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 2hr7_1_B DATA FIRST_RESID 4 DATA SEQUENCE PGEVcPGMDI RNNLTRLHEL ENcSVIEGHL QILLMFKTRP EDFRDLSFPK DATA SEQUENCE LIMITDYLLL FRVYGLESLK DLFPNLTVIR GSRLFFNYAL VIFEMVHLKE DATA SEQUENCE LGLYNLMNIT RGSVRIEKNN ELcYLATIDW SRILDSVEDN HIVLNKDDNE DATA SEQUENCE EcGDIcPGTA KGXTNcPATV INGQFVERcW THSHcQKVcP TIcKSHGcTA DATA SEQUENCE EGLccHSECL GNcSQPDDPT KCVAcRNFYL DGRcVETcPP PYYHFQDWRc DATA SEQUENCE VNFSFCQDLH HKcKNSRRXG cHQYVIHNNK CIPEcPSGYT MNSSNLLcTP DATA SEQUENCE CLGPCPKVCH LLEGEKTIDS VTSAQELRGC TVINGSLIIN IRGGNNLAAE DATA SEQUENCE LEANLGLIEE ISGYLKIRRS YALVSLSFFR KLRLIRGETL EIGNYSFYAL DATA SEQUENCE DNQNLRQLWD WSKHNLTITQ GKLFFHYNPK LcLSEIHKME EVSGTKGRQE DATA SEQUENCE RNDIALKTNG DKAScEN 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.312 177.300 0.020 0.000 1.155 4 P CA 0.000 63.124 63.100 0.041 0.000 0.800 4 P CB 0.000 31.724 31.700 0.040 0.000 0.726 5 G N 0.026 108.841 108.800 0.024 0.000 2.340 5 G HA2 0.504 4.463 3.960 -0.001 0.000 0.298 5 G HA3 0.504 4.463 3.960 -0.001 0.000 0.298 5 G C -1.032 173.888 174.900 0.032 0.000 1.498 5 G CA 0.194 45.305 45.100 0.018 0.000 0.847 5 G HN 0.955 nan 8.290 nan 0.000 0.594 6 E N -0.282 119.939 120.200 0.035 0.000 2.277 6 E HA 0.561 4.910 4.350 -0.001 0.000 0.274 6 E C -0.579 176.049 176.600 0.047 0.000 1.022 6 E CA -0.681 55.749 56.400 0.050 0.000 0.853 6 E CB 1.669 31.397 29.700 0.047 0.000 1.086 6 E HN 0.275 nan 8.360 nan 0.000 0.397 7 V N 4.462 124.430 119.914 0.090 0.000 2.364 7 V HA 0.199 4.318 4.120 -0.001 0.000 0.272 7 V C -0.175 175.967 176.094 0.081 0.000 1.036 7 V CA -0.695 61.673 62.300 0.112 0.000 0.880 7 V CB 0.646 32.623 31.823 0.257 0.000 0.991 7 V HN 0.775 nan 8.190 nan 0.000 0.460 8 c N 7.624 126.235 118.600 0.019 0.000 2.397 8 c HA 0.609 5.178 4.570 -0.001 0.000 0.343 8 c C -1.900 172.181 174.090 -0.016 0.000 1.188 8 c CA -1.261 55.066 56.329 -0.004 0.000 1.992 8 c CB 1.660 44.141 42.510 -0.048 0.000 2.358 8 c HN 0.646 nan 8.230 nan 0.000 0.518 9 P HA 0.218 nan 4.420 nan 0.000 0.273 9 P C 0.007 177.235 177.300 -0.121 0.000 1.250 9 P CA 0.359 63.434 63.100 -0.042 0.000 0.793 9 P CB 0.386 32.072 31.700 -0.022 0.000 1.011 10 G N 0.492 109.177 108.800 -0.191 0.000 2.594 10 G HA2 0.446 4.405 3.960 -0.001 0.000 0.243 10 G HA3 0.446 4.405 3.960 -0.001 0.000 0.243 10 G C -0.325 174.424 174.900 -0.251 0.000 1.229 10 G CA -0.462 44.442 45.100 -0.327 0.000 0.843 10 G HN 0.420 nan 8.290 nan 0.000 0.578 11 M N 0.716 120.185 119.600 -0.219 0.000 2.501 11 M HA 0.280 4.760 4.480 -0.001 0.000 0.293 11 M C -1.720 174.572 176.300 -0.013 0.000 1.192 11 M CA -0.856 54.382 55.300 -0.103 0.000 0.886 11 M CB 2.876 35.424 32.600 -0.087 0.000 1.710 11 M HN 0.248 nan 8.290 nan 0.000 0.457 12 D N 3.466 123.890 120.400 0.040 0.000 2.441 12 D HA 0.497 5.136 4.640 -0.001 0.000 0.231 12 D C -0.786 175.550 176.300 0.060 0.000 1.073 12 D CA -0.015 54.040 54.000 0.092 0.000 0.850 12 D CB 1.256 42.133 40.800 0.128 0.000 1.062 12 D HN 0.442 nan 8.370 nan 0.000 0.524 13 I N 3.503 124.107 120.570 0.058 0.000 2.330 13 I HA 0.366 4.535 4.170 -0.001 0.000 0.289 13 I C 0.622 176.779 176.117 0.067 0.000 1.001 13 I CA -0.669 60.664 61.300 0.054 0.000 1.193 13 I CB 0.793 38.822 38.000 0.048 0.000 1.345 13 I HN 0.134 nan 8.210 nan 0.000 0.461 14 R N 3.929 124.467 120.500 0.062 0.000 2.905 14 R HA 0.643 4.983 4.340 -0.001 0.000 0.260 14 R C 0.018 176.347 176.300 0.050 0.000 1.086 14 R CA -0.667 55.468 56.100 0.058 0.000 0.978 14 R CB 1.289 31.632 30.300 0.072 0.000 1.215 14 R HN 0.686 nan 8.270 nan 0.000 0.480 15 N N -1.012 117.710 118.700 0.038 0.000 3.540 15 N HA -0.276 4.463 4.740 -0.001 0.000 0.224 15 N C -0.881 174.650 175.510 0.034 0.000 0.162 15 N CA 2.165 55.243 53.050 0.047 0.000 3.550 15 N CB -1.181 37.342 38.487 0.061 0.000 1.144 15 N HN 0.748 nan 8.380 nan 0.000 0.272 16 N N 0.761 119.483 118.700 0.037 0.000 2.402 16 N HA 0.427 5.167 4.740 -0.001 0.000 0.294 16 N C 0.039 175.570 175.510 0.037 0.000 1.203 16 N CA -0.535 52.531 53.050 0.027 0.000 0.838 16 N CB 0.959 39.462 38.487 0.027 0.000 1.306 16 N HN 0.177 nan 8.380 nan 0.000 0.510 17 L N 0.494 121.727 121.223 0.017 0.000 2.610 17 L HA 0.013 4.352 4.340 -0.001 0.000 0.232 17 L C 1.544 178.466 176.870 0.085 0.000 1.149 17 L CA 0.487 55.352 54.840 0.043 0.000 0.872 17 L CB -0.562 41.479 42.059 -0.030 0.000 0.992 17 L HN 0.563 nan 8.230 nan 0.000 0.447 18 T N -0.150 114.452 114.554 0.079 0.000 2.607 18 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 18 T C 1.910 176.760 174.700 0.251 0.000 1.049 18 T CA 1.401 63.575 62.100 0.123 0.000 1.162 18 T CB -0.147 68.771 68.868 0.083 0.000 0.863 18 T HN 0.374 nan 8.240 nan 0.000 0.424 19 R N 0.687 121.280 120.500 0.154 0.000 2.285 19 R HA 0.092 4.431 4.340 -0.001 0.000 0.213 19 R C 2.228 178.541 176.300 0.022 0.000 1.068 19 R CA 0.321 56.475 56.100 0.090 0.000 1.004 19 R CB -0.571 29.748 30.300 0.032 0.000 0.873 19 R HN 0.258 nan 8.270 nan 0.000 0.467 20 L N 1.788 123.070 121.223 0.099 0.000 2.127 20 L HA -0.202 4.137 4.340 -0.001 0.000 0.211 20 L C 2.438 179.351 176.870 0.072 0.000 1.089 20 L CA 1.747 56.623 54.840 0.060 0.000 0.757 20 L CB -0.592 41.561 42.059 0.156 0.000 0.899 20 L HN 0.314 nan 8.230 nan 0.000 0.434 21 H N -1.525 117.635 119.070 0.150 0.000 2.559 21 H HA -0.025 4.530 4.556 -0.001 0.000 0.273 21 H C 1.411 176.829 175.328 0.150 0.000 1.000 21 H CA 0.930 57.118 56.048 0.233 0.000 1.195 21 H CB -0.293 29.559 29.762 0.151 0.000 1.368 21 H HN 0.533 nan 8.280 nan 0.000 0.592 22 E N 1.033 120.900 120.200 -0.555 0.000 2.265 22 E HA -0.056 4.293 4.350 -0.001 0.000 0.196 22 E C 1.906 178.403 176.600 -0.171 0.000 0.996 22 E CA 0.596 56.761 56.400 -0.392 0.000 0.832 22 E CB 0.111 29.621 29.700 -0.316 0.000 0.756 22 E HN 0.527 nan 8.360 nan 0.000 0.491 23 L N 0.536 121.645 121.223 -0.188 0.000 2.552 23 L HA -0.043 4.296 4.340 -0.001 0.000 0.227 23 L C 2.154 179.064 176.870 0.066 0.000 1.146 23 L CA 0.236 54.949 54.840 -0.212 0.000 0.858 23 L CB -0.308 41.370 42.059 -0.635 0.000 0.969 23 L HN 0.099 nan 8.230 nan 0.000 0.451 24 E N 1.351 121.707 120.200 0.260 0.000 2.149 24 E HA -0.284 4.065 4.350 -0.001 0.000 0.215 24 E C 1.083 177.816 176.600 0.221 0.000 1.055 24 E CA 2.054 58.663 56.400 0.347 0.000 0.870 24 E CB 0.102 29.937 29.700 0.225 0.000 0.764 24 E HN 0.492 nan 8.360 nan 0.000 0.463 25 N N -0.924 117.852 118.700 0.126 0.000 2.214 25 N HA 0.092 4.831 4.740 -0.001 0.000 0.214 25 N C -1.052 174.492 175.510 0.057 0.000 1.132 25 N CA 0.035 53.136 53.050 0.085 0.000 0.856 25 N CB 0.391 38.917 38.487 0.065 0.000 1.020 25 N HN 0.073 nan 8.380 nan 0.000 0.509 26 c N 1.490 120.118 118.600 0.047 0.000 2.499 26 c HA 0.213 4.782 4.570 -0.001 0.000 0.386 26 c C 2.091 176.177 174.090 -0.006 0.000 1.293 26 c CA -0.588 55.742 56.329 0.002 0.000 1.884 26 c CB 0.208 42.691 42.510 -0.045 0.000 2.509 26 c HN 0.413 nan 8.230 nan 0.000 0.566 27 S N 1.711 117.392 115.700 -0.030 0.000 2.486 27 S HA 0.149 4.619 4.470 -0.001 0.000 0.220 27 S C 0.211 174.727 174.600 -0.140 0.000 1.011 27 S CA 0.169 58.330 58.200 -0.064 0.000 0.921 27 S CB -0.037 63.127 63.200 -0.061 0.000 0.785 27 S HN 0.578 nan 8.310 nan 0.000 0.517 28 V N 1.743 121.561 119.914 -0.160 0.000 2.733 28 V HA 0.462 4.581 4.120 -0.001 0.000 0.306 28 V C -1.030 174.927 176.094 -0.229 0.000 1.084 28 V CA -0.780 61.351 62.300 -0.281 0.000 0.905 28 V CB 1.933 33.478 31.823 -0.463 0.000 1.010 28 V HN 0.365 nan 8.190 nan 0.000 0.424 29 I N 3.395 123.803 120.570 -0.270 0.000 2.304 29 I HA 0.335 4.504 4.170 -0.001 0.000 0.291 29 I C 0.502 176.474 176.117 -0.242 0.000 1.018 29 I CA -0.106 61.061 61.300 -0.221 0.000 1.260 29 I CB 1.261 39.123 38.000 -0.231 0.000 1.390 29 I HN 0.702 nan 8.210 nan 0.000 0.475 30 E N 6.467 126.584 120.200 -0.138 0.000 1.932 30 E HA 0.490 4.839 4.350 -0.001 0.000 0.259 30 E C 0.128 176.679 176.600 -0.082 0.000 1.099 30 E CA -0.152 56.208 56.400 -0.067 0.000 0.970 30 E CB 0.195 29.988 29.700 0.155 0.000 1.143 30 E HN 0.884 nan 8.360 nan 0.000 0.441 31 G N 2.627 111.337 108.800 -0.149 0.000 2.339 31 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.275 31 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.275 31 G C -1.110 173.628 174.900 -0.270 0.000 1.323 31 G CA -0.590 44.385 45.100 -0.208 0.000 0.927 31 G HN 0.535 nan 8.290 nan 0.000 0.486 32 H N -1.177 117.702 119.070 -0.318 0.000 2.570 32 H HA 0.844 5.399 4.556 -0.001 0.000 0.342 32 H C -1.356 173.744 175.328 -0.380 0.000 1.245 32 H CA -0.832 54.891 56.048 -0.543 0.000 1.318 32 H CB 2.285 31.320 29.762 -1.211 0.000 1.694 32 H HN 0.773 nan 8.280 nan 0.000 0.592 33 L N 1.424 122.562 121.223 -0.141 0.000 2.404 33 L HA 0.261 4.600 4.340 -0.001 0.000 0.272 33 L C -1.026 175.851 176.870 0.012 0.000 0.980 33 L CA -0.223 54.575 54.840 -0.070 0.000 0.836 33 L CB 1.818 43.777 42.059 -0.167 0.000 1.238 33 L HN 0.676 nan 8.230 nan 0.000 0.408 34 Q N 5.894 125.754 119.800 0.101 0.000 2.322 34 Q HA 0.632 4.972 4.340 -0.001 0.000 0.265 34 Q C -1.190 174.857 176.000 0.080 0.000 0.985 34 Q CA -0.450 55.401 55.803 0.081 0.000 0.849 34 Q CB 2.620 31.412 28.738 0.088 0.000 1.274 34 Q HN 0.598 nan 8.270 nan 0.000 0.449 35 I N 5.125 125.748 120.570 0.087 0.000 2.410 35 I HA 0.496 4.666 4.170 -0.001 0.000 0.286 35 I C -0.529 175.648 176.117 0.100 0.000 1.009 35 I CA -0.757 60.602 61.300 0.099 0.000 1.111 35 I CB 0.939 39.015 38.000 0.126 0.000 1.262 35 I HN 0.456 nan 8.210 nan 0.000 0.443 36 L N 3.886 125.161 121.223 0.085 0.000 2.540 36 L HA 0.662 5.001 4.340 -0.001 0.000 0.256 36 L C -0.534 176.311 176.870 -0.042 0.000 1.001 36 L CA -1.273 53.613 54.840 0.077 0.000 0.843 36 L CB 2.169 44.363 42.059 0.226 0.000 1.436 36 L HN 0.529 nan 8.230 nan 0.000 0.410 37 L N 0.206 121.282 121.223 -0.246 0.000 3.632 37 L HA -0.151 4.188 4.340 -0.001 0.000 0.510 37 L C -0.792 175.787 176.870 -0.485 0.000 1.299 37 L CA 0.798 55.344 54.840 -0.490 0.000 0.829 37 L CB -1.485 40.553 42.059 -0.036 0.000 1.559 37 L HN 0.749 nan 8.230 nan 0.000 0.857 38 M N 0.013 119.259 119.600 -0.590 0.000 2.006 38 M HA 0.316 4.795 4.480 -0.001 0.000 0.314 38 M C 0.383 176.397 176.300 -0.476 0.000 0.926 38 M CA -0.130 54.985 55.300 -0.307 0.000 0.906 38 M CB 0.693 33.265 32.600 -0.046 0.000 1.422 38 M HN 0.131 nan 8.290 nan 0.000 0.397 39 F N 0.291 120.086 119.950 -0.258 0.000 2.698 39 F HA 0.131 4.658 4.527 -0.001 0.000 0.295 39 F C 1.940 177.593 175.800 -0.245 0.000 1.124 39 F CA 0.354 58.017 58.000 -0.561 0.000 1.426 39 F CB 0.224 38.915 39.000 -0.515 0.000 1.120 39 F HN 0.376 nan 8.300 nan 0.000 0.583 40 K N 0.269 120.714 120.400 0.075 0.000 2.361 40 K HA 0.118 4.437 4.320 -0.001 0.000 0.194 40 K C 0.666 177.327 176.600 0.103 0.000 1.032 40 K CA 0.374 56.715 56.287 0.090 0.000 1.048 40 K CB -0.490 32.046 32.500 0.060 0.000 0.842 40 K HN 0.216 nan 8.250 nan 0.000 0.526 41 T N 0.704 115.327 114.554 0.116 0.000 2.932 41 T HA 0.252 4.601 4.350 -0.001 0.000 0.312 41 T C 0.357 175.197 174.700 0.235 0.000 1.071 41 T CA -0.298 61.873 62.100 0.119 0.000 1.128 41 T CB 1.226 70.180 68.868 0.143 0.000 0.984 41 T HN -0.005 nan 8.240 nan 0.000 0.549 42 R N 2.344 122.936 120.500 0.154 0.000 2.836 42 R HA 0.332 4.671 4.340 -0.001 0.000 0.269 42 R C -2.228 174.192 176.300 0.201 0.000 1.010 42 R CA -2.334 53.869 56.100 0.172 0.000 0.930 42 R CB 1.243 31.590 30.300 0.079 0.000 1.218 42 R HN 0.294 nan 8.270 nan 0.000 0.473 43 P HA -0.291 nan 4.420 nan 0.000 0.217 43 P C 0.868 178.263 177.300 0.158 0.000 1.162 43 P CA 1.819 65.045 63.100 0.210 0.000 0.901 43 P CB 0.092 31.842 31.700 0.083 0.000 0.793 44 E N -0.442 119.796 120.200 0.064 0.000 2.169 44 E HA -0.273 4.077 4.350 -0.001 0.000 0.202 44 E C 1.395 177.978 176.600 -0.028 0.000 1.016 44 E CA 1.610 58.020 56.400 0.017 0.000 0.817 44 E CB -1.214 28.485 29.700 -0.002 0.000 0.736 44 E HN 0.300 nan 8.360 nan 0.000 0.462 45 D N -0.106 120.232 120.400 -0.104 0.000 2.218 45 D HA -0.101 4.539 4.640 -0.001 0.000 0.204 45 D C 1.479 177.555 176.300 -0.374 0.000 0.976 45 D CA 0.985 54.809 54.000 -0.293 0.000 0.853 45 D CB -0.110 40.389 40.800 -0.502 0.000 0.939 45 D HN 0.335 nan 8.370 nan 0.000 0.481 46 F N 0.274 120.227 119.950 0.005 0.000 2.678 46 F HA 0.215 4.741 4.527 -0.001 0.000 0.291 46 F C 2.355 178.138 175.800 -0.029 0.000 1.123 46 F CA -0.391 57.604 58.000 -0.007 0.000 1.395 46 F CB 0.160 39.160 39.000 0.001 0.000 1.121 46 F HN -0.303 nan 8.300 nan 0.000 0.592 47 R N 0.614 121.193 120.500 0.133 0.000 2.133 47 R HA -0.208 4.131 4.340 -0.001 0.000 0.245 47 R C 0.124 176.438 176.300 0.024 0.000 1.137 47 R CA 1.969 58.109 56.100 0.066 0.000 0.947 47 R CB -0.506 29.815 30.300 0.035 0.000 0.865 47 R HN 0.159 nan 8.270 nan 0.000 0.437 48 D N -0.136 120.262 120.400 -0.004 0.000 2.895 48 D HA 0.147 4.786 4.640 -0.001 0.000 0.258 48 D C -1.072 175.182 176.300 -0.076 0.000 1.311 48 D CA -0.065 53.913 54.000 -0.038 0.000 0.843 48 D CB 0.290 41.066 40.800 -0.040 0.000 1.055 48 D HN -0.073 nan 8.370 nan 0.000 0.486 49 L N 0.486 121.671 121.223 -0.064 0.000 2.319 49 L HA 0.574 4.913 4.340 -0.001 0.000 0.281 49 L C -0.767 175.965 176.870 -0.230 0.000 1.005 49 L CA -0.265 54.496 54.840 -0.132 0.000 0.828 49 L CB 1.689 43.761 42.059 0.022 0.000 1.227 49 L HN -0.164 nan 8.230 nan 0.000 0.415 50 S N 3.987 119.375 115.700 -0.520 0.000 2.543 50 S HA 0.664 5.134 4.470 -0.001 0.000 0.271 50 S C -1.317 172.801 174.600 -0.803 0.000 1.148 50 S CA -0.352 57.572 58.200 -0.460 0.000 0.914 50 S CB 0.637 63.696 63.200 -0.236 0.000 1.096 50 S HN 0.317 nan 8.310 nan 0.000 0.471 51 F N 4.692 124.618 119.950 -0.041 0.000 2.531 51 F HA 0.371 4.897 4.527 -0.001 0.000 0.333 51 F C -1.622 174.206 175.800 0.046 0.000 1.292 51 F CA -1.550 56.471 58.000 0.034 0.000 1.184 51 F CB 1.480 40.548 39.000 0.113 0.000 1.426 51 F HN 