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 3n8w_1_A DATA FIRST_RESID 32 DATA SEQUENCE PVNPccYYPc QHQGIcVRFG LDRYQcDcTR TGYSGPNcTI PEIWTWLRTT DATA SEQUENCE LRPSPSFIHF LLTHGRWLWD FVNATFIRDT LMRLVLTVRS NLIPSPPTYN DATA SEQUENCE IAHDYISWES FSNVSYYTRI LPSVPRDcPT PMGTKGKKQL PDAEFLSRRF DATA SEQUENCE LLRRKFIPDP QGTNLMFAFF AQHFTHQFFK TSGKMGPGFT KALGHGVDLG DATA SEQUENCE HIYGDNLERQ YQLRLFKDGK LKYQMLNGEV YPPSVEEAPV LMHYPRGIPP DATA SEQUENCE QSQMAVGQEV FGLLPGLMLY ATIWLREHNR VCDLLKAEHP TWGDEQLFQT DATA SEQUENCE ARLILIGETI KIVIEEYVQQ LSGYFLQLKF DPELLFGAQF QYRNRIAMEF DATA SEQUENCE NQLYHWHPLM PDSFRVGPQD YSYEQFLFNT SMLVDYGVEA LVDAFSRQPA DATA SEQUENCE GRIGGGRNID HHILHVAVDV IKESRVLRLQ PFNEYRKRFG MKPYTSFQEL DATA SEQUENCE TGEKEMAAEL EELYGDIDAL EFYPGLLLEK CHPNSIFGES MIEMGAPFSL DATA SEQUENCE KGLLGNPICS PEYWKASTFG GEVGFNLVKT ATLKKLVcLN TKTcPYVSFH DATA SEQUENCE VPD 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 32 P HA 0.000 nan 4.420 nan 0.000 0.216 32 P C 0.000 177.322 177.300 0.037 0.000 1.155 32 P CA 0.000 63.120 63.100 0.034 0.000 0.800 32 P CB 0.000 31.723 31.700 0.038 0.000 0.726 33 V N 1.872 121.815 119.914 0.048 0.000 2.599 33 V HA 0.139 4.260 4.120 0.001 0.000 0.300 33 V C 0.524 176.655 176.094 0.061 0.000 1.034 33 V CA -0.060 62.269 62.300 0.048 0.000 1.115 33 V CB 0.240 32.105 31.823 0.070 0.000 0.934 33 V HN 0.771 nan 8.190 nan 0.000 0.485 34 N N 9.062 127.775 118.700 0.021 0.000 2.411 34 N HA 0.131 4.872 4.740 0.001 0.000 0.265 34 N C -1.280 174.252 175.510 0.038 0.000 1.266 34 N CA -1.299 51.759 53.050 0.014 0.000 0.889 34 N CB 1.199 39.669 38.487 -0.029 0.000 1.069 34 N HN 0.506 nan 8.380 nan 0.000 0.476 35 P HA -0.075 nan 4.420 nan 0.000 0.218 35 P C 0.898 178.134 177.300 -0.106 0.000 1.149 35 P CA 0.888 64.011 63.100 0.037 0.000 0.817 35 P CB 0.009 31.746 31.700 0.061 0.000 0.785 36 c N -0.879 117.639 118.600 -0.137 0.000 2.466 36 c HA -0.029 4.542 4.570 0.001 0.000 0.283 36 c C 2.884 176.774 174.090 -0.333 0.000 1.472 36 c CA 0.242 56.451 56.329 -0.200 0.000 1.765 36 c CB -2.350 40.098 42.510 -0.103 0.000 1.724 36 c HN 0.343 nan 8.230 nan 0.000 0.560 37 c N -0.673 117.728 118.600 -0.332 0.000 2.432 37 c HA -0.086 4.485 4.570 0.001 0.000 0.282 37 c C 2.135 175.714 174.090 -0.852 0.000 1.388 37 c CA 0.685 56.665 56.329 -0.582 0.000 1.777 37 c CB -1.516 40.731 42.510 -0.439 0.000 1.882 37 c HN 0.696 nan 8.230 nan 0.000 0.520 38 Y N -1.404 118.592 120.300 -0.506 0.000 2.546 38 Y HA 0.097 4.647 4.550 0.001 0.000 0.287 38 Y C 0.565 176.310 175.900 -0.258 0.000 1.158 38 Y CA 0.169 58.064 58.100 -0.341 0.000 1.307 38 Y CB -0.726 37.602 38.460 -0.220 0.000 1.036 38 Y HN 0.315 nan 8.280 nan 0.000 0.532 39 Y N -1.844 118.441 120.300 -0.024 0.000 2.988 39 Y HA -0.216 4.334 4.550 0.001 0.000 0.193 39 Y C -2.013 173.839 175.900 -0.080 0.000 1.388 39 Y CA -0.897 57.161 58.100 -0.070 0.000 0.904 39 Y CB -1.877 36.536 38.460 -0.079 0.000 1.297 39 Y HN 0.174 nan 8.280 nan 0.000 0.432 40 P HA -0.069 nan 4.420 nan 0.000 0.217 40 P C 0.258 177.564 177.300 0.009 0.000 1.151 40 P CA 1.288 64.344 63.100 -0.073 0.000 0.828 40 P CB 0.260 31.766 31.700 -0.324 0.000 0.788 41 c N 1.544 120.162 118.600 0.030 0.000 2.540 41 c HA 0.329 4.900 4.570 0.001 0.000 0.377 41 c C 0.700 174.769 174.090 -0.034 0.000 1.274 41 c CA -0.491 55.865 56.329 0.044 0.000 1.718 41 c CB -1.902 40.660 42.510 0.086 0.000 2.391 41 c HN 0.220 nan 8.230 nan 0.000 0.565 42 Q N 0.415 120.154 119.800 -0.101 0.000 2.260 42 Q HA 0.304 4.645 4.340 0.001 0.000 0.238 42 Q C 0.375 176.213 176.000 -0.271 0.000 0.948 42 Q CA 0.186 55.807 55.803 -0.303 0.000 0.895 42 Q CB 0.266 28.716 28.738 -0.479 0.000 1.218 42 Q HN 0.854 nan 8.270 nan 0.000 0.470 43 H N 1.159 120.110 119.070 -0.199 0.000 2.819 43 H HA -0.231 4.326 4.556 0.002 0.000 0.315 43 H C -0.445 174.839 175.328 -0.074 0.000 1.242 43 H CA 0.693 56.635 56.048 -0.175 0.000 1.157 43 H CB -1.629 27.915 29.762 -0.365 0.000 1.451 43 H HN 0.739 nan 8.280 nan 0.000 0.430 44 Q N -3.316 116.478 119.800 -0.010 0.000 2.429 44 Q HA -0.148 4.192 4.340 0.001 0.000 0.232 44 Q C 1.046 177.074 176.000 0.046 0.000 0.724 44 Q CA 0.838 56.644 55.803 0.005 0.000 1.287 44 Q CB -1.392 27.349 28.738 0.005 0.000 1.429 44 Q HN 0.780 nan 8.270 nan 0.000 0.721 45 G N 0.763 109.595 108.800 0.053 0.000 2.491 45 G HA2 0.445 4.406 3.960 0.001 0.000 0.242 45 G HA3 0.445 4.406 3.960 0.001 0.000 0.242 45 G C -0.068 174.885 174.900 0.089 0.000 1.266 45 G CA -0.339 44.809 45.100 0.080 0.000 0.844 45 G HN 0.191 nan 8.290 nan 0.000 0.571 46 I N 0.971 121.610 120.570 0.115 0.000 2.339 46 I HA 0.175 4.346 4.170 0.001 0.000 0.290 46 I C 0.372 176.574 176.117 0.141 0.000 0.994 46 I CA -0.596 60.782 61.300 0.130 0.000 1.191 46 I CB 1.599 39.692 38.000 0.155 0.000 1.343 46 I HN 0.373 nan 8.210 nan 0.000 0.458 47 c N 7.672 126.345 118.600 0.122 0.000 2.576 47 c HA 0.523 5.094 4.570 0.001 0.000 0.401 47 c C 0.209 174.378 174.090 0.133 0.000 1.314 47 c CA -0.060 56.355 56.329 0.144 0.000 1.855 47 c CB -0.565 41.984 42.510 0.066 0.000 2.537 47 c HN 0.585 nan 8.230 nan 0.000 0.578 48 V N 8.002 128.036 119.914 0.200 0.000 2.638 48 V HA 0.468 4.589 4.120 0.001 0.000 0.306 48 V C 0.065 176.254 176.094 0.157 0.000 1.052 48 V CA -0.644 61.727 62.300 0.117 0.000 0.885 48 V CB 1.714 33.599 31.823 0.103 0.000 0.999 48 V HN 0.819 nan 8.190 nan 0.000 0.424 49 R N 3.081 123.585 120.500 0.008 0.000 2.442 49 R HA 0.482 4.822 4.340 0.001 0.000 0.291 49 R C -1.319 174.893 176.300 -0.146 0.000 1.069 49 R CA 0.192 56.309 56.100 0.029 0.000 1.022 49 R CB 0.518 30.809 30.300 -0.016 0.000 0.976 49 R HN 0.529 nan 8.270 nan 0.000 0.443 50 F N 0.943 120.914 119.950 0.034 0.000 2.532 50 F HA 0.399 4.927 4.527 0.001 0.000 0.321 50 F C 1.194 176.998 175.800 0.006 0.000 1.089 50 F CA 0.275 58.279 58.000 0.007 0.000 0.926 50 F CB 2.078 41.072 39.000 -0.010 0.000 1.168 50 F HN 0.805 nan 8.300 nan 0.000 0.459 51 G N 2.399 111.295 108.800 0.161 0.000 2.582 51 G HA2 -0.305 3.656 3.960 0.001 0.000 0.288 51 G HA3 -0.305 3.656 3.960 0.001 0.000 0.288 51 G C 0.678 175.614 174.900 0.060 0.000 1.247 51 G CA 0.439 45.596 45.100 0.095 0.000 0.972 51 G HN 0.652 nan 8.290 nan 0.000 0.557 52 L N 0.408 121.663 121.223 0.054 0.000 2.130 52 L HA 0.236 4.577 4.340 0.001 0.000 0.200 52 L C 2.243 179.145 176.870 0.053 0.000 1.075 52 L CA 1.968 56.833 54.840 0.042 0.000 0.768 52 L CB -0.283 41.796 42.059 0.033 0.000 0.933 52 L HN 0.745 nan 8.230 nan 0.000 0.451 53 D N -2.088 118.351 120.400 0.066 0.000 2.520 53 D HA 0.082 4.723 4.640 0.001 0.000 0.223 53 D C 0.645 177.017 176.300 0.119 0.000 1.186 53 D CA -0.330 53.718 54.000 0.080 0.000 0.821 53 D CB 0.271 41.109 40.800 0.062 0.000 1.072 53 D HN -0.011 nan 8.370 nan 0.000 0.518 54 R N -0.008 120.568 120.500 0.126 0.000 2.549 54 R HA 0.581 4.922 4.340 0.001 0.000 0.267 54 R C -0.795 175.656 176.300 0.252 0.000 1.045 54 R CA -0.680 55.503 56.100 0.139 0.000 1.115 54 R CB 0.786 31.129 30.300 0.070 0.000 1.121 54 R HN 0.232 nan 8.270 nan 0.000 0.543 55 Y N -2.096 118.267 120.300 0.105 0.000 2.588 55 Y HA 0.547 5.098 4.550 0.001 0.000 0.343 55 Y C -1.362 174.619 175.900 0.135 0.000 1.065 55 Y CA -1.141 57.050 58.100 0.152 0.000 1.038 55 Y CB 1.722 40.235 38.460 0.088 0.000 1.297 55 Y HN 0.402 nan 8.280 nan 0.000 0.467 56 Q N 1.590 121.528 119.800 0.230 0.000 2.359 56 Q HA 0.618 4.959 4.340 0.001 0.000 0.274 56 Q C -1.702 174.435 176.000 0.230 0.000 1.074 56 Q CA -0.901 54.927 55.803 0.043 0.000 0.810 56 Q CB 2.888 31.573 28.738 -0.088 0.000 1.342 56 Q HN 0.907 nan 8.270 nan 0.000 0.427 57 c N 1.265 119.956 118.600 0.153 0.000 2.341 57 c HA 0.362 4.933 4.570 0.001 0.000 0.338 57 c C -0.125 174.037 174.090 0.120 0.000 1.257 57 c CA -0.502 55.931 56.329 0.174 0.000 1.883 57 c CB 0.550 43.163 42.510 0.172 0.000 2.334 57 c HN 0.712 nan 8.230 nan 0.000 0.524 58 D N 1.419 121.897 120.400 0.129 0.000 2.467 58 D HA 0.274 4.915 4.640 0.001 0.000 0.220 58 D C 0.408 176.768 176.300 0.100 0.000 1.103 58 D CA -0.333 53.732 54.000 0.107 0.000 0.886 58 D CB 0.397 41.267 40.800 0.117 0.000 1.025 58 D HN 0.617 nan 8.370 nan 0.000 0.514 59 c N 2.428 121.084 118.600 0.093 0.000 2.626 59 c HA 0.103 4.674 4.570 0.001 0.000 0.266 59 c C 0.829 174.979 174.090 0.099 0.000 1.317 59 c CA -0.252 56.142 56.329 0.108 0.000 1.716 59 c CB -1.668 40.915 42.510 0.121 0.000 1.819 59 c HN 0.547 nan 8.230 nan 0.000 0.578 60 T N 2.070 116.672 114.554 0.079 0.000 2.718 60 T HA -0.052 4.299 4.350 0.001 0.000 0.265 60 T C 0.959 175.700 174.700 0.068 0.000 1.014 60 T CA 0.716 62.855 62.100 0.066 0.000 1.172 60 T CB -0.131 68.770 68.868 0.056 0.000 1.007 60 T HN 0.633 nan 8.240 nan 0.000 0.500 61 R N 0.163 120.701 120.500 0.063 0.000 3.946 61 R HA -0.238 4.103 4.340 0.001 0.000 0.329 61 R C 1.716 178.061 176.300 0.075 0.000 1.209 61 R CA 1.243 57.379 56.100 0.059 0.000 0.909 61 R CB -2.444 27.880 30.300 0.041 0.000 1.355 61 R HN 0.940 nan 8.270 nan 0.000 0.539 62 T N -4.438 110.182 114.554 0.111 0.000 3.043 62 T HA 0.191 4.542 4.350 0.001 0.000 0.263 62 T C 1.509 176.330 174.700 0.202 0.000 1.094 62 T CA 1.038 63.236 62.100 0.164 0.000 1.127 62 T CB 0.670 69.666 68.868 0.213 0.000 0.905 62 T HN 0.670 nan 8.240 nan 0.000 0.490 63 G N -0.158 108.716 108.800 0.122 0.000 2.179 63 G HA2 -0.151 3.810 3.960 0.001 0.000 0.220 63 G HA3 -0.151 3.810 3.960 0.001 0.000 0.220 63 G C -0.205 174.565 174.900 -0.217 0.000 0.990 63 G CA -0.120 44.963 45.100 -0.029 0.000 0.646 63 G HN 0.602 nan 8.290 nan 0.000 0.517 64 Y N 0.404 120.713 120.300 0.015 0.000 2.602 64 Y HA 0.739 5.290 4.550 0.002 0.000 0.342 64 Y C 0.630 176.546 175.900 0.026 0.000 1.029 64 Y CA -0.228 57.880 58.100 0.014 0.000 1.080 64 Y CB 2.260 40.737 38.460 0.030 0.000 1.284 64 Y HN 0.181 nan 8.280 nan 0.000 0.485 65 S N -0.416 115.401 115.700 0.194 0.000 2.810 65 S HA 0.856 5.327 4.470 0.001 0.000 0.315 65 S C -0.273 174.395 174.600 0.114 0.000 1.138 65 S CA -0.435 57.831 58.200 0.110 0.000 0.889 65 S CB 1.620 64.848 63.200 0.046 0.000 1.236 65 S HN 1.280 nan 8.310 nan 0.000 0.548 66 G N 1.064 109.902 108.800 0.063 0.000 2.756 66 G HA2 -0.089 3.872 3.960 0.001 0.000 0.678 66 G HA3 -0.089 3.872 3.960 0.001 0.000 0.678 66 G C -2.583 172.343 174.900 0.042 0.000 1.349 66 G CA -0.471 44.657 45.100 0.046 0.000 0.847 66 G HN 0.509 nan 8.290 nan 0.000 0.548 67 P HA -0.012 nan 4.420 nan 0.000 0.216 67 P C 1.254 178.596 177.300 0.070 0.000 1.150 67 P CA 1.585 64.688 63.100 0.004 0.000 0.837 67 P CB 0.050 31.737 31.700 -0.022 0.000 0.786 68 N N -2.490 116.265 118.700 0.091 0.000 2.203 68 N HA 0.076 4.817 4.740 0.001 0.000 0.207 68 N C -0.456 175.099 175.510 0.075 0.000 1.130 68 N CA 0.012 53.129 53.050 0.112 0.000 0.861 68 N CB -0.365 38.178 38.487 0.093 0.000 1.005 68 N HN -0.007 nan 8.380 nan 0.000 0.507 69 c N 0.714 119.369 118.600 0.092 0.000 4.354 69 c HA -0.108 4.463 4.570 0.001 0.000 0.307 69 c C 1.707 175.830 174.090 0.056 0.000 1.318 69 c CA 0.905 57.304 56.329 0.115 0.000 2.060 69 c CB -3.007 39.564 42.510 0.101 0.000 1.283 69 c HN 0.599 nan 8.230 nan 0.000 0.723 70 T N -4.014 110.619 114.554 0.132 0.000 2.969 70 T HA 0.295 4.646 4.350 0.001 0.000 0.250 70 T C 0.484 175.408 174.700 0.373 0.000 1.021 70 T CA -0.030 62.163 62.100 0.156 0.000 1.003 70 T CB 0.353 69.283 68.868 0.103 0.000 1.040 70 T HN 0.471 nan 8.240 nan 0.000 0.492 71 I N 4.981 125.731 120.570 0.300 0.000 2.436 71 I HA 0.311 4.482 4.170 0.001 0.000 0.289 71 I C -2.538 173.681 176.117 0.170 0.000 1.083 71 I CA -2.870 58.547 61.300 0.195 0.000 1.372 71 I CB -0.003 38.045 38.000 0.080 0.000 1.408 71 I HN 0.106 nan 8.210 nan 0.000 0.516 72 P HA 0.325 nan 4.420 nan 0.000 0.290 72 P C -0.325 176.839 177.300 -0.227 0.000 1.276 72 P CA -0.599 62.284 63.100 -0.363 0.000 0.808 72 P CB 1.139 32.680 31.700 -0.265 0.000 0.966 73 E N 1.267 121.314 120.200 -0.254 0.000 2.408 73 E HA 0.043 4.393 4.350 0.001 0.000 0.259 73 E C 1.334 177.854 176.600 -0.132 0.000 1.110 73 E CA -0.283 56.024 56.400 -0.156 0.000 0.929 73 E CB 0.523 30.164 29.700 -0.099 0.000 0.971 73 E HN 0.423 nan 8.360 nan 0.000 0.438 74 I N 1.005 121.446 120.570 -0.215 0.000 2.145 74 I HA -0.314 3.857 4.170 0.001 0.000 0.244 74 I C 1.303 177.321 176.117 -0.164 0.000 1.075 74 I CA 1.695 62.824 61.300 -0.285 0.000 1.332 74 I CB 0.029 37.706 38.000 -0.538 0.000 1.033 74 I HN 0.631 nan 8.210 nan 0.000 0.410 75 W N 0.273 121.591 121.300 0.030 0.000 2.418 75 W HA -0.136 4.524 4.660 0.000 0.000 0.292 75 W C 2.654 179.171 176.519 -0.002 0.000 1.213 75 W CA 1.032 58.389 57.345 0.020 0.000 1.283 75 W CB -0.878 28.580 29.460 -0.004 0.000 1.119 75 W HN 0.003 nan 8.180 nan 0.000 0.542 76 T N -0.167 114.474 114.554 0.144 0.000 2.684 76 T HA -0.294 4.057 4.350 0.001 0.000 0.267 76 T C 1.165 175.882 174.700 0.028 0.000 1.036 76 T CA 1.743 63.839 62.100 -0.008 0.000 1.148 76 T CB -0.771 67.935 68.868 -0.270 0.000 0.863 76 T HN 0.317 nan 8.240 nan 0.000 0.436 77 W N 1.815 123.039 121.300 -0.125 0.000 2.333 77 W HA -0.109 4.551 4.660 0.000 0.000 0.316 77 W C 1.887 178.391 176.519 -0.026 0.000 1.215 77 W CA 0.761 58.056 57.345 -0.084 0.000 1.278 77 W CB -0.732 28.669 29.460 -0.098 0.000 1.154 77 W HN 0.045 nan 8.180 nan 0.000 0.486 78 L N 0.744 121.980 121.223 0.021 0.000 1.997 78 L HA -0.299 4.042 4.340 0.001 0.000 0.216 78 L C 2.576 179.374 176.870 -0.121 0.000 1.074 78 L CA 2.501 57.274 54.840 -0.113 0.000 0.763 78 L CB -1.406 40.748 42.059 0.157 0.000 0.890 78 L HN 0.074 nan 8.230 nan 0.000 0.434 79 R N -0.332 120.159 120.500 -0.015 0.000 2.083 79 R HA -0.161 4.180 4.340 0.001 0.000 0.237 79 R C 2.382 178.644 176.300 -0.064 0.000 1.137 79 R CA 2.253 58.343 56.100 -0.018 0.000 0.951 79 R CB -0.523 29.789 30.300 0.021 0.000 0.851 79 R HN 0.613 nan 8.270 nan 0.000 0.434 80 T N -2.961 111.542 114.554 -0.086 0.000 2.821 80 T HA -0.127 4.224 4.350 0.001 0.000 0.267 80 T C 1.918 176.535 174.700 -0.138 0.000 1.046 80 T CA 1.500 63.556 62.100 -0.075 0.000 1.139 80 T CB -0.687 68.168 68.868 -0.022 0.000 0.871 80 T HN 0.449 nan 8.240 nan 0.000 0.454 81 T N 0.304 114.690 114.554 -0.280 0.000 2.896 81 T HA 0.142 4.493 4.350 0.001 0.000 0.263 81 T C 1.842 176.410 174.700 -0.221 0.000 1.050 81 T CA 0.396 62.309 62.100 -0.311 0.000 1.140 81 T CB -0.614 67.913 68.868 -0.569 0.000 0.877 81 T HN 0.215 nan 8.240 nan 0.000 0.457 82 L N 1.175 122.280 121.223 -0.196 0.000 2.313 82 L HA 0.320 4.661 4.340 0.001 0.000 0.214 82 L C 2.065 178.885 176.870 -0.084 0.000 1.119 82 L CA 0.595 55.358 54.840 -0.128 0.000 0.809 82 L CB -0.909 41.091 42.059 -0.098 0.000 0.933 82 L HN 0.399 nan 8.230 nan 0.000 0.449 83 R N 1.858 122.317 120.500 -0.068 0.000 2.316 83 R HA 0.417 4.757 4.340 0.001 0.000 0.314 83 R C -2.327 173.952 176.300 -0.035 0.000 1.069 83 R CA -1.257 54.827 56.100 -0.026 0.000 0.959 83 R CB -1.665 28.633 30.300 -0.002 0.000 0.987 83 R HN 0.107 nan 8.270 nan 0.000 0.446 84 P HA 0.201 nan 4.420 nan 0.000 0.276 84 P C -0.290 177.038 177.300 0.047 0.000 1.252 84 P CA -0.357 62.715 63.100 -0.048 0.000 0.802 84 P CB 1.177 32.849 31.700 -0.047 0.000 1.035 85 S N 0.724 116.452 115.700 0.048 0.000 2.572 85 S HA 0.117 4.588 4.470 0.001 0.000 0.279 85 S C -1.603 173.101 174.600 0.174 0.000 1.341 85 S CA -0.643 57.614 58.200 0.095 0.000 1.043 85 S CB -0.164 63.081 63.200 0.076 0.000 0.887 85 S HN 0.242 nan 8.310 nan 0.000 0.516 86 P HA -0.115 nan 4.420 nan 0.000 0.216 86 P C 1.520 178.949 177.300 0.214 0.000 1.154 86 P CA 1.546 64.748 63.100 0.169 0.000 0.865 86 P CB -0.150 31.633 31.700 0.139 0.000 0.789 87 S N -1.768 114.062 115.700 0.217 0.000 2.399 87 S HA -0.157 4.314 4.470 0.001 0.000 0.231 87 S C 1.610 176.370 174.600 0.267 0.000 1.022 87 S CA 0.911 59.257 58.200 0.244 0.000 0.983 87 S CB -1.094 62.230 63.200 0.206 0.000 0.803 87 S HN 0.168 nan 8.310 nan 0.000 0.480 88 F N 1.778 121.798 119.950 0.116 0.000 2.146 88 F HA -0.067 4.460 4.527 0.001 0.000 0.298 88 F C 1.728 177.633 175.800 0.175 0.000 1.096 88 F CA 1.121 59.193 58.000 0.121 0.000 1.275 88 F CB -0.210 38.827 39.000 0.060 0.000 1.008 88 F HN 0.080 nan 8.300 nan 0.000 0.480 89 I N -0.165 120.520 120.570 0.192 0.000 2.226 89 I HA -0.327 3.844 4.170 0.001 0.000 0.245 89 I C 2.588 178.673 176.117 -0.053 0.000 1.100 89 I CA 1.578 62.908 61.300 0.050 0.000 1.374 89 I CB -0.991 37.072 38.000 0.105 0.000 1.057 89 I HN 0.246 nan 8.210 nan 0.000 0.413 90 H N 0.162 119.192 119.070 -0.067 0.000 2.422 90 H HA -0.258 4.299 4.556 0.001 0.000 0.298 90 H C 2.171 177.420 175.328 -0.133 0.000 1.098 90 H CA 1.869 57.825 56.048 -0.153 0.000 1.315 90 H CB -0.112 29.516 29.762 -0.223 0.000 1.382 90 H HN 0.367 nan 8.280 nan 0.000 0.523 91 F N 1.113 120.987 119.950 -0.126 0.000 2.084 91 F HA -0.152 4.376 4.527 0.001 0.000 0.296 91 F C 2.432 178.133 175.800 -0.165 0.000 1.111 91 F CA 1.119 59.029 58.000 -0.150 0.000 1.224 91 F CB -0.686 38.152 39.000 -0.270 0.000 0.991 91 F HN 0.048 nan 8.300 nan 0.000 0.471 92 L N -0.093 120.933 121.223 -0.327 0.000 2.083 92 L HA -0.240 4.101 4.340 0.001 0.000 0.209 92 L C 2.451 179.308 176.870 -0.021 0.000 1.083 92 L CA 1.204 55.895 54.840 -0.247 0.000 0.752 92 L CB -0.778 41.183 42.059 -0.164 0.000 0.899 92 L HN 0.237 nan 8.230 nan 0.000 0.433 93 L N -0.615 120.443 121.223 -0.275 0.000 2.201 93 L HA -0.121 4.219 4.340 0.001 0.000 0.212 93 L C 2.228 178.540 176.870 -0.931 0.000 1.105 93 L CA 1.534 55.982 54.840 -0.654 0.000 0.775 93 L CB -0.556 40.828 42.059 -1.125 0.000 0.913 93 L HN 0.433 nan 8.230 nan 0.000 0.440 94 T N -5.210 108.833 114.554 -0.853 0.000 3.092 94 T HA 0.198 4.549 4.350 0.001 0.000 0.258 94 T C 0.238 174.117 174.700 -1.369 0.000 1.031 94 T CA -0.284 61.069 62.100 -1.246 0.000 0.925 94 T CB -0.046 68.286 68.868 -0.894 0.000 1.036 94 T HN 0.189 nan 8.240 nan 0.000 0.544 95 H N -0.361 118.296 119.070 -0.689 0.000 2.941 95 H HA 0.609 5.166 4.556 0.001 0.000 0.344 95 H C 0.608 176.004 175.328 0.113 0.000 1.235 95 H CA -0.245 55.626 56.048 -0.294 0.000 1.149 95 H CB 1.279 30.575 29.762 -0.778 0.000 1.885 95 H HN 0.236 nan 8.280 nan 0.000 0.558 96 G N 1.306 110.228 108.800 0.203 0.000 2.422 96 G HA2 -0.285 3.676 3.960 0.001 0.000 0.290 96 G HA3 -0.285 3.676 3.960 0.001 0.000 0.290 96 G C 1.001 176.061 174.900 0.268 0.000 1.059 96 G CA 0.559 45.727 45.100 0.114 0.000 1.242 96 G HN 0.667 nan 8.290 nan 0.000 0.520 97 R N -0.780 119.786 120.500 0.110 0.000 2.096 97 R HA -0.090 4.251 4.340 0.001 0.000 0.235 97 R C 2.210 178.634 176.300 0.206 0.000 1.127 97 R CA 1.927 58.058 56.100 0.052 0.000 0.968 97 R CB -0.173 29.939 30.300 -0.315 0.000 0.861 97 R HN 0.623 nan 8.270 nan 0.000 0.440 98 W N 0.742 122.058 121.300 0.027 0.000 2.335 98 W HA -0.212 4.448 4.660 0.001 0.000 0.311 98 W C 2.049 178.567 176.519 -0.001 0.000 1.213 98 W CA 0.549 57.896 57.345 0.004 0.000 1.274 98 W CB -1.202 28.245 29.460 -0.022 0.000 1.148 98 W HN 0.156 nan 8.180 nan 0.000 0.498 99 L N -0.961 120.355 121.223 0.154 0.000 2.079 99 L HA -0.168 4.173 4.340 0.001 0.000 0.210 99 L C 2.114 178.936 176.870 -0.079 0.000 1.081 99 L CA 2.002 56.796 54.840 -0.078 0.000 0.752 99 L CB -0.838 41.032 42.059 -0.314 0.000 0.896 99 L HN -0.048 nan 8.230 nan 0.000 0.433 100 W N -0.274 121.103 121.300 0.128 0.000 2.436 100 W HA -0.117 