I N 0.636 121.255 120.570 0.081 0.000 3.875 516 I HA 0.394 4.564 4.170 0.001 0.000 0.329 516 I C 2.076 178.226 176.117 0.055 0.000 1.295 516 I CA -0.270 61.075 61.300 0.074 0.000 1.129 516 I CB -0.083 37.954 38.000 0.061 0.000 1.008 516 I HN 0.101 nan 8.210 nan 0.000 0.413 517 R N -0.303 120.243 120.500 0.075 0.000 2.062 517 R HA -0.248 4.093 4.340 0.001 0.000 0.231 517 R C 2.187 178.542 176.300 0.092 0.000 1.136 517 R CA 1.957 58.097 56.100 0.068 0.000 0.948 517 R CB -0.712 29.633 30.300 0.074 0.000 0.845 517 R HN 0.416 nan 8.270 nan 0.000 0.430 518 Y N 1.378 121.697 120.300 0.033 0.000 2.102 518 Y HA -0.273 4.278 4.550 0.002 0.000 0.280 518 Y C 2.035 177.983 175.900 0.080 0.000 1.178 518 Y CA 1.969 60.108 58.100 0.065 0.000 1.146 518 Y CB -0.462 38.035 38.460 0.062 0.000 0.968 518 Y HN 0.128 nan 8.280 nan 0.000 0.504 519 L N -1.112 120.074 121.223 -0.061 0.000 2.156 519 L HA -0.165 4.176 4.340 0.001 0.000 0.208 519 L C 2.735 179.498 176.870 -0.179 0.000 1.095 519 L CA 1.529 56.234 54.840 -0.225 0.000 0.770 519 L CB -0.505 41.407 42.059 -0.246 0.000 0.914 519 L HN 0.328 nan 8.230 nan 0.000 0.439 520 S N -0.591 115.038 115.700 -0.117 0.000 2.357 520 S HA -0.156 4.314 4.470 0.001 0.000 0.221 520 S C 1.798 176.338 174.600 -0.099 0.000 1.031 520 S CA 0.965 59.104 58.200 -0.102 0.000 0.982 520 S CB -0.088 63.072 63.200 -0.068 0.000 0.853 520 S HN 0.401 nan 8.310 nan 0.000 0.458 521 E N -0.137 120.012 120.200 -0.086 0.000 2.160 521 E HA -0.179 4.171 4.350 0.001 0.000 0.195 521 E C 1.572 178.074 176.600 -0.162 0.000 0.991 521 E CA 0.918 57.255 56.400 -0.106 0.000 0.810 521 E CB -0.358 29.305 29.700 -0.060 0.000 0.742 521 E HN 0.730 nan 8.360 nan 0.000 0.466 522 W N 1.609 122.698 121.300 -0.353 0.000 2.381 522 W HA -0.105 4.556 4.660 0.001 0.000 0.321 522 W C 2.183 178.532 176.519 -0.283 0.000 1.196 522 W CA 1.062 58.194 57.345 -0.355 0.000 1.304 522 W CB -0.241 28.909 29.460 -0.517 0.000 1.166 522 W HN -0.104 nan 8.180 nan 0.000 0.473 523 I N 1.251 121.843 120.570 0.036 0.000 2.300 523 I HA -0.388 3.782 4.170 0.001 0.000 0.252 523 I C 1.701 177.705 176.117 -0.188 0.000 1.119 523 I CA 1.660 62.929 61.300 -0.051 0.000 1.384 523 I CB -1.457 36.486 38.000 -0.095 0.000 1.062 523 I HN 0.214 nan 8.210 nan 0.000 0.426 524 N N 1.046 119.614 118.700 -0.220 0.000 2.173 524 N HA -0.118 4.622 4.740 0.001 0.000 0.184 524 N C 1.832 177.139 175.510 -0.339 0.000 1.025 524 N CA 0.922 53.832 53.050 -0.232 0.000 0.852 524 N CB -0.262 38.116 38.487 -0.182 0.000 0.998 524 N HN 0.357 nan 8.380 nan 0.000 0.427 525 K N 0.293 120.389 120.400 -0.506 0.000 2.362 525 K HA -0.070 4.250 4.320 0.001 0.000 0.200 525 K C -0.276 175.733 176.600 -0.983 0.000 1.046 525 K CA 0.893 56.742 56.287 -0.730 0.000 0.952 525 K CB 0.112 32.078 32.500 -0.889 0.000 0.753 525 K HN 0.343 nan 8.250 nan 0.000 0.466 526 H N -0.698 118.036 119.070 -0.561 0.000 2.379 