0.381 nan 8.300 nan 0.000 0.559 52 P HA -0.125 nan 4.420 nan 0.000 0.226 52 P C 0.971 178.303 177.300 0.052 0.000 1.153 52 P CA 1.092 64.221 63.100 0.048 0.000 0.777 52 P CB 0.326 32.032 31.700 0.010 0.000 0.794 53 K N -0.667 119.781 120.400 0.080 0.000 2.211 53 K HA -0.039 4.281 4.320 -0.001 0.000 0.203 53 K C 0.908 177.524 176.600 0.028 0.000 1.050 53 K CA 0.145 56.463 56.287 0.052 0.000 0.945 53 K CB -0.414 32.125 32.500 0.064 0.000 0.732 53 K HN 0.130 nan 8.250 nan 0.000 0.451 54 L N 2.216 123.477 121.223 0.063 0.000 2.456 54 L HA -0.011 4.329 4.340 -0.001 0.000 0.277 54 L C 0.744 177.575 176.870 -0.066 0.000 1.124 54 L CA 0.290 55.126 54.840 -0.006 0.000 0.880 54 L CB 0.368 42.442 42.059 0.024 0.000 1.192 54 L HN -0.007 nan 8.230 nan 0.000 0.463 55 I N 4.402 124.902 120.570 -0.116 0.000 3.172 55 I HA 0.223 4.392 4.170 -0.001 0.000 0.278 55 I C 0.517 176.526 176.117 -0.180 0.000 1.174 55 I CA 0.677 61.896 61.300 -0.136 0.000 1.445 55 I CB -0.393 37.530 38.000 -0.128 0.000 1.175 55 I HN 0.579 nan 8.210 nan 0.000 0.447 56 M N 0.484 119.946 119.600 -0.230 0.000 2.413 56 M HA 0.466 4.945 4.480 -0.001 0.000 0.287 56 M C -2.006 174.102 176.300 -0.320 0.000 1.186 56 M CA -0.381 54.754 55.300 -0.276 0.000 0.927 56 M CB 3.285 35.683 32.600 -0.336 0.000 1.715 56 M HN -0.177 nan 8.290 nan 0.000 0.478 57 I N 2.575 122.973 120.570 -0.286 0.000 2.406 57 I HA 0.290 4.459 4.170 -0.001 0.000 0.290 57 I C 1.204 177.171 176.117 -0.251 0.000 0.999 57 I CA -0.390 60.744 61.300 -0.277 0.000 1.124 57 I CB 2.286 40.140 38.000 -0.244 0.000 1.289 57 I HN 0.836 nan 8.210 nan 0.000 0.441 58 T N -0.174 114.213 114.554 -0.278 0.000 3.023 58 T HA 0.019 4.368 4.350 -0.001 0.000 0.266 58 T C 0.625 175.268 174.700 -0.095 0.000 1.093 58 T CA 0.889 62.854 62.100 -0.226 0.000 1.129 58 T CB 0.089 68.802 68.868 -0.258 0.000 0.899 58 T HN 0.482 nan 8.240 nan 0.000 0.491 59 D N 0.542 120.893 120.400 -0.081 0.000 3.180 59 D HA 0.325 4.964 4.640 -0.001 0.000 0.226 59 D C -0.204 176.151 176.300 0.092 0.000 1.252 59 D CA 0.082 54.096 54.000 0.023 0.000 1.287 59 D CB 0.033 40.831 40.800 -0.003 0.000 0.919 59 D HN 0.573 nan 8.370 nan 0.000 0.186 60 Y N -0.836 119.501 120.300 0.062 0.000 2.609 60 Y HA 0.678 5.227 4.550 -0.001 0.000 0.342 60 Y C -1.528 174.380 175.900 0.014 0.000 1.058 60 Y CA -1.565 56.560 58.100 0.042 0.000 1.055 60 Y CB 1.043 39.551 38.460 0.079 0.000 1.292 60 Y HN 0.006 nan 8.280 nan 0.000 0.476 61 L N 3.574 124.906 121.223 0.181 0.000 2.325 61 L HA 0.688 5.027 4.340 -0.001 0.000 0.281 61 L C -1.716 175.244 176.870 0.150 0.000 1.004 61 L CA -0.923 53.954 54.840 0.062 0.000 0.823 61 L CB 1.394 43.428 42.059 -0.042 0.000 1.236 61 L HN 0.866 nan 8.230 nan 0.000 0.415 62 L N 6.046 127.338 121.223 0.116 0.000 2.385 62 L HA 0.691 5.030 4.340 -0.001 0.000 0.273 62 L C -1.825 175.072 176.870 0.044 0.000 0.990 62 L CA -0.498 54.363 54.840 0.034 0.000 0.821 62 L CB 1.609 43.619 42.059 -0.082 0.000 1.279 62 L HN 0.634 nan 8.230 nan 0.000 0.412 63 L N 5.812 127.075 121.223 0.067 0.000 2.372 63 L HA 0.506 4.846 4.340 -0.001 0.000 0.274 63 L C -1.255 175.733 176.870 0.196 0.000 0.988 63 L CA -0.333 54.576 54.840 0.115 0.000 0.833 63 L CB 1.865 43.988 42.059 0.107 0.000 1.236 63 L HN 0.546 nan 8.230 nan 0.000 0.410 64 F N 3.889 123.839 119.950 0.000 0.000 2.539 64 F HA 0.493 5.019 4.527 -0.001 0.000 0.328 64 F C 0.405 176.218 175.800 0.022 0.000 1.148 64 F CA -0.559 57.459 58.000 0.030 0.000 0.940 64 F CB 0.901 39.874 39.000 -0.045 0.000 1.194 64 F HN 0.498 nan 8.300 nan 0.000 0.438 65 R N 3.330 123.624 120.500 -0.344 0.000 3.264 65 R HA -0.110 4.229 4.340 -0.001 0.000 0.251 65 R C -1.527 174.607 176.300 -0.277 0.000 0.971 65 R CA 0.391 56.256 56.100 -0.392 0.000 0.658 65 R CB -1.791 28.049 30.300 -0.767 0.000 1.095 65 R HN 0.326 nan 8.270 nan 0.000 0.443 66 V N 2.723 122.590 119.914 -0.079 0.000 2.311 66 V HA 0.240 4.360 4.120 -0.001 0.000 0.275 66 V C 0.175 176.359 176.094 0.150 0.000 1.022 66 V CA -0.571 61.737 62.300 0.013 0.000 0.830 66 V CB 0.623 32.461 31.823 0.025 0.000 1.012 66 V HN 0.095 nan 8.190 nan 0.000 0.452 67 Y N 2.655 122.918 120.300 -0.060 0.000 2.336 67 Y HA 0.562 5.111 4.550 -0.001 0.000 0.331 67 Y C 1.516 177.619 175.900 0.338 0.000 1.211 67 Y CA 0.459 58.604 58.100 0.075 0.000 1.346 67 Y CB 1.141 39.677 38.460 0.127 0.000 1.271 67 Y HN 0.800 nan 8.280 nan 0.000 0.538 68 G N 1.080 110.314 108.800 0.722 0.000 2.268 68 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.240 68 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.240 68 G C -0.349 174.699 174.900 0.247 0.000 1.010 68 G CA -0.071 45.321 45.100 0.486 0.000 0.618 68 G HN 0.556 nan 8.290 nan 0.000 0.516 69 L N 1.782 122.969 121.223 -0.059 0.000 2.281 69 L HA 0.653 4.992 4.340 -0.001 0.000 0.285 69 L C 1.093 177.869 176.870 -0.156 0.000 1.074 69 L CA 0.247 54.813 54.840 -0.457 0.000 0.817 69 L CB 0.861 42.424 42.059 -0.825 0.000 1.168 69 L HN 0.315 nan 8.230 nan 0.000 0.434 70 E N 1.953 122.092 120.200 -0.101 0.000 2.447 70 E HA 0.191 4.541 4.350 -0.001 0.000 0.204 70 E C -0.087 176.507 176.600 -0.011 0.000 0.977 70 E CA 0.010 56.400 56.400 -0.017 0.000 0.950 70 E CB 0.726 30.433 29.700 0.012 0.000 0.975 70 E HN 0.540 nan 8.360 nan 0.000 0.496 71 S N -0.330 115.342 115.700 -0.046 0.000 2.565 71 S HA 0.335 4.805 4.470 -0.001 0.000 0.269 71 S C -0.629 173.940 174.600 -0.051 0.000 1.153 71 S CA -0.670 57.523 58.200 -0.012 0.000 0.835 71 S CB 0.837 64.046 63.200 0.015 0.000 1.122 71 S HN 0.114 nan 8.310 nan 0.000 0.462 72 L N 3.045 124.263 121.223 -0.008 0.000 2.667 72 L HA 0.303 4.642 4.340 -0.001 0.000 0.232 72 L C 2.098 178.947 176.870 -0.035 0.000 1.138 72 L CA -0.031 54.791 54.840 -0.030 0.000 0.921 72 L CB -0.264 41.840 42.059 0.074 0.000 1.180 72 L HN 0.751 nan 8.230 nan 0.000 0.487 73 K N -0.540 119.864 120.400 0.007 0.000 2.280 73 K HA -0.132 4.188 4.320 -0.001 0.000 0.202 73 K C 0.822 177.456 176.600 0.055 0.000 1.047 73 K CA 1.454 57.780 56.287 0.065 0.000 0.942 73 K CB 0.054 32.629 32.500 0.125 0.000 0.739 73 K HN 0.191 nan 8.250 nan 0.000 0.457 74 D N 0.607 121.001 120.400 -0.009 0.000 2.338 74 D HA 0.073 4.713 4.640 -0.001 0.000 0.208 74 D C 1.978 178.213 176.300 -0.109 0.000 0.997 74 D CA 0.272 54.254 54.000 -0.029 0.000 0.880 74 D CB 0.217 41.007 40.800 -0.017 0.000 0.980 74 D HN 0.150 nan 8.370 nan 0.000 0.509 75 L N -0.389 120.709 121.223 -0.208 0.000 2.005 75 L HA -0.052 4.288 4.340 -0.001 0.000 0.207 75 L C 0.565 177.158 176.870 -0.462 0.000 1.072 75 L CA 1.219 55.794 54.840 -0.442 0.000 0.744 75 L CB -0.008 41.537 42.059 -0.856 0.000 0.895 75 L HN -0.068 nan 8.230 nan 0.000 0.433 76 F N -0.894 119.065 119.950 0.015 0.000 2.542 76 F HA 0.264 4.790 4.527 -0.001 0.000 0.323 76 F C -1.574 174.098 175.800 -0.214 0.000 1.411 76 F CA -1.495 56.468 58.000 -0.060 0.000 1.124 76 F CB 0.285 39.238 39.000 -0.079 0.000 1.331 76 F HN -0.058 nan 8.300 nan 0.000 0.560 77 P HA -0.116 nan 4.420 nan 0.000 0.220 77 P C 0.456 177.405 177.300 -0.584 0.000 1.148 77 P CA 1.431 64.301 63.100 -0.384 0.000 0.803 77 P CB 0.386 32.024 31.700 -0.103 0.000 0.782 78 N N -0.654 117.882 118.700 -0.272 0.000 2.203 78 N HA 0.085 4.825 4.740 -0.001 0.000 0.207 78 N C 0.373 175.765 175.510 -0.196 0.000 1.130 78 N CA -0.328 52.580 53.050 -0.236 0.000 0.861 78 N CB 0.172 38.590 38.487 -0.115 0.000 1.005 78 N HN 0.133 nan 8.380 nan 0.000 0.507 79 L N 1.515 122.623 121.223 -0.192 0.000 2.534 79 L HA 0.081 4.420 4.340 -0.001 0.000 0.271 79 L C 0.915 177.658 176.870 -0.212 0.000 1.178 79 L CA 0.976 55.702 54.840 -0.190 0.000 0.907 79 L CB 0.486 42.420 42.059 -0.208 0.000 1.164 79 L HN -0.062 nan 8.230 nan 0.000 0.482 80 T N 3.093 117.548 114.554 -0.165 0.000 3.026 80 T HA 0.262 4.611 4.350 -0.001 0.000 0.245 80 T C 0.019 174.667 174.700 -0.087 0.000 1.004 80 T CA 0.232 62.255 62.100 -0.128 0.000 1.069 80 T CB 0.422 69.231 68.868 -0.099 0.000 1.005 80 T HN 0.282 nan 8.240 nan 0.000 0.472 81 V N 2.253 122.107 119.914 -0.099 0.000 2.577 81 V HA 0.516 4.635 4.120 -0.001 0.000 0.303 81 V C -1.068 174.966 176.094 -0.100 0.000 1.042 81 V CA -1.008 61.247 62.300 -0.076 0.000 0.872 81 V CB 2.098 33.875 31.823 -0.077 0.000 0.998 81 V HN 0.302 nan 8.190 nan 0.000 0.423 82 I N 4.788 125.327 120.570 -0.052 0.000 2.330 82 I HA 0.459 4.629 4.170 -0.001 0.000 0.289 82 I C 1.263 177.366 176.117 -0.024 0.000 1.001 82 I CA -0.382 60.889 61.300 -0.048 0.000 1.193 82 I CB 1.477 39.477 38.000 -0.001 0.000 1.345 82 I HN 0.599 nan 8.210 nan 0.000 0.461 83 R N 4.003 124.471 120.500 -0.053 0.000 2.119 83 R HA 0.077 4.416 4.340 -0.001 0.000 0.222 83 R C 1.389 177.693 176.300 0.006 0.000 1.088 83 R CA 0.700 56.780 56.100 -0.033 0.000 0.984 83 R CB -0.032 30.229 30.300 -0.066 0.000 0.884 83 R HN 1.001 nan 8.270 nan 0.000 0.447 84 G N 0.888 109.706 108.800 0.030 0.000 2.221 84 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.265 84 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.265 84 G C 0.693 175.625 174.900 0.054 0.000 1.041 84 G CA 0.571 45.712 45.100 0.069 0.000 0.807 84 G HN 0.328 nan 8.290 nan 0.000 0.502 85 S N -0.609 115.116 115.700 0.041 0.000 2.383 85 S HA -0.000 4.469 4.470 -0.001 0.000 0.229 85 S C 1.440 176.073 174.600 0.054 0.000 1.030 85 S CA 1.343 59.567 58.200 0.039 0.000 1.002 85 S CB 0.072 63.294 63.200 0.037 0.000 0.829 85 S HN 0.757 nan 8.310 nan 0.000 0.467 86 R N -0.108 120.451 120.500 0.098 0.000 2.740 86 R HA 0.697 5.036 4.340 -0.001 0.000 0.282 86 R C -1.112 175.347 176.300 0.264 0.000 0.969 86 R CA -0.467 55.719 56.100 0.145 0.000 0.918 86 R CB 1.444 31.851 30.300 0.178 0.000 1.175 86 R HN 0.114 nan 8.270 nan 0.000 0.464 87 L N 1.277 122.599 121.223 0.164 0.000 2.301 87 L HA 0.520 4.859 4.340 -0.001 0.000 0.264 87 L C -0.817 175.939 176.870 -0.191 0.000 1.016 87 L CA -0.997 53.881 54.840 0.064 0.000 0.821 87 L CB 1.475 43.507 42.059 -0.046 0.000 1.346 87 L HN 0.465 nan 8.230 nan 0.000 0.429 88 F N 1.681 121.222 119.950 -0.681 0.000 2.368 88 F HA 0.286 4.812 4.527 -0.001 0.000 0.362 88 F C 0.656 176.376 175.800 -0.134 0.000 1.137 88 F CA -0.251 57.345 58.000 -0.674 0.000 1.161 88 F CB 0.004 38.422 39.000 -0.971 0.000 1.265 88 F HN 0.438 nan 8.300 nan 0.000 0.530 89 F N 3.124 122.676 119.950 -0.663 0.000 2.234 89 F HA -0.523 4.003 4.527 -0.001 0.000 0.468 89 F C 0.830 176.436 175.800 -0.323 0.000 1.173 89 F CA 2.493 60.231 58.000 -0.436 0.000 1.733 89 F CB -0.722 38.041 39.000 -0.394 0.000 1.012 89 F HN 0.498 nan 8.300 nan 0.000 0.223 90 N N -0.639 117.907 118.700 -0.256 0.000 2.238 90 N HA 0.197 4.937 4.740 -0.001 0.000 0.235 90 N C -1.438 173.867 175.510 -0.341 0.000 1.209 90 N CA 0.089 52.928 53.050 -0.352 0.000 0.879 90 N CB 0.216 38.473 38.487 -0.383 0.000 1.136 90 N HN 0.375 nan 8.380 nan 0.000 0.517 91 Y N -0.128 120.187 120.300 0.025 0.000 2.323 91 Y HA 0.490 5.039 4.550 -0.001 0.000 0.331 91 Y C 1.252 177.160 175.900 0.013 0.000 1.092 91 Y CA -0.705 57.409 58.100 0.024 0.000 1.150 91 Y CB 1.592 40.084 38.460 0.054 0.000 1.200 91 Y HN -0.029 nan 8.280 nan 0.000 0.472 92 A N 2.819 125.762 122.820 0.205 0.000 2.115 92 A HA 0.221 4.541 4.320 -0.001 0.000 0.211 92 A C -0.241 177.462 177.584 0.200 0.000 1.169 92 A CA 0.424 52.580 52.037 0.199 0.000 0.787 92 A CB 0.314 19.398 19.000 0.140 0.000 0.858 92 A HN 0.553 nan 8.150 nan 0.000 0.474 93 L N 0.135 121.449 121.223 0.152 0.000 2.439 93 L HA 0.622 4.961 4.340 -0.001 0.000 0.270 93 L C -1.573 175.314 176.870 0.029 0.000 0.972 93 L CA -0.506 54.394 54.840 0.099 0.000 0.836 93 L CB 2.239 44.349 42.059 0.086 0.000 1.255 93 L HN -0.102 nan 8.230 nan 0.000 0.404 94 V N 6.397 126.314 119.914 0.006 0.000 2.483 94 V HA 0.578 4.697 4.120 -0.001 0.000 0.297 94 V C -0.604 175.499 176.094 0.016 0.000 1.027 94 V CA -0.446 61.814 62.300 -0.067 0.000 0.855 94 V CB 1.823 33.525 31.823 -0.201 0.000 0.995 94 V HN 0.517 nan 8.190 nan 0.000 0.424 95 I N 5.631 126.236 120.570 0.059 0.000 2.448 95 I HA 0.480 4.649 4.170 -0.001 0.000 0.281 95 I C -1.041 175.175 176.117 0.164 0.000 1.027 95 I CA -0.219 61.145 61.300 0.107 0.000 1.111 95 I CB 1.315 39.367 38.000 0.087 0.000 1.236 95 I HN 0.596 nan 8.210 nan 0.000 0.452 96 F N 5.312 125.293 119.950 0.053 0.000 2.585 96 F HA 0.349 4.875 4.527 -0.001 0.000 0.319 96 F C 0.504 176.374 175.800 0.117 0.000 1.165 96 F CA -0.211 57.850 58.000 0.100 0.000 0.949 96 F CB 1.187 40.276 39.000 0.148 0.000 1.218 96 F HN 0.590 nan 8.300 nan 0.000 0.453 97 E N 5.350 125.457 120.200 -0.156 0.000 2.228 97 E HA -0.197 4.153 4.350 -0.001 0.000 0.213 97 E C -0.770 175.773 176.600 -0.096 0.000 1.282 97 E CA 0.240 56.571 56.400 -0.115 0.000 0.707 97 E CB -0.627 29.077 29.700 0.006 0.000 1.150 97 E HN 0.379 nan 8.360 nan 0.000 0.362 98 M N 1.140 120.680 119.600 -0.100 0.000 2.261 98 M HA 0.090 4.569 4.480 -0.001 0.000 0.349 98 M C 1.515 177.680 176.300 -0.225 0.000 1.305 98 M CA -0.005 55.218 55.300 -0.129 0.000 1.240 98 M CB 0.582 33.148 32.600 -0.056 0.000 1.394 98 M HN 0.172 nan 8.290 nan 0.000 0.438 99 V N 0.648 120.305 119.914 -0.428 0.000 3.041 99 V HA -0.112 4.007 4.120 -0.001 0.000 0.260 99 V C 1.121 176.916 176.094 -0.497 0.000 1.105 99 V CA 1.455 63.423 62.300 -0.554 0.000 1.125 99 V CB -1.096 30.208 31.823 -0.866 0.000 0.730 99 V HN 0.866 nan 8.190 nan 0.000 0.479 100 H N -0.761 118.194 119.070 -0.192 0.000 2.652 100 H HA 0.453 5.009 4.556 -0.001 0.000 0.274 100 H C 0.417 175.699 175.328 -0.076 0.000 1.021 100 H CA -0.619 55.356 56.048 -0.121 0.000 1.187 100 H CB 0.852 30.554 29.762 -0.100 0.000 1.505 100 H HN 0.357 nan 8.280 nan 0.000 0.530 101 L N 2.206 123.427 121.223 -0.004 0.000 2.361 101 L HA 0.047 4.386 4.340 -0.001 0.000 0.278 101 L C 0.751 177.643 176.870 0.037 0.000 1.113 101 L CA 0.454 55.298 54.840 0.006 0.000 0.849 101 L CB 0.557 42.609 42.059 -0.010 