4.545 4.660 0.003 0.000 0.284 100 W C 2.285 178.856 176.519 0.086 0.000 1.225 100 W CA 0.541 57.947 57.345 0.102 0.000 1.271 100 W CB -0.221 29.308 29.460 0.114 0.000 1.114 100 W HN 0.156 nan 8.180 nan 0.000 0.559 101 D N -0.005 120.571 120.400 0.294 0.000 2.104 101 D HA -0.233 4.408 4.640 0.001 0.000 0.194 101 D C 1.778 178.174 176.300 0.161 0.000 0.994 101 D CA 1.457 55.571 54.000 0.191 0.000 0.830 101 D CB -0.940 39.961 40.800 0.168 0.000 0.959 101 D HN 0.155 nan 8.370 nan 0.000 0.452 102 F N 1.644 121.610 119.950 0.027 0.000 2.075 102 F HA -0.207 4.321 4.527 0.002 0.000 0.297 102 F C 2.299 178.072 175.800 -0.045 0.000 1.113 102 F CA 1.043 59.027 58.000 -0.027 0.000 1.218 102 F CB -0.278 38.686 39.000 -0.060 0.000 0.984 102 F HN -0.243 nan 8.300 nan 0.000 0.472 103 V N 1.188 121.165 119.914 0.106 0.000 2.287 103 V HA -0.364 3.757 4.120 0.001 0.000 0.248 103 V C 2.144 178.212 176.094 -0.043 0.000 1.053 103 V CA 2.285 64.576 62.300 -0.015 0.000 1.027 103 V CB -0.866 30.985 31.823 0.047 0.000 0.646 103 V HN 0.412 nan 8.190 nan 0.000 0.447 104 N N 0.359 119.103 118.700 0.074 0.000 2.309 104 N HA -0.065 4.676 4.740 0.001 0.000 0.182 104 N C 1.518 177.011 175.510 -0.029 0.000 1.018 104 N CA 1.461 54.545 53.050 0.057 0.000 0.876 104 N CB -0.229 38.321 38.487 0.105 0.000 0.972 104 N HN 0.526 nan 8.380 nan 0.000 0.434 105 A N 0.159 122.919 122.820 -0.099 0.000 2.307 105 A HA 0.132 4.453 4.320 0.001 0.000 0.218 105 A C 0.940 178.405 177.584 -0.198 0.000 1.228 105 A CA 0.122 52.083 52.037 -0.126 0.000 0.857 105 A CB -0.146 18.783 19.000 -0.118 0.000 0.897 105 A HN 0.333 nan 8.150 nan 0.000 0.495 106 T N -4.835 109.555 114.554 -0.273 0.000 2.910 106 T HA 0.471 4.822 4.350 0.001 0.000 0.287 106 T C 0.808 175.388 174.700 -0.200 0.000 1.050 106 T CA -0.087 61.834 62.100 -0.299 0.000 1.011 106 T CB 0.464 68.966 68.868 -0.610 0.000 1.195 106 T HN 0.565 nan 8.240 nan 0.000 0.540 107 F N -0.030 119.873 119.950 -0.079 0.000 2.307 107 F HA 0.113 4.640 4.527 0.001 0.000 0.301 107 F C 1.733 177.524 175.800 -0.014 0.000 1.076 107 F CA 0.579 58.557 58.000 -0.037 0.000 1.383 107 F CB -1.220 37.764 39.000 -0.026 0.000 1.055 107 F HN 0.407 nan 8.300 nan 0.000 0.526 108 I N 0.553 120.691 120.570 -0.720 0.000 2.567 108 I HA -0.239 3.932 4.170 0.001 0.000 0.257 108 I C 2.797 178.854 176.117 -0.101 0.000 1.184 108 I CA 1.190 62.235 61.300 -0.426 0.000 1.451 108 I CB -0.641 37.072 38.000 -0.478 0.000 1.089 108 I HN 0.228 nan 8.210 nan 0.000 0.441 109 R N 1.220 121.680 120.500 -0.066 0.000 2.083 109 R HA -0.194 4.147 4.340 0.001 0.000 0.237 109 R C 1.709 178.037 176.300 0.047 0.000 1.137 109 R CA 2.004 58.122 56.100 0.029 0.000 0.951 109 R CB -0.135 30.178 30.300 0.023 0.000 0.851 109 R HN 0.354 nan 8.270 nan 0.000 0.434 110 D N -0.685 119.746 120.400 0.051 0.000 2.149 110 D HA -0.081 4.559 4.640 0.001 0.000 0.201 110 D C 1.734 178.075 176.300 0.069 0.000 0.972 110 D CA 1.445 55.480 54.000 0.057 0.000 0.835 110 D CB -0.233 40.609 40.800 0.070 0.000 0.966 110 D HN 0.278 nan 8.370 nan 0.000 0.476 111 T N 1.558 116.174 114.554 0.103 0.000 2.708 111 T HA -0.072 4.279 4.350 0.001 0.000 0.266 111 T C 2.313 177.059 174.700 0.077 0.000 1.037 111 T CA 0.673 62.839 62.100 0.110 0.000 1.146 111 T CB -0.281 68.680 68.868 0.156 0.000 0.865 111 T HN 0.102 nan 8.240 nan 0.000 0.435 112 L N -0.083 121.186 121.223 0.076 0.000 2.072 112 L HA -0.012 4.328 4.340 0.001 0.000 0.205 112 L C 2.639 179.554 176.870 0.075 0.000 1.079 112 L CA 0.874 55.766 54.840 0.087 0.000 0.752 112 L CB -0.495 41.643 42.059 0.132 0.000 0.906 112 L HN 0.224 nan 8.230 nan 0.000 0.436 113 M N 0.150 119.790 119.600 0.067 0.000 2.108 113 M HA -0.235 4.246 4.480 0.001 0.000 0.261 113 M C 2.356 178.676 176.300 0.032 0.000 1.066 113 M CA 1.777 57.109 55.300 0.054 0.000 1.107 113 M CB -0.424 32.202 32.600 0.042 0.000 1.356 113 M HN -0.003 nan 8.290 nan 0.000 0.406 114 R N -0.677 119.835 120.500 0.019 0.000 2.091 114 R HA -0.178 4.163 4.340 0.001 0.000 0.238 114 R C 2.047 178.357 176.300 0.017 0.000 1.136 114 R CA 1.809 57.909 56.100 -0.001 0.000 0.959 114 R CB -0.560 29.742 30.300 0.003 0.000 0.856 114 R HN 0.406 nan 8.270 nan 0.000 0.437 115 L N -0.001 121.245 121.223 0.039 0.000 2.046 115 L HA -0.158 4.182 4.340 0.001 0.000 0.208 115 L C 2.203 179.107 176.870 0.056 0.000 1.077 115 L CA 1.341 56.210 54.840 0.047 0.000 0.747 115 L CB -0.284 41.809 42.059 0.056 0.000 0.896 115 L HN 0.049 nan 8.230 nan 0.000 0.432 116 V N -1.088 118.864 119.914 0.063 0.000 2.295 116 V HA -0.299 3.822 4.120 0.001 0.000 0.246 116 V C 2.396 178.535 176.094 0.074 0.000 1.049 116 V CA 1.388 63.736 62.300 0.080 0.000 1.024 116 V CB -0.558 31.325 31.823 0.099 0.000 0.648 116 V HN 0.264 nan 8.190 nan 0.000 0.447 117 L N 0.774 122.025 121.223 0.047 0.000 1.970 117 L HA -0.182 4.159 4.340 0.001 0.000 0.212 117 L C 2.929 179.825 176.870 0.044 0.000 1.071 117 L CA 2.937 57.790 54.840 0.022 0.000 0.751 117 L CB -1.703 40.321 42.059 -0.060 0.000 0.889 117 L HN 0.668 nan 8.230 nan 0.000 0.432 118 T N -3.935 110.639 114.554 0.033 0.000 2.737 118 T HA -0.123 4.228 4.350 0.001 0.000 0.265 118 T C 1.887 176.636 174.700 0.081 0.000 1.038 118 T CA 1.498 63.639 62.100 0.067 0.000 1.144 118 T CB -0.943 67.954 68.868 0.047 0.000 0.866 118 T HN 0.070 nan 8.240 nan 0.000 0.434 119 V N 1.445 121.399 119.914 0.066 0.000 2.515 119 V HA -0.049 4.072 4.120 0.001 0.000 0.250 119 V C 3.107 179.244 176.094 0.071 0.000 1.058 119 V CA 1.287 63.626 62.300 0.064 0.000 1.064 119 V CB -0.660 31.199 31.823 0.062 0.000 0.675 119 V HN 0.361 nan 8.190 nan 0.000 0.461 120 R N 0.925 121.475 120.500 0.084 0.000 2.057 120 R HA -0.076 4.265 4.340 0.001 0.000 0.229 120 R C 2.741 179.084 176.300 0.072 0.000 1.136 120 R CA 1.799 57.952 56.100 0.088 0.000 0.952 120 R CB -1.210 29.150 30.300 0.100 0.000 0.848 120 R HN 0.689 nan 8.270 nan 0.000 0.430 121 S N 1.168 116.928 115.700 0.101 0.000 2.402 121 S HA -0.101 4.370 4.470 0.001 0.000 0.229 121 S C 1.613 176.234 174.600 0.035 0.000 1.021 121 S CA 1.063 59.326 58.200 0.105 0.000 0.974 121 S CB -0.311 63.062 63.200 0.289 0.000 0.800 121 S HN 0.179 nan 8.310 nan 0.000 0.484 122 N N 1.927 120.655 118.700 0.046 0.000 2.184 122 N HA -0.032 4.708 4.740 0.001 0.000 0.190 122 N C 1.372 176.857 175.510 -0.042 0.000 1.011 122 N CA 0.932 53.984 53.050 0.003 0.000 0.867 122 N CB -0.662 37.838 38.487 0.021 0.000 0.993 122 N HN 0.318 nan 8.380 nan 0.000 0.433 123 L N 0.414 121.608 121.223 -0.047 0.000 2.549 123 L HA 0.016 4.357 4.340 0.001 0.000 0.229 123 L C 0.166 176.926 176.870 -0.184 0.000 1.158 123 L CA 0.645 55.410 54.840 -0.124 0.000 0.842 123 L CB -0.674 41.323 42.059 -0.103 0.000 0.952 123 L HN 0.050 nan 8.230 nan 0.000 0.452 124 I N 0.863 121.356 120.570 -0.128 0.000 2.339 124 I HA 0.309 4.480 4.170 0.001 0.000 0.290 124 I C -1.977 174.077 176.117 -0.106 0.000 0.994 124 I CA -2.873 58.355 61.300 -0.120 0.000 1.191 124 I CB 0.902 38.850 38.000 -0.086 0.000 1.343 124 I HN -0.154 nan 8.210 nan 0.000 0.458 125 P HA 0.160 nan 4.420 nan 0.000 0.268 125 P C -0.443 176.794 177.300 -0.104 0.000 1.204 125 P CA 0.035 63.068 63.100 -0.112 0.000 0.768 125 P CB 0.708 32.322 31.700 -0.143 0.000 0.842 126 S N 2.346 117.980 115.700 -0.110 0.000 2.652 126 S HA 0.474 4.945 4.470 0.001 0.000 0.273 126 S C -2.748 171.800 174.600 -0.087 0.000 1.172 126 S CA -1.129 57.005 58.200 -0.110 0.000 1.009 126 S CB 0.134 63.227 63.200 -0.177 0.000 1.094 126 S HN 0.170 nan 8.310 nan 0.000 0.471 127 P HA 0.314 nan 4.420 nan 0.000 0.270 127 P C -2.546 174.743 177.300 -0.018 0.000 1.223 127 P CA -0.904 62.211 63.100 0.025 0.000 0.785 127 P CB -0.104 31.671 31.700 0.126 0.000 0.923 128 P HA -0.042 nan 4.420 nan 0.000 0.270 128 P C 0.343 177.574 177.300 -0.115 0.000 1.223 128 P CA 0.098 63.154 63.100 -0.074 0.000 0.785 128 P CB 0.523 32.174 31.700 -0.081 0.000 0.923 129 T N -0.338 114.074 114.554 -0.237 0.000 3.401 129 T HA 0.115 4.466 4.350 0.001 0.000 0.225 129 T C 0.734 175.249 174.700 -0.308 0.000 0.961 129 T CA 0.538 62.364 62.100 -0.456 0.000 1.429 129 T CB -0.803 67.445 68.868 -1.033 0.000 1.213 129 T HN 0.391 nan 8.240 nan 0.000 0.440 130 Y N 2.626 122.908 120.300 -0.031 0.000 2.596 130 Y HA 0.673 5.224 4.550 0.001 0.000 0.326 130 Y C 0.377 176.209 175.900 -0.113 0.000 1.167 130 Y CA -1.339 56.713 58.100 -0.080 0.000 1.246 130 Y CB 1.045 39.471 38.460 -0.057 0.000 1.347 130 Y HN 0.576 nan 8.280 nan 0.000 0.515 131 N N -1.066 117.624 118.700 -0.016 0.000 3.243 131 N HA 0.169 4.910 4.740 0.001 0.000 0.280 131 N C -0.303 175.115 175.510 -0.155 0.000 1.545 131 N CA -0.848 52.118 53.050 -0.139 0.000 0.854 131 N CB 0.400 38.623 38.487 -0.440 0.000 1.612 131 N HN 0.762 nan 8.380 nan 0.000 0.577 132 I N -0.617 119.889 120.570 -0.108 0.000 2.335 132 I HA -0.187 3.984 4.170 0.001 0.000 0.251 132 I C 1.744 177.800 176.117 -0.101 0.000 1.129 132 I CA 1.880 63.143 61.300 -0.060 0.000 1.402 132 I CB -0.213 37.774 38.000 -0.022 0.000 1.069 132 I HN 0.720 nan 8.210 nan 0.000 0.424 133 A N -0.826 121.845 122.820 -0.248 0.000 1.935 133 A HA -0.006 4.315 4.320 0.001 0.000 0.214 133 A C 0.571 177.894 177.584 -0.435 0.000 1.178 133 A CA 0.712 52.540 52.037 -0.347 0.000 0.640 133 A CB -0.426 18.260 19.000 -0.523 0.000 0.825 133 A HN 0.597 nan 8.150 nan 0.000 0.447 134 H N -0.480 118.377 119.070 -0.356 0.000 2.589 134 H HA 0.340 4.897 4.556 0.001 0.000 0.335 134 H C -1.178 173.822 175.328 -0.547 0.000 1.019 134 H CA -0.902 54.738 56.048 -0.679 0.000 1.213 134 H CB 1.406 30.615 29.762 -0.921 0.000 1.472 134 H HN 0.131 nan 8.280 nan 0.000 0.508 135 D N 3.490 123.650 120.400 -0.401 0.000 2.706 135 D HA 0.048 4.688 4.640 0.001 0.000 0.236 135 D C -0.677 175.348 176.300 -0.459 0.000 1.231 135 D CA 0.368 54.119 54.000 -0.416 0.000 0.828 135 D CB 0.041 40.717 40.800 -0.207 0.000 1.015 135 D HN 0.506 nan 8.370 nan 0.000 0.484 136 Y N -2.931 117.273 120.300 -0.159 0.000 2.713 136 Y HA 0.442 4.993 4.550 0.001 0.000 0.335 136 Y C -0.836 175.235 175.900 0.285 0.000 1.222 136 Y CA -1.444 56.683 58.100 0.044 0.000 1.061 136 Y CB 0.451 38.901 38.460 -0.015 0.000 1.314 136 Y HN -0.311 nan 8.280 nan 0.000 0.453 137 I N 3.190 124.036 120.570 0.459 0.000 2.471 137 I HA 0.449 4.620 4.170 0.001 0.000 0.286 137 I C -0.073 176.193 176.117 0.248 0.000 1.079 137 I CA 0.223 61.685 61.300 0.269 0.000 1.398 137 I CB 0.885 38.987 38.000 0.170 0.000 1.403 137 I HN 0.753 nan 8.210 nan 0.000 0.530 138 S N 5.555 121.338 115.700 0.139 0.000 2.588 138 S HA 0.246 4.717 4.470 0.001 0.000 0.275 138 S C 0.284 174.982 174.600 0.163 0.000 1.130 138 S CA -0.923 57.351 58.200 0.124 0.000 0.855 138 S CB 1.494 64.640 63.200 -0.089 0.000 1.116 138 S HN 0.826 nan 8.310 nan 0.000 0.472 139 W N 1.517 122.855 121.300 0.063 0.000 2.358 139 W HA -0.131 4.529 4.660 0.001 0.000 0.303 139 W C 1.620 178.244 176.519 0.176 0.000 1.208 139 W CA 2.369 59.784 57.345 0.116 0.000 1.274 139 W CB -0.261 29.250 29.460 0.084 0.000 1.138 139 W HN 1.047 nan 8.180 nan 0.000 0.515 140 E N 0.571 120.919 120.200 0.247 0.000 2.085 140 E HA -0.242 4.109 4.350 0.001 0.000 0.194 140 E C 2.280 178.908 176.600 0.047 0.000 0.994 140 E CA 2.286 58.803 56.400 0.195 0.000 0.801 140 E CB -0.758 29.136 29.700 0.323 0.000 0.743 140 E HN 0.047 nan 8.360 nan 0.000 0.453 141 S N -1.388 114.336 115.700 0.041 0.000 2.382 141 S HA -0.149 4.321 4.470 0.001 0.000 0.228 141 S C 1.752 176.284 174.600 -0.114 0.000 1.027 141 S CA 1.193 59.339 58.200 -0.091 0.000 0.991 141 S CB -0.566 62.620 63.200 -0.023 0.000 0.823 141 S HN 0.486 nan 8.310 nan 0.000 0.469 142 F N 1.490 121.257 119.950 -0.305 0.000 2.187 142 F HA 0.143 4.671 4.527 0.001 0.000 0.295 142 F C 2.439 177.971 175.800 -0.446 0.000 1.091 142 F CA 1.533 59.277 58.000 -0.426 0.000 1.308 142 F CB -0.579 38.047 39.000 -0.623 0.000 1.030 142 F HN 0.170 nan 8.300 nan 0.000 0.487 143 S N -0.195 115.204 115.700 -0.503 0.000 2.395 143 S HA -0.077 4.394 4.470 0.001 0.000 0.225 143 S C 0.742 175.217 174.600 -0.207 0.000 1.027 143 S CA 0.345 58.301 58.200 -0.406 0.000 0.965 143 S CB -0.438 62.664 63.200 -0.162 0.000 0.812 143 S HN 0.269 nan 8.310 nan 0.000 0.482 144 N N 2.378 121.031 118.700 -0.078 0.000 2.521 144 N HA 0.097 4.838 4.740 0.001 0.000 0.236 144 N C 0.536 176.095 175.510 0.082 0.000 1.067 144 N CA -0.137 52.963 53.050 0.084 0.000 0.939 144 N CB 1.197 39.862 38.487 0.296 0.000 1.201 144 N HN 0.132 nan 8.380 nan 0.000 0.511 145 V N 0.982 120.893 119.914 -0.005 0.000 3.510 145 V HA 0.070 4.191 4.120 0.001 0.000 0.270 145 V C 1.422 177.604 176.094 0.147 0.000 1.201 145 V CA 0.573 62.871 62.300 -0.003 0.000 1.166 145 V CB -0.441 31.351 31.823 -0.052 0.000 0.825 145 V HN 0.368 nan 8.190 nan 0.000 0.484 146 S N -0.841 114.911 115.700 0.087 0.000 2.489 146 S HA 0.197 4.667 4.470 0.001 0.000 0.228 146 S C 0.376 174.936 174.600 -0.067 0.000 0.995 146 S CA 0.331 58.541 58.200 0.017 0.000 0.934 146 S CB -0.347 62.858 63.200 0.010 0.000 0.771 146 S HN 0.719 nan 8.310 nan 0.000 0.522 147 Y N 0.661 120.918 120.300 -0.072 0.000 2.308 147 Y HA 0.354 4.905 4.550 0.001 0.000 0.329 147 Y C 0.122 175.957 175.900 -0.109 0.000 1.111 147 Y CA -1.161 56.796 58.100 -0.239 0.000 1.179 147 Y CB 0.315 38.630 38.460 -0.243 0.000 1.201 147 Y HN 0.051 nan 8.280 nan 0.000 0.483 148 Y N 1.029 121.395 120.300 0.110 0.000 2.480 148 Y HA 0.085 4.636 4.550 0.001 0.000 0.338 148 Y C 1.043 176.997 175.900 0.089 0.000 1.220 148 Y CA 0.059 58.239 58.100 0.134 0.000 1.430 148 Y CB 0.516 39.018 38.460 0.071 0.000 1.311 148 Y HN 0.544 nan 8.280 nan 0.000 0.575 149 T N 2.915 117.630 114.554 0.269 0.000 2.849 149 T HA 0.701 5.051 4.350 0.001 0.000 0.276 149 T C -0.610 174.177 174.700 0.144 0.000 0.971 149 T CA -0.792 61.390 62.100 0.137 0.000 0.949 149 T CB 0.485 69.399 68.868 0.077 0.000 1.093 149 T HN 0.771 nan 8.240 nan 0.000 0.545 150 R N 0.989 121.571 120.500 0.136 0.000 2.739 150 R HA 0.472 4.813 4.340 0.001 0.000 0.271 150 R C -0.025 176.400 176.300 0.208 0.000 1.010 150 R CA -0.923 55.286 56.100 0.182 0.000 0.897 150 R CB 0.640 31.045 30.300 0.175 0.000 1.236 150 R HN 0.390 nan 8.270 nan 0.000 0.466 151 I N 0.799 121.539 120.570 0.284 0.000 2.628 151 I HA 0.175 4.346 4.170 0.001 0.000 0.255 151 I C 0.910 177.139 176.117 0.185 0.000 1.119 151 I CA 0.408 61.841 61.300 0.220 0.000 1.448 151 I CB -0.541 37.648 38.000 0.316 0.000 1.133 151 I HN 0.491 nan 8.210 nan 0.000 0.438 152 L N 1.856 123.192 121.223 0.188 0.000 2.331 152 L HA 0.375 4.716 4.340 0.001 0.000 0.275 152 L C -2.257 174.689 176.870 0.128 0.000 1.022 152 L CA -1.700 53.169 54.840 0.049 0.000 0.812 152 L CB 1.506 43.358 42.059 -0.345 0.000 1.257 152 L HN -0.138 nan 8.230 nan 0.000 0.435 153 P HA 0.055 nan 4.420 nan 0.000 0.273 153 P C -0.610 176.683 177.300 -0.013 0.000 1.250 153 P CA -0.493 62.549 63.100 -0.096 0.000 0.793 153 P CB 0.502 32.035 31.700 -0.279 0.000 1.011 154 S N -0.495 115.197 115.700 -0.014 0.000 2.589 154 S HA 0.149 4.620 4.470 0.001 0.000 0.265 154 S C 0.084 174.719 174.600 0.058 0.000 1.342 154 S CA -0.687 57.533 58.200 0.033 0.000 1.005 154 S CB -0.157 63.056 63.200 0.023 0.000 0.909 154 S HN 0.195 nan 8.310 nan 0.000 0.555 155 V N 3.559 123.527 119.914 0.090 0.000 2.439 155 V HA 0.246 4.366 4.120 0.001 0.000 0.271 155 V C -2.037 174.082 176.094 0.041 0.000 1.040 155 V CA -1.450 60.914 62.300 0.106 0.000 1.002 155 V CB -0.144 31.758 31.823 0.132 0.000 1.000 155 V HN 0.762 nan 8.190 nan 0.000 0.477 156 P HA 0.101 nan 4.420 nan 0.000 0.264 156 P C 0.651 177.946 177.300 -0.007 0.000 1.183 156 P CA 0.130 63.223 63.100 -0.011 0.000 0.763 156 P CB 0.483 32.157 31.700 -0.044 0.000 0.807 157 R N 2.024 122.528 120.500 0.006 0.000 2.193 157 R HA -0.112 4.229 4.340 0.001 0.000 0.229 157 R C 1.090 177.390 176.300 0.001 0.000 1.110 157 R CA 1.422 57.528 56.100 0.011 0.000 0.988 157 R CB -0.301 30.012 30.300 0.021 0.000 0.871 157 R HN 0.611 nan 8.270 nan 0.000 0.458 158 D N -0.867 119.528 120.400 -0.009 0.000 2.340 158 D HA -0.023 4.617 4.640 0.001 0.000 0.220 158 D C 0.046 176.325 176.300 -0.035 0.000 1.039 158 D CA -0.144 53.847 54.000 -0.015 0.000 0.866 158 D CB -0.454 40.341 40.800 -0.009 0.000 0.913 158 D HN 0.009 nan 8.370 nan 0.000 0.523 159 c N 1.942 120.510 118.600 -0.053 0.000 2.662 159 c HA 0.104 4.675 4.570 0.001 0.000 0.420 159 c C -0.537 173.513 174.090 -0.067 0.000 1.314 159 c CA -0.921 55.353 56.329 -0.092 0.000 1.963 159 c CB 0.908 43.349 42.510 -0.115 0.000 2.686 159 c HN 0.219 nan 8.230 nan 0.000 0.609 160 P HA -0.045 nan 4.420 nan 0.000 0.215 160 P C 0.612 177.892 177.300 -0.033 0.000 1.153 160 P CA 1.397 64.464 63.100 -0.055 0.000 0.853 160 P CB -0.037 31.618 31.700 -0.074 0.000 0.788 161 T N -6.245 108.286 114.554 -0.039 0.000 2.912 161 T HA 0.419 4.770 4.350 0.001 0.000 0.288 161 T C -2.278 172.432 174.700 0.017 0.000 1.030 161 T CA -2.434 59.666 62.100 -0.000 0.000 1.020 161 T CB 1.762 70.638 68.868 0.013 0.000 1.056 161 T HN -0.274 nan 8.240 nan 0.000 0.480 162 P HA -0.024 nan 4.420 nan 0.000 0.218 162 P C 1.150 178.506 177.300 0.093 0.000 1.146 162 P CA 1.107 64.247 63.100 0.066 0.000 0.813 162 P CB 0.040 31.789 31.700 0.082 0.000 0.778 163 M N -2.821 116.844 119.600 0.108 0.000 2.371 163 M HA 0.321 4.802 4.480 0.001 0.000 0.246 163 M C 1.213 177.617 176.300 0.174 0.000 1.103 163 M CA 0.501 55.893 55.300 0.152 0.000 1.010 163 M CB 0.082 32.782 32.600 0.167 0.000 1.457 163 M HN 0.056 nan 8.290 nan 0.000 0.486 164 G N 0.946 109.781 108.800 0.058 0.000 1.920 164 G HA2 -0.232 3.728 3.960 0.001 0.000 0.210 164 G HA3 -0.232 3.728 3.960 0.001 0.000 0.210 164 G C 0.545 175.333 174.900 -0.186 0.000 1.302 164 G CA 0.440 45.485 45.100 -0.091 0.000 1.333 164 G HN 0.262 nan 8.290 nan 0.000 0.452 165 T N -1.333 113.096 114.554 -0.209 0.000 2.969 165 T HA 0.512 4.863 4.350 0.001 0.000 0.250 165 T C 0.746 175.393 174.700 -0.088 0.000 1.021 165 T CA 1.174 63.121 62.100 -0.255 0.000 1.003 165 T CB 0.599 69.151 68.868 -0.527 0.000 1.040 165 T HN 0.424 nan 8.240 nan 0.000 0.492 166 K N 1.014 121.409 120.400 -0.009 0.000 2.118 166 K HA 0.716 5.037 4.320 0.001 0.000 0.254 166 K C 0.566 177.213 176.600 0.079 0.000 0.961 166 K CA 0.638 56.952 56.287 0.045 0.000 0.876 166 K CB 1.324 33.865 32.500 0.068 0.000 1.077 166 K HN 0.532 nan 8.250 nan 0.000 0.440 167 G N -0.891 107.967 108.800 0.096 0.000 2.549 167 G HA2 0.173 4.134 3.960 0.001 0.000 0.404 167 G HA3 0.173 4.134 3.960 0.001 0.000 0.404 167 G C -0.977 173.979 174.900 0.094 0.000 1.292 167 G CA -0.456 44.723 45.100 0.132 0.000 0.935 167 G HN 0.675 nan 8.290 nan 0.000 0.512 168 K N -0.565 119.893 120.400 0.096 0.000 2.090 168 K HA 0.903 5.224 4.320 0.001 0.000 0.250 168 K C 1.793 178.420 176.600 0.045 0.000 1.004 168 K CA 1.245 57.566 56.287 0.056 0.000 0.919 168 K CB 0.025 32.548 32.500 0.037 0.000 1.045 168 K HN 2.156 nan 8.250 nan 0.000 0.471 169 K N 0.045 120.461 120.400 0.027 0.000 2.063 169 K HA 0.105 4.426 4.320 0.001 0.000 0.208 169 K C 1.571 178.184 176.600 0.021 0.000 1.048 169 K CA 2.511 58.810 56.287 0.020 0.000 0.928 169 K CB -1.030 31.477 32.500 0.012 0.000 0.713 169 K HN 1.359 nan 8.250 nan 0.000 0.442 170 Q N -0.111 119.698 119.800 0.014 0.000 2.312 170 Q HA 0.716 5.057 4.340 0.001 0.000 