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 3be8_1_B DATA FIRST_RESID -2 DATA SEQUENCE AAXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXQYPV DATA SEQUENCE VNTNYGKIRG LRTPLPNEIL GPVEQYLGVP YASPPTGERR FQPPEPPSSW DATA SEQUENCE TGIRNTTQFA AVcPQHLDER SLLHDMLPIW FTANLDTLMT YVQDQNEDcL DATA SEQUENCE YLNIYVPTEX XXXXXXSKKP VMVYIHGGSY MEGTGNMIDG SILASYGNVI DATA SEQUENCE VITINYRLGI LGFLSTGDQA AKGNYGLLDQ IQALRWIEEN VGAFGGDPKR DATA SEQUENCE VTIFGSGAGA SCVSLLTLSH YSEGLFQKAI IQSGTALSSW AVNYQPAKYT DATA SEQUENCE RILADKVGCN MLDTTDMVEC LRNKNYKELI QQTITPATYH IAFGPVIDGD DATA SEQUENCE VIPDDPQILM EQGEFLNYDI MLGVNQGEGL KFVDGIVDNE DGVTPNDFDF DATA SEQUENCE SVSNFVDNLY GYPEGKDTLR ETIKFMYTDW ADKENPETRR KTLVALFTDH DATA SEQUENCE QWVAPAVATA DLHAQYGSPT YFYAFYHHcQ SEMKPSWADS AHGDEVPYVF DATA SEQUENCE GIPMIGPTEL FScNFSKNDV MLSAVVMTYW TNFAKTGDPN QPVXXXXXXX DATA SEQUENCE XXXXXXXXEV AWSRYNPKDQ LYLHIGLKPR VRDHYRATKV AFWLELVPHL 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 -2 A HA 0.000 nan 4.320 nan 0.000 0.244 -2 A C 0.000 177.650 177.584 0.109 0.000 1.274 -2 A CA 0.000 52.106 52.037 0.115 0.000 0.836 -2 A CB 0.000 19.091 19.000 0.152 0.000 0.831 45 Y N 1.627 121.926 120.300 -0.002 0.000 2.662 45 Y HA 0.454 5.004 4.550 -0.000 0.000 0.358 45 Y C -2.430 173.495 175.900 0.043 0.000 1.041 45 Y CA -2.318 55.785 58.100 0.004 0.000 1.184 45 Y CB 1.037 39.503 38.460 0.011 0.000 1.114 45 Y HN 0.034 nan 8.280 nan 0.000 0.650 46 P HA 0.123 nan 4.420 nan 0.000 0.271 46 P C -0.430 177.045 177.300 0.292 0.000 1.216 46 P CA -0.011 63.205 63.100 0.194 0.000 0.776 46 P CB 1.405 33.224 31.700 0.199 0.000 0.881 47 V N 4.129 124.177 119.914 0.224 0.000 2.459 47 V HA 0.377 4.497 4.120 -0.000 0.000 0.295 47 V C 0.090 176.250 176.094 0.110 0.000 1.029 47 V CA -0.584 61.836 62.300 0.200 0.000 0.874 47 V CB 2.115 34.022 31.823 0.139 0.000 0.985 47 V HN 0.237 nan 8.190 nan 0.000 0.438 48 V N 3.986 123.921 119.914 0.035 0.000 2.540 48 V HA 0.460 4.580 4.120 -0.000 0.000 0.302 48 V C -0.393 175.611 176.094 -0.150 0.000 1.035 48 V CA -0.991 61.182 62.300 -0.213 0.000 0.873 48 V CB 2.279 33.675 31.823 -0.712 0.000 0.992 48 V HN 0.857 nan 8.190 nan 0.000 0.428 49 N N 3.137 121.738 118.700 -0.165 0.000 2.401 49 N HA 0.274 5.014 4.740 -0.000 0.000 0.255 49 N C 0.301 175.719 175.510 -0.153 0.000 1.110 49 N CA -0.109 52.875 53.050 -0.111 0.000 0.949 49 N CB 1.364 39.788 38.487 -0.105 0.000 1.110 49 N HN 0.901 nan 8.380 nan 0.000 0.490 50 T N -0.768 113.752 114.554 -0.057 0.000 2.862 50 T HA 0.256 4.606 4.350 -0.000 0.000 0.276 50 T C 1.171 175.782 174.700 -0.148 0.000 0.974 50 T CA -0.644 61.439 62.100 -0.029 0.000 0.966 50 T CB 0.863 69.903 68.868 0.287 0.000 1.072 50 T HN 0.180 nan 8.240 nan 0.000 0.538 51 N N -0.283 118.279 118.700 -0.231 0.000 2.443 51 N HA -0.030 4.710 4.740 -0.000 0.000 0.184 51 N C 0.713 175.852 175.510 -0.620 0.000 1.037 51 N CA 0.975 53.766 53.050 -0.431 0.000 0.896 51 N CB -0.469 37.677 38.487 -0.568 0.000 0.959 51 N HN 0.671 nan 8.380 nan 0.000 0.442 52 Y N -0.574 119.561 120.300 -0.274 0.000 2.458 52 Y HA 0.410 4.960 4.550 -0.000 0.000 0.256 52 Y C 1.539 176.766 175.900 -1.122 0.000 1.159 52 Y CA 0.135 57.935 58.100 -0.500 0.000 1.261 52 Y CB 0.607 38.883 38.460 -0.306 0.000 1.119 52 Y HN -0.020 nan 8.280 nan 0.000 0.524 53 G N 0.174 108.526 108.800 -0.747 0.000 2.353 53 G HA2 0.003 3.963 3.960 -0.000 0.000 0.424 53 G HA3 0.003 3.963 3.960 -0.000 0.000 0.424 53 G C -1.471 173.339 174.900 -0.151 0.000 1.320 53 G CA -1.369 43.247 45.100 -0.806 0.000 0.995 53 G HN -0.043 nan 8.290 nan 0.000 0.580 54 K N -0.053 120.446 120.400 0.164 0.000 2.174 54 K HA 0.641 4.961 4.320 -0.000 0.000 0.275 54 K C 0.428 177.341 176.600 0.521 0.000 1.015 54 K CA -0.311 56.149 56.287 0.288 0.000 0.933 54 K CB 1.475 34.090 32.500 0.191 0.000 1.025 54 K HN 0.690 nan 8.250 nan 0.000 0.463 55 I N -1.440 119.362 120.570 0.388 0.000 2.646 55 I HA 0.513 4.683 4.170 -0.000 0.000 0.299 55 I C -0.754 175.559 176.117 0.327 0.000 1.036 55 I CA -1.118 60.408 61.300 0.377 0.000 1.074 55 I CB 2.073 40.336 38.000 0.439 0.000 1.258 55 I HN 0.471 nan 8.210 nan 0.000 0.430 56 R N 3.614 124.285 120.500 0.286 0.000 2.295 56 R HA 0.691 5.031 4.340 -0.000 0.000 0.324 56 R C -0.241 176.236 176.300 0.295 0.000 0.968 56 R CA -0.308 55.957 56.100 0.275 0.000 0.837 56 R CB 1.655 32.048 30.300 0.155 0.000 1.133 56 R HN 1.065 nan 8.270 nan 0.000 0.450 57 G N 3.393 112.360 108.800 0.279 0.000 2.990 57 G HA2 0.581 4.541 3.960 -0.000 0.000 0.208 57 G HA3 0.581 4.541 3.960 -0.000 0.000 0.208 57 G C -0.964 173.898 174.900 -0.064 0.000 1.334 57 G CA -0.834 44.230 45.100 -0.061 0.000 1.024 57 G HN 0.564 nan 8.290 nan 0.000 0.574 58 L N -2.436 118.632 121.223 -0.258 0.000 2.431 58 L HA 0.765 5.105 4.340 -0.000 0.000 0.266 58 L C -0.367 176.344 176.870 -0.266 0.000 0.978 58 L CA -1.106 53.587 54.840 -0.246 0.000 0.822 58 L CB 2.474 44.410 42.059 -0.206 0.000 1.310 58 L HN 0.473 nan 8.230 nan 0.000 0.409 59 R N 1.729 122.084 120.500 -0.243 0.000 2.210 59 R HA 0.453 4.793 4.340 -0.000 0.000 0.338 59 R C -0.985 175.229 176.300 -0.144 0.000 1.062 59 R CA -0.073 55.931 56.100 -0.161 0.000 0.902 59 R CB 0.797 31.023 30.300 -0.123 0.000 1.050 59 R HN 0.836 nan 8.270 nan 0.000 0.461 60 T N 7.923 122.420 114.554 -0.096 0.000 2.756 60 T HA 0.314 4.663 4.350 -0.000 0.000 0.290 60 T C -2.371 172.308 174.700 -0.035 0.000 0.985 60 T CA -1.459 60.600 62.100 -0.068 0.000 0.955 60 T CB 1.470 70.312 68.868 -0.042 0.000 0.930 60 T HN 0.507 nan 8.240 nan 0.000 0.451 61 P HA 0.221 nan 4.420 nan 0.000 0.269 61 P C -0.881 176.412 177.300 -0.012 0.000 1.209 61 P CA -0.620 62.467 63.100 -0.022 0.000 0.776 61 P CB 0.633 32.317 31.700 -0.027 0.000 0.876 62 L N 5.130 126.350 121.223 -0.005 0.000 2.322 62 L HA 0.356 4.696 4.340 -0.000 0.000 0.279 62 L C -1.150 175.715 176.870 -0.009 0.000 1.036 62 L CA -2.070 52.767 54.840 -0.004 0.000 0.807 62 L CB 0.242 42.303 42.059 0.002 0.000 1.226 62 L HN 0.252 nan 8.230 nan 0.000 0.433 63 P HA -0.177 nan 4.420 nan 0.000 0.218 63 P C 0.055 177.348 177.300 -0.011 0.000 1.152 63 P CA 1.146 64.239 63.100 -0.012 0.000 0.857 63 P CB 0.064 31.755 31.700 -0.014 0.000 0.787 64 N N 0.102 118.796 118.700 -0.011 0.000 2.442 64 N HA -0.033 4.706 4.740 -0.000 0.000 0.265 64 N C 1.053 176.561 175.510 -0.003 0.000 1.138 64 N CA 0.042 53.087 53.050 -0.008 0.000 0.956 64 N CB 0.420 38.902 38.487 -0.008 0.000 1.067 64 N HN 0.225 nan 8.380 nan 0.000 0.474 65 E N 3.523 123.721 120.200 -0.004 0.000 2.216 65 E HA -0.140 4.209 4.350 -0.000 0.000 0.192 65 E C 1.373 177.972 176.600 -0.001 0.000 0.988 65 E CA 0.885 57.283 56.400 -0.003 0.000 0.834 65 E CB -0.399 29.299 29.700 -0.004 0.000 0.772 65 E HN 0.790 nan 8.360 nan 0.000 0.479 66 I N -1.010 119.560 120.570 0.000 0.000 3.735 66 I HA 0.207 4.377 4.170 -0.000 0.000 0.310 66 I C -0.152 175.968 176.117 0.005 0.000 1.270 66 I CA -0.376 60.924 61.300 -0.000 0.000 1.207 66 I CB 0.260 38.259 38.000 -0.001 0.000 1.013 66 I HN -0.074 nan 8.210 nan 0.000 0.452 67 L N 2.211 123.441 121.223 0.012 0.000 2.295 67 L HA 0.672 5.012 4.340 -0.000 0.000 0.285 67 L C 0.882 177.760 176.870 0.015 0.000 1.035 67 L CA -0.345 54.508 54.840 0.021 0.000 0.806 67 L CB 1.206 43.285 42.059 0.034 0.000 1.214 67 L HN 0.200 nan 8.230 nan 0.000 0.426 68 G N 4.016 112.826 108.800 0.016 0.000 2.636 68 G HA2 0.422 4.381 3.960 -0.000 0.000 0.246 68 G HA3 0.422 4.381 3.960 -0.000 0.000 0.246 68 G C -2.539 172.375 174.900 0.022 0.000 1.216 68 G CA -0.786 44.324 45.100 0.016 0.000 0.854 68 G HN 0.461 nan 8.290 nan 0.000 0.572 69 P HA 0.307 nan 4.420 nan 0.000 0.272 69 P C -0.539 176.783 177.300 0.038 0.000 1.240 69 P CA -0.410 62.700 63.100 0.017 0.000 0.791 69 P CB 0.992 32.693 31.700 0.002 0.000 0.978 70 V N 1.002 120.940 119.914 0.040 0.000 2.709 70 V HA 0.234 4.354 4.120 -0.000 0.000 0.308 70 V C -0.066 176.045 176.094 0.030 0.000 1.062 70 V CA -0.634 61.711 62.300 0.075 0.000 0.901 70 V CB 1.875 33.775 31.823 0.128 0.000 1.003 70 V HN 0.471 nan 8.190 nan 0.000 0.425 71 E N 3.499 123.722 120.200 0.037 0.000 2.200 71 E HA 0.430 4.780 4.350 -0.000 0.000 0.283 71 E C -0.899 175.589 176.600 -0.187 0.000 1.015 71 E CA -0.405 55.939 56.400 -0.094 0.000 0.819 71 E CB 1.423 31.131 29.700 0.015 0.000 1.081 71 E HN 0.562 nan 8.360 nan 0.000 0.397 72 Q N 2.447 122.009 119.800 -0.397 0.000 2.331 72 Q HA 0.327 4.667 4.340 -0.000 0.000 0.267 72 Q C -1.336 174.299 176.000 -0.608 0.000 1.006 72 Q CA -0.603 54.944 55.803 -0.426 0.000 0.818 72 Q CB 1.463 30.027 28.738 -0.289 0.000 1.276 72 Q HN 0.506 nan 8.270 nan 0.000 0.450 73 Y N 2.680 122.898 120.300 -0.138 0.000 2.376 73 Y HA 0.420 4.969 4.550 -0.000 0.000 0.326 73 Y C -0.494 175.340 175.900 -0.109 0.000 0.970 73 Y CA -0.614 57.466 58.100 -0.034 0.000 1.248 73 Y CB 0.903 39.436 38.460 0.123 0.000 1.117 73 Y HN 0.354 nan 8.280 nan 0.000 0.476 74 L N 2.377 123.597 121.223 -0.004 0.000 2.329 74 L HA 0.713 5.053 4.340 -0.000 0.000 0.279 74 L C 0.795 177.684 176.870 0.033 0.000 1.014 74 L CA -1.070 53.748 54.840 -0.036 0.000 0.814 74 L CB 1.905 43.817 42.059 -0.246 0.000 1.257 74 L HN 0.903 nan 8.230 nan 0.000 0.424 75 G N 2.470 111.335 108.800 0.109 0.000 2.256 75 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.272 75 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.272 75 G C -0.236 174.771 174.900 0.178 0.000 1.076 75 G CA -0.269 44.873 45.100 0.070 0.000 0.882 75 G HN 0.358 nan 8.290 nan 0.000 0.497 76 V N 2.083 122.099 119.914 0.170 0.000 2.455 76 V HA 0.347 4.467 4.120 -0.000 0.000 0.273 76 V C -1.110 174.993 176.094 0.016 0.000 1.045 76 V CA -1.279 61.075 62.300 0.091 0.000 0.976 76 V CB 1.172 32.969 31.823 -0.044 0.000 0.993 76 V HN 0.338 nan 8.190 nan 0.000 0.475 77 P HA 0.101 nan 4.420 nan 0.000 0.271 77 P C -0.490 176.541 177.300 -0.449 0.000 1.226 77 P CA 0.133 63.016 63.100 -0.362 0.000 0.765 77 P CB 0.267 31.838 31.700 -0.214 0.000 0.835 78 Y N 2.023 121.977 120.300 -0.576 0.000 2.481 78 Y HA 0.724 5.274 4.550 -0.000 0.000 0.247 78 Y C 0.070 175.814 175.900 -0.261 0.000 1.151 78 Y CA -0.636 57.093 58.100 -0.619 0.000 1.238 78 Y CB 0.385 38.475 38.460 -0.615 0.000 1.179 78 Y HN 0.446 nan 8.280 nan 0.000 0.524 79 A N -0.014 122.503 122.820 -0.505 0.000 2.610 79 A HA 0.650 4.970 4.320 -0.000 0.000 0.291 79 A C -0.799 176.587 177.584 -0.329 0.000 1.086 79 A CA -0.782 51.066 52.037 -0.316 0.000 0.677 79 A CB 0.696 19.497 19.000 -0.333 0.000 1.278 79 A HN 0.109 nan 8.150 nan 0.000 0.414 80 S N 1.563 117.152 115.700 -0.185 0.000 2.579 80 S HA 0.455 4.925 4.470 -0.000 0.000 0.275 80 S C -2.418 172.067 174.600 -0.193 0.000 1.345 80 S CA -0.395 57.715 58.200 -0.150 0.000 1.031 80 S CB 0.126 63.285 63.200 -0.069 0.000 0.892 80 S HN 0.507 nan 8.310 nan 0.000 0.529 81 P HA 0.113 nan 4.420 nan 0.000 0.263 81 P C -2.306 174.906 177.300 -0.147 0.000 1.195 81 P CA -1.002 62.001 63.100 -0.160 0.000 0.762 81 P CB -0.151 31.489 31.700 -0.099 0.000 0.799 82 P HA 0.030 nan 4.420 nan 0.000 0.220 82 P C -0.455 176.727 177.300 -0.196 0.000 1.778 82 P CA 0.102 63.095 63.100 -0.177 0.000 0.912 82 P CB -0.369 31.216 31.700 -0.191 0.000 1.861 83 T N -4.051 110.411 114.554 -0.153 0.000 2.950 83 T HA 0.659 5.009 4.350 -0.000 0.000 0.288 83 T C 0.774 175.403 174.700 -0.117 0.000 1.035 83 T CA 0.101 62.117 62.100 -0.139 0.000 1.028 83 T CB 1.867 70.678 68.868 -0.096 0.000 1.109 83 T HN 0.297 nan 8.240 nan 0.000 0.514 84 G N 1.544 110.281 108.800 -0.104 0.000 2.561 84 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.289 84 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.289 84 G C 0.714 175.561 174.900 -0.088 0.000 1.169 84 G CA 0.432 45.486 45.100 -0.076 0.000 0.980 84 G HN 0.769 nan 8.290 nan 0.000 0.550 85 E N 1.218 121.383 120.200 -0.059 0.000 2.409 85 E HA -0.014 4.336 4.350 -0.000 0.000 0.198 85 E C 2.554 179.111 176.600 -0.072 0.000 1.024 85 E CA 0.725 57.097 56.400 -0.047 0.000 0.861 85 E CB -0.089 29.599 29.700 -0.020 0.000 0.788 85 E HN 0.585 nan 8.360 nan 0.000 0.521 86 R N 0.493 120.931 120.500 -0.103 0.000 2.317 86 R HA 0.120 4.460 4.340 -0.000 0.000 0.208 86 R C 1.047 177.206 176.300 -0.235 0.000 0.914 86 R CA -0.248 55.774 56.100 -0.131 0.000 1.060 86 R CB 0.263 30.501 30.300 -0.103 0.000 1.015 86 R HN -0.069 nan 8.270 nan 0.000 0.498 87 R N 1.099 121.413 120.500 -0.309 0.000 2.570 87 R HA -0.097 4.243 4.340 -0.000 0.000 0.277 87 R C -0.553 175.389 176.300 -0.597 0.000 1.039 87 R CA 0.261 56.015 56.100 -0.577 0.000 1.065 87 R CB 0.158 30.037 30.300 -0.703 0.000 0.964 87 R HN 0.065 nan 8.270 nan 0.000 0.428 88 F N 0.534 120.163 119.950 -0.535 0.000 3.091 88 F HA -0.268 4.259 4.527 -0.000 0.000 0.288 88 F C -0.334 174.949 175.800 -0.861 0.000 0.907 88 F CA 0.814 58.230 58.000 -0.973 0.000 1.028 88 F CB -1.745 37.021 39.000 -0.389 0.000 1.022 88 F HN 0.573 nan 8.300 nan 0.000 0.665 89 Q N -0.806 118.680 119.800 -0.524 0.000 2.451 89 Q HA 0.561 4.901 4.340 -0.000 0.000 0.281 89 Q C -2.330 173.661 176.000 -0.016 0.000 1.099 89 Q CA -2.041 53.675 55.803 -0.146 0.000 0.806 89 Q CB 1.870 30.571 28.738 -0.061 0.000 1.419 89 Q HN -0.168 nan 8.270 nan 0.000 0.427 90 P HA 0.063 nan 4.420 nan 0.000 0.268 90 P C -2.353 174.991 177.300 0.074 0.000 1.208 90 P CA -0.646 62.549 63.100 0.158 0.000 0.777 90 P CB -0.380 31.401 31.700 0.136 0.000 0.875 91 P HA 0.097 nan 4.420 nan 0.000 0.271 91 P C -0.455 176.879 177.300 0.056 0.000 1.216 91 P CA 0.258 63.382 63.100 0.040 0.000 0.776 91 P CB 0.829 32.574 31.700 0.074 0.000 0.881 92 E N 2.905 123.121 120.200 0.025 0.000 2.232 92 E HA 0.416 4.766 4.350 -0.000 0.000 0.265 92 E C -2.290 174.341 176.600 0.052 0.000 1.001 92 E CA -2.200 54.229 56.400 0.049 0.000 0.870 92 E CB -0.114 29.606 29.700 0.033 0.000 1.175 92 E HN 0.323 nan 8.360 nan 0.000 0.407 93 P HA 0.056 nan 4.420 nan 0.000 0.269 93 P C -2.346 174.963 177.300 0.015 0.000 1.217 93 P CA -0.697 62.470 63.100 0.113 0.000 0.783 93 P CB -0.281 31.556 31.700 0.228 0.000 0.898 94 P HA 0.066 nan 4.420 nan 0.000 0.274 94 P C -0.470 176.828 177.300 -0.003 0.000 1.246 94 P CA -0.015 62.991 63.100 -0.157 0.000 0.795 94 P CB 0.501 32.023 31.700 -0.296 0.000 1.006 95 S N 0.197 115.961 115.700 0.106 0.000 2.565 95 S HA 0.213 4.683 4.470 -0.000 0.000 0.276 95 S C 0.460 175.285 174.600 0.374 0.000 1.326 95 S CA -0.213 58.119 58.200 0.220 0.000 1.045 95 S CB -0.097 63.213 63.200 0.184 0.000 0.918 95 S HN 0.368 nan 8.310 nan 0.000 0.505 96 S N 2.021 117.917 115.700 0.327 0.000 2.600 96 S HA 0.462 4.932 4.470 -0.000 0.000 0.265 96 S C -0.327 174.431 174.600 0.264 0.000 1.325 96 S CA -0.397 57.904 58.200 0.168 0.000 1.002 96 S CB 0.180 63.392 63.200 0.020 0.000 0.921 96 S HN 0.732 nan 8.310 nan 0.000 0.554 97 W N -0.763 120.622 121.300 0.142 0.000 3.075 97 W HA 0.693 5.353 4.660 -0.000 0.000 0.334 97 W C -0.951 175.617 176.519 0.080 0.000 1.243 97 W CA -0.856 56.548 57.345 0.098 0.000 1.170 97 W CB 0.287 29.805 29.460 0.096 0.000 1.452 97 W HN 0.351 nan 8.180 nan 0.000 0.572 98 T N 1.727 116.459 114.554 0.298 0.000 2.943 98 T HA 0.613 4.963 4.350 -0.000 0.000 0.284 98 T C 0.592 175.467 174.700 0.291 0.000 1.015 98 T CA 1.147 63.358 62.100 0.184 0.000 1.042 98 T CB 0.810 69.752 68.868 0.123 0.000 1.055 98 T HN 1.528 nan 8.240 nan 0.000 0.500 99 G N 1.746 110.663 108.800 0.194 0.000 2.562 99 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.250 99 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.250 99 G C -0.616 174.453 174.900 0.281 0.000 1.269 99 G CA -0.269 44.944 45.100 0.188 0.000 0.919 99 G HN 0.845 nan 8.290 nan 0.000 0.574 100 I N 0.971 121.670 120.570 0.215 0.000 2.389 100 I HA 0.428 4.598 4.170 -0.000 0.000 0.288 100 I C 0.682 176.877 176.117 0.131 0.000 0.999 100 I CA -0.571 60.861 61.300 0.220 0.000 1.129 100 I CB 1.734 39.816 38.000 0.138 0.000 1.288 100 I HN 0.552 nan 8.210 nan 0.000 0.444 101 R N 5.294 125.858 120.500 0.107 0.000 2.254 101 R HA 0.305 4.645 4.340 -0.000 0.000 0.318 101 R C -0.559 175.713 176.300 -0.047 0.000 1.031 101 R CA -0.702 55.295 56.100 -0.171 0.000 0.905 101 R CB 0.736 30.590 30.300 -0.742 0.000 1.050 101 R HN 0.521 nan 8.270 nan 0.000 0.456 102 N N 2.222 120.884 118.700 -0.064 0.000 2.497 102 N HA 0.017 4.757 4.740 -0.000 0.000 0.268 102 N C -0.562 174.941 175.510 -0.012 0.000 1.171 102 N CA 0.401 53.441 53.050 -0.017 0.000 0.948 102 N CB 1.485 39.944 38.487 -0.048 0.000 1.069 102 N HN 0.557 nan 8.380 nan 0.000 0.460 103 T N -2.220 112.375 114.554 0.068 0.000 3.390 103 T HA 0.254 4.604 4.350 -0.000 0.000 0.351 103 T C 0.781 175.500 174.700 0.031 0.000 1.759 103 T CA -0.727 61.416 62.100 0.072 0.000 1.561 103 T CB -0.354 68.633 68.868 0.198 0.000 1.011 103 T HN 0.441 nan 8.240 nan 0.000 0.689 104 T N -1.532 113.004 114.554 -0.030 0.000 3.003 104 T HA 0.271 4.621 4.350 -0.000 0.000 0.261 104 T C 0.362 174.979 174.700 -0.138 0.000 1.003 104 T CA -0.345 61.721 62.100 -0.056 0.000 0.917 104 T CB 0.038 68.907 68.868 0.002 0.000 1.084 104 T HN 0.745 nan 8.240 nan 0.000 0.522 105 Q N 0.027 119.730 119.800 -0.162 0.000 2.482 105 Q HA 0.546 4.886 4.340 -0.000 0.000 0.286 105 Q C -1.603 174.292 176.000 -0.175 0.000 1.007 105 Q CA -1.098 54.563 55.803 -0.237 0.000 0.801 105 Q CB 0.587 29.238 28.738 -0.146 0.000 1.455 105 Q HN 0.048 nan 8.270 nan 0.000 0.398 106 F N 1.416 121.331 119.950 -0.058 0.000 2.563 106 F HA 0.371 4.898 4.527 -0.000 0.000 0.363 106 F C 1.040 176.747 175.800 -0.155 0.000 1.123 106 F CA 0.510 58.467 58.000 -0.072 0.000 1.307 106 F CB 0.460 39.447 39.000 -0.021 0.000 1.115 106 F HN 0.743 nan 8.300 nan 0.000 0.592 107 A N 2.422 125.218 122.820 -0.040 0.000 2.280 107 A HA 0.682 5.002 4.320 -0.000 0.000 0.268 107 A C 0.065 177.539 177.584 -0.184 0.000 1.111 107 A CA -0.281 51.549 52.037 -0.344 0.000 0.814 107 A CB -0.156 18.216 19.000 -1.046 0.000 1.093 107 A HN 0.986 nan 8.150 nan 0.000 0.498 108 A N -0.244 122.448 122.820 -0.213 0.000 2.498 108 A HA 0.462 4.782 4.320 -0.000 0.000 0.239 108 A C 0.644 178.186 177.584 -0.069 0.000 1.068 108 A CA 0.304 52.278 52.037 -0.106 0.000 0.766 108 A CB -0.619 18.326 19.000 -0.091 0.000 1.003 108 A HN 2.083 nan 8.150 nan 0.000 0.497 109 V N 0.160 120.037 119.914 -0.063 0.000 3.214 109 V HA 0.478 4.598 4.120 -0.000 0.000 0.306 109 V C 0.607 176.657 176.094 -0.073 0.000 1.078 109 V CA -1.172 61.089 62.300 -0.066 0.000 1.077 109 V CB 0.448 32.217 31.823 -0.090 0.000 1.121 109 V HN 0.910 nan 8.190 nan 0.000 0.468 110 c N 3.088 121.641 118.600 -0.078 0.000 2.644 110 c HA 0.397 4.967 4.570 -0.000 0.000 0.417 110 c C -1.985 172.045 174.090 -0.101 0.000 1.304 110 c CA -0.341 55.926 56.329 -0.104 0.000 2.035 110 c CB -0.355 42.104 42.510 -0.085 0.000 2.673 