0.000 1.155 101 L HN 0.054 nan 8.230 nan 0.000 0.452 102 K N 3.561 123.998 120.400 0.062 0.000 2.335 102 K HA 0.142 4.461 4.320 -0.001 0.000 0.195 102 K C -0.292 176.404 176.600 0.161 0.000 1.058 102 K CA 0.381 56.725 56.287 0.095 0.000 0.988 102 K CB 0.611 33.166 32.500 0.091 0.000 0.880 102 K HN 0.777 nan 8.250 nan 0.000 0.513 103 E N -0.136 120.154 120.200 0.151 0.000 2.433 103 E HA 0.212 4.561 4.350 -0.001 0.000 0.278 103 E C 0.348 177.055 176.600 0.178 0.000 0.976 103 E CA -0.580 55.941 56.400 0.202 0.000 0.793 103 E CB 1.045 30.822 29.700 0.127 0.000 1.311 103 E HN -0.209 nan 8.360 nan 0.000 0.460 104 L N 0.701 122.079 121.223 0.259 0.000 2.034 104 L HA 0.129 4.468 4.340 -0.001 0.000 0.203 104 L C 1.510 178.505 176.870 0.209 0.000 1.074 104 L CA 1.269 56.273 54.840 0.274 0.000 0.748 104 L CB -0.779 41.553 42.059 0.456 0.000 0.905 104 L HN 1.062 nan 8.230 nan 0.000 0.439 105 G N 0.767 109.743 108.800 0.293 0.000 2.221 105 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.265 105 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.265 105 G C 0.217 175.055 174.900 -0.103 0.000 1.041 105 G CA -0.054 45.142 45.100 0.159 0.000 0.807 105 G HN 0.268 nan 8.290 nan 0.000 0.502 106 L N 1.045 122.001 121.223 -0.446 0.000 2.536 106 L HA 0.285 4.624 4.340 -0.001 0.000 0.242 106 L C 1.830 177.782 176.870 -1.530 0.000 1.280 106 L CA -0.821 53.542 54.840 -0.795 0.000 1.221 106 L CB -0.575 41.158 42.059 -0.543 0.000 1.449 106 L HN 0.493 nan 8.230 nan 0.000 0.405 107 Y N -1.918 117.707 120.300 -1.124 0.000 2.616 107 Y HA 0.051 4.601 4.550 -0.001 0.000 0.296 107 Y C 1.564 177.069 175.900 -0.657 0.000 1.154 107 Y CA 0.209 57.619 58.100 -1.151 0.000 1.325 107 Y CB -0.487 37.588 38.460 -0.642 0.000 1.007 107 Y HN 0.338 nan 8.280 nan 0.000 0.542 108 N N 0.610 118.822 118.700 -0.812 0.000 2.236 108 N HA 0.066 4.805 4.740 -0.001 0.000 0.196 108 N C -0.455 174.865 175.510 -0.317 0.000 1.114 108 N CA -0.060 52.719 53.050 -0.453 0.000 0.859 108 N CB 0.359 38.572 38.487 -0.458 0.000 0.982 108 N HN 0.269 nan 8.380 nan 0.000 0.493 109 L N 2.062 123.041 121.223 -0.407 0.000 2.407 109 L HA 0.146 4.485 4.340 -0.001 0.000 0.282 109 L C 1.077 177.956 176.870 0.015 0.000 1.110 109 L CA 0.275 55.003 54.840 -0.188 0.000 0.863 109 L CB 0.420 42.360 42.059 -0.198 0.000 1.207 109 L HN -0.066 nan 8.230 nan 0.000 0.454 110 M N 2.560 122.173 119.600 0.022 0.000 2.615 110 M HA 0.239 4.718 4.480 -0.001 0.000 0.262 110 M C 0.366 176.714 176.300 0.079 0.000 1.198 110 M CA 0.541 55.879 55.300 0.062 0.000 1.165 110 M CB -0.453 32.167 32.600 0.033 0.000 1.310 110 M HN 0.638 nan 8.290 nan 0.000 0.494 111 N N 0.405 119.147 118.700 0.069 0.000 2.425 111 N HA 0.360 5.099 4.740 -0.001 0.000 0.289 111 N C -1.988 173.570 175.510 0.080 0.000 1.074 111 N CA -0.171 52.923 53.050 0.074 0.000 0.905 111 N CB 2.480 40.992 38.487 0.042 0.000 1.586 111 N HN 0.027 nan 8.380 nan 0.000 0.490 112 I N 2.851 123.489 120.570 0.113 0.000 2.328 112 I HA 0.167 4.337 4.170 -0.001 0.000 0.287 112 I C 1.324 177.483 176.117 0.069 0.000 1.012 112 I CA -0.270 61.088 61.300 0.098 0.000 1.195 112 I CB 1.617 39.703 38.000 0.143 0.000 1.350 112 I HN 0.505 nan 8.210 nan 0.000 0.464 113 T N 4.585 119.164 114.554 0.042 0.000 2.985 113 T HA 0.036 4.385 4.350 -0.001 0.000 0.266 113 T C 0.761 175.477 174.700 0.025 0.000 1.076 113 T CA 0.775 62.892 62.100 0.028 0.000 1.135 113 T CB -0.035 68.839 68.868 0.010 0.000 0.890 113 T HN 0.507 nan 8.240 nan 0.000 0.480 114 R N -0.469 120.049 120.500 0.029 0.000 2.594 114 R HA 0.496 4.835 4.340 -0.001 0.000 0.265 114 R C -0.784 175.532 176.300 0.026 0.000 1.070 114 R CA 0.208 56.320 56.100 0.019 0.000 0.909 114 R CB 1.334 31.640 30.300 0.011 0.000 1.243 114 R HN 0.322 nan 8.270 nan 0.000 0.455 115 G N 1.160 109.963 108.800 0.005 0.000 2.710 115 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.668 115 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.668 115 G C -1.142 173.771 174.900 0.022 0.000 1.320 115 G CA -0.304 44.794 45.100 -0.004 0.000 0.860 115 G HN 0.666 nan 8.290 nan 0.000 0.538 116 S N -2.092 113.630 115.700 0.036 0.000 2.806 116 S HA 0.842 5.311 4.470 -0.001 0.000 0.315 116 S C -0.325 174.396 174.600 0.202 0.000 1.127 116 S CA -0.333 57.922 58.200 0.092 0.000 0.918 116 S CB 2.053 65.296 63.200 0.072 0.000 1.240 116 S HN 1.272 nan 8.310 nan 0.000 0.552 117 V N 1.410 121.389 119.914 0.108 0.000 2.555 117 V HA 0.632 4.751 4.120 -0.001 0.000 0.302 117 V C -0.495 175.544 176.094 -0.093 0.000 1.038 117 V CA -0.624 61.631 62.300 -0.075 0.000 0.887 117 V CB 1.611 33.130 31.823 -0.507 0.000 0.991 117 V HN 0.729 nan 8.190 nan 0.000 0.434 118 R N 4.626 124.981 120.500 -0.242 0.000 2.435 118 R HA 0.693 5.033 4.340 -0.001 0.000 0.308 118 R C -1.586 174.618 176.300 -0.159 0.000 0.975 118 R CA -0.231 55.662 56.100 -0.344 0.000 0.867 118 R CB 1.010 30.777 30.300 -0.888 0.000 1.171 118 R HN 0.724 nan 8.270 nan 0.000 0.470 119 I N 3.602 124.109 120.570 -0.105 0.000 2.448 119 I HA 0.364 4.533 4.170 -0.001 0.000 0.281 119 I C -0.874 175.196 176.117 -0.078 0.000 1.027 119 I CA -0.433 60.833 61.300 -0.056 0.000 1.111 119 I CB 1.829 39.804 38.000 -0.041 0.000 1.236 119 I HN 0.633 nan 8.210 nan 0.000 0.452 120 E N 6.709 126.845 120.200 -0.107 0.000 2.321 120 E HA 0.360 4.709 4.350 -0.001 0.000 0.278 120 E C -0.986 175.341 176.600 -0.454 0.000 0.902 120 E CA -0.687 55.576 56.400 -0.229 0.000 0.758 120 E CB 1.468 31.100 29.700 -0.113 0.000 1.213 120 E HN 0.432 nan 8.360 nan 0.000 0.426 121 K N 2.364 122.557 120.400 -0.346 0.000 3.162 121 K HA -0.133 4.186 4.320 -0.001 0.000 0.268 121 K C -1.082 175.355 176.600 -0.271 0.000 1.062 121 K CA 0.663 56.745 56.287 -0.343 0.000 0.769 121 K CB -1.270 30.920 32.500 -0.516 0.000 1.274 121 K HN 0.523 nan 8.250 nan 0.000 0.478 122 N N 1.049 119.640 118.700 -0.182 0.000 2.621 122 N HA 0.102 4.841 4.740 -0.001 0.000 0.237 122 N C 0.017 175.471 175.510 -0.093 0.000 0.997 122 N CA -0.437 52.536 53.050 -0.128 0.000 0.918 122 N CB 1.231 39.669 38.487 -0.081 0.000 1.122 122 N HN 0.185 nan 8.380 nan 0.000 0.510 123 N N 0.752 119.393 118.700 -0.100 0.000 2.494 123 N HA -0.043 4.696 4.740 -0.001 0.000 0.182 123 N C 0.476 175.960 175.510 -0.044 0.000 1.076 123 N CA 0.745 53.752 53.050 -0.072 0.000 0.908 123 N CB 0.393 38.834 38.487 -0.076 0.000 0.967 123 N HN 0.389 nan 8.380 nan 0.000 0.449 124 E N -0.053 120.127 120.200 -0.034 0.000 2.465 124 E HA 0.078 4.427 4.350 -0.001 0.000 0.195 124 E C -0.574 176.036 176.600 0.016 0.000 1.028 124 E CA -0.199 56.199 56.400 -0.003 0.000 0.899 124 E CB 0.152 29.862 29.700 0.017 0.000 1.032 124 E HN 0.183 nan 8.360 nan 0.000 0.468 125 L N 1.171 122.399 121.223 0.009 0.000 2.278 125 L HA 0.209 4.548 4.340 -0.001 0.000 0.287 125 L C -0.441 176.461 176.870 0.054 0.000 1.072 125 L CA -0.115 54.751 54.840 0.043 0.000 0.819 125 L CB 0.384 42.463 42.059 0.033 0.000 1.176 125 L HN -0.059 nan 8.230 nan 0.000 0.435 126 c N 2.724 121.386 118.600 0.104 0.000 2.967 126 c HA 0.469 5.038 4.570 -0.001 0.000 0.372 126 c C -0.330 173.882 174.090 0.204 0.000 1.455 126 c CA -0.615 55.758 56.329 0.073 0.000 1.638 126 c CB 0.964 43.476 42.510 0.003 0.000 2.096 126 c HN 0.825 nan 8.230 nan 0.000 0.466 127 Y N -0.122 120.196 120.300 0.030 0.000 3.477 127 Y HA -0.193 4.357 4.550 -0.001 0.000 0.216 127 Y C 0.859 176.752 175.900 -0.011 0.000 1.296 127 Y CA 0.257 58.367 58.100 0.016 0.000 1.535 127 Y CB -1.700 36.800 38.460 0.065 0.000 1.482 127 Y HN 0.490 nan 8.280 nan 0.000 0.597 128 L N -1.876 119.400 121.223 0.088 0.000 2.433 128 L HA 0.151 4.490 4.340 -0.001 0.000 0.200 128 L C 2.406 179.297 176.870 0.035 0.000 1.059 128 L CA 0.818 55.715 54.840 0.096 0.000 0.835 128 L CB -0.525 41.605 42.059 0.119 0.000 1.076 128 L HN 0.333 nan 8.230 nan 0.000 0.481 129 A N 0.613 123.432 122.820 -0.002 0.000 2.032 129 A HA -0.213 4.106 4.320 -0.001 0.000 0.221 129 A C 2.176 179.716 177.584 -0.073 0.000 1.165 129 A CA 2.321 54.339 52.037 -0.031 0.000 0.645 129 A CB -0.925 18.047 19.000 -0.046 0.000 0.807 129 A HN 0.537 nan 8.150 nan 0.000 0.453 130 T N -2.378 112.118 114.554 -0.096 0.000 3.129 130 T HA 0.375 4.724 4.350 -0.001 0.000 0.251 130 T C 0.519 175.046 174.700 -0.287 0.000 1.117 130 T CA -0.028 61.995 62.100 -0.128 0.000 1.034 130 T CB -0.437 68.412 68.868 -0.031 0.000 0.968 130 T HN 0.298 nan 8.240 nan 0.000 0.526 131 I N 2.314 122.636 120.570 -0.414 0.000 2.365 131 I HA 0.303 4.472 4.170 -0.001 0.000 0.291 131 I C -0.276 175.492 176.117 -0.581 0.000 1.004 131 I CA -0.791 60.037 61.300 -0.787 0.000 1.311 131 I CB 1.109 38.336 38.000 -1.287 0.000 1.401 131 I HN -0.022 nan 8.210 nan 0.000 0.491 132 D N 5.913 126.013 120.400 -0.499 0.000 2.456 132 D HA 0.111 4.750 4.640 -0.001 0.000 0.219 132 D C 0.403 176.545 176.300 -0.264 0.000 1.126 132 D CA -0.291 53.545 54.000 -0.273 0.000 0.890 132 D CB 0.469 41.172 40.800 -0.162 0.000 1.025 132 D HN 0.383 nan 8.370 nan 0.000 0.511 133 W N 1.852 123.121 121.300 -0.051 0.000 2.519 133 W HA -0.111 4.548 4.660 -0.001 0.000 0.266 133 W C 2.508 179.033 176.519 0.010 0.000 1.253 133 W CA 0.624 57.966 57.345 -0.005 0.000 1.274 133 W CB -0.083 29.382 29.460 0.008 0.000 1.114 133 W HN 0.450 nan 8.180 nan 0.000 0.596 134 S N 0.196 115.997 115.700 0.169 0.000 2.474 134 S HA -0.117 4.353 4.470 -0.001 0.000 0.235 134 S C 1.740 176.383 174.600 0.072 0.000 0.997 134 S CA 0.611 58.874 58.200 0.105 0.000 0.949 134 S CB -0.178 63.056 63.200 0.056 0.000 0.766 134 S HN 0.118 nan 8.310 nan 0.000 0.517 135 R N 0.882 121.412 120.500 0.049 0.000 2.200 135 R HA 0.377 4.716 4.340 -0.001 0.000 0.208 135 R C 1.799 178.141 176.300 0.070 0.000 1.033 135 R CA 0.576 56.698 56.100 0.036 0.000 1.000 135 R CB -0.799 29.504 30.300 0.004 0.000 0.906 135 R HN 0.548 nan 8.270 nan 0.000 0.462 136 I N -0.402 120.245 120.570 0.128 0.000 3.172 136 I HA 0.054 4.223 4.170 -0.001 0.000 0.278 136 I C -0.158 176.072 176.117 0.188 0.000 1.174 136 I CA 0.295 61.705 61.300 0.184 0.000 1.445 136 I CB 0.272 38.447 38.000 0.291 0.000 1.175 136 I HN -0.124 nan 8.210 nan 0.000 0.447 137 L N -0.034 121.308 121.223 0.198 0.000 2.381 137 L HA 0.341 4.681 4.340 -0.001 0.000 0.268 137 L C 0.402 177.333 176.870 0.101 0.000 0.997 137 L CA -0.281 54.645 54.840 0.144 0.000 0.818 137 L CB 1.416 43.565 42.059 0.151 0.000 1.310 137 L HN -0.212 nan 8.230 nan 0.000 0.416 138 D N -0.281 120.158 120.400 0.066 0.000 2.144 138 D HA -0.082 4.557 4.640 -0.001 0.000 0.199 138 D C 0.496 176.822 176.300 0.043 0.000 0.984 138 D CA 1.257 55.284 54.000 0.044 0.000 0.834 138 D CB 0.348 41.165 40.800 0.028 0.000 0.955 138 D HN 0.341 nan 8.370 nan 0.000 0.465 139 S N -0.585 115.142 115.700 0.045 0.000 2.733 139 S HA 0.323 4.792 4.470 -0.001 0.000 0.294 139 S C 0.519 175.145 174.600 0.044 0.000 1.149 139 S CA -0.730 57.492 58.200 0.037 0.000 1.034 139 S CB 1.385 64.597 63.200 0.020 0.000 1.015 139 S HN -0.036 nan 8.310 nan 0.000 0.486 140 V N 2.732 122.677 119.914 0.052 0.000 3.650 140 V HA 0.286 4.406 4.120 -0.001 0.000 0.271 140 V C 1.790 177.904 176.094 0.033 0.000 1.281 140 V CA 1.069 63.398 62.300 0.048 0.000 1.120 140 V CB -0.495 31.380 31.823 0.087 0.000 0.856 140 V HN 0.918 nan 8.190 nan 0.000 0.443 141 E N 1.026 121.245 120.200 0.032 0.000 2.171 141 E HA -0.290 4.059 4.350 -0.001 0.000 0.197 141 E C 1.050 177.673 176.600 0.039 0.000 0.997 141 E CA 1.842 58.260 56.400 0.030 0.000 0.810 141 E CB 0.003 29.717 29.700 0.022 0.000 0.738 141 E HN 0.695 nan 8.360 nan 0.000 0.467 142 D N 0.343 120.766 120.400 0.038 0.000 2.368 142 D HA 0.058 4.698 4.640 -0.001 0.000 0.218 142 D C -0.398 175.970 176.300 0.114 0.000 1.112 142 D CA -0.120 53.915 54.000 0.057 0.000 0.834 142 D CB -0.043 40.763 40.800 0.011 0.000 0.953 142 D HN 0.061 nan 8.370 nan 0.000 0.505 143 N N 0.771 119.516 118.700 0.074 0.000 2.479 143 N HA 0.013 4.752 4.740 -0.001 0.000 0.257 143 N C -0.300 175.286 175.510 0.127 0.000 1.232 143 N CA 0.392 53.473 53.050 0.052 0.000 0.920 143 N CB 0.428 38.847 38.487 -0.114 0.000 1.105 143 N HN 0.111 nan 8.380 nan 0.000 0.444 144 H N 1.181 120.243 119.070 -0.014 0.000 2.953 144 H HA 0.473 5.028 4.556 -0.001 0.000 0.290 144 H C -1.054 174.225 175.328 -0.081 0.000 1.113 144 H CA -0.384 55.652 56.048 -0.021 0.000 1.454 144 H CB -0.089 29.686 29.762 0.022 0.000 1.525 144 H HN 0.408 nan 8.280 nan 0.000 0.505 145 I N 7.046 127.444 120.570 -0.287 0.000 2.495 145 I HA 0.361 4.530 4.170 -0.001 0.000 0.277 145 I C -0.819 175.155 176.117 -0.238 0.000 1.045 145 I CA -0.890 60.281 61.300 -0.215 0.000 1.135 145 I CB 0.967 38.882 38.000 -0.142 0.000 1.241 145 I HN 0.329 nan 8.210 nan 0.000 0.469 146 V N 2.928 122.689 119.914 -0.256 0.000 3.232 146 V HA 0.563 4.682 4.120 -0.001 0.000 0.303 146 V C 0.209 176.209 176.094 -0.156 0.000 1.311 146 V CA -1.158 61.010 62.300 -0.221 0.000 1.061 146 V CB 2.107 33.740 31.823 -0.317 0.000 1.085 146 V HN 0.617 nan 8.190 nan 0.000 0.447 147 L N 0.189 121.342 121.223 -0.117 0.000 3.678 147 L HA -0.170 4.169 4.340 -0.001 0.000 0.425 147 L C 0.261 177.067 176.870 -0.106 0.000 1.240 147 L CA 0.654 55.434 54.840 -0.101 0.000 0.876 147 L CB -1.906 40.090 42.059 -0.106 0.000 1.766 147 L HN 0.937 nan 8.230 nan 0.000 0.917 148 N N 0.143 118.791 118.700 -0.086 0.000 2.518 148 N HA 0.222 4.962 4.740 -0.001 0.000 0.284 148 N C 0.925 176.405 175.510 -0.050 0.000 1.230 148 N CA -0.601 52.408 53.050 -0.069 0.000 0.941 148 N CB 1.222 39.680 38.487 -0.048 0.000 1.219 148 N HN 0.108 nan 8.380 nan 0.000 0.560 149 K N 0.619 120.996 120.400 -0.038 0.000 2.044 149 K HA -0.250 4.069 4.320 -0.001 0.000 0.210 149 K C 1.047 177.627 176.600 -0.034 0.000 1.049 149 K CA 1.948 58.216 56.287 -0.032 0.000 0.927 149 K CB -0.258 32.230 32.500 -0.021 0.000 0.713 149 K HN 0.486 nan 8.250 nan 0.000 0.443 150 D N 0.843 121.224 120.400 -0.031 0.000 2.170 150 D HA -0.237 4.402 4.640 -0.001 0.000 0.193 150 D C 1.300 177.577 176.300 -0.038 0.000 1.004 150 D CA 2.028 56.006 54.000 -0.036 0.000 0.860 150 D CB -0.173 40.611 40.800 -0.027 0.000 0.931 150 D HN 0.332 nan 8.370 nan 0.000 0.448 151 D N -0.352 120.024 120.400 -0.039 0.000 2.075 151 D HA -0.123 4.516 4.640 -0.001 0.000 0.196 151 D C 1.387 177.665 176.300 -0.036 0.000 0.985 151 D CA 0.887 54.864 54.000 -0.040 0.000 0.834 151 D CB -0.613 40.158 40.800 -0.048 0.000 0.987 151 D HN 0.278 nan 8.370 nan 0.000 0.452 152 N N 1.090 119.768 118.700 -0.036 0.000 2.501 152 N HA 0.041 4.781 4.740 -0.001 0.000 0.195 152 N C 0.122 175.615 175.510 -0.028 0.000 1.213 152 N CA 0.526 53.557 53.050 -0.031 0.000 0.864 152 N CB 0.543 39.011 38.487 -0.032 0.000 0.999 152 N HN 0.448 nan 8.380 nan 0.000 0.454 153 E N -0.531 119.650 120.200 -0.030 0.000 2.402 153 E HA 0.193 4.542 4.350 -0.001 0.000 0.270 153 E C -1.302 175.278 176.600 -0.035 0.000 1.131 153 E CA -0.684 55.698 56.400 -0.030 0.000 0.884 153 E CB 0.848 30.530 29.700 -0.029 0.000 1.564 153 E HN -0.049 nan 8.360 nan 0.000 0.456 154 E N 0.195 120.374 120.200 -0.035 0.000 2.174 154 E HA 0.268 4.617 4.350 -0.001 0.000 0.282 154 E C -0.513 176.055 176.600 -0.053 0.000 0.992 154 E CA -0.168 56.207 56.400 -0.043 0.000 0.803 154 E CB 1.254 30.933 29.700 -0.037 0.000 1.090 154 E HN 0.385 nan 8.360 nan 0.000 0.396 155 c N 1.994 120.549 118.600 -0.074 0.000 2.525 155 c HA 0.298 4.867 4.570 -0.001 0.000 0.291 155 c C 1.326 175.336 174.090 -0.133 0.000 1.351 155 c CA 0.735 57.003 56.329 -0.101 0.000 1.771 155 c CB -0.878 41.556 42.510 -0.127 0.000 2.177 155 c HN 1.067 nan 8.230 nan 0.000 0.510 156 G N 2.475 111.197 108.800 -0.130 0.000 2.333 156 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.296 156 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.296 156 G C -0.657 174.112 174.900 -0.219 0.000 1.059 156 G CA 0.290 45.314 45.100 -0.127 0.000 1.050 156 G HN 0.588 nan 8.290 nan 0.000 0.508 157 D N 0.251 120.451 120.400 -0.333 0.000 2.455 157 D HA 0.245 4.884 4.640 -0.001 0.000 0.234 157 D C 1.001 177.132 176.300 -0.282 0.000 1.224 157 D CA 0.300 53.888 54.000 -0.687 0.000 0.999 157 D CB 0.367 40.814 40.800 -0.587 0.000 1.072 157 D HN 0.416 nan 8.370 nan 0.000 0.514 158 I N 2.225 122.783 120.570 -0.019 0.000 2.325 158 I HA 0.089 4.258 4.170 -0.001 0.000 0.291 158 I C 0.538 176.882 176.117 0.378 0.000 1.019 158 I CA -0.355 61.072 61.300 0.212 0.000 1.302 158 I CB 0.957 39.123 38.000 0.276 0.000 1.401 158 I HN 0.189 nan 8.210 nan 0.000 0.485 159 c N 7.534 126.251 118.600 0.194 0.000 2.443 159 c HA 0.375 4.944 4.570 -0.001 0.000 0.369 159 c C -1.970 172.098 174.090 -0.037 0.000 1.241 159 c CA -1.097 55.305 56.329 0.122 0.000 2.413 159 c CB 0.263 42.820 42.510 0.079 0.000 2.451 159 c HN 0.489 nan 8.230 nan 0.000 0.595 160 P HA 0.332 nan 4.420 nan 0.000 0.264 160 P C -0.216 177.024 177.300 -0.100 0.000 1.183 160 P CA 1.008 63.992 63.100 -0.193 0.000 0.763 160 P CB 0.131 31.733 31.700 -0.164 0.000 0.807 161 G N 0.749 109.492 108.800 -0.095 0.000 2.503 161 G HA2 0.401 4.360 3.960 -0.001 0.000 0.305 161 G HA3 0.401 4.360 3.960 -0.001 0.000 0.305 161 G C -0.815 174.065 174.900 -0.033 0.000 1.575 161 G CA -0.674 44.398 45.100 -0.047 0.000 0.890 161 G HN 0.558 nan 8.290 nan 0.000 0.612 162 T N 0.122 114.661 114.554 -0.025 0.000 2.928 162 T HA 0.443 4.792 4.350 -0.001 0.000 0.305 162 T C 1.912 176.607 174.700 -0.009 0.000 1.035 162 T CA 0.667 62.757 62.100 -0.017 0.000 1.145 162 T CB 1.656 70.515 68.868 -0.016 0.000 0.963 162 T HN 1.778 nan 8.240 nan 0.000 0.545 163 A N 2.345 125.162 122.820 -0.005 0.000 2.054 163 A HA 0.205 4.524 4.320 -0.001 0.000 0.223 163 A C 1.496 179.079 177.584 -0.002 0.000 1.169 163 A CA 1.893 53.930 52.037 -0.000 0.000 0.655 163 A CB -1.058 17.942 19.000 0.000 0.000 0.812 163 A HN 1.471 nan 8.150 nan 0.000 0.462 164 K N -0.030 120.367 120.400 -0.005 0.000 2.690 164 K HA 0.558 4.877 4.320 -0.001 0.000 0.243 164 K C 0.151 176.746 176.600 -0.009 0.000 0.982 164 K CA 0.085 56.369 56.287 -0.006 0.000 0.955 164 K CB 0.197 32.693 32.500 -0.006 0.000 1.185 164 K HN 1.088 nan 8.250 nan 0.000 0.467 168 N N 0.200 118.891 118.700 -0.016 0.000 2.368 168 N HA 0.060 4.799 4.740 -0.001 0.000 0.176 168 N C 0.784 176.292 175.510 -0.002 0.000 1.021 168 N CA 0.205 53.247 53.050 -0.014 0.000 0.888 168 N CB 0.074 38.545 38.487 -0.026 0.000 0.995 168 N HN 0.517 nan 8.380 nan 0.000 0.437 169 c N 2.626 121.227 118.600 0.001 0.000 2.652 169 c HA 0.291 4.860 4.570 -0.001 0.000 0.412 169 c C -1.759 172.343 174.090 0.020 0.000 1.294 169 c CA -1.023 55.314 56.329 0.013 0.000 2.127 169 c CB 0.552 43.070 42.510 0.015 0.000 2.691 169 c HN 0.276 nan 8.230 nan 0.000 0.615 170 P HA 0.386 nan 4.420 nan 0.000 0.272 170 P C -1.052 176.271 177.300 0.039 0.000 1.230 170 P CA 0.096 63.216 63.100 0.034 0.000 0.788 170 P CB 0.475 32.196 31.700 0.035 0.000 0.949 171 A N 1.012 123.875 122.820 0.071 0.000 2.371 171 A HA 0.736 5.055 4.320 -0.001 0.000 0.311 171 A C -0.251 177.423 177.584 0.150 0.000 1.068 171 A CA -0.299 51.806 52.037 0.112 0.000 0.744 171 A CB 0.999 20.095 19.000 0.160 0.000 1.239 171 A HN 0.579 nan 8.150 nan 0.000 0.435 172 T N -1.496 113.096 114.554 0.062 0.000 2.901 172 T HA 0.659 5.008 4.350 -0.001 0.000 0.293 172 T C -0.556 174.010 174.700 -0.223 0.000 1.084 172 T CA -0.702 61.374 62.100 -0.040 0.000 1.008 172 T CB 1.109 69.942 68.868 -0.058 0.000 1.170 172 T HN 0.662 nan 8.240 nan 0.000 0.509 173 V N 2.544 122.186 119.914 -0.454 0.000 2.686 173 V HA 0.254 4.374 4.120 -0.001 0.000 0.295 173 V C 1.451 177.390 176.094 -0.257 0.000 1.055 173 V CA -0.223 61.747 62.300 -0.549 0.000 1.050 173 V CB 0.305 31.726 31.823 -0.670 0.000 0.984 173 V HN 0.874 nan 8.190 nan 0.000 0.482 174 I N 3.164 123.617 120.570 -0.194 0.000 3.158 174 I HA 0.094 4.263 4.170 -0.001 0.000 0.224 174 I C 1.493 177.551 176.117 -0.098 0.000 1.041 174 I CA 0.705 61.939 61.300 -0.109 0.000 1.433 174 I CB -0.334 37.624 38.000 -0.070 0.000 1.288 174 I HN 0.566 nan 8.210 nan 0.000 0.424 175 N N 0.411 119.063 118.700 -0.080 0.000 2.335 175 N HA 0.147 4.887 4.740 -0.001 0.000 0.197 175 N C 1.594 177.048 175.510 -0.093 0.000 1.045 175 N CA 1.376 54.385 53.050 -0.069 0.000 0.928 175 N CB -0.169 38.295 38.487 -0.038 0.000 1.118 175 N HN 0.588 nan 8.380 nan 0.000 0.471 176 G N -1.108 107.650 108.800 -0.070 0.000 2.848 176 G HA2 0.073 4.032 3.960 -0.001 0.000 0.213 176 G HA3 0.073 4.032 3.960 -0.001 0.000 0.213 176 G C 0.103 174.986 174.900 -0.029 0.000 1.101 176 G CA -0.166 44.907 45.100 -0.044 0.000 0.778 176 G HN 0.119 nan 8.290 nan 0.000 0.536 177 Q N 0.439 120.211 119.800 -0.046 0.000 2.279 177 Q HA 0.390 4.729 4.340 -0.001 0.000 0.256 177 Q C -1.098 174.868 176.000 -0.056 0.000 0.937 177 Q CA -0.639 55.172 55.803 0.013 0.000 0.933 177 Q CB 0.804 29.547 28.738 0.008 0.000 1.189 177 Q HN 0.154 nan 8.270 nan 0.000 0.417 178 F N 2.415 122.359 119.950 -0.011 0.000 2.427 178 F HA 0.297 4.824 4.527 -0.001 0.000 0.352 178 F C 0.170 175.960 175.800 -0.017 0.000 1.100 178 F CA -0.265 57.728 58.000 -0.013 0.000 1.191 178 F CB 1.016 40.010 39.000 -0.011 0.000 1.128 178 F HN 0.169 nan 8.300 nan 0.000 0.533 179 V N 3.516 123.490 119.914 0.100 0.000 2.709 179 V HA 0.269 4.388 4.120 -0.001 0.000 0.308 179 V C -0.523 175.591 176.094 0.033 0.000 1.062 179 V CA -1.069 61.256 62.300 0.041 0.000 0.901 179 V CB 2.138 33.954 31.823 -0.012 0.000 1.003 179 V HN 0.757 nan 8.190 nan 0.000 0.425 180 E N 5.261 125.476 120.200 0.024 0.000 2.343 180 E HA 0.580 4.929 4.350 -0.001 0.000 0.269 180 E C -0.977 175.614 176.600 -0.016 0.000 1.047 180 E CA -0.916 55.493 56.400 0.015 0.000 0.874 180 E CB 1.169 30.881 29.700 0.020 0.000 1.033 180 E HN 0.304 nan 8.360 nan 0.000 0.409 181 R N 1.602 122.085 120.500 -0.028 0.000 2.480 181 R HA 0.480 4.819 4.340 -0.001 0.000 0.306 181 R C -0.677 175.579 176.300 -0.073 0.000 0.958 181 R CA -0.666 55.381 56.100 -0.088 0.000 0.861 181 R CB 0.953 31.180 30.300 -0.122 0.000 1.171 181 R HN 0.902 nan 8.270 nan 0.000 0.445 182 c N -1.091 117.446 118.600 -0.106 0.000 3.311 182 c HA 0.575 5.145 4.570 -0.001 0.000 0.325 182 c C 0.371 174.389 174.090 -0.120 0.000 1.352 182 c CA -1.039 55.272 56.329 -0.030 0.000 1.308 182 c CB 1.018 43.588 42.510 0.101 0.000 1.619 182 c HN 0.943 nan 8.230 nan 0.000 0.469 183 W N 1.443 122.761 121.300 0.029 0.000 2.640 183 W HA 0.309 4.969 4.660 -0.001 0.000 0.271 183 W C 1.542 177.916 176.519 -0.241 0.000 1.218 183 W CA 1.366 58.701 57.345 -0.016 0.000 1.382 183 W CB 0.078 29.554 29.460 0.027 0.000 1.067 183 W HN 1.071 nan 8.180 nan 0.000 0.590 184 T N -5.059 109.428 114.554 -0.112 0.000 2.778 184 T HA 0.191 4.540 4.350 -0.001 0.000 0.293 184 T C 0.187 174.682 174.700 -0.342 0.000 1.144 184 T CA -0.418 61.342 62.100 -0.566 0.000 1.010 184 T CB 1.709 70.491 68.868 -0.143 0.000 1.325 184 T HN 0.003 nan 8.240 nan 0.000 0.515 185 H N 0.307 119.182 119.070 -0.324 0.000 2.456 185 H HA 0.139 4.694 4.556 -0.002 0.000 0.296 185 H C 1.692 176.970 175.328 -0.083 0.000 1.079 185 H CA 2.239 58.275 56.048 -0.021 0.000 1.322 185 H CB -0.070 29.722 29.762 0.049 0.000 1.388 185 H HN 0.494 nan 8.280 nan 0.000 0.538 186 S N -1.308 114.277 115.700 -0.190 0.000 2.524 186 S HA 0.139 4.608 4.470 -0.001 0.000 0.215 186 S C -0.445 173.789 174.600 -0.610 0.000 0.986 186 S CA -0.276 57.675 58.200 -0.414 0.000 0.911 186 S CB 0.325 63.227 63.200 -0.497 0.000 0.805 186 S HN 0.455 nan 8.310 nan 0.000 0.501 187 H N -0.177 118.803 119.070 -0.151 0.000 2.924 187 H HA 0.412 4.968 4.556 -0.001 0.000 0.333 187 H C -0.624 174.730 175.328 0.043 0.000 0.979 187 H CA -0.819 55.160 56.048 -0.115 0.000 1.326 187 H CB 0.706 30.335 29.762 -0.222 0.000 1.600 187 H HN 0.121 nan 8.280 nan 0.000 0.520 188 c N 1.950 120.646 118.600 0.160 0.000 2.649 188 c HA 0.080 4.649 4.570 -0.001 0.000 0.377 188 c C 0.776 175.040 174.090 0.290 0.000 1.321 188 c CA -0.262 56.161 56.329 0.157 0.000 2.368 188 c CB 0.325 42.888 42.510 0.087 0.000 2.597 188 c HN 0.739 nan 8.230 nan 0.000 0.678 189 Q N 1.286 121.193 119.800 0.178 0.000 2.288 189 Q HA 0.217 4.556 4.340 -0.001 0.000 0.258 189 Q C -0.212 175.884 176.000 0.160 0.000 0.957 189 Q CA -0.154 55.771 55.803 0.204 0.000 0.919 189 Q CB 0.476 29.168 28.738 -0.077 0.000 1.185 189 Q HN 0.574 nan 8.270 nan 0.000 0.408 190 K N 2.560 123.077 120.400 0.196 0.000 2.416 190 K HA 0.206 4.525 4.320 -0.001 0.000 0.283 190 K C -1.451 175.200 176.600 0.086 0.000 1.037 190 K CA -0.126 56.236 56.287 0.124 0.000 0.995 190 K CB 0.606 33.177 32.500 0.119 0.000 0.938 190 K HN 0.374 nan 8.250 nan 0.000 0.475 191 V N 5.527 125.478 119.914 0.061 0.000 2.482 191 V HA 0.257 4.376 4.120 -0.001 0.000 0.295 191 V C -0.453 175.666 176.094 0.042 0.000 1.026 191 V CA -1.057 61.269 62.300 0.043 0.000 0.856 191 V CB 1.273 33.115 31.823 0.032 0.000 1.001 191 V HN 0.920 nan 8.190 nan 0.000 0.424 192 c N 5.592 124.215 118.600 0.038 0.000 2.382 192 c HA 0.574 5.144 4.570 -0.001 0.000 0.363 192 c C -1.874 172.235 174.090 0.031 0.000 1.213 192 c CA -1.010 55.341 56.329 0.037 0.000 2.363 192 c CB 0.945 43.478 42.510 0.038 0.000 2.397 192 c HN 0.686 nan 8.230 nan 0.000 0.573 193 P HA 0.077 nan 4.420 nan 0.000 0.267 193 P C 0.865 178.179 177.300 0.024 0.000 1.200 193 P CA 0.382 63.500 63.100 0.030 0.000 0.772 193 P CB 0.365 32.083 31.700 0.031 0.000 0.855 194 T N -0.390 114.177 114.554 0.021 0.000 2.833 194 T HA -0.183 4.166 4.350 -0.001 0.000 0.269 194 T C 1.561 176.268 174.700 0.011 0.000 1.054 194 T CA 1.425 63.532 62.100 0.012 0.000 1.135 194 T CB -1.102 67.775 68.868 0.014 0.000 0.869 194 T HN 0.500 nan 8.240 nan 0.000 0.466 195 I N -0.271 120.312 120.570 0.022 0.000 2.700 195 I HA 0.007 4.176 4.170 -0.001 0.000 0.261 195 I C 2.270 178.414 176.117 0.045 0.000 1.219 195 I CA 0.501 61.819 61.300 0.030 0.000 1.463 195 I CB -1.164 36.855 38.000 0.033 0.000 1.092 195 I HN 0.194 nan 8.210 nan 0.000 0.452 196 c N 1.090 119.714 118.600 0.040 0.000 2.456 196 c HA 0.050 4.620 4.570 -0.001 0.000 0.279 196 c C 1.768 175.837 174.090 -0.036 0.000 1.427 196 c CA 0.130 56.497 56.329 0.064 0.000 1.778 196 c CB -1.349 41.195 42.510 0.057 0.000 1.842 196 c HN 0.617 nan 8.230 nan 0.000 0.531 197 K N 0.087 120.433 120.400 -0.090 0.000 1.867 197 K HA -0.309 4.010 4.320 -0.001 0.000 0.140 197 K C 1.135 177.588 176.600 -0.246 0.000 1.408 197 K CA 1.742 57.911 56.287 -0.197 0.000 0.461 197 K CB -1.915 30.408 32.500 -0.294 0.000 0.594 197 K HN 0.510 nan 8.250 nan 0.000 0.888 198 S N 1.079 116.532 115.700 -0.411 0.000 2.575 198 S HA 0.050 4.520 4.470 -0.001 0.000 0.215 198 S C 1.326 175.841 174.600 -0.142 0.000 0.966 198 S CA 0.208 58.273 58.200 -0.224 0.000 0.911 198 S CB -0.184 62.931 63.200 -0.141 0.000 0.780 198 S HN 0.398 nan 8.310 nan 0.000 0.514 199 H N 2.179 121.269 119.070 0.034 0.000 2.495 199 H HA 0.304 4.859 4.556 -0.001 0.000 0.287 199 H C 1.712 177.066 175.328 0.044 0.000 1.033 199 H CA 0.573 56.645 56.048 0.040 0.000 1.307 199 H CB -0.853 28.930 29.762 0.034 0.000 1.401 199 H HN 0.657 nan 8.280 nan 0.000 0.555 200 G N -0.131 108.741 108.800 0.121 0.000 2.728 200 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.294 200 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.294 200 G C -0.300 174.657 174.900 0.095 0.000 1.342 200 G CA -0.526 44.629 45.100 0.092 0.000 0.866 200 G HN 0.873 nan 8.290 nan 0.000 0.534 201 c N -2.358 116.287 118.600 0.075 0.000 3.307 201 c HA 0.943 5.512 4.570 -0.001 0.000 0.333 201 c C 0.605 174.730 174.090 0.058 0.000 1.291 201 c CA 0.293 56.662 56.329 0.067 0.000 1.273 201 c CB 1.157 43.701 42.510 0.058 0.000 1.580 201 c HN 2.304 nan 8.230 nan 0.000 0.481 202 T N -0.412 114.174 114.554 0.053 0.000 2.754 202 T HA 0.533 4.882 4.350 -0.001 0.000 0.286 202 