0.263 170 Q C -0.032 175.971 176.000 0.006 0.000 0.995 170 Q CA -0.744 55.065 55.803 0.010 0.000 0.853 170 Q CB 0.970 29.704 28.738 -0.006 0.000 1.300 170 Q HN 0.490 nan 8.270 nan 0.000 0.448 171 L N 2.201 123.435 121.223 0.019 0.000 2.476 171 L HA 0.370 4.711 4.340 0.001 0.000 0.264 171 L C -1.740 175.088 176.870 -0.071 0.000 1.224 171 L CA -1.496 53.345 54.840 0.002 0.000 0.821 171 L CB 0.843 42.943 42.059 0.067 0.000 1.101 171 L HN 0.609 nan 8.230 nan 0.000 0.488 172 P HA 0.039 nan 4.420 nan 0.000 0.271 172 P C -1.157 176.112 177.300 -0.053 0.000 1.218 172 P CA -0.394 62.603 63.100 -0.172 0.000 0.780 172 P CB 0.352 31.852 31.700 -0.334 0.000 0.901 173 D N 0.799 121.189 120.400 -0.018 0.000 2.493 173 D HA 0.116 4.757 4.640 0.001 0.000 0.240 173 D C 1.198 177.562 176.300 0.106 0.000 1.142 173 D CA 0.348 54.372 54.000 0.041 0.000 0.872 173 D CB 0.610 41.431 40.800 0.034 0.000 1.173 173 D HN 0.324 nan 8.370 nan 0.000 0.467 174 A N 3.739 126.612 122.820 0.089 0.000 1.898 174 A HA -0.160 4.161 4.320 0.001 0.000 0.216 174 A C 1.958 179.608 177.584 0.109 0.000 1.181 174 A CA 1.511 53.609 52.037 0.101 0.000 0.620 174 A CB -0.522 18.526 19.000 0.078 0.000 0.819 174 A HN 0.791 nan 8.150 nan 0.000 0.442 175 E N -1.277 118.986 120.200 0.105 0.000 2.077 175 E HA -0.189 4.162 4.350 0.001 0.000 0.193 175 E C 1.688 178.351 176.600 0.105 0.000 0.989 175 E CA 1.361 57.818 56.400 0.095 0.000 0.800 175 E CB -0.274 29.479 29.700 0.088 0.000 0.746 175 E HN 0.587 nan 8.360 nan 0.000 0.452 176 F N 0.647 120.594 119.950 -0.006 0.000 2.186 176 F HA -0.098 4.430 4.527 0.001 0.000 0.299 176 F C 1.743 177.528 175.800 -0.025 0.000 1.090 176 F CA 1.076 59.057 58.000 -0.031 0.000 1.307 176 F CB 0.021 38.999 39.000 -0.037 0.000 1.019 176 F HN 0.022 nan 8.300 nan 0.000 0.489 177 L N -0.896 120.420 121.223 0.155 0.000 2.046 177 L HA -0.237 4.104 4.340 0.001 0.000 0.208 177 L C 2.516 179.446 176.870 0.099 0.000 1.077 177 L CA 1.442 56.401 54.840 0.197 0.000 0.747 177 L CB -0.809 41.396 42.059 0.243 0.000 0.896 177 L HN 0.053 nan 8.230 nan 0.000 0.432 178 S N -0.683 115.043 115.700 0.044 0.000 2.355 178 S HA -0.114 4.357 4.470 0.001 0.000 0.222 178 S C 2.046 176.594 174.600 -0.087 0.000 1.031 178 S CA 0.826 59.038 58.200 0.018 0.000 0.993 178 S CB -0.174 63.048 63.200 0.037 0.000 0.859 178 S HN 0.314 nan 8.310 nan 0.000 0.453 179 R N 1.265 121.657 120.500 -0.180 0.000 2.083 179 R HA 0.075 4.416 4.340 0.001 0.000 0.237 179 R C 2.304 178.363 176.300 -0.403 0.000 1.137 179 R CA 1.102 57.043 56.100 -0.266 0.000 0.951 179 R CB -0.595 29.517 30.300 -0.312 0.000 0.851 179 R HN 0.269 nan 8.270 nan 0.000 0.434 180 R N -0.501 119.591 120.500 -0.680 0.000 2.090 180 R HA 0.032 4.372 4.340 0.001 0.000 0.228 180 R C 2.026 177.806 176.300 -0.868 0.000 1.110 180 R CA 1.216 56.723 56.100 -0.988 0.000 0.973 180 R CB -0.222 29.094 30.300 -1.640 0.000 0.869 180 R HN 0.291 nan 8.270 nan 0.000 0.440 181 F N -1.502 118.355 119.950 -0.155 0.000 2.752 181 F HA 0.240 4.768 4.527 0.001 0.000 0.310 181 F C 1.766 177.514 175.800 -0.087 0.000 1.097 181 F CA -0.079 57.856 58.000 -0.108 0.000 1.238 181 F CB 0.361 39.306 39.000 -0.091 0.000 1.061 181 F HN -0.198 nan 8.300 nan 0.000 0.591 182 L N -0.252 121.006 121.223 0.058 0.000 2.672 182 L HA 0.263 4.604 4.340 0.001 0.000 0.236 182 L C -0.029 176.851 176.870 0.017 0.000 1.092 182 L CA -0.126 54.738 54.840 0.040 0.000 0.887 182 L CB 0.477 42.573 42.059 0.061 0.000 1.168 182 L HN 0.007 nan 8.230 nan 0.000 0.502 183 L N 1.748 122.958 121.223 -0.022 0.000 2.360 183 L HA 0.205 4.546 4.340 0.001 0.000 0.276 183 L C 0.743 177.608 176.870 -0.007 0.000 1.121 183 L CA 0.152 54.982 54.840 -0.016 0.000 0.845 183 L CB 0.464 42.490 42.059 -0.055 0.000 1.143 183 L HN 0.078 nan 8.230 nan 0.000 0.452 184 R N 3.878 124.396 120.500 0.030 0.000 2.623 184 R HA 0.115 4.456 4.340 0.001 0.000 0.271 184 R C 0.404 176.720 176.300 0.028 0.000 1.043 184 R CA 0.402 56.529 56.100 0.045 0.000 1.083 184 R CB 0.571 30.929 30.300 0.097 0.000 0.974 184 R HN 0.864 nan 8.270 nan 0.000 0.436 185 R N 2.522 123.033 120.500 0.017 0.000 1.776 185 R HA 0.218 4.559 4.340 0.001 0.000 0.146 185 R C -0.118 176.205 176.300 0.039 0.000 2.057 185 R CA 0.745 56.849 56.100 0.008 0.000 1.641 185 R CB -0.326 29.963 30.300 -0.018 0.000 1.256 185 R HN 0.533 nan 8.270 nan 0.000 0.478 186 K N 1.408 121.827 120.400 0.033 0.000 2.118 186 K HA 0.197 4.518 4.320 0.001 0.000 0.264 186 K C -0.654 176.005 176.600 0.098 0.000 1.000 186 K CA -0.394 55.930 56.287 0.062 0.000 0.929 186 K CB -0.128 32.390 32.500 0.030 0.000 1.021 186 K HN 0.294 nan 8.250 nan 0.000 0.463 187 F N 1.977 121.920 119.950 -0.012 0.000 2.504 187 F HA 0.467 4.995 4.527 0.001 0.000 0.369 187 F C -0.071 175.713 175.800 -0.027 0.000 1.082 187 F CA -0.621 57.368 58.000 -0.018 0.000 1.216 187 F CB 0.334 39.323 39.000 -0.020 0.000 1.108 187 F HN 0.414 nan 8.300 nan 0.000 0.554 188 I N 9.148 129.271 120.570 -0.745 0.000 2.330 188 I HA 0.279 4.450 4.170 0.001 0.000 0.286 188 I C -2.152 173.345 176.117 -1.034 0.000 1.025 188 I CA -2.201 58.686 61.300 -0.689 0.000 1.197 188 I CB 1.076 38.873 38.000 -0.338 0.000 1.358 188 I HN 0.435 nan 8.210 nan 0.000 0.467 189 P HA 0.060 nan 4.420 nan 0.000 0.275 189 P C -0.780 176.322 177.300 -0.330 0.000 1.228 189 P CA -0.271 62.467 63.100 -0.603 0.000 0.786 189 P CB 0.877 32.418 31.700 -0.264 0.000 0.927 190 D N 3.409 123.670 120.400 -0.232 0.000 2.401 190 D HA 0.044 4.684 4.640 0.001 0.000 0.254 190 D C -1.440 174.746 176.300 -0.189 0.000 1.192 190 D CA -1.426 52.438 54.000 -0.226 0.000 0.885 190 D CB 0.317 40.970 40.800 -0.246 0.000 1.147 190 D HN 0.143 nan 8.370 nan 0.000 0.478 191 P HA -0.108 nan 4.420 nan 0.000 0.223 191 P C 0.644 177.856 177.300 -0.146 0.000 1.151 191 P CA 0.953 63.965 63.100 -0.147 0.000 0.787 191 P CB 0.155 31.774 31.700 -0.135 0.000 0.788 192 Q N -1.210 118.474 119.800 -0.192 0.000 2.444 192 Q HA 0.168 4.508 4.340 0.001 0.000 0.206 192 Q C 1.152 177.053 176.000 -0.165 0.000 0.948 192 Q CA 0.562 56.244 55.803 -0.202 0.000 0.946 192 Q CB -0.386 28.181 28.738 -0.284 0.000 1.027 192 Q HN 0.232 nan 8.270 nan 0.000 0.513 193 G N 1.085 109.812 108.800 -0.121 0.000 2.148 193 G HA2 -0.258 3.703 3.960 0.001 0.000 0.254 193 G HA3 -0.258 3.703 3.960 0.001 0.000 0.254 193 G C 0.190 175.092 174.900 0.003 0.000 0.981 193 G CA 0.287 45.364 45.100 -0.038 0.000 0.670 193 G HN 0.310 nan 8.290 nan 0.000 0.528 194 T N 1.793 116.281 114.554 -0.109 0.000 2.908 194 T HA 0.386 4.737 4.350 0.001 0.000 0.301 194 T C 0.860 175.566 174.700 0.009 0.000 1.019 194 T CA 0.794 62.808 62.100 -0.144 0.000 1.152 194 T CB 0.681 69.292 68.868 -0.428 0.000 0.966 194 T HN 0.838 nan 8.240 nan 0.000 0.540 195 N N 2.720 121.500 118.700 0.135 0.000 2.671 195 N HA 0.306 5.047 4.740 0.001 0.000 0.303 195 N C 0.811 176.459 175.510 0.230 0.000 1.277 195 N CA -1.196 51.972 53.050 0.197 0.000 0.933 195 N CB 0.367 39.004 38.487 0.250 0.000 1.190 195 N HN 0.387 nan 8.380 nan 0.000 0.600 196 L N -1.145 120.203 121.223 0.207 0.000 2.395 196 L HA 0.037 4.377 4.340 0.001 0.000 0.218 196 L C 1.959 179.000 176.870 0.285 0.000 1.130 196 L CA 0.622 55.511 54.840 0.083 0.000 0.826 196 L CB -0.386 41.689 42.059 0.027 0.000 0.941 196 L HN 0.544 nan 8.230 nan 0.000 0.451 197 M N -0.062 119.833 119.600 0.492 0.000 2.159 197 M HA -0.232 4.249 4.480 0.001 0.000 0.263 197 M C 1.993 178.748 176.300 0.757 0.000 1.063 197 M CA 1.875 57.557 55.300 0.636 0.000 1.110 197 M CB -0.491 32.388 32.600 0.464 0.000 1.374 197 M HN 0.174 nan 8.290 nan 0.000 0.411 198 F N 0.229 120.488 119.950 0.515 0.000 2.084 198 F HA -0.032 4.496 4.527 0.001 0.000 0.296 198 F C 2.120 178.090 175.800 0.283 0.000 1.111 198 F CA 1.771 59.996 58.000 0.375 0.000 1.224 198 F CB -0.746 38.317 39.000 0.105 0.000 0.991 198 F HN 0.167 nan 8.300 nan 0.000 0.471 199 A N 0.020 123.079 122.820 0.398 0.000 1.948 199 A HA -0.216 4.105 4.320 0.001 0.000 0.220 199 A C 1.980 179.558 177.584 -0.011 0.000 1.177 199 A CA 1.977 54.105 52.037 0.151 0.000 0.636 199 A CB -1.419 17.529 19.000 -0.086 0.000 0.815 199 A HN 0.477 nan 8.150 nan 0.000 0.449 200 F N -2.063 117.990 119.950 0.171 0.000 2.270 200 F HA 0.093 4.621 4.527 0.001 0.000 0.295 200 F C 1.915 177.695 175.800 -0.034 0.000 1.087 200 F CA 0.262 58.319 58.000 0.094 0.000 1.365 200 F CB -0.881 38.212 39.000 0.154 0.000 1.056 200 F HN 0.329 nan 8.300 nan 0.000 0.506 201 F N 0.776 120.712 119.950 -0.024 0.000 2.069 201 F HA -0.203 4.325 4.527 0.002 0.000 0.298 201 F C 2.442 178.150 175.800 -0.154 0.000 1.113 201 F CA 1.591 59.357 58.000 -0.390 0.000 1.214 201 F CB -0.528 38.446 39.000 -0.042 0.000 0.978 201 F HN -0.061 nan 8.300 nan 0.000 0.474 202 A N -0.097 122.860 122.820 0.229 0.000 1.869 202 A HA -0.361 3.960 4.320 0.001 0.000 0.218 202 A C 2.209 179.796 177.584 0.004 0.000 1.203 202 A CA 2.236 54.411 52.037 0.232 0.000 0.638 202 A CB -1.328 17.826 19.000 0.256 0.000 0.831 202 A HN 0.620 nan 8.150 nan 0.000 0.450 203 Q N -1.778 117.993 119.800 -0.048 0.000 2.124 203 Q HA -0.265 4.076 4.340 0.001 0.000 0.202 203 Q C 2.006 177.787 176.000 -0.365 0.000 0.977 203 Q CA 2.056 57.720 55.803 -0.233 0.000 0.850 203 Q CB -0.213 28.415 28.738 -0.182 0.000 0.901 203 Q HN 0.915 nan 8.270 nan 0.000 0.429 204 H N -0.483 118.360 119.070 -0.377 0.000 2.256 204 H HA -0.183 4.374 4.556 0.001 0.000 0.299 204 H C 1.696 176.843 175.328 -0.301 0.000 1.071 204 H CA 2.234 58.025 56.048 -0.428 0.000 1.280 204 H CB -0.696 28.721 29.762 -0.575 0.000 1.370 204 H HN 0.310 nan 8.280 nan 0.000 0.490 205 F N 1.369 121.004 119.950 -0.525 0.000 2.087 205 F HA -0.293 4.235 4.527 0.001 0.000 0.299 205 F C 2.605 177.899 175.800 -0.843 0.000 1.100 205 F CA 2.619 60.238 58.000 -0.634 0.000 1.226 205 F CB -0.996 37.712 39.000 -0.487 0.000 0.983 205 F HN 0.436 nan 8.300 nan 0.000 0.479 206 T N -3.084 110.914 114.554 -0.926 0.000 2.904 206 T HA -0.189 4.162 4.350 0.001 0.000 0.267 206 T C 1.469 175.322 174.700 -1.413 0.000 1.059 206 T CA 1.566 62.746 62.100 -1.532 0.000 1.137 206 T CB -0.886 67.417 68.868 -0.942 0.000 0.879 206 T HN 0.384 nan 8.240 nan 0.000 0.467 207 H N 1.955 120.497 119.070 -0.881 0.000 2.556 207 H HA 0.158 4.715 4.556 0.001 0.000 0.273 207 H C 2.278 177.226 175.328 -0.633 0.000 1.030 207 H CA 0.632 56.353 56.048 -0.545 0.000 1.156 207 H CB -0.327 29.354 29.762 -0.134 0.000 1.326 207 H HN 0.770 nan 8.280 nan 0.000 0.609 208 Q N -0.317 118.922 119.800 -0.935 0.000 2.376 208 Q HA -0.018 4.323 4.340 0.001 0.000 0.206 208 Q C 0.552 176.221 176.000 -0.553 0.000 0.921 208 Q CA 0.717 56.070 55.803 -0.750 0.000 0.911 208 Q CB 0.023 28.156 28.738 -1.009 0.000 1.032 208 Q HN 0.547 nan 8.270 nan 0.000 0.510 209 F N -3.004 116.557 119.950 -0.647 0.000 2.746 209 F HA 0.518 5.046 4.527 0.001 0.000 0.320 209 F C -0.475 174.967 175.800 -0.597 0.000 1.097 209 F CA -1.156 56.471 58.000 -0.622 0.000 1.195 209 F CB 0.650 39.252 39.000 -0.664 0.000 1.056 209 F HN -0.218 nan 8.300 nan 0.000 0.562 210 F N 3.211 122.902 119.950 -0.432 0.000 2.363 210 F HA 0.494 5.022 4.527 0.001 0.000 0.366 210 F C -0.275 175.325 175.800 -0.334 0.000 1.083 210 F CA -1.555 56.257 58.000 -0.314 0.000 1.176 210 F CB 1.096 39.765 39.000 -0.553 0.000 1.432 210 F HN -0.070 nan 8.300 nan 0.000 0.482 211 K N 1.821 122.228 120.400 0.010 0.000 2.687 211 K HA 0.298 4.619 4.320 0.001 0.000 0.197 211 K C -0.440 176.162 176.600 0.004 0.000 1.049 211 K CA -0.353 55.896 56.287 -0.064 0.000 1.030 211 K CB 1.388 33.812 32.500 -0.127 0.000 1.261 211 K HN 0.260 nan 8.250 nan 0.000 0.565 212 T N 1.051 115.653 114.554 0.079 0.000 2.851 212 T HA 0.015 4.366 4.350 0.001 0.000 0.298 212 T C 0.394 175.122 174.700 0.047 0.000 0.977 212 T CA 0.118 62.297 62.100 0.131 0.000 1.126 212 T CB 1.129 70.117 68.868 0.199 0.000 0.916 212 T HN 0.244 nan 8.240 nan 0.000 0.529 213 S N 2.255 117.977 115.700 0.037 0.000 2.422 213 S HA 0.338 4.809 4.470 0.001 0.000 0.283 213 S C 1.633 176.235 174.600 0.003 0.000 1.163 213 S CA -0.558 57.640 58.200 -0.002 0.000 1.054 213 S CB 0.079 63.255 63.200 -0.039 0.000 0.967 213 S HN 0.858 nan 8.310 nan 0.000 0.499 214 G N 5.054 113.848 108.800 -0.008 0.000 2.408 214 G HA2 -0.176 3.785 3.960 0.001 0.000 0.217 214 G HA3 -0.176 3.785 3.960 0.001 0.000 0.217 214 G C 1.568 176.447 174.900 -0.035 0.000 1.150 214 G CA 0.617 45.710 45.100 -0.013 0.000 0.776 214 G HN 0.758 nan 8.290 nan 0.000 0.542 215 K N -0.080 120.287 120.400 -0.055 0.000 2.228 215 K HA 0.156 4.477 4.320 0.001 0.000 0.202 215 K C 2.116 178.630 176.600 -0.143 0.000 1.051 215 K CA 0.667 56.906 56.287 -0.081 0.000 0.960 215 K CB -0.288 32.169 32.500 -0.073 0.000 0.743 215 K HN 0.357 nan 8.250 nan 0.000 0.458 216 M N 0.451 119.934 119.600 -0.195 0.000 2.486 216 M HA 0.119 4.600 4.480 0.001 0.000 0.264 216 M C 0.420 176.522 176.300 -0.331 0.000 1.125 216 M CA 0.768 55.822 55.300 -0.409 0.000 1.144 216 M CB 0.483 32.711 32.600 -0.621 0.000 1.353 216 M HN 0.436 nan 8.290 nan 0.000 0.466 217 G N 1.194 109.950 108.800 -0.073 0.000 2.541 217 G HA2 -0.087 3.874 3.960 0.001 0.000 0.686 217 G HA3 -0.087 3.874 3.960 0.001 0.000 0.686 217 G C -3.131 171.912 174.900 0.238 0.000 1.286 217 G CA -1.270 43.876 45.100 0.076 0.000 0.894 217 G HN 0.052 nan 8.290 nan 0.000 0.575 218 P HA 0.405 nan 4.420 nan 0.000 0.272 218 P C 1.116 178.563 177.300 0.244 0.000 1.223 218 P CA 1.762 64.982 63.100 0.201 0.000 0.784 218 P CB 0.922 32.692 31.700 0.116 0.000 0.923 219 G N 0.334 109.277 108.800 0.238 0.000 2.175 219 G HA2 -0.220 3.741 3.960 0.001 0.000 0.244 219 G HA3 -0.220 3.741 3.960 0.001 0.000 0.244 219 G C -0.280 174.536 174.900 -0.140 0.000 0.982 219 G CA -0.337 44.840 45.100 0.128 0.000 0.641 219 G HN 0.434 nan 8.290 nan 0.000 0.527 220 F N 0.151 120.115 119.950 0.023 0.000 2.538 220 F HA 0.795 5.323 4.527 0.001 0.000 0.325 220 F C 0.487 176.052 175.800 -0.391 0.000 1.066 220 F CA -0.158 57.701 58.000 -0.234 0.000 0.946 220 F CB 2.543 41.402 39.000 -0.235 0.000 1.199 220 F HN 0.050 nan 8.300 nan 0.000 0.473 221 T N 0.515 114.872 114.554 -0.328 0.000 2.916 221 T HA 0.329 4.680 4.350 0.001 0.000 0.305 221 T C 0.163 174.722 174.700 -0.236 0.000 1.119 221 T CA -0.588 61.237 62.100 -0.459 0.000 1.008 221 T CB 1.669 69.941 68.868 -0.992 0.000 1.129 221 T HN 0.719 nan 8.240 nan 0.000 0.480 222 K N 1.587 121.878 120.400 -0.183 0.000 2.334 222 K HA 0.381 4.702 4.320 0.001 0.000 0.195 222 K C 0.858 177.369 176.600 -0.148 0.000 1.045 222 K CA 0.116 56.324 56.287 -0.131 0.000 1.004 222 K CB 0.399 32.842 32.500 -0.095 0.000 0.837 222 K HN 0.590 nan 8.250 nan 0.000 0.510 223 A N 1.992 124.689 122.820 -0.206 0.000 2.915 223 A HA 0.162 4.483 4.320 0.001 0.000 0.292 223 A C 0.817 178.238 177.584 -0.271 0.000 1.632 223 A CA -0.063 51.846 52.037 -0.214 0.000 1.337 223 A CB -0.636 18.226 19.000 -0.231 0.000 1.111 223 A HN 0.227 nan 8.150 nan 0.000 0.569 224 L N 1.643 122.790 121.223 -0.126 0.000 2.478 224 L HA 0.021 4.361 4.340 0.001 0.000 0.223 224 L C 2.421 179.364 176.870 0.122 0.000 1.140 224 L CA 0.811 55.657 54.840 0.009 0.000 0.842 224 L CB -0.225 41.849 42.059 0.024 0.000 0.953 224 L HN 0.684 nan 8.230 nan 0.000 0.452 225 G N -1.787 107.031 108.800 0.031 0.000 2.471 225 G HA2 -0.193 3.768 3.960 0.001 0.000 0.219 225 G HA3 -0.193 3.768 3.960 0.001 0.000 0.219 225 G C 0.668 175.638 174.900 0.117 0.000 1.125 225 G CA 0.079 45.219 45.100 0.066 0.000 0.775 225 G HN 0.594 nan 8.290 nan 0.000 0.548 226 H N -0.471 118.579 119.070 -0.033 0.000 2.741 226 H HA -0.173 4.383 4.556 0.001 0.000 0.305 226 H C 1.184 176.450 175.328 -0.104 0.000 1.169 226 H CA 1.005 57.027 56.048 -0.044 0.000 1.144 226 H CB -1.342 28.393 29.762 -0.045 0.000 1.397 226 H HN 0.798 nan 8.280 nan 0.000 0.409 227 G N -1.547 107.217 108.800 -0.061 0.000 2.512 227 G HA2 0.207 4.168 3.960 0.001 0.000 0.181 227 G HA3 0.207 4.168 3.960 0.001 0.000 0.181 227 G C -0.758 174.097 174.900 -0.075 0.000 1.173 227 G CA -0.208 44.770 45.100 -0.203 0.000 0.988 227 G HN 0.166 nan 8.290 nan 0.000 0.485 228 V N 2.701 122.594 119.914 -0.035 0.000 2.162 228 V HA 0.271 4.392 4.120 0.001 0.000 0.255 228 V C 0.503 176.648 176.094 0.085 0.000 1.304 228 V CA 0.715 63.040 62.300 0.041 0.000 1.198 228 V CB 0.222 32.131 31.823 0.142 0.000 1.333 228 V HN 0.743 nan 8.190 nan 0.000 0.493 229 D N 2.541 122.981 120.400 0.067 0.000 2.379 229 D HA 0.026 4.667 4.640 0.001 0.000 0.208 229 D C 0.960 177.363 176.300 0.172 0.000 1.065 229 D CA -0.437 53.631 54.000 0.113 0.000 0.848 229 D CB 0.293 41.147 40.800 0.090 0.000 0.949 229 D HN 0.248 nan 8.370 nan 0.000 0.509 230 L N 0.280 121.590 121.223 0.146 0.000 4.040 230 L HA -0.142 4.199 4.340 0.001 0.000 0.410 230 L C 1.557 178.573 176.870 0.244 0.000 1.187 230 L CA 0.686 55.658 54.840 0.220 0.000 0.956 230 L CB -1.935 40.230 42.059 0.177 0.000 2.022 230 L HN 0.341 nan 8.230 nan 0.000 0.897 231 G N -0.933 107.976 108.800 0.182 0.000 2.990 231 G HA2 -0.095 3.865 3.960 0.001 0.000 0.206 231 G HA3 -0.095 3.865 3.960 0.001 0.000 0.206 231 G C 1.096 176.024 174.900 0.047 0.000 1.169 231 G CA 0.594 45.761 45.100 0.113 0.000 0.819 231 G HN 0.798 nan 8.290 nan 0.000 0.517 232 H N -1.352 117.590 119.070 -0.213 0.000 2.622 232 H HA 0.305 4.861 4.556 0.001 0.000 0.269 232 H C 1.676 176.899 175.328 -0.175 0.000 0.977 232 H CA -0.443 55.441 56.048 -0.273 0.000 1.179 232 H CB -0.102 29.477 29.762 -0.304 0.000 1.458 232 H HN 0.419 nan 8.280 nan 0.000 0.531 233 I N -0.585 119.715 120.570 -0.449 0.000 3.300 233 I HA -0.022 4.149 4.170 0.001 0.000 0.279 233 I C 0.925 176.758 176.117 -0.474 0.000 1.172 233 I CA 0.245 61.199 61.300 -0.576 0.000 1.431 233 I CB 0.202 37.641 38.000 -0.934 0.000 1.240 233 I HN -0.021 nan 8.210 nan 0.000 0.453 234 Y N 1.271 121.574 120.300 0.006 0.000 2.467 234 Y HA 0.514 5.065 4.550 0.001 0.000 0.250 234 Y C 1.147 177.069 175.900 0.036 0.000 1.155 234 Y CA -0.183 57.955 58.100 0.063 0.000 1.249 234 Y CB -0.078 38.486 38.460 0.174 0.000 1.146 234 Y HN 0.116 nan 8.280 nan 0.000 0.524 235 G N 1.323 110.174 108.800 0.084 0.000 2.712 235 G HA2 -0.243 3.717 3.960 0.001 0.000 0.686 235 G HA3 -0.243 3.717 3.960 0.001 0.000 0.686 235 G C -0.116 174.806 174.900 0.036 0.000 1.321 235 G CA -0.226 44.890 45.100 0.026 0.000 0.813 235 G HN 0.401 nan 8.290 nan 0.000 0.599 236 D N -0.315 120.075 120.400 -0.016 0.000 2.349 236 D HA 0.084 4.724 4.640 0.001 0.000 0.224 236 D C 0.858 177.150 176.300 -0.013 0.000 1.029 236 D CA 0.935 54.922 54.000 -0.022 0.000 0.879 236 D CB 0.066 40.829 40.800 -0.062 0.000 0.906 236 D HN 0.806 nan 8.370 nan 0.000 0.528 237 N N -0.247 118.447 118.700 -0.010 0.000 2.416 237 N HA 0.061 4.802 4.740 0.001 0.000 0.276 237 N C 0.285 175.773 175.510 -0.036 0.000 1.261 237 N CA -0.802 52.233 53.050 -0.026 0.000 0.790 237 N CB 1.581 40.043 38.487 -0.043 0.000 1.554 237 N HN -0.084 nan 8.380 nan 0.000 0.481 238 L N 0.811 121.980 121.223 -0.089 0.000 2.017 238 L HA -0.216 4.125 4.340 0.001 0.000 0.208 238 L C 2.785 179.490 176.870 -0.276 0.000 1.073 238 L CA 2.910 57.627 54.840 -0.204 0.000 0.745 238 L CB -0.800 41.079 42.059 -0.300 0.000 0.894 238 L HN 0.921 nan 8.230 nan 0.000 0.432 239 E N 0.037 120.116 120.200 -0.201 0.000 2.160 239 E HA -0.315 4.036 4.350 0.001 