110 c HN 0.817 nan 8.230 nan 0.000 0.602 111 P HA 0.146 nan 4.420 nan 0.000 0.265 111 P C -0.802 176.511 177.300 0.022 0.000 1.193 111 P CA 0.593 63.639 63.100 -0.091 0.000 0.765 111 P CB 0.200 31.756 31.700 -0.240 0.000 0.823 112 Q N 0.840 120.690 119.800 0.084 0.000 2.503 112 Q HA 0.401 4.741 4.340 -0.000 0.000 0.268 112 Q C -1.686 174.410 176.000 0.159 0.000 0.982 112 Q CA -0.938 54.931 55.803 0.111 0.000 0.907 112 Q CB 1.082 29.869 28.738 0.081 0.000 1.467 112 Q HN 0.407 nan 8.270 nan 0.000 0.394 113 H N 2.242 121.345 119.070 0.055 0.000 2.457 113 H HA 0.544 5.100 4.556 -0.000 0.000 0.335 113 H C -1.294 174.052 175.328 0.031 0.000 1.115 113 H CA -0.541 55.529 56.048 0.037 0.000 1.219 113 H CB 1.144 30.923 29.762 0.029 0.000 1.471 113 H HN 0.615 nan 8.280 nan 0.000 0.491 114 L N 4.824 125.781 121.223 -0.444 0.000 2.259 114 L HA 0.245 4.585 4.340 -0.000 0.000 0.288 114 L C -0.411 176.109 176.870 -0.583 0.000 1.051 114 L CA -0.420 54.208 54.840 -0.353 0.000 0.824 114 L CB 0.622 42.578 42.059 -0.170 0.000 1.206 114 L HN 0.634 nan 8.230 nan 0.000 0.429 115 D N 2.479 122.600 120.400 -0.464 0.000 2.471 115 D HA 0.093 4.733 4.640 -0.000 0.000 0.245 115 D C 0.456 176.437 176.300 -0.532 0.000 1.116 115 D CA -0.332 53.443 54.000 -0.375 0.000 0.853 115 D CB 1.642 42.389 40.800 -0.088 0.000 1.123 115 D HN 0.484 nan 8.370 nan 0.000 0.540 116 E N 2.493 122.405 120.200 -0.479 0.000 2.481 116 E HA -0.047 4.302 4.350 -0.000 0.000 0.195 116 E C 1.625 178.158 176.600 -0.111 0.000 1.047 116 E CA 0.110 56.259 56.400 -0.419 0.000 0.867 116 E CB 0.335 29.904 29.700 -0.218 0.000 0.858 116 E HN 0.466 nan 8.360 nan 0.000 0.513 117 R N 0.036 120.491 120.500 -0.076 0.000 2.240 117 R HA 0.071 4.411 4.340 -0.000 0.000 0.203 117 R C 1.002 177.315 176.300 0.022 0.000 1.011 117 R CA 0.249 56.345 56.100 -0.006 0.000 1.007 117 R CB 0.001 30.304 30.300 0.006 0.000 0.911 117 R HN -0.130 nan 8.270 nan 0.000 0.468 118 S N 0.354 116.068 115.700 0.023 0.000 2.565 118 S HA 0.169 4.639 4.470 -0.000 0.000 0.276 118 S C 1.162 175.820 174.600 0.097 0.000 1.326 118 S CA -0.722 57.516 58.200 0.063 0.000 1.045 118 S CB 0.893 64.137 63.200 0.073 0.000 0.918 118 S HN 0.354 nan 8.310 nan 0.000 0.505 119 L N 4.388 125.655 121.223 0.072 0.000 2.179 119 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 119 L C 2.023 178.917 176.870 0.039 0.000 1.096 119 L CA 0.704 55.589 54.840 0.075 0.000 0.779 119 L CB -0.366 41.749 42.059 0.093 0.000 0.922 119 L HN 0.695 nan 8.230 nan 0.000 0.443 120 L N -0.637 120.595 121.223 0.015 0.000 2.353 120 L HA -0.218 4.122 4.340 -0.000 0.000 0.220 120 L C 2.590 179.406 176.870 -0.090 0.000 1.133 120 L CA 0.779 55.572 54.840 -0.078 0.000 0.798 120 L CB -0.654 41.370 42.059 -0.059 0.000 0.922 120 L HN 0.427 nan 8.230 nan 0.000 0.445 121 H N 0.133 119.144 119.070 -0.098 0.000 2.370 121 H HA -0.098 4.458 4.556 -0.000 0.000 0.304 121 H C 1.352 176.615 175.328 -0.109 0.000 1.055 121 H CA 1.082 57.064 56.048 -0.110 0.000 1.373 121 H CB 0.351 30.073 29.762 -0.066 0.000 1.423 121 H HN 0.275 nan 8.280 nan 0.000 0.533 122 D N 0.983 121.332 120.400 -0.085 0.000 2.218 122 D HA -0.166 4.473 4.640 -0.000 0.000 0.204 122 D C 2.264 178.476 176.300 -0.147 0.000 0.976 122 D CA 1.007 54.938 54.000 -0.115 0.000 0.853 122 D CB -0.268 40.548 40.800 0.027 0.000 0.939 122 D HN 0.489 nan 8.370 nan 0.000 0.481 123 M N 0.325 119.840 119.600 -0.141 0.000 2.296 123 M HA -0.071 4.409 4.480 -0.000 0.000 0.265 123 M C 0.303 176.489 176.300 -0.191 0.000 1.064 123 M CA 0.750 55.971 55.300 -0.133 0.000 1.109 123 M CB -0.026 32.440 32.600 -0.223 0.000 1.396 123 M HN -0.191 nan 8.290 nan 0.000 0.430 124 L N 1.824 122.827 121.223 -0.368 0.000 2.467 124 L HA 0.254 4.594 4.340 -0.000 0.000 0.270 124 L C -2.011 174.567 176.870 -0.486 0.000 1.205 124 L CA -2.181 52.328 54.840 -0.551 0.000 0.828 124 L CB -0.874 40.687 42.059 -0.831 0.000 1.101 124 L HN 0.025 nan 8.230 nan 0.000 0.479 125 P HA -0.049 nan 4.420 nan 0.000 0.267 125 P C 0.922 177.833 177.300 -0.649 0.000 1.201 125 P CA 0.166 62.825 63.100 -0.736 0.000 0.775 125 P CB 0.609 31.448 31.700 -1.434 0.000 0.854 126 I N 2.477 122.804 120.570 -0.406 0.000 2.264 126 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 126 I C 1.642 177.655 176.117 -0.173 0.000 1.111 126 I CA 1.391 62.564 61.300 -0.213 0.000 1.382 126 I CB -0.261 37.691 38.000 -0.079 0.000 1.060 126 I HN 0.498 nan 8.210 nan 0.000 0.418 127 W N -0.191 121.046 121.300 -0.105 0.000 2.476 127 W HA -0.165 4.495 4.660 -0.000 0.000 0.281 127 W C 2.114 178.468 176.519 -0.275 0.000 1.230 127 W CA 0.092 57.269 57.345 -0.280 0.000 1.287 127 W CB -1.642 27.478 29.460 -0.566 0.000 1.108 127 W HN 0.117 nan 8.180 nan 0.000 0.567 128 F N 3.081 122.552 119.950 -0.799 0.000 1.997 128 F HA -0.263 4.264 4.527 -0.000 0.000 0.296 128 F C 2.458 178.076 175.800 -0.302 0.000 1.160 128 F CA 3.843 61.456 58.000 -0.644 0.000 1.176 128 F CB -0.362 38.049 39.000 -0.982 0.000 0.964 128 F HN -0.218 nan 8.300 nan 0.000 0.484 129 T N -1.237 113.341 114.554 0.041 0.000 2.955 129 T HA 0.335 4.684 4.350 -0.000 0.000 0.251 129 T C 1.771 176.464 174.700 -0.011 0.000 1.002 129 T CA 0.292 62.425 62.100 0.054 0.000 0.970 129 T CB -0.270 68.646 68.868 0.080 0.000 1.091 129 T HN 0.289 nan 8.240 nan 0.000 0.495 130 A N 2.636 125.399 122.820 -0.096 0.000 1.986 130 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 130 A C 1.150 178.717 177.584 -0.028 0.000 1.171 130 A CA 0.951 52.949 52.037 -0.065 0.000 0.640 130 A CB -0.575 18.366 19.000 -0.098 0.000 0.811 130 A HN 0.434 nan 8.150 nan 0.000 0.451 131 N N 0.678 119.357 118.700 -0.034 0.000 2.401 131 N HA 0.344 5.084 4.740 -0.000 0.000 0.255 131 N C 0.959 176.465 175.510 -0.007 0.000 1.110 131 N CA 0.249 53.287 53.050 -0.021 0.000 0.949 131 N CB 1.294 39.764 38.487 -0.029 0.000 1.110 131 N HN 0.568 nan 8.380 nan 0.000 0.490 132 L N 1.173 122.397 121.223 0.001 0.000 2.208 132 L HA 0.192 4.532 4.340 -0.000 0.000 0.196 132 L C 1.597 178.464 176.870 -0.004 0.000 1.130 132 L CA 0.515 55.360 54.840 0.009 0.000 0.791 132 L CB -0.616 41.449 42.059 0.009 0.000 0.969 132 L HN 0.194 nan 8.230 nan 0.000 0.468 133 D N -0.689 119.704 120.400 -0.011 0.000 2.350 133 D HA -0.204 4.436 4.640 -0.000 0.000 0.216 133 D C 2.007 178.291 176.300 -0.027 0.000 0.968 133 D CA 1.464 55.452 54.000 -0.020 0.000 0.894 133 D CB -0.551 40.236 40.800 -0.021 0.000 0.909 133 D HN 0.512 nan 8.370 nan 0.000 0.520 134 T N -1.325 113.219 114.554 -0.018 0.000 3.065 134 T HA 0.086 4.436 4.350 -0.000 0.000 0.252 134 T C 1.494 176.207 174.700 0.022 0.000 1.099 134 T CA -0.020 62.071 62.100 -0.014 0.000 1.063 134 T CB -0.224 68.641 68.868 -0.005 0.000 0.948 134 T HN 0.087 nan 8.240 nan 0.000 0.506 135 L N 0.386 121.622 121.223 0.022 0.000 2.253 135 L HA 0.389 4.729 4.340 -0.000 0.000 0.205 135 L C 2.135 179.034 176.870 0.048 0.000 1.078 135 L CA 0.999 55.874 54.840 0.059 0.000 0.805 135 L CB -0.368 41.675 42.059 -0.027 0.000 0.963 135 L HN 0.126 nan 8.230 nan 0.000 0.459 136 M N -0.530 119.068 119.600 -0.004 0.000 2.195 136 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 136 M C 2.089 178.353 176.300 -0.060 0.000 1.066 136 M CA 1.773 57.059 55.300 -0.023 0.000 1.089 136 M CB -1.821 30.762 32.600 -0.028 0.000 1.377 136 M HN 0.288 nan 8.290 nan 0.000 0.411 137 T N 0.094 114.580 114.554 -0.114 0.000 2.653 137 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 137 T C 1.558 176.066 174.700 -0.320 0.000 1.037 137 T CA 1.978 63.922 62.100 -0.261 0.000 1.159 137 T CB -0.531 68.067 68.868 -0.450 0.000 0.859 137 T HN 0.384 nan 8.240 nan 0.000 0.449 138 Y N -0.635 119.601 120.300 -0.107 0.000 2.490 138 Y HA 0.293 4.843 4.550 -0.000 0.000 0.285 138 Y C 2.108 177.917 175.900 -0.152 0.000 1.117 138 Y CA -0.078 57.929 58.100 -0.156 0.000 1.262 138 Y CB 0.413 38.736 38.460 -0.229 0.000 1.043 138 Y HN 0.026 nan 8.280 nan 0.000 0.553 139 V N 0.106 120.027 119.914 0.011 0.000 3.477 139 V HA -0.042 4.078 4.120 -0.000 0.000 0.297 139 V C 1.584 177.671 176.094 -0.012 0.000 1.433 139 V CA 0.453 62.744 62.300 -0.015 0.000 1.052 139 V CB 0.363 32.176 31.823 -0.018 0.000 0.895 139 V HN 0.410 nan 8.190 nan 0.000 0.438 140 Q N 0.351 120.139 119.800 -0.020 0.000 2.187 140 Q HA -0.087 4.253 4.340 -0.000 0.000 0.199 140 Q C 0.791 176.788 176.000 -0.005 0.000 0.957 140 Q CA 1.537 57.332 55.803 -0.013 0.000 0.857 140 Q CB -0.072 28.649 28.738 -0.027 0.000 0.929 140 Q HN 0.485 nan 8.270 nan 0.000 0.453 141 D N 1.285 121.675 120.400 -0.017 0.000 2.479 141 D HA 0.133 4.773 4.640 -0.000 0.000 0.218 141 D C -1.091 175.197 176.300 -0.020 0.000 1.131 141 D CA -0.161 53.830 54.000 -0.016 0.000 0.916 141 D CB 0.487 41.271 40.800 -0.026 0.000 1.022 141 D HN 0.210 nan 8.370 nan 0.000 0.515 142 Q N 2.428 122.227 119.800 -0.001 0.000 2.306 142 Q HA 0.541 4.881 4.340 -0.000 0.000 0.265 142 Q C -0.669 175.311 176.000 -0.033 0.000 1.022 142 Q CA -1.056 54.735 55.803 -0.019 0.000 0.853 142 Q CB 2.270 31.020 28.738 0.021 0.000 1.327 142 Q HN 0.349 nan 8.270 nan 0.000 0.449 143 N N 0.698 119.318 118.700 -0.133 0.000 2.446 143 N HA -0.009 4.731 4.740 -0.000 0.000 0.272 143 N C -0.299 175.018 175.510 -0.323 0.000 1.127 143 N CA -0.096 52.845 53.050 -0.180 0.000 0.896 143 N CB 1.939 40.382 38.487 -0.073 0.000 1.658 143 N HN 0.782 nan 8.380 nan 0.000 0.483 144 E N 0.716 120.618 120.200 -0.496 0.000 2.219 144 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 144 E C -0.246 176.229 176.600 -0.208 0.000 0.998 144 E CA 0.961 57.118 56.400 -0.405 0.000 0.818 144 E CB 0.155 29.636 29.700 -0.366 0.000 0.741 144 E HN 0.391 nan 8.360 nan 0.000 0.477 145 D N -0.123 120.202 120.400 -0.124 0.000 2.416 145 D HA -0.026 4.614 4.640 -0.000 0.000 0.240 145 D C -0.132 176.223 176.300 0.091 0.000 1.250 145 D CA -0.126 53.853 54.000 -0.035 0.000 0.967 145 D CB 0.129 40.932 40.800 0.006 0.000 1.059 145 D HN 0.223 nan 8.370 nan 0.000 0.512 146 c N 2.709 121.332 118.600 0.039 0.000 3.722 146 c HA 0.366 4.936 4.570 -0.000 0.000 0.279 146 c C 0.689 174.811 174.090 0.054 0.000 1.819 146 c CA -0.684 55.737 56.329 0.154 0.000 1.744 146 c CB -1.240 41.272 42.510 0.004 0.000 3.247 146 c HN 0.444 nan 8.230 nan 0.000 0.549 147 L N 2.523 123.510 121.223 -0.394 0.000 2.384 147 L HA 0.381 4.721 4.340 -0.000 0.000 0.258 147 L C -0.961 175.185 176.870 -1.206 0.000 1.266 147 L CA 0.553 54.936 54.840 -0.762 0.000 1.162 147 L CB -0.719 40.809 42.059 -0.885 0.000 1.375 147 L HN 0.390 nan 8.230 nan 0.000 0.420 148 Y N 1.963 122.156 120.300 -0.178 0.000 2.512 148 Y HA 0.622 5.172 4.550 -0.000 0.000 0.348 148 Y C -0.094 175.929 175.900 0.205 0.000 0.990 148 Y CA -1.241 56.847 58.100 -0.019 0.000 1.033 148 Y CB 2.048 40.488 38.460 -0.033 0.000 1.259 148 Y HN 0.205 nan 8.280 nan 0.000 0.461 149 L N 0.123 121.511 121.223 0.275 0.000 2.309 149 L HA 0.772 5.112 4.340 -0.000 0.000 0.261 149 L C -1.236 175.702 176.870 0.114 0.000 1.021 149 L CA -1.172 53.765 54.840 0.162 0.000 0.823 149 L CB 1.730 43.792 42.059 0.005 0.000 1.366 149 L HN 0.440 nan 8.230 nan 0.000 0.423 150 N N 1.705 120.481 118.700 0.128 0.000 2.284 150 N HA 0.667 5.407 4.740 -0.000 0.000 0.300 150 N C -1.240 174.258 175.510 -0.021 0.000 1.047 150 N CA -0.199 52.892 53.050 0.067 0.000 0.821 150 N CB 2.603 41.212 38.487 0.204 0.000 1.337 150 N HN 0.651 nan 8.380 nan 0.000 0.482 151 I N 1.798 122.267 120.570 -0.168 0.000 2.436 151 I HA 0.335 4.505 4.170 -0.000 0.000 0.289 151 I C -1.081 174.901 176.117 -0.224 0.000 1.010 151 I CA -0.792 60.453 61.300 -0.092 0.000 1.098 151 I CB 1.111 39.036 38.000 -0.125 0.000 1.266 151 I HN 0.328 nan 8.210 nan 0.000 0.434 152 Y N 5.126 125.529 120.300 0.172 0.000 2.376 152 Y HA 0.462 5.012 4.550 -0.000 0.000 0.326 152 Y C -0.279 175.725 175.900 0.174 0.000 0.970 152 Y CA -0.888 57.305 58.100 0.155 0.000 1.248 152 Y CB 1.709 40.247 38.460 0.130 0.000 1.117 152 Y HN 0.186 nan 8.280 nan 0.000 0.476 153 V N 6.159 126.252 119.914 0.298 0.000 2.347 153 V HA 0.398 4.518 4.120 -0.000 0.000 0.280 153 V C -2.226 173.995 176.094 0.212 0.000 1.021 153 V CA -2.296 60.172 62.300 0.279 0.000 0.847 153 V CB 1.409 33.460 31.823 0.380 0.000 0.990 153 V HN 0.490 nan 8.190 nan 0.000 0.444 154 P HA 0.172 nan 4.420 nan 0.000 0.275 154 P C 0.748 178.113 177.300 0.108 0.000 1.227 154 P CA -0.088 63.088 63.100 0.126 0.000 0.781 154 P CB 1.095 32.858 31.700 0.105 0.000 0.906 155 T N -1.491 113.112 114.554 0.083 0.000 3.100 155 T HA 0.008 4.358 4.350 -0.000 0.000 0.253 155 T C 0.742 175.473 174.700 0.051 0.000 1.118 155 T CA 0.028 62.170 62.100 0.070 0.000 1.058 155 T CB -0.270 68.630 68.868 0.053 0.000 0.953 155 T HN 0.437 nan 8.240 nan 0.000 0.515 165 K N 2.680 123.102 120.400 0.037 0.000 2.276 165 K HA 0.392 4.712 4.320 -0.000 0.000 0.283 165 K C -0.306 176.327 176.600 0.054 0.000 1.044 165 K CA -0.303 56.014 56.287 0.050 0.000 0.944 165 K CB 0.721 33.249 32.500 0.046 0.000 1.012 165 K HN 0.497 nan 8.250 nan 0.000 0.472 166 K N 3.549 123.992 120.400 0.072 0.000 2.174 166 K HA 0.267 4.587 4.320 -0.000 0.000 0.275 166 K C -2.237 174.408 176.600 0.076 0.000 1.015 166 K CA -1.786 54.545 56.287 0.072 0.000 0.933 166 K CB 0.405 32.959 32.500 0.091 0.000 1.025 166 K HN 0.265 nan 8.250 nan 0.000 0.463 167 P HA -0.020 nan 4.420 nan 0.000 0.269 167 P C -0.860 176.495 177.300 0.092 0.000 1.217 167 P CA -0.242 62.895 63.100 0.062 0.000 0.783 167 P CB 0.500 32.221 31.700 0.035 0.000 0.898 168 V N 2.974 122.951 119.914 0.104 0.000 2.531 168 V HA 0.399 4.519 4.120 -0.000 0.000 0.301 168 V C 0.063 176.248 176.094 0.151 0.000 1.034 168 V CA -0.323 62.062 62.300 0.141 0.000 0.865 168 V CB 1.395 33.310 31.823 0.154 0.000 0.995 168 V HN 0.439 nan 8.190 nan 0.000 0.424 169 M N 4.882 124.597 119.600 0.193 0.000 2.167 169 M HA 0.558 5.038 4.480 -0.000 0.000 0.333 169 M C -1.109 175.480 176.300 0.481 0.000 1.030 169 M CA -0.669 54.780 55.300 0.248 0.000 0.963 169 M CB 1.987 34.625 32.600 0.063 0.000 1.589 169 M HN 0.361 nan 8.290 nan 0.000 0.431 170 V N 3.972 124.182 119.914 0.493 0.000 2.357 170 V HA 0.297 4.417 4.120 -0.000 0.000 0.284 170 V C -1.062 175.254 176.094 0.370 0.000 1.018 170 V CA -0.695 61.836 62.300 0.385 0.000 0.841 170 V CB 1.005 32.950 31.823 0.202 0.000 0.991 170 V HN 0.631 nan 8.190 nan 0.000 0.437 171 Y N 5.863 126.213 120.300 0.083 0.000 2.320 171 Y HA 0.644 5.194 4.550 -0.000 0.000 0.334 171 Y C -0.089 175.749 175.900 -0.103 0.000 1.055 171 Y CA -0.996 56.925 58.100 -0.297 0.000 1.143 171 Y CB 1.283 39.516 38.460 -0.378 0.000 1.193 171 Y HN 0.545 nan 8.280 nan 0.000 0.477 172 I N 7.405 127.525 120.570 -0.751 0.000 2.359 172 I HA 0.177 4.347 4.170 -0.000 0.000 0.284 172 I C -0.478 175.211 176.117 -0.714 0.000 1.018 172 I CA -0.927 60.064 61.300 -0.514 0.000 1.173 172 I CB 0.602 38.358 38.000 -0.408 0.000 1.326 172 I HN 0.723 nan 8.210 nan 0.000 0.462 173 H N 4.267 123.181 119.070 -0.260 0.000 2.757 173 H HA 0.554 5.110 4.556 -0.000 0.000 0.370 173 H C 0.425 175.802 175.328 0.082 0.000 1.172 173 H CA -0.347 55.669 56.048 -0.053 0.000 1.426 173 H CB 0.568 30.426 29.762 0.159 0.000 1.438 173 H HN 0.572 nan 8.280 nan 0.000 0.612 174 G N -1.056 107.906 108.800 0.270 0.000 2.583 174 G HA2 0.481 4.441 3.960 -0.000 0.000 0.280 174 G HA3 0.481 4.441 3.960 -0.000 0.000 0.280 174 G C 0.363 175.410 174.900 0.245 0.000 1.376 174 G CA -1.047 44.128 45.100 0.124 0.000 1.043 174 G HN 1.520 nan 8.290 nan 0.000 0.538 175 G N -2.291 106.422 108.800 -0.144 0.000 2.192 175 G HA2 0.187 4.147 3.960 -0.000 0.000 0.152 175 G HA3 0.187 4.147 3.960 -0.000 0.000 0.152 175 G C 0.511 175.296 174.900 -0.192 0.000 1.057 175 G CA 0.463 45.411 45.100 -0.252 0.000 0.748 175 G HN 1.725 nan 8.290 nan 0.000 0.488 176 S N -1.643 113.859 115.700 -0.329 0.000 3.445 176 S HA -0.332 4.138 4.470 -0.000 0.000 0.319 176 S C 1.135 175.608 174.600 -0.212 0.000 1.209 176 S CA 1.807 59.785 58.200 -0.370 0.000 0.934 176 S CB -1.696 61.355 63.200 -0.250 0.000 0.999 176 S HN 1.911 nan 8.310 nan 0.000 0.582 177 Y N -4.894 115.398 120.300 -0.014 0.000 4.936 177 Y HA -0.319 4.231 4.550 -0.000 0.000 0.260 177 Y C 1.319 177.324 175.900 0.176 0.000 0.928 177 Y CA 1.382 59.502 58.100 0.032 0.000 1.869 177 Y CB -1.910 36.354 38.460 -0.327 0.000 1.344 177 Y HN 0.483 nan 8.280 nan 0.000 0.521 178 M N -0.308 119.435 119.600 0.238 0.000 2.638 178 M HA 0.215 4.695 4.480 -0.000 0.000 0.256 178 M C 0.496 176.901 176.300 0.175 0.000 1.282 178 M CA 1.130 56.555 55.300 0.208 0.000 1.155 178 M CB 0.641 33.329 32.600 0.145 0.000 1.345 178 M HN 0.252 nan 8.290 nan 0.000 0.523 179 E N -1.868 118.437 120.200 0.175 0.000 2.458 179 E HA 0.694 5.044 4.350 -0.000 0.000 0.278 179 E C -0.264 176.504 176.600 0.281 0.000 1.004 179 E CA -0.872 55.641 56.400 0.187 0.000 0.823 179 E CB 1.064 30.876 29.700 0.187 0.000 1.396 179 E HN 0.120 nan 8.360 nan 0.000 0.463 180 G N -0.486 108.414 108.800 0.167 0.000 2.498 180 G HA2 0.244 4.204 3.960 -0.000 0.000 0.651 180 G HA3 0.244 4.204 3.960 -0.000 0.000 0.651 180 G C -0.780 173.754 174.900 -0.609 0.000 1.284 180 G CA -0.262 44.785 45.100 -0.089 0.000 0.950 180 G HN 0.890 nan 8.290 nan 0.000 0.511 181 T N -1.818 112.112 114.554 -1.041 0.000 2.977 181 T HA 0.628 4.978 4.350 -0.000 0.000 0.345 181 T C 1.370 175.699 174.700 -0.619 0.000 1.562 181 T CA 0.846 62.456 62.100 -0.817 0.000 1.090 181 T CB 0.903 69.523 68.868 -0.413 0.000 1.383 181 T HN 2.147 nan 8.240 nan 0.000 0.484 182 G N 2.394 111.066 108.800 -0.212 0.000 2.448 182 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 182 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 182 G C 1.177 175.961 174.900 -0.193 0.000 1.127 182 G CA 0.681 45.772 45.100 -0.015 0.000 0.766 182 G HN 0.736 nan 8.290 nan 0.000 0.552 183 N N 0.469 118.929 118.700 -0.400 0.000 2.348 183 N HA -0.052 4.688 4.740 -0.000 0.000 0.185 183 N C 2.034 177.106 175.510 -0.730 0.000 1.019 183 N CA 0.717 53.268 53.050 -0.833 0.000 0.880 183 N CB -0.293 37.461 38.487 -1.222 0.000 0.965 183 N HN 0.343 nan 8.380 nan 0.000 0.437 184 M N -0.228 118.931 119.600 -0.734 0.000 2.476 184 M HA 0.009 4.489 4.480 -0.000 0.000 0.262 184 M C -0.225 175.700 176.300 -0.624 0.000 1.079 184 M CA 0.666 55.357 55.300 -1.015 0.000 1.104 184 M CB 0.312 32.384 32.600 -0.880 0.000 1.409 184 M HN -0.091 nan 8.290 nan 0.000 0.467 185 I N 0.909 121.192 120.570 -0.479 0.000 2.330 185 I HA 0.146 4.316 4.170 -0.000 0.000 0.289 185 I C -0.344 175.506 176.117 -0.445 0.000 1.001 185 I CA -0.684 60.260 61.300 -0.593 0.000 1.193 185 I CB 0.724 38.172 38.000 -0.919 0.000 1.345 185 I HN -0.105 nan 8.210 nan 0.000 0.461 186 D N 5.279 125.440 120.400 -0.399 0.000 2.339 186 D HA 0.217 4.857 4.640 -0.000 0.000 0.241 186 D