T C 1.341 176.067 174.700 0.044 0.000 0.997 202 T CA 0.234 62.362 62.100 0.047 0.000 0.982 202 T CB 0.742 69.635 68.868 0.042 0.000 1.027 202 T HN 1.961 nan 8.240 nan 0.000 0.529 203 A N 0.579 123.424 122.820 0.041 0.000 2.019 203 A HA -0.065 4.255 4.320 -0.001 0.000 0.219 203 A C 2.222 179.826 177.584 0.033 0.000 1.164 203 A CA 1.311 53.371 52.037 0.038 0.000 0.644 203 A CB -0.797 18.225 19.000 0.036 0.000 0.805 203 A HN 0.951 nan 8.150 nan 0.000 0.449 204 E N -0.825 119.393 120.200 0.030 0.000 2.502 204 E HA 0.187 4.537 4.350 -0.001 0.000 0.194 204 E C 1.064 177.681 176.600 0.028 0.000 1.062 204 E CA 0.895 57.311 56.400 0.026 0.000 0.867 204 E CB -0.551 29.164 29.700 0.024 0.000 0.888 204 E HN 1.004 nan 8.360 nan 0.000 0.510 205 G N 1.188 110.008 108.800 0.033 0.000 2.157 205 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.239 205 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.239 205 G C 0.078 175.001 174.900 0.037 0.000 0.982 205 G CA 0.185 45.306 45.100 0.035 0.000 0.650 205 G HN 0.240 nan 8.290 nan 0.000 0.527 206 L N 0.794 122.040 121.223 0.038 0.000 2.349 206 L HA 0.393 4.732 4.340 -0.001 0.000 0.275 206 L C 1.224 178.124 176.870 0.050 0.000 1.115 206 L CA -0.984 53.880 54.840 0.040 0.000 0.820 206 L CB 1.081 43.161 42.059 0.036 0.000 1.135 206 L HN 0.203 nan 8.230 nan 0.000 0.445 207 c N 2.075 120.706 118.600 0.052 0.000 2.653 207 c HA 0.113 4.682 4.570 -0.001 0.000 0.421 207 c C 1.035 175.170 174.090 0.075 0.000 1.334 207 c CA -0.975 55.396 56.329 0.069 0.000 1.885 207 c CB -0.522 42.030 42.510 0.069 0.000 2.645 207 c HN 0.815 nan 8.230 nan 0.000 0.601 208 c N 3.615 122.274 118.600 0.099 0.000 2.745 208 c HA 0.056 4.625 4.570 -0.001 0.000 0.387 208 c C 1.188 175.335 174.090 0.095 0.000 1.312 208 c CA -0.193 56.203 56.329 0.111 0.000 2.204 208 c CB -0.529 42.059 42.510 0.130 0.000 2.686 208 c HN 0.821 nan 8.230 nan 0.000 0.705 209 H N 1.173 120.237 119.070 -0.009 0.000 2.871 209 H HA -0.014 4.541 4.556 -0.001 0.000 0.355 209 H C 1.434 176.627 175.328 -0.225 0.000 1.092 209 H CA 1.334 57.339 56.048 -0.072 0.000 1.420 209 H CB 0.961 30.697 29.762 -0.043 0.000 1.400 209 H HN 0.856 nan 8.280 nan 0.000 0.604 210 S N 2.758 118.021 115.700 -0.727 0.000 2.469 210 S HA -0.098 4.371 4.470 -0.001 0.000 0.238 210 S C 1.141 175.471 174.600 -0.451 0.000 0.998 210 S CA 0.846 58.488 58.200 -0.930 0.000 0.957 210 S CB 0.147 62.974 63.200 -0.622 0.000 0.764 210 S HN 0.618 nan 8.310 nan 0.000 0.514 211 E N 0.320 120.563 120.200 0.071 0.000 2.478 211 E HA 0.197 4.546 4.350 -0.001 0.000 0.194 211 E C 0.748 177.435 176.600 0.144 0.000 1.045 211 E CA -0.148 56.348 56.400 0.160 0.000 0.868 211 E CB -0.166 29.666 29.700 0.221 0.000 0.885 211 E HN 0.595 nan 8.360 nan 0.000 0.505 212 C N 0.864 120.250 119.300 0.143 0.000 2.580 212 C HA 0.485 4.944 4.460 -0.001 0.000 0.371 212 C C -0.154 174.952 174.990 0.194 0.000 1.308 212 C CA -0.627 58.480 59.018 0.148 0.000 2.428 212 C CB -0.137 27.691 27.740 0.146 0.000 2.529 212 C HN 0.234 nan 8.230 nan 0.000 0.657 213 L N 4.470 125.779 121.223 0.143 0.000 2.439 213 L HA 0.708 5.047 4.340 -0.001 0.000 0.270 213 L C 0.645 177.563 176.870 0.079 0.000 0.972 213 L CA 1.426 56.339 54.840 0.122 0.000 0.836 213 L CB 1.208 43.316 42.059 0.081 0.000 1.255 213 L HN 1.185 nan 8.230 nan 0.000 0.404 214 G N 3.777 112.619 108.800 0.071 0.000 2.640 214 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.226 214 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.226 214 G C 0.150 175.080 174.900 0.050 0.000 1.222 214 G CA 0.418 45.545 45.100 0.045 0.000 0.729 214 G HN 0.949 nan 8.290 nan 0.000 0.516 215 N N -1.170 117.564 118.700 0.056 0.000 3.265 215 N HA 0.556 5.295 4.740 -0.001 0.000 0.235 215 N C -0.617 174.927 175.510 0.056 0.000 1.343 215 N CA 0.498 53.579 53.050 0.051 0.000 0.904 215 N CB 1.025 39.529 38.487 0.028 0.000 1.492 215 N HN 1.419 nan 8.380 nan 0.000 0.504 216 c N -0.212 118.421 118.600 0.055 0.000 3.318 216 c HA 0.758 5.327 4.570 -0.001 0.000 0.322 216 c C 1.460 175.578 174.090 0.046 0.000 1.398 216 c CA 0.070 56.432 56.329 0.054 0.000 1.339 216 c CB 0.951 43.502 42.510 0.068 0.000 1.668 216 c HN 0.794 nan 8.230 nan 0.000 0.462 217 S N -0.086 115.638 115.700 0.041 0.000 2.470 217 S HA 0.193 4.662 4.470 -0.001 0.000 0.222 217 S C 0.327 174.948 174.600 0.036 0.000 1.024 217 S CA 0.306 58.528 58.200 0.036 0.000 0.931 217 S CB -0.184 63.035 63.200 0.031 0.000 0.791 217 S HN 0.893 nan 8.310 nan 0.000 0.513 218 Q N 1.178 121.001 119.800 0.039 0.000 2.416 218 Q HA 0.499 4.839 4.340 -0.001 0.000 0.281 218 Q C -3.099 172.931 176.000 0.050 0.000 1.067 218 Q CA -2.518 53.308 55.803 0.040 0.000 0.809 218 Q CB 2.509 31.266 28.738 0.032 0.000 1.418 218 Q HN 0.189 nan 8.270 nan 0.000 0.411 219 P HA -0.008 nan 4.420 nan 0.000 0.275 219 P C -0.240 177.105 177.300 0.076 0.000 1.228 219 P CA 0.180 63.317 63.100 0.061 0.000 0.786 219 P CB 0.544 32.274 31.700 0.049 0.000 0.927 220 D N -0.208 120.254 120.400 0.102 0.000 2.737 220 D HA -0.200 4.439 4.640 -0.001 0.000 0.233 220 D C -0.748 175.673 176.300 0.202 0.000 1.155 220 D CA 1.255 55.349 54.000 0.157 0.000 0.667 220 D CB -1.341 39.514 40.800 0.091 0.000 1.060 220 D HN 0.335 nan 8.370 nan 0.000 0.427 221 D N -0.974 119.499 120.400 0.122 0.000 2.542 221 D HA 0.248 4.887 4.640 -0.001 0.000 0.252 221 D C -2.067 174.147 176.300 -0.142 0.000 1.222 221 D CA -1.676 52.315 54.000 -0.015 0.000 0.895 221 D CB 1.735 42.538 40.800 0.004 0.000 1.207 221 D HN -0.040 nan 8.370 nan 0.000 0.558 222 P HA 0.018 nan 4.420 nan 0.000 0.249 222 P C 0.770 177.969 177.300 -0.169 0.000 1.241 222 P CA 0.415 63.254 63.100 -0.436 0.000 0.781 222 P CB 0.025 31.282 31.700 -0.739 0.000 1.088 223 T N -4.797 109.694 114.554 -0.106 0.000 3.054 223 T HA 0.242 4.591 4.350 -0.001 0.000 0.255 223 T C 1.095 175.796 174.700 0.002 0.000 1.035 223 T CA -0.094 61.983 62.100 -0.039 0.000 0.941 223 T CB -0.124 68.721 68.868 -0.040 0.000 1.026 223 T HN -0.128 nan 8.240 nan 0.000 0.533 224 K N 0.949 121.350 120.400 0.003 0.000 2.506 224 K HA 0.319 4.638 4.320 -0.001 0.000 0.204 224 K C -0.182 176.442 176.600 0.040 0.000 1.045 224 K CA -0.300 56.002 56.287 0.025 0.000 1.074 224 K CB 0.075 32.589 32.500 0.022 0.000 0.842 224 K HN 0.405 nan 8.250 nan 0.000 0.514 225 C N 1.142 120.472 119.300 0.049 0.000 2.593 225 C HA 0.109 4.568 4.460 -0.001 0.000 0.409 225 C C 2.482 177.506 174.990 0.056 0.000 1.304 225 C CA -0.782 58.275 59.018 0.064 0.000 2.007 225 C CB 0.391 28.180 27.740 0.082 0.000 2.614 225 C HN 0.167 nan 8.230 nan 0.000 0.585 226 V N 2.154 122.093 119.914 0.041 0.000 2.427 226 V HA 0.018 4.137 4.120 -0.001 0.000 0.248 226 V C 1.164 177.262 176.094 0.007 0.000 1.051 226 V CA 2.230 64.539 62.300 0.016 0.000 1.048 226 V CB -0.801 31.023 31.823 0.002 0.000 0.666 226 V HN 1.065 nan 8.190 nan 0.000 0.456 227 A N -2.164 120.674 122.820 0.030 0.000 2.609 227 A HA 0.614 4.934 4.320 -0.001 0.000 0.291 227 A C -1.151 176.485 177.584 0.088 0.000 1.096 227 A CA -0.448 51.611 52.037 0.035 0.000 0.684 227 A CB 1.241 20.231 19.000 -0.016 0.000 1.282 227 A HN 0.152 nan 8.150 nan 0.000 0.412 228 c N 0.767 119.440 118.600 0.122 0.000 2.365 228 c HA 0.539 5.108 4.570 -0.001 0.000 0.351 228 c C 2.023 176.169 174.090 0.094 0.000 1.240 228 c CA -0.511 55.902 56.329 0.139 0.000 2.062 228 c CB 1.066 43.700 42.510 0.208 0.000 2.387 228 c HN 1.066 nan 8.230 nan 0.000 0.537 229 R N 1.747 122.306 120.500 0.097 0.000 2.090 229 R HA -0.047 4.292 4.340 -0.001 0.000 0.228 229 R C 1.180 177.482 176.300 0.002 0.000 1.110 229 R CA 1.452 57.598 56.100 0.076 0.000 0.973 229 R CB 0.028 30.410 30.300 0.137 0.000 0.869 229 R HN 0.753 nan 8.270 nan 0.000 0.440 230 N N -1.069 117.628 118.700 -0.004 0.000 2.604 230 N HA 0.125 4.864 4.740 -0.001 0.000 0.234 230 N C -0.335 174.889 175.510 -0.475 0.000 1.064 230 N CA 0.544 53.496 53.050 -0.164 0.000 1.202 230 N CB 0.126 38.683 38.487 0.116 0.000 1.575 230 N HN -0.092 nan 8.380 nan 0.000 0.619 231 F N -0.494 119.542 119.950 0.144 0.000 2.577 231 F HA 0.363 4.889 4.527 -0.001 0.000 0.318 231 F C -0.588 175.274 175.800 0.104 0.000 1.065 231 F CA -0.997 57.079 58.000 0.127 0.000 0.929 231 F CB 1.609 40.659 39.000 0.083 0.000 1.237 231 F HN 0.041 nan 8.300 nan 0.000 0.468 232 Y N 3.090 123.464 120.300 0.124 0.000 2.352 232 Y HA 0.741 5.290 4.550 -0.001 0.000 0.339 232 Y C -1.808 174.025 175.900 -0.111 0.000 0.992 232 Y CA -1.213 56.904 58.100 0.030 0.000 1.100 232 Y CB 1.424 39.957 38.460 0.122 0.000 1.192 232 Y HN 0.552 nan 8.280 nan 0.000 0.458 233 L N 6.339 126.953 121.223 -1.015 0.000 2.505 233 L HA 0.430 4.769 4.340 -0.001 0.000 0.266 233 L C -1.011 175.328 176.870 -0.884 0.000 0.954 233 L CA -0.469 53.827 54.840 -0.906 0.000 0.852 233 L CB 1.601 43.283 42.059 -0.629 0.000 1.282 233 L HN 0.813 nan 8.230 nan 0.000 0.403 234 D N 4.786 124.769 120.400 -0.695 0.000 2.720 234 D HA -0.156 4.483 4.640 -0.001 0.000 0.229 234 D C 1.156 177.305 176.300 -0.251 0.000 1.198 234 D CA 1.934 55.730 54.000 -0.339 0.000 0.639 234 D CB -0.851 39.798 40.800 -0.252 0.000 1.003 234 D HN 1.303 nan 8.370 nan 0.000 0.411 235 G N -0.244 108.434 108.800 -0.204 0.000 2.143 235 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.248 235 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.248 235 G C 0.312 175.205 174.900 -0.012 0.000 0.991 235 G CA 0.477 45.609 45.100 0.054 0.000 0.689 235 G HN 0.707 nan 8.290 nan 0.000 0.522 236 R N -0.967 119.422 120.500 -0.186 0.000 2.651 236 R HA 0.558 4.897 4.340 -0.001 0.000 0.278 236 R C -0.572 175.658 176.300 -0.117 0.000 1.010 236 R CA -0.516 55.504 56.100 -0.134 0.000 0.896 236 R CB 1.094 31.289 30.300 -0.174 0.000 1.211 236 R HN 0.194 nan 8.270 nan 0.000 0.456 237 c N 4.675 123.261 118.600 -0.024 0.000 2.325 237 c HA 0.493 5.063 4.570 -0.001 0.000 0.347 237 c C 0.361 174.459 174.090 0.012 0.000 1.263 237 c CA -0.624 55.730 56.329 0.041 0.000 1.806 237 c CB -0.169 42.393 42.510 0.087 0.000 2.405 237 c HN 0.491 nan 8.230 nan 0.000 0.537 238 V N 1.795 121.739 119.914 0.050 0.000 2.960 238 V HA 0.525 4.644 4.120 -0.001 0.000 0.315 238 V C 0.572 176.767 176.094 0.170 0.000 1.087 238 V CA -0.482 61.856 62.300 0.064 0.000 0.982 238 V CB 1.733 33.554 31.823 -0.004 0.000 1.039 238 V HN 0.862 nan 8.190 nan 0.000 0.437 239 E N 1.429 121.719 120.200 0.149 0.000 2.051 239 E HA 0.029 4.378 4.350 -0.001 0.000 0.189 239 E C 0.747 177.515 176.600 0.279 0.000 0.979 239 E CA 1.540 58.055 56.400 0.192 0.000 0.803 239 E CB 0.270 30.043 29.700 0.123 0.000 0.761 239 E HN 1.018 nan 8.360 nan 0.000 0.451 240 T N -2.530 112.130 114.554 0.177 0.000 2.901 240 T HA 0.410 4.759 4.350 -0.001 0.000 0.293 240 T C -0.432 174.262 174.700 -0.010 0.000 1.084 240 T CA -0.996 61.191 62.100 0.144 0.000 1.008 240 T CB 1.448 70.391 68.868 0.124 0.000 1.170 240 T HN 0.029 nan 8.240 nan 0.000 0.509 241 c N 3.961 122.424 118.600 -0.229 0.000 2.566 241 c HA 0.464 5.033 4.570 -0.001 0.000 0.393 241 c C -1.612 172.324 174.090 -0.257 0.000 1.309 241 c CA -0.795 55.279 56.329 -0.425 0.000 1.801 241 c CB -0.668 41.307 42.510 -0.891 0.000 2.493 241 c HN 0.672 nan 8.230 nan 0.000 0.575 242 P HA 0.231 nan 4.420 nan 0.000 0.274 242 P C -2.648 174.619 177.300 -0.056 0.000 1.231 242 P CA -1.338 61.721 63.100 -0.068 0.000 0.790 242 P CB -0.193 31.492 31.700 -0.024 0.000 0.951 243 P HA 0.025 nan 4.420 nan 0.000 0.265 243 P C -1.733 175.462 177.300 -0.175 0.000 1.187 243 P CA -0.407 62.585 63.100 -0.180 0.000 0.766 243 P CB -0.731 30.888 31.700 -0.135 0.000 0.820 244 P HA 0.162 nan 4.420 nan 0.000 0.248 244 P C -0.845 176.015 177.300 -0.734 0.000 1.708 244 P CA -0.126 62.689 63.100 -0.474 0.000 1.062 244 P CB -0.005 31.456 31.700 -0.398 0.000 1.562 245 Y N 0.008 120.030 120.300 -0.463 0.000 2.392 245 Y HA 0.401 4.950 4.550 -0.001 0.000 0.323 245 Y C 0.648 176.047 175.900 -0.835 0.000 1.291 245 Y CA -0.233 57.565 58.100 -0.504 0.000 1.345 245 Y CB 0.739 38.982 38.460 -0.362 0.000 1.320 245 Y HN -0.092 nan 8.280 nan 0.000 0.518 246 Y N -1.263 118.994 120.300 -0.072 0.000 2.499 246 Y HA 0.366 4.915 4.550 -0.001 0.000 0.347 246 Y C -0.696 175.056 175.900 -0.247 0.000 0.987 246 Y CA -1.338 56.672 58.100 -0.149 0.000 1.044 246 Y CB 1.031 39.495 38.460 0.006 0.000 1.245 246 Y HN 0.511 nan 8.280 nan 0.000 0.461 247 H N 2.161 121.249 119.070 0.030 0.000 2.848 247 H HA 0.226 4.781 4.556 -0.001 0.000 0.317 247 H C -1.230 174.224 175.328 0.209 0.000 1.046 247 H CA 0.125 56.133 56.048 -0.066 0.000 1.470 247 H CB 0.278 29.873 29.762 -0.278 0.000 1.483 247 H HN 0.442 nan 8.280 nan 0.000 0.548 248 F N 3.074 123.090 119.950 0.111 0.000 2.518 248 F HA 0.208 4.734 4.527 -0.001 0.000 0.323 248 F C -0.193 175.677 175.800 0.117 0.000 1.129 248 F CA -0.880 57.172 58.000 0.086 0.000 0.920 248 F CB 1.278 40.247 39.000 -0.052 0.000 1.160 248 F HN 0.538 nan 8.300 nan 0.000 0.440 249 Q N 3.689 123.312 119.800 -0.294 0.000 2.480 249 Q HA -0.302 4.037 4.340 -0.001 0.000 0.265 249 Q C 0.263 176.366 176.000 0.173 0.000 1.072 249 Q CA 1.447 57.147 55.803 -0.172 0.000 1.018 249 Q CB -1.711 26.872 28.738 -0.260 0.000 1.433 249 Q HN 1.003 nan 8.270 nan 0.000 0.513 250 D N -1.867 118.676 120.400 0.238 0.000 2.882 250 D HA -0.203 4.436 4.640 -0.001 0.000 0.229 250 D C 0.490 176.898 176.300 0.180 0.000 1.167 250 D CA 1.870 56.050 54.000 0.300 0.000 0.759 250 D CB -0.918 39.977 40.800 0.159 0.000 1.088 250 D HN 0.800 nan 8.370 nan 0.000 0.425 251 W N -0.631 120.733 121.300 0.107 0.000 1.904 251 W HA 0.167 4.826 4.660 -0.001 0.000 0.179 251 W C -0.089 176.578 176.519 0.247 0.000 0.832 251 W CA 0.171 57.484 57.345 -0.054 0.000 0.958 251 W CB -0.084 29.344 29.460 -0.054 0.000 0.765 251 W HN 0.167 nan 8.180 nan 0.000 0.616 252 R N 1.341 121.504 120.500 -0.563 0.000 2.836 252 R HA 0.699 5.039 4.340 -0.001 0.000 0.269 252 R C -1.458 174.726 176.300 -0.194 0.000 1.010 252 R CA -0.401 55.369 56.100 -0.549 0.000 0.930 252 R CB 1.433 30.953 30.300 -1.300 0.000 1.218 252 R HN -0.073 nan 8.270 nan 0.000 0.473 253 c N 2.060 120.505 118.600 -0.258 0.000 2.319 253 c HA 0.713 5.282 4.570 -0.001 0.000 0.335 253 c C 0.263 174.167 174.090 -0.309 0.000 1.274 253 c CA -0.441 55.711 56.329 -0.295 0.000 1.806 253 c CB 0.552 42.794 42.510 -0.446 0.000 2.329 253 c HN 0.609 nan 8.230 nan 0.000 0.524 254 V N 1.947 121.754 119.914 -0.179 0.000 3.040 254 V HA 0.782 4.901 4.120 -0.001 0.000 0.312 254 V C -0.658 175.534 176.094 0.163 0.000 1.115 254 V CA -0.727 61.431 62.300 -0.237 0.000 0.998 254 V CB 1.999 33.289 31.823 -0.888 0.000 1.042 254 V HN 0.890 nan 8.190 nan 0.000 0.433 255 N N 0.869 119.667 118.700 0.164 0.000 2.458 255 N HA 0.329 5.068 4.740 -0.001 0.000 0.271 255 N C 0.409 176.095 175.510 0.295 0.000 1.210 255 N CA -0.556 52.602 53.050 0.179 0.000 0.978 255 N CB 0.396 38.908 38.487 0.043 0.000 1.206 255 N HN 0.721 nan 8.380 nan 0.000 0.536 256 F N 0.171 120.246 119.950 0.209 0.000 2.154 256 F HA -0.224 4.302 4.527 -0.001 0.000 0.301 256 F C 2.456 178.288 175.800 0.053 0.000 1.087 256 F CA 2.107 60.180 58.000 0.122 0.000 1.274 256 F CB -0.447 38.621 39.000 0.113 0.000 1.009 256 F HN 0.603 nan 8.300 nan 0.000 0.485 257 S N -0.546 115.247 115.700 0.155 0.000 2.387 257 S HA -0.210 4.259 4.470 -0.001 0.000 0.226 257 S C 2.105 176.709 174.600 0.005 0.000 1.026 257 S CA 1.025 59.271 58.200 0.075 0.000 0.972 257 S CB -0.959 62.324 63.200 0.137 0.000 0.814 257 S HN 0.476 nan 8.310 nan 0.000 0.477 258 F N 2.077 121.958 119.950 -0.115 0.000 2.069 258 F HA -0.188 4.339 4.527 -0.001 0.000 0.298 258 F C 2.496 178.123 175.800 -0.288 0.000 1.113 258 F CA 2.022 59.907 58.000 -0.190 0.000 1.214 258 F CB -0.803 38.074 39.000 -0.206 0.000 0.978 258 F HN 0.341 nan 8.300 nan 0.000 0.474 259 C N 0.217 119.487 119.300 -0.051 0.000 2.413 259 C HA -0.238 4.222 4.460 -0.001 0.000 0.276 259 C C 2.708 177.527 174.990 -0.284 0.000 1.248 259 C CA 1.384 60.265 59.018 -0.228 0.000 1.742 259 C CB -1.594 25.959 27.740 -0.312 0.000 2.017 259 C HN 0.623 nan 8.230 nan 0.000 0.481 260 Q N 0.786 120.369 119.800 -0.362 0.000 2.079 260 Q HA -0.191 4.149 4.340 -0.001 0.000 0.200 260 Q C 1.702 177.711 176.000 0.015 0.000 0.974 260 Q CA 1.692 57.355 55.803 -0.233 0.000 0.840 260 Q CB -0.105 28.470 28.738 -0.272 0.000 0.898 260 Q HN 0.612 nan 8.270 nan 0.000 0.430 261 D N 0.438 120.782 120.400 -0.094 0.000 2.097 261 D HA -0.165 4.474 4.640 -0.001 0.000 0.195 261 D C 2.033 178.257 176.300 -0.127 0.000 0.989 261 D CA 0.952 54.897 54.000 -0.091 0.000 0.827 261 D CB -0.297 40.393 40.800 -0.184 0.000 0.966 261 D HN 0.287 nan 8.370 nan 0.000 0.456 262 L N 0.130 121.182 121.223 -0.284 0.000 1.990 262 L HA -0.256 4.083 4.340 -0.001 0.000 0.213 262 L C 2.519 179.392 176.870 0.005 0.000 1.072 262 L CA 1.463 56.175 54.840 -0.214 0.000 0.755 262 L CB -0.674 41.120 42.059 -0.442 0.000 0.889 262 L HN 0.159 nan 8.230 nan 0.000 0.432 263 H N -0.741 118.286 119.070 -0.072 0.000 2.319 263 H HA -0.218 4.337 4.556 -0.001 0.000 0.297 263 H C 2.238 177.447 175.328 -0.198 0.000 1.097 263 H CA 2.423 58.397 56.048 -0.123 0.000 1.285 263 H CB 0.026 29.623 29.762 -0.275 0.000 1.368 263 H HN 0.388 nan 8.280 nan 0.000 0.495 264 H N -0.708 118.383 119.070 0.036 0.000 2.355 264 H HA 0.038 4.593 4.556 -0.001 0.000 0.303 264 H C 2.323 177.622 175.328 -0.049 0.000 1.061 264 H CA 1.063 57.108 56.048 -0.004 0.000 1.368 264 H CB 0.052 29.833 29.762 0.032 0.000 1.412 264 H HN 0.260 nan 8.280 nan 0.000 0.523 265 K N 0.538 120.976 120.400 0.062 0.000 2.077 265 K HA -0.261 4.058 4.320 -0.001 0.000 0.213 265 K C 2.330 178.919 176.600 -0.019 0.000 1.051 265 K CA 1.950 58.238 56.287 0.002 0.000 0.929 265 K CB -0.639 31.840 32.500 -0.035 0.000 0.715 265 K HN 0.366 nan 8.250 nan 0.000 0.451 266 c N 1.541 120.118 118.600 -0.039 0.000 2.541 266 c HA -0.028 4.541 4.570 -0.001 0.000 0.282 266 c C 2.767 176.802 174.090 -0.093 0.000 1.263 266 c CA 1.517 57.813 56.329 -0.054 0.000 1.709 266 c CB -0.943 41.546 42.510 -0.034 0.000 2.097 266 c HN 0.739 nan 8.230 nan 0.000 0.480 267 K N 1.203 121.502 120.400 -0.167 0.000 2.144 267 K HA -0.223 4.096 4.320 -0.001 0.000 0.209 267 K C 1.317 177.873 176.600 -0.074 0.000 1.047 267 K CA 2.387 58.577 56.287 -0.161 0.000 0.927 267 K CB -0.606 31.746 32.500 -0.246 0.000 0.716 267 K HN 0.515 nan 8.250 nan 0.000 0.454 268 N N 1.791 120.468 118.700 -0.038 0.000 2.058 268 N HA -0.106 4.633 4.740 -0.001 0.000 0.180 268 N C 0.604 176.098 175.510 -0.027 0.000 1.097 268 N CA 1.431 54.472 53.050 -0.015 0.000 0.921 268 N CB -1.090 37.399 38.487 0.004 0.000 1.033 268 N HN 0.487 nan 8.380 nan 0.000 0.437 269 S N 0.100 115.786 115.700 -0.023 0.000 2.506 269 S HA 0.490 4.959 4.470 -0.001 0.000 0.291 269 S C 0.511 175.087 174.600 -0.039 0.000 1.230 269 S CA -0.106 58.078 58.200 -0.026 0.000 1.107 269 S CB -0.796 62.392 63.200 -0.020 0.000 0.942 269 S HN 0.597 nan 8.310 nan 0.000 0.502 270 R N 1.889 122.361 120.500 -0.048 0.000 2.346 270 R HA 0.714 5.053 4.340 -0.001 0.000 0.309 270 R C 0.525 176.784 176.300 -0.069 0.000 1.119 270 R CA 0.055 56.116 56.100 -0.066 0.000 1.112 270 R CB -0.999 29.256 30.300 -0.075 0.000 1.132 270 R HN 1.233 nan 8.270 nan 0.000 0.538 274 c N 1.894 120.382 118.600 -0.186 0.000 2.657 274 c HA 0.802 5.371 4.570 -0.001 0.000 0.404 274 c C 0.395 174.292 174.090 -0.322 0.000 1.291 274 c CA -0.736 55.502 56.329 -0.152 0.000 2.218 274 c CB -0.175 42.321 42.510 -0.022 0.000 2.687 274 c HN 0.709 nan 8.230 nan 0.000 0.634 275 H N 1.047 120.104 119.070 -0.021 0.000 2.670 275 H HA 0.361 4.917 4.556 -0.001 0.000 0.361 275 H C -0.809 174.435 175.328 -0.139 0.000 1.169 275 H CA -0.483 55.474 56.048 -0.153 0.000 1.198 275 H CB 1.112 30.677 29.762 -0.329 0.000 1.700 275 H HN 0.700 nan 8.280 nan 0.000 0.542 276 Q N 1.689 121.451 119.800 -0.064 0.000 2.389 276 Q HA 0.145 4.484 4.340 -0.001 0.000 0.244 276 Q C -0.859 175.160 176.000 0.032 0.000 1.056 276 Q CA -0.300 55.406 55.803 -0.161 0.000 0.908 276 Q CB 0.179 28.659 28.738 -0.430 0.000 1.273 276 Q HN 0.379 nan 8.270 nan 0.000 0.471 277 Y N 1.276 121.642 120.300 0.109 0.000 2.597 277 Y HA 0.102 4.651 4.550 -0.001 0.000 0.336 277 Y C 0.757 176.734 175.900 0.130 0.000 1.216 277 Y CA -0.074 58.101 58.100 0.125 0.000 1.463 277 Y CB 0.447 38.961 38.460 0.090 0.000 1.303 277 Y HN 0.360 nan 8.280 nan 0.000 0.576 278 V N 1.246 121.246 119.914 0.144 0.000 3.141 278 V HA 0.654 4.773 4.120 -0.001 0.000 0.312 278 V C -0.720 175.393 176.094 0.033 0.000 1.157 278 V CA -1.421 60.905 62.300 0.042 0.000 1.041 278 V CB 2.336 34.176 31.823 0.029 0.000 1.071 278 V HN 0.546 nan 8.190 nan 0.000 0.441 279 I N 1.850 122.415 120.570 -0.007 0.000 2.378 279 I HA 0.654 4.823 4.170 -0.001 0.000 0.291 279 I C -0.844 175.343 176.117 0.116 0.000 0.992 279 I CA -0.153 61.145 61.300 -0.003 0.000 1.154 279 I CB 1.332 39.246 38.000 -0.143 0.000 1.315 279 I HN 0.912 nan 8.210 nan 0.000 0.448 280 H N 5.345 124.419 119.070 0.007 0.000 2.954 280 H HA 0.320 4.875 4.556 -0.001 0.000 0.361 280 H C -0.424 174.912 175.328 0.013 0.000 1.122 280 H CA -1.056 54.973 56.048 -0.032 0.000 1.217 280 H CB 1.132 30.815 29.762 -0.131 0.000 1.776 280 H HN 0.616 nan 8.280 nan 0.000 0.533 281 N N 4.386 122.727 118.700 -0.599 0.000 2.698 281 N HA -0.316 4.423 4.740 -0.001 0.000 0.258 281 N C -0.612 174.878 175.510 -0.033 0.000 0.978 281 N CA 0.649 53.510 53.050 -0.315 0.000 0.777 281 N CB -0.728 37.549 38.487 -0.350 0.000 0.907 281 N HN 0.750 nan 8.380 nan 0.000 0.543 282 N N -1.520 117.247 118.700 0.112 0.000 2.714 282 N HA -0.187 4.553 4.740 -0.001 0.000 0.250 282 N C -0.984 174.787 175.510 0.434 0.000 1.117 282 N CA 1.424 54.659 53.050 0.308 0.000 0.719 282 N CB -0.394 38.202 38.487 0.182 0.000 1.081 282 N HN 0.607 nan 8.380 nan 0.000 0.557 283 K N 0.134 120.717 120.400 0.305 0.000 2.259 283 K HA 0.430 4.749 4.320 -0.001 0.000 0.252 283 K C -0.235 176.514 176.600 0.247 0.000 0.936 283 K CA -0.566 55.900 56.287 0.298 0.000 0.810 283 K CB 2.560 35.183 32.500 0.204 0.000 1.143 283 K HN 0.134 nan 8.250 nan 0.000 0.427 284 C N 5.903 125.386 119.300 0.305 0.000 2.256 284 C HA 0.532 4.991 4.460 -0.001 0.000 0.333 284 C C 0.156 175.443 174.990 0.494 0.000 1.183 284 C CA -0.570 58.632 59.018 0.307 0.000 1.692 284 C CB -1.934 25.970 27.740 0.273 0.000 2.274 284 C HN 0.779 nan 8.230 nan 0.000 0.509 285 I N 3.937 124.731 120.570 0.374 0.000 2.892 285 I HA 0.564 4.733 4.170 -0.001 0.000 0.306 285 I C -2.357 173.740 176.117 -0.033 0.000 1.078 285 I CA -2.706 58.746 61.300 0.254 0.000 1.032 285 I CB 1.722 39.783 38.000 0.101 0.000 1.229 285 I HN 0.157 nan 8.210 nan 0.000 0.435 286 P HA -0.112 nan 4.420 nan 0.000 0.217 286 P C -0.548 176.468 177.300 -0.474 0.000 1.150 286 P CA 1.433 63.959 63.100 -0.958 0.000 0.832 286 P CB 0.125 31.176 31.700 -1.082 0.000 0.787 287 E N -3.047 116.996 120.200 -0.260 0.000 2.412 287 E HA 0.322 4.671 4.350 -0.001 0.000 0.279 287 E C -1.250 175.295 176.600 -0.091 0.000 0.984 287 E CA -1.052 55.269 56.400 -0.132 0.000 0.788 287 E CB 0.578 30.221 29.700 -0.094 0.000 1.277 287 E HN -0.264 nan 8.360 nan 0.000 0.455 288 c N 3.387 121.951 118.600 -0.059 0.000 2.634 288 c HA 0.237 4.806 4.570 -0.001 0.000 0.417 288 c C -1.437 172.594 174.090 -0.099 0.000 1.334 288 c CA -0.593 55.684 56.329 -0.086 0.000 1.829 288 c CB -0.932 41.575 42.510 -0.006 0.000 2.665 288 c HN 0.622 nan 8.230 nan 0.000 0.614 289 P HA 0.081 nan 4.420 nan 0.000 0.274 289 P C -0.351 176.965 177.300 0.028 0.000 1.260 289 P CA -0.023 63.001 63.100 -0.127 0.000 0.793 289 P CB 0.339 31.872 31.700 -0.278 0.000 1.048 290 S N -1.004 114.729 115.700 0.054 0.000 2.533 290 S HA 0.379 4.848 4.470 -0.001 0.000 0.282 290 S C 1.274 175.959 174.600 0.142 0.000 1.304 290 S CA 0.765 59.010 58.200 0.076 0.000 1.063 290 S CB -1.341 61.887 63.200 0.046 0.000 0.881 290 S HN 0.927 nan 8.310 nan 0.000 0.493 291 G N 2.916 111.753 108.800 0.062 0.000 2.175 291 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.244 291 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.244 291 G C -0.258 174.493 174.900 -0.248 0.000 0.982 291 G CA 0.383 45.445 45.100 -0.063 0.000 0.641 291 G HN 0.720 nan 8.290 nan 0.000 0.527 292 Y N -0.321 119.942 120.300 -0.061 0.000 2.562 292 Y HA 0.800 5.350 4.550 -0.001 0.000 0.343 292 Y C 0.541 176.411 175.900 -0.048 0.000 1.025 292 Y CA -0.051 58.008 58.100 -0.069 0.000 1.082 292 Y CB 2.450 40.815 38.460 -0.158 0.000 1.264 292 Y HN 0.214 nan 8.280 nan 0.000 0.478 293 T N 1.941 116.566 114.554 0.118 0.000 2.816 293 T HA 0.575 4.924 4.350 -0.001 0.000 0.299 293 T C -1.855 172.894 174.700 0.081 0.000 1.230 293 T CA -0.740 61.405 62.100 0.075 0.000 1.007 293 T CB 1.261 70.151 68.868 0.038 0.000 1.289 293 T HN 0.509 nan 8.240 nan 0.000 0.508 294 M N 3.998 123.634 119.600 0.062 0.000 2.067 294 M HA 0.468 4.947 4.480 -0.001 0.000 0.286 294 M C -0.768 175.561 176.300 0.048 0.000 0.922 294 M CA -0.501 54.831 55.300 0.055 0.000 0.937 294 M CB 0.983 33.611 32.600 0.046 0.000 1.550 294 M HN 0.742 nan 8.290 nan 0.000 0.433 295 N N 1.382 120.107 118.700 0.042 0.000 2.200 295 N HA 0.169 4.908 4.740 -0.001 0.000 0.224 295 N C -0.639 174.893 175.510 0.037 0.000 1.179 295 N CA 0.089 53.163 53.050 0.041 0.000 0.877 295 N CB 0.800 39.309 38.487 0.036 0.000 1.072 295 N HN 0.548 nan 8.380 nan 0.000 0.519 296 S N -1.551 114.165 115.700 0.028 0.000 2.664 296 S HA 0.390 4.860 4.470 -0.001 0.000 0.304 296 S C 1.162 175.774 174.600 0.019 0.000 1.099 296 S CA -0.310 57.908 58.200 0.030 0.000 1.003 296 S CB 1.046 64.268 63.200 0.036 0.000 1.092 296 S HN 0.231 nan 8.310 nan 0.000 0.525 297 S N 2.005 117.733 115.700 0.046 0.000 2.522 297 S HA -0.082 4.388 4.470 -0.001 0.000 0.227 297 S C 1.234 175.903 174.600 0.115 0.000 0.986 297 S CA 0.873 59.116 58.200 0.072 0.000 0.929 297 S CB -0.760 62.496 63.200 0.094 0.000 0.769 297 S HN 0.835 nan 8.310 nan 0.000 0.529 298 N N 2.265 121.025 118.700 0.099 0.000 2.550 298 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 298 N C 0.925 176.552 175.510 0.195 0.000 1.110 298 N CA 0.690 53.836 53.050 0.161 0.000 0.912 298 N CB -0.940 37.594 38.487 0.079 0.000 0.968 298 N HN 0.542 nan 8.380 nan 0.000 0.448 299 L N -2.602 118.635 121.223 0.023 0.000 4.884 299 L HA -0.226 4.113 4.340 -0.001 0.000 0.430 299 L C -0.448 176.405 176.870 -0.028 0.000 1.087 299 L CA 0.194 54.965 54.840 -0.116 0.000 1.033 299 L CB -1.523 40.396 42.059 -0.234 0.000 2.030 299 L HN 0.257 nan 8.230 nan 0.000 0.762 300 L N 0.907 122.156 121.223 0.044 0.000 2.276 300 L HA 0.388 4.727 4.340 -0.001 0.000 0.286 300 L C 0.534 177.467 176.870 0.104 0.000 1.061 300 L CA -0.006 54.883 54.840 0.083 0.000 0.807 300 L CB 1.142 43.263 42.059 0.104 0.000 1.177 300 L HN 0.120 nan 8.230 nan 0.000 0.429 301 c N 3.706 122.385 118.600 0.132 0.000 2.648 301 c HA 0.503 5.072 4.570 -0.001 0.000 0.415 301 c C 0.759 175.036 174.090 0.312 0.000 1.366 301 c CA -0.214 56.219 56.329 0.173 0.000 1.756 301 c CB -1.118 41.418 42.510 0.044 0.000 2.549 301 c HN 0.899 nan 8.230 nan 0.000 0.597 302 T N 1.775 116.509 114.554 0.300 0.000 2.907 302 T HA 0.571 4.920 4.350 -0.001 0.000 0.292 302 T C -3.118 171.626 174.700 0.074 0.000 1.043 302 T CA -2.051 60.203 62.100 0.258 0.000 1.003 302 T CB 1.687 70.627 68.868 0.121 0.000 1.084 302 T HN 0.266 nan 8.240 nan 0.000 0.483 303 P HA 0.247 nan 4.420 nan 0.000 0.268 303 P C -0.192 176.966 177.300 -0.236 0.000 1.204 303 P CA -0.541 62.252 63.100 -0.510 0.000 0.768 303 P CB 0.072 31.541 31.700 -0.385 0.000 0.842 304 C N 4.039 123.199 119.300 -0.233 0.000 2.634 304 C HA 0.053 4.512 4.460 -0.001 0.000 0.418 304 C C 1.080 176.022 174.990 -0.080 0.000 1.373 304 C CA -0.174 