526 H HA 0.175 4.732 4.556 0.001 0.000 0.229 526 H C 0.336 175.435 175.328 -0.381 0.000 1.423 526 H CA -0.348 55.359 56.048 -0.569 0.000 1.375 526 H CB 1.149 30.305 29.762 -1.011 0.000 1.592 526 H HN -0.009 nan 8.280 nan 0.000 0.507 527 S N 0.660 116.232 115.700 -0.213 0.000 2.387 527 S HA -0.090 4.380 4.470 0.001 0.000 0.226 527 S C 2.329 176.832 174.600 -0.161 0.000 1.026 527 S CA 1.099 59.197 58.200 -0.170 0.000 0.972 527 S CB 0.122 63.230 63.200 -0.154 0.000 0.814 527 S HN 0.714 nan 8.310 nan 0.000 0.477 528 G N 0.968 109.669 108.800 -0.164 0.000 2.511 528 G HA2 -0.039 3.922 3.960 0.001 0.000 0.217 528 G HA3 -0.039 3.922 3.960 0.001 0.000 0.217 528 G C 1.288 176.044 174.900 -0.241 0.000 1.133 528 G CA 0.407 45.397 45.100 -0.182 0.000 0.792 528 G HN 0.421 nan 8.290 nan 0.000 0.539 529 V N 0.753 120.537 119.914 -0.217 0.000 2.548 529 V HA -0.033 4.087 4.120 0.001 0.000 0.249 529 V C 1.323 177.259 176.094 -0.263 0.000 1.055 529 V CA 0.503 62.663 62.300 -0.234 0.000 1.065 529 V CB -0.107 31.628 31.823 -0.147 0.000 0.681 529 V HN 0.111 nan 8.190 nan 0.000 0.462 530 V N 2.773 122.560 119.914 -0.212 0.000 2.455 530 V HA 0.305 4.426 4.120 0.001 0.000 0.273 530 V C 0.417 176.310 176.094 -0.335 0.000 1.045 530 V CA -0.445 61.720 62.300 -0.224 0.000 0.976 530 V CB 0.509 32.256 31.823 -0.127 0.000 0.993 530 V HN 0.310 nan 8.190 nan 0.000 0.475 531 R N 3.799 123.967 120.500 -0.553 0.000 2.674 531 R HA 0.504 4.844 4.340 0.001 0.000 0.266 531 R C 0.094 176.158 176.300 -0.393 0.000 1.016 531 R CA -0.705 55.019 56.100 -0.628 0.000 1.062 531 R CB 1.200 30.780 30.300 -1.200 0.000 1.142 531 R HN 0.870 nan 8.270 nan 0.000 0.517 532 N N -1.834 116.757 118.700 -0.181 0.000 2.563 532 N HA 0.041 4.782 4.740 0.001 0.000 0.288 532 N C 0.358 175.893 175.510 0.042 0.000 1.246 532 N CA -0.545 52.459 53.050 -0.076 0.000 0.946 532 N CB 0.733 39.160 38.487 -0.100 0.000 1.213 532 N HN 0.307 nan 8.380 nan 0.000 0.578 533 S N -1.709 113.769 115.700 -0.370 0.000 2.584 533 S HA 0.028 4.498 4.470 0.001 0.000 0.240 533 S C 1.118 175.723 174.600 0.007 0.000 0.975 533 S CA 0.942 58.979 58.200 -0.271 0.000 0.949 533 S CB -0.758 62.175 63.200 -0.446 0.000 0.761 533 S HN 0.684 nan 8.310 nan 0.000 0.536 534 A N -0.331 122.523 122.820 0.057 0.000 1.993 534 A HA 0.655 4.976 4.320 0.001 0.000 0.202 534 A C 1.647 179.325 177.584 0.157 0.000 1.461 534 A CA 0.777 52.857 52.037 0.073 0.000 0.824 534 A CB -0.256 18.759 19.000 0.026 0.000 1.024 534 A HN 1.047 nan 8.150 nan 0.000 0.507 535 G N -1.122 107.788 108.800 0.184 0.000 3.272 535 G HA2 0.076 4.037 3.960 0.001 0.000 0.219 535 G HA3 0.076 4.037 3.960 0.001 0.000 0.219 535 G C 0.265 175.226 174.900 0.100 0.000 0.952 535 G CA 0.446 45.693 45.100 0.245 0.000 0.833 535 G HN 1.152 nan 8.290 nan 0.000 0.608 536 S N 0.492 116.205 115.700 0.021 0.000 2.654 536 S HA 0.714 5.185 4.470 0.001 0.000 0.283 536 S C 