C 1.117 177.042 176.300 -0.625 0.000 1.183 186 D CA -0.081 53.701 54.000 -0.364 0.000 0.859 186 D CB 1.590 42.299 40.800 -0.151 0.000 1.067 186 D HN 0.750 nan 8.370 nan 0.000 0.484 187 G N 2.403 110.486 108.800 -1.196 0.000 3.026 187 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.208 187 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.208 187 G C 1.407 175.999 174.900 -0.513 0.000 1.169 187 G CA -0.078 44.537 45.100 -0.808 0.000 0.788 187 G HN 0.435 nan 8.290 nan 0.000 0.533 188 S N 0.571 115.987 115.700 -0.473 0.000 2.368 188 S HA -0.062 4.407 4.470 -0.000 0.000 0.225 188 S C 2.224 176.810 174.600 -0.023 0.000 1.030 188 S CA 0.644 58.794 58.200 -0.083 0.000 0.999 188 S CB -0.131 63.072 63.200 0.005 0.000 0.844 188 S HN 0.438 nan 8.310 nan 0.000 0.459 189 I N 0.869 121.401 120.570 -0.063 0.000 2.202 189 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 189 I C 2.321 178.448 176.117 0.016 0.000 1.091 189 I CA 0.752 62.031 61.300 -0.034 0.000 1.368 189 I CB -0.340 37.597 38.000 -0.105 0.000 1.058 189 I HN 0.230 nan 8.210 nan 0.000 0.410 190 L N 1.373 122.602 121.223 0.009 0.000 2.046 190 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 190 L C 2.579 179.513 176.870 0.108 0.000 1.077 190 L CA 2.150 57.016 54.840 0.044 0.000 0.747 190 L CB -0.823 41.268 42.059 0.054 0.000 0.896 190 L HN 0.190 nan 8.230 nan 0.000 0.432 191 A N -1.646 121.239 122.820 0.108 0.000 1.858 191 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 191 A C 2.538 180.190 177.584 0.115 0.000 1.190 191 A CA 2.144 54.261 52.037 0.134 0.000 0.617 191 A CB -1.224 17.883 19.000 0.179 0.000 0.827 191 A HN 0.528 nan 8.150 nan 0.000 0.443 192 S N -2.272 113.491 115.700 0.104 0.000 2.357 192 S HA -0.157 4.312 4.470 -0.000 0.000 0.221 192 S C 1.916 176.562 174.600 0.078 0.000 1.031 192 S CA 1.452 59.702 58.200 0.083 0.000 0.982 192 S CB -0.532 62.710 63.200 0.071 0.000 0.853 192 S HN 0.629 nan 8.310 nan 0.000 0.458 193 Y N 1.542 121.833 120.300 -0.015 0.000 2.181 193 Y HA 0.044 4.594 4.550 -0.000 0.000 0.288 193 Y C 2.212 178.100 175.900 -0.019 0.000 1.146 193 Y CA 1.762 59.844 58.100 -0.029 0.000 1.164 193 Y CB -0.713 37.713 38.460 -0.057 0.000 0.982 193 Y HN 0.327 nan 8.280 nan 0.000 0.515 194 G N -0.945 107.921 108.800 0.111 0.000 2.838 194 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.210 194 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.210 194 G C 0.267 175.167 174.900 0.001 0.000 1.153 194 G CA 0.443 45.572 45.100 0.048 0.000 0.778 194 G HN 0.445 nan 8.290 nan 0.000 0.539 195 N N -0.821 117.887 118.700 0.013 0.000 2.738 195 N HA -0.180 4.559 4.740 -0.000 0.000 0.249 195 N C -0.168 175.374 175.510 0.054 0.000 1.047 195 N CA 0.909 53.975 53.050 0.027 0.000 0.707 195 N CB -1.502 36.982 38.487 -0.004 0.000 0.937 195 N HN 0.750 nan 8.380 nan 0.000 0.545 196 V N -1.941 118.022 119.914 0.082 0.000 2.914 196 V HA 0.686 4.806 4.120 -0.000 0.000 0.314 196 V C 0.801 176.980 176.094 0.141 0.000 1.084 196 V CA -1.221 61.138 62.300 0.099 0.000 0.963 196 V CB 1.997 33.872 31.823 0.087 0.000 1.025 196 V HN 0.110 nan 8.190 nan 0.000 0.432 197 I N 2.748 123.412 120.570 0.157 0.000 2.471 197 I HA 0.362 4.532 4.170 -0.000 0.000 0.286 197 I C -0.308 175.948 176.117 0.232 0.000 1.079 197 I CA -0.233 61.186 61.300 0.199 0.000 1.398 197 I CB 1.435 39.547 38.000 0.187 0.000 1.403 197 I HN 0.451 nan 8.210 nan 0.000 0.530 198 V N 8.015 128.108 119.914 0.299 0.000 2.459 198 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 198 V C 0.013 176.367 176.094 0.432 0.000 1.029 198 V CA -0.482 62.039 62.300 0.368 0.000 0.874 198 V CB 1.737 33.767 31.823 0.344 0.000 0.985 198 V HN 0.464 nan 8.190 nan 0.000 0.438 199 I N 4.123 124.927 120.570 0.390 0.000 2.466 199 I HA 0.488 4.658 4.170 -0.000 0.000 0.289 199 I C 0.109 176.424 176.117 0.330 0.000 1.026 199 I CA -0.371 61.122 61.300 0.322 0.000 1.078 199 I CB 2.506 40.630 38.000 0.206 0.000 1.249 199 I HN 0.709 nan 8.210 nan 0.000 0.429 200 T N 4.281 119.028 114.554 0.321 0.000 2.859 200 T HA 0.779 5.129 4.350 -0.000 0.000 0.281 200 T C -0.498 174.331 174.700 0.215 0.000 1.005 200 T CA -0.615 61.654 62.100 0.282 0.000 1.025 200 T CB 1.838 70.867 68.868 0.268 0.000 0.977 200 T HN 0.329 nan 8.240 nan 0.000 0.458 201 I N 2.089 122.788 120.570 0.215 0.000 2.603 201 I HA 0.415 4.585 4.170 -0.000 0.000 0.300 201 I C -0.327 175.980 176.117 0.316 0.000 1.017 201 I CA -1.138 60.285 61.300 0.206 0.000 1.098 201 I CB 2.143 40.215 38.000 0.119 0.000 1.279 201 I HN 0.718 nan 8.210 nan 0.000 0.437 202 N N 4.189 123.083 118.700 0.324 0.000 2.372 202 N HA 0.574 5.314 4.740 -0.000 0.000 0.291 202 N C -1.598 174.111 175.510 0.332 0.000 1.024 202 N CA -0.577 52.624 53.050 0.252 0.000 0.873 202 N CB 1.544 40.129 38.487 0.163 0.000 1.206 202 N HN 0.428 nan 8.380 nan 0.000 0.486 203 Y N -1.414 119.023 120.300 0.229 0.000 2.581 203 Y HA 0.571 5.121 4.550 -0.000 0.000 0.345 203 Y C -0.219 175.755 175.900 0.123 0.000 1.036 203 Y CA -1.519 56.684 58.100 0.171 0.000 1.042 203 Y CB 0.869 39.403 38.460 0.123 0.000 1.289 203 Y HN 0.174 nan 8.280 nan 0.000 0.471 204 R N 1.922 122.519 120.500 0.162 0.000 2.570 204 R HA 0.385 4.725 4.340 -0.000 0.000 0.277 204 R C -1.001 175.371 176.300 0.120 0.000 1.039 204 R CA 0.033 56.159 56.100 0.042 0.000 1.065 204 R CB 0.260 30.547 30.300 -0.020 0.000 0.964 204 R HN 0.677 nan 8.270 nan 0.000 0.428 205 L N 1.602 122.894 121.223 0.116 0.000 2.333 205 L HA 0.472 4.812 4.340 -0.000 0.000 0.269 205 L C 1.166 178.223 176.870 0.311 0.000 1.010 205 L CA -0.368 54.644 54.840 0.287 0.000 0.818 205 L CB 1.859 44.014 42.059 0.160 0.000 1.306 205 L HN 0.930 nan 8.230 nan 0.000 0.430 206 G N 1.355 110.443 108.800 0.480 0.000 2.611 206 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.301 206 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.301 206 G C 0.797 175.848 174.900 0.252 0.000 1.233 206 G CA 0.582 45.883 45.100 0.335 0.000 0.993 206 G HN 0.624 nan 8.290 nan 0.000 0.553 207 I N 0.730 121.215 120.570 -0.142 0.000 2.151 207 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 207 I C 2.857 179.082 176.117 0.178 0.000 1.080 207 I CA 1.943 63.055 61.300 -0.314 0.000 1.339 207 I CB -0.417 37.317 38.000 -0.445 0.000 1.039 207 I HN 0.394 nan 8.210 nan 0.000 0.409 208 L N -0.016 121.290 121.223 0.140 0.000 2.156 208 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 208 L C 2.544 179.487 176.870 0.122 0.000 1.095 208 L CA 1.276 56.179 54.840 0.104 0.000 0.770 208 L CB -0.938 41.069 42.059 -0.087 0.000 0.914 208 L HN 0.331 nan 8.230 nan 0.000 0.439 209 G N -0.977 107.867 108.800 0.074 0.000 2.494 209 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 209 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 209 G C 0.955 175.533 174.900 -0.536 0.000 1.140 209 G CA 0.286 45.229 45.100 -0.261 0.000 0.801 209 G HN 0.338 nan 8.290 nan 0.000 0.536 210 F N -0.814 119.336 119.950 0.332 0.000 2.915 210 F HA 0.423 4.950 4.527 -0.000 0.000 0.347 210 F C 0.453 176.430 175.800 0.295 0.000 1.104 210 F CA -1.035 57.093 58.000 0.213 0.000 1.126 210 F CB 0.229 39.299 39.000 0.118 0.000 1.145 210 F HN -0.088 nan 8.300 nan 0.000 0.541 211 L N 1.381 122.907 121.223 0.504 0.000 2.525 211 L HA 0.327 4.666 4.340 -0.000 0.000 0.278 211 L C 0.318 177.314 176.870 0.210 0.000 1.218 211 L CA 0.651 55.728 54.840 0.394 0.000 0.878 211 L CB 0.636 42.719 42.059 0.041 0.000 1.127 211 L HN 0.131 nan 8.230 nan 0.000 0.492 212 S N 1.405 117.187 115.700 0.135 0.000 2.546 212 S HA 0.370 4.840 4.470 -0.000 0.000 0.272 212 S C 0.513 175.122 174.600 0.015 0.000 1.140 212 S CA -0.092 58.135 58.200 0.044 0.000 0.920 212 S CB 1.646 64.852 63.200 0.010 0.000 1.083 212 S HN 0.809 nan 8.310 nan 0.000 0.476 213 T N 0.785 115.337 114.554 -0.004 0.000 3.081 213 T HA 0.323 4.673 4.350 -0.000 0.000 0.255 213 T C 1.537 176.231 174.700 -0.010 0.000 1.113 213 T CA 0.817 62.911 62.100 -0.009 0.000 1.082 213 T CB -0.365 68.496 68.868 -0.011 0.000 0.939 213 T HN 1.928 nan 8.240 nan 0.000 0.506 214 G N 2.254 111.048 108.800 -0.009 0.000 2.148 214 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.254 214 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.254 214 G C -0.223 174.675 174.900 -0.002 0.000 0.981 214 G CA 0.518 45.612 45.100 -0.010 0.000 0.670 214 G HN 0.959 nan 8.290 nan 0.000 0.528 215 D N -3.118 117.284 120.400 0.003 0.000 2.958 215 D HA 0.413 5.053 4.640 -0.000 0.000 0.306 215 D C 0.979 177.290 176.300 0.019 0.000 1.226 215 D CA -0.472 53.534 54.000 0.010 0.000 1.032 215 D CB -0.284 40.521 40.800 0.009 0.000 1.400 215 D HN -0.108 nan 8.370 nan 0.000 0.587 216 Q N -0.705 119.110 119.800 0.025 0.000 2.451 216 Q HA 0.231 4.570 4.340 -0.000 0.000 0.206 216 Q C 1.624 177.652 176.000 0.047 0.000 0.947 216 Q CA 0.813 56.638 55.803 0.037 0.000 0.937 216 Q CB 0.226 28.985 28.738 0.036 0.000 1.025 216 Q HN 0.596 nan 8.270 nan 0.000 0.511 217 A N 1.077 123.920 122.820 0.039 0.000 1.898 217 A HA 0.180 4.500 4.320 -0.000 0.000 0.216 217 A C 1.117 178.739 177.584 0.063 0.000 1.181 217 A CA 1.368 53.431 52.037 0.043 0.000 0.620 217 A CB 0.111 19.126 19.000 0.024 0.000 0.819 217 A HN 0.219 nan 8.150 nan 0.000 0.442 218 A N -0.889 121.968 122.820 0.061 0.000 2.599 218 A HA 0.579 4.899 4.320 -0.000 0.000 0.281 218 A C 0.231 177.873 177.584 0.097 0.000 1.137 218 A CA -0.501 51.612 52.037 0.127 0.000 0.767 218 A CB 0.734 19.754 19.000 0.033 0.000 1.266 218 A HN 0.242 nan 8.150 nan 0.000 0.420 219 K N 1.426 121.884 120.400 0.097 0.000 2.366 219 K HA 0.337 4.657 4.320 -0.000 0.000 0.198 219 K C 1.154 177.658 176.600 -0.161 0.000 1.044 219 K CA 0.853 57.130 56.287 -0.017 0.000 0.973 219 K CB 0.091 32.589 32.500 -0.004 0.000 0.767 219 K HN 1.514 nan 8.250 nan 0.000 0.475 220 G N 1.409 109.987 108.800 -0.370 0.000 2.660 220 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.215 220 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.215 220 G C -0.505 173.818 174.900 -0.962 0.000 1.345 220 G CA -0.421 44.309 45.100 -0.616 0.000 0.877 220 G HN 0.194 nan 8.290 nan 0.000 0.549 221 N N -1.918 116.458 118.700 -0.541 0.000 2.782 221 N HA -0.215 4.525 4.740 -0.000 0.000 0.251 221 N C 0.947 176.175 175.510 -0.471 0.000 1.101 221 N CA 1.875 54.714 53.050 -0.350 0.000 0.764 221 N CB -1.478 36.866 38.487 -0.238 0.000 1.122 221 N HN 0.697 nan 8.380 nan 0.000 0.561 222 Y N -0.110 120.037 120.300 -0.256 0.000 2.224 222 Y HA -0.057 4.493 4.550 -0.000 0.000 0.289 222 Y C 2.589 178.331 175.900 -0.263 0.000 1.146 222 Y CA 1.531 59.503 58.100 -0.212 0.000 1.182 222 Y CB -0.746 37.627 38.460 -0.145 0.000 0.983 222 Y HN 0.248 nan 8.280 nan 0.000 0.524 223 G N 0.017 108.533 108.800 -0.473 0.000 2.422 223 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 223 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 223 G C 1.686 176.558 174.900 -0.046 0.000 1.146 223 G CA 0.995 45.953 45.100 -0.236 0.000 0.769 223 G HN 0.374 nan 8.290 nan 0.000 0.547 224 L N -0.215 120.973 121.223 -0.058 0.000 2.056 224 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 224 L C 2.849 179.692 176.870 -0.045 0.000 1.078 224 L CA 0.442 55.259 54.840 -0.038 0.000 0.749 224 L CB -0.336 41.719 42.059 -0.008 0.000 0.901 224 L HN 0.169 nan 8.230 nan 0.000 0.433 225 L N -0.523 120.664 121.223 -0.060 0.000 2.131 225 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 225 L C 2.184 179.097 176.870 0.072 0.000 1.092 225 L CA 0.848 55.675 54.840 -0.021 0.000 0.759 225 L CB -0.605 41.435 42.059 -0.032 0.000 0.903 225 L HN 0.278 nan 8.230 nan 0.000 0.435 226 D N -0.069 120.393 120.400 0.103 0.000 2.104 226 D HA -0.211 4.428 4.640 -0.000 0.000 0.194 226 D C 2.274 178.678 176.300 0.174 0.000 0.994 226 D CA 1.222 55.358 54.000 0.227 0.000 0.830 226 D CB -0.181 40.785 40.800 0.278 0.000 0.959 226 D HN 0.407 nan 8.370 nan 0.000 0.452 227 Q N 0.005 119.833 119.800 0.047 0.000 2.084 227 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 227 Q C 2.472 178.466 176.000 -0.011 0.000 0.978 227 Q CA 0.768 56.538 55.803 -0.056 0.000 0.844 227 Q CB -0.042 28.605 28.738 -0.152 0.000 0.898 227 Q HN 0.339 nan 8.270 nan 0.000 0.426 228 I N 0.409 121.011 120.570 0.054 0.000 2.179 228 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 228 I C 2.571 178.774 176.117 0.144 0.000 1.088 228 I CA 1.153 62.528 61.300 0.124 0.000 1.357 228 I CB -0.193 37.895 38.000 0.147 0.000 1.051 228 I HN 0.215 nan 8.210 nan 0.000 0.409 229 Q N 1.369 121.265 119.800 0.159 0.000 2.096 229 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 229 Q C 2.122 178.237 176.000 0.192 0.000 0.982 229 Q CA 2.355 58.292 55.803 0.225 0.000 0.850 229 Q CB -0.406 28.506 28.738 0.291 0.000 0.901 229 Q HN 0.499 nan 8.270 nan 0.000 0.422 230 A N 0.077 122.825 122.820 -0.119 0.000 1.902 230 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 230 A C 2.155 179.742 177.584 0.005 0.000 1.181 230 A CA 1.505 53.282 52.037 -0.433 0.000 0.623 230 A CB -0.792 17.621 19.000 -0.979 0.000 0.818 230 A HN 0.457 nan 8.150 nan 0.000 0.443 231 L N -1.022 120.236 121.223 0.059 0.000 2.083 231 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 231 L C 2.868 179.863 176.870 0.209 0.000 1.083 231 L CA 1.273 56.210 54.840 0.161 0.000 0.752 231 L CB -0.455 41.724 42.059 0.200 0.000 0.899 231 L HN 0.354 nan 8.230 nan 0.000 0.433 232 R N -1.054 119.576 120.500 0.216 0.000 2.073 232 R HA -0.223 4.117 4.340 -0.000 0.000 0.234 232 R C 2.110 178.564 176.300 0.256 0.000 1.134 232 R CA 2.021 58.251 56.100 0.217 0.000 0.952 232 R CB -0.656 29.776 30.300 0.220 0.000 0.850 232 R HN 0.396 nan 8.270 nan 0.000 0.433 233 W N 1.707 123.093 121.300 0.143 0.000 2.335 233 W HA -0.198 4.461 4.660 -0.000 0.000 0.311 233 W C 1.851 178.466 176.519 0.160 0.000 1.213 233 W CA 1.555 59.011 57.345 0.185 0.000 1.274 233 W CB -0.279 29.294 29.460 0.188 0.000 1.148 233 W HN -0.047 nan 8.180 nan 0.000 0.498 234 I N 0.298 121.168 120.570 0.500 0.000 2.179 234 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 234 I C 2.668 178.868 176.117 0.137 0.000 1.088 234 I CA 1.873 63.382 61.300 0.348 0.000 1.357 234 I CB -0.795 37.390 38.000 0.308 0.000 1.051 234 I HN 0.045 nan 8.210 nan 0.000 0.409 235 E N 1.179 121.459 120.200 0.134 0.000 2.118 235 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 235 E C 1.884 178.494 176.600 0.018 0.000 0.992 235 E CA 1.703 58.155 56.400 0.086 0.000 0.804 235 E CB 0.051 29.811 29.700 0.100 0.000 0.741 235 E HN 0.572 nan 8.360 nan 0.000 0.458 236 E N -0.615 119.563 120.200 -0.036 0.000 2.318 236 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 236 E C 1.538 178.016 176.600 -0.204 0.000 0.998 236 E CA 0.359 56.694 56.400 -0.108 0.000 0.859 236 E CB 0.230 29.863 29.700 -0.112 0.000 0.812 236 E HN 0.220 nan 8.360 nan 0.000 0.492 237 N N -0.436 118.074 118.700 -0.317 0.000 2.257 237 N HA -0.003 4.737 4.740 -0.000 0.000 0.200 237 N C 1.469 176.960 175.510 -0.032 0.000 1.163 237 N CA 0.155 52.977 53.050 -0.381 0.000 0.891 237 N CB 0.966 38.789 38.487 -1.107 0.000 1.067 237 N HN -0.043 nan 8.380 nan 0.000 0.497 238 V N 1.609 121.557 119.914 0.057 0.000 2.626 238 V HA -0.074 4.046 4.120 -0.000 0.000 0.252 238 V C 2.212 178.458 176.094 0.253 0.000 1.067 238 V CA 1.968 64.414 62.300 0.243 0.000 1.081 238 V CB -0.752 31.173 31.823 0.171 0.000 0.686 238 V HN 0.290 nan 8.190 nan 0.000 0.468 239 G N -0.326 108.544 108.800 0.117 0.000 2.469 239 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 239 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 239 G C 1.715 176.639 174.900 0.041 0.000 1.136 239 G CA 0.971 46.112 45.100 0.069 0.000 0.759 239 G HN 0.718 nan 8.290 nan 0.000 0.562 240 A N 0.012 122.823 122.820 -0.015 0.000 2.070 240 A HA 0.201 4.521 4.320 -0.000 0.000 0.220 240 A C 1.839 179.241 177.584 -0.303 0.000 1.159 240 A CA 0.911 52.829 52.037 -0.198 0.000 0.656 240 A CB -0.398 18.392 19.000 -0.350 0.000 0.800 240 A HN 0.361 nan 8.150 nan 0.000 0.453 241 F N -1.024 118.921 119.950 -0.009 0.000 2.765 241 F HA 0.368 4.894 4.527 -0.000 0.000 0.302 241 F C 1.746 177.583 175.800 0.062 0.000 1.111 241 F CA 0.609 58.621 58.000 0.021 0.000 1.359 241 F CB 0.214 39.236 39.000 0.036 0.000 1.097 241 F HN 0.326 nan 8.300 nan 0.000 0.577 242 G N 0.448 109.351 108.800 0.172 0.000 2.132 242 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.234 242 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.234 242 G C 0.511 175.493 174.900 0.138 0.000 0.989 242 G CA -0.255 44.923 45.100 0.130 0.000 0.676 242 G HN 0.719 nan 8.290 nan 0.000 0.522 243 G N -0.788 108.111 108.800 0.165 0.000 2.451 243 G HA2 0.517 4.477 3.960 -0.000 0.000 0.303 243 G HA3 0.517 4.477 3.960 -0.000 0.000 0.303 243 G C -0.949 174.014 174.900 0.105 0.000 1.166 243 G CA 0.129 45.315 45.100 0.143 0.000 0.884 243 G HN 0.223 nan 8.290 nan 0.000 0.514 244 D N 0.935 121.390 120.400 0.091 0.000 2.454 244 D HA 0.328 4.968 4.640 -0.000 0.000 0.225 244 D C -1.332 175.014 176.300 0.077 0.000 1.081 244 D CA -2.354 51.688 54.000 0.070 0.000 0.864 244 D CB 2.033 42.866 40.800 0.056 0.000 1.040 244 D HN 0.012 nan 8.370 nan 0.000 0.517 245 P HA -0.090 nan 4.420 nan 0.000 0.225 245 P C 0.508 177.855 177.300 0.078 0.000 1.148 245 P CA 0.764 63.912 63.100 0.081 0.000 0.779 245 P CB 0.333 32.070 31.700 0.063 0.000 0.780 246 K N -0.503 119.933 120.400 0.060 0.000 2.444 246 K HA 0.096 4.416 4.320 -0.000 0.000 0.193 246 K C 0.957 177.588 176.600 0.052 0.000 1.024 246 K CA 0.276 56.594 56.287 0.051 0.000 1.077 246 K CB 0.185 32.705 32.500 0.032 0.000 0.833 246 K HN 0.067 nan 8.250 nan 0.000 0.517 247 R N 1.246 121.782 120.500 0.061 0.000 2.738 247 R HA 0.218 4.558 4.340 -0.000 0.000 0.280 247 R C -1.312 175.036 176.300 0.079 0.000 1.456 247 R CA -0.210 55.921 56.100 0.052 0.000 1.612 247 R CB 1.262 31.579 30.300 0.028 0.000 1.286 247 R HN -0.125 nan 8.270 nan 0.000 0.660 248 V N 1.335 121.322 119.914 0.120 0.000 2.370 248 V HA 0.312 4.432 4.120 -0.000 0.000 0.279 248 V C 0.340 176.542 176.094 0.179 0.000 1.029 248 V CA -0.285 62.112 62.300 0.162 0.000 0.870 248 V CB 1.833 33.782 31.823 0.210 0.000 0.984 248 V HN 0.324 nan 8.190 nan 0.000 0.451 249 T N 6.542 121.174 114.554 0.131 0.000 2.794 249 T HA 0.635 4.985 4.350 -0.000 0.000 0.280 249 T C -0.144 174.627 174.700 0.117 0.000 0.987 249 T CA -0.179 61.983 62.100 0.104 0.000 0.993 249 T CB 1.035 69.929 68.868 0.044 0.000 0.939 249 T HN 0.629 nan 8.240 nan 0.000 0.449 250 I N 1.430 121.989 120.570 -0.020 0.000 2.498 250 I HA 0.915 5.085 4.170 -0.000 0.000 0.301 250 I C -0.867 175.364 176.117 0.190 0.000 0.984 250 I CA -1.045 60.245 61.300 -0.015 0.000 1.204 250 I CB 1.207 38.929 38.000 -0.464 0.000 1.362 250 I HN 0.543 nan 8.210 nan 