0.000 0.195 239 E C 2.173 178.773 176.600 -0.000 0.000 0.991 239 E CA 1.627 57.957 56.400 -0.117 0.000 0.810 239 E CB -0.640 29.016 29.700 -0.074 0.000 0.742 239 E HN 0.510 nan 8.360 nan 0.000 0.466 240 R N -0.517 119.980 120.500 -0.005 0.000 2.057 240 R HA -0.142 4.199 4.340 0.001 0.000 0.229 240 R C 2.766 179.107 176.300 0.068 0.000 1.136 240 R CA 1.528 57.643 56.100 0.025 0.000 0.952 240 R CB -0.256 30.043 30.300 -0.002 0.000 0.848 240 R HN 0.563 nan 8.270 nan 0.000 0.430 241 Q N -0.213 119.634 119.800 0.078 0.000 2.096 241 Q HA -0.262 4.079 4.340 0.001 0.000 0.208 241 Q C 1.775 177.855 176.000 0.133 0.000 0.993 241 Q CA 2.056 57.929 55.803 0.117 0.000 0.862 241 Q CB -0.331 28.493 28.738 0.144 0.000 0.915 241 Q HN 0.586 nan 8.270 nan 0.000 0.416 242 Y N -0.116 120.179 120.300 -0.007 0.000 2.207 242 Y HA -0.279 4.272 4.550 0.001 0.000 0.287 242 Y C 2.621 178.610 175.900 0.148 0.000 1.156 242 Y CA 0.986 59.167 58.100 0.135 0.000 1.182 242 Y CB 0.119 38.727 38.460 0.245 0.000 0.979 242 Y HN 0.297 nan 8.280 nan 0.000 0.521 243 Q N -0.203 119.736 119.800 0.233 0.000 2.230 243 Q HA -0.116 4.225 4.340 0.001 0.000 0.202 243 Q C 1.779 177.820 176.000 0.067 0.000 0.963 243 Q CA 0.919 56.804 55.803 0.137 0.000 0.866 243 Q CB -0.083 28.709 28.738 0.090 0.000 0.931 243 Q HN 0.299 nan 8.270 nan 0.000 0.452 244 L N -0.178 121.064 121.223 0.032 0.000 2.313 244 L HA 0.083 4.424 4.340 0.001 0.000 0.214 244 L C 0.395 177.225 176.870 -0.067 0.000 1.119 244 L CA 1.040 55.880 54.840 0.002 0.000 0.809 244 L CB -0.514 41.560 42.059 0.025 0.000 0.933 244 L HN 0.087 nan 8.230 nan 0.000 0.449 245 R N -0.414 119.952 120.500 -0.223 0.000 2.357 245 R HA 0.143 4.483 4.340 0.001 0.000 0.296 245 R C 1.262 177.376 176.300 -0.310 0.000 1.052 245 R CA -0.322 55.495 56.100 -0.472 0.000 0.988 245 R CB 1.227 30.815 30.300 -1.187 0.000 1.025 245 R HN 0.055 nan 8.270 nan 0.000 0.469 246 L N 2.585 123.710 121.223 -0.164 0.000 2.083 246 L HA -0.117 4.224 4.340 0.001 0.000 0.209 246 L C 0.265 177.175 176.870 0.067 0.000 1.083 246 L CA 1.228 56.064 54.840 -0.006 0.000 0.752 246 L CB -0.053 42.049 42.059 0.072 0.000 0.899 246 L HN 0.799 nan 8.230 nan 0.000 0.433 247 F N -1.209 118.701 119.950 -0.066 0.000 3.034 247 F HA -0.304 4.224 4.527 0.001 0.000 0.286 247 F C 0.525 176.309 175.800 -0.027 0.000 0.804 247 F CA 0.805 58.748 58.000 -0.094 0.000 1.161 247 F CB -1.982 36.927 39.000 -0.152 0.000 1.317 247 F HN 0.162 nan 8.300 nan 0.000 0.453 248 K N -0.070 120.402 120.400 0.120 0.000 2.426 248 K HA 0.607 4.928 4.320 0.001 0.000 0.254 248 K C 0.464 177.136 176.600 0.120 0.000 0.936 248 K CA -0.124 56.233 56.287 0.116 0.000 0.801 248 K CB 1.058 33.622 32.500 0.107 0.000 1.139 248 K HN 0.173 nan 8.250 nan 0.000 0.424 249 D N 1.137 121.612 120.400 0.125 0.000 2.983 249 D HA -0.214 4.427 4.640 0.001 0.000 0.225 249 D C 1.006 177.404 176.300 0.164 0.000 1.174 249 D CA 2.610 56.693 54.000 0.139 0.000 0.831 249 D CB -1.386 39.488 40.800 0.123 0.000 1.104 249 D HN 2.042 nan 8.370 nan 0.000 0.421 250 G N -0.444 108.458 108.800 0.169 0.000 2.155 250 G HA2 -0.391 3.570 3.960 0.001 0.000 0.257 250 G HA3 -0.391 3.570 3.960 0.001 0.000 0.257 250 G C 0.350 175.467 174.900 0.362 0.000 0.983 250 G CA 0.950 46.199 45.100 0.249 0.000 0.676 250 G HN 0.500 nan 8.290 nan 0.000 0.528 251 K N -0.557 119.995 120.400 0.253 0.000 2.090 251 K HA 0.657 4.978 4.320 0.001 0.000 0.250 251 K C 0.712 177.455 176.600 0.238 0.000 1.004 251 K CA -0.622 55.857 56.287 0.320 0.000 0.919 251 K CB 0.929 33.569 32.500 0.235 0.000 1.045 251 K HN 0.173 nan 8.250 nan 0.000 0.471 252 L N 1.811 123.194 121.223 0.266 0.000 2.379 252 L HA 0.275 4.616 4.340 0.001 0.000 0.269 252 L C 0.357 177.351 176.870 0.208 0.000 1.084 252 L CA -0.575 54.342 54.840 0.130 0.000 0.802 252 L CB 0.829 42.936 42.059 0.081 0.000 1.175 252 L HN 0.414 nan 8.230 nan 0.000 0.448 253 K N 1.452 121.931 120.400 0.132 0.000 2.414 253 K HA 0.229 4.550 4.320 0.001 0.000 0.272 253 K C -1.137 175.613 176.600 0.250 0.000 0.993 253 K CA 0.413 56.786 56.287 0.144 0.000 0.964 253 K CB 0.494 33.023 32.500 0.048 0.000 0.925 253 K HN 0.469 nan 8.250 nan 0.000 0.487 254 Y N -1.797 118.530 120.300 0.045 0.000 2.689 254 Y HA 0.311 4.862 4.550 0.001 0.000 0.333 254 Y C -1.606 174.326 175.900 0.054 0.000 1.208 254 Y CA -1.406 56.726 58.100 0.054 0.000 1.055 254 Y CB 1.139 39.629 38.460 0.050 0.000 1.304 254 Y HN 0.579 nan 8.280 nan 0.000 0.455 255 Q N 1.994 121.872 119.800 0.130 0.000 2.397 255 Q HA 0.619 4.960 4.340 0.001 0.000 0.275 255 Q C -1.549 174.563 176.000 0.187 0.000 1.090 255 Q CA -1.242 54.588 55.803 0.045 0.000 0.809 255 Q CB 2.738 31.501 28.738 0.042 0.000 1.362 255 Q HN 0.649 nan 8.270 nan 0.000 0.431 256 M N 3.088 122.763 119.600 0.126 0.000 2.144 256 M HA 0.461 4.941 4.480 0.001 0.000 0.356 256 M C -1.133 175.260 176.300 0.154 0.000 1.217 256 M CA -0.213 55.184 55.300 0.162 0.000 1.087 256 M CB 0.485 33.155 32.600 0.116 0.000 1.609 256 M HN 0.701 nan 8.290 nan 0.000 0.467 257 L N 4.239 125.604 121.223 0.236 0.000 2.438 257 L HA 0.392 4.733 4.340 0.001 0.000 0.270 257 L C 0.389 177.377 176.870 0.196 0.000 0.972 257 L CA -0.505 54.445 54.840 0.183 0.000 0.831 257 L CB 1.829 43.966 42.059 0.130 0.000 1.273 257 L HN 0.724 nan 8.230 nan 0.000 0.405 258 N N 2.366 121.126 118.700 0.099 0.000 2.765 258 N HA -0.225 4.516 4.740 0.001 0.000 0.248 258 N C 0.888 176.443 175.510 0.074 0.000 1.063 258 N CA 1.570 54.666 53.050 0.077 0.000 0.862 258 N CB -0.711 37.823 38.487 0.078 0.000 1.145 258 N HN 1.155 nan 8.380 nan 0.000 0.581 259 G N -1.318 107.530 108.800 0.080 0.000 2.159 259 G HA2 -0.240 3.721 3.960 0.001 0.000 0.227 259 G HA3 -0.240 3.721 3.960 0.001 0.000 0.227 259 G C -0.378 174.544 174.900 0.036 0.000 0.986 259 G CA 0.390 45.522 45.100 0.053 0.000 0.651 259 G HN 0.397 nan 8.290 nan 0.000 0.523 260 E N -0.338 119.896 120.200 0.055 0.000 2.244 260 E HA 0.581 4.932 4.350 0.001 0.000 0.266 260 E C -0.127 176.362 176.600 -0.184 0.000 0.914 260 E CA -0.811 55.535 56.400 -0.090 0.000 0.794 260 E CB 2.478 32.102 29.700 -0.127 0.000 1.210 260 E HN 0.131 nan 8.360 nan 0.000 0.414 261 V N 2.977 122.689 119.914 -0.337 0.000 2.432 261 V HA 0.220 4.341 4.120 0.001 0.000 0.271 261 V C -0.765 175.052 176.094 -0.461 0.000 1.046 261 V CA 0.001 62.164 62.300 -0.227 0.000 0.945 261 V CB -0.497 31.204 31.823 -0.203 0.000 0.992 261 V HN 0.493 nan 8.190 nan 0.000 0.471 262 Y N 4.608 124.973 120.300 0.108 0.000 2.545 262 Y HA 0.478 5.028 4.550 0.001 0.000 0.348 262 Y C -2.324 173.644 175.900 0.114 0.000 1.002 262 Y CA -2.843 55.305 58.100 0.079 0.000 1.039 262 Y CB 2.223 40.712 38.460 0.048 0.000 1.271 262 Y HN 0.433 nan 8.280 nan 0.000 0.467 263 P HA -0.024 nan 4.420 nan 0.000 0.266 263 P C -2.480 174.914 177.300 0.157 0.000 1.193 263 P CA -0.628 62.587 63.100 0.192 0.000 0.770 263 P CB -0.040 31.760 31.700 0.167 0.000 0.836 264 P HA 0.005 nan 4.420 nan 0.000 0.273 264 P C -0.290 177.032 177.300 0.036 0.000 1.250 264 P CA -0.040 63.097 63.100 0.062 0.000 0.793 264 P CB 0.333 32.056 31.700 0.039 0.000 1.011 265 S N -0.482 115.219 115.700 0.002 0.000 2.603 265 S HA 0.094 4.565 4.470 0.001 0.000 0.268 265 S C 1.450 176.031 174.600 -0.032 0.000 1.317 265 S CA -0.669 57.513 58.200 -0.029 0.000 1.012 265 S CB 0.172 63.345 63.200 -0.046 0.000 0.926 265 S HN 0.225 nan 8.310 nan 0.000 0.539 266 V N 1.496 121.374 119.914 -0.060 0.000 2.594 266 V HA -0.149 3.972 4.120 0.001 0.000 0.253 266 V C 2.720 178.789 176.094 -0.042 0.000 1.069 266 V CA 2.224 64.493 62.300 -0.052 0.000 1.082 266 V CB -1.143 30.629 31.823 -0.085 0.000 0.680 266 V HN 1.038 nan 8.190 nan 0.000 0.469 267 E N -0.358 119.813 120.200 -0.049 0.000 2.160 267 E HA -0.229 4.122 4.350 0.001 0.000 0.195 267 E C 2.084 178.668 176.600 -0.027 0.000 0.991 267 E CA 1.281 57.658 56.400 -0.039 0.000 0.810 267 E CB 0.159 29.832 29.700 -0.044 0.000 0.742 267 E HN 0.618 nan 8.360 nan 0.000 0.466 268 E N -0.814 119.372 120.200 -0.023 0.000 2.251 268 E HA 0.072 4.423 4.350 0.001 0.000 0.194 268 E C 0.158 176.757 176.600 -0.003 0.000 0.964 268 E CA 0.441 56.832 56.400 -0.016 0.000 0.868 268 E CB 0.741 30.427 29.700 -0.024 0.000 0.828 268 E HN 0.105 nan 8.360 nan 0.000 0.481 269 A N 2.892 125.713 122.820 0.001 0.000 2.802 269 A HA 0.431 4.752 4.320 0.001 0.000 0.344 269 A C -2.521 175.068 177.584 0.008 0.000 1.215 269 A CA -1.523 50.522 52.037 0.014 0.000 0.821 269 A CB 0.335 19.349 19.000 0.022 0.000 1.099 269 A HN -0.183 nan 8.150 nan 0.000 0.479 270 P HA 0.199 nan 4.420 nan 0.000 0.263 270 P C -0.242 177.056 177.300 -0.003 0.000 1.345 270 P CA 0.472 63.570 63.100 -0.004 0.000 1.119 270 P CB 0.188 31.887 31.700 -0.003 0.000 1.363 271 V N 1.362 121.270 119.914 -0.010 0.000 2.876 271 V HA 0.432 4.553 4.120 0.001 0.000 0.312 271 V C -0.196 175.876 176.094 -0.037 0.000 1.085 271 V CA -1.622 60.667 62.300 -0.019 0.000 0.945 271 V CB 2.082 33.897 31.823 -0.013 0.000 1.017 271 V HN 0.174 nan 8.190 nan 0.000 0.428 272 L N 4.558 125.743 121.223 -0.063 0.000 2.597 272 L HA 0.283 4.623 4.340 0.001 0.000 0.271 272 L C -0.378 176.401 176.870 -0.151 0.000 1.157 272 L CA 0.569 55.345 54.840 -0.107 0.000 0.928 272 L CB 0.163 42.140 42.059 -0.136 0.000 1.216 272 L HN 0.681 nan 8.230 nan 0.000 0.481 273 M N 4.660 124.210 119.600 -0.082 0.000 2.311 273 M HA 0.250 4.731 4.480 0.001 0.000 0.325 273 M C -0.653 175.674 176.300 0.044 0.000 1.061 273 M CA -0.411 54.890 55.300 0.002 0.000 0.957 273 M CB 1.453 34.205 32.600 0.253 0.000 1.646 273 M HN 0.465 nan 8.290 nan 0.000 0.434 274 H N 2.941 122.069 119.070 0.098 0.000 3.109 274 H HA 0.291 4.848 4.556 0.001 0.000 0.266 274 H C -1.281 174.045 175.328 -0.002 0.000 1.334 274 H CA 0.373 56.453 56.048 0.053 0.000 1.456 274 H CB -0.108 29.658 29.762 0.008 0.000 1.587 274 H HN 0.416 nan 8.280 nan 0.000 0.500 275 Y N 2.118 122.481 120.300 0.104 0.000 2.509 275 Y HA 0.285 4.836 4.550 0.001 0.000 0.341 275 Y C -1.814 174.071 175.900 -0.024 0.000 1.038 275 Y CA -2.729 55.398 58.100 0.044 0.000 1.089 275 Y CB 1.125 39.597 38.460 0.021 0.000 1.241 275 Y HN 0.520 nan 8.280 nan 0.000 0.468 276 P HA 0.120 nan 4.420 nan 0.000 0.265 276 P C -0.506 176.782 177.300 -0.019 0.000 1.187 276 P CA -0.115 62.919 63.100 -0.108 0.000 0.766 276 P CB 0.371 31.925 31.700 -0.243 0.000 0.820 277 R N 2.109 122.588 120.500 -0.036 0.000 2.446 277 R HA 0.418 4.759 4.340 0.001 0.000 0.325 277 R C 1.320 177.610 176.300 -0.017 0.000 0.997 277 R CA 0.398 56.489 56.100 -0.014 0.000 1.010 277 R CB -1.453 28.836 30.300 -0.018 0.000 0.946 277 R HN 0.956 nan 8.270 nan 0.000 0.422 278 G N 1.105 109.900 108.800 -0.009 0.000 2.380 278 G HA2 -0.122 3.839 3.960 0.001 0.000 0.197 278 G HA3 -0.122 3.839 3.960 0.001 0.000 0.197 278 G C 0.110 175.001 174.900 -0.015 0.000 1.001 278 G CA -0.107 44.986 45.100 -0.013 0.000 0.668 278 G HN 0.648 nan 8.290 nan 0.000 0.483 279 I N 3.401 123.968 120.570 -0.006 0.000 2.436 279 I HA 0.314 4.484 4.170 0.001 0.000 0.289 279 I C -1.924 174.151 176.117 -0.070 0.000 1.083 279 I CA -2.241 59.045 61.300 -0.023 0.000 1.372 279 I CB 0.178 38.196 38.000 0.031 0.000 1.408 279 I HN -0.024 nan 8.210 nan 0.000 0.516 280 P HA 0.318 nan 4.420 nan 0.000 0.279 280 P C -2.115 175.101 177.300 -0.139 0.000 1.252 280 P CA -1.628 61.419 63.100 -0.089 0.000 0.811 280 P CB 0.185 31.845 31.700 -0.065 0.000 1.035 281 P HA -0.217 nan 4.420 nan 0.000 0.216 281 P C 1.499 178.715 177.300 -0.141 0.000 1.150 281 P CA 1.604 64.623 63.100 -0.136 0.000 0.843 281 P CB -0.232 31.417 31.700 -0.086 0.000 0.787 282 Q N -0.824 118.912 119.800 -0.108 0.000 2.224 282 Q HA -0.023 4.318 4.340 0.001 0.000 0.203 282 Q C 1.539 177.472 176.000 -0.111 0.000 0.970 282 Q CA 1.613 57.361 55.803 -0.092 0.000 0.865 282 Q CB -1.314 27.384 28.738 -0.067 0.000 0.922 282 Q HN 0.201 nan 8.270 nan 0.000 0.445 283 S N 1.235 116.851 115.700 -0.141 0.000 2.528 283 S HA -0.019 4.452 4.470 0.001 0.000 0.219 283 S C 0.736 175.191 174.600 -0.241 0.000 0.985 283 S CA 0.152 58.263 58.200 -0.148 0.000 0.914 283 S CB -0.028 63.101 63.200 -0.118 0.000 0.776 283 S HN 0.609 nan 8.310 nan 0.000 0.526 284 Q N 0.526 120.097 119.800 -0.381 0.000 2.312 284 Q HA 0.647 4.988 4.340 0.001 0.000 0.263 284 Q C -0.981 174.826 176.000 -0.323 0.000 0.995 284 Q CA -0.580 54.791 55.803 -0.720 0.000 0.853 284 Q CB 1.136 28.983 28.738 -1.484 0.000 1.300 284 Q HN 0.155 nan 8.270 nan 0.000 0.448 285 M N 1.723 121.272 119.600 -0.085 0.000 2.314 285 M HA 0.547 5.027 4.480 0.001 0.000 0.342 285 M C -0.578 175.803 176.300 0.135 0.000 1.171 285 M CA -0.618 54.722 55.300 0.068 0.000 1.098 285 M CB 1.865 34.542 32.600 0.129 0.000 1.559 285 M HN 0.856 nan 8.290 nan 0.000 0.459 286 A N 3.141 126.015 122.820 0.090 0.000 2.271 286 A HA 0.733 5.054 4.320 0.001 0.000 0.317 286 A C -0.446 177.192 177.584 0.090 0.000 1.245 286 A CA -0.587 51.499 52.037 0.082 0.000 0.857 286 A CB 0.435 19.459 19.000 0.041 0.000 1.175 286 A HN 0.763 nan 8.150 nan 0.000 0.512 287 V N -0.053 119.911 119.914 0.083 0.000 3.084 287 V HA 0.885 5.006 4.120 0.001 0.000 0.311 287 V C 1.090 177.176 176.094 -0.014 0.000 1.311 287 V CA 0.016 62.356 62.300 0.066 0.000 1.062 287 V CB 0.951 32.872 31.823 0.163 0.000 1.113 287 V HN 0.940 nan 8.190 nan 0.000 0.468 288 G N -1.136 107.630 108.800 -0.058 0.000 2.421 288 G HA2 0.013 3.974 3.960 0.001 0.000 0.217 288 G HA3 0.013 3.974 3.960 0.001 0.000 0.217 288 G C 0.680 175.455 174.900 -0.209 0.000 1.143 288 G CA 0.526 45.560 45.100 -0.110 0.000 0.784 288 G HN 0.603 nan 8.290 nan 0.000 0.541 289 Q N -0.065 119.480 119.800 -0.423 0.000 2.271 289 Q HA 0.270 4.611 4.340 0.001 0.000 0.258 289 Q C 0.437 176.136 176.000 -0.501 0.000 0.936 289 Q CA -0.266 55.132 55.803 -0.675 0.000 0.909 289 Q CB 1.935 29.723 28.738 -1.585 0.000 1.253 289 Q HN 0.260 nan 8.270 nan 0.000 0.440 290 E N 1.125 121.148 120.200 -0.296 0.000 2.338 290 E HA -0.125 4.226 4.350 0.001 0.000 0.197 290 E C 1.397 177.968 176.600 -0.050 0.000 1.007 290 E CA 0.994 57.284 56.400 -0.184 0.000 0.849 290 E CB 0.162 29.708 29.700 -0.257 0.000 0.774 290 E HN 0.474 nan 8.360 nan 0.000 0.506 291 V N -2.497 117.394 119.914 -0.039 0.000 3.578 291 V HA 0.140 4.261 4.120 0.001 0.000 0.290 291 V C 1.059 177.265 176.094 0.185 0.000 1.376 291 V CA 0.027 62.395 62.300 0.114 0.000 1.083 291 V CB -0.415 31.513 31.823 0.175 0.000 0.911 291 V HN -0.018 nan 8.190 nan 0.000 0.433 292 F N 2.915 122.862 119.950 -0.006 0.000 2.502 292 F HA 0.277 4.805 4.527 0.001 0.000 0.298 292 F C 2.375 178.121 175.800 -0.090 0.000 1.111 292 F CA 0.683 58.670 58.000 -0.021 0.000 1.445 292 F CB -1.227 37.793 39.000 0.032 0.000 1.081 292 F HN 0.378 nan 8.300 nan 0.000 0.558 293 G N 0.181 108.962 108.800 -0.033 0.000 2.471 293 G HA2 -0.116 3.845 3.960 0.001 0.000 0.219 293 G HA3 -0.116 3.845 3.960 0.001 0.000 0.219 293 G C 1.861 176.582 174.900 -0.298 0.000 1.125 293 G CA 1.014 45.910 45.100 -0.340 0.000 0.775 293 G HN 0.375 nan 8.290 nan 0.000 0.548 294 L N -0.643 120.494 121.223 -0.143 0.000 2.291 294 L HA 0.642 4.983 4.340 0.001 0.000 0.214 294 L C 1.059 177.830 176.870 -0.166 0.000 1.120 294 L CA 1.000 55.846 54.840 0.010 0.000 0.799 294 L CB -0.757 41.388 42.059 0.144 0.000 0.925 294 L HN 0.222 nan 8.230 nan 0.000 0.446 295 L N -1.526 119.582 121.223 -0.190 0.000 2.436 295 L HA 0.457 4.797 4.340 0.001 0.000 0.268 295 L C -1.793 174.832 176.870 -0.408 0.000 0.974 295 L CA -1.631 53.006 54.840 -0.338 0.000 0.826 295 L CB 2.204 44.148 42.059 -0.190 0.000 1.291 295 L HN -0.149 nan 8.230 nan 0.000 0.406 296 P HA -0.119 nan 4.420 nan 0.000 0.216 296 P C 1.460 178.528 177.300 -0.387 0.000 1.150 296 P CA 1.187 63.982 63.100 -0.509 0.000 0.837 296 P CB 0.305 31.571 31.700 -0.724 0.000 0.786 297 G N -0.349 108.081 108.800 -0.618 0.000 2.442 297 G HA2 -0.233 3.727 3.960 0.001 0.000 0.219 297 G HA3 -0.233 3.727 3.960 0.001 0.000 0.219 297 G C 1.373 175.985 174.900 -0.481 0.000 1.141 297 G CA 0.548 45.055 45.100 -0.988 0.000 0.763 297 G HN 0.153 nan 8.290 nan 0.000 0.554 298 L N -0.421 120.571 121.223 -0.385 0.000 2.109 298 L HA 0.190 4.530 4.340 0.001 0.000 0.207 298 L C 2.659 179.358 176.870 -0.284 0.000 1.086 298 L CA 1.380 56.016 54.840 -0.340 0.000 0.760 298 L CB -0.519 41.324 42.059 -0.361 0.000 0.910 298 L HN 0.228 nan 8.230 nan 0.000 0.437 299 M N -1.603 117.896 119.600 -0.169 0.000 2.419 299 M HA -0.095 4.386 4.480 0.001 0.000 0.264 299 M C 1.952 178.226 176.300 -0.043 0.000 1.082 299 M CA 1.288 56.560 55.300 -0.046 0.000 1.119 299 M CB -0.395 32.193 32.600 -0.021 0.000 1.398 299 M HN 0.178 nan 8.290 nan 0.000 0.453 300 L N -0.972 120.187 121.223 -0.106 0.000 1.989 300 L HA -0.275 4.066 4.340 0.001 0.000 0.211 300 L C 1.865 178.618 176.870 -0.195 0.000 1.071 300 L CA 1.981 56.742 54.840 -0.132 0.000 0.749 300 L CB -0.586 41.378 42.059 -0.158 0.000 0.890 300 L HN 0.282 nan 8.230 nan 0.000 0.431 301 Y N -0.344 119.813 120.300 -0.238 0.000 2.373 301 Y HA -0.116 4.434 4.550 0.001 0.000 0.293 301 Y C 2.560 178.329 175.900 -0.217 0.000 1.129 301 Y CA 0.995 58.877 58.100 -0.364 0.000 1.226 301 Y CB -0.525 37.428 38.460 -0.846 0.000 1.000 301 Y HN 0.280 nan 8.280 nan 0.000 0.549 302 A N -0.531 122.304 122.820 0.024 0.000 1.933 302 A HA -0.199 4.122 4.320 0.001 0.000 0.218 302 A C 2.274 179.938 177.584 0.134 0.000 1.175 302 A CA 2.308 54.453 52.037 0.180 0.000 0.628 302 A CB -1.114 18.024 19.000 0.229 0.000 0.814 302 A HN 0.390 nan 8.150 nan 0.000 0.444 303 T N 0.360 114.957 114.554 0.071 0.000 2.701 303 T HA -0.075 4.276 4.350 0.001 0.000 0.263 303 T C 1.829 176.511 174.700 -0.030 0.000 1.040 303 T CA 1.498 63.620 62.100 0.037 0.000 1.147 303 T CB -0.431 68.462 68.868 0.042 0.000 0.865 303 T HN 0.428 nan 8.240 nan 0.000 0.426 304 I N -0.617 119.892 120.570 -0.102 0.000 2.163 304 I HA -0.217 3.953 4.170 0.001 0.000 0.243 304 I C 2.262 178.279 176.117 -0.167 0.000 1.085 304 I CA 1.607 62.782 61.300 -0.208 0.000 1.347 304 I CB -0.392 37.393 38.000 -0.358 0.000 1.044 304 I HN 0.336 nan 8.210 nan 0.000 0.408 305 W N 0.527 121.819 121.300 -0.013 0.000 2.402 305 W HA -0.087 4.573 4.660 0.001 0.000 0.286 305 W C 2.458 178.994 176.519 0.029 0.000 1.221 305 W CA 0.456 57.813 57.345 0.020 0.000 1.257 305 W CB -0.175 29.284 29.460 -0.000 0.000 1.120 305 W HN 0.131 nan 8.180 nan 0.000 0.551 306 L N 0.645 121.991 121.223 0.206 0.000 2.056 306 L HA -0.142 4.199 4.340 0.001 0.000 0.207 306 L C 2.561 179.499 176.870 0.114 0.000 1.078 306 L CA 1.655 56.583 54.840 0.146 0.000 0.749 306 L CB -0.374 41.745 42.059 0.100 0.000 0.901 306 L HN -0.111 nan 8.230 nan 0.000 0.433 307 R N -0.348 120.165 120.500 0.021 0.000 2.083 307 R HA -0.242 4.099 4.340 0.001 0.000 0.237 307 R C 2.220 178.520 176.300 -0.000 0.000 1.137 307 R CA 1.753 57.824 56.100 -0.048 0.000 0.951 307 R CB -0.383 29.848 30.300 -0.115 0.000 0.851 307 R HN 0.373 nan 8.270 nan 0.000 0.434 308 E N 0.179 120.397 120.200 0.031 0.000 2.038 308 E HA -0.247 4.104 4.350 0.001 0.000 0.195 308 E C 1.770 178.464 176.600 0.157 0.000 1.000 308 E CA 1.901 58.341 56.400 0.066 0.000 0.803 308 E CB -0.260 29.475 29.700 0.059 0.000 0.750 308 E HN 0.416 nan 8.360 nan 0.000 0.448 309 H N -0.131 119.044 119.070 0.174 0.000 2.265 309 H HA -0.126 4.430 4.556 