58.779 59.018 -0.109 0.000 1.756 304 C CB -1.234 26.456 27.740 -0.083 0.000 2.589 304 C HN 0.458 nan 8.230 nan 0.000 0.602 305 L N 5.282 126.478 121.223 -0.044 0.000 2.385 305 L HA 0.399 4.738 4.340 -0.001 0.000 0.285 305 L C 1.252 178.110 176.870 -0.021 0.000 1.125 305 L CA 0.751 55.573 54.840 -0.029 0.000 0.890 305 L CB -1.044 41.007 42.059 -0.015 0.000 1.251 305 L HN 1.178 nan 8.230 nan 0.000 0.445 306 G N 5.169 113.955 108.800 -0.024 0.000 2.528 306 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.262 306 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.262 306 G C -2.689 172.201 174.900 -0.017 0.000 1.200 306 G CA -0.773 44.319 45.100 -0.014 0.000 0.951 306 G HN 0.498 nan 8.290 nan 0.000 0.566 307 P HA 0.507 nan 4.420 nan 0.000 0.284 307 P C -0.012 177.288 177.300 0.001 0.000 1.253 307 P CA -0.532 62.568 63.100 0.000 0.000 0.800 307 P CB 1.430 33.139 31.700 0.016 0.000 0.961 308 C N 4.858 124.157 119.300 -0.002 0.000 2.637 308 C HA 0.273 4.732 4.460 -0.001 0.000 0.418 308 C C -1.842 173.158 174.990 0.016 0.000 1.319 308 C CA -1.159 57.861 59.018 0.003 0.000 1.949 308 C CB -0.973 26.768 27.740 0.003 0.000 2.639 308 C HN 0.519 nan 8.230 nan 0.000 0.594 309 P HA 0.218 nan 4.420 nan 0.000 0.267 309 P C -1.199 176.118 177.300 0.028 0.000 1.200 309 P CA 0.282 63.397 63.100 0.025 0.000 0.772 309 P CB 0.254 31.969 31.700 0.025 0.000 0.855 310 K N 1.509 121.928 120.400 0.033 0.000 2.670 310 K HA 0.287 4.606 4.320 -0.001 0.000 0.274 310 K C -1.629 174.995 176.600 0.040 0.000 1.068 310 K CA -0.522 55.785 56.287 0.034 0.000 0.967 310 K CB 1.073 33.594 32.500 0.034 0.000 1.297 310 K HN 0.079 nan 8.250 nan 0.000 0.477 311 V N 4.150 124.088 119.914 0.040 0.000 2.455 311 V HA 0.222 4.341 4.120 -0.001 0.000 0.273 311 V C -0.152 175.977 176.094 0.058 0.000 1.045 311 V CA -0.508 61.821 62.300 0.049 0.000 0.976 311 V CB 0.806 32.658 31.823 0.048 0.000 0.993 311 V HN 0.781 nan 8.190 nan 0.000 0.475 312 C N 5.751 125.087 119.300 0.060 0.000 2.271 312 C HA 0.370 4.829 4.460 -0.001 0.000 0.323 312 C C 0.236 175.265 174.990 0.066 0.000 1.245 312 C CA -0.856 58.198 59.018 0.061 0.000 1.548 312 C CB -0.613 27.152 27.740 0.042 0.000 2.214 312 C HN 0.879 nan 8.230 nan 0.000 0.477 313 H N 3.939 123.010 119.070 0.002 0.000 2.552 313 H HA 0.400 4.955 4.556 -0.001 0.000 0.311 313 H C -0.970 174.354 175.328 -0.006 0.000 1.071 313 H CA -0.225 55.820 56.048 -0.004 0.000 1.307 313 H CB 0.796 30.555 29.762 -0.006 0.000 1.416 313 H HN 0.672 nan 8.280 nan 0.000 0.464 314 L N 7.692 128.689 121.223 -0.376 0.000 2.259 314 L HA 0.107 4.446 4.340 -0.001 0.000 0.288 314 L C 1.529 178.258 176.870 -0.235 0.000 1.051 314 L CA -0.386 54.327 54.840 -0.211 0.000 0.824 314 L CB 1.150 43.100 42.059 -0.180 0.000 1.206 314 L HN 0.603 nan 8.230 nan 0.000 0.429 315 L N 2.026 123.233 121.223 -0.027 0.000 2.201 315 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 315 L C 1.707 178.576 176.870 -0.001 0.000 1.105 315 L CA 1.241 56.109 54.840 0.048 0.000 0.775 315 L CB -0.185 41.925 42.059 0.084 0.000 0.913 315 L HN 0.667 nan 8.230 nan 0.000 0.440 316 E N -0.377 119.806 120.200 -0.028 0.000 2.489 316 E HA 0.059 4.408 4.350 -0.001 0.000 0.193 316 E C 1.669 178.237 176.600 -0.052 0.000 1.057 316 E CA 0.459 56.842 56.400 -0.029 0.000 0.866 316 E CB 0.228 29.914 29.700 -0.023 0.000 0.916 316 E HN 0.502 nan 8.360 nan 0.000 0.500 317 G N 1.525 110.268 108.800 -0.095 0.000 2.779 317 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.230 317 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.230 317 G C 0.260 175.075 174.900 -0.143 0.000 1.243 317 G CA 0.610 45.642 45.100 -0.114 0.000 0.769 317 G HN 0.356 nan 8.290 nan 0.000 0.516 318 E N 0.179 120.312 120.200 -0.111 0.000 2.227 318 E HA 0.714 5.063 4.350 -0.001 0.000 0.268 318 E C -0.313 176.237 176.600 -0.084 0.000 0.907 318 E CA -0.663 55.659 56.400 -0.129 0.000 0.786 318 E CB 2.163 31.809 29.700 -0.090 0.000 1.191 318 E HN 0.378 nan 8.360 nan 0.000 0.411 319 K N 1.112 121.464 120.400 -0.079 0.000 2.397 319 K HA 0.442 4.761 4.320 -0.001 0.000 0.253 319 K C -1.249 175.338 176.600 -0.022 0.000 0.932 319 K CA -0.505 55.758 56.287 -0.039 0.000 0.795 319 K CB 1.596 34.080 32.500 -0.026 0.000 1.159 319 K HN 0.444 nan 8.250 nan 0.000 0.424 320 T N 4.813 119.361 114.554 -0.009 0.000 2.744 320 T HA 0.367 4.717 4.350 -0.001 0.000 0.291 320 T C -0.197 174.507 174.700 0.007 0.000 0.957 320 T CA -0.565 61.537 62.100 0.004 0.000 1.002 320 T CB 0.320 69.188 68.868 -0.001 0.000 0.919 320 T HN 0.339 nan 8.240 nan 0.000 0.468 321 I N 4.920 125.502 120.570 0.019 0.000 2.307 321 I HA 0.276 4.446 4.170 -0.001 0.000 0.289 321 I C 0.448 176.559 176.117 -0.010 0.000 1.021 321 I CA -0.717 60.585 61.300 0.004 0.000 1.224 321 I CB 1.073 39.079 38.000 0.011 0.000 1.376 321 I HN 0.711 nan 8.210 nan 0.000 0.470 322 D N 2.790 123.178 120.400 -0.021 0.000 2.513 322 D HA 0.126 4.766 4.640 -0.001 0.000 0.222 322 D C 0.192 176.470 176.300 -0.038 0.000 1.210 322 D CA -0.161 53.825 54.000 -0.023 0.000 0.825 322 D CB 0.527 41.319 40.800 -0.014 0.000 1.037 322 D HN 0.422 nan 8.370 nan 0.000 0.506 323 S N -2.082 113.587 115.700 -0.053 0.000 2.636 323 S HA 0.274 4.743 4.470 -0.001 0.000 0.266 323 S C 0.414 174.969 174.600 -0.076 0.000 1.147 323 S CA -0.388 57.777 58.200 -0.059 0.000 0.815 323 S CB 0.978 64.153 63.200 -0.042 0.000 1.119 323 S HN -0.201 nan 8.310 nan 0.000 0.470 324 V N 1.364 121.233 119.914 -0.076 0.000 2.427 324 V HA -0.106 4.013 4.120 -0.001 0.000 0.248 324 V C 2.749 178.808 176.094 -0.057 0.000 1.051 324 V CA 2.617 64.869 62.300 -0.080 0.000 1.048 324 V CB -1.318 30.461 31.823 -0.073 0.000 0.666 324 V HN 1.019 nan 8.190 nan 0.000 0.456 325 T N 0.544 115.072 114.554 -0.044 0.000 2.720 325 T HA -0.187 4.162 4.350 -0.001 0.000 0.268 325 T C 2.109 176.792 174.700 -0.028 0.000 1.037 325 T CA 2.025 64.106 62.100 -0.032 0.000 1.144 325 T CB -0.301 68.551 68.868 -0.027 0.000 0.864 325 T HN 0.748 nan 8.240 nan 0.000 0.444 326 S N 1.705 117.387 115.700 -0.030 0.000 2.402 326 S HA 0.085 4.554 4.470 -0.001 0.000 0.229 326 S C 2.424 177.011 174.600 -0.021 0.000 1.021 326 S CA 0.822 59.009 58.200 -0.022 0.000 0.974 326 S CB -0.553 62.635 63.200 -0.020 0.000 0.800 326 S HN 0.494 nan 8.310 nan 0.000 0.484 327 A N 1.691 124.488 122.820 -0.039 0.000 1.902 327 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 327 A C 2.327 179.898 177.584 -0.021 0.000 1.181 327 A CA 1.534 53.546 52.037 -0.042 0.000 0.623 327 A CB -0.919 18.023 19.000 -0.096 0.000 0.818 327 A HN 0.592 nan 8.150 nan 0.000 0.443 328 Q N -0.510 119.275 119.800 -0.026 0.000 2.181 328 Q HA -0.211 4.128 4.340 -0.001 0.000 0.205 328 Q C 1.725 177.723 176.000 -0.002 0.000 0.980 328 Q CA 1.486 57.280 55.803 -0.014 0.000 0.862 328 Q CB -0.186 28.541 28.738 -0.018 0.000 0.905 328 Q HN 0.766 nan 8.270 nan 0.000 0.429 329 E N -0.017 120.182 120.200 -0.002 0.000 2.331 329 E HA -0.167 4.182 4.350 -0.001 0.000 0.199 329 E C 1.191 177.801 176.600 0.016 0.000 1.008 329 E CA 0.623 57.026 56.400 0.005 0.000 0.843 329 E CB 0.072 29.774 29.700 0.002 0.000 0.761 329 E HN 0.387 nan 8.360 nan 0.000 0.507 330 L N 0.301 121.538 121.223 0.024 0.000 2.728 330 L HA 0.149 4.489 4.340 -0.001 0.000 0.238 330 L C 0.958 177.855 176.870 0.045 0.000 1.143 330 L CA -0.388 54.477 54.840 0.042 0.000 0.937 330 L CB 0.200 42.297 42.059 0.064 0.000 1.225 330 L HN -0.056 nan 8.230 nan 0.000 0.507 331 R N 0.935 121.453 120.500 0.030 0.000 2.537 331 R HA 0.082 4.421 4.340 -0.001 0.000 0.281 331 R C 1.225 177.546 176.300 0.034 0.000 0.988 331 R CA 1.275 57.393 56.100 0.029 0.000 1.077 331 R CB 0.252 30.561 30.300 0.015 0.000 0.932 331 R HN 0.344 nan 8.270 nan 0.000 0.409 332 G N 2.715 111.539 108.800 0.040 0.000 2.267 332 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.257 332 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.257 332 G C 0.371 175.301 174.900 0.049 0.000 0.998 332 G CA 0.169 45.293 45.100 0.040 0.000 0.620 332 G HN 0.811 nan 8.290 nan 0.000 0.529 333 C N 2.409 121.743 119.300 0.058 0.000 2.634 333 C HA 0.561 5.021 4.460 -0.001 0.000 0.418 333 C C 2.227 177.262 174.990 0.076 0.000 1.373 333 C CA 1.671 60.728 59.018 0.065 0.000 1.756 333 C CB 0.167 27.950 27.740 0.072 0.000 2.589 333 C HN 0.952 nan 8.230 nan 0.000 0.602 334 T N 2.188 116.781 114.554 0.065 0.000 2.959 334 T HA 0.276 4.625 4.350 -0.001 0.000 0.254 334 T C 0.018 174.754 174.700 0.059 0.000 1.003 334 T CA 0.013 62.152 62.100 0.065 0.000 0.950 334 T CB 0.050 68.948 68.868 0.050 0.000 1.090 334 T HN 0.510 nan 8.240 nan 0.000 0.503 335 V N 2.683 122.629 119.914 0.053 0.000 2.623 335 V HA 0.491 4.611 4.120 -0.001 0.000 0.304 335 V C -1.155 174.964 176.094 0.042 0.000 1.054 335 V CA -1.090 61.236 62.300 0.044 0.000 0.882 335 V CB 2.088 33.934 31.823 0.039 0.000 1.002 335 V HN 0.330 nan 8.190 nan 0.000 0.424 336 I N 4.361 124.949 120.570 0.030 0.000 2.339 336 I HA 0.380 4.549 4.170 -0.001 0.000 0.290 336 I C -0.023 176.083 176.117 -0.018 0.000 0.994 336 I CA -0.227 61.078 61.300 0.008 0.000 1.191 336 I CB 1.672 39.675 38.000 0.005 0.000 1.343 336 I HN 0.599 nan 8.210 nan 0.000 0.458 337 N N 5.574 124.251 118.700 -0.038 0.000 2.485 337 N HA 0.579 5.318 4.740 -0.001 0.000 0.243 337 N C -0.136 175.247 175.510 -0.212 0.000 0.987 337 N CA 0.259 53.263 53.050 -0.076 0.000 0.940 337 N CB 1.380 39.892 38.487 0.042 0.000 1.122 337 N HN 0.954 nan 8.380 nan 0.000 0.509 338 G N 1.386 110.086 108.800 -0.166 0.000 2.325 338 G HA2 0.018 3.978 3.960 -0.001 0.000 0.285 338 G HA3 0.018 3.978 3.960 -0.001 0.000 0.285 338 G C -1.782 172.991 174.900 -0.211 0.000 1.303 338 G CA -0.735 44.247 45.100 -0.197 0.000 0.970 338 G HN 0.457 nan 8.290 nan 0.000 0.490 339 S N -0.693 114.821 115.700 -0.310 0.000 2.542 339 S HA 0.800 5.269 4.470 -0.001 0.000 0.293 339 S C -0.421 173.966 174.600 -0.355 0.000 1.089 339 S CA -0.664 57.230 58.200 -0.510 0.000 0.961 339 S CB 1.631 64.131 63.200 -1.167 0.000 1.062 339 S HN 0.652 nan 8.310 nan 0.000 0.483 340 L N 2.611 123.680 121.223 -0.257 0.000 2.322 340 L HA 0.586 4.925 4.340 -0.001 0.000 0.281 340 L C -1.356 175.499 176.870 -0.025 0.000 1.014 340 L CA -0.787 54.013 54.840 -0.067 0.000 0.815 340 L CB 1.313 43.424 42.059 0.087 0.000 1.247 340 L HN 0.511 nan 8.230 nan 0.000 0.421 341 I N 4.566 125.143 120.570 0.012 0.000 2.355 341 I HA 0.299 4.468 4.170 -0.001 0.000 0.288 341 I C -0.194 175.969 176.117 0.078 0.000 0.999 341 I CA -0.184 61.147 61.300 0.051 0.000 1.163 341 I CB 1.411 39.430 38.000 0.031 0.000 1.316 341 I HN 0.266 nan 8.210 nan 0.000 0.454 342 I N 5.528 126.167 120.570 0.115 0.000 2.297 342 I HA 0.243 4.412 4.170 -0.001 0.000 0.291 342 I C 0.196 176.360 176.117 0.078 0.000 1.033 342 I CA -0.189 61.183 61.300 0.120 0.000 1.253 342 I CB 0.463 38.593 38.000 0.217 0.000 1.396 342 I HN 0.589 nan 8.210 nan 0.000 0.476 343 N N 7.682 126.409 118.700 0.045 0.000 2.723 343 N HA 0.342 5.081 4.740 -0.001 0.000 0.290 343 N C -1.121 174.400 175.510 0.019 0.000 1.882 343 N CA -0.235 52.837 53.050 0.036 0.000 0.851 343 N CB 0.194 38.697 38.487 0.025 0.000 1.234 343 N HN 0.475 nan 8.380 nan 0.000 0.491 344 I N 1.737 122.316 120.570 0.015 0.000 2.306 344 I HA 0.348 4.517 4.170 -0.001 0.000 0.288 344 I C 0.562 176.697 176.117 0.030 0.000 1.036 344 I CA -0.604 60.691 61.300 -0.009 0.000 1.221 344 I CB 0.660 38.621 38.000 -0.067 0.000 1.385 344 I HN 0.037 nan 8.210 nan 0.000 0.472 345 R N 3.727 124.247 120.500 0.033 0.000 2.543 345 R HA 0.686 5.026 4.340 -0.001 0.000 0.268 345 R C 0.958 177.296 176.300 0.064 0.000 1.067 345 R CA 0.037 56.175 56.100 0.064 0.000 1.142 345 R CB 1.055 31.361 30.300 0.009 0.000 1.110 345 R HN 0.871 nan 8.270 nan 0.000 0.549 346 G N -1.028 107.837 108.800 0.109 0.000 2.797 346 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.195 346 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.195 346 G C 0.736 175.744 174.900 0.181 0.000 1.026 346 G CA 0.067 45.208 45.100 0.068 0.000 0.759 346 G HN 1.072 nan 8.290 nan 0.000 0.475 347 G N 0.407 109.424 108.800 0.361 0.000 2.199 347 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.254 347 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.254 347 G C 0.361 175.328 174.900 0.112 0.000 0.982 347 G CA 1.041 46.337 45.100 0.327 0.000 0.632 347 G HN 1.922 nan 8.290 nan 0.000 0.529 348 N N 1.209 119.950 118.700 0.068 0.000 2.444 348 N HA 0.219 4.958 4.740 -0.001 0.000 0.255 348 N C 0.110 175.614 175.510 -0.011 0.000 1.255 348 N CA 0.341 53.401 53.050 0.018 0.000 0.933 348 N CB 0.128 38.616 38.487 0.002 0.000 1.143 348 N HN 0.770 nan 8.380 nan 0.000 0.453 349 N N 0.751 119.438 118.700 -0.022 0.000 2.431 349 N HA 0.085 4.824 4.740 -0.001 0.000 0.265 349 N C -0.434 175.042 175.510 -0.056 0.000 1.184 349 N CA -0.506 52.521 53.050 -0.038 0.000 0.943 349 N CB 0.606 39.074 38.487 -0.031 0.000 1.080 349 N HN 0.469 nan 8.380 nan 0.000 0.477 350 L N 2.329 123.503 121.223 -0.082 0.000 3.059 350 L HA 0.378 4.717 4.340 -0.001 0.000 0.298 350 L C 0.300 177.064 176.870 -0.176 0.000 1.304 350 L CA 0.057 54.823 54.840 -0.123 0.000 0.855 350 L CB 0.013 41.990 42.059 -0.138 0.000 1.266 350 L HN 0.901 nan 8.230 nan 0.000 0.572 351 A N -0.460 122.287 122.820 -0.121 0.000 2.055 351 A HA 0.362 4.681 4.320 -0.001 0.000 0.205 351 A C 2.051 179.591 177.584 -0.074 0.000 1.235 351 A CA 0.954 52.928 52.037 -0.104 0.000 0.822 351 A CB 0.238 19.215 19.000 -0.038 0.000 0.903 351 A HN 0.410 nan 8.150 nan 0.000 0.473 352 A N -0.082 122.703 122.820 -0.059 0.000 1.897 352 A HA -0.047 4.273 4.320 -0.001 0.000 0.215 352 A C 1.883 179.434 177.584 -0.054 0.000 1.181 352 A CA 1.471 53.485 52.037 -0.038 0.000 0.620 352 A CB -0.367 18.615 19.000 -0.029 0.000 0.821 352 A HN 0.354 nan 8.150 nan 0.000 0.443 353 E N 0.202 120.352 120.200 -0.082 0.000 