0.000 0.471 251 F N 2.447 122.388 119.950 -0.015 0.000 2.668 251 F HA 1.003 5.530 4.527 -0.000 0.000 0.309 251 F C -0.536 175.282 175.800 0.030 0.000 1.117 251 F CA -1.203 56.840 58.000 0.072 0.000 0.951 251 F CB 1.283 40.403 39.000 0.201 0.000 1.323 251 F HN 0.861 nan 8.300 nan 0.000 0.451 252 G N 0.152 108.952 108.800 -0.000 0.000 2.601 252 G HA2 0.541 4.501 3.960 -0.000 0.000 0.291 252 G HA3 0.541 4.501 3.960 -0.000 0.000 0.291 252 G C -2.244 172.688 174.900 0.053 0.000 1.456 252 G CA -0.694 44.235 45.100 -0.285 0.000 0.804 252 G HN 0.897 nan 8.290 nan 0.000 0.499 253 S N -0.805 114.935 115.700 0.067 0.000 2.513 253 S HA 0.777 5.247 4.470 -0.000 0.000 0.299 253 S C 0.962 175.620 174.600 0.098 0.000 1.087 253 S CA 1.277 59.587 58.200 0.184 0.000 1.012 253 S CB 1.008 64.402 63.200 0.323 0.000 1.044 253 S HN 2.635 nan 8.310 nan 0.000 0.485 254 G N 3.348 112.232 108.800 0.140 0.000 2.561 254 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.289 254 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.289 254 G C 1.177 176.081 174.900 0.006 0.000 1.169 254 G CA 0.467 45.672 45.100 0.174 0.000 0.980 254 G HN 1.700 nan 8.290 nan 0.000 0.550 255 A N 0.017 122.728 122.820 -0.182 0.000 2.019 255 A HA 0.282 4.601 4.320 -0.000 0.000 0.219 255 A C 2.869 180.285 177.584 -0.280 0.000 1.164 255 A CA 2.522 54.299 52.037 -0.433 0.000 0.644 255 A CB -1.054 17.456 19.000 -0.818 0.000 0.805 255 A HN 2.153 nan 8.150 nan 0.000 0.449 256 G N -0.545 108.147 108.800 -0.180 0.000 2.408 256 G HA2 0.038 3.998 3.960 -0.000 0.000 0.217 256 G HA3 0.038 3.998 3.960 -0.000 0.000 0.217 256 G C 1.668 176.473 174.900 -0.159 0.000 1.150 256 G CA 1.212 46.186 45.100 -0.210 0.000 0.776 256 G HN 0.742 nan 8.290 nan 0.000 0.542 257 A N 0.779 123.560 122.820 -0.065 0.000 1.930 257 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 257 A C 2.683 180.269 177.584 0.002 0.000 1.175 257 A CA 2.060 54.096 52.037 -0.002 0.000 0.627 257 A CB -0.499 18.550 19.000 0.081 0.000 0.815 257 A HN 0.288 nan 8.150 nan 0.000 0.443 258 S N -0.676 115.025 115.700 0.002 0.000 2.368 258 S HA -0.207 4.263 4.470 -0.000 0.000 0.225 258 S C 1.946 176.573 174.600 0.044 0.000 1.030 258 S CA 1.462 59.687 58.200 0.040 0.000 0.999 258 S CB -0.708 62.534 63.200 0.071 0.000 0.844 258 S HN 0.726 nan 8.310 nan 0.000 0.459 259 C N 0.989 120.295 119.300 0.010 0.000 2.432 259 C HA -0.010 4.450 4.460 -0.000 0.000 0.277 259 C C 2.669 177.615 174.990 -0.073 0.000 1.249 259 C CA 0.335 59.337 59.018 -0.026 0.000 1.725 259 C CB -1.342 26.315 27.740 -0.137 0.000 2.028 259 C HN 0.407 nan 8.230 nan 0.000 0.477 260 V N 1.290 121.140 119.914 -0.107 0.000 2.282 260 V HA -0.252 3.867 4.120 -0.000 0.000 0.249 260 V C 2.492 178.552 176.094 -0.057 0.000 1.057 260 V CA 2.591 64.811 62.300 -0.132 0.000 1.032 260 V CB -0.915 30.831 31.823 -0.128 0.000 0.645 260 V HN 0.594 nan 8.190 nan 0.000 0.447 261 S N 0.044 115.745 115.700 0.001 0.000 2.370 261 S HA -0.163 4.307 4.470 -0.000 0.000 0.226 261 S C 1.896 176.534 174.600 0.063 0.000 1.033 261 S CA 1.638 59.876 58.200 0.062 0.000 1.011 261 S CB -0.422 62.819 63.200 0.068 0.000 0.852 261 S HN 0.475 nan 8.310 nan 0.000 0.457 262 L N 0.938 122.182 121.223 0.034 0.000 2.093 262 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 262 L C 2.218 179.121 176.870 0.056 0.000 1.085 262 L CA 0.907 55.764 54.840 0.028 0.000 0.755 262 L CB -0.550 41.515 42.059 0.010 0.000 0.904 262 L HN 0.280 nan 8.230 nan 0.000 0.435 263 L N -0.495 120.762 121.223 0.057 0.000 2.093 263 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 263 L C 2.799 179.817 176.870 0.247 0.000 1.085 263 L CA 1.716 56.636 54.840 0.133 0.000 0.755 263 L CB -1.046 41.062 42.059 0.083 0.000 0.904 263 L HN 0.456 nan 8.230 nan 0.000 0.435 264 T N -2.110 112.566 114.554 0.204 0.000 2.929 264 T HA -0.133 4.217 4.350 -0.000 0.000 0.271 264 T C 1.518 176.430 174.700 0.352 0.000 1.085 264 T CA 0.976 63.241 62.100 0.275 0.000 1.125 264 T CB -0.287 68.771 68.868 0.316 0.000 0.874 264 T HN 0.317 nan 8.240 nan 0.000 0.494 265 L N 0.577 121.905 121.223 0.174 0.000 2.640 265 L HA 0.367 4.707 4.340 -0.000 0.000 0.230 265 L C 1.110 177.997 176.870 0.028 0.000 1.123 265 L CA -0.329 54.542 54.840 0.052 0.000 0.900 265 L CB 0.285 42.314 42.059 -0.051 0.000 1.146 265 L HN 0.153 nan 8.230 nan 0.000 0.484 266 S N -1.117 114.646 115.700 0.104 0.000 2.462 266 S HA 0.225 4.694 4.470 -0.000 0.000 0.294 266 S C 1.219 175.910 174.600 0.152 0.000 1.144 266 S CA -0.601 57.683 58.200 0.141 0.000 1.088 266 S CB 0.590 63.915 63.200 0.208 0.000 1.009 266 S HN 0.225 nan 8.310 nan 0.000 0.484 267 H N 3.950 123.129 119.070 0.181 0.000 2.460 267 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 267 H C 0.852 176.211 175.328 0.051 0.000 1.103 267 H CA 1.854 57.952 56.048 0.083 0.000 1.292 267 H CB -0.041 29.721 29.762 0.000 0.000 1.376 267 H HN 0.777 nan 8.280 nan 0.000 0.531 268 Y N 0.476 120.880 120.300 0.174 0.000 2.421 268 Y HA -0.126 4.424 4.550 -0.000 0.000 0.292 268 Y C 2.604 178.576 175.900 0.119 0.000 1.136 268 Y CA 0.857 59.036 58.100 0.131 0.000 1.255 268 Y CB 0.220 38.748 38.460 0.113 0.000 0.991 268 Y HN 0.054 nan 8.280 nan 0.000 0.552 269 S N -0.586 115.272 115.700 0.265 0.000 2.527 269 S HA -0.041 4.429 4.470 -0.000 0.000 0.222 269 S C 0.344 174.945 174.600 0.001 0.000 0.985 269 S CA 0.042 58.346 58.200 0.173 0.000 0.921 269 S CB -0.276 63.056 63.200 0.221 0.000 0.772 269 S HN 0.398 nan 8.310 nan 0.000 0.529 270 E N 0.690 120.925 120.200 0.057 0.000 2.415 270 E HA 0.306 4.656 4.350 -0.000 0.000 0.263 270 E C 1.094 177.688 176.600 -0.011 0.000 0.995 270 E CA 0.469 56.879 56.400 0.016 0.000 0.915 270 E CB 0.209 29.939 29.700 0.049 0.000 0.951 270 E HN 0.336 nan 8.360 nan 0.000 0.449 271 G N 2.766 111.541 108.800 -0.041 0.000 2.179 271 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 271 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 271 G C 0.621 175.527 174.900 0.009 0.000 0.977 271 G CA 0.285 45.377 45.100 -0.012 0.000 0.641 271 G HN 0.515 nan 8.290 nan 0.000 0.533 272 L N -1.128 120.079 121.223 -0.027 0.000 2.609 272 L HA 0.512 4.852 4.340 -0.000 0.000 0.230 272 L C 0.824 177.828 176.870 0.223 0.000 1.087 272 L CA 0.521 55.421 54.840 0.101 0.000 0.874 272 L CB 0.061 42.231 42.059 0.186 0.000 1.114 272 L HN 0.468 nan 8.230 nan 0.000 0.488 273 F N -3.716 116.322 119.950 0.146 0.000 2.741 273 F HA 0.479 5.006 4.527 -0.000 0.000 0.311 273 F C -0.155 175.779 175.800 0.223 0.000 1.149 273 F CA -0.927 57.150 58.000 0.127 0.000 0.930 273 F CB 1.120 40.154 39.000 0.058 0.000 1.312 273 F HN -0.350 nan 8.300 nan 0.000 0.450 274 Q N 0.225 120.273 119.800 0.413 0.000 2.245 274 Q HA 0.406 4.746 4.340 -0.000 0.000 0.250 274 Q C -0.954 175.296 176.000 0.417 0.000 0.830 274 Q CA 0.239 56.254 55.803 0.354 0.000 0.950 274 Q CB 1.137 29.970 28.738 0.157 0.000 1.124 274 Q HN 0.604 nan 8.270 nan 0.000 0.502 275 K N -0.362 120.265 120.400 0.378 0.000 2.508 275 K HA 0.859 5.179 4.320 -0.000 0.000 0.260 275 K C -1.500 175.234 176.600 0.224 0.000 0.949 275 K CA -0.843 55.594 56.287 0.249 0.000 0.834 275 K CB 2.438 34.911 32.500 -0.045 0.000 1.365 275 K HN -0.010 nan 8.250 nan 0.000 0.437 276 A N 2.286 125.239 122.820 0.222 0.000 2.449 276 A HA 0.739 5.059 4.320 -0.000 0.000 0.302 276 A C -1.186 176.423 177.584 0.042 0.000 1.048 276 A CA -0.739 51.329 52.037 0.052 0.000 0.708 276 A CB 0.765 19.719 19.000 -0.077 0.000 1.274 276 A HN 0.662 nan 8.150 nan 0.000 0.410 277 I N 2.361 122.927 120.570 -0.006 0.000 2.389 277 I HA 0.406 4.576 4.170 -0.000 0.000 0.288 277 I C -0.934 175.205 176.117 0.038 0.000 0.999 277 I CA -0.238 60.987 61.300 -0.125 0.000 1.129 277 I CB 1.676 39.502 38.000 -0.289 0.000 1.288 277 I HN 0.477 nan 8.210 nan 0.000 0.444 278 I N 6.380 126.951 120.570 0.002 0.000 2.464 278 I HA 0.265 4.435 4.170 -0.000 0.000 0.277 278 I C -0.554 175.618 176.117 0.091 0.000 1.040 278 I CA -0.427 60.898 61.300 0.043 0.000 1.153 278 I CB 1.096 39.093 38.000 -0.005 0.000 1.274 278 I HN 0.537 nan 8.210 nan 0.000 0.469 279 Q N 4.423 124.342 119.800 0.197 0.000 2.368 279 Q HA 0.360 4.700 4.340 -0.000 0.000 0.256 279 Q C 0.154 176.282 176.000 0.213 0.000 0.980 279 Q CA -0.498 55.471 55.803 0.275 0.000 0.887 279 Q CB 1.402 30.377 28.738 0.395 0.000 1.221 279 Q HN 0.651 nan 8.270 nan 0.000 0.458 280 S N 1.141 116.948 115.700 0.178 0.000 3.628 280 S HA -0.144 4.326 4.470 -0.000 0.000 0.373 280 S C 0.019 174.920 174.600 0.500 0.000 0.968 280 S CA 0.502 58.878 58.200 0.293 0.000 1.215 280 S CB -1.183 62.139 63.200 0.204 0.000 0.912 280 S HN 0.993 nan 8.310 nan 0.000 0.495 281 G N -0.447 108.559 108.800 0.342 0.000 2.579 281 G HA2 0.684 4.644 3.960 -0.000 0.000 0.292 281 G HA3 0.684 4.644 3.960 -0.000 0.000 0.292 281 G C -0.857 174.121 174.900 0.130 0.000 1.484 281 G CA 0.242 45.496 45.100 0.257 0.000 0.813 281 G HN 0.979 nan 8.290 nan 0.000 0.515 282 T N -2.538 112.059 114.554 0.071 0.000 2.787 282 T HA 0.694 5.044 4.350 -0.000 0.000 0.297 282 T C 0.971 175.686 174.700 0.025 0.000 1.221 282 T CA 0.419 62.542 62.100 0.039 0.000 1.006 282 T CB 1.509 70.381 68.868 0.007 0.000 1.328 282 T HN 1.773 nan 8.240 nan 0.000 0.509 283 A N -0.161 122.672 122.820 0.021 0.000 2.238 283 A HA 0.426 4.745 4.320 -0.000 0.000 0.208 283 A C 1.667 179.240 177.584 -0.018 0.000 1.177 283 A CA 0.208 52.252 52.037 0.011 0.000 0.804 283 A CB -0.789 18.214 19.000 0.006 0.000 0.823 283 A HN 0.734 nan 8.150 nan 0.000 0.482 284 L N -0.071 121.118 121.223 -0.057 0.000 2.638 284 L HA 0.108 4.448 4.340 -0.000 0.000 0.232 284 L C 1.087 177.831 176.870 -0.211 0.000 1.099 284 L CA 0.207 54.986 54.840 -0.101 0.000 0.883 284 L CB 0.096 42.096 42.059 -0.099 0.000 1.136 284 L HN 0.415 nan 8.230 nan 0.000 0.492 285 S N -0.623 114.908 115.700 -0.282 0.000 2.600 285 S HA 0.041 4.510 4.470 -0.000 0.000 0.265 285 S C 1.466 175.754 174.600 -0.521 0.000 1.325 285 S CA -0.031 57.840 58.200 -0.550 0.000 1.002 285 S CB 1.366 64.137 63.200 -0.714 0.000 0.921 285 S HN 0.284 nan 8.310 nan 0.000 0.554 286 S N 0.133 115.362 115.700 -0.785 0.000 2.419 286 S HA -0.140 4.330 4.470 -0.000 0.000 0.235 286 S C 1.154 175.496 174.600 -0.430 0.000 1.019 286 S CA 1.042 58.852 58.200 -0.649 0.000 0.982 286 S CB -0.883 61.770 63.200 -0.911 0.000 0.789 286 S HN 1.011 nan 8.310 nan 0.000 0.490 287 W N 0.762 121.897 121.300 -0.275 0.000 3.316 287 W HA 0.807 5.467 4.660 -0.000 0.000 0.327 287 W C 1.724 178.223 176.519 -0.032 0.000 1.232 287 W CA -1.051 56.202 57.345 -0.152 0.000 1.805 287 W CB -0.782 28.580 29.460 -0.163 0.000 1.090 287 W HN 0.265 nan 8.180 nan 0.000 0.654 288 A N 0.603 123.543 122.820 0.200 0.000 1.930 288 A HA 0.268 4.588 4.320 -0.000 0.000 0.215 288 A C 0.679 178.300 177.584 0.063 0.000 1.176 288 A CA 1.232 53.392 52.037 0.206 0.000 0.632 288 A CB -0.376 18.671 19.000 0.078 0.000 0.819 288 A HN 0.037 nan 8.150 nan 0.000 0.445 289 V N 0.462 120.341 119.914 -0.058 0.000 2.789 289 V HA 0.322 4.442 4.120 -0.000 0.000 0.311 289 V C -1.070 174.848 176.094 -0.293 0.000 1.073 289 V CA -1.025 61.107 62.300 -0.281 0.000 0.921 289 V CB 1.830 33.383 31.823 -0.450 0.000 1.009 289 V HN 0.420 nan 8.190 nan 0.000 0.426 290 N N 2.007 120.501 118.700 -0.343 0.000 2.462 290 N HA 0.287 5.027 4.740 -0.000 0.000 0.242 290 N C -0.196 175.138 175.510 -0.294 0.000 1.010 290 N CA -0.183 52.745 53.050 -0.203 0.000 0.939 290 N CB 0.596 38.986 38.487 -0.162 0.000 1.127 290 N HN 0.577 nan 8.380 nan 0.000 0.509 291 Y N 1.323 121.627 120.300 0.008 0.000 2.490 291 Y HA 0.176 4.726 4.550 -0.000 0.000 0.281 291 Y C 0.529 176.417 175.900 -0.021 0.000 1.174 291 Y CA 0.347 58.439 58.100 -0.013 0.000 1.295 291 Y CB 0.465 38.914 38.460 -0.018 0.000 1.062 291 Y HN 0.501 nan 8.280 nan 0.000 0.522 292 Q N 0.292 120.143 119.800 0.085 0.000 2.506 292 Q HA 0.156 4.496 4.340 -0.000 0.000 0.380 292 Q C -2.044 173.957 176.000 0.002 0.000 0.867 292 Q CA -1.373 54.441 55.803 0.017 0.000 1.093 292 Q CB 0.873 29.590 28.738 -0.036 0.000 1.388 292 Q HN 0.170 nan 8.270 nan 0.000 0.400 293 P HA -0.186 nan 4.420 nan 0.000 0.216 293 P C 1.181 178.454 177.300 -0.046 0.000 1.153 293 P CA 1.318 64.403 63.100 -0.024 0.000 0.848 293 P CB 0.318 31.999 31.700 -0.032 0.000 0.787 294 A N 0.805 123.592 122.820 -0.055 0.000 1.940 294 A HA -0.226 4.093 4.320 -0.000 0.000 0.219 294 A C 2.425 179.948 177.584 -0.101 0.000 1.176 294 A CA 2.127 54.129 52.037 -0.058 0.000 0.631 294 A CB -1.345 17.624 19.000 -0.052 0.000 0.814 294 A HN 0.173 nan 8.150 nan 0.000 0.446 295 K N -1.575 118.705 120.400 -0.199 0.000 2.009 295 K HA -0.213 4.106 4.320 -0.000 0.000 0.210 295 K C 1.782 178.187 176.600 -0.325 0.000 1.049 295 K CA 2.055 58.138 56.287 -0.340 0.000 0.929 295 K CB -0.358 31.771 32.500 -0.617 0.000 0.714 295 K HN 0.519 nan 8.250 nan 0.000 0.440 296 Y N 0.690 120.902 120.300 -0.146 0.000 2.395 296 Y HA -0.051 4.499 4.550 -0.000 0.000 0.293 296 Y C 2.500 178.357 175.900 -0.072 0.000 1.123 296 Y CA 1.181 59.163 58.100 -0.196 0.000 1.227 296 Y CB -0.433 37.745 38.460 -0.470 0.000 1.012 296 Y HN 0.114 nan 8.280 nan 0.000 0.552 297 T N -0.314 114.289 114.554 0.082 0.000 2.821 297 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 297 T C 1.988 176.758 174.700 0.116 0.000 1.046 297 T CA 1.473 63.682 62.100 0.181 0.000 1.139 297 T CB -0.138 68.793 68.868 0.106 0.000 0.871 297 T HN 0.108 nan 8.240 nan 0.000 0.454 298 R N 1.183 121.709 120.500 0.044 0.000 2.066 298 R HA 0.088 4.428 4.340 -0.000 0.000 0.232 298 R C 2.194 178.521 176.300 0.045 0.000 1.131 298 R CA 1.327 57.440 56.100 0.022 0.000 0.955 298 R CB -0.808 29.479 30.300 -0.022 0.000 0.851 298 R HN 0.400 nan 8.270 nan 0.000 0.432 299 I N 0.339 120.943 120.570 0.056 0.000 2.163 299 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 299 I C 2.127 178.317 176.117 0.122 0.000 1.085 299 I CA 1.057 62.407 61.300 0.084 0.000 1.347 299 I CB -0.395 37.673 38.000 0.114 0.000 1.044 299 I HN 0.232 nan 8.210 nan 0.000 0.408 300 L N 1.271 122.607 121.223 0.188 0.000 2.012 300 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 300 L C 2.566 179.504 176.870 0.114 0.000 1.073 300 L CA 2.262 57.213 54.840 0.186 0.000 0.748 300 L CB -0.763 41.467 42.059 0.285 0.000 0.891 300 L HN 0.186 nan 8.230 nan 0.000 0.431 301 A N -0.901 121.978 122.820 0.099 0.000 1.933 301 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 301 A C 1.972 179.586 177.584 0.049 0.000 1.175 301 A CA 1.882 53.959 52.037 0.066 0.000 0.628 301 A CB -0.840 18.189 19.000 0.050 0.000 0.814 301 A HN 0.556 nan 8.150 nan 0.000 0.444 302 D N -0.231 120.197 120.400 0.046 0.000 2.117 302 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 302 D C 1.857 178.177 176.300 0.034 0.000 0.982 302 D CA 1.171 55.191 54.000 0.034 0.000 0.828 302 D CB -0.271 40.546 40.800 0.027 0.000 0.967 302 D HN 0.447 nan 8.370 nan 0.000 0.464 303 K N 0.040 120.466 120.400 0.044 0.000 2.209 303 K HA -0.034 4.286 4.320 -0.000 0.000 0.204 303 K C 1.311 177.927 176.600 0.028 0.000 1.048 303 K CA 0.494 56.803 56.287 0.037 0.000 0.940 303 K CB 0.316 32.844 32.500 0.047 0.000 0.729 303 K HN 0.035 nan 8.250 nan 0.000 0.451 304 V N -0.261 119.673 119.914 0.033 0.000 3.427 304 V HA 0.135 4.255 4.120 -0.000 0.000 0.305 304 V C 0.745 176.853 176.094 0.024 0.000 1.412 304 V CA 0.597 62.913 62.300 0.027 0.000 1.086 304 V CB 0.669 32.514 31.823 0.038 0.000 0.964 304 V HN 0.547 nan 8.190 nan 0.000 0.439 305 G N 0.043 108.857 108.800 0.023 0.000 2.132 305 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.228 305 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.228 305 G C 0.179 175.092 174.900 0.022 0.000 1.000 305 G CA 0.061 45.172 45.100 0.019 0.000 0.693 305 G HN 0.485 nan 8.290 nan 0.000 0.515 306 C N 1.617 120.933 119.300 0.028 0.000 2.494 306 C HA 0.358 4.818 4.460 -0.000 0.000 0.424 306 C C 1.481 176.485 174.990 0.024 0.000 1.188 306 C CA -0.750 58.285 59.018 0.029 0.000 1.620 306 C CB -1.029 26.734 27.740 0.038 0.000 1.706 306 C HN 0.520 nan 8.230 nan 0.000 0.543 307 N N 1.048 119.759 118.700 0.018 0.000 2.398 307 N HA 0.020 4.760 4.740 -0.000 0.000 0.188 307 N C 0.238 175.755 175.510 0.011 0.000 1.122 307 N CA 0.219 53.278 53.050 0.014 0.000 0.866 307 N CB 0.114 38.608 38.487 0.012 0.000 0.970 307 N HN 0.522 nan 8.380 nan 0.000 0.462 308 M N 0.540 120.148 119.600 0.013 0.000 2.245 308 M HA -0.052 4.428 4.480 -0.000 0.000 0.335 308 M C 1.290 177.595 176.300 0.008 0.000 1.155 308 M CA 0.097 55.403 55.300 0.011 0.000 1.055 308 M CB 0.392 33.000 32.600 0.013 0.000 1.670 308 M HN -0.159 nan 8.290 nan 0.000 0.447 309 L N 0.561 121.787 121.223 0.006 0.000 2.270 309 L HA 0.064 4.404 4.340 -0.000 0.000 0.210 309 L C 0.771 177.643 176.870 0.004 0.000 1.104 309 L CA 1.082 55.924 54.840 0.003 0.000 0.804 309 L CB -0.772 41.288 42.059 0.001 0.000 0.937 309 L HN 0.736 nan 8.230 nan 0.000 0.450 310 D N -0.328 120.076 120.400 0.007 0.000 2.401 310 D HA -0.058 4.582 4.640 -0.000 0.000 0.254 310 D C 1.184 177.489 176.300 0.009 0.000 1.192 310 D CA 0.593 54.598 54.000 0.008 0.000 0.885 310 D CB 1.509 42.316 40.800 0.011 0.000 1.147 310 D HN 0.274 nan 8.370 nan 0.000 0.478 311 T N 0.552 115.111 114.554 0.008 0.000 2.904 311 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 311 T C 1.786 176.493 174.700 0.011 0.000 1.059 311 T CA 1.089 63.193 62.100 0.006 0.000 1.137 311 T CB -0.235 68.635 68.868 0.003 0.000 0.879 311 T HN 0.345 nan 8.240 nan 0.000 0.467 312 T N 2.131 116.696 114.554 0.018 0.000 2.746 312 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 312 T C 1.640 176.357 174.700 0.028 0.000 1.039 312 T CA 1.496 63.611 62.100 0.025 0.000 1.142 312 T CB -0.512 68.372 68.868 0.026 0.000 0.866 312 T HN 0.419 nan 8.240 nan 0.000 0.444 313 D N 0.768 121.182 120.400 0.023 0.000 2.144 313 D HA -0.004 4.636 4.640 -0.000 0.000 0.200 313 D C 1.946 178.263 176.300 0.028 0.000 0.978 313 D CA 0.632 54.647 54.000 0.025 0.000 0.833 313 D CB -0.361 40.451 40.800 0.020 0.000 0.961 313 D HN 0.327 nan 8.370 nan 0.000 0.470 314 M N 0.447 120.060 119.600 0.022 0.000 2.117 314 M HA -0.154 4.325 4.480 -0.000 0.000 0.262 314 M C 1.815 178.131 176.300 0.028 0.000 1.065 314 M CA 1.218 56.531 55.300 0.022 0.000 1.114 314 M CB 0.118 32.725 32.600 0.011 0.000 1.361 314 M HN -0.157 nan 8.290 nan 0.000 0.408 315 V N 0.596 120.522 119.914 0.020 0.000 2.307 315 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 315 V C 2.260 178.425 176.094 0.118 0.000 1.045 315 V CA 2.220 64.538 62.300 0.030 0.000 1.024 315 V CB -0.862 30.968 31.823 0.011 0.000 0.651 315 V HN 0.518 nan 8.190 nan 0.000 0.449 316 E N -0.387 119.866 120.200 0.087 0.000 2.110 316 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 