0.001 0.000 0.295 309 H C 1.714 177.129 175.328 0.145 0.000 1.084 309 H CA 2.474 58.649 56.048 0.213 0.000 1.261 309 H CB -0.204 29.732 29.762 0.289 0.000 1.360 309 H HN 0.162 nan 8.280 nan 0.000 0.487 310 N N 0.141 118.971 118.700 0.217 0.000 2.223 310 N HA -0.137 4.604 4.740 0.001 0.000 0.185 310 N C 2.000 177.510 175.510 0.000 0.000 1.016 310 N CA 1.051 54.155 53.050 0.089 0.000 0.863 310 N CB -0.377 38.107 38.487 -0.005 0.000 0.983 310 N HN 0.420 nan 8.380 nan 0.000 0.429 311 R N 0.752 121.248 120.500 -0.006 0.000 2.092 311 R HA -0.027 4.314 4.340 0.001 0.000 0.231 311 R C 1.636 177.930 176.300 -0.009 0.000 1.119 311 R CA 0.914 57.002 56.100 -0.020 0.000 0.970 311 R CB -0.154 30.130 30.300 -0.026 0.000 0.864 311 R HN -0.002 nan 8.270 nan 0.000 0.440 312 V N 0.430 120.341 119.914 -0.003 0.000 2.358 312 V HA -0.316 3.805 4.120 0.001 0.000 0.246 312 V C 2.553 178.644 176.094 -0.006 0.000 1.047 312 V CA 1.761 64.062 62.300 0.002 0.000 1.035 312 V CB -0.474 31.356 31.823 0.012 0.000 0.658 312 V HN 0.525 nan 8.190 nan 0.000 0.452 313 C N 0.071 119.347 119.300 -0.040 0.000 2.413 313 C HA -0.187 4.274 4.460 0.001 0.000 0.277 313 C C 2.503 177.514 174.990 0.036 0.000 1.265 313 C CA 0.903 59.926 59.018 0.009 0.000 1.752 313 C CB -1.135 26.616 27.740 0.018 0.000 1.998 313 C HN 0.597 nan 8.230 nan 0.000 0.489 314 D N 0.805 121.215 120.400 0.015 0.000 2.117 314 D HA -0.086 4.555 4.640 0.001 0.000 0.197 314 D C 2.065 178.363 176.300 -0.005 0.000 0.987 314 D CA 1.106 55.111 54.000 0.008 0.000 0.829 314 D CB -0.413 40.384 40.800 -0.005 0.000 0.961 314 D HN 0.460 nan 8.370 nan 0.000 0.460 315 L N -0.017 121.202 121.223 -0.008 0.000 2.056 315 L HA -0.161 4.180 4.340 0.001 0.000 0.207 315 L C 2.305 179.152 176.870 -0.040 0.000 1.078 315 L CA 0.413 55.240 54.840 -0.022 0.000 0.749 315 L CB -0.252 41.802 42.059 -0.009 0.000 0.901 315 L HN 0.050 nan 8.230 nan 0.000 0.433 316 L N -0.044 121.181 121.223 0.002 0.000 2.131 316 L HA -0.190 4.151 4.340 0.001 0.000 0.210 316 L C 2.455 179.303 176.870 -0.038 0.000 1.092 316 L CA 1.646 56.495 54.840 0.017 0.000 0.759 316 L CB -0.768 41.381 42.059 0.150 0.000 0.903 316 L HN 0.178 nan 8.230 nan 0.000 0.435 317 K N -1.099 119.302 120.400 0.002 0.000 2.167 317 K HA -0.021 4.299 4.320 0.001 0.000 0.203 317 K C 2.020 178.577 176.600 -0.072 0.000 1.052 317 K CA 0.878 57.167 56.287 0.004 0.000 0.956 317 K CB 0.042 32.571 32.500 0.049 0.000 0.735 317 K HN 0.276 nan 8.250 nan 0.000 0.451 318 A N 0.434 123.197 122.820 -0.095 0.000 2.015 318 A HA -0.123 4.198 4.320 0.001 0.000 0.219 318 A C 1.803 179.263 177.584 -0.207 0.000 1.163 318 A CA 1.477 53.444 52.037 -0.116 0.000 0.646 318 A CB -0.196 18.750 19.000 -0.089 0.000 0.806 318 A HN 0.272 nan 8.150 nan 0.000 0.448 319 E N -0.643 119.351 120.200 -0.344 0.000 2.276 319 E HA 0.019 4.370 4.350 0.001 0.000 0.193 319 E C -0.189 175.859 176.600 -0.920 0.000 0.983 319 E CA 0.518 56.546 56.400 -0.620 0.000 0.861 319 E CB 0.172 29.410 29.700 -0.771 0.000 0.817 319 E HN 0.649 nan 8.360 nan 0.000 0.485 320 H N -1.000 117.813 119.070 -0.428 0.000 2.488 320 H HA 0.205 4.762 4.556 0.001 0.000 0.237 320 H C -2.127 173.040 175.328 -0.269 0.000 1.395 320 H CA -1.755 53.940 56.048 -0.589 0.000 1.491 320 H CB 1.230 30.038 29.762 -1.590 0.000 1.567 320 H HN 0.075 nan 8.280 nan 0.000 0.508 321 P HA -0.110 nan 4.420 nan 0.000 0.221 321 P C 1.687 179.041 177.300 0.091 0.000 1.150 321 P CA 1.181 64.293 63.100 0.019 0.000 0.800 321 P CB 0.172 31.870 31.700 -0.002 0.000 0.787 322 T N -6.583 108.041 114.554 0.118 0.000 3.113 322 T HA -0.022 4.329 4.350 0.001 0.000 0.256 322 T C 0.304 175.188 174.700 0.306 0.000 1.131 322 T CA -0.300 61.905 62.100 0.175 0.000 1.074 322 T CB -0.676 68.285 68.868 0.156 0.000 0.944 322 T HN -0.144 nan 8.240 nan 0.000 0.516 323 W N 2.490 123.826 121.300 0.060 0.000 2.216 323 W HA 0.661 5.322 4.660 0.001 0.000 0.326 323 W C 1.125 177.668 176.519 0.040 0.000 1.319 323 W CA -1.023 56.344 57.345 0.036 0.000 1.213 323 W CB 0.187 29.672 29.460 0.041 0.000 1.171 323 W HN 0.273 nan 8.180 nan 0.000 0.557 324 G N 1.623 110.519 108.800 0.160 0.000 2.588 324 G HA2 -0.000 3.960 3.960 0.001 0.000 0.278 324 G HA3 -0.000 3.960 3.960 0.001 0.000 0.278 324 G C 0.489 175.456 174.900 0.111 0.000 1.307 324 G CA 0.010 45.170 45.100 0.099 0.000 1.016 324 G HN 0.500 nan 8.290 nan 0.000 0.503 325 D N -1.023 119.438 120.400 0.102 0.000 2.084 325 D HA -0.166 4.475 4.640 0.001 0.000 0.194 325 D C 2.077 178.445 176.300 0.113 0.000 0.990 325 D CA 1.721 55.794 54.000 0.122 0.000 0.826 325 D CB -0.018 40.861 40.800 0.132 0.000 0.971 325 D HN 0.450 nan 8.370 nan 0.000 0.453 326 E N 0.230 120.475 120.200 0.076 0.000 2.038 326 E HA -0.271 4.080 4.350 0.001 0.000 0.195 326 E C 2.127 178.743 176.600 0.027 0.000 1.000 326 E CA 1.590 58.037 56.400 0.078 0.000 0.803 326 E CB -0.376 29.351 29.700 0.045 0.000 0.750 326 E HN 0.431 nan 8.360 nan 0.000 0.448 327 Q N -0.362 119.354 119.800 -0.140 0.000 2.135 327 Q HA -0.156 4.185 4.340 0.001 0.000 0.204 327 Q C 2.235 178.082 176.000 -0.256 0.000 0.981 327 Q CA 1.543 57.108 55.803 -0.398 0.000 0.856 327 Q CB -0.133 28.063 28.738 -0.903 0.000 0.902 327 Q HN 0.376 nan 8.270 nan 0.000 0.425 328 L N -0.429 120.816 121.223 0.037 0.000 2.017 328 L HA -0.169 4.172 4.340 0.001 0.000 0.208 328 L C 2.295 179.261 176.870 0.161 0.000 1.073 328 L CA 1.254 56.238 54.840 0.239 0.000 0.745 328 L CB -0.510 41.721 42.059 0.287 0.000 0.894 328 L HN 0.330 nan 8.230 nan 0.000 0.432 329 F N 0.543 120.513 119.950 0.034 0.000 2.102 329 F HA -0.237 4.291 4.527 0.001 0.000 0.298 329 F C 2.697 178.501 175.800 0.006 0.000 1.105 329 F CA 1.510 59.543 58.000 0.054 0.000 1.239 329 F CB -0.235 38.769 39.000 0.006 0.000 0.991 329 F HN 0.038 nan 8.300 nan 0.000 0.474 330 Q N -0.012 119.683 119.800 -0.174 0.000 2.124 330 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 330 Q C 2.233 178.082 176.000 -0.251 0.000 0.977 330 Q CA 2.126 57.750 55.803 -0.298 0.000 0.850 330 Q CB -1.114 27.546 28.738 -0.130 0.000 0.901 330 Q HN 0.429 nan 8.270 nan 0.000 0.429 331 T N 1.293 115.761 114.554 -0.143 0.000 2.812 331 T HA -0.025 4.325 4.350 0.001 0.000 0.264 331 T C 1.912 176.632 174.700 0.032 0.000 1.042 331 T CA 1.219 63.305 62.100 -0.023 0.000 1.140 331 T CB -0.216 68.736 68.868 0.140 0.000 0.870 331 T HN 0.389 nan 8.240 nan 0.000 0.445 332 A N 1.761 124.557 122.820 -0.039 0.000 1.940 332 A HA -0.128 4.192 4.320 0.001 0.000 0.219 332 A C 2.283 179.869 177.584 0.003 0.000 1.176 332 A CA 1.831 53.822 52.037 -0.078 0.000 0.631 332 A CB -0.590 18.182 19.000 -0.381 0.000 0.814 332 A HN 0.428 nan 8.150 nan 0.000 0.446 333 R N -0.373 120.036 120.500 -0.151 0.000 2.081 333 R HA -0.055 4.285 4.340 0.001 0.000 0.235 333 R C 1.898 178.258 176.300 0.101 0.000 1.131 333 R CA 1.534 57.565 56.100 -0.115 0.000 0.960 333 R CB -0.393 29.552 30.300 -0.593 0.000 0.856 333 R HN 0.517 nan 8.270 nan 0.000 0.436 334 L N 0.131 121.416 121.223 0.103 0.000 2.056 334 L HA -0.141 4.200 4.340 0.001 0.000 0.207 334 L C 2.382 179.550 176.870 0.497 0.000 1.078 334 L CA 1.140 56.144 54.840 0.274 0.000 0.749 334 L CB -0.347 41.796 42.059 0.140 0.000 0.901 334 L HN 0.208 nan 8.230 nan 0.000 0.433 335 I N -0.599 120.245 120.570 0.455 0.000 2.208 335 I HA -0.304 3.867 4.170 0.001 0.000 0.245 335 I C 2.325 178.633 176.117 0.319 0.000 1.097 335 I CA 1.203 62.724 61.300 0.368 0.000 1.363 335 I CB -0.161 38.006 38.000 0.279 0.000 1.051 335 I HN 0.163 nan 8.210 nan 0.000 0.413 336 L N 0.068 121.490 121.223 0.333 0.000 2.093 336 L HA -0.158 4.183 4.340 0.001 0.000 0.208 336 L C 2.290 179.348 176.870 0.314 0.000 1.085 336 L CA 1.726 56.800 54.840 0.391 0.000 0.755 336 L CB -0.460 41.864 42.059 0.441 0.000 0.904 336 L HN 0.145 nan 8.230 nan 0.000 0.435 337 I N -0.984 119.760 120.570 0.291 0.000 2.226 337 I HA -0.255 3.916 4.170 0.001 0.000 0.245 337 I C 2.516 178.805 176.117 0.286 0.000 1.100 337 I CA 1.428 62.884 61.300 0.261 0.000 1.374 337 I CB -0.986 37.182 38.000 0.281 0.000 1.057 337 I HN 0.344 nan 8.210 nan 0.000 0.413 338 G N 0.417 109.437 108.800 0.367 0.000 2.491 338 G HA2 -0.258 3.703 3.960 0.001 0.000 0.218 338 G HA3 -0.258 3.703 3.960 0.001 0.000 0.218 338 G C 1.517 176.578 174.900 0.268 0.000 1.180 338 G CA 0.821 46.147 45.100 0.377 0.000 0.774 338 G HN 0.425 nan 8.290 nan 0.000 0.562 339 E N -0.163 120.213 120.200 0.292 0.000 2.077 339 E HA -0.107 4.243 4.350 0.001 0.000 0.193 339 E C 2.818 179.626 176.600 0.346 0.000 0.989 339 E CA 1.439 58.027 56.400 0.314 0.000 0.800 339 E CB -0.291 29.640 29.700 0.385 0.000 0.746 339 E HN 0.375 nan 8.360 nan 0.000 0.452 340 T N 1.606 116.382 114.554 0.371 0.000 2.684 340 T HA -0.159 4.191 4.350 0.001 0.000 0.267 340 T C 2.021 176.796 174.700 0.125 0.000 1.036 340 T CA 1.128 63.419 62.100 0.319 0.000 1.148 340 T CB -0.223 68.728 68.868 0.138 0.000 0.863 340 T HN 0.129 nan 8.240 nan 0.000 0.436 341 I N 0.864 121.420 120.570 -0.024 0.000 2.252 341 I HA -0.127 4.043 4.170 0.001 0.000 0.245 341 I C 2.546 178.335 176.117 -0.547 0.000 1.102 341 I CA 1.081 62.197 61.300 -0.306 0.000 1.385 341 I CB -0.335 37.391 38.000 -0.457 0.000 1.064 341 I HN 0.147 nan 8.210 nan 0.000 0.414 342 K N 2.079 122.186 120.400 -0.489 0.000 2.009 342 K HA -0.173 4.147 4.320 0.001 0.000 0.210 342 K C 1.868 178.473 176.600 0.008 0.000 1.049 342 K CA 1.906 58.088 56.287 -0.175 0.000 0.929 342 K CB -0.459 32.136 32.500 0.158 0.000 0.714 342 K HN 0.248 nan 8.250 nan 0.000 0.440 343 I N 0.012 120.630 120.570 0.080 0.000 2.179 343 I HA -0.251 3.920 4.170 0.001 0.000 0.242 343 I C 2.191 178.360 176.117 0.087 0.000 1.088 343 I CA 1.001 62.383 61.300 0.136 0.000 1.357 343 I CB -0.314 37.829 38.000 0.239 0.000 1.051 343 I HN -0.017 nan 8.210 nan 0.000 0.409 344 V N 1.164 121.056 119.914 -0.036 0.000 2.287 344 V HA -0.305 3.816 4.120 0.001 0.000 0.248 344 V C 2.312 178.418 176.094 0.020 0.000 1.053 344 V CA 2.080 64.270 62.300 -0.183 0.000 1.027 344 V CB -0.388 31.135 31.823 -0.500 0.000 0.646 344 V HN 0.333 nan 8.190 nan 0.000 0.447 345 I N -0.651 119.924 120.570 0.009 0.000 2.286 345 I HA -0.178 3.993 4.170 0.001 0.000 0.245 345 I C 2.355 178.543 176.117 0.118 0.000 1.104 345 I CA 1.551 62.900 61.300 0.081 0.000 1.397 345 I CB -0.223 37.823 38.000 0.075 0.000 1.072 345 I HN 0.349 nan 8.210 nan 0.000 0.417 346 E N -0.246 120.027 120.200 0.122 0.000 2.447 346 E HA -0.029 4.321 4.350 0.001 0.000 0.195 346 E C 1.284 177.971 176.600 0.146 0.000 1.028 346 E CA 0.381 56.860 56.400 0.131 0.000 0.876 346 E CB 0.469 30.250 29.700 0.136 0.000 0.885 346 E HN 0.533 nan 8.360 nan 0.000 0.500 347 E N -0.916 119.404 120.200 0.200 0.000 2.564 347 E HA -0.002 4.349 4.350 0.001 0.000 0.203 347 E C 1.331 178.143 176.600 0.352 0.000 0.867 347 E CA -0.137 56.452 56.400 0.314 0.000 1.250 347 E CB -0.029 29.895 29.700 0.373 0.000 1.215 347 E HN 0.069 nan 8.360 nan 0.000 0.566 348 Y N 2.050 122.362 120.300 0.020 0.000 2.133 348 Y HA -0.214 4.337 4.550 0.001 0.000 0.287 348 Y C 2.124 178.016 175.900 -0.013 0.000 1.134 348 Y CA 1.566 59.448 58.100 -0.362 0.000 1.133 348 Y CB -0.063 38.029 38.460 -0.613 0.000 0.987 348 Y HN -0.185 nan 8.280 nan 0.000 0.502 349 V N 0.522 120.577 119.914 0.235 0.000 2.515 349 V HA -0.274 3.847 4.120 0.001 0.000 0.250 349 V C 2.234 178.316 176.094 -0.020 0.000 1.058 349 V CA 1.947 64.335 62.300 0.146 0.000 1.064 349 V CB -0.818 31.118 31.823 0.188 0.000 0.675 349 V HN 0.385 nan 8.190 nan 0.000 0.461 350 Q N 0.621 120.427 119.800 0.011 0.000 2.030 350 Q HA -0.278 4.063 4.340 0.001 0.000 0.204 350 Q C 2.274 178.209 176.000 -0.108 0.000 0.986 350 Q CA 2.429 58.210 55.803 -0.037 0.000 0.843 350 Q CB -0.440 28.326 28.738 0.046 0.000 0.904 350 Q HN 0.647 nan 8.270 nan 0.000 0.420 351 Q N -0.495 119.260 119.800 -0.075 0.000 2.124 351 Q HA -0.133 4.207 4.340 0.001 0.000 0.202 351 Q C 1.839 177.626 176.000 -0.355 0.000 0.977 351 Q CA 1.557 57.262 55.803 -0.163 0.000 0.850 351 Q CB -0.508 28.177 28.738 -0.089 0.000 0.901 351 Q HN 0.470 nan 8.270 nan 0.000 0.429 352 L N 0.031 121.021 121.223 -0.388 0.000 2.027 352 L HA -0.112 4.229 4.340 0.001 0.000 0.206 352 L C 2.321 178.961 176.870 -0.383 0.000 1.074 352 L CA 2.262 56.840 54.840 -0.437 0.000 0.745 352 L CB -0.832 41.107 42.059 -0.200 0.000 0.898 352 L HN 0.449 nan 8.230 nan 0.000 0.433 353 S N -0.855 114.614 115.700 -0.384 0.000 2.387 353 S HA 0.061 4.532 4.470 0.001 0.000 0.226 353 S C 1.700 175.937 174.600 -0.605 0.000 1.026 353 S CA 0.541 58.346 58.200 -0.659 0.000 0.972 353 S CB -0.922 61.563 63.200 -1.193 0.000 0.814 353 S HN 0.792 nan 8.310 nan 0.000 0.477 354 G N 0.571 109.118 108.800 -0.422 0.000 2.198 354 G HA2 -0.280 3.681 3.960 0.001 0.000 0.260 354 G HA3 -0.280 3.681 3.960 0.001 0.000 0.260 354 G C -0.036 174.711 174.900 -0.254 0.000 1.025 354 G CA 0.385 45.312 45.100 -0.287 0.000 0.769 354 G HN 0.688 nan 8.290 nan 0.000 0.507 355 Y N -1.309 118.787 120.300 -0.339 0.000 2.326 355 Y HA 0.393 4.944 4.550 0.002 0.000 0.333 355 Y C 1.401 177.093 175.900 -0.347 0.000 1.240 355 Y CA -1.199 56.605 58.100 -0.493 0.000 1.365 355 Y CB 0.417 38.626 38.460 -0.418 0.000 1.289 355 Y HN 0.013 nan 8.280 nan 0.000 0.548 356 F N 0.972 120.586 119.950 -0.560 0.000 2.789 356 F HA 0.065 4.592 4.527 0.001 0.000 0.300 356 F C 0.462 175.882 175.800 -0.633 0.000 1.132 356 F CA -0.366 57.273 58.000 -0.602 0.000 1.404 356 F CB -0.517 38.055 39.000 -0.713 0.000 1.114 356 F HN 0.238 nan 8.300 nan 0.000 0.584 357 L N 1.211 122.049 121.223 -0.643 0.000 2.361 357 L HA 0.162 4.503 4.340 0.001 0.000 0.278 357 L C 0.658 177.489 176.870 -0.065 0.000 1.113 357 L CA 0.049 54.676 54.840 -0.355 0.000 0.849 357 L CB 0.459 42.259 42.059 -0.431 0.000 1.155 357 L HN 0.075 nan 8.230 nan 0.000 0.452 358 Q N 5.260 125.075 119.800 0.023 0.000 2.337 358 Q HA 0.169 4.509 4.340 0.001 0.000 0.255 358 Q C -0.722 175.312 176.000 0.057 0.000 1.205 358 Q CA -0.151 55.679 55.803 0.045 0.000 0.902 358 Q CB 0.095 28.866 28.738 0.055 0.000 1.433 358 Q HN 0.692 nan 8.270 nan 0.000 0.471 359 L N 3.476 124.737 121.223 0.063 0.000 2.483 359 L HA 0.155 4.496 4.340 0.001 0.000 0.276 359 L C 0.253 177.177 176.870 0.091 0.000 1.213 359 L CA 0.607 55.497 54.840 0.083 0.000 0.843 359 L CB 0.309 42.423 42.059 0.092 0.000 1.107 359 L HN 0.490 nan 8.230 nan 0.000 0.487 360 K N 2.381 122.839 120.400 0.096 0.000 2.468 360 K HA 0.336 4.657 4.320 0.001 0.000 0.252 360 K C -1.563 175.122 176.600 0.142 0.000 0.932 360 K CA -0.694 55.652 56.287 0.098 0.000 0.794 360 K CB 1.728 34.257 32.500 0.048 0.000 1.241 360 K HN 0.306 nan 8.250 nan 0.000 0.428 361 F N 4.337 124.284 119.950 -0.005 0.000 2.350 361 F HA 0.367 4.895 4.527 0.001 0.000 0.365 361 F C -1.068 174.677 175.800 -0.091 0.000 1.122 361 F CA -0.634 57.341 58.000 -0.042 0.000 1.139 361 F CB 0.721 39.719 39.000 -0.003 0.000 1.220 361 F HN 0.529 nan 8.300 nan 0.000 0.499 362 D N 8.114 128.142 120.400 -0.620 0.000 2.319 362 D HA 0.324 4.965 4.640 0.001 0.000 0.237 362 D C -2.364 173.470 176.300 -0.776 0.000 1.353 362 D CA -1.771 51.808 54.000 -0.701 0.000 0.992 362 D CB 1.938 42.541 40.800 -0.329 0.000 1.368 362 D HN 0.165 nan 8.370 nan 0.000 0.564 363 P HA -0.074 nan 4.420 nan 0.000 0.221 363 P C 0.758 177.378 177.300 -1.133 0.000 1.145 363 P CA 0.825 63.358 63.100 -0.945 0.000 0.795 363 P CB 0.357 31.364 31.700 -1.154 0.000 0.775 364 E N -0.618 118.873 120.200 -1.183 0.000 2.265 364 E HA -0.116 4.235 4.350 0.001 0.000 0.196 364 E C 1.736 177.942 176.600 -0.656 0.000 0.996 364 E CA 0.541 56.162 56.400 -1.298 0.000 0.832 364 E CB -0.573 28.816 29.700 -0.520 0.000 0.756 364 E HN 0.307 nan 8.360 nan 0.000 0.491 365 L N 0.279 121.234 121.223 -0.447 0.000 2.131 365 L HA -0.184 4.157 4.340 0.001 0.000 0.210 365 L C 2.032 178.799 176.870 -0.171 0.000 1.092 365 L CA 0.937 55.638 54.840 -0.232 0.000 0.759 365 L CB -0.181 41.764 42.059 -0.189 0.000 0.903 365 L HN 0.194 nan 8.230 nan 0.000 0.435 366 L N -1.802 119.288 121.223 -0.221 0.000 2.592 366 L HA 0.040 4.381 4.340 0.001 0.000 0.227 366 L C 1.768 178.772 176.870 0.223 0.000 1.127 366 L CA 0.018 54.809 54.840 -0.083 0.000 0.884 366 L CB -0.190 41.695 42.059 -0.290 0.000 1.065 366 L HN 0.213 nan 8.230 nan 0.000 0.457 367 F N 0.055 120.035 119.950 0.050 0.000 2.771 367 F HA -0.024 4.504 4.527 0.001 0.000 0.299 367 F C 1.973 177.824 175.800 0.086 0.000 1.177 367 F CA 0.229 58.291 58.000 0.103 0.000 1.450 367 F CB 0.104 39.163 39.000 0.098 0.000 1.114 367 F HN 0.194 nan 8.300 nan 0.000 0.587 368 G N -0.364 108.575 108.800 0.231 0.000 3.062 368 G HA2 0.468 4.429 3.960 0.001 0.000 0.228 368 G HA3 0.468 4.429 3.960 0.001 0.000 0.228 368 G C 0.160 175.127 174.900 0.112 0.000 1.094 368 G CA 0.396 45.583 45.100 0.145 0.000 0.782 368 G HN 0.236 nan 8.290 nan 0.000 0.541 369 A N -0.262 122.633 122.820 0.124 0.000 2.387 369 A HA 0.754 5.075 4.320 0.001 0.000 0.303 369 A C -0.553 177.111 177.584 0.134 0.000 1.145 369 A CA -0.675 51.424 52.037 0.103 0.000 0.801 369 A CB 0.944 19.990 19.000 0.078 0.000 1.342 369 A HN 0.147 nan 8.150 nan 0.000 0.440 370 Q N 0.152 120.018 119.800 0.110 0.000 2.324 370 Q HA 0.456 4.796 4.340 0.001 0.000 0.257 370 Q C -1.672 174.408 176.000 0.133 0.000 1.080 370 Q CA 0.634 56.497 55.803 0.099 0.000 0.907 370 Q CB 0.371 29.140 28.738 0.052 0.000 1.274 370 Q HN 0.453 nan 8.270 nan 0.000 0.434 371 F N 2.029 121.924 119.950 -0.092 0.000 2.607 371 F HA 0.214 4.742 4.527 0.001 0.000 0.322 371 F C -1.076 174.507 175.800 -0.361 0.000 1.176 371 F CA -0.813 57.049 58.000 -0.230 0.000 0.977 371 F CB 1.591 40.413 39.000 -0.297 0.000 1.242 371 F HN 0.270 nan 8.300 nan 0.000 0.465 372 Q N 5.969 125.314 119.800 -0.759 0.000 2.314 372 Q HA 0.135 4.476 4.340 0.001 0.000 0.257 372 Q C -1.112 174.493 176.000 -0.658 0.000 0.975 372 Q CA -0.224 55.275 55.803 -0.506 0.000 0.933 372 Q CB 0.918 29.456 28.738 -0.334 0.000 1.195 372 Q HN 0.682 nan 8.270 nan 0.000 0.426 373 Y N 2.378 122.628 120.300 -0.083 0.000 2.724 373 Y HA 0.160 4.711 4.550 0.001 0.000 0.354 373 Y C 0.831 176.703 175.900 -0.047 0.000 1.270 373 Y CA -0.139 57.971 58.100 0.017 0.000 1.902 373 Y CB 0.108 38.619 38.460 0.085 0.000 1.981 373 Y HN 0.321 nan 8.280 nan 0.000 0.428 374 R N 1.709 122.187 120.500 -0.036 0.000 2.626 374 R HA 0.504 4.845 4.340 0.001 0.000 0.274 374 R C -2.046 174.208 176.300 -0.077 0.000 1.031 374 R CA -0.750 55.324 56.100 -0.043 0.000 0.898 374 R CB 1.463 31.730 30.300 -0.055 0.000 1.222 374 R HN 0.394 nan 8.270 nan 0.000 0.455 375 N N 1.210 119.877 118.700 -0.056 0.000 2.264 375 N HA 0.436 5.177 4.740 0.001 0.000 0.288 375 N C -2.024 173.448 175.510 -0.063 0.000 1.094 375 N CA -0.733 52.289 53.050 -0.047 0.000 0.817 375 N CB 1.961 40.439 38.487 -0.015 0.000 1.604 375 N HN 0.547 nan 8.380 nan 0.000 0.473 376 R N 3.097 123.573 120.500 -0.040 0.000 2.502 376 R HA 0.505 4.846 4.340 0.001 0.000 0.300 376 R C -0.971 175.447 176.300 0.196 0.000 0.984 376 R CA -0.578 55.497 56.100 -0.042 0.000 0.882 376 R CB 0.553 30.756 30.300 -0.162 0.000 1.180 376 R HN 0.526 nan 8.270 nan 0.000 0.444 377 I N 3.390 124.256 120.570 0.493 0.000 2.556 377 I HA 0.259 4.430 4.170 0.001 0.000 0.284 377 I C 0.566 176.922 176.117 0.399 0.000 1.114 377 I CA -0.094 61.453 