0.516 175.052 174.600 -0.106 0.000 1.180 536 S CA -0.239 57.939 58.200 -0.038 0.000 1.021 536 S CB 1.999 65.184 63.200 -0.025 0.000 1.018 536 S HN 1.404 nan 8.310 nan 0.000 0.532 537 V N -0.741 119.095 119.914 -0.129 0.000 2.644 537 V HA 0.475 4.596 4.120 0.001 0.000 0.305 537 V C 0.370 176.388 176.094 -0.126 0.000 1.053 537 V CA 0.135 62.339 62.300 -0.160 0.000 1.186 537 V CB -1.065 30.670 31.823 -0.146 0.000 0.895 537 V HN 1.358 nan 8.190 nan 0.000 0.490 538 A N 5.000 127.738 122.820 -0.137 0.000 2.562 538 A HA 0.675 4.995 4.320 0.001 0.000 0.297 538 A C -2.275 175.253 177.584 -0.093 0.000 1.100 538 A CA -0.719 51.258 52.037 -0.099 0.000 0.914 538 A CB 1.424 20.375 19.000 -0.082 0.000 1.490 538 A HN 0.599 nan 8.150 nan 0.000 0.391 539 P HA 0.025 nan 4.420 nan 0.000 0.236 539 P C 0.574 177.837 177.300 -0.061 0.000 1.177 539 P CA 0.889 63.938 63.100 -0.084 0.000 0.773 539 P CB 0.455 32.097 31.700 -0.096 0.000 0.878 540 D N -1.076 119.296 120.400 -0.045 0.000 2.183 540 D HA -0.074 4.566 4.640 0.001 0.000 0.203 540 D C 1.916 178.220 176.300 0.006 0.000 0.969 540 D CA 0.956 54.942 54.000 -0.023 0.000 0.842 540 D CB -0.492 40.295 40.800 -0.021 0.000 0.957 540 D HN -0.013 nan 8.370 nan 0.000 0.484 541 S N 0.471 116.179 115.700 0.013 0.000 2.389 541 S HA -0.201 4.270 4.470 0.001 0.000 0.231 541 S C 1.177 175.867 174.600 0.150 0.000 1.052 541 S CA 1.102 59.345 58.200 0.073 0.000 1.053 541 S CB -0.370 62.877 63.200 0.078 0.000 0.886 541 S HN 0.411 nan 8.310 nan 0.000 0.456 542 A N 2.423 125.306 122.820 0.105 0.000 2.454 542 A HA 0.416 4.737 4.320 0.001 0.000 0.260 542 A C 0.446 178.103 177.584 0.123 0.000 1.106 542 A CA 0.006 52.120 52.037 0.128 0.000 0.780 542 A CB 0.285 19.219 19.000 -0.109 0.000 1.044 542 A HN 0.219 nan 8.150 nan 0.000 0.498 543 K N 1.051 121.610 120.400 0.265 0.000 2.378 543 K HA 0.551 4.872 4.320 0.001 0.000 0.244 543 K C -1.139 175.630 176.600 0.282 0.000 1.039 543 K CA -0.504 55.906 56.287 0.206 0.000 0.863 543 K CB 1.723 34.318 32.500 0.158 0.000 1.326 543 K HN 0.638 nan 8.250 nan 0.000 0.460 544 c N 1.142 119.849 118.600 0.178 0.000 2.358 544 c HA 0.301 4.872 4.570 0.001 0.000 0.342 544 c C 0.602 174.769 174.090 0.127 0.000 1.234 544 c CA -0.711 55.722 56.329 0.172 0.000 1.969 544 c CB 0.756 43.334 42.510 0.113 0.000 2.346 544 c HN 0.698 nan 8.230 nan 0.000 0.525 545 S N 1.879 117.649 115.700 0.117 0.000 3.024 545 S HA 0.480 4.951 4.470 0.001 0.000 0.316 545 S C 0.983 175.617 174.600 0.058 0.000 1.197 545 S CA 0.319 58.560 58.200 0.069 0.000 1.097 545 S CB -0.276 62.954 63.200 0.050 0.000 1.471 545 S HN 1.311 nan 8.310 nan 0.000 0.543 546 G N 2.318 111.149 108.800 0.052 0.000 4.386 546 G HA2 -0.202 3.758 3.960 0.001 0.000 0.185 546 G HA3 -0.202 3.758 3.960 0.001 0.000 0.185 546 G C 1.050 175.973 174.900 0.038 0.000 1.725 546 G CA 0.113 45.237 45.100 0.041 0.000 0.941 546 G HN 0.725 nan 8.290 