316 E C 2.191 178.838 176.600 0.078 0.000 0.988 316 E CA 1.727 58.177 56.400 0.084 0.000 0.804 316 E CB -0.797 28.936 29.700 0.055 0.000 0.745 316 E HN 0.578 nan 8.360 nan 0.000 0.458 317 C N -0.239 119.100 119.300 0.066 0.000 2.413 317 C HA -0.091 4.369 4.460 -0.000 0.000 0.276 317 C C 2.554 177.594 174.990 0.085 0.000 1.236 317 C CA 0.937 59.991 59.018 0.060 0.000 1.735 317 C CB -1.252 26.516 27.740 0.045 0.000 2.031 317 C HN 0.524 nan 8.230 nan 0.000 0.474 318 L N 0.325 121.622 121.223 0.122 0.000 2.079 318 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 318 L C 2.988 180.003 176.870 0.241 0.000 1.081 318 L CA 1.615 56.573 54.840 0.197 0.000 0.752 318 L CB -0.693 41.508 42.059 0.237 0.000 0.896 318 L HN 0.352 nan 8.230 nan 0.000 0.433 319 R N -0.015 120.624 120.500 0.233 0.000 2.127 319 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 319 R C 1.662 177.978 176.300 0.027 0.000 1.134 319 R CA 1.280 57.429 56.100 0.081 0.000 0.975 319 R CB -0.427 29.911 30.300 0.063 0.000 0.865 319 R HN 0.456 nan 8.270 nan 0.000 0.447 320 N N 0.537 119.264 118.700 0.045 0.000 2.515 320 N HA -0.033 4.707 4.740 -0.000 0.000 0.185 320 N C -0.066 175.454 175.510 0.017 0.000 1.109 320 N CA 0.772 53.836 53.050 0.022 0.000 0.903 320 N CB 0.184 38.685 38.487 0.024 0.000 0.969 320 N HN 0.009 nan 8.380 nan 0.000 0.450 321 K N 1.452 121.870 120.400 0.030 0.000 2.185 321 K HA 0.084 4.404 4.320 -0.000 0.000 0.271 321 K C 0.294 176.894 176.600 -0.000 0.000 1.013 321 K CA -0.440 55.857 56.287 0.017 0.000 0.943 321 K CB 0.839 33.361 32.500 0.037 0.000 0.998 321 K HN 0.066 nan 8.250 nan 0.000 0.468 322 N N 2.134 120.812 118.700 -0.035 0.000 2.492 322 N HA -0.086 4.654 4.740 -0.000 0.000 0.262 322 N C 1.126 176.580 175.510 -0.094 0.000 1.202 322 N CA 0.239 53.237 53.050 -0.086 0.000 0.926 322 N CB 0.436 38.831 38.487 -0.154 0.000 1.078 322 N HN 0.552 nan 8.380 nan 0.000 0.454 323 Y N 3.570 123.841 120.300 -0.048 0.000 2.315 323 Y HA -0.115 4.435 4.550 -0.000 0.000 0.288 323 Y C 1.690 177.567 175.900 -0.039 0.000 1.154 323 Y CA 1.111 59.180 58.100 -0.052 0.000 1.229 323 Y CB -0.122 38.296 38.460 -0.070 0.000 0.980 323 Y HN 0.462 nan 8.280 nan 0.000 0.540 324 K N 0.499 120.536 120.400 -0.606 0.000 2.147 324 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 324 K C 2.090 178.589 176.600 -0.168 0.000 1.049 324 K CA 1.437 57.497 56.287 -0.379 0.000 0.936 324 K CB -0.160 32.072 32.500 -0.447 0.000 0.722 324 K HN 0.456 nan 8.250 nan 0.000 0.446 325 E N 0.742 120.858 120.200 -0.140 0.000 2.150 325 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 325 E C 1.853 178.430 176.600 -0.039 0.000 0.985 325 E CA 0.758 57.111 56.400 -0.077 0.000 0.814 325 E CB 0.163 29.830 29.700 -0.056 0.000 0.752 325 E HN 0.277 nan 8.360 nan 0.000 0.466 326 L N 0.675 121.890 121.223 -0.013 0.000 2.034 326 L HA -0.077 4.263 4.340 -0.000 0.000 0.203 326 L C 2.706 179.571 176.870 -0.008 0.000 1.074 326 L CA 0.786 55.633 54.840 0.012 0.000 0.748 326 L CB -0.626 41.465 42.059 0.054 0.000 0.905 326 L HN 0.192 nan 8.230 nan 0.000 0.439 327 I N -2.774 117.807 120.570 0.017 0.000 2.756 327 I HA -0.180 3.990 4.170 -0.000 0.000 0.262 327 I C 2.296 178.384 176.117 -0.049 0.000 1.225 327 I CA 0.979 62.292 61.300 0.021 0.000 1.472 327 I CB -0.399 37.664 38.000 0.107 0.000 1.094 327 I HN 0.316 nan 8.210 nan 0.000 0.454 328 Q N 1.119 120.850 119.800 -0.116 0.000 2.230 328 Q HA 0.015 4.355 4.340 -0.000 0.000 0.202 328 Q C 0.676 176.570 176.000 -0.176 0.000 0.963 328 Q CA 0.802 56.456 55.803 -0.248 0.000 0.866 328 Q CB -0.196 28.423 28.738 -0.198 0.000 0.931 328 Q HN 0.636 nan 8.270 nan 0.000 0.452 329 Q N 1.056 120.815 119.800 -0.069 0.000 2.311 329 Q HA 0.061 4.401 4.340 -0.000 0.000 0.272 329 Q C -0.397 175.617 176.000 0.025 0.000 1.012 329 Q CA 0.355 56.151 55.803 -0.012 0.000 0.891 329 Q CB 0.170 28.926 28.738 0.030 0.000 1.201 329 Q HN 0.010 nan 8.270 nan 0.000 0.391 330 T N 4.140 118.714 114.554 0.034 0.000 2.751 330 T HA 0.230 4.580 4.350 -0.000 0.000 0.290 330 T C 0.367 175.128 174.700 0.102 0.000 0.919 330 T CA -0.119 62.022 62.100 0.068 0.000 1.136 330 T CB 0.055 68.957 68.868 0.056 0.000 0.875 330 T HN 0.259 nan 8.240 nan 0.000 0.532 331 I N 4.372 125.025 120.570 0.138 0.000 2.405 331 I HA 0.201 4.370 4.170 -0.000 0.000 0.280 331 I C 0.462 176.640 176.117 0.101 0.000 1.027 331 I CA -0.520 60.884 61.300 0.174 0.000 1.161 331 I CB 0.825 39.012 38.000 0.312 0.000 1.300 331 I HN 0.465 nan 8.210 nan 0.000 0.463 332 T N 7.949 122.559 114.554 0.093 0.000 2.733 332 T HA 0.382 4.732 4.350 -0.000 0.000 0.294 332 T C -1.985 172.736 174.700 0.035 0.000 0.956 332 T CA -1.004 61.127 62.100 0.051 0.000 0.987 332 T CB 1.077 69.980 68.868 0.059 0.000 0.920 332 T HN 0.395 nan 8.240 nan 0.000 0.470 333 P HA 0.447 nan 4.420 nan 0.000 0.276 333 P C -0.353 176.983 177.300 0.060 0.000 1.261 333 P CA -0.711 62.301 63.100 -0.146 0.000 0.800 333 P CB 0.534 32.036 31.700 -0.330 0.000 1.066 334 A N 1.222 124.123 122.820 0.135 0.000 2.586 334 A HA 0.132 4.452 4.320 -0.000 0.000 0.231 334 A C 0.519 178.171 177.584 0.114 0.000 1.055 334 A CA 0.414 52.498 52.037 0.079 0.000 0.756 334 A CB -1.151 17.841 19.000 -0.015 0.000 0.988 334 A HN 0.566 nan 8.150 nan 0.000 0.509 335 T N 2.605 117.160 114.554 0.003 0.000 2.934 335 T HA 0.233 4.583 4.350 -0.000 0.000 0.306 335 T C 0.091 174.742 174.700 -0.081 0.000 1.042 335 T CA 1.413 63.405 62.100 -0.179 0.000 1.145 335 T CB -0.336 68.266 68.868 -0.443 0.000 0.982 335 T HN 0.755 nan 8.240 nan 0.000 0.544 336 Y N -0.696 119.714 120.300 0.183 0.000 4.798 336 Y HA -0.217 4.333 4.550 -0.000 0.000 0.237 336 Y C 0.598 176.419 175.900 -0.132 0.000 1.017 336 Y CA 0.505 58.670 58.100 0.108 0.000 2.010 336 Y CB -3.077 35.288 38.460 -0.158 0.000 1.582 336 Y HN 0.809 nan 8.280 nan 0.000 0.621 337 H N -0.563 118.632 119.070 0.208 0.000 2.771 337 H HA 0.843 5.399 4.556 -0.000 0.000 0.344 337 H C 0.394 175.771 175.328 0.081 0.000 1.260 337 H CA -0.595 55.531 56.048 0.131 0.000 1.276 337 H CB 1.556 31.358 29.762 0.066 0.000 1.881 337 H HN 0.120 nan 8.280 nan 0.000 0.615 338 I N -1.626 119.027 120.570 0.138 0.000 2.689 338 I HA 0.691 4.861 4.170 -0.000 0.000 0.299 338 I C 0.231 176.171 176.117 -0.296 0.000 1.059 338 I CA -1.129 60.155 61.300 -0.026 0.000 1.055 338 I CB 2.538 40.570 38.000 0.054 0.000 1.243 338 I HN 0.623 nan 8.210 nan 0.000 0.425 339 A N 4.149 126.690 122.820 -0.466 0.000 1.984 339 A HA 0.393 4.713 4.320 -0.000 0.000 0.214 339 A C 0.362 177.423 177.584 -0.871 0.000 1.173 339 A CA 0.821 52.262 52.037 -0.993 0.000 0.673 339 A CB -0.118 18.373 19.000 -0.847 0.000 0.830 339 A HN 0.623 nan 8.150 nan 0.000 0.453 340 F N -1.067 118.830 119.950 -0.087 0.000 2.659 340 F HA 0.611 5.138 4.527 -0.000 0.000 0.342 340 F C 0.460 176.190 175.800 -0.117 0.000 1.168 340 F CA -0.135 57.875 58.000 0.016 0.000 1.003 340 F CB 1.833 40.910 39.000 0.128 0.000 1.267 340 F HN 0.246 nan 8.300 nan 0.000 0.463 341 G N 2.339 111.037 108.800 -0.170 0.000 2.619 341 G HA2 0.580 4.540 3.960 -0.000 0.000 0.305 341 G HA3 0.580 4.540 3.960 -0.000 0.000 0.305 341 G C -3.369 171.151 174.900 -0.633 0.000 1.330 341 G CA -1.544 43.030 45.100 -0.877 0.000 0.789 341 G HN 0.078 nan 8.290 nan 0.000 0.487 342 P HA 0.301 nan 4.420 nan 0.000 0.265 342 P C 0.056 177.188 177.300 -0.280 0.000 1.187 342 P CA 0.038 62.921 63.100 -0.362 0.000 0.766 342 P CB 1.002 32.461 31.700 -0.402 0.000 0.820 343 V N 0.986 120.790 119.914 -0.183 0.000 2.960 343 V HA 0.485 4.605 4.120 -0.000 0.000 0.315 343 V C -0.171 175.822 176.094 -0.169 0.000 1.087 343 V CA -0.974 61.205 62.300 -0.202 0.000 0.982 343 V CB 2.027 33.771 31.823 -0.132 0.000 1.039 343 V HN 0.167 nan 8.190 nan 0.000 0.437 344 I N 4.123 124.591 120.570 -0.169 0.000 2.293 344 I HA 0.208 4.378 4.170 -0.000 0.000 0.299 344 I C 0.901 176.993 176.117 -0.041 0.000 1.153 344 I CA 0.170 61.423 61.300 -0.078 0.000 1.302 344 I CB -0.166 37.825 38.000 -0.015 0.000 1.460 344 I HN 0.970 nan 8.210 nan 0.000 0.552 345 D N 3.407 123.783 120.400 -0.040 0.000 2.349 345 D HA 0.031 4.671 4.640 -0.000 0.000 0.215 345 D C 1.401 177.705 176.300 0.008 0.000 1.016 345 D CA 0.741 54.724 54.000 -0.027 0.000 0.870 345 D CB 0.408 41.174 40.800 -0.057 0.000 0.917 345 D HN 0.656 nan 8.370 nan 0.000 0.524 346 G N 0.545 109.361 108.800 0.026 0.000 2.179 346 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 346 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 346 G C 0.449 175.396 174.900 0.079 0.000 0.977 346 G CA 0.701 45.830 45.100 0.049 0.000 0.641 346 G HN 0.569 nan 8.290 nan 0.000 0.533 347 D N -1.761 118.695 120.400 0.093 0.000 2.957 347 D HA 0.175 4.815 4.640 -0.000 0.000 0.175 347 D C 2.272 178.726 176.300 0.256 0.000 1.502 347 D CA 1.058 55.162 54.000 0.173 0.000 1.524 347 D CB -0.433 40.455 40.800 0.147 0.000 1.300 347 D HN 0.223 nan 8.370 nan 0.000 0.241 348 V N 1.041 120.997 119.914 0.070 0.000 2.343 348 V HA 0.043 4.163 4.120 -0.000 0.000 0.247 348 V C 1.031 177.170 176.094 0.075 0.000 1.051 348 V CA 1.230 63.502 62.300 -0.046 0.000 1.036 348 V CB -0.277 31.373 31.823 -0.288 0.000 0.654 348 V HN 0.299 nan 8.190 nan 0.000 0.451 349 I N 0.303 120.894 120.570 0.035 0.000 2.595 349 I HA 0.233 4.403 4.170 -0.000 0.000 0.275 349 I C -2.033 174.110 176.117 0.042 0.000 1.092 349 I CA -1.499 59.818 61.300 0.029 0.000 1.145 349 I CB 1.893 39.879 38.000 -0.024 0.000 1.276 349 I HN 0.102 nan 8.210 nan 0.000 0.497 350 P HA -0.041 nan 4.420 nan 0.000 0.220 350 P C 0.102 177.437 177.300 0.057 0.000 1.148 350 P CA 1.344 64.494 63.100 0.082 0.000 0.803 350 P CB 0.348 32.122 31.700 0.122 0.000 0.782 351 D N -2.585 117.842 120.400 0.046 0.000 2.643 351 D HA 0.088 4.728 4.640 -0.000 0.000 0.283 351 D C -1.007 175.321 176.300 0.047 0.000 1.242 351 D CA -0.670 53.358 54.000 0.046 0.000 0.863 351 D CB 1.198 42.022 40.800 0.040 0.000 1.382 351 D HN -0.270 nan 8.370 nan 0.000 0.444 352 D N 0.951 121.395 120.400 0.072 0.000 2.648 352 D HA -0.029 4.610 4.640 -0.000 0.000 0.229 352 D C -1.452 174.869 176.300 0.034 0.000 1.119 352 D CA -0.502 53.555 54.000 0.094 0.000 0.850 352 D CB 1.222 42.068 40.800 0.077 0.000 1.169 352 D HN 0.083 nan 8.370 nan 0.000 0.489 353 P HA -0.205 nan 4.420 nan 0.000 0.216 353 P C 1.303 178.566 177.300 -0.063 0.000 1.150 353 P CA 1.309 64.389 63.100 -0.033 0.000 0.843 353 P CB 0.255 31.942 31.700 -0.023 0.000 0.787 354 Q N -0.099 119.683 119.800 -0.030 0.000 2.061 354 Q HA -0.177 4.162 4.340 -0.000 0.000 0.204 354 Q C 1.971 177.949 176.000 -0.036 0.000 0.984 354 Q CA 1.779 57.562 55.803 -0.033 0.000 0.846 354 Q CB -1.038 27.690 28.738 -0.017 0.000 0.902 354 Q HN 0.193 nan 8.270 nan 0.000 0.421 355 I N -0.234 120.323 120.570 -0.021 0.000 2.252 355 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 355 I C 2.061 178.160 176.117 -0.030 0.000 1.102 355 I CA 0.786 62.079 61.300 -0.010 0.000 1.385 355 I CB -0.251 37.753 38.000 0.007 0.000 1.064 355 I HN 0.256 nan 8.210 nan 0.000 0.414 356 L N -0.197 120.991 121.223 -0.058 0.000 2.079 356 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 356 L C 2.645 179.402 176.870 -0.188 0.000 1.081 356 L CA 1.480 56.261 54.840 -0.097 0.000 0.752 356 L CB -0.496 41.500 42.059 -0.105 0.000 0.896 356 L HN 0.295 nan 8.230 nan 0.000 0.433 357 M N -0.679 118.751 119.600 -0.285 0.000 2.132 357 M HA -0.195 4.285 4.480 -0.000 0.000 0.263 357 M C 2.090 178.338 176.300 -0.085 0.000 1.065 357 M CA 1.705 56.729 55.300 -0.460 0.000 1.122 357 M CB -0.339 32.008 32.600 -0.423 0.000 1.365 357 M HN 0.213 nan 8.290 nan 0.000 0.411 358 E N 0.069 120.261 120.200 -0.013 0.000 2.150 358 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 358 E C 1.915 178.568 176.600 0.088 0.000 0.985 358 E CA 0.873 57.314 56.400 0.069 0.000 0.814 358 E CB -0.087 29.645 29.700 0.052 0.000 0.752 358 E HN 0.578 nan 8.360 nan 0.000 0.466 359 Q N -0.572 119.255 119.800 0.045 0.000 2.369 359 Q HA -0.017 4.323 4.340 -0.000 0.000 0.206 359 Q C 0.988 177.036 176.000 0.080 0.000 0.963 359 Q CA 0.703 56.538 55.803 0.054 0.000 0.894 359 Q CB 0.391 29.149 28.738 0.033 0.000 0.965 359 Q HN 0.412 nan 8.270 nan 0.000 0.475 360 G N 1.129 109.994 108.800 0.108 0.000 2.130 360 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.216 360 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.216 360 G C 0.496 175.517 174.900 0.201 0.000 0.999 360 G CA 0.385 45.609 45.100 0.208 0.000 0.686 360 G HN 0.328 nan 8.290 nan 0.000 0.515 361 E N 0.420 120.671 120.200 0.085 0.000 2.204 361 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 361 E C 1.959 178.717 176.600 0.262 0.000 0.990 361 E CA 1.844 58.278 56.400 0.057 0.000 0.821 361 E CB -0.312 29.338 29.700 -0.084 0.000 0.750 361 E HN 0.890 nan 8.360 nan 0.000 0.477 362 F N -1.142 118.926 119.950 0.198 0.000 2.693 362 F HA 0.328 4.855 4.527 -0.000 0.000 0.303 362 F C 0.992 177.003 175.800 0.351 0.000 1.097 362 F CA -0.390 57.847 58.000 0.395 0.000 1.330 362 F CB -1.221 38.045 39.000 0.444 0.000 1.067 362 F HN -0.046 nan 8.300 nan 0.000 0.565 363 L N 0.516 121.976 121.223 0.395 0.000 2.362 363 L HA -0.127 4.213 4.340 -0.000 0.000 0.219 363 L C 2.150 178.995 176.870 -0.042 0.000 1.134 363 L CA 1.152 56.027 54.840 0.058 0.000 0.807 363 L CB -0.726 41.385 42.059 0.087 0.000 0.927 363 L HN 0.252 nan 8.230 nan 0.000 0.447 364 N N -0.518 118.083 118.700 -0.165 0.000 2.331 364 N HA -0.139 4.601 4.740 -0.000 0.000 0.180 364 N C 0.093 175.445 175.510 -0.263 0.000 1.019 364 N CA 0.568 53.427 53.050 -0.319 0.000 0.881 364 N CB 0.077 38.216 38.487 -0.580 0.000 0.972 364 N HN 0.124 nan 8.380 nan 0.000 0.435 365 Y N 0.548 120.977 120.300 0.214 0.000 2.299 365 Y HA 0.245 4.795 4.550 -0.000 0.000 0.326 365 Y C 0.264 176.319 175.900 0.259 0.000 1.164 365 Y CA -1.318 56.916 58.100 0.223 0.000 1.234 365 Y CB 0.324 38.946 38.460 0.270 0.000 1.219 365 Y HN -0.047 nan 8.280 nan 0.000 0.497 366 D N 2.936 123.541 120.400 0.341 0.000 2.348 366 D HA 0.303 4.943 4.640 -0.000 0.000 0.253 366 D C -0.862 175.663 176.300 0.374 0.000 1.161 366 D CA 0.168 54.358 54.000 0.317 0.000 0.876 366 D CB 0.327 41.212 40.800 0.142 0.000 1.160 366 D HN 0.461 nan 8.370 nan 0.000 0.459 367 I N 4.008 124.707 120.570 0.214 0.000 2.499 367 I HA 0.249 4.419 4.170 -0.000 0.000 0.288 367 I C -0.101 175.952 176.117 -0.107 0.000 1.048 367 I CA -0.795 60.489 61.300 -0.028 0.000 1.062 367 I CB 2.055 39.764 38.000 -0.485 0.000 1.238 367 I HN 0.247 nan 8.210 nan 0.000 0.426 368 M N 8.531 127.901 119.600 -0.383 0.000 2.268 368 M HA 0.718 5.198 4.480 -0.000 0.000 0.344 368 M C -1.669 174.449 176.300 -0.303 0.000 1.106 368 M CA -0.494 54.490 55.300 -0.527 0.000 1.010 368 M CB 1.502 33.376 32.600 -1.211 0.000 1.649 368 M HN 0.645 nan 8.290 nan 0.000 0.443 369 L N 2.381 123.465 121.223 -0.231 0.000 2.469 369 L HA 1.145 5.485 4.340 -0.000 0.000 0.256 369 L C -0.889 175.435 176.870 -0.909 0.000 1.006 369 L CA -0.626 54.011 54.840 -0.339 0.000 0.832 369 L CB 2.084 44.000 42.059 -0.237 0.000 1.421 369 L HN 0.799 nan 8.230 nan 0.000 0.410 370 G N 0.153 108.243 108.800 -1.184 0.000 2.488 370 G HA2 0.629 4.589 3.960 -0.000 0.000 0.301 370 G HA3 0.629 4.589 3.960 -0.000 0.000 0.301 370 G C -1.505 172.816 174.900 -0.964 0.000 1.339 370 G CA -0.015 43.941 45.100 -1.907 0.000 0.803 370 G HN 1.437 nan 8.290 nan 0.000 0.482 371 V N -2.712 116.788 119.914 -0.689 0.000 3.188 371 V HA 0.822 4.942 4.120 -0.000 0.000 0.305 371 V C -1.285 174.815 176.094 0.011 0.000 1.232 371 V CA -1.496 60.700 62.300 -0.173 0.000 1.043 371 V CB 1.866 33.685 31.823 -0.008 0.000 1.068 371 V HN 0.669 nan 8.190 nan 0.000 0.439 372 N N 1.132 119.850 118.700 0.030 0.000 2.456 372 N HA 0.375 5.115 4.740 -0.000 0.000 0.296 372 N C 0.675 176.187 175.510 0.003 0.000 1.102 372 N CA -0.328 52.775 53.050 0.089 0.000 0.924 372 N CB 1.752 40.271 38.487 0.053 0.000 1.186 372 N HN 0.978 nan 8.380 nan 0.000 0.492 373 Q N 1.092 120.818 119.800 -0.124 0.000 2.112 373 Q HA -0.101 4.239 4.340 -0.000 0.000 0.206 373 Q C 0.262 176.214 176.000 -0.080 0.000 0.987 373 Q CA 1.720 57.347 55.803 -0.294 0.000 0.858 373 Q CB -0.116 28.051 28.738 -0.952 0.000 0.905 373 Q HN 0.774 nan 8.270 nan 0.000 0.420 374 G N -0.199 108.558 108.800 -0.072 0.000 4.828 374 G HA2 0.110 4.070 3.960 -0.000 0.000 0.294 374 G HA3 0.110 4.070 3.960 -0.000 0.000 0.294 374 G C 0.153 175.018 174.900 -0.059 0.000 1.288 374 G CA -0.399 44.696 45.100 -0.009 0.000 0.987 374 G HN 0.175 nan 8.290 nan 0.000 0.587 375 E N 0.947 121.029 120.200 -0.197 0.000 2.086 375 E HA -0.154 4.196 4.350 -0.000 0.000 0.200 375 E C 2.231 178.598 176.600 -0.388 0.000 1.012 375 E CA 1.488 57.558 56.400 -0.550 0.000 0.812 375 E CB -0.101 28.781 29.700 -1.364 0.000 0.743 375 E HN 0.405 nan 8.360 nan 0.000 0.453 376 G N 1.271 110.072 108.800 0.001 0.000 3.332 376 G HA2 0.046 4.006 3.960 -0.000 0.000 0.242 376 G HA3 0.046 4.006 3.960 -0.000 0.000 0.242 376 G C 1.264 176.382 174.900 0.364 0.000 1.276 376 G CA -0.181 45.202 45.100 0.472 0.000 0.988 376 G HN 0.094 nan 8.290 nan 0.000 0.517 377 L N 0.308 121.655 121.223 0.206 0.000 2.051 377 L HA -0.135 4.205 4.340 -0.000 0.000 0.214 377 L C 2.349 179.349 176.870 0.216 0.000 1.076 377 L CA 1.825 56.786 54.840 0.202 0.000 0.758 377 L CB -0.048 42.063 42.059 0.088 0.000 0.890 377 L HN 0.033 nan 8.230 nan 0.000 0.433 378 K N -1.058 119.454 120.400 0.187 0.000 2.283 378 K HA -0.155 4.165 4.320 -0.000 0.000 0.202 378 K C 2.036 178.713 176.600 0.127 0.000 1.048 378 K CA 0.998 57.369 56.287 0.141 0.000 0.948 378 K CB -0.862 31.711 32.500 0.121 0.000 0.742 378 K HN 0.360 nan 8.250 nan 0.000 0.458 379 F N 1.782 121.695 119.950 -0.062 0.000 2.192 379 F HA -0.205 4.322 4.527 -0.000 0.000 0.301 379 F C 1.645 177.404 175.800 -0.067 0.000 1.079 379 F CA 1.206 59.065 58.000 -0.235 0.000 1.303 379 F CB 0.040 38.833 39.000 -0.345 0.000 1.024 379 F HN -0.118 nan 8.300 nan 0.000 0.494 380 V N -2.610 117.324 119.914 0.033 0.000 3.444 380 V HA 0.211 4.330 4.120 -0.000 0.000 0.308 380 V C -0.094 176.015 176.094 0.025 0.000 1.371 380 V CA -0.462 61.827 62.300 -0.018 0.000 1.141 380 V CB -1.079 30.785 31.823 0.068 0.000 1.037 380 V HN -0.093 nan 8.190 nan 0.000 0.433 381 D N 2.471 122.889 120.400 0.030 0.000 2.533 381 D HA 0.380 5.020 4.640 -0.000 0.000 0.236 381 D C 1.528 177.838 176.300 0.016 0.000 1.137 381 D CA 2.015 56.042 54.000 0.044 0.000 0.867 381 D CB 0.878 41.699 40.800 0.035 0.000 1.170 381 D HN 0.590 nan 8.370 nan 0.000 0.474 382 G N 2.201 111.021 108.800 0.034 0.000 2.205 382 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.261 382 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.261 382 G C 0.906 175.809 174.900 0.004 0.000 