61.300 0.410 0.000 1.418 377 I CB 0.696 38.948 38.000 0.421 0.000 1.394 377 I HN 0.691 nan 8.210 nan 0.000 0.552 378 A N 7.029 129.973 122.820 0.207 0.000 2.303 378 A HA 0.492 4.813 4.320 0.001 0.000 0.317 378 A C 1.189 178.712 177.584 -0.101 0.000 1.149 378 A CA -0.734 51.341 52.037 0.064 0.000 0.822 378 A CB 0.979 19.954 19.000 -0.042 0.000 1.131 378 A HN 0.849 nan 8.150 nan 0.000 0.493 379 M N 0.360 119.880 119.600 -0.134 0.000 2.202 379 M HA -0.152 4.329 4.480 0.001 0.000 0.262 379 M C 0.904 177.022 176.300 -0.304 0.000 1.063 379 M CA 2.348 57.459 55.300 -0.314 0.000 1.097 379 M CB -0.783 31.724 32.600 -0.155 0.000 1.382 379 M HN 0.725 nan 8.290 nan 0.000 0.413 380 E N 0.800 120.827 120.200 -0.289 0.000 2.107 380 E HA -0.082 4.269 4.350 0.001 0.000 0.191 380 E C 1.703 178.212 176.600 -0.152 0.000 0.982 380 E CA 1.204 57.385 56.400 -0.366 0.000 0.809 380 E CB -0.418 29.008 29.700 -0.457 0.000 0.756 380 E HN 0.512 nan 8.360 nan 0.000 0.459 381 F N 2.065 121.643 119.950 -0.619 0.000 2.146 381 F HA -0.150 4.378 4.527 0.001 0.000 0.298 381 F C 1.933 177.631 175.800 -0.170 0.000 1.096 381 F CA 1.145 58.900 58.000 -0.409 0.000 1.275 381 F CB -0.450 38.254 39.000 -0.493 0.000 1.008 381 F HN 0.032 nan 8.300 nan 0.000 0.480 382 N N 0.412 118.866 118.700 -0.410 0.000 2.025 382 N HA -0.224 4.517 4.740 0.001 0.000 0.194 382 N C 1.835 177.058 175.510 -0.479 0.000 1.044 382 N CA 1.833 54.255 53.050 -1.045 0.000 0.851 382 N CB -0.375 37.589 38.487 -0.872 0.000 1.036 382 N HN 0.393 nan 8.380 nan 0.000 0.422 383 Q N 0.656 120.347 119.800 -0.181 0.000 2.096 383 Q HA -0.161 4.180 4.340 0.001 0.000 0.204 383 Q C 2.269 178.402 176.000 0.222 0.000 0.982 383 Q CA 1.062 56.861 55.803 -0.006 0.000 0.850 383 Q CB -0.363 28.431 28.738 0.092 0.000 0.901 383 Q HN 0.532 nan 8.270 nan 0.000 0.422 384 L N -1.322 120.066 121.223 0.274 0.000 2.291 384 L HA -0.083 4.258 4.340 0.001 0.000 0.214 384 L C 1.659 178.632 176.870 0.172 0.000 1.120 384 L CA 1.000 56.010 54.840 0.284 0.000 0.799 384 L CB -0.163 42.062 42.059 0.277 0.000 0.925 384 L HN 0.096 nan 8.230 nan 0.000 0.446 385 Y N -0.491 119.686 120.300 -0.205 0.000 2.490 385 Y HA 0.083 4.633 4.550 0.001 0.000 0.281 385 Y C 0.653 176.248 175.900 -0.508 0.000 1.174 385 Y CA -0.352 57.335 58.100 -0.687 0.000 1.295 385 Y CB 0.095 38.059 38.460 -0.827 0.000 1.062 385 Y HN 0.220 nan 8.280 nan 0.000 0.522 386 H N 0.168 119.286 119.070 0.079 0.000 3.392 386 H HA -0.095 4.461 4.556 0.001 0.000 0.253 386 H C -0.542 175.178 175.328 0.654 0.000 1.682 386 H CA 0.015 56.247 56.048 0.307 0.000 1.535 386 H CB -0.423 29.398 29.762 0.099 0.000 1.823 386 H HN 0.409 nan 8.280 nan 0.000 0.576 387 W N 1.672 123.145 121.300 0.288 0.000 2.708 387 W HA 0.108 4.769 4.660 0.001 0.000 0.440 387 W C 0.723 177.325 176.519 0.138 0.000 0.688 387 W CA -1.006 56.486 57.345 0.246 0.000 2.213 387 W CB -0.952 28.667 29.460 0.266 0.000 1.209 387 W HN 0.614 nan 8.180 nan 0.000 0.783 388 H N -0.040 119.264 119.070 0.391 0.000 2.521 388 H HA -0.065 4.492 4.556 0.001 0.000 0.286 388 H C -0.584 174.871 175.328 0.212 0.000 1.034 388 H CA 1.032 57.239 56.048 0.265 0.000 1.278 388 H CB -1.240 28.654 29.762 0.220 0.000 1.386 388 H HN 0.040 nan 8.280 nan 0.000 0.567 389 P HA -0.123 nan 4.420 nan 0.000 0.222 389 P C 1.142 178.534 177.300 0.154 0.000 1.147 389 P CA 0.969 64.178 63.100 0.182 0.000 0.790 389 P CB 0.030 31.796 31.700 0.110 0.000 0.780 390 L N -2.482 118.831 121.223 0.150 0.000 2.127 390 L HA -0.113 4.228 4.340 0.001 0.000 0.211 390 L C 1.337 178.258 176.870 0.085 0.000 1.089 390 L CA 0.762 55.666 54.840 0.107 0.000 0.757 390 L CB -0.682 41.458 42.059 0.136 0.000 0.899 390 L HN 0.076 nan 8.230 nan 0.000 0.434 391 M N 1.191 120.847 119.600 0.094 0.000 2.219 391 M HA 0.188 4.669 4.480 0.001 0.000 0.353 391 M C -1.917 174.379 176.300 -0.006 0.000 1.304 391 M CA -1.979 53.337 55.300 0.027 0.000 1.115 391 M CB 0.288 32.991 32.600 0.171 0.000 1.664 391 M HN -0.183 nan 8.290 nan 0.000 0.459 392 P HA 0.110 nan 4.420 nan 0.000 0.277 392 P C 0.016 177.092 177.300 -0.374 0.000 1.276 392 P CA -0.185 62.589 63.100 -0.543 0.000 0.788 392 P CB 0.865 32.093 31.700 -0.787 0.000 1.114 393 D N -1.333 118.788 120.400 -0.465 0.000 2.144 393 D HA -0.037 4.604 4.640 0.001 0.000 0.200 393 D C 0.843 177.095 176.300 -0.081 0.000 0.978 393 D CA 1.511 55.419 54.000 -0.152 0.000 0.833 393 D CB -0.014 40.687 40.800 -0.165 0.000 0.961 393 D HN 0.501 nan 8.370 nan 0.000 0.470 394 S N -1.470 114.008 115.700 -0.371 0.000 2.615 394 S HA 0.567 5.037 4.470 0.001 0.000 0.269 394 S C -1.255 172.980 174.600 -0.607 0.000 1.161 394 S CA -1.024 56.957 58.200 -0.365 0.000 0.817 394 S CB 0.900 64.058 63.200 -0.070 0.000 1.131 394 S HN -0.095 nan 8.310 nan 0.000 0.467 395 F N 1.067 120.898 119.950 -0.197 0.000 2.388 395 F HA 0.627 5.155 4.527 0.001 0.000 0.358 395 F C 0.641 176.452 175.800 0.019 0.000 1.122 395 F CA -0.636 57.256 58.000 -0.179 0.000 1.056 395 F CB 1.486 40.189 39.000 -0.497 0.000 1.155 395 F HN 0.649 nan 8.300 nan 0.000 0.461 396 R N 2.636 123.224 120.500 0.146 0.000 2.229 396 R HA 0.664 5.005 4.340 0.001 0.000 0.328 396 R C -1.622 174.740 176.300 0.102 0.000 1.009 396 R CA -0.338 55.817 56.100 0.092 0.000 0.864 396 R CB 0.973 31.282 30.300 0.016 0.000 1.085 396 R HN 0.561 nan 8.270 nan 0.000 0.453 397 V N 6.312 126.268 119.914 0.070 0.000 2.266 397 V HA 0.406 4.526 4.120 0.001 0.000 0.266 397 V C 0.990 177.037 176.094 -0.077 0.000 1.036 397 V CA 0.252 62.506 62.300 -0.077 0.000 0.828 397 V CB 0.117 31.803 31.823 -0.227 0.000 1.081 397 V HN 1.172 nan 8.190 nan 0.000 0.449 398 G N 6.178 114.948 108.800 -0.050 0.000 2.536 398 G HA2 -0.216 3.745 3.960 0.001 0.000 0.280 398 G HA3 -0.216 3.745 3.960 0.001 0.000 0.280 398 G C -0.876 174.020 174.900 -0.006 0.000 1.152 398 G CA 0.323 45.414 45.100 -0.015 0.000 0.970 398 G HN 0.539 nan 8.290 nan 0.000 0.549 399 P HA 0.169 nan 4.420 nan 0.000 0.245 399 P C 0.313 177.591 177.300 -0.036 0.000 1.212 399 P CA 0.838 63.934 63.100 -0.006 0.000 0.774 399 P CB 0.306 32.012 31.700 0.010 0.000 0.999 400 Q N 0.907 120.674 119.800 -0.055 0.000 2.241 400 Q HA 0.283 4.624 4.340 0.001 0.000 0.254 400 Q C -0.755 175.096 176.000 -0.248 0.000 0.917 400 Q CA 0.048 55.730 55.803 -0.202 0.000 0.919 400 Q CB 1.350 29.919 28.738 -0.282 0.000 1.237 400 Q HN -0.048 nan 8.270 nan 0.000 0.434 401 D N 2.217 122.438 120.400 -0.298 0.000 2.461 401 D HA 0.217 4.858 4.640 0.001 0.000 0.240 401 D C -1.348 174.845 176.300 -0.179 0.000 1.094 401 D CA -0.363 53.539 54.000 -0.164 0.000 0.868 401 D CB 0.116 40.868 40.800 -0.079 0.000 1.062 401 D HN 0.221 nan 8.370 nan 0.000 0.530 402 Y N 1.661 122.043 120.300 0.136 0.000 2.327 402 Y HA 0.261 4.812 4.550 0.001 0.000 0.336 402 Y C 1.389 177.409 175.900 0.200 0.000 1.035 402 Y CA -0.738 57.474 58.100 0.188 0.000 1.165 402 Y CB 1.110 39.730 38.460 0.267 0.000 1.181 402 Y HN 0.244 nan 8.280 nan 0.000 0.494 403 S N 1.567 117.464 115.700 0.329 0.000 2.634 403 S HA 0.085 4.556 4.470 0.001 0.000 0.261 403 S C 0.837 175.626 174.600 0.315 0.000 1.271 403 S CA -0.475 57.896 58.200 0.285 0.000 0.985 403 S CB 0.332 63.679 63.200 0.245 0.000 0.968 403 S HN 0.684 nan 8.310 nan 0.000 0.568 404 Y N 1.565 121.910 120.300 0.074 0.000 2.165 404 Y HA -0.159 4.392 4.550 0.001 0.000 0.286 404 Y C 2.800 178.713 175.900 0.022 0.000 1.155 404 Y CA 1.965 60.054 58.100 -0.018 0.000 1.164 404 Y CB -0.220 37.849 38.460 -0.652 0.000 0.978 404 Y HN 0.742 nan 8.280 nan 0.000 0.513 405 E N 0.065 120.384 120.200 0.199 0.000 2.268 405 E HA -0.203 4.147 4.350 0.001 0.000 0.195 405 E C 1.578 178.289 176.600 0.185 0.000 0.995 405 E CA 1.095 57.614 56.400 0.198 0.000 0.836 405 E CB -0.498 29.332 29.700 0.216 0.000 0.763 405 E HN 0.629 nan 8.360 nan 0.000 0.491 406 Q N -0.685 119.243 119.800 0.213 0.000 2.212 406 Q HA 0.054 4.395 4.340 0.001 0.000 0.199 406 Q C 1.654 177.720 176.000 0.110 0.000 0.950 406 Q CA 0.666 56.594 55.803 0.207 0.000 0.863 406 Q CB -0.009 28.941 28.738 0.353 0.000 0.944 406 Q HN 0.219 nan 8.270 nan 0.000 0.465 407 F N 0.786 120.689 119.950 -0.077 0.000 2.188 407 F HA 0.056 4.584 4.527 0.001 0.000 0.289 407 F C 0.421 176.026 175.800 -0.324 0.000 1.082 407 F CA 0.011 57.838 58.000 -0.289 0.000 1.282 407 F CB 0.179 38.865 39.000 -0.522 0.000 1.060 407 F HN -0.070 nan 8.300 nan 0.000 0.493 408 L N 1.840 122.957 121.223 -0.178 0.000 2.559 408 L HA -0.043 4.298 4.340 0.001 0.000 0.274 408 L C -0.136 176.454 176.870 -0.467 0.000 1.205 408 L CA 0.976 55.516 54.840 -0.500 0.000 0.907 408 L CB -1.030 40.697 42.059 -0.553 0.000 1.153 408 L HN 0.419 nan 8.230 nan 0.000 0.490 409 F N 0.595 120.472 119.950 -0.121 0.000 3.034 409 F HA -0.304 4.223 4.527 0.001 0.000 0.286 409 F C 1.058 176.791 175.800 -0.112 0.000 0.804 409 F CA 0.209 58.149 58.000 -0.099 0.000 1.161 409 F CB -1.593 37.394 39.000 -0.022 0.000 1.317 409 F HN 0.676 nan 8.300 nan 0.000 0.453 410 N N 1.684 120.306 118.700 -0.130 0.000 2.475 410 N HA 0.090 4.831 4.740 0.001 0.000 0.267 410 N C 1.176 176.622 175.510 -0.107 0.000 1.169 410 N CA 1.086 54.053 53.050 -0.140 0.000 0.947 410 N CB 1.202 39.525 38.487 -0.273 0.000 1.061 410 N HN 0.331 nan 8.380 nan 0.000 0.466 411 T N -1.070 113.464 114.554 -0.034 0.000 3.037 411 T HA -0.033 4.318 4.350 0.001 0.000 0.252 411 T C 1.638 176.297 174.700 -0.069 0.000 1.073 411 T CA 0.667 62.765 62.100 -0.004 0.000 1.091 411 T CB -0.041 68.851 68.868 0.041 0.000 0.935 411 T HN 0.483 nan 8.240 nan 0.000 0.488 412 S N 0.474 116.118 115.700 -0.094 0.000 2.502 412 S HA 0.271 4.741 4.470 0.001 0.000 0.215 412 S C 1.976 176.492 174.600 -0.140 0.000 1.009 412 S CA -0.154 57.975 58.200 -0.117 0.000 0.908 412 S CB -0.395 62.748 63.200 -0.095 0.000 0.801 412 S HN 0.311 nan 8.310 nan 0.000 0.505 413 M N 0.988 120.499 119.600 -0.148 0.000 2.106 413 M HA -0.078 4.403 4.480 0.001 0.000 0.259 413 M C 2.003 178.286 176.300 -0.029 0.000 1.068 413 M CA 1.587 56.823 55.300 -0.106 0.000 1.100 413 M CB -0.292 32.169 32.600 -0.231 0.000 1.351 413 M HN 0.456 nan 8.290 nan 0.000 0.404 414 L N -0.114 121.041 121.223 -0.113 0.000 2.017 414 L HA -0.117 4.224 4.340 0.001 0.000 0.208 414 L C 2.042 178.840 176.870 -0.118 0.000 1.073 414 L CA 1.667 56.453 54.840 -0.090 0.000 0.745 414 L CB -0.717 41.272 42.059 -0.117 0.000 0.894 414 L HN 0.180 nan 8.230 nan 0.000 0.432 415 V N -0.361 119.396 119.914 -0.260 0.000 2.591 415 V HA -0.181 3.940 4.120 0.001 0.000 0.249 415 V C 2.216 178.207 176.094 -0.171 0.000 1.053 415 V CA 1.507 63.592 62.300 -0.358 0.000 1.068 415 V CB -0.809 30.755 31.823 -0.431 0.000 0.689 415 V HN 0.409 nan 8.190 nan 0.000 0.462 416 D N -0.571 119.728 120.400 -0.169 0.000 2.117 416 D HA -0.167 4.474 4.640 0.001 0.000 0.197 416 D C 2.002 178.140 176.300 -0.270 0.000 0.987 416 D CA 1.802 55.658 54.000 -0.239 0.000 0.829 416 D CB -0.105 40.495 40.800 -0.334 0.000 0.961 416 D HN 0.572 nan 8.370 nan 0.000 0.460 417 Y N -0.051 120.218 120.300 -0.052 0.000 2.343 417 Y HA 0.272 4.823 4.550 0.001 0.000 0.294 417 Y C 1.637 177.529 175.900 -0.014 0.000 1.122 417 Y CA 0.603 58.683 58.100 -0.034 0.000 1.173 417 Y CB 0.428 38.853 38.460 -0.059 0.000 1.077 417 Y HN 0.026 nan 8.280 nan 0.000 0.542 418 G N -0.237 108.661 108.800 0.163 0.000 2.712 418 G HA2 -0.211 3.749 3.960 0.001 0.000 0.683 418 G HA3 -0.211 3.749 3.960 0.001 0.000 0.683 418 G C 0.358 175.314 174.900 0.093 0.000 1.320 418 G CA -0.469 44.736 45.100 0.176 0.000 0.847 418 G HN 0.005 nan 8.290 nan 0.000 0.553 419 V N 0.529 120.474 119.914 0.051 0.000 2.244 419 V HA -0.113 4.008 4.120 0.001 0.000 0.244 419 V C 2.715 178.757 176.094 -0.086 0.000 1.042 419 V CA 3.097 65.368 62.300 -0.049 0.000 1.006 419 V CB -0.982 30.779 31.823 -0.103 0.000 0.641 419 V HN 0.844 nan 8.190 nan 0.000 0.446 420 E N 0.875 121.037 120.200 -0.064 0.000 2.068 420 E HA -0.291 4.059 4.350 0.001 0.000 0.207 420 E C 2.220 178.778 176.600 -0.070 0.000 1.032 420 E CA 2.043 58.405 56.400 -0.063 0.000 0.839 420 E CB -0.695 28.984 29.700 -0.035 0.000 0.758 420 E HN 0.585 nan 8.360 nan 0.000 0.457 421 A N 0.062 122.855 122.820 -0.045 0.000 1.972 421 A HA -0.110 4.211 4.320 0.001 0.000 0.219 421 A C 2.143 179.605 177.584 -0.204 0.000 1.169 421 A CA 1.184 53.184 52.037 -0.061 0.000 0.635 421 A CB -0.428 18.607 19.000 0.058 0.000 0.810 421 A HN 0.197 nan 8.150 nan 0.000 0.446 422 L N -0.961 120.100 121.223 -0.271 0.000 2.375 422 L HA -0.021 4.319 4.340 0.001 0.000 0.215 422 L C 2.272 178.805 176.870 -0.562 0.000 1.108 422 L CA 0.189 54.689 54.840 -0.566 0.000 0.830 422 L CB -0.149 41.587 42.059 -0.539 0.000 0.959 422 L HN 0.199 nan 8.230 nan 0.000 0.457 423 V N -0.279 119.476 119.914 -0.265 0.000 2.358 423 V HA -0.290 3.831 4.120 0.001 0.000 0.246 423 V C 2.256 178.311 176.094 -0.065 0.000 1.047 423 V CA 1.973 64.194 62.300 -0.132 0.000 1.035 423 V CB -0.399 31.344 31.823 -0.133 0.000 0.658 423 V HN 0.505 nan 8.190 nan 0.000 0.452 424 D N 0.168 120.523 120.400 -0.075 0.000 2.117 424 D HA -0.170 4.471 4.640 0.001 0.000 0.197 424 D C 2.156 178.460 176.300 0.006 0.000 0.987 424 D CA 1.637 55.642 54.000 0.007 0.000 0.829 424 D CB 0.264 41.059 40.800 -0.007 0.000 0.961 424 D HN 0.412 nan 8.370 nan 0.000 0.460 425 A N 0.250 122.990 122.820 -0.133 0.000 1.873 425 A HA -0.141 4.180 4.320 0.001 0.000 0.215 425 A C 1.933 179.561 177.584 0.074 0.000 1.186 425 A CA 0.996 52.954 52.037 -0.131 0.000 0.616 425 A CB -0.893 17.894 19.000 -0.356 0.000 0.823 425 A HN 0.209 nan 8.150 nan 0.000 0.442 426 F N 0.655 120.691 119.950 0.144 0.000 2.325 426 F HA 0.018 4.546 4.527 0.001 0.000 0.299 426 F C 2.547 178.474 175.800 0.212 0.000 1.090 426 F CA 0.797 58.937 58.000 0.233 0.000 1.392 426 F CB -0.870 38.349 39.000 0.365 0.000 1.053 426 F HN 0.110 nan 8.300 nan 0.000 0.521 427 S N -0.565 115.340 115.700 0.342 0.000 2.489 427 S HA -0.013 4.458 4.470 0.001 0.000 0.228 427 S C 1.930 176.736 174.600 0.342 0.000 0.995 427 S CA 0.462 58.844 58.200 0.303 0.000 0.934 427 S CB -0.060 63.256 63.200 0.193 0.000 0.771 427 S HN 0.346 nan 8.310 nan 0.000 0.522 428 R N 0.414 121.063 120.500 0.248 0.000 2.265 428 R HA 0.222 4.562 4.340 0.001 0.000 0.194 428 R C 0.829 177.201 176.300 0.119 0.000 0.931 428 R CA 0.074 56.258 56.100 0.139 0.000 1.032 428 R CB 0.278 30.613 30.300 0.059 0.000 0.980 428 R HN 0.320 nan 8.270 nan 0.000 0.497 429 Q N 1.831 121.727 119.800 0.159 0.000 2.274 429 Q HA 0.251 4.591 4.340 0.001 0.000 0.256 429 Q C -2.475 173.597 176.000 0.121 0.000 0.927 429 Q CA -2.419 53.455 55.803 0.118 0.000 0.939 429 Q CB 1.483 30.293 28.738 0.119 0.000 1.201 429 Q HN -0.146 nan 8.270 nan 0.000 0.426 430 P HA 0.061 nan 4.420 nan 0.000 0.271 430 P C -1.454 175.952 177.300 0.176 0.000 1.218 430 P CA 0.035 63.222 63.100 0.144 0.000 0.780 430 P CB 0.926 32.738 31.700 0.186 0.000 0.901 431 A N 2.484 125.388 122.820 0.140 0.000 2.281 431 A HA 0.696 5.017 4.320 0.001 0.000 0.329 431 A C 0.516 178.197 177.584 0.161 0.000 1.122 431 A CA -0.340 51.777 52.037 0.134 0.000 0.850 431 A CB 0.294 19.325 19.000 0.053 0.000 1.207 431 A HN 0.563 nan 8.150 nan 0.000 0.495 432 G N 0.142 109.057 108.800 0.192 0.000 2.483 432 G HA2 0.412 4.373 3.960 0.001 0.000 0.248 432 G HA3 0.412 4.373 3.960 0.001 0.000 0.248 432 G C 0.234 175.065 174.900 -0.115 0.000 1.248 432 G CA -0.528 44.591 45.100 0.033 0.000 0.838 432 G HN 0.784 nan 8.290 nan 0.000 0.566 433 R N 2.149 122.519 120.500 -0.216 0.000 2.449 433 R HA 0.071 4.412 4.340 0.001 0.000 0.296 433 R C 1.008 177.212 176.300 -0.160 0.000 1.047 433 R CA -0.236 55.732 56.100 -0.220 0.000 1.018 433 R CB 0.244 30.408 30.300 -0.227 0.000 0.962 433 R HN 0.582 nan 8.270 nan 0.000 0.428 434 I N 3.068 123.525 120.570 -0.187 0.000 2.193 434 I HA -0.103 4.068 4.170 0.001 0.000 0.240 434 I C 1.612 177.692 176.117 -0.062 0.000 1.084 434 I CA 1.368 62.601 61.300 -0.112 0.000 1.365 434 I CB -0.362 37.522 38.000 -0.194 0.000 1.064 434 I HN 0.697 nan 8.210 nan 0.000 0.410 435 G N -1.280 107.489 108.800 -0.052 0.000 2.525 435 G HA2 0.425 4.386 3.960 0.001 0.000 0.287 435 G HA3 0.425 4.386 3.960 0.001 0.000 0.287 435 G C 0.859 175.706 174.900 -0.088 0.000 1.350 435 G CA 0.175 45.242 45.100 -0.056 0.000 1.039 435 G HN 0.512 nan 8.290 nan 0.000 0.513 436 G N -2.113 106.628 108.800 -0.098 0.000 2.336 436 G HA2 0.349 4.310 3.960 0.001 0.000 0.233 436 G HA3 0.349 4.310 3.960 0.001 0.000 0.233 436 G C 1.269 176.121 174.900 -0.080 0.000 1.053 436 G CA 0.894 45.938 45.100 -0.094 0.000 0.625 436 G HN 2.859 nan 8.290 nan 0.000 0.511 437 G N -1.034 107.723 108.800 -0.071 0.000 2.555 437 G HA2 0.433 4.394 3.960 0.001 0.000 0.686 437 G HA3 0.433 4.394 3.960 0.001 0.000 0.686 437 G C 0.104 174.989 174.900 -0.025 0.000 1.275 437 G CA 0.342 45.419 45.100 -0.038 0.000 0.871 437 G HN 1.666 nan 8.290 nan 0.000 0.603 438 R N -1.007 119.493 120.500 -0.001 0.000 3.251 438 R HA -0.213 4.128 4.340 0.001 0.000 0.249 438 R C 0.409 176.706 176.300 -0.005 0.000 0.949 438 R CA 1.120 57.216 56.100 -0.008 0.000 0.645 438 R CB -1.188 29.100 30.300 -0.020 0.000 1.065 438 R HN 0.708 nan 8.270 nan 0.000 0.452 439 N N 0.045 118.752 118.700 0.012 0.000 2.390 439 N HA 0.266 5.007 4.740 0.001 0.000 0.259 439 N C -1.052 174.510 175.510 0.086 0.000 1.395 439 N CA -0.201 52.868 53.050 0.032 0.000 0.852 439 N CB 0.837 39.312 38.487 -0.020 0.000 1.371 439 N HN 0.264 nan 8.380 nan 0.000 0.491 440 I N 0.618 121.240 120.570 0.087 0.000 2.339 440 I HA 0.221 4.392 4.170 0.001 0.000 0.290 440 I C 0.037 176.206 176.117 0.087 0.000 0.994 440 I CA -0.936 60.432 61.300 0.112 0.000 1.191 440 I CB 1.268 39.336 38.000 0.112 0.000 1.343 440 I HN 0.077 nan 8.210 nan 0.000 0.458 441 D N 5.035 125.486 120.400 0.085 0.000 2.472 441 D HA -0.103 4.538 4.640 0.001 0.000 0.237 441 D C 1.769 178.015 176.300 -0.089 0.000 1.141 441 D CA 0.280 54.280 54.000 0.000 0.000 0.875 441 D CB 0.727 41.485 40.800 -0.070 0.000 1.192 441 D HN 0.578 nan 8.370 nan 0.000 0.450 442 H N 2.890 121.898 119.070 -0.103 0.000 2.457 442 H HA -0.169 4.388 4.556 0.001 0.000 0.297 442 H C 1.117 176.353 175.328 -0.153 0.000 1.092 442 H CA 1.689 57.653 56.048 -0.140 0.000 1.309 442 H CB -0.471 29.175 29.762 -0.194 0.000 1.382 442 H HN 0.658 nan 8.280 nan 0.000 0.535 443 H N 1.671 120.297 119.070 -0.742 0.000 2.352 443 H HA -0.036 4.521 4.556 0.001 0.000 0.299 443 H C 2.166 177.456 175.328 -0.064 0.000 1.097 443 H CA 2.161 57.928 56.048 -0.468 0.000 1.311 443 H CB 0.058 29.291 29.762 -0.882 0.000 1.377 443 H HN 0.606 nan 8.280 nan 0.000 0.504 444 I N -1.882 118.700 120.570 0.020 0.000 3.927 444 I HA 0.141 4.312 4.170 0.001 0.000 0.332 444 I C 1.027 177.050 176.117 -0.158 0.000 1.485 444 I CA -0.002 61.293 61.300 -0.008 0.000 1.131 444 I CB 0.293 38.371 38.000 0.129 0.000 1.092 444 I HN 0.056 nan 8.210 nan 0.000 0.410 445 L N 2.301 123.504 121.223 -0.033 0.000 2.191 445 L HA -0.168 4.173 4.340 0.001 0.000 0.212 445 L C 2.545 179.385 176.870 -0.049 0.000 1.103 445 L CA 2.289 57.115 54.840 -0.023 0.000 0.769 445 L CB -0.839 41.240 42.059 0.034 0.000 0.908 445 L HN 0.627 nan 8.230 nan 0.000 0.438 446 H N -3.558 115.514 119.070 0.004 0.000 2.456 446 H HA -0.086 4.471 4.556 0.001 0.000 0.296 446 H C 1.845 177.158 175.328 -0.025 0.000 1.079 446 H CA 1.379 