nan 0.000 0.315 547 S N 0.169 115.894 115.700 0.042 0.000 2.427 547 S HA 0.431 4.901 4.470 0.001 0.000 0.224 547 S C 2.078 176.701 174.600 0.039 0.000 1.047 547 S CA 1.735 59.957 58.200 0.036 0.000 0.953 547 S CB 0.472 63.691 63.200 0.032 0.000 0.824 547 S HN 2.411 nan 8.310 nan 0.000 0.502 548 G N 1.242 110.073 108.800 0.051 0.000 2.159 548 G HA2 -0.211 3.749 3.960 0.001 0.000 0.227 548 G HA3 -0.211 3.749 3.960 0.001 0.000 0.227 548 G C -0.167 174.763 174.900 0.051 0.000 0.986 548 G CA -0.120 45.014 45.100 0.055 0.000 0.651 548 G HN 0.532 nan 8.290 nan 0.000 0.523 549 K N 1.341 121.768 120.400 0.045 0.000 2.379 549 K HA 0.360 4.680 4.320 0.001 0.000 0.284 549 K C -2.315 174.303 176.600 0.031 0.000 1.044 549 K CA -1.586 54.720 56.287 0.031 0.000 0.974 549 K CB 0.719 33.233 32.500 0.023 0.000 0.962 549 K HN 0.001 nan 8.250 nan 0.000 0.474 550 P HA -0.123 nan 4.420 nan 0.000 0.256 550 P C 0.695 177.982 177.300 -0.022 0.000 1.173 550 P CA 0.184 63.284 63.100 -0.001 0.000 0.768 550 P CB 0.401 32.093 31.700 -0.013 0.000 0.758 551 V N 4.272 124.159 119.914 -0.045 0.000 2.546 551 V HA -0.280 3.840 4.120 0.001 0.000 0.254 551 V C 2.024 178.067 176.094 -0.085 0.000 1.076 551 V CA 2.158 64.410 62.300 -0.080 0.000 1.087 551 V CB -1.142 30.566 31.823 -0.192 0.000 0.674 551 V HN 0.590 nan 8.190 nan 0.000 0.470 552 R N 1.467 121.915 120.500 -0.087 0.000 2.299 552 R HA 0.027 4.367 4.340 0.001 0.000 0.197 552 R C 2.033 178.295 176.300 -0.065 0.000 0.971 552 R CA 1.011 57.060 56.100 -0.086 0.000 1.030 552 R CB -1.410 28.832 30.300 -0.096 0.000 0.932 552 R HN 0.589 nan 8.270 nan 0.000 0.477 553 S N 1.009 116.680 115.700 -0.048 0.000 2.395 553 S HA 0.062 4.532 4.470 0.001 0.000 0.225 553 S C 1.054 175.635 174.600 -0.031 0.000 1.027 553 S CA -0.056 58.123 58.200 -0.036 0.000 0.965 553 S CB -0.310 62.876 63.200 -0.024 0.000 0.812 553 S HN 0.261 nan 8.310 nan 0.000 0.482 554 I N 3.067 123.620 120.570 -0.027 0.000 2.683 554 I HA 0.065 4.236 4.170 0.001 0.000 0.286 554 I C -0.428 175.677 176.117 -0.020 0.000 1.175 554 I CA 0.142 61.431 61.300 -0.017 0.000 1.429 554 I CB 0.239 38.234 38.000 -0.009 0.000 1.371 554 I HN 0.304 nan 8.210 nan 0.000 0.569 555 I N 6.730 127.292 120.570 -0.013 0.000 2.420 555 I HA 0.211 4.381 4.170 0.001 0.000 0.282 555 I C -0.448 175.667 176.117 -0.003 0.000 1.019 555 I CA -0.373 60.920 61.300 -0.013 0.000 1.130 555 I CB 1.071 39.062 38.000 -0.015 0.000 1.262 555 I HN 0.502 nan 8.210 nan 0.000 0.454 556 c N 7.507 126.108 118.600 0.001 0.000 2.239 556 c HA 0.558 5.129 4.570 0.001 0.000 0.323 556 c C -1.191 172.905 174.090 0.009 0.000 1.205 556 c CA -0.862 55.473 56.329 0.009 0.000 1.584 556 c CB 0.214 42.735 42.510 0.018 0.000 2.201 556 c HN 0.593 nan 8.230 nan 0.000 0.475 557 P HA 0.000 nan 4.420 nan 0.000 0.216 557 P CA 0.000 63.104 63.100 0.006 0.000 0.800 557 P CB 0.000 31.702 31.700 0.004 0.000 0.726