0.980 382 G CA 0.564 45.674 45.100 0.018 0.000 0.632 382 G HN 0.669 nan 8.290 nan 0.000 0.533 383 I N -1.743 118.827 120.570 -0.001 0.000 4.081 383 I HA 0.575 4.744 4.170 -0.000 0.000 0.333 383 I C 0.150 176.256 176.117 -0.018 0.000 1.413 383 I CA -0.569 60.721 61.300 -0.016 0.000 1.110 383 I CB 0.786 38.769 38.000 -0.028 0.000 1.082 383 I HN -0.071 nan 8.210 nan 0.000 0.402 384 V N 3.878 123.794 119.914 0.002 0.000 2.383 384 V HA 0.222 4.342 4.120 -0.000 0.000 0.275 384 V C -0.091 176.008 176.094 0.008 0.000 1.036 384 V CA -0.563 61.724 62.300 -0.022 0.000 0.889 384 V CB 0.852 32.681 31.823 0.011 0.000 0.985 384 V HN 0.420 nan 8.190 nan 0.000 0.459 385 D N 3.280 123.668 120.400 -0.021 0.000 2.440 385 D HA 0.099 4.739 4.640 -0.000 0.000 0.269 385 D C 0.753 177.066 176.300 0.021 0.000 1.249 385 D CA -0.526 53.473 54.000 -0.002 0.000 1.055 385 D CB 0.333 41.123 40.800 -0.018 0.000 1.104 385 D HN 0.474 nan 8.370 nan 0.000 0.561 386 N N -1.129 117.585 118.700 0.024 0.000 2.494 386 N HA -0.053 4.687 4.740 -0.000 0.000 0.182 386 N C 0.171 175.707 175.510 0.043 0.000 1.076 386 N CA 0.218 53.294 53.050 0.044 0.000 0.908 386 N CB 0.068 38.575 38.487 0.033 0.000 0.967 386 N HN 0.466 nan 8.380 nan 0.000 0.449 387 E N 0.965 121.173 120.200 0.015 0.000 2.423 387 E HA 0.026 4.376 4.350 -0.000 0.000 0.198 387 E C -0.725 175.852 176.600 -0.037 0.000 1.038 387 E CA -0.213 56.189 56.400 0.004 0.000 1.011 387 E CB 0.208 29.903 29.700 -0.008 0.000 1.118 387 E HN 0.178 nan 8.360 nan 0.000 0.451 388 D N -0.274 120.095 120.400 -0.052 0.000 3.012 388 D HA -0.139 4.501 4.640 -0.000 0.000 0.222 388 D C 0.270 176.369 176.300 -0.336 0.000 1.167 388 D CA 1.414 55.269 54.000 -0.242 0.000 0.854 388 D CB -1.446 39.203 40.800 -0.252 0.000 1.107 388 D HN 0.450 nan 8.370 nan 0.000 0.421 389 G N -1.014 107.670 108.800 -0.192 0.000 2.489 389 G HA2 0.647 4.607 3.960 -0.000 0.000 0.327 389 G HA3 0.647 4.607 3.960 -0.000 0.000 0.327 389 G C -0.453 174.369 174.900 -0.131 0.000 1.189 389 G CA -0.507 44.494 45.100 -0.165 0.000 0.962 389 G HN 0.107 nan 8.290 nan 0.000 0.486 390 V N 0.465 120.318 119.914 -0.103 0.000 2.680 390 V HA 0.563 4.683 4.120 -0.000 0.000 0.309 390 V C 0.657 176.734 176.094 -0.029 0.000 1.052 390 V CA -0.691 61.580 62.300 -0.049 0.000 0.908 390 V CB 1.802 33.619 31.823 -0.010 0.000 1.001 390 V HN 1.093 nan 8.190 nan 0.000 0.431 391 T N 2.116 116.665 114.554 -0.009 0.000 2.849 391 T HA 0.311 4.661 4.350 -0.000 0.000 0.284 391 T C -1.903 172.815 174.700 0.030 0.000 1.004 391 T CA -1.602 60.493 62.100 -0.008 0.000 1.021 391 T CB 1.388 70.250 68.868 -0.010 0.000 1.013 391 T HN 0.442 nan 8.240 nan 0.000 0.527 392 P HA -0.039 nan 4.420 nan 0.000 0.217 392 P C 1.277 178.655 177.300 0.129 0.000 1.150 392 P CA 0.744 63.866 63.100 0.036 0.000 0.832 392 P CB -0.028 31.661 31.700 -0.019 0.000 0.787 393 N N -0.258 118.490 118.700 0.079 0.000 2.069 393 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 393 N C 1.299 176.878 175.510 0.114 0.000 1.031 393 N CA 1.360 54.459 53.050 0.082 0.000 0.852 393 N CB -1.084 37.413 38.487 0.015 0.000 1.018 393 N HN 0.130 nan 8.380 nan 0.000 0.423 394 D N -0.276 120.176 120.400 0.086 0.000 2.219 394 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 394 D C 1.658 178.062 176.300 0.173 0.000 0.970 394 D CA 0.257 54.318 54.000 0.102 0.000 0.851 394 D CB -0.293 40.530 40.800 0.038 0.000 0.943 394 D HN 0.229 nan 8.370 nan 0.000 0.488 395 F N 1.803 121.780 119.950 0.045 0.000 2.084 395 F HA -0.160 4.367 4.527 -0.000 0.000 0.296 395 F C 1.721 177.575 175.800 0.090 0.000 1.111 395 F CA 1.293 59.322 58.000 0.047 0.000 1.224 395 F CB 0.099 39.104 39.000 0.008 0.000 0.991 395 F HN -0.218 nan 8.300 nan 0.000 0.471 396 D N 0.008 120.566 120.400 0.263 0.000 2.144 396 D HA -0.204 4.436 4.640 -0.000 0.000 0.199 396 D C 2.065 178.444 176.300 0.132 0.000 0.984 396 D CA 1.264 55.371 54.000 0.178 0.000 0.834 396 D CB -0.736 40.202 40.800 0.231 0.000 0.955 396 D HN 0.335 nan 8.370 nan 0.000 0.465 397 F N 1.793 121.746 119.950 0.005 0.000 2.102 397 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 397 F C 2.482 178.263 175.800 -0.032 0.000 1.105 397 F CA 1.170 59.166 58.000 -0.006 0.000 1.239 397 F CB -0.264 38.729 39.000 -0.012 0.000 0.991 397 F HN -0.173 nan 8.300 nan 0.000 0.474 398 S N -0.182 115.523 115.700 0.008 0.000 2.359 398 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 398 S C 2.213 176.798 174.600 -0.026 0.000 1.035 398 S CA 1.528 59.648 58.200 -0.133 0.000 1.018 398 S CB -0.729 62.334 63.200 -0.229 0.000 0.876 398 S HN 0.242 nan 8.310 nan 0.000 0.448 399 V N 1.092 120.928 119.914 -0.130 0.000 2.358 399 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 399 V C 2.571 178.726 176.094 0.102 0.000 1.047 399 V CA 1.886 64.140 62.300 -0.078 0.000 1.035 399 V CB -0.827 30.837 31.823 -0.265 0.000 0.658 399 V HN 0.546 nan 8.190 nan 0.000 0.452 400 S N 0.471 116.186 115.700 0.026 0.000 2.356 400 S HA -0.218 4.251 4.470 -0.000 0.000 0.223 400 S C 1.950 176.564 174.600 0.023 0.000 1.032 400 S CA 1.923 60.146 58.200 0.039 0.000 1.005 400 S CB -0.432 62.769 63.200 0.000 0.000 0.867 400 S HN 0.654 nan 8.310 nan 0.000 0.449 401 N N 0.951 119.591 118.700 -0.100 0.000 2.084 401 N HA -0.095 4.645 4.740 -0.000 0.000 0.190 401 N C 1.476 177.065 175.510 0.132 0.000 1.030 401 N CA 1.443 54.436 53.050 -0.095 0.000 0.849 401 N CB -0.979 37.330 38.487 -0.296 0.000 1.012 401 N HN 0.575 nan 8.380 nan 0.000 0.423 402 F N 1.799 121.824 119.950 0.125 0.000 2.085 402 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 402 F C 2.055 177.968 175.800 0.189 0.000 1.096 402 F CA 1.343 59.495 58.000 0.254 0.000 1.227 402 F CB -0.212 38.940 39.000 0.253 0.000 0.983 402 F HN -0.176 nan 8.300 nan 0.000 0.482 403 V N 0.486 120.620 119.914 0.368 0.000 2.323 403 V HA -0.252 3.868 4.120 -0.000 0.000 0.244 403 V C 2.053 178.253 176.094 0.177 0.000 1.041 403 V CA 2.049 64.536 62.300 0.311 0.000 1.025 403 V CB -0.750 31.262 31.823 0.314 0.000 0.656 403 V HN 0.282 nan 8.190 nan 0.000 0.451 404 D N 0.608 121.080 120.400 0.119 0.000 2.116 404 D HA -0.196 4.444 4.640 -0.000 0.000 0.193 404 D C 1.961 178.280 176.300 0.032 0.000 0.998 404 D CA 1.911 55.952 54.000 0.068 0.000 0.836 404 D CB -0.465 40.347 40.800 0.019 0.000 0.951 404 D HN 0.571 nan 8.370 nan 0.000 0.449 405 N N -0.743 117.962 118.700 0.009 0.000 2.300 405 N HA 0.062 4.801 4.740 -0.000 0.000 0.179 405 N C 1.563 177.068 175.510 -0.009 0.000 1.016 405 N CA 0.300 53.345 53.050 -0.007 0.000 0.876 405 N CB 0.294 38.757 38.487 -0.040 0.000 0.979 405 N HN 0.097 nan 8.380 nan 0.000 0.432 406 L N -1.562 119.553 121.223 -0.179 0.000 2.575 406 L HA 0.174 4.514 4.340 -0.000 0.000 0.228 406 L C 0.642 177.139 176.870 -0.622 0.000 1.075 406 L CA 0.291 54.861 54.840 -0.450 0.000 0.867 406 L CB 0.354 41.852 42.059 -0.936 0.000 1.097 406 L HN 0.158 nan 8.230 nan 0.000 0.485 407 Y N -0.832 119.409 120.300 -0.100 0.000 2.430 407 Y HA 0.371 4.921 4.550 -0.000 0.000 0.254 407 Y C 1.850 177.752 175.900 0.004 0.000 1.088 407 Y CA 0.328 58.410 58.100 -0.031 0.000 1.267 407 Y CB 0.481 38.946 38.460 0.009 0.000 1.204 407 Y HN 0.123 nan 8.280 nan 0.000 0.515 408 G N 1.377 110.247 108.800 0.116 0.000 2.675 408 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.312 408 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.312 408 G C -0.482 174.544 174.900 0.210 0.000 1.186 408 G CA 0.759 45.923 45.100 0.106 0.000 0.965 408 G HN 0.332 nan 8.290 nan 0.000 0.548 409 Y N 4.087 124.418 120.300 0.052 0.000 2.609 409 Y HA 0.595 5.145 4.550 -0.000 0.000 0.350 409 Y C -2.052 173.884 175.900 0.060 0.000 1.050 409 Y CA -1.873 56.261 58.100 0.056 0.000 1.290 409 Y CB 1.195 39.675 38.460 0.033 0.000 1.094 409 Y HN 0.613 nan 8.280 nan 0.000 0.583 410 P HA 0.190 nan 4.420 nan 0.000 0.279 410 P C -0.711 176.229 177.300 -0.601 0.000 1.276 410 P CA -0.610 62.296 63.100 -0.324 0.000 0.801 410 P CB 1.035 32.701 31.700 -0.057 0.000 1.127 411 E N 0.425 120.402 120.200 -0.372 0.000 2.757 411 E HA 0.147 4.497 4.350 -0.000 0.000 0.238 411 E C 0.359 176.856 176.600 -0.173 0.000 1.057 411 E CA 0.582 56.825 56.400 -0.263 0.000 0.952 411 E CB -1.295 28.332 29.700 -0.122 0.000 0.934 411 E HN 0.781 nan 8.360 nan 0.000 0.518 412 G N 4.651 113.376 108.800 -0.126 0.000 2.452 412 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.275 412 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.275 412 G C 0.441 175.364 174.900 0.039 0.000 1.131 412 G CA 0.277 45.380 45.100 0.006 0.000 1.031 412 G HN 0.678 nan 8.290 nan 0.000 0.511 413 K N -0.706 119.776 120.400 0.136 0.000 2.097 413 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 413 K C 1.895 178.586 176.600 0.152 0.000 1.050 413 K CA 1.465 57.861 56.287 0.181 0.000 0.938 413 K CB -0.042 32.694 32.500 0.394 0.000 0.718 413 K HN 0.350 nan 8.250 nan 0.000 0.442 414 D N -0.041 120.450 120.400 0.152 0.000 2.097 414 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 414 D C 1.718 178.077 176.300 0.098 0.000 0.984 414 D CA 1.296 55.366 54.000 0.117 0.000 0.826 414 D CB -0.345 40.516 40.800 0.102 0.000 0.973 414 D HN 0.178 nan 8.370 nan 0.000 0.460 415 T N 1.263 115.866 114.554 0.082 0.000 2.665 415 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 415 T C 1.860 176.604 174.700 0.073 0.000 1.035 415 T CA 0.754 62.892 62.100 0.064 0.000 1.151 415 T CB -0.369 68.525 68.868 0.043 0.000 0.862 415 T HN 0.028 nan 8.240 nan 0.000 0.438 416 L N 1.275 122.533 121.223 0.058 0.000 1.994 416 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 416 L C 2.549 179.488 176.870 0.114 0.000 1.071 416 L CA 1.810 56.676 54.840 0.043 0.000 0.745 416 L CB -0.693 41.338 42.059 -0.047 0.000 0.892 416 L HN 0.104 nan 8.230 nan 0.000 0.431 417 R N -0.494 120.082 120.500 0.128 0.000 2.083 417 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 417 R C 2.144 178.546 176.300 0.169 0.000 1.137 417 R CA 2.039 58.234 56.100 0.158 0.000 0.951 417 R CB -0.221 30.166 30.300 0.145 0.000 0.851 417 R HN 0.540 nan 8.270 nan 0.000 0.434 418 E N -0.890 119.404 120.200 0.157 0.000 2.106 418 E HA -0.117 4.232 4.350 -0.000 0.000 0.192 418 E C 1.891 178.622 176.600 0.218 0.000 0.984 418 E CA 1.741 58.248 56.400 0.178 0.000 0.806 418 E CB 0.032 29.812 29.700 0.135 0.000 0.750 418 E HN 0.403 nan 8.360 nan 0.000 0.458 419 T N 1.400 116.067 114.554 0.189 0.000 2.777 419 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 419 T C 1.997 176.840 174.700 0.237 0.000 1.040 419 T CA 0.850 63.078 62.100 0.213 0.000 1.141 419 T CB -0.177 68.813 68.868 0.203 0.000 0.868 419 T HN 0.098 nan 8.240 nan 0.000 0.444 420 I N 0.700 121.430 120.570 0.267 0.000 2.226 420 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 420 I C 2.611 178.885 176.117 0.261 0.000 1.100 420 I CA 1.375 62.828 61.300 0.254 0.000 1.374 420 I CB -0.292 37.875 38.000 0.279 0.000 1.057 420 I HN 0.175 nan 8.210 nan 0.000 0.413 421 K N 0.248 120.813 120.400 0.274 0.000 2.032 421 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 421 K C 2.108 178.947 176.600 0.397 0.000 1.048 421 K CA 1.833 58.348 56.287 0.380 0.000 0.927 421 K CB -0.326 32.395 32.500 0.368 0.000 0.712 421 K HN 0.158 nan 8.250 nan 0.000 0.441 422 F N 1.368 121.477 119.950 0.265 0.000 2.095 422 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 422 F C 2.033 177.977 175.800 0.240 0.000 1.104 422 F CA 1.483 59.691 58.000 0.347 0.000 1.232 422 F CB -0.081 39.044 39.000 0.207 0.000 0.987 422 F HN -0.040 nan 8.300 nan 0.000 0.475 423 M N -1.115 118.464 119.600 -0.034 0.000 2.213 423 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 423 M C 1.112 177.114 176.300 -0.498 0.000 1.062 423 M CA 1.496 56.549 55.300 -0.412 0.000 1.105 423 M CB -1.420 30.674 32.600 -0.844 0.000 1.385 423 M HN 0.249 nan 8.290 nan 0.000 0.417 424 Y N -0.245 119.981 120.300 -0.123 0.000 2.683 424 Y HA 0.187 4.737 4.550 -0.000 0.000 0.297 424 Y C 0.312 176.159 175.900 -0.088 0.000 1.147 424 Y CA -0.266 57.819 58.100 -0.025 0.000 1.274 424 Y CB 0.127 38.658 38.460 0.118 0.000 1.143 424 Y HN -0.068 nan 8.280 nan 0.000 0.527 425 T N 0.244 114.626 114.554 -0.286 0.000 2.824 425 T HA 0.080 4.430 4.350 -0.000 0.000 0.280 425 T C -0.718 173.521 174.700 -0.768 0.000 0.995 425 T CA -0.692 60.985 62.100 -0.705 0.000 1.009 425 T CB 1.076 69.248 68.868 -1.161 0.000 0.955 425 T HN 0.020 nan 8.240 nan 0.000 0.452 426 D N 1.960 121.995 120.400 -0.608 0.000 2.422 426 D HA 0.119 4.759 4.640 -0.000 0.000 0.227 426 D C 0.131 176.169 176.300 -0.437 0.000 1.190 426 D CA -0.668 53.091 54.000 -0.403 0.000 0.905 426 D CB 0.251 40.906 40.800 -0.242 0.000 1.034 426 D HN 0.595 nan 8.370 nan 0.000 0.507 427 W N 2.712 123.899 121.300 -0.189 0.000 2.525 427 W HA 0.028 4.688 4.660 -0.000 0.000 0.259 427 W C 2.155 178.620 176.519 -0.090 0.000 1.253 427 W CA 0.351 57.612 57.345 -0.140 0.000 1.262 427 W CB 0.100 29.473 29.460 -0.144 0.000 1.122 427 W HN 0.555 nan 8.180 nan 0.000 0.607 428 A N -0.652 122.212 122.820 0.073 0.000 2.169 428 A HA -0.023 4.296 4.320 -0.000 0.000 0.212 428 A C 0.391 177.969 177.584 -0.010 0.000 1.153 428 A CA 1.227 53.285 52.037 0.035 0.000 0.756 428 A CB -0.051 18.960 19.000 0.018 0.000 0.813 428 A HN 0.081 nan 8.150 nan 0.000 0.471 429 D N -1.283 119.080 120.400 -0.062 0.000 3.285 429 D HA 0.111 4.751 4.640 -0.000 0.000 0.273 429 D C 0.616 176.827 176.300 -0.147 0.000 1.295 429 D CA -0.249 53.701 54.000 -0.082 0.000 0.762 429 D CB -0.119 40.638 40.800 -0.072 0.000 1.379 429 D HN 0.160 nan 8.370 nan 0.000 0.612 430 K N -0.054 120.252 120.400 -0.157 0.000 2.211 430 K HA -0.087 4.233 4.320 -0.000 0.000 0.203 430 K C 0.727 177.192 176.600 -0.226 0.000 1.050 430 K CA 1.067 57.197 56.287 -0.262 0.000 0.945 430 K CB 0.442 32.825 32.500 -0.195 0.000 0.732 430 K HN 0.028 nan 8.250 nan 0.000 0.451 431 E N 0.357 120.470 120.200 -0.144 0.000 2.474 431 E HA 0.022 4.372 4.350 -0.000 0.000 0.194 431 E C -0.240 176.289 176.600 -0.117 0.000 1.041 431 E CA -0.080 56.248 56.400 -0.120 0.000 0.874 431 E CB 0.146 29.801 29.700 -0.075 0.000 0.914 431 E HN 0.142 nan 8.360 nan 0.000 0.498 432 N N 1.484 120.108 118.700 -0.126 0.000 2.416 432 N HA 0.006 4.746 4.740 -0.000 0.000 0.265 432 N C -1.947 173.489 175.510 -0.124 0.000 1.195 432 N CA -1.435 51.550 53.050 -0.107 0.000 0.943 432 N CB 1.121 39.551 38.487 -0.095 0.000 1.115 432 N HN -0.108 nan 8.380 nan 0.000 0.481 433 P HA -0.001 nan 4.420 nan 0.000 0.222 433 P C 0.494 177.717 177.300 -0.128 0.000 1.153 433 P CA 1.024 64.057 63.100 -0.112 0.000 0.798 433 P CB 0.501 32.147 31.700 -0.091 0.000 0.796 434 E N -0.634 119.490 120.200 -0.127 0.000 2.107 434 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 434 E C 1.744 178.268 176.600 -0.126 0.000 0.982 434 E CA 1.283 57.590 56.400 -0.155 0.000 0.809 434 E CB -0.690 28.937 29.700 -0.122 0.000 0.756 434 E HN 0.203 nan 8.360 nan 0.000 0.459 435 T N 0.970 115.465 114.554 -0.099 0.000 2.788 435 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 435 T C 1.848 176.497 174.700 -0.085 0.000 1.044 435 T CA 1.211 63.261 62.100 -0.083 0.000 1.139 435 T CB -0.135 68.674 68.868 -0.098 0.000 0.867 435 T HN 0.064 nan 8.240 nan 0.000 0.454 436 R N 0.784 121.211 120.500 -0.121 0.000 2.081 436 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 436 R C 2.652 178.967 176.300 0.024 0.000 1.131 436 R CA 1.204 57.245 56.100 -0.098 0.000 0.960 436 R CB -0.134 30.072 30.300 -0.157 0.000 0.856 436 R HN 0.237 nan 8.270 nan 0.000 0.436 437 R N 0.838 121.304 120.500 -0.057 0.000 2.080 437 R HA -0.186 4.154 4.340 -0.000 0.000 0.236 437 R C 1.828 178.118 176.300 -0.016 0.000 1.137 437 R CA 2.069 58.114 56.100 -0.091 0.000 0.943 437 R CB -0.110 30.004 30.300 -0.310 0.000 0.846 437 R HN 0.167 nan 8.270 nan 0.000 0.431 438 K N -0.430 119.958 120.400 -0.019 0.000 2.063 438 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 438 K C 2.111 178.792 176.600 0.135 0.000 1.048 438 K CA 2.126 58.449 56.287 0.061 0.000 0.928 438 K CB -0.262 32.270 32.500 0.053 0.000 0.713 438 K HN 0.473 nan 8.250 nan 0.000 0.442 439 T N -0.425 114.220 114.554 0.153 0.000 2.951 439 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 439 T C 1.939 176.810 174.700 0.285 0.000 1.073 439 T CA 0.670 62.930 62.100 0.266 0.000 1.134 439 T CB -0.235 68.801 68.868 0.279 0.000 0.884 439 T HN 0.066 nan 8.240 nan 0.000 0.479 440 L N 0.561 121.940 121.223 0.260 0.000 2.072 440 L HA 0.021 4.361 4.340 -0.000 0.000 0.205 440 L C 2.960 180.003 176.870 0.287 0.000 1.079 440 L CA 0.658 55.658 54.840 0.266 0.000 0.752 440 L CB -0.594 41.648 42.059 0.305 0.000 0.906 440 L HN 0.143 nan 8.230 nan 0.000 0.436 441 V N 0.315 120.391 119.914 0.271 0.000 2.332 441 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 441 V C 2.752 178.970 176.094 0.205 0.000 1.055 441 V CA 1.940 64.399 62.300 0.266 0.000 1.038 441 V CB -0.888 31.081 31.823 0.244 0.000 0.651 441 V HN 0.491 nan 8.190 nan 0.000 0.450 442 A N -0.213 122.726 122.820 0.197 0.000 1.898 442 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 442 A C 2.151 179.837 177.584 0.171 0.000 1.181 442 A CA 1.918 54.097 52.037 0.237 0.000 0.620 442 A CB -0.596 18.598 19.000 0.324 0.000 0.819 442 A HN 0.452 nan 8.150 nan 0.000 0.442 443 L N -1.487 119.659 121.223 -0.129 0.000 1.997 443 L HA -0.189 4.151 4.340 -0.000 0.000 0.216 443 L C 2.173 178.823 176.870 -0.366 0.000 1.074 443 L CA 2.530 56.982 54.840 -0.647 0.000 0.763 443 L CB -0.882 40.605 42.059 -0.955 0.000 0.890 443 L HN 0.378 nan 8.230 nan 0.000 0.434 444 F N -0.123 119.488 119.950 -0.565 0.000 2.163 444 F HA -0.137 4.390 4.527 -0.000 0.000 0.297 444 F C 2.361 178.124 175.800 -0.061 0.000 1.094 444 F CA 1.844 59.537 58.000 -0.512 0.000 1.290 444 F CB -0.719 37.801 39.000 -0.800 0.000 1.017 444 F HN 0.116 nan 8.300 nan 0.000 0.483 445 T N -0.219 114.442 114.554 0.178 0.000 2.708 445 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 445 T C 1.497 176.328 174.700 0.218 0.000 1.037 445 T CA 1.624 63.906 62.100 0.304 0.000 1.146 445 T CB -0.373 68.628 68.868 0.222 0.000 0.865 445 T HN 0.169 nan 8.240 nan 0.000 0.435 446 D N 0.227 120.722 120.400 0.157 0.000 2.092 446 D HA -0.126 4.514 4.640 -0.000 0.000 0.193 446 D C 1.935 178.155 176.300 -0.133 0.000 0.994 446 D CA 1.101 55.203 54.000 0.169 0.000 0.828 446 D CB -0.525 40.549 40.800 0.457 0.000 0.963 446 D HN 0.436 nan 8.370 nan 0.000 0.450 447 H N 0.418 119.168 119.070 -0.533 0.000 2.326 447 H HA -0.029 4.526 4.556 -0.000 0.000 0.301 447 H C 1.719 176.601 175.328 -0.744 0.000 1.081 447 H CA 1.220 56.720 56.048 -0.912 0.000 1.334 447 H CB 0.491 29.661 29.762 -0.986 0.000 1.385 447 H HN 0.074 nan 8.280 nan 0.000 0.504 448 Q N -1.152 118.191 