57.428 56.048 0.003 0.000 1.322 446 H CB -1.073 28.702 29.762 0.022 0.000 1.388 446 H HN 0.164 nan 8.280 nan 0.000 0.538 447 V N 1.374 120.926 119.914 -0.604 0.000 2.261 447 V HA -0.280 3.841 4.120 0.001 0.000 0.246 447 V C 2.899 178.821 176.094 -0.286 0.000 1.047 447 V CA 1.888 63.925 62.300 -0.437 0.000 1.015 447 V CB -1.263 30.167 31.823 -0.656 0.000 0.642 447 V HN 0.770 nan 8.190 nan 0.000 0.446 448 A N -0.273 122.410 122.820 -0.228 0.000 1.972 448 A HA -0.149 4.172 4.320 0.001 0.000 0.219 448 A C 2.383 179.947 177.584 -0.034 0.000 1.169 448 A CA 2.003 53.994 52.037 -0.076 0.000 0.635 448 A CB -0.657 18.399 19.000 0.094 0.000 0.810 448 A HN 0.349 nan 8.150 nan 0.000 0.446 449 V N 0.379 120.282 119.914 -0.018 0.000 2.261 449 V HA -0.277 3.844 4.120 0.001 0.000 0.246 449 V C 2.170 178.258 176.094 -0.010 0.000 1.047 449 V CA 2.503 64.815 62.300 0.020 0.000 1.015 449 V CB -0.917 30.936 31.823 0.049 0.000 0.642 449 V HN 0.524 nan 8.190 nan 0.000 0.446 450 D N -0.254 120.123 120.400 -0.039 0.000 2.144 450 D HA -0.123 4.518 4.640 0.001 0.000 0.200 450 D C 2.091 178.320 176.300 -0.118 0.000 0.978 450 D CA 1.008 54.980 54.000 -0.047 0.000 0.833 450 D CB -0.232 40.558 40.800 -0.018 0.000 0.961 450 D HN 0.230 nan 8.370 nan 0.000 0.470 451 V N 0.764 120.528 119.914 -0.250 0.000 2.282 451 V HA -0.269 3.852 4.120 0.001 0.000 0.249 451 V C 2.301 178.263 176.094 -0.219 0.000 1.057 451 V CA 1.391 63.435 62.300 -0.427 0.000 1.032 451 V CB -0.423 30.857 31.823 -0.905 0.000 0.645 451 V HN 0.275 nan 8.190 nan 0.000 0.447 452 I N -0.637 119.881 120.570 -0.086 0.000 2.252 452 I HA -0.229 3.941 4.170 0.001 0.000 0.245 452 I C 2.531 178.671 176.117 0.039 0.000 1.102 452 I CA 1.560 62.886 61.300 0.043 0.000 1.385 452 I CB -0.470 37.598 38.000 0.114 0.000 1.064 452 I HN 0.259 nan 8.210 nan 0.000 0.414 453 K N 0.410 120.820 120.400 0.016 0.000 2.097 453 K HA -0.214 4.107 4.320 0.001 0.000 0.206 453 K C 2.056 178.666 176.600 0.016 0.000 1.049 453 K CA 1.272 57.574 56.287 0.025 0.000 0.933 453 K CB -0.147 32.366 32.500 0.022 0.000 0.717 453 K HN 0.370 nan 8.250 nan 0.000 0.442 454 E N 0.789 120.980 120.200 -0.015 0.000 2.046 454 E HA -0.163 4.188 4.350 0.001 0.000 0.190 454 E C 2.107 178.705 176.600 -0.002 0.000 0.982 454 E CA 1.005 57.395 56.400 -0.016 0.000 0.800 454 E CB 0.043 29.708 29.700 -0.059 0.000 0.756 454 E HN 0.153 nan 8.360 nan 0.000 0.449 455 S N 0.555 116.251 115.700 -0.007 0.000 2.380 455 S HA -0.251 4.220 4.470 0.001 0.000 0.229 455 S C 1.972 176.611 174.600 0.065 0.000 1.043 455 S CA 1.660 59.881 58.200 0.034 0.000 1.038 455 S CB -0.262 62.989 63.200 0.085 0.000 0.872 455 S HN 0.256 nan 8.310 nan 0.000 0.456 456 R N -0.171 120.372 120.500 0.071 0.000 2.092 456 R HA 0.047 4.388 4.340 0.001 0.000 0.231 456 R C 2.371 178.709 176.300 0.064 0.000 1.119 456 R CA 1.352 57.499 56.100 0.080 0.000 0.970 456 R CB -0.513 29.835 30.300 0.080 0.000 0.864 456 R HN 0.362 nan 8.270 nan 0.000 0.440 457 V N 1.007 120.953 119.914 0.052 0.000 2.307 457 V HA -0.194 3.926 4.120 0.001 0.000 0.245 457 V C 1.923 178.049 176.094 0.054 0.000 1.045 457 V CA 1.347 63.678 62.300 0.052 0.000 1.024 457 V CB -0.319 31.533 31.823 0.049 0.000 0.651 457 V HN 0.194 nan 8.190 nan 0.000 0.449 458 L N -0.045 121.207 121.223 0.047 0.000 2.450 458 L HA 0.004 4.345 4.340 0.001 0.000 0.224 458 L C 1.430 178.332 176.870 0.053 0.000 1.149 458 L CA 1.118 55.984 54.840 0.043 0.000 0.816 458 L CB -1.330 40.741 42.059 0.021 0.000 0.932 458 L HN 0.421 nan 8.230 nan 0.000 0.449 459 R N -1.430 119.109 120.500 0.065 0.000 3.416 459 R HA -0.216 4.125 4.340 0.001 0.000 0.263 459 R C -0.067 176.291 176.300 0.098 0.000 1.053 459 R CA -0.016 56.131 56.100 0.079 0.000 0.705 459 R CB -2.292 28.047 30.300 0.065 0.000 1.124 459 R HN 0.095 nan 8.270 nan 0.000 0.444 460 L N 1.663 122.952 121.223 0.109 0.000 2.499 460 L HA 0.002 4.343 4.340 0.001 0.000 0.273 460 L C 1.284 178.282 176.870 0.213 0.000 1.195 460 L CA 1.024 55.954 54.840 0.150 0.000 0.882 460 L CB 0.637 42.754 42.059 0.096 0.000 1.133 460 L HN 0.151 nan 8.230 nan 0.000 0.483 461 Q N 4.828 124.761 119.800 0.221 0.000 2.524 461 Q HA 0.111 4.452 4.340 0.001 0.000 0.246 461 Q C -2.005 174.120 176.000 0.208 0.000 1.063 461 Q CA -1.454 54.394 55.803 0.075 0.000 0.945 461 Q CB 0.111 28.668 28.738 -0.301 0.000 1.292 461 Q HN 0.450 nan 8.270 nan 0.000 0.518 462 P HA -0.135 nan 4.420 nan 0.000 0.269 462 P C -0.177 177.316 177.300 0.323 0.000 1.211 462 P CA 0.222 63.425 63.100 0.171 0.000 0.781 462 P CB 0.342 32.071 31.700 0.048 0.000 0.877 463 F N 1.992 122.059 119.950 0.196 0.000 2.095 463 F HA -0.236 4.292 4.527 0.001 0.000 0.298 463 F C 1.810 177.720 175.800 0.183 0.000 1.104 463 F CA 1.878 60.023 58.000 0.242 0.000 1.232 463 F CB -0.577 38.466 39.000 0.073 0.000 0.987 463 F HN 0.231 nan 8.300 nan 0.000 0.475 464 N N 0.518 119.276 118.700 0.097 0.000 2.223 464 N HA -0.154 4.587 4.740 0.001 0.000 0.185 464 N C 1.717 177.148 175.510 -0.132 0.000 1.016 464 N CA 1.190 54.207 53.050 -0.056 0.000 0.863 464 N CB -0.384 38.095 38.487 -0.014 0.000 0.983 464 N HN 0.371 nan 8.380 nan 0.000 0.429 465 E N -0.157 119.946 120.200 -0.162 0.000 2.106 465 E HA -0.108 4.243 4.350 0.001 0.000 0.192 465 E C 1.552 177.980 176.600 -0.287 0.000 0.984 465 E CA 0.769 56.975 56.400 -0.322 0.000 0.806 465 E CB -0.328 29.029 29.700 -0.572 0.000 0.750 465 E HN 0.512 nan 8.360 nan 0.000 0.458 466 Y N 0.687 120.939 120.300 -0.081 0.000 2.457 466 Y HA -0.018 4.533 4.550 0.001 0.000 0.292 466 Y C 2.360 178.266 175.900 0.010 0.000 1.125 466 Y CA 0.587 58.720 58.100 0.055 0.000 1.254 466 Y CB 0.117 38.726 38.460 0.248 0.000 1.012 466 Y HN -0.071 nan 8.280 nan 0.000 0.555 467 R N 0.647 121.095 120.500 -0.087 0.000 2.070 467 R HA -0.155 4.185 4.340 0.001 0.000 0.233 467 R C 1.990 178.254 176.300 -0.059 0.000 1.137 467 R CA 1.448 57.454 56.100 -0.157 0.000 0.945 467 R CB -0.534 29.590 30.300 -0.292 0.000 0.845 467 R HN 0.351 nan 8.270 nan 0.000 0.430 468 K N 0.155 120.491 120.400 -0.106 0.000 2.063 468 K HA -0.167 4.154 4.320 0.001 0.000 0.208 468 K C 2.148 178.685 176.600 -0.105 0.000 1.048 468 K CA 1.233 57.449 56.287 -0.118 0.000 0.928 468 K CB -0.175 32.216 32.500 -0.182 0.000 0.713 468 K HN -0.103 nan 8.250 nan 0.000 0.442 469 R N 0.544 120.969 120.500 -0.125 0.000 2.189 469 R HA -0.052 4.289 4.340 0.001 0.000 0.223 469 R C 0.579 176.641 176.300 -0.395 0.000 1.092 469 R CA 1.244 57.195 56.100 -0.248 0.000 0.989 469 R CB -0.116 30.005 30.300 -0.298 0.000 0.876 469 R HN 0.073 nan 8.270 nan 0.000 0.457 470 F N -0.559 119.379 119.950 -0.021 0.000 2.837 470 F HA 0.348 4.876 4.527 0.001 0.000 0.298 470 F C 1.287 177.077 175.800 -0.017 0.000 1.161 470 F CA 0.162 58.150 58.000 -0.020 0.000 1.353 470 F CB 0.805 39.798 39.000 -0.011 0.000 0.951 470 F HN 0.209 nan 8.300 nan 0.000 0.508 471 G N 0.634 109.476 108.800 0.070 0.000 2.153 471 G HA2 -0.331 3.630 3.960 0.001 0.000 0.252 471 G HA3 -0.331 3.630 3.960 0.001 0.000 0.252 471 G C 0.159 175.089 174.900 0.050 0.000 0.994 471 G CA 0.089 45.228 45.100 0.065 0.000 0.698 471 G HN 0.340 nan 8.290 nan 0.000 0.521 472 M N -0.408 119.204 119.600 0.019 0.000 2.598 472 M HA 0.484 4.965 4.480 0.001 0.000 0.317 472 M C 0.607 176.855 176.300 -0.087 0.000 1.201 472 M CA -0.676 54.601 55.300 -0.039 0.000 0.971 472 M CB 1.481 34.033 32.600 -0.080 0.000 1.657 472 M HN -0.011 nan 8.290 nan 0.000 0.470 473 K N 2.377 122.708 120.400 -0.115 0.000 2.270 473 K HA 0.343 4.664 4.320 0.001 0.000 0.276 473 K C -2.332 174.131 176.600 -0.229 0.000 1.023 473 K CA -1.496 54.712 56.287 -0.131 0.000 0.955 473 K CB 0.249 32.693 32.500 -0.094 0.000 0.975 473 K HN 0.308 nan 8.250 nan 0.000 0.471 474 P HA -0.025 nan 4.420 nan 0.000 0.271 474 P C -0.947 176.253 177.300 -0.167 0.000 1.218 474 P CA 0.118 63.112 63.100 -0.177 0.000 0.780 474 P CB 0.338 31.980 31.700 -0.096 0.000 0.901 475 Y N 0.434 120.713 120.300 -0.034 0.000 2.425 475 Y HA 0.030 4.580 4.550 0.001 0.000 0.331 475 Y C 2.175 178.025 175.900 -0.084 0.000 1.157 475 Y CA 0.236 58.305 58.100 -0.053 0.000 1.372 475 Y CB 0.492 38.914 38.460 -0.063 0.000 1.253 475 Y HN 0.397 nan 8.280 nan 0.000 0.536 476 T N -2.381 112.243 114.554 0.116 0.000 3.065 476 T HA 0.138 4.489 4.350 0.001 0.000 0.252 476 T C 0.280 174.981 174.700 0.001 0.000 1.099 476 T CA 0.379 62.501 62.100 0.038 0.000 1.063 476 T CB -0.082 68.809 68.868 0.039 0.000 0.948 476 T HN 0.501 nan 8.240 nan 0.000 0.506 477 S N -1.112 114.574 115.700 -0.024 0.000 2.615 477 S HA 0.594 5.065 4.470 0.001 0.000 0.269 477 S C -0.187 174.305 174.600 -0.180 0.000 1.161 477 S CA -0.974 57.188 58.200 -0.063 0.000 0.817 477 S CB 0.338 63.549 63.200 0.018 0.000 1.131 477 S HN -0.054 nan 8.310 nan 0.000 0.467 478 F N 1.033 120.939 119.950 -0.074 0.000 2.325 478 F HA 0.060 4.588 4.527 0.001 0.000 0.299 478 F C 2.820 178.518 175.800 -0.169 0.000 1.090 478 F CA 1.082 58.995 58.000 -0.144 0.000 1.392 478 F CB -0.130 38.801 39.000 -0.116 0.000 1.053 478 F HN 0.627 nan 8.300 nan 0.000 0.521 479 Q N -0.026 119.806 119.800 0.052 0.000 2.079 479 Q HA -0.232 4.109 4.340 0.001 0.000 0.200 479 Q C 2.191 178.145 176.000 -0.076 0.000 0.974 479 Q CA 1.428 57.227 55.803 -0.007 0.000 0.840 479 Q CB -0.261 28.486 28.738 0.015 0.000 0.898 479 Q HN 0.444 nan 8.270 nan 0.000 0.430 480 E N 0.451 120.597 120.200 -0.090 0.000 2.204 480 E HA -0.187 4.164 4.350 0.001 0.000 0.194 480 E C 1.973 178.341 176.600 -0.385 0.000 0.989 480 E CA 0.477 56.817 56.400 -0.099 0.000 0.824 480 E CB 0.095 29.827 29.700 0.053 0.000 0.756 480 E HN 0.195 nan 8.360 nan 0.000 0.477 481 L N 0.410 121.236 121.223 -0.662 0.000 2.023 481 L HA -0.125 4.216 4.340 0.001 0.000 0.205 481 L C 2.529 179.106 176.870 -0.488 0.000 1.073 481 L CA 2.394 56.619 54.840 -1.026 0.000 0.745 481 L CB -0.627 40.942 42.059 -0.816 0.000 0.900 481 L HN 0.124 nan 8.230 nan 0.000 0.435 482 T N -3.673 110.713 114.554 -0.281 0.000 2.978 482 T HA 0.225 4.576 4.350 0.001 0.000 0.262 482 T C 1.545 176.169 174.700 -0.127 0.000 1.063 482 T CA 0.460 62.453 62.100 -0.178 0.000 1.140 482 T CB -0.474 68.321 68.868 -0.121 0.000 0.886 482 T HN 0.728 nan 8.240 nan 0.000 0.470 483 G N 1.882 110.617 108.800 -0.109 0.000 2.147 483 G HA2 -0.114 3.847 3.960 0.001 0.000 0.244 483 G HA3 -0.114 3.847 3.960 0.001 0.000 0.244 483 G C -0.206 174.667 174.900 -0.045 0.000 1.005 483 G CA 0.456 45.517 45.100 -0.065 0.000 0.713 483 G HN 1.025 nan 8.290 nan 0.000 0.515 484 E N -3.433 116.741 120.200 -0.042 0.000 2.442 484 E HA 0.861 5.212 4.350 0.001 0.000 0.271 484 E C 0.675 177.266 176.600 -0.015 0.000 1.002 484 E CA 0.063 56.448 56.400 -0.026 0.000 0.864 484 E CB -0.034 29.651 29.700 -0.025 0.000 1.573 484 E HN 0.660 nan 8.360 nan 0.000 0.456 485 K N -0.326 120.071 120.400 -0.006 0.000 2.286 485 K HA 0.349 4.670 4.320 0.001 0.000 0.203 485 K C 2.131 178.735 176.600 0.006 0.000 1.078 485 K CA 1.374 57.662 56.287 0.002 0.000 0.957 485 K CB -1.500 31.003 32.500 0.003 0.000 1.018 485 K HN 0.571 nan 8.250 nan 0.000 0.484 486 E N 1.047 121.252 120.200 0.009 0.000 2.001 486 E HA -0.079 4.271 4.350 0.001 0.000 0.195 486 E C 2.132 178.758 176.600 0.043 0.000 1.002 486 E CA 1.763 58.176 56.400 0.022 0.000 0.819 486 E CB -0.643 29.068 29.700 0.019 0.000 0.769 486 E HN 0.524 nan 8.360 nan 0.000 0.454 487 M N -0.090 119.545 119.600 0.058 0.000 2.144 487 M HA -0.136 4.345 4.480 0.001 0.000 0.260 487 M C 2.714 178.987 176.300 -0.046 0.000 1.067 487 M CA 1.644 57.006 55.300 0.103 0.000 1.095 487 M CB -0.271 32.378 32.600 0.082 0.000 1.365 487 M HN 0.516 nan 8.290 nan 0.000 0.406 488 A N -0.092 122.696 122.820 -0.053 0.000 1.898 488 A HA -0.042 4.279 4.320 0.001 0.000 0.216 488 A C 2.286 179.808 177.584 -0.103 0.000 1.181 488 A CA 1.778 53.776 52.037 -0.064 0.000 0.620 488 A CB -0.851 18.161 19.000 0.020 0.000 0.819 488 A HN 0.526 nan 8.150 nan 0.000 0.442 489 A N -0.694 122.102 122.820 -0.040 0.000 1.902 489 A HA 0.066 4.387 4.320 0.001 0.000 0.217 489 A C 2.167 179.718 177.584 -0.055 0.000 1.181 489 A CA 2.365 54.385 52.037 -0.030 0.000 0.623 489 A CB -1.050 17.952 19.000 0.004 0.000 0.818 489 A HN 0.731 nan 8.150 nan 0.000 0.443 490 E N -0.079 120.113 120.200 -0.013 0.000 2.106 490 E HA -0.041 4.310 4.350 0.001 0.000 0.192 490 E C 1.938 178.513 176.600 -0.043 0.000 0.984 490 E CA 1.274 57.711 56.400 0.061 0.000 0.806 490 E CB -0.826 29.024 29.700 0.249 0.000 0.750 490 E HN 0.623 nan 8.360 nan 0.000 0.458 491 L N -0.005 121.033 121.223 -0.310 0.000 2.093 491 L HA -0.127 4.214 4.340 0.001 0.000 0.208 491 L C 2.888 179.256 176.870 -0.836 0.000 1.085 491 L CA 1.472 55.910 54.840 -0.669 0.000 0.755 491 L CB -0.099 41.307 42.059 -1.089 0.000 0.904 491 L HN 0.343 nan 8.230 nan 0.000 0.435 492 E N 0.275 120.022 120.200 -0.754 0.000 2.110 492 E HA -0.276 4.074 4.350 0.001 0.000 0.193 492 E C 1.988 178.536 176.600 -0.087 0.000 0.988 492 E CA 1.423 57.628 56.400 -0.325 0.000 0.804 492 E CB 0.212 29.893 29.700 -0.032 0.000 0.745 492 E HN 0.413 nan 8.360 nan 0.000 0.458 493 E N 0.397 120.545 120.200 -0.085 0.000 2.077 493 E HA -0.127 4.224 4.350 0.001 0.000 0.193 493 E C 2.285 178.866 176.600 -0.031 0.000 0.989 493 E CA 0.996 57.379 56.400 -0.028 0.000 0.800 493 E CB -0.235 29.457 29.700 -0.013 0.000 0.746 493 E HN 0.221 nan 8.360 nan 0.000 0.452 494 L N -0.951 120.234 121.223 -0.064 0.000 2.044 494 L HA -0.119 4.222 4.340 0.001 0.000 0.205 494 L C 2.161 178.954 176.870 -0.127 0.000 1.075 494 L CA 1.284 56.060 54.840 -0.107 0.000 0.747 494 L CB -0.418 41.566 42.059 -0.125 0.000 0.903 494 L HN 0.223 nan 8.230 nan 0.000 0.435 495 Y N -0.756 119.523 120.300 -0.035 0.000 2.397 495 Y HA 0.040 4.591 4.550 0.002 0.000 0.292 495 Y C 2.082 178.048 175.900 0.109 0.000 1.115 495 Y CA 0.811 58.955 58.100 0.073 0.000 1.208 495 Y CB 0.291 38.871 38.460 0.200 0.000 1.046 495 Y HN 0.306 nan 8.280 nan 0.000 0.552 496 G N -0.146 108.798 108.800 0.239 0.000 2.417 496 G HA2 -0.334 3.626 3.960 0.001 0.000 0.233 496 G HA3 -0.334 3.626 3.960 0.001 0.000 0.233 496 G C -0.147 174.890 174.900 0.228 0.000 1.103 496 G CA 0.594 45.805 45.100 0.185 0.000 0.647 496 G HN 0.399 nan 8.290 nan 0.000 0.512 497 D N -1.706 118.874 120.400 0.301 0.000 2.661 497 D HA 0.595 5.236 4.640 0.001 0.000 0.228 497 D C 0.860 177.278 176.300 0.198 0.000 1.210 497 D CA -0.318 53.820 54.000 0.229 0.000 0.826 497 D CB 1.339 42.219 40.800 0.134 0.000 1.542 497 D HN 0.187 nan 8.370 nan 0.000 0.447 498 I N 1.284 121.816 120.570 -0.063 0.000 2.493 498 I HA -0.065 4.106 4.170 0.001 0.000 0.254 498 I C 0.970 176.939 176.117 -0.247 0.000 1.160 498 I CA 1.449 62.441 61.300 -0.514 0.000 1.445 498 I CB 0.028 37.699 38.000 -0.548 0.000 1.086 498 I HN 0.407 nan 8.210 nan 0.000 0.433 499 D N 0.496 120.852 120.400 -0.074 0.000 2.363 499 D HA 0.095 4.736 4.640 0.001 0.000 0.226 499 D C 1.714 178.031 176.300 0.028 0.000 1.020 499 D CA 0.909 54.902 54.000 -0.011 0.000 0.892 499 D CB 0.340 41.155 40.800 0.024 0.000 0.900 499 D HN 0.512 nan 8.370 nan 0.000 0.531 500 A N 0.151 122.987 122.820 0.026 0.000 2.288 500 A HA 0.126 4.447 4.320 0.001 0.000 0.216 500 A C 0.911 178.453 177.584 -0.071 0.000 1.199 500 A CA -0.341 51.750 52.037 0.090 0.000 0.891 500 A CB 0.191 19.325 19.000 0.224 0.000 0.923 500 A HN 0.179 nan 8.150 nan 0.000 0.500 501 L N 1.519 122.532 121.223 -0.350 0.000 2.525 501 L HA 0.121 4.462 4.340 0.001 0.000 0.278 501 L C 0.258 177.015 176.870 -0.188 0.000 1.218 501 L CA 0.392 54.813 54.840 -0.698 0.000 0.878 501 L CB 0.152 41.908 42.059 -0.504 0.000 1.127 501 L HN 0.393 nan 8.230 nan 0.000 0.492 502 E N 3.333 123.470 120.200 -0.106 0.000 2.342 502 E HA 0.031 4.382 4.350 0.001 0.000 0.257 502 E C 0.297 177.053 176.600 0.260 0.000 1.150 502 E CA -0.290 56.224 56.400 0.191 0.000 0.926 502 E CB 0.634 30.502 29.700 0.279 0.000 1.074 502 E HN 0.689 nan 8.360 nan 0.000 0.449 503 F N 0.904 120.995 119.950 0.234 0.000 2.031 503 F HA -0.270 4.258 4.527 0.001 0.000 0.295 503 F C 2.155 178.089 175.800 0.222 0.000 1.133 503 F CA 1.640 59.820 58.000 0.300 0.000 1.188 503 F CB -0.361 38.710 39.000 0.119 0.000 0.974 503 F HN 0.593 nan 8.300 nan 0.000 0.473 504 Y N 1.343 121.684 120.300 0.069 0.000 2.089 504 Y HA -0.033 4.518 4.550 0.001 0.000 0.282 504 Y C -0.748 175.074 175.900 -0.131 0.000 1.139 504 Y CA 1.581 59.631 58.100 -0.082 0.000 1.123 504 Y CB -1.960 36.509 38.460 0.015 0.000 0.980 504 Y HN 0.033 nan 8.280 nan 0.000 0.493 505 P HA -0.166 nan 4.420 nan 0.000 0.216 505 P C 1.678 178.735 177.300 -0.405 0.000 1.150 505 P CA 2.430 65.407 63.100 -0.205 0.000 0.843 505 P CB -0.487 31.221 31.700 0.013 0.000 0.787 506 G N -0.100 108.361 108.800 -0.565 0.000 2.459 506 G HA2 -0.251 3.710 3.960 0.001 0.000 0.217 506 G HA3 -0.251 3.710 3.960 0.001 0.000 0.217 506 G C 1.504 175.741 174.900 -1.106 0.000 1.183 506 G CA 0.668 45.025 45.100 -1.238 0.000 0.776 506 G HN 0.231 nan 8.290 nan 0.000 0.552 507 L N -0.163 120.636 121.223 -0.707 0.000 2.127 507 L HA 0.005 4.346 4.340 0.001 0.000 0.211 507 L C 2.732 179.394 176.870 -0.346 0.000 1.089 507 L CA 0.590 55.219 54.840 -0.351 0.000 0.757 507 L CB -0.194 41.657 42.059 -0.347 0.000 0.899 507 L HN 0.189 nan 8.230 nan 0.000 0.434 508 L N -1.092 119.867 121.223 -0.440 0.000 2.416 508 L HA -0.014 4.327 4.340 0.001 0.000 0.216 508 L C 1.787 178.505 176.870 -0.254 0.000 1.098 508 L CA 0.417 55.049 54.840 -0.347 0.000 0.840 508 L CB 0.141 41.922 42.059 -0.463 0.000 0.981 508 L HN 0.290 nan 8.230 nan 0.000 0.462 509 L N -0.925 120.122 121.223 -0.294 0.000 2.640 509 L HA 0.146 4.487 4.340 0.001 0.000 0.230 509 L C 0.951 177.677 176.870 -0.239 0.000 1.123 509 L CA -0.068 54.629 54.840 -0.238 0.000 0.900 509 L CB 0.196 42.098 42.059 -0.261 0.000 1.146 509 L HN 0.166 nan 8.230 nan 0.000 0.484 510 E N 2.969 123.015 120.200 -0.257 0.000 2.392 510 E HA 0.031 4.382 4.350 0.001 0.000 0.264 510 E C -0.069 176.435 176.600 -0.160 0.000 1.024 510 E CA -0.487 55.784 56.400 -0.216 0.000 0.903 510 E CB 0.735 30.361 29.700 -0.123 0.000 0.963 510 E HN 0.118 nan 8.360 nan 0.000 0.432 511 K N 2.807 123.113 120.400 -0.158 0.000 2.504 511 K HA -0.024 4.297 4.320 0.001 0.000 0.278 511 K C -0.671 175.849 176.600 -0.133 0.000 1.025 511 K CA -0.300 55.913 56.287 -0.123 0.000 1.093 511 K CB -0.054 32.383 32.500 -0.105 0.000 0.873 511 K HN 0.292 nan 8.250 nan 0.000 0.483 512 C N 3.714 122.947 119.300 -0.112 0.000 2.605 512 C HA 0.118 4.579 4.460 0.001 0.000 0.404 512 C C 0.686 175.614 174.990 -0.103 0.000 1.284 512 C CA -0.690 58.261 59.018 -0.113 0.000 2.199 512 C CB -0.618 27.073 27.740 -0.083 0.000 2.647 512 C HN 0.720 nan 8.230 nan 0.000 0.604 513 H N 2.264 121.299 119.070 -0.059 0.000 3.038 513 H HA 0.048 4.605 4.556 0.001 0.000 0.338 513 H C -1.970 173.350 175.328 -0.015 0.000 1.041 513 H CA -0.620 55.387 56.048 -0.068 0.000 1.394 513 H CB -0.222 29.433 29.762 -0.179 0.000 1.357 513 H HN 0.412 nan 8.280 nan 0.000 0.600 514 P HA -0.162 nan 4.420 nan 0.000 0.257 514 P C 0.303 177.645 177.300 0.070 0.000 1.162 514 P CA 0.589 63.752 63.100 0.104 0.000 0.762 514 P CB 0.187 31.974 31.700 0.145 0.000 0.753 515 N N -0.608 118.097 118.700 0.008 0.000 2.708 515 N HA -0.152 4.589 4.740 0.001 0.000 0.251 515 N C -0.248 175.216 175.510 -0.075 