119.800 -0.762 0.000 2.269 448 Q HA -0.066 4.274 4.340 -0.000 0.000 0.201 448 Q C 1.914 177.348 176.000 -0.944 0.000 0.946 448 Q CA 0.628 55.734 55.803 -1.161 0.000 0.877 448 Q CB 0.386 28.005 28.738 -1.864 0.000 0.963 448 Q HN 0.636 nan 8.270 nan 0.000 0.472 449 W N -0.950 120.176 121.300 -0.289 0.000 3.772 449 W HA 0.114 4.774 4.660 -0.000 0.000 0.224 449 W C 1.874 178.366 176.519 -0.045 0.000 1.009 449 W CA 0.031 57.304 57.345 -0.119 0.000 1.889 449 W CB -0.075 29.363 29.460 -0.037 0.000 0.909 449 W HN -0.173 nan 8.180 nan 0.000 0.794 450 V N 1.245 121.307 119.914 0.247 0.000 2.283 450 V HA -0.187 3.933 4.120 -0.000 0.000 0.243 450 V C 2.490 178.690 176.094 0.178 0.000 1.039 450 V CA 2.487 64.954 62.300 0.279 0.000 1.016 450 V CB -1.529 30.494 31.823 0.333 0.000 0.650 450 V HN 0.055 nan 8.190 nan 0.000 0.449 451 A N 1.339 124.206 122.820 0.079 0.000 1.865 451 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 451 A C 0.769 178.352 177.584 -0.002 0.000 1.191 451 A CA 2.188 54.258 52.037 0.055 0.000 0.623 451 A CB -2.008 17.016 19.000 0.041 0.000 0.826 451 A HN 0.579 nan 8.150 nan 0.000 0.444 452 P HA -0.100 nan 4.420 nan 0.000 0.220 452 P C 1.526 178.839 177.300 0.021 0.000 1.148 452 P CA 1.797 64.848 63.100 -0.081 0.000 0.803 452 P CB -0.152 31.430 31.700 -0.198 0.000 0.782 453 A N 0.096 122.969 122.820 0.088 0.000 1.902 453 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 453 A C 2.454 180.163 177.584 0.210 0.000 1.181 453 A CA 1.776 53.921 52.037 0.180 0.000 0.623 453 A CB -1.607 17.540 19.000 0.246 0.000 0.818 453 A HN 0.062 nan 8.150 nan 0.000 0.443 454 V N -0.120 119.866 119.914 0.121 0.000 2.358 454 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 454 V C 3.046 179.151 176.094 0.019 0.000 1.047 454 V CA 1.758 64.023 62.300 -0.058 0.000 1.035 454 V CB -1.236 30.538 31.823 -0.082 0.000 0.658 454 V HN 0.612 nan 8.190 nan 0.000 0.452 455 A N 0.025 122.878 122.820 0.054 0.000 1.908 455 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 455 A C 2.411 180.066 177.584 0.120 0.000 1.181 455 A CA 2.688 54.767 52.037 0.070 0.000 0.627 455 A CB -1.050 17.974 19.000 0.040 0.000 0.818 455 A HN 0.508 nan 8.150 nan 0.000 0.445 456 T N 0.320 114.957 114.554 0.139 0.000 2.708 456 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 456 T C 2.252 177.097 174.700 0.242 0.000 1.037 456 T CA 1.755 64.001 62.100 0.242 0.000 1.146 456 T CB -0.551 68.442 68.868 0.209 0.000 0.865 456 T HN 0.627 nan 8.240 nan 0.000 0.435 457 A N 2.078 124.968 122.820 0.116 0.000 1.908 457 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 457 A C 2.137 179.821 177.584 0.167 0.000 1.181 457 A CA 1.884 53.941 52.037 0.033 0.000 0.627 457 A CB -0.715 18.083 19.000 -0.336 0.000 0.818 457 A HN 0.368 nan 8.150 nan 0.000 0.445 458 D N -0.010 120.499 120.400 0.182 0.000 2.097 458 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 458 D C 1.963 178.327 176.300 0.105 0.000 0.989 458 D CA 1.087 55.198 54.000 0.185 0.000 0.827 458 D CB -0.398 40.478 40.800 0.126 0.000 0.966 458 D HN 0.444 nan 8.370 nan 0.000 0.456 459 L N 0.218 121.541 121.223 0.167 0.000 2.083 459 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 459 L C 2.544 179.554 176.870 0.233 0.000 1.083 459 L CA 1.053 56.026 54.840 0.222 0.000 0.752 459 L CB -0.427 41.838 42.059 0.343 0.000 0.899 459 L HN 0.227 nan 8.230 nan 0.000 0.433 460 H N -0.008 119.084 119.070 0.035 0.000 2.357 460 H HA -0.069 4.487 4.556 -0.000 0.000 0.301 460 H C 1.935 177.165 175.328 -0.164 0.000 1.082 460 H CA 1.508 57.322 56.048 -0.391 0.000 1.342 460 H CB 0.481 29.823 29.762 -0.700 0.000 1.389 460 H HN 0.330 nan 8.280 nan 0.000 0.511 461 A N 0.308 123.085 122.820 -0.073 0.000 2.238 461 A HA 0.007 4.327 4.320 -0.000 0.000 0.210 461 A C 2.257 179.755 177.584 -0.142 0.000 1.179 461 A CA 0.138 52.138 52.037 -0.063 0.000 0.827 461 A CB -0.178 18.897 19.000 0.124 0.000 0.856 461 A HN 0.468 nan 8.150 nan 0.000 0.488 462 Q N -1.068 118.590 119.800 -0.238 0.000 2.118 462 Q HA -0.241 4.099 4.340 -0.000 0.000 0.211 462 Q C 0.267 175.994 176.000 -0.454 0.000 0.998 462 Q CA 2.128 57.663 55.803 -0.448 0.000 0.872 462 Q CB -0.181 28.047 28.738 -0.850 0.000 0.925 462 Q HN 0.845 nan 8.270 nan 0.000 0.414 463 Y N -2.267 118.006 120.300 -0.045 0.000 2.660 463 Y HA 0.389 4.939 4.550 -0.000 0.000 0.254 463 Y C 0.922 176.786 175.900 -0.060 0.000 1.176 463 Y CA 0.149 58.223 58.100 -0.043 0.000 1.195 463 Y CB 1.145 39.585 38.460 -0.033 0.000 1.190 463 Y HN 0.194 nan 8.280 nan 0.000 0.535 464 G N -0.493 108.315 108.800 0.013 0.000 2.184 464 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.206 464 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.206 464 G C 0.077 174.952 174.900 -0.042 0.000 0.995 464 G CA -0.078 45.014 45.100 -0.014 0.000 0.651 464 G HN 0.176 nan 8.290 nan 0.000 0.511 465 S N 2.287 117.927 115.700 -0.101 0.000 2.549 465 S HA 0.457 4.927 4.470 -0.000 0.000 0.283 465 S C -2.022 172.548 174.600 -0.049 0.000 1.320 465 S CA -0.476 57.642 58.200 -0.136 0.000 1.058 465 S CB 1.178 64.132 63.200 -0.409 0.000 0.882 465 S HN 0.241 nan 8.310 nan 0.000 0.498 466 P HA 0.171 nan 4.420 nan 0.000 0.267 466 P C -0.837 176.557 177.300 0.157 0.000 1.209 466 P CA 0.130 63.268 63.100 0.064 0.000 0.763 466 P CB 0.360 32.148 31.700 0.146 0.000 0.816 467 T N 3.201 117.722 114.554 -0.055 0.000 2.952 467 T HA 0.493 4.843 4.350 -0.000 0.000 0.305 467 T C -1.198 173.327 174.700 -0.291 0.000 1.064 467 T CA -0.333 61.779 62.100 0.019 0.000 1.008 467 T CB 0.745 69.742 68.868 0.215 0.000 1.078 467 T HN 0.093 nan 8.240 nan 0.000 0.459 468 Y N 1.244 121.525 120.300 -0.032 0.000 2.406 468 Y HA 0.700 5.250 4.550 -0.000 0.000 0.340 468 Y C -0.788 175.191 175.900 0.132 0.000 0.975 468 Y CA -1.204 56.835 58.100 -0.102 0.000 1.056 468 Y CB 1.753 39.728 38.460 -0.809 0.000 1.210 468 Y HN 0.691 nan 8.280 nan 0.000 0.448 469 F N 4.623 124.836 119.950 0.439 0.000 2.520 469 F HA 0.618 5.145 4.527 -0.000 0.000 0.322 469 F C -1.169 174.964 175.800 0.555 0.000 1.103 469 F CA -1.206 56.961 58.000 0.278 0.000 0.926 469 F CB 1.100 40.069 39.000 -0.051 0.000 1.154 469 F HN 0.461 nan 8.300 nan 0.000 0.453 470 Y N 2.717 122.983 120.300 -0.057 0.000 2.576 470 Y HA 0.898 5.448 4.550 -0.000 0.000 0.346 470 Y C -1.609 174.191 175.900 -0.168 0.000 1.018 470 Y CA -1.612 56.480 58.100 -0.015 0.000 1.050 470 Y CB 1.323 39.756 38.460 -0.045 0.000 1.280 470 Y HN 0.727 nan 8.280 nan 0.000 0.474 471 A N 3.224 126.138 122.820 0.157 0.000 2.343 471 A HA 0.639 4.959 4.320 -0.000 0.000 0.308 471 A C -2.175 175.613 177.584 0.340 0.000 1.092 471 A CA -0.549 51.523 52.037 0.059 0.000 0.751 471 A CB 0.521 19.318 19.000 -0.338 0.000 1.203 471 A HN 0.765 nan 8.150 nan 0.000 0.452 472 F N 2.660 122.770 119.950 0.266 0.000 2.385 472 F HA 0.550 5.077 4.527 -0.000 0.000 0.360 472 F C -0.410 175.476 175.800 0.144 0.000 1.122 472 F CA -0.032 58.075 58.000 0.178 0.000 1.090 472 F CB 1.008 40.115 39.000 0.177 0.000 1.150 472 F HN 0.616 nan 8.300 nan 0.000 0.472 473 Y N 4.226 124.278 120.300 -0.413 0.000 2.696 473 Y HA 0.213 4.763 4.550 -0.000 0.000 0.260 473 Y C -0.370 175.454 175.900 -0.127 0.000 1.165 473 Y CA -0.428 57.556 58.100 -0.194 0.000 1.189 473 Y CB -0.399 37.895 38.460 -0.277 0.000 1.180 473 Y HN 0.583 nan 8.280 nan 0.000 0.538 474 H N -0.155 118.734 119.070 -0.302 0.000 2.768 474 H HA 0.525 5.081 4.556 -0.000 0.000 0.371 474 H C -1.030 174.371 175.328 0.122 0.000 1.151 474 H CA -0.974 54.954 56.048 -0.199 0.000 1.165 474 H CB 1.017 30.519 29.762 -0.434 0.000 1.722 474 H HN 0.267 nan 8.280 nan 0.000 0.543 475 H N 0.843 119.637 119.070 -0.460 0.000 2.928 475 H HA 0.491 5.046 4.556 -0.000 0.000 0.371 475 H C -0.357 174.808 175.328 -0.273 0.000 1.186 475 H CA -0.934 55.037 56.048 -0.128 0.000 1.134 475 H CB 0.280 30.039 29.762 -0.006 0.000 1.824 475 H HN 0.837 nan 8.280 nan 0.000 0.554 476 c N 1.220 119.946 118.600 0.209 0.000 2.656 476 c HA 0.263 4.833 4.570 -0.000 0.000 0.391 476 c C 0.641 174.761 174.090 0.049 0.000 1.300 476 c CA -0.842 55.577 56.329 0.150 0.000 2.302 476 c CB 0.360 42.948 42.510 0.130 0.000 2.655 476 c HN 0.911 nan 8.230 nan 0.000 0.656 477 Q N 1.608 121.390 119.800 -0.029 0.000 2.297 477 Q HA 0.329 4.669 4.340 -0.000 0.000 0.267 477 Q C -0.240 175.732 176.000 -0.047 0.000 1.006 477 Q CA 0.847 56.637 55.803 -0.022 0.000 0.896 477 Q CB 1.053 29.770 28.738 -0.034 0.000 1.186 477 Q HN 0.990 nan 8.270 nan 0.000 0.392 478 S N 2.903 118.598 115.700 -0.008 0.000 2.614 478 S HA 0.133 4.603 4.470 -0.000 0.000 0.275 478 S C 0.270 174.847 174.600 -0.039 0.000 1.161 478 S CA -0.600 57.581 58.200 -0.031 0.000 0.969 478 S CB 1.558 64.753 63.200 -0.009 0.000 1.059 478 S HN 0.795 nan 8.310 nan 0.000 0.482 479 E N 3.486 123.660 120.200 -0.044 0.000 2.274 479 E HA 0.023 4.373 4.350 -0.000 0.000 0.194 479 E C 1.170 177.735 176.600 -0.058 0.000 0.996 479 E CA 0.907 57.280 56.400 -0.045 0.000 0.840 479 E CB 0.030 29.709 29.700 -0.035 0.000 0.772 479 E HN 0.791 nan 8.360 nan 0.000 0.491 480 M N 0.412 119.976 119.600 -0.060 0.000 2.561 480 M HA 0.071 4.550 4.480 -0.000 0.000 0.238 480 M C 0.291 176.525 176.300 -0.110 0.000 1.131 480 M CA 0.174 55.431 55.300 -0.071 0.000 1.046 480 M CB 0.434 33.001 32.600 -0.055 0.000 1.532 480 M HN -0.209 nan 8.290 nan 0.000 0.497 481 K N 1.792 122.112 120.400 -0.132 0.000 2.201 481 K HA 0.323 4.642 4.320 -0.000 0.000 0.278 481 K C -2.440 173.983 176.600 -0.296 0.000 1.027 481 K CA -1.778 54.378 56.287 -0.219 0.000 0.909 481 K CB 0.845 33.221 32.500 -0.207 0.000 1.062 481 K HN -0.189 nan 8.250 nan 0.000 0.465 482 P HA -0.012 nan 4.420 nan 0.000 0.267 482 P C -0.023 176.896 177.300 -0.635 0.000 1.200 482 P CA -0.087 62.579 63.100 -0.723 0.000 0.772 482 P CB 0.853 31.630 31.700 -1.537 0.000 0.855 483 S N 1.364 116.821 115.700 -0.405 0.000 2.419 483 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 483 S C 1.439 176.014 174.600 -0.042 0.000 1.016 483 S CA 0.570 58.686 58.200 -0.140 0.000 0.974 483 S CB -0.949 62.247 63.200 -0.007 0.000 0.786 483 S HN 0.731 nan 8.310 nan 0.000 0.492 484 W N 1.642 122.969 121.300 0.045 0.000 3.003 484 W HA 0.602 5.262 4.660 -0.000 0.000 0.257 484 W C 0.553 177.098 176.519 0.044 0.000 1.308 484 W CA -0.457 56.917 57.345 0.048 0.000 1.529 484 W CB -0.622 28.861 29.460 0.038 0.000 1.115 484 W HN 0.309 nan 8.180 nan 0.000 0.659 485 A N 2.855 125.589 122.820 -0.144 0.000 2.477 485 A HA 0.166 4.486 4.320 -0.000 0.000 0.246 485 A C 0.129 177.698 177.584 -0.025 0.000 1.078 485 A CA 0.085 52.063 52.037 -0.099 0.000 0.770 485 A CB 0.261 18.966 19.000 -0.493 0.000 1.011 485 A HN 0.085 nan 8.150 nan 0.000 0.494 486 D N 0.706 121.136 120.400 0.050 0.000 2.433 486 D HA 0.205 4.845 4.640 -0.000 0.000 0.255 486 D C 0.554 176.811 176.300 -0.072 0.000 1.226 486 D CA -0.027 54.004 54.000 0.051 0.000 1.015 486 D CB 0.571 41.393 40.800 0.036 0.000 1.091 486 D HN 0.480 nan 8.370 nan 0.000 0.527 487 S N -0.647 115.090 115.700 0.060 0.000 2.673 487 S HA 0.273 4.743 4.470 -0.000 0.000 0.308 487 S C -0.201 174.389 174.600 -0.016 0.000 1.246 487 S CA -0.418 57.828 58.200 0.078 0.000 1.077 487 S CB -0.327 62.987 63.200 0.191 0.000 0.814 487 S HN 0.427 nan 8.310 nan 0.000 0.503 488 A N 4.170 126.965 122.820 -0.040 0.000 2.263 488 A HA 0.552 4.872 4.320 -0.000 0.000 0.318 488 A C -0.355 177.211 177.584 -0.031 0.000 1.111 488 A CA -0.645 51.356 52.037 -0.059 0.000 0.901 488 A CB 0.059 19.008 19.000 -0.086 0.000 1.280 488 A HN 0.959 nan 8.150 nan 0.000 0.503 489 H N -0.726 118.222 119.070 -0.203 0.000 3.046 489 H HA 0.368 4.924 4.556 -0.000 0.000 0.303 489 H C 1.348 176.629 175.328 -0.078 0.000 1.002 489 H CA 1.507 57.420 56.048 -0.226 0.000 1.460 489 H CB 0.165 29.759 29.762 -0.280 0.000 1.493 489 H HN 1.420 nan 8.280 nan 0.000 0.559 490 G N 4.335 112.963 108.800 -0.288 0.000 2.194 490 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.236 490 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.236 490 G C 1.109 176.258 174.900 0.415 0.000 0.987 490 G CA 0.360 45.514 45.100 0.091 0.000 0.635 490 G HN 0.620 nan 8.290 nan 0.000 0.520 491 D N 0.952 121.483 120.400 0.219 0.000 2.348 491 D HA 0.019 4.659 4.640 -0.000 0.000 0.216 491 D C 2.378 178.782 176.300 0.173 0.000 0.970 491 D CA 1.206 55.380 54.000 0.291 0.000 0.889 491 D CB 0.021 40.988 40.800 0.279 0.000 0.912 491 D HN 0.726 nan 8.370 nan 0.000 0.524 492 E N 0.862 120.953 120.200 -0.182 0.000 2.299 492 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 492 E C 1.925 178.377 176.600 -0.245 0.000 0.998 492 E CA 0.326 56.332 56.400 -0.657 0.000 0.851 492 E CB -0.470 28.595 29.700 -1.058 0.000 0.795 492 E HN 0.078 nan 8.360 nan 0.000 0.492 493 V N 2.747 122.620 119.914 -0.068 0.000 2.282 493 V HA -0.194 3.926 4.120 -0.000 0.000 0.249 493 V C -0.420 175.460 176.094 -0.357 0.000 1.057 493 V CA 2.452 64.692 62.300 -0.100 0.000 1.032 493 V CB -1.786 30.050 31.823 0.021 0.000 0.645 493 V HN 0.283 nan 8.190 nan 0.000 0.447 494 P HA -0.166 nan 4.420 nan 0.000 0.219 494 P C 1.224 178.036 177.300 -0.812 0.000 1.146 494 P CA 1.721 64.273 63.100 -0.914 0.000 0.808 494 P CB -0.122 31.102 31.700 -0.793 0.000 0.779 495 Y N -0.812 119.251 120.300 -0.395 0.000 2.314 495 Y HA -0.065 4.485 4.550 -0.000 0.000 0.294 495 Y C 2.580 178.151 175.900 -0.548 0.000 1.119 495 Y CA 0.527 58.389 58.100 -0.396 0.000 1.179 495 Y CB -1.387 36.950 38.460 -0.205 0.000 1.025 495 Y HN -0.291 nan 8.280 nan 0.000 0.541 496 V N -0.880 118.708 119.914 -0.543 0.000 2.407 496 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 496 V C 1.127 176.700 176.094 -0.868 0.000 1.055 496 V CA 1.732 63.512 62.300 -0.866 0.000 1.049 496 V CB -0.606 30.662 31.823 -0.926 0.000 0.662 496 V HN 0.291 nan 8.190 nan 0.000 0.455 497 F N 0.033 119.713 119.950 -0.451 0.000 2.639 497 F HA 0.498 5.025 4.527 -0.000 0.000 0.302 497 F C 1.680 177.206 175.800 -0.456 0.000 1.097 497 F CA 0.303 58.045 58.000 -0.430 0.000 1.294 497 F CB -0.075 38.628 39.000 -0.494 0.000 1.027 497 F HN 0.206 nan 8.300 nan 0.000 0.550 498 G N 0.747 109.313 108.800 -0.391 0.000 2.179 498 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.257 498 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.257 498 G C 1.245 175.871 174.900 -0.456 0.000 1.010 498 G CA 0.611 45.459 45.100 -0.421 0.000 0.736 498 G HN 0.467 nan 8.290 nan 0.000 0.513 499 I N 0.357 120.577 120.570 -0.584 0.000 2.264 499 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 499 I C 0.276 175.962 176.117 -0.717 0.000 1.111 499 I CA 1.529 62.464 61.300 -0.609 0.000 1.382 499 I CB -0.807 36.746 38.000 -0.744 0.000 1.060 499 I HN 0.165 nan 8.210 nan 0.000 0.418 500 P HA -0.144 nan 4.420 nan 0.000 0.221 500 P C 1.650 178.682 177.300 -0.447 0.000 1.145 500 P CA 1.438 63.910 63.100 -1.046 0.000 0.795 500 P CB -0.074 31.032 31.700 -0.989 0.000 0.775 501 M N -1.639 117.740 119.600 -0.368 0.000 2.562 501 M HA 0.019 4.499 4.480 -0.000 0.000 0.257 501 M C 1.763 177.975 176.300 -0.146 0.000 1.099 501 M CA 1.194 56.364 55.300 -0.218 0.000 1.099 501 M CB -0.454 32.022 32.600 -0.206 0.000 1.427 501 M HN 0.046 nan 8.290 nan 0.000 0.489 502 I N -3.215 117.262 120.570 -0.156 0.000 3.039 502 I HA 0.524 4.694 4.170 -0.000 0.000 0.270 502 I C 1.024 177.120 176.117 -0.034 0.000 1.150 502 I CA 0.287 61.538 61.300 -0.082 0.000 1.448 502 I CB -0.062 37.892 38.000 -0.076 0.000 1.197 502 I HN 0.219 nan 8.210 nan 0.000 0.450 503 G N 1.692 110.482 108.800 -0.017 0.000 2.316 503 G HA2 0.016 3.976 3.960 -0.000 0.000 0.349 503 G HA3 0.016 3.976 3.960 -0.000 0.000 0.349 503 G C -3.081 171.969 174.900 0.250 0.000 1.274 503 G CA -0.662 44.507 45.100 0.114 0.000 1.018 503 G HN 0.087 nan 8.290 nan 0.000 0.486 504 P HA 0.317 nan 4.420 nan 0.000 0.266 504 P C 0.499 177.876 177.300 0.127 0.000 1.215 504 P CA 0.812 64.006 63.100 0.157 0.000 0.763 504 P CB 0.728 32.448 31.700 0.034 0.000 0.806 505 T N -0.365 114.288 114.554 0.165 0.000 2.910 505 T HA 0.251 4.601 4.350 -0.000 0.000 0.279 505 T C 1.234 176.003 174.700 0.115 0.000 0.989 505 T CA -0.323 61.856 62.100 0.133 0.000 0.968 505 T CB 1.340 70.302 68.868 0.158 0.000 1.135 505 T HN 0.142 nan 8.240 nan 0.000 0.562 506 E N -0.397 119.857 120.200 0.091 0.000 2.051 506 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 506 E C 1.794 178.418 176.600 0.039 0.000 0.991 506 E CA 1.042 57.476 56.400 0.057 0.000 0.799 506 E CB -0.525 29.204 29.700 0.048 0.000 0.748 506 E HN 0.572 nan 8.360 nan 0.000 0.449 507 L N -0.745 120.504 121.223 0.043 0.000 2.056 507 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 507 L C 0.151 176.817 176.870 -0.340 0.000 1.078 507 L CA 1.323 56.080 54.840 -0.139 0.000 0.749 507 L CB -0.035 41.892 42.059 -0.220 0.000 0.901 507 L HN 0.026 nan 8.230 nan 0.000 0.433 508 F N -1.089 118.876 119.950 0.026 0.000 2.307 508 F HA 0.387 4.914 4.527 -0.000 0.000 0.369 508 F C 1.273 177.062 175.800 -0.017 0.000 1.076 508 F CA -0.009 58.001 58.000 0.016 0.000 1.149 508 F CB 0.887 39.867 39.000 -0.035 0.000 1.410 508 F HN -0.085 nan 8.300 nan 0.000 0.481 509 S N 0.443 116.179 115.700 0.061 0.000 2.765 509 S HA -0.196 4.274 4.470 -0.000 0.000 0.266 509 S C -0.369 174.212 174.600 -0.031 0.000 1.302 509 S CA 0.470 58.687 58.200 0.027 0.000 1.274 509 S CB -1.375 61.861 63.200 0.059 0.000 1.559 509 S HN 0.687 nan 8.310 nan 0.000 0.658 510 c N 2.275 120.766 118.600 -0.181 0.000 2.797 510 c HA 0.664 5.234 4.570 -0.000 0.000 0.306 510 c C -0.095 173.631 174.090 -0.607 0.000 1.207 510 c CA -1.030 55.012 56.329 -0.478 0.000 1.507 510 c CB 1.707 43.616 42.510 -1.002 0.000 2.028 510 c HN 0.609 nan 8.230 nan 0.000 0.475 511 N N 1.031 119.446 118.700 -0.475 0.000 2.473 511 N HA 0.659 5.399 4.740 -0.000 0.000 0.291 511 N C -1.292 173.947 175.510 -0.453 0.000 1.083 511 N CA -0.090 52.739 53.050 -0.369 0.000 0.951 511 N CB 0.947 39.345 38.487 -0.147 0.000 1.164 511 N HN 0.430 nan 8.380 nan 0.000 0.480 512 F N -0.160 119.799 119.950 0.014 0.000 2.532 512 F HA 0.399 4.926 4.527 -0.000 0.000 0.321 512 F C 0.927 176.740 175.800 0.021 0.000 1.089 512 F CA -0.801 57.209 58.000 0.017 0.000 0.926 512 F CB 1.485 40.467 39.000 -0.030 0.000 1.168 512 F HN 0.328 nan 8.300 nan 0.000 0.459 513 S N 1.252 117.103 115.700 0.252 0.000 2.766 513 S HA 0.491 4.961 4.470 -0.000 0.000 0.307 513 S C 0.837 175.497 174.600 0.100 0.000 1.121 513 S CA -0.837 57.445 58.200 0.137 0.000 0.980 513 S CB 1.732 64.996 63.200 0.107 0.000 1.159 513 S HN 0.630 nan 8.310 nan 0.000 0.546 514 K N 0.618 121.048 120.400 0.051 0.000 2.113 514 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 514 K C 1.610 178.210 176.600 0.001 0.000 1.047 514 K CA 1.733 58.029 56.287 0.016 0.000 0.928 