0.000 1.123 515 N CA 1.121 54.148 53.050 -0.040 0.000 0.739 515 N CB -1.430 37.035 38.487 -0.037 0.000 1.113 515 N HN 0.331 nan 8.380 nan 0.000 0.561 516 S N -0.027 115.635 115.700 -0.064 0.000 2.767 516 S HA 0.522 4.993 4.470 0.001 0.000 0.300 516 S C 1.643 176.091 174.600 -0.254 0.000 1.123 516 S CA -0.615 57.505 58.200 -0.133 0.000 0.992 516 S CB 2.099 65.296 63.200 -0.005 0.000 1.138 516 S HN 0.247 nan 8.310 nan 0.000 0.550 517 I N 0.115 120.404 120.570 -0.469 0.000 2.584 517 I HA 0.176 4.347 4.170 0.001 0.000 0.255 517 I C -0.374 175.407 176.117 -0.559 0.000 1.145 517 I CA 0.895 61.812 61.300 -0.638 0.000 1.462 517 I CB 0.075 37.494 38.000 -0.969 0.000 1.102 517 I HN 0.644 nan 8.210 nan 0.000 0.433 518 F N -1.723 118.104 119.950 -0.205 0.000 2.950 518 F HA 0.732 5.259 4.527 0.001 0.000 0.327 518 F C 0.391 176.090 175.800 -0.169 0.000 1.197 518 F CA -1.028 56.852 58.000 -0.200 0.000 0.954 518 F CB -0.118 38.736 39.000 -0.243 0.000 1.442 518 F HN -0.252 nan 8.300 nan 0.000 0.509 519 G N -0.650 108.226 108.800 0.126 0.000 2.525 519 G HA2 0.282 4.242 3.960 0.001 0.000 0.287 519 G HA3 0.282 4.242 3.960 0.001 0.000 0.287 519 G C 0.192 174.982 174.900 -0.182 0.000 1.350 519 G CA -0.213 44.800 45.100 -0.145 0.000 1.039 519 G HN 0.927 nan 8.290 nan 0.000 0.513 520 E N -0.817 119.157 120.200 -0.376 0.000 2.085 520 E HA -0.152 4.199 4.350 0.001 0.000 0.194 520 E C 2.449 179.056 176.600 0.010 0.000 0.994 520 E CA 1.558 57.877 56.400 -0.134 0.000 0.801 520 E CB -0.084 29.564 29.700 -0.088 0.000 0.743 520 E HN 0.369 nan 8.360 nan 0.000 0.453 521 S N 0.249 115.948 115.700 -0.001 0.000 2.387 521 S HA -0.134 4.337 4.470 0.001 0.000 0.226 521 S C 1.784 176.316 174.600 -0.113 0.000 1.026 521 S CA 1.110 59.299 58.200 -0.019 0.000 0.972 521 S CB -0.171 63.103 63.200 0.123 0.000 0.814 521 S HN 0.282 nan 8.310 nan 0.000 0.477 522 M N 1.392 120.871 119.600 -0.201 0.000 2.175 522 M HA 0.015 4.496 4.480 0.001 0.000 0.264 522 M C 1.624 177.726 176.300 -0.330 0.000 1.063 522 M CA 1.413 56.460 55.300 -0.422 0.000 1.119 522 M CB -0.323 31.667 32.600 -1.016 0.000 1.377 522 M HN 0.242 nan 8.290 nan 0.000 0.415 523 I N -0.359 120.129 120.570 -0.138 0.000 2.133 523 I HA -0.240 3.931 4.170 0.001 0.000 0.238 523 I C 2.093 178.238 176.117 0.047 0.000 1.074 523 I CA 1.120 62.463 61.300 0.073 0.000 1.342 523 I CB -0.689 37.469 38.000 0.263 0.000 1.053 523 I HN 0.239 nan 8.210 nan 0.000 0.404 524 E N 0.375 120.594 120.200 0.031 0.000 2.338 524 E HA -0.124 4.227 4.350 0.001 0.000 0.197 524 E C 2.067 178.572 176.600 -0.159 0.000 1.007 524 E CA 1.097 57.510 56.400 0.021 0.000 0.849 524 E CB 0.013 29.751 29.700 0.063 0.000 0.774 524 E HN 0.589 nan 8.360 nan 0.000 0.506 525 M N -1.066 118.339 119.600 -0.326 0.000 2.615 525 M HA 0.122 4.603 4.480 0.001 0.000 0.262 525 M C 2.177 178.259 176.300 -0.363 0.000 1.198 525 M CA 0.751 55.575 55.300 -0.793 0.000 1.165 525 M CB 0.208 32.468 32.600 -0.567 0.000 1.310 525 M HN 0.036 nan 8.290 nan 0.000 0.494 526 G N 0.379 109.143 108.800 -0.060 0.000 2.396 526 G HA2 -0.011 3.950 3.960 0.001 0.000 0.214 526 G HA3 -0.011 3.950 3.960 0.001 0.000 0.214 526 G C 1.622 176.622 174.900 0.166 0.000 1.166 526 G CA 0.842 46.055 45.100 0.188 0.000 0.793 526 G HN 0.448 nan 8.290 nan 0.000 0.533 527 A N 1.819 124.697 122.820 0.097 0.000 1.883 527 A HA 0.015 4.335 4.320 0.001 0.000 0.217 527 A C 0.755 178.372 177.584 0.056 0.000 1.186 527 A CA 2.114 54.222 52.037 0.118 0.000 0.624 527 A CB -1.271 17.810 19.000 0.134 0.000 0.822 527 A HN 0.372 nan 8.150 nan 0.000 0.444 528 P HA -0.136 nan 4.420 nan 0.000 0.215 528 P C 1.182 178.395 177.300 -0.145 0.000 1.153 528 P CA 1.138 64.201 63.100 -0.062 0.000 0.853 528 P CB -0.208 31.472 31.700 -0.033 0.000 0.788 529 F N -0.700 119.144 119.950 -0.177 0.000 2.102 529 F HA -0.164 4.364 4.527 0.002 0.000 0.298 529 F C 2.773 178.213 175.800 -0.600 0.000 1.105 529 F CA 1.392 59.067 58.000 -0.542 0.000 1.239 529 F CB -0.990 37.305 39.000 -1.175 0.000 0.991 529 F HN -0.070 nan 8.300 nan 0.000 0.474 530 S N 0.614 116.199 115.700 -0.191 0.000 2.348 530 S HA -0.155 4.315 4.470 0.001 0.000 0.221 530 S C 2.007 176.686 174.600 0.132 0.000 1.033 530 S CA 1.283 59.554 58.200 0.119 0.000 1.010 530 S CB -0.511 62.919 63.200 0.383 0.000 0.891 530 S HN 0.276 nan 8.310 nan 0.000 0.442 531 L N 0.744 122.042 121.223 0.124 0.000 2.156 531 L HA 0.005 4.345 4.340 0.001 0.000 0.208 531 L C 2.575 179.539 176.870 0.156 0.000 1.095 531 L CA 1.129 56.053 54.840 0.141 0.000 0.770 531 L CB -0.411 41.728 42.059 0.134 0.000 0.914 531 L HN 0.258 nan 8.230 nan 0.000 0.439 532 K N 0.862 121.337 120.400 0.124 0.000 2.148 532 K HA -0.070 4.250 4.320 0.001 0.000 0.204 532 K C 1.924 178.588 176.600 0.107 0.000 1.050 532 K CA 1.328 57.702 56.287 0.145 0.000 0.942 532 K CB -0.532 31.992 32.500 0.041 0.000 0.724 532 K HN 0.190 nan 8.250 nan 0.000 0.446 533 G N 0.439 109.260 108.800 0.036 0.000 2.402 533 G HA2 -0.132 3.829 3.960 0.001 0.000 0.216 533 G HA3 -0.132 3.829 3.960 0.001 0.000 0.216 533 G C 1.162 176.092 174.900 0.050 0.000 1.162 533 G CA 0.541 45.626 45.100 -0.027 0.000 0.777 533 G HN 0.159 nan 8.290 nan 0.000 0.539 534 L N 0.381 121.675 121.223 0.118 0.000 1.993 534 L HA 0.152 4.493 4.340 0.001 0.000 0.206 534 L C 2.793 179.781 176.870 0.196 0.000 1.074 534 L CA 0.866 55.792 54.840 0.142 0.000 0.746 534 L CB -1.362 40.770 42.059 0.122 0.000 0.896 534 L HN 0.098 nan 8.230 nan 0.000 0.435 535 L N -0.109 121.251 121.223 0.229 0.000 2.291 535 L HA -0.009 4.332 4.340 0.001 0.000 0.214 535 L C 2.271 179.436 176.870 0.492 0.000 1.120 535 L CA 1.368 56.370 54.840 0.269 0.000 0.799 535 L CB -1.759 40.327 42.059 0.043 0.000 0.925 535 L HN 0.355 nan 8.230 nan 0.000 0.446 536 G N -0.504 108.575 108.800 0.466 0.000 2.848 536 G HA2 -0.179 3.782 3.960 0.001 0.000 0.208 536 G HA3 -0.179 3.782 3.960 0.001 0.000 0.208 536 G C 0.891 175.983 174.900 0.321 0.000 1.152 536 G CA -0.222 45.100 45.100 0.370 0.000 0.789 536 G HN 0.333 nan 8.290 nan 0.000 0.531 537 N N 1.200 120.085 118.700 0.308 0.000 2.483 537 N HA 0.060 4.801 4.740 0.001 0.000 0.264 537 N C -1.102 174.573 175.510 0.276 0.000 1.197 537 N CA -1.389 51.812 53.050 0.253 0.000 0.927 537 N CB 1.998 40.630 38.487 0.242 0.000 1.065 537 N HN -0.063 nan 8.380 nan 0.000 0.461 538 P HA -0.162 nan 4.420 nan 0.000 0.219 538 P C 1.503 178.777 177.300 -0.044 0.000 1.146 538 P CA 1.126 64.167 63.100 -0.100 0.000 0.808 538 P CB -0.112 31.433 31.700 -0.258 0.000 0.779 539 I N -2.973 117.791 120.570 0.322 0.000 2.567 539 I HA -0.124 4.047 4.170 0.001 0.000 0.257 539 I C 1.584 178.053 176.117 0.587 0.000 1.184 539 I CA 1.448 63.096 61.300 0.579 0.000 1.451 539 I CB -1.175 37.223 38.000 0.664 0.000 1.089 539 I HN -0.174 nan 8.210 nan 0.000 0.441 540 C N 1.618 121.139 119.300 0.368 0.000 2.576 540 C HA 0.206 4.667 4.460 0.001 0.000 0.267 540 C C 1.708 176.763 174.990 0.108 0.000 1.364 540 C CA 0.179 59.347 59.018 0.250 0.000 1.723 540 C CB -2.158 25.771 27.740 0.315 0.000 1.778 540 C HN 0.710 nan 8.230 nan 0.000 0.572 541 S N 2.138 117.679 115.700 -0.266 0.000 2.601 541 S HA 0.239 4.709 4.470 0.001 0.000 0.271 541 S C -1.246 173.206 174.600 -0.246 0.000 1.305 541 S CA -0.723 56.946 58.200 -0.886 0.000 1.022 541 S CB 0.976 63.559 63.200 -1.028 0.000 0.940 541 S HN 0.172 nan 8.310 nan 0.000 0.525 542 P HA -0.100 nan 4.420 nan 0.000 0.222 542 P C 1.070 178.249 177.300 -0.202 0.000 1.147 542 P CA 1.098 63.767 63.100 -0.718 0.000 0.790 542 P CB 0.123 31.195 31.700 -1.046 0.000 0.780 543 E N -0.608 119.521 120.200 -0.118 0.000 2.107 543 E HA -0.143 4.208 4.350 0.001 0.000 0.191 543 E C 1.838 178.582 176.600 0.240 0.000 0.982 543 E CA 1.304 57.737 56.400 0.054 0.000 0.809 543 E CB -0.700 29.044 29.700 0.074 0.000 0.756 543 E HN 0.365 nan 8.360 nan 0.000 0.459 544 Y N -2.005 118.280 120.300 -0.024 0.000 2.479 544 Y HA 0.050 4.601 4.550 0.001 0.000 0.283 544 Y C 0.802 176.767 175.900 0.108 0.000 1.109 544 Y CA -0.519 57.585 58.100 0.006 0.000 1.239 544 Y CB 0.170 38.658 38.460 0.047 0.000 1.108 544 Y HN 0.089 nan 8.280 nan 0.000 0.548 545 W N 5.473 126.918 121.300 0.242 0.000 1.839 545 W HA 0.146 4.807 4.660 0.001 0.000 0.489 545 W C -0.683 175.974 176.519 0.230 0.000 0.789 545 W CA 0.400 57.962 57.345 0.360 0.000 1.900 545 W CB -0.457 29.323 29.460 0.535 0.000 1.773 545 W HN 0.107 nan 8.180 nan 0.000 0.251 546 K N 1.109 121.327 120.400 -0.303 0.000 2.555 546 K HA 0.645 4.966 4.320 0.001 0.000 0.279 546 K C 0.285 176.356 176.600 -0.882 0.000 0.986 546 K CA -0.503 55.483 56.287 -0.501 0.000 0.880 546 K CB 0.781 33.171 32.500 -0.184 0.000 1.474 546 K HN -0.108 nan 8.250 nan 0.000 0.433 547 A N 1.119 123.507 122.820 -0.721 0.000 1.908 547 A HA -0.203 4.118 4.320 0.001 0.000 0.218 547 A C 2.130 179.565 177.584 -0.248 0.000 1.181 547 A CA 2.431 54.164 52.037 -0.506 0.000 0.627 547 A CB -1.306 17.645 19.000 -0.082 0.000 0.818 547 A HN 0.871 nan 8.150 nan 0.000 0.445 548 S N -0.395 115.181 115.700 -0.208 0.000 2.387 548 S HA -0.201 4.270 4.470 0.001 0.000 0.230 548 S C 1.754 176.217 174.600 -0.228 0.000 1.035 548 S CA 1.998 60.115 58.200 -0.138 0.000 1.014 548 S CB -1.495 61.635 63.200 -0.115 0.000 0.836 548 S HN 0.547 nan 8.310 nan 0.000 0.466 549 T N 1.364 115.637 114.554 -0.470 0.000 2.849 549 T HA -0.008 4.342 4.350 0.001 0.000 0.270 549 T C 0.528 174.752 174.700 -0.793 0.000 1.066 549 T CA 1.185 62.835 62.100 -0.749 0.000 1.130 549 T CB -0.521 67.677 68.868 -1.117 0.000 0.864 549 T HN 0.625 nan 8.240 nan 0.000 0.481 550 F N 0.138 120.014 119.950 -0.123 0.000 2.791 550 F HA 0.509 5.037 4.527 0.001 0.000 0.308 550 F C 1.536 177.385 175.800 0.082 0.000 1.138 550 F CA -0.719 57.276 58.000 -0.008 0.000 1.294 550 F CB 0.013 39.008 39.000 -0.009 0.000 0.975 550 F HN 0.147 nan 8.300 nan 0.000 0.512 551 G N 0.367 109.297 108.800 0.218 0.000 2.168 551 G HA2 0.059 4.020 3.960 0.001 0.000 0.257 551 G HA3 0.059 4.020 3.960 0.001 0.000 0.257 551 G C 0.709 175.766 174.900 0.262 0.000 0.997 551 G CA 0.188 45.470 45.100 0.303 0.000 0.708 551 G HN 1.274 nan 8.290 nan 0.000 0.520 552 G N -1.198 107.697 108.800 0.158 0.000 2.384 552 G HA2 0.219 4.180 3.960 0.001 0.000 0.204 552 G HA3 0.219 4.180 3.960 0.001 0.000 0.204 552 G C 0.259 175.244 174.900 0.143 0.000 1.237 552 G CA 0.631 45.800 45.100 0.115 0.000 1.060 552 G HN 0.991 nan 8.290 nan 0.000 0.514 553 E N -0.570 119.700 120.200 0.118 0.000 2.107 553 E HA 0.088 4.438 4.350 0.001 0.000 0.191 553 E C 2.751 179.425 176.600 0.123 0.000 0.982 553 E CA 1.894 58.382 56.400 0.146 0.000 0.809 553 E CB -0.217 29.536 29.700 0.087 0.000 0.756 553 E HN 0.580 nan 8.360 nan 0.000 0.459 554 V N -0.033 119.925 119.914 0.074 0.000 2.295 554 V HA -0.189 3.931 4.120 0.001 0.000 0.246 554 V C 2.301 178.447 176.094 0.087 0.000 1.049 554 V CA 1.948 64.278 62.300 0.050 0.000 1.024 554 V CB -1.130 30.696 31.823 0.005 0.000 0.648 554 V HN 0.439 nan 8.190 nan 0.000 0.447 555 G N -1.095 107.787 108.800 0.138 0.000 2.408 555 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 555 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 555 G C 1.534 176.530 174.900 0.161 0.000 1.150 555 G CA 0.622 45.833 45.100 0.184 0.000 0.776 555 G HN 0.400 nan 8.290 nan 0.000 0.542 556 F N 2.258 122.183 119.950 -0.040 0.000 2.146 556 F HA 0.011 4.539 4.527 0.001 0.000 0.298 556 F C 2.261 177.945 175.800 -0.194 0.000 1.096 556 F CA 0.811 58.667 58.000 -0.240 0.000 1.275 556 F CB -0.382 38.539 39.000 -0.133 0.000 1.008 556 F HN 0.076 nan 8.300 nan 0.000 0.480 557 N N 0.488 119.199 118.700 0.020 0.000 2.244 557 N HA -0.112 4.629 4.740 0.001 0.000 0.183 557 N C 2.179 177.679 175.510 -0.017 0.000 1.016 557 N CA 0.754 53.771 53.050 -0.055 0.000 0.866 557 N CB -0.544 37.929 38.487 -0.024 0.000 0.980 557 N HN 0.312 nan 8.380 nan 0.000 0.430 558 L N 0.330 121.565 121.223 0.019 0.000 2.079 558 L HA -0.141 4.200 4.340 0.001 0.000 0.210 558 L C 2.060 178.966 176.870 0.060 0.000 1.081 558 L CA 0.929 55.794 54.840 0.042 0.000 0.752 558 L CB -0.427 41.670 42.059 0.064 0.000 0.896 558 L HN 0.004 nan 8.230 nan 0.000 0.433 559 V N -0.182 119.752 119.914 0.033 0.000 2.270 559 V HA -0.258 3.862 4.120 0.001 0.000 0.245 559 V C 2.405 178.600 176.094 0.169 0.000 1.043 559 V CA 1.681 64.048 62.300 0.111 0.000 1.014 559 V CB -0.499 31.348 31.823 0.041 0.000 0.645 559 V HN 0.398 nan 8.190 nan 0.000 0.447 560 K N 0.482 120.912 120.400 0.049 0.000 2.103 560 K HA -0.149 4.172 4.320 0.001 0.000 0.207 560 K C 1.887 178.525 176.600 0.064 0.000 1.048 560 K CA 1.919 58.230 56.287 0.040 0.000 0.930 560 K CB -0.336 32.075 32.500 -0.148 0.000 0.716 560 K HN 0.695 nan 8.250 nan 0.000 0.444 561 T N -2.202 112.377 114.554 0.041 0.000 3.092 561 T HA 0.380 4.730 4.350 0.001 0.000 0.258 561 T C 0.495 175.228 174.700 0.055 0.000 1.031 561 T CA -0.370 61.753 62.100 0.039 0.000 0.925 561 T CB 0.253 69.128 68.868 0.012 0.000 1.036 561 T HN 0.104 nan 8.240 nan 0.000 0.544 562 A N 1.105 123.977 122.820 0.087 0.000 2.555 562 A HA 0.502 4.823 4.320 0.001 0.000 0.233 562 A C 0.404 178.034 177.584 0.078 0.000 1.060 562 A CA 0.237 52.330 52.037 0.094 0.000 0.759 562 A CB -0.150 18.939 19.000 0.150 0.000 0.995 562 A HN 0.450 nan 8.150 nan 0.000 0.506 563 T N 1.163 115.745 114.554 0.047 0.000 2.942 563 T HA 0.319 4.669 4.350 0.001 0.000 0.327 563 T C 0.803 175.484 174.700 -0.031 0.000 1.360 563 T CA -0.212 61.894 62.100 0.011 0.000 1.055 563 T CB 1.095 69.956 68.868 -0.012 0.000 1.261 563 T HN 0.738 nan 8.240 nan 0.000 0.485 564 L N 3.702 124.879 121.223 -0.078 0.000 2.017 564 L HA 0.106 4.447 4.340 0.001 0.000 0.208 564 L C 2.482 179.245 176.870 -0.178 0.000 1.073 564 L CA 2.140 56.887 54.840 -0.155 0.000 0.745 564 L CB -0.416 41.398 42.059 -0.409 0.000 0.894 564 L HN 0.729 nan 8.230 nan 0.000 0.432 565 K N -0.440 119.847 120.400 -0.187 0.000 2.044 565 K HA -0.263 4.058 4.320 0.001 0.000 0.210 565 K C 2.170 178.691 176.600 -0.132 0.000 1.049 565 K CA 2.035 58.219 56.287 -0.171 0.000 0.927 565 K CB -0.106 32.303 32.500 -0.152 0.000 0.713 565 K HN 0.331 nan 8.250 nan 0.000 0.443 566 K N 0.380 120.718 120.400 -0.103 0.000 2.057 566 K HA -0.135 4.186 4.320 0.001 0.000 0.206 566 K C 2.130 178.662 176.600 -0.113 0.000 1.050 566 K CA 1.204 57.439 56.287 -0.086 0.000 0.935 566 K CB -0.225 32.243 32.500 -0.053 0.000 0.715 566 K HN 0.093 nan 8.250 nan 0.000 0.439 567 L N 0.985 122.125 121.223 -0.139 0.000 2.043 567 L HA -0.238 4.103 4.340 0.001 0.000 0.212 567 L C 1.939 178.662 176.870 -0.245 0.000 1.075 567 L CA 1.611 56.315 54.840 -0.227 0.000 0.752 567 L CB -0.214 41.659 42.059 -0.310 0.000 0.891 567 L HN -0.057 nan 8.230 nan 0.000 0.432 568 V N -1.839 117.949 119.914 -0.210 0.000 2.256 568 V HA -0.271 3.850 4.120 0.001 0.000 0.240 568 V C 2.469 178.469 176.094 -0.157 0.000 1.036 568 V CA 1.801 63.981 62.300 -0.199 0.000 1.008 568 V CB -0.768 30.942 31.823 -0.189 0.000 0.648 568 V HN 0.569 nan 8.190 nan 0.000 0.453 569 c N -0.150 118.370 118.600 -0.133 0.000 2.432 569 c HA -0.036 4.535 4.570 0.001 0.000 0.280 569 c C 2.492 176.528 174.090 -0.091 0.000 1.353 569 c CA 0.367 56.633 56.329 -0.104 0.000 1.766 569 c CB -1.130 41.325 42.510 -0.092 0.000 1.924 569 c HN 0.475 nan 8.230 nan 0.000 0.509 570 L N 1.162 122.329 121.223 -0.093 0.000 2.465 570 L HA 0.052 4.393 4.340 0.001 0.000 0.224 570 L C 1.489 178.307 176.870 -0.086 0.000 1.145 570 L CA 1.625 56.418 54.840 -0.078 0.000 0.834 570 L CB -0.711 41.307 42.059 -0.068 0.000 0.944 570 L HN 0.398 nan 8.230 nan 0.000 0.451 571 N N -1.261 117.373 118.700 -0.109 0.000 2.200 571 N HA 0.113 4.854 4.740 0.001 0.000 0.224 571 N C 0.194 175.629 175.510 -0.125 0.000 1.179 571 N CA 0.303 53.282 53.050 -0.119 0.000 0.877 571 N CB 0.933 39.336 38.487 -0.141 0.000 1.072 571 N HN 0.316 nan 8.380 nan 0.000 0.519 572 T N -4.319 110.170 114.554 -0.108 0.000 2.916 572 T HA 0.530 4.881 4.350 0.001 0.000 0.292 572 T C 1.191 175.847 174.700 -0.074 0.000 1.055 572 T CA -0.557 61.484 62.100 -0.099 0.000 1.009 572 T CB 2.088 70.897 68.868 -0.099 0.000 1.118 572 T HN -0.033 nan 8.240 nan 0.000 0.497 573 K N 0.586 120.948 120.400 -0.062 0.000 2.097 573 K HA 0.249 4.570 4.320 0.001 0.000 0.205 573 K C 1.382 177.959 176.600 -0.038 0.000 1.050 573 K CA 1.638 57.898 56.287 -0.045 0.000 0.938 573 K CB -1.114 31.365 32.500 -0.035 0.000 0.718 573 K HN 1.167 nan 8.250 nan 0.000 0.442 574 T N -4.128 110.402 114.554 -0.039 0.000 2.916 574 T HA 0.487 4.838 4.350 0.001 0.000 0.292 574 T C -0.504 174.171 174.700 -0.042 0.000 1.055 574 T CA -0.783 61.297 62.100 -0.033 0.000 1.009 574 T CB 1.482 70.337 68.868 -0.021 0.000 1.118 574 T HN 0.162 nan 8.240 nan 0.000 0.497 575 c N 3.932 122.510 118.600 -0.037 0.000 2.325 575 c HA 0.647 5.218 4.570 0.001 0.000 0.347 575 c C -1.425 172.649 174.090 -0.028 0.000 1.263 575 c CA -0.719 55.584 56.329 -0.043 0.000 1.806 575 c CB -0.271 42.215 42.510 -0.039 0.000 2.405 575 c HN 0.781 nan 8.230 nan 0.000 0.537 576 P HA 0.199 nan 4.420 nan 0.000 0.287 576 P C -1.157 176.153 177.300 0.017 0.000 1.296 576 P CA -0.603 62.494 63.100 -0.006 0.000 0.811 576 P CB 0.461 32.143 31.700 -0.029 0.000 1.211 577 Y N 0.443 120.709 120.300 -0.058 0.000 2.569 577 Y HA 0.331 4.881 4.550 0.001 0.000 0.332 577 Y C -0.437 175.418 175.900 -0.075 0.000 1.120 577 Y CA 0.103 58.165 58.100 -0.063 0.000 1.416 577 Y CB 0.031 38.461 38.460 -0.050 0.000 1.210 577 Y HN 0.122 nan 8.280 nan 0.000 0.528 578 V N 6.871 126.373 119.914 -0.687 0.000 2.569 578 V HA 0.760 4.881 4.120 0.001 0.000 0.301 578 V C -1.242 174.415 176.094 -0.727 0.000 1.044 578 V CA 0.321 62.289 62.300 -0.553 0.000 0.874 578 V CB 1.476 33.110 31.823 -0.315 0.000 1.002 578 V HN 0.912 nan 8.190 nan 0.000 0.424 579 S N 4.681 119.990 115.700 -0.652 0.000 2.633 579 S HA 0.456 4.926 4.470 0.001 0.000 0.271 579 S C -0.385 174.009 174.600 -0.344 0.000 1.112 579 S CA -0.401 57.426 58.200 -0.623 0.000 0.828 579 S CB 1.078 63.763 63.200 -0.857 0.000 1.086 579 S HN 0.620 nan 8.310 nan 0.000 0.461 580 F N 1.590 121.501 119.950 -0.065 0.000 2.797 580 F HA 0.224 4.752 4.527 0.001 0.000 0.302 580 F C 1.001 176.868 175.800 0.112 0.000 1.130 580 F CA 0.153 58.225 58.000 0.119 0.000 1.387 580 F CB 0.160 39.283 39.000 0.205 0.000 1.107 580 F HN 0.689 nan 8.300 nan 0.000 0.577 581 H N -2.495 116.694 119.070 0.199 0.000 2.821 581 H HA 0.530 5.087 4.556 0.001 0.000 0.373 581 H C -0.486 174.983 175.328 0.234 0.000 1.165 581 H CA -1.702 54.434 56.048 0.147 0.000 1.154 581 H CB 0.464 30.271 29.762 0.075 0.000 1.765 581 H HN -0.154 nan 8.280 nan 0.000 0.549 582 V N -0.796 119.295 119.914 0.295 0.000 3.178 582 V HA 0.251 4.371 4.120 0.001 0.000 0.306 582 V C -2.153 174.090 176.094 0.247 0.000 1.107 582 V CA -1.513 60.933 62.300 0.243 0.000 1.195 582 V CB -0.250 31.655 31.823 0.138 0.000 0.993 582 V HN 0.849 nan 8.190 nan 0.000 0.493 583 P HA 0.114 nan 4.420 nan 0.000 0.271 583 P C 0.016 177.316 177.300 -0.000 0.000 1.218 583 P CA 0.348 63.370 63.100 -0.131 0.000 0.780 583 P CB 0.341 31.742 31.700 -0.499 0.000 0.901 584 D N 0.000 120.421 120.400 0.036 0.000 6.856 584 D HA 0.000 4.641 4.640 0.001 0.000 0.175 584 D CA 0.000 54.013 54.000 0.021 0.000 0.868 584 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683