514 K CB -0.431 32.072 32.500 0.005 0.000 0.716 514 K HN 0.474 nan 8.250 nan 0.000 0.446 515 N N 1.164 119.868 118.700 0.007 0.000 2.188 515 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 515 N C 1.224 176.710 175.510 -0.040 0.000 1.018 515 N CA 1.153 54.177 53.050 -0.043 0.000 0.858 515 N CB -0.250 38.196 38.487 -0.068 0.000 0.989 515 N HN 0.219 nan 8.380 nan 0.000 0.426 516 D N 0.489 120.944 120.400 0.092 0.000 2.144 516 D HA -0.053 4.587 4.640 -0.000 0.000 0.200 516 D C 2.048 178.389 176.300 0.068 0.000 0.978 516 D CA 0.534 54.684 54.000 0.250 0.000 0.833 516 D CB -0.026 41.046 40.800 0.452 0.000 0.961 516 D HN 0.014 nan 8.370 nan 0.000 0.470 517 V N 1.510 121.402 119.914 -0.037 0.000 2.295 517 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 517 V C 2.522 178.546 176.094 -0.117 0.000 1.049 517 V CA 1.233 63.459 62.300 -0.124 0.000 1.024 517 V CB -0.341 31.423 31.823 -0.098 0.000 0.648 517 V HN 0.191 nan 8.190 nan 0.000 0.447 518 M N -0.796 118.753 119.600 -0.084 0.000 2.132 518 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 518 M C 2.212 178.442 176.300 -0.117 0.000 1.065 518 M CA 1.626 56.869 55.300 -0.095 0.000 1.122 518 M CB -1.373 31.178 32.600 -0.082 0.000 1.365 518 M HN 0.390 nan 8.290 nan 0.000 0.411 519 L N -0.065 121.088 121.223 -0.117 0.000 2.046 519 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 519 L C 2.626 179.443 176.870 -0.088 0.000 1.077 519 L CA 1.869 56.619 54.840 -0.150 0.000 0.747 519 L CB -1.015 40.880 42.059 -0.274 0.000 0.896 519 L HN 0.262 nan 8.230 nan 0.000 0.432 520 S N -0.900 114.792 115.700 -0.013 0.000 2.370 520 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 520 S C 2.131 176.539 174.600 -0.320 0.000 1.033 520 S CA 1.272 59.388 58.200 -0.140 0.000 1.011 520 S CB -0.457 62.577 63.200 -0.277 0.000 0.852 520 S HN 0.685 nan 8.310 nan 0.000 0.457 521 A N 0.583 123.214 122.820 -0.316 0.000 1.902 521 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 521 A C 2.317 179.785 177.584 -0.194 0.000 1.181 521 A CA 1.690 53.513 52.037 -0.357 0.000 0.623 521 A CB -0.965 17.935 19.000 -0.166 0.000 0.818 521 A HN 0.433 nan 8.150 nan 0.000 0.443 522 V N -0.420 119.388 119.914 -0.176 0.000 2.295 522 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 522 V C 2.586 178.578 176.094 -0.169 0.000 1.049 522 V CA 2.083 64.256 62.300 -0.211 0.000 1.024 522 V CB -0.740 30.983 31.823 -0.167 0.000 0.648 522 V HN 0.377 nan 8.190 nan 0.000 0.447 523 V N -0.661 119.174 119.914 -0.133 0.000 2.307 523 V HA -0.305 3.815 4.120 -0.000 0.000 0.245 523 V C 2.379 178.367 176.094 -0.177 0.000 1.045 523 V CA 2.325 64.517 62.300 -0.180 0.000 1.024 523 V CB -0.551 31.008 31.823 -0.440 0.000 0.651 523 V HN 0.443 nan 8.190 nan 0.000 0.449 524 M N -0.505 118.941 119.600 -0.256 0.000 2.149 524 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 524 M C 2.222 178.607 176.300 0.142 0.000 1.064 524 M CA 1.978 57.188 55.300 -0.150 0.000 1.102 524 M CB -0.740 31.642 32.600 -0.365 0.000 1.369 524 M HN 0.389 nan 8.290 nan 0.000 0.408 525 T N -0.448 114.196 114.554 0.151 0.000 2.777 525 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 525 T C 1.490 176.303 174.700 0.188 0.000 1.040 525 T CA 1.222 63.417 62.100 0.159 0.000 1.141 525 T CB -0.308 68.581 68.868 0.034 0.000 0.868 525 T HN 0.251 nan 8.240 nan 0.000 0.444 526 Y N 0.093 120.553 120.300 0.266 0.000 2.114 526 Y HA -0.058 4.492 4.550 -0.000 0.000 0.284 526 Y C 2.388 178.490 175.900 0.335 0.000 1.143 526 Y CA 0.222 58.530 58.100 0.348 0.000 1.135 526 Y CB -0.736 38.078 38.460 0.590 0.000 0.980 526 Y HN 0.326 nan 8.280 nan 0.000 0.499 527 W N 0.412 121.802 121.300 0.150 0.000 2.335 527 W HA -0.252 4.408 4.660 -0.000 0.000 0.311 527 W C 2.478 179.001 176.519 0.007 0.000 1.213 527 W CA 2.022 59.365 57.345 -0.004 0.000 1.274 527 W CB -0.610 28.764 29.460 -0.143 0.000 1.148 527 W HN 0.229 nan 8.180 nan 0.000 0.498 528 T N -2.453 112.246 114.554 0.241 0.000 2.942 528 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 528 T C 1.414 176.171 174.700 0.096 0.000 1.062 528 T CA 1.120 63.297 62.100 0.127 0.000 1.139 528 T CB -0.578 68.360 68.868 0.116 0.000 0.883 528 T HN -0.104 nan 8.240 nan 0.000 0.468 529 N N 1.168 119.943 118.700 0.125 0.000 2.069 529 N HA -0.038 4.702 4.740 -0.000 0.000 0.191 529 N C 1.338 176.877 175.510 0.049 0.000 1.031 529 N CA 1.200 54.301 53.050 0.084 0.000 0.852 529 N CB -0.833 37.725 38.487 0.119 0.000 1.018 529 N HN 0.463 nan 8.380 nan 0.000 0.423 530 F N 1.517 121.409 119.950 -0.097 0.000 2.091 530 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 530 F C 2.169 177.891 175.800 -0.130 0.000 1.103 530 F CA 1.642 59.524 58.000 -0.197 0.000 1.228 530 F CB -0.482 38.306 39.000 -0.353 0.000 0.984 530 F HN 0.065 nan 8.300 nan 0.000 0.477 531 A N -0.160 122.624 122.820 -0.060 0.000 1.972 531 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 531 A C 2.210 179.729 177.584 -0.107 0.000 1.169 531 A CA 1.851 53.824 52.037 -0.107 0.000 0.635 531 A CB -0.614 18.368 19.000 -0.030 0.000 0.810 531 A HN 0.490 nan 8.150 nan 0.000 0.446 532 K N -1.192 119.166 120.400 -0.070 0.000 2.062 532 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 532 K C 1.738 178.291 176.600 -0.077 0.000 1.051 532 K CA 1.724 57.982 56.287 -0.050 0.000 0.941 532 K CB -0.038 32.451 32.500 -0.019 0.000 0.719 532 K HN 0.690 nan 8.250 nan 0.000 0.440 533 T N -5.286 109.196 114.554 -0.119 0.000 3.009 533 T HA 0.246 4.596 4.350 -0.000 0.000 0.267 533 T C 1.253 175.847 174.700 -0.177 0.000 0.942 533 T CA 0.311 62.345 62.100 -0.110 0.000 0.883 533 T CB 1.098 69.932 68.868 -0.056 0.000 1.192 533 T HN 0.263 nan 8.240 nan 0.000 0.524 534 G N 1.439 110.014 108.800 -0.375 0.000 2.179 534 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.260 534 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.260 534 G C -0.289 174.481 174.900 -0.217 0.000 0.977 534 G CA 0.270 45.062 45.100 -0.514 0.000 0.641 534 G HN 0.785 nan 8.290 nan 0.000 0.533 535 D N -0.158 120.160 120.400 -0.137 0.000 2.549 535 D HA 0.471 5.111 4.640 -0.000 0.000 0.251 535 D C -1.142 175.088 176.300 -0.117 0.000 1.153 535 D CA -1.889 52.053 54.000 -0.096 0.000 0.861 535 D CB 2.043 42.855 40.800 0.019 0.000 1.207 535 D HN 0.035 nan 8.370 nan 0.000 0.543 536 P HA -0.053 nan 4.420 nan 0.000 0.228 536 P C 0.533 177.966 177.300 0.222 0.000 1.151 536 P CA 0.551 63.618 63.100 -0.055 0.000 0.770 536 P CB 0.496 31.966 31.700 -0.383 0.000 0.786 537 N N -0.723 118.064 118.700 0.145 0.000 2.422 537 N HA 0.005 4.745 4.740 -0.000 0.000 0.181 537 N C 0.480 176.059 175.510 0.115 0.000 1.080 537 N CA 0.620 53.788 53.050 0.196 0.000 0.893 537 N CB 0.164 38.769 38.487 0.196 0.000 0.973 537 N HN 0.287 nan 8.380 nan 0.000 0.456 538 Q N 0.433 120.277 119.800 0.074 0.000 2.325 538 Q HA 0.301 4.641 4.340 -0.000 0.000 0.270 538 Q C -1.856 174.161 176.000 0.027 0.000 1.020 538 Q CA -1.685 54.144 55.803 0.045 0.000 0.785 538 Q CB 2.613 31.370 28.738 0.033 0.000 1.259 538 Q HN 0.048 nan 8.270 nan 0.000 0.452 539 P HA 0.014 nan 4.420 nan 0.000 0.226 539 P C 0.417 177.716 177.300 -0.001 0.000 1.161 539 P CA 0.440 63.543 63.100 0.006 0.000 0.804 539 P CB 0.891 32.589 31.700 -0.004 0.000 0.829 557 V N 1.693 121.694 119.914 0.145 0.000 2.617 557 V HA 0.140 4.260 4.120 -0.000 0.000 0.304 557 V C 0.354 176.619 176.094 0.286 0.000 1.040 557 V CA 0.615 63.020 62.300 0.175 0.000 1.149 557 V CB 0.693 32.600 31.823 0.140 0.000 0.914 557 V HN 0.714 nan 8.190 nan 0.000 0.487 558 A N 6.703 129.654 122.820 0.218 0.000 2.451 558 A HA 0.190 4.510 4.320 -0.000 0.000 0.266 558 A C -0.342 177.431 177.584 0.314 0.000 1.119 558 A CA -0.249 51.944 52.037 0.259 0.000 0.786 558 A CB -0.183 18.925 19.000 0.181 0.000 1.061 558 A HN 0.889 nan 8.150 nan 0.000 0.503 559 W N 4.582 125.963 121.300 0.134 0.000 2.317 559 W HA 0.450 5.110 4.660 -0.000 0.000 0.327 559 W C -0.530 176.123 176.519 0.222 0.000 1.036 559 W CA -1.072 56.324 57.345 0.085 0.000 1.419 559 W CB 0.443 29.825 29.460 -0.130 0.000 1.253 559 W HN 0.609 nan 8.180 nan 0.000 0.392 560 S N 5.641 121.668 115.700 0.545 0.000 2.585 560 S HA 0.346 4.815 4.470 -0.000 0.000 0.273 560 S C 0.541 175.325 174.600 0.307 0.000 1.339 560 S CA -0.568 57.841 58.200 0.348 0.000 1.028 560 S CB 0.780 64.111 63.200 0.218 0.000 0.906 560 S HN 0.282 nan 8.310 nan 0.000 0.528 561 R N 1.125 121.642 120.500 0.028 0.000 2.623 561 R HA 0.037 4.377 4.340 -0.000 0.000 0.271 561 R C -0.444 175.822 176.300 -0.058 0.000 1.043 561 R CA 0.066 55.983 56.100 -0.306 0.000 1.083 561 R CB 0.103 30.215 30.300 -0.314 0.000 0.974 561 R HN 0.654 nan 8.270 nan 0.000 0.436 562 Y N 3.260 123.465 120.300 -0.159 0.000 2.335 562 Y HA 0.081 4.630 4.550 -0.000 0.000 0.331 562 Y C -0.119 175.737 175.900 -0.073 0.000 1.094 562 Y CA -0.291 57.793 58.100 -0.027 0.000 1.253 562 Y CB 0.580 39.083 38.460 0.072 0.000 1.203 562 Y HN 0.717 nan 8.280 nan 0.000 0.508 563 N N 4.769 123.080 118.700 -0.649 0.000 2.455 563 N HA 0.492 5.232 4.740 -0.000 0.000 0.278 563 N C -2.890 172.185 175.510 -0.725 0.000 1.291 563 N CA -2.212 50.536 53.050 -0.502 0.000 0.780 563 N CB 1.936 40.276 38.487 -0.244 0.000 1.520 563 N HN 0.167 nan 8.380 nan 0.000 0.486 564 P HA -0.088 nan 4.420 nan 0.000 0.226 564 P C 0.789 177.960 177.300 -0.216 0.000 1.153 564 P CA 1.078 64.024 63.100 -0.256 0.000 0.777 564 P CB 0.336 31.977 31.700 -0.098 0.000 0.794 565 K N 0.136 120.419 120.400 -0.196 0.000 1.995 565 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 565 K C 1.382 177.906 176.600 -0.127 0.000 1.041 565 K CA 1.477 57.697 56.287 -0.111 0.000 0.942 565 K CB -0.281 32.172 32.500 -0.077 0.000 0.731 565 K HN -0.074 nan 8.250 nan 0.000 0.439 566 D N 0.292 120.576 120.400 -0.194 0.000 2.271 566 D HA -0.050 4.590 4.640 -0.000 0.000 0.206 566 D C -0.055 176.032 176.300 -0.354 0.000 0.967 566 D CA 0.422 54.325 54.000 -0.161 0.000 0.867 566 D CB 0.337 41.078 40.800 -0.099 0.000 0.960 566 D HN 0.262 nan 8.370 nan 0.000 0.509 567 Q N 0.232 119.715 119.800 -0.528 0.000 2.468 567 Q HA -0.179 4.161 4.340 -0.000 0.000 0.289 567 Q C -0.536 175.382 176.000 -0.137 0.000 1.299 567 Q CA 0.082 55.518 55.803 -0.612 0.000 0.838 567 Q CB -1.796 26.540 28.738 -0.670 0.000 1.195 567 Q HN 0.384 nan 8.270 nan 0.000 0.456 568 L N 1.504 122.699 121.223 -0.046 0.000 2.367 568 L HA 0.388 4.728 4.340 -0.000 0.000 0.275 568 L C 0.239 177.374 176.870 0.442 0.000 1.129 568 L CA -0.322 54.616 54.840 0.163 0.000 0.839 568 L CB 0.016 42.136 42.059 0.102 0.000 1.133 568 L HN 0.184 nan 8.230 nan 0.000 0.453 569 Y N 2.093 122.569 120.300 0.295 0.000 2.581 569 Y HA 0.681 5.230 4.550 -0.000 0.000 0.345 569 Y C -1.230 174.762 175.900 0.155 0.000 1.036 569 Y CA -1.830 56.493 58.100 0.372 0.000 1.042 569 Y CB 1.317 40.031 38.460 0.424 0.000 1.289 569 Y HN 0.323 nan 8.280 nan 0.000 0.471 570 L N 3.524 124.731 121.223 -0.026 0.000 2.260 570 L HA 0.349 4.689 4.340 -0.000 0.000 0.289 570 L C -0.391 176.380 176.870 -0.165 0.000 1.057 570 L CA -0.316 54.252 54.840 -0.454 0.000 0.811 570 L CB 0.091 41.337 42.059 -1.354 0.000 1.184 570 L HN 0.902 nan 8.230 nan 0.000 0.429 571 H N 5.430 124.325 119.070 -0.292 0.000 3.017 571 H HA 0.334 4.890 4.556 -0.000 0.000 0.276 571 H C -0.644 174.559 175.328 -0.208 0.000 1.062 571 H CA 0.001 55.951 56.048 -0.164 0.000 1.486 571 H CB 0.183 29.800 29.762 -0.241 0.000 1.507 571 H HN 0.619 nan 8.280 nan 0.000 0.508 572 I N 6.192 126.547 120.570 -0.358 0.000 2.321 572 I HA 0.443 4.613 4.170 -0.000 0.000 0.291 572 I C 0.850 176.595 176.117 -0.619 0.000 0.998 572 I CA 0.199 61.269 61.300 -0.383 0.000 1.227 572 I CB 1.260 39.078 38.000 -0.303 0.000 1.368 572 I HN 0.876 nan 8.210 nan 0.000 0.466 573 G N 4.727 113.275 108.800 -0.421 0.000 2.435 573 G HA2 0.228 4.188 3.960 -0.000 0.000 0.296 573 G HA3 0.228 4.188 3.960 -0.000 0.000 0.296 573 G C 0.067 174.800 174.900 -0.278 0.000 1.240 573 G CA -0.719 44.151 45.100 -0.384 0.000 0.872 573 G HN 0.395 nan 8.290 nan 0.000 0.480 574 L N -0.238 120.847 121.223 -0.230 0.000 2.376 574 L HA 0.204 4.544 4.340 -0.000 0.000 0.219 574 L C 0.923 177.730 176.870 -0.105 0.000 1.133 574 L CA 1.006 55.721 54.840 -0.209 0.000 0.816 574 L CB -0.215 41.727 42.059 -0.195 0.000 0.933 574 L HN 0.205 nan 8.230 nan 0.000 0.449 575 K N 0.504 120.877 120.400 -0.045 0.000 2.679 575 K HA 0.312 4.632 4.320 -0.000 0.000 0.188 575 K C -2.465 174.125 176.600 -0.017 0.000 1.055 575 K CA -1.688 54.570 56.287 -0.048 0.000 1.006 575 K CB 1.187 33.641 32.500 -0.077 0.000 1.317 575 K HN -0.136 nan 8.250 nan 0.000 0.584 576 P HA 0.021 nan 4.420 nan 0.000 0.268 576 P C -0.795 176.490 177.300 -0.026 0.000 1.204 576 P CA 0.027 63.138 63.100 0.019 0.000 0.768 576 P CB 0.574 32.286 31.700 0.020 0.000 0.842 577 R N 0.324 120.789 120.500 -0.059 0.000 2.664 577 R HA 0.520 4.860 4.340 -0.000 0.000 0.266 577 R C -1.781 174.419 176.300 -0.168 0.000 1.046 577 R CA -1.042 54.993 56.100 -0.110 0.000 0.885 577 R CB 0.306 30.515 30.300 -0.152 0.000 1.254 577 R HN 0.053 nan 8.270 nan 0.000 0.465 578 V N 2.988 122.815 119.914 -0.145 0.000 2.530 578 V HA 0.411 4.531 4.120 -0.000 0.000 0.282 578 V C 0.305 176.250 176.094 -0.248 0.000 1.048 578 V CA -0.174 62.015 62.300 -0.186 0.000 0.997 578 V CB 0.891 32.683 31.823 -0.051 0.000 0.987 578 V HN 0.626 nan 8.190 nan 0.000 0.477 579 R N 2.880 123.095 120.500 -0.475 0.000 3.045 579 R HA 0.605 4.945 4.340 -0.000 0.000 0.245 579 R C -1.216 174.944 176.300 -0.235 0.000 1.333 579 R CA -0.732 55.138 56.100 -0.383 0.000 1.036 579 R CB 2.016 32.052 30.300 -0.440 0.000 1.340 579 R HN 0.933 nan 8.270 nan 0.000 0.488 580 D N -1.629 118.864 120.400 0.154 0.000 2.596 580 D HA 0.233 4.873 4.640 -0.000 0.000 0.234 580 D C -0.880 175.763 176.300 0.571 0.000 1.181 580 D CA -0.466 53.755 54.000 0.369 0.000 0.856 580 D CB 1.495 42.465 40.800 0.283 0.000 1.498 580 D HN 0.611 nan 8.370 nan 0.000 0.446 581 H N -1.131 118.140 119.070 0.334 0.000 2.750 581 H HA -0.226 4.330 4.556 -0.000 0.000 0.327 581 H C -0.965 174.481 175.328 0.196 0.000 1.199 581 H CA 0.427 56.597 56.048 0.203 0.000 1.149 581 H CB -2.243 27.593 29.762 0.124 0.000 1.543 581 H HN 0.382 nan 8.280 nan 0.000 0.427 582 Y N 2.031 122.351 120.300 0.032 0.000 2.729 582 Y HA -0.039 4.511 4.550 -0.000 0.000 0.331 582 Y C 1.011 176.909 175.900 -0.004 0.000 1.208 582 Y CA 0.339 58.335 58.100 -0.173 0.000 1.521 582 Y CB 0.152 38.197 38.460 -0.691 0.000 1.233 582 Y HN 0.481 nan 8.280 nan 0.000 0.539 583 R N 3.109 123.344 120.500 -0.442 0.000 3.387 583 R HA -0.299 4.041 4.340 -0.000 0.000 0.254 583 R C 1.201 177.468 176.300 -0.055 0.000 1.006 583 R CA 0.414 56.340 56.100 -0.291 0.000 0.677 583 R CB -1.624 28.406 30.300 -0.449 0.000 1.063 583 R HN 0.793 nan 8.270 nan 0.000 0.453 584 A N -0.176 122.658 122.820 0.024 0.000 1.933 584 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 584 A C 2.084 179.711 177.584 0.072 0.000 1.175 584 A CA 1.945 54.037 52.037 0.092 0.000 0.628 584 A CB -0.212 18.892 19.000 0.173 0.000 0.814 584 A HN 0.474 nan 8.150 nan 0.000 0.444 585 T N 0.121 114.694 114.554 0.032 0.000 2.701 585 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 585 T C 1.973 176.692 174.700 0.032 0.000 1.040 585 T CA 1.460 63.569 62.100 0.015 0.000 1.147 585 T CB -0.151 68.697 68.868 -0.033 0.000 0.865 585 T HN 0.310 nan 8.240 nan 0.000 0.426 586 K N 1.087 121.499 120.400 0.019 0.000 2.063 586 K HA 0.009 4.329 4.320 -0.000 0.000 0.208 586 K C 2.362 179.141 176.600 0.298 0.000 1.048 586 K CA 0.676 57.028 56.287 0.109 0.000 0.928 586 K CB -1.131 31.452 32.500 0.139 0.000 0.713 586 K HN 0.246 nan 8.250 nan 0.000 0.442 587 V N 1.572 121.631 119.914 0.242 0.000 2.295 587 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 587 V C 2.450 178.668 176.094 0.207 0.000 1.049 587 V CA 2.016 64.472 62.300 0.259 0.000 1.024 587 V CB -0.823 31.096 31.823 0.161 0.000 0.648 587 V HN 0.302 nan 8.190 nan 0.000 0.447 588 A N -0.629 122.276 122.820 0.142 0.000 1.972 588 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 588 A C 2.081 179.713 177.584 0.080 0.000 1.169 588 A CA 1.902 53.998 52.037 0.097 0.000 0.635 588 A CB -0.684 18.363 19.000 0.080 0.000 0.810 588 A HN 0.543 nan 8.150 nan 0.000 0.446 589 F N -0.648 119.248 119.950 -0.090 0.000 2.069 589 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 589 F C 1.953 177.619 175.800 -0.223 0.000 1.113 589 F CA 1.670 59.528 58.000 -0.237 0.000 1.214 589 F CB -0.695 38.050 39.000 -0.425 0.000 0.978 589 F HN 0.399 nan 8.300 nan 0.000 0.474 590 W N 0.301 121.560 121.300 -0.069 0.000 2.381 590 W HA -0.064 4.596 4.660 -0.000 0.000 0.301 590 W C 2.296 178.726 176.519 -0.148 0.000 1.205 590 W CA 0.892 58.144 57.345 -0.156 0.000 1.285 590 W CB -0.475 29.016 29.460 0.051 0.000 1.133 590 W HN -0.005 nan 8.180 nan 0.000 0.521 591 L N -0.425 120.874 121.223 0.126 0.000 2.209 591 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 591 L C 2.193 179.032 176.870 -0.050 0.000 1.094 591 L CA 0.952 55.819 54.840 0.044 0.000 0.790 591 L CB -0.423 41.674 42.059 0.062 0.000 0.932 591 L HN -0.001 nan 8.230 nan 0.000 0.447 592 E N -0.513 119.627 120.200 -0.101 0.000 2.192 592 E HA -0.026 4.324 4.350 -0.000 0.000 0.196 592 E C 1.912 178.271 176.600 -0.402 0.000 0.922 592 E CA 0.283 56.578 56.400 -0.175 0.000 0.924 592 E CB -0.111 29.553 29.700 -0.059 0.000 0.911 592 E HN 0.141 nan 8.360 nan 0.000 0.478 593 L N 1.676 122.716 121.223 -0.306 0.000 2.068 593 L HA -0.042 4.298 4.340 -0.000 0.000 0.204 593 L C 2.306 178.925 176.870 -0.417 0.000 1.076 593 L CA 1.204 55.855 54.840 -0.315 0.000 0.753 593 L CB -0.456 41.541 42.059 -0.105 0.000 0.910 593 L HN -0.120 nan 8.230 nan 0.000 0.439 594 V N 0.798 120.400 119.914 -0.520 0.000 2.282 594 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 594 V C -0.318 175.648 176.094 -0.215 0.000 1.057 594 V CA 2.227 64.269 62.300 -0.430 0.000 1.032 594 V CB -1.845 29.706 31.823 -0.452 0.000 0.645 594 V HN 0.376 nan 8.190 nan 0.000 0.447 595 P HA -0.122 nan 4.420 nan 0.000 0.234 595 P C 0.914 178.243 177.300 0.047 0.000 1.162 595 P CA 1.431 64.488 63.100 -0.072 0.000 0.759 595 P CB -0.224 31.427 31.700 -0.082 0.000 0.813 596 H N -3.068 115.973 119.070 -0.048 0.000 2.604 596 H HA 0.116 4.672 4.556 -0.000 0.000 0.273 596 H C 0.754 176.053 175.328 -0.048 0.000 0.971 596 H CA -0.845 55.179 56.048 -0.041 0.000 1.249 596 H CB 0.120 29.862 29.762 -0.034 0.000 1.449 596 H HN 0.021 nan 8.280 nan 0.000 0.512 597 L N 0.000 121.240 121.223 0.028 0.000 2.949 597 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 597 L CA 0.000 54.830 54.840 -0.016 0.000 0.813 597 L CB 0.000 42.020 42.059 -0.065 0.000 0.961 597 L HN 0.000 nan 8.230 nan 0.000 0.502