2.077 353 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 353 E C 2.019 178.543 176.600 -0.126 0.000 0.989 353 E CA 1.035 57.380 56.400 -0.091 0.000 0.800 353 E CB -0.353 29.291 29.700 -0.093 0.000 0.746 353 E HN 0.669 nan 8.360 nan 0.000 0.452 354 L N 0.439 121.531 121.223 -0.217 0.000 2.141 354 L HA -0.122 4.217 4.340 -0.001 0.000 0.209 354 L C 2.542 179.338 176.870 -0.123 0.000 1.094 354 L CA 0.924 55.566 54.840 -0.330 0.000 0.763 354 L CB -0.270 41.270 42.059 -0.864 0.000 0.908 354 L HN 0.121 nan 8.230 nan 0.000 0.437 355 E N 0.440 120.625 120.200 -0.026 0.000 2.107 355 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 355 E C 2.262 178.892 176.600 0.050 0.000 0.982 355 E CA 0.933 57.378 56.400 0.075 0.000 0.809 355 E CB 0.080 29.829 29.700 0.083 0.000 0.756 355 E HN 0.438 nan 8.360 nan 0.000 0.459 356 A N 1.330 124.157 122.820 0.011 0.000 1.902 356 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 356 A C 1.881 179.477 177.584 0.020 0.000 1.181 356 A CA 1.643 53.688 52.037 0.013 0.000 0.623 356 A CB -0.399 18.598 19.000 -0.006 0.000 0.818 356 A HN 0.263 nan 8.150 nan 0.000 0.443 357 N N -0.786 117.917 118.700 0.005 0.000 2.402 357 N HA 0.127 4.866 4.740 -0.001 0.000 0.174 357 N C 1.271 176.812 175.510 0.051 0.000 1.027 357 N CA 0.881 53.939 53.050 0.014 0.000 0.891 357 N CB 0.133 38.609 38.487 -0.018 0.000 1.016 357 N HN 0.460 nan 8.380 nan 0.000 0.439 358 L N -0.567 120.696 121.223 0.066 0.000 2.731 358 L HA 0.328 4.667 4.340 -0.001 0.000 0.240 358 L C 1.963 178.971 176.870 0.231 0.000 1.120 358 L CA -0.028 54.900 54.840 0.148 0.000 0.913 358 L CB 0.214 42.316 42.059 0.072 0.000 1.213 358 L HN 0.015 nan 8.230 nan 0.000 0.515 359 G N 0.489 109.395 108.800 0.175 0.000 2.598 359 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.215 359 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.215 359 G C 1.363 176.374 174.900 0.185 0.000 1.131 359 G CA 0.281 45.498 45.100 0.194 0.000 0.785 359 G HN 0.264 nan 8.290 nan 0.000 0.539 360 L N 0.198 121.516 121.223 0.158 0.000 2.607 360 L HA 0.365 4.704 4.340 -0.001 0.000 0.228 360 L C 0.532 177.485 176.870 0.139 0.000 1.123 360 L CA -0.286 54.631 54.840 0.127 0.000 0.890 360 L CB 0.109 42.221 42.059 0.089 0.000 1.103 360 L HN 0.073 nan 8.230 nan 0.000 0.468 361 I N 0.748 121.435 120.570 0.195 0.000 2.517 361 I HA -0.061 4.108 4.170 -0.001 0.000 0.285 361 I C 1.060 177.262 176.117 0.140 0.000 1.106 361 I CA 0.488 61.894 61.300 0.176 0.000 1.402 361 I CB 0.868 39.013 38.000 0.243 0.000 1.399 361 I HN 0.182 nan 8.210 nan 0.000 0.535 362 E N 4.336 124.585 120.200 0.082 0.000 2.389 362 E HA 0.064 4.413 4.350 -0.001 0.000 0.199 362 E C 0.252 176.861 176.600 0.016 0.000 0.978 362 E CA 0.169 56.596 56.400 0.046 0.000 0.912 362 E CB 0.620 30.338 29.700 0.031 0.000 0.907 362 E HN 0.649 nan 8.360 nan 0.000 0.494 363 E N 0.736 120.947 120.200 0.019 0.000 2.343 363 E HA 0.389 4.738 4.350 -0.001 0.000 0.278 363 E C -1.541 175.059 176.600 0.000 0.000 0.910 363 E CA -0.499 55.902 56.400 0.001 0.000 0.757 363 E CB 1.620 31.324 29.700 0.007 0.000 1.218 363 E HN -0.064 nan 8.360 nan 0.000 0.435 364 I N 3.699 124.260 120.570 -0.015 0.000 2.447 364 I HA 0.124 4.293 4.170 -0.001 0.000 0.287 364 I C 1.006 177.115 176.117 -0.014 0.000 1.023 364 I CA -0.471 60.815 61.300 -0.022 0.000 1.083 364 I CB 2.047 40.022 38.000 -0.042 0.000 1.245 364 I HN 0.718 nan 8.210 nan 0.000 0.434 365 S N 3.170 118.859 115.700 -0.019 0.000 2.453 365 S HA 0.047 4.516 4.470 -0.001 0.000 0.231 365 S C 1.087 175.687 174.600 -0.001 0.000 1.005 365 S CA 0.545 58.742 58.200 -0.005 0.000 0.949 365 S CB 0.034 63.232 63.200 -0.002 0.000 0.774 365 S HN 0.750 nan 8.310 nan 0.000 0.510 366 G N 0.789 109.569 108.800 -0.034 0.000 3.365 366 G HA2 0.551 4.510 3.960 -0.001 0.000 0.185 366 G HA3 0.551 4.510 3.960 -0.001 0.000 0.185 366 G C -0.280 174.655 174.900 0.059 0.000 1.565 366 G CA -0.367 44.721 45.100 -0.019 0.000 0.984 366 G HN 0.573 nan 8.290 nan 0.000 0.604 367 Y N -1.713 118.594 120.300 0.012 0.000 2.621 367 Y HA 0.811 5.360 4.550 -0.001 0.000 0.334 367 Y C -1.045 174.862 175.900 0.011 0.000 1.074 367 Y CA -1.899 56.219 58.100 0.029 0.000 1.149 367 Y CB 1.684 40.154 38.460 0.017 0.000 1.302 367 Y HN 0.432 nan 8.280 nan 0.000 0.501 368 L N 2.524 123.893 121.223 0.243 0.000 2.381 368 L HA 0.596 4.935 4.340 -0.001 0.000 0.274 368 L C -1.225 175.650 176.870 0.009 0.000 0.988 368 L CA -0.964 53.939 54.840 0.105 0.000 0.824 368 L CB 1.760 43.899 42.059 0.135 0.000 1.263 368 L HN 0.855 nan 8.230 nan 0.000 0.410 369 K N 5.775 126.197 120.400 0.035 0.000 2.426 369 K HA 0.652 4.972 4.320 -0.001 0.000 0.254 369 K C -1.675 174.919 176.600 -0.010 0.000 0.936 369 K CA -0.621 55.646 56.287 -0.034 0.000 0.801 369 K CB 1.250 33.762 32.500 0.020 0.000 1.139 369 K HN 0.587 nan 8.250 nan 0.000 0.424 370 I N 4.746 125.287 120.570 -0.048 0.000 2.382 370 I HA 0.428 4.597 4.170 -0.001 0.000 0.286 370 I C -0.509 175.662 176.117 0.090 0.000 1.002 370 I CA -0.497 60.834 61.300 0.052 0.000 1.135 370 I CB 1.079 39.120 38.000 0.068 0.000 1.288 370 I HN 0.713 nan 8.210 nan 0.000 0.448 371 R N 6.277 126.837 120.500 0.102 0.000 2.533 371 R HA 0.445 4.784 4.340 -0.001 0.000 0.288 371 R C -0.246 176.113 176.300 0.098 0.000 1.039 371 R CA -0.557 55.614 56.100 0.118 0.000 0.909 371 R CB 1.344 31.711 30.300 0.112 0.000 1.195 371 R HN 0.652 nan 8.270 nan 0.000 0.438 372 R N 1.218 121.783 120.500 0.109 0.000 3.741 372 R HA -0.120 4.219 4.340 -0.001 0.000 0.292 372 R C -0.708 175.660 176.300 0.113 0.000 1.176 372 R CA 1.128 57.291 56.100 0.105 0.000 0.794 372 R CB -1.745 28.599 30.300 0.074 0.000 1.213 372 R HN 0.515 nan 8.270 nan 0.000 0.494 373 S N 0.725 116.490 115.700 0.108 0.000 3.919 373 S HA 0.044 4.513 4.470 -0.001 0.000 0.245 373 S C 0.695 175.359 174.600 0.106 0.000 1.344 373 S CA -0.445 57.812 58.200 0.095 0.000 0.896 373 S CB 0.076 63.321 63.200 0.077 0.000 1.557 373 S HN 0.316 nan 8.310 nan 0.000 0.468 374 Y N 3.041 123.349 120.300 0.013 0.000 2.193 374 Y HA -0.280 4.270 4.550 -0.001 0.000 0.285 374 Y C 2.144 178.045 175.900 0.001 0.000 1.166 374 Y CA 1.829 59.935 58.100 0.010 0.000 1.181 374 Y CB -0.251 38.210 38.460 0.002 0.000 0.976 374 Y HN 0.622 nan 8.280 nan 0.000 0.520 375 A N -0.094 122.775 122.820 0.081 0.000 2.119 375 A HA 0.093 4.412 4.320 -0.001 0.000 0.217 375 A C 0.811 178.351 177.584 -0.074 0.000 1.153 375 A CA 0.278 52.315 52.037 -0.001 0.000 0.692 375 A CB -0.776 18.241 19.000 0.029 0.000 0.799 375 A HN 0.331 nan 8.150 nan 0.000 0.458 376 L N 0.270 121.458 121.223 -0.058 0.000 2.326 376 L HA 0.285 4.624 4.340 -0.001 0.000 0.278 376 L C 1.318 178.160 176.870 -0.047 0.000 1.092 376 L CA -0.494 54.327 54.840 -0.032 0.000 0.810 376 L CB 1.655 43.738 42.059 0.041 0.000 1.153 376 L HN 0.191 nan 8.230 nan 0.000 0.439 377 V N -1.181 118.708 119.914 -0.041 0.000 3.523 377 V HA 0.242 4.361 4.120 -0.001 0.000 0.255 377 V C 0.609 176.672 176.094 -0.051 0.000 1.226 377 V CA 0.284 62.553 62.300 -0.051 0.000 1.092 377 V CB 0.955 32.743 31.823 -0.059 0.000 0.817 377 V HN 0.669 nan 8.190 nan 0.000 0.458 378 S N -0.841 114.832 115.700 -0.045 0.000 2.588 378 S HA 0.662 5.131 4.470 -0.001 0.000 0.275 378 S C -0.284 174.214 174.600 -0.170 0.000 1.130 378 S CA -0.676 57.445 58.200 -0.132 0.000 0.855 378 S CB 1.929 65.037 63.200 -0.154 0.000 1.116 378 S HN 0.272 nan 8.310 nan 0.000 0.472 379 L N 2.854 123.765 121.223 -0.519 0.000 2.653 379 L HA 0.190 4.530 4.340 -0.001 0.000 0.231 379 L C 1.874 177.942 176.870 -1.337 0.000 1.153 379 L CA 0.172 54.415 54.840 -0.995 0.000 0.933 379 L CB -0.153 41.153 42.059 -1.255 0.000 1.175 379 L HN 0.766 nan 8.230 nan 0.000 0.473 380 S N -0.035 115.190 115.700 -0.791 0.000 2.515 380 S HA -0.171 4.298 4.470 -0.001 0.000 0.231 380 S C 1.851 176.297 174.600 -0.256 0.000 0.987 380 S CA 0.283 58.152 58.200 -0.551 0.000 0.936 380 S CB -0.628 62.406 63.200 -0.276 0.000 0.766 380 S HN 0.559 nan 8.310 nan 0.000 0.528 381 F N 0.931 120.772 119.950 -0.181 0.000 2.192 381 F HA 0.154 4.680 4.527 -0.001 0.000 0.301 381 F C 0.987 176.755 175.800 -0.053 0.000 1.079 381 F CA -0.006 57.909 58.000 -0.142 0.000 1.303 381 F CB -1.403 37.451 39.000 -0.242 0.000 1.024 381 F HN 0.136 nan 8.300 nan 0.000 0.494 382 F N 2.272 121.958 119.950 -0.440 0.000 2.626 382 F HA 0.183 4.709 4.527 -0.001 0.000 0.374 382 F C 1.670 177.602 175.800 0.219 0.000 1.184 382 F CA -0.509 57.480 58.000 -0.020 0.000 1.339 382 F CB -0.278 38.757 39.000 0.058 0.000 1.730 382 F HN -0.076 nan 8.300 nan 0.000 0.650 383 R N 0.734 121.424 120.500 0.318 0.000 2.103 383 R HA -0.161 4.178 4.340 -0.001 0.000 0.242 383 R C 1.385 177.906 176.300 0.368 0.000 1.142 383 R CA 1.277 57.558 56.100 0.301 0.000 0.960 383 R CB -0.120 30.296 30.300 0.194 0.000 0.858 383 R HN 0.413 nan 8.270 nan 0.000 0.439 384 K N 0.571 121.151 120.400 0.300 0.000 2.399 384 K HA 0.109 4.428 4.320 -0.001 0.000 0.204 384 K C 0.015 176.716 176.600 0.168 0.000 1.023 384 K CA -0.320 56.085 56.287 0.196 0.000 1.127 384 K CB 0.235 32.813 32.500 0.130 0.000 0.856 384 K HN -0.057 nan 8.250 nan 0.000 0.514 385 L N 2.113 123.488 121.223 0.254 0.000 2.456 385 L HA 0.028 4.367 4.340 -0.001 0.000 0.277 385 L C 0.855 177.724 176.870 -0.003 0.000 1.124 385 L CA 0.535 55.431 54.840 0.092 0.000 0.880 385 L CB 0.290 42.356 42.059 0.011 0.000 1.192 385 L HN -0.017 nan 8.230 nan 0.000 0.463 386 R N 4.092 124.553 120.500 -0.064 0.000 2.344 386 R HA 0.354 4.693 4.340 -0.001 0.000 0.209 386 R C -0.932 175.311 176.300 -0.095 0.000 0.886 386 R CA -0.159 55.870 56.100 -0.117 0.000 1.040 386 R CB 0.509 30.745 30.300 -0.107 0.000 1.114 386 R HN 0.498 nan 8.270 nan 0.000 0.547 387 L N 0.850 122.030 121.223 -0.071 0.000 2.505 387 L HA 0.504 4.843 4.340 -0.001 0.000 0.266 387 L C -1.565 175.286 176.870 -0.033 0.000 0.954 387 L CA -0.454 54.358 54.840 -0.048 0.000 0.852 387 L CB 1.905 43.947 42.059 -0.029 0.000 1.282 387 L HN -0.096 nan 8.230 nan 0.000 0.403 388 I N 5.205 125.768 120.570 -0.011 0.000 2.389 388 I HA 0.456 4.625 4.170 -0.001 0.000 0.288 388 I C 0.866 177.007 176.117 0.039 0.000 0.999 388 I CA -0.442 60.873 61.300 0.026 0.000 1.129 388 I CB 1.742 39.790 38.000 0.081 0.000 1.288 388 I HN 0.648 nan 8.210 nan 0.000 0.444 389 R N 3.877 124.398 120.500 0.036 0.000 2.161 389 R HA 0.142 4.482 4.340 -0.001 0.000 0.213 389 R C 1.335 177.668 176.300 0.055 0.000 1.055 389 R CA 0.628 56.750 56.100 0.036 0.000 0.996 389 R CB 0.038 30.354 30.300 0.027 0.000 0.901 389 R HN 0.995 nan 8.270 nan 0.000 0.456 390 G N 1.905 110.752 108.800 0.078 0.000 2.221 390 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.265 390 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.265 390 G C 0.380 175.327 174.900 0.078 0.000 1.041 390 G CA 0.610 45.772 45.100 0.103 0.000 0.807 390 G HN 0.444 nan 8.290 nan 0.000 0.502 391 E N -0.722 119.514 120.200 0.060 0.000 2.268 391 E HA 0.021 4.370 4.350 -0.001 0.000 0.195 391 E C 0.942 177.576 176.600 0.057 0.000 0.995 391 E CA 1.170 57.598 56.400 0.047 0.000 0.836 391 E CB 0.147 29.867 29.700 0.034 0.000 0.763 391 E HN 0.464 nan 8.360 nan 0.000 0.491 392 T N 0.537 115.143 114.554 0.086 0.000 2.876 392 T HA 0.559 4.909 4.350 -0.001 0.000 0.289 392 T C -0.683 174.157 174.700 0.234 0.000 1.014 392 T CA -0.600 61.577 62.100 0.127 0.000 0.986 392 T CB 1.441 70.375 68.868 0.111 0.000 1.021 392 T HN -0.071 nan 8.240 nan 0.000 0.458 393 L N 1.641 122.964 121.223 0.168 0.000 2.388 393 L HA 0.623 4.963 4.340 -0.001 0.000 0.264 393 L C -0.202 176.543 176.870 -0.208 0.000 0.998 393 L CA -1.281 53.587 54.840 0.047 0.000 0.817 393 L CB 2.068 44.120 42.059 -0.012 0.000 1.338 393 L HN 0.487 nan 8.230 nan 0.000 0.414 394 E N 2.409 122.237 120.200 -0.620 0.000 2.373 394 E HA 0.226 4.575 4.350 -0.001 0.000 0.267 394 E C -0.308 176.117 176.600 -0.292 0.000 1.032 394 E CA -0.379 55.587 56.400 -0.724 0.000 0.889 394 E CB 0.747 29.890 29.700 -0.927 0.000 0.984 394 E HN 0.392 nan 8.360 nan 0.000 0.425 395 I N 1.409 121.847 120.570 -0.220 0.000 2.919 395 I HA 0.227 4.396 4.170 -0.001 0.000 0.303 395 I C 1.081 177.153 176.117 -0.076 0.000 1.221 395 I CA 0.908 62.135 61.300 -0.122 0.000 1.444 395 I CB 0.015 37.963 38.000 -0.087 0.000 1.331 395 I HN 0.684 nan 8.210 nan 0.000 0.572 396 G N 3.878 112.584 108.800 -0.158 0.000 2.157 396 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.239 396 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.239 396 G C 0.266 174.738 174.900 -0.713 0.000 0.982 396 G CA 0.012 44.902 45.100 -0.350 0.000 0.650 396 G HN 1.036 nan 8.290 nan 0.000 0.527 397 N N -1.439 117.012 118.700 -0.416 0.000 2.727 397 N HA -0.175 4.565 4.740 -0.001 0.000 0.251 397 N C -0.324 174.984 175.510 -0.337 0.000 1.040 397 N CA 1.497 54.361 53.050 -0.311 0.000 0.712 397 N CB -1.839 36.518 38.487 -0.216 0.000 0.912 397 N HN 0.762 nan 8.380 nan 0.000 0.545 398 Y N -0.835 119.464 120.300 -0.001 0.000 2.330 398 Y HA 0.345 4.894 4.550 -0.001 0.000 0.336 398 Y C 1.666 177.584 175.900 0.030 0.000 1.036 398 Y CA -0.402 57.735 58.100 0.061 0.000 1.125 398 Y CB 1.372 39.907 38.460 0.124 0.000 1.194 398 Y HN 0.166 nan 8.280 nan 0.000 0.469 399 S N 1.997 117.875 115.700 0.296 0.000 2.492 399 S HA 0.160 4.630 4.470 -0.001 0.000 0.218 399 S C -0.356 174.470 174.600 0.377 0.000 1.016 399 S CA -0.042 58.337 58.200 0.298 0.000 0.916 399 S CB 0.256 63.602 63.200 0.243 0.000 0.791 399 S HN 0.492 nan 8.310 nan 0.000 0.513 400 F N 1.177 121.277 119.950 0.249 0.000 2.539 400 F HA 0.651 5.177 4.527 -0.001 0.000 0.318 400 F C -1.491 174.410 175.800 0.169 0.000 1.135 400 F CA -1.378 56.750 58.000 0.213 0.000 0.915 400 F CB 1.680 40.802 39.000 0.203 0.000 1.176 400 F HN 0.158 nan 8.300 nan 0.000 0.440 401 Y N 4.978 124.861 120.300 -0.696 0.000 2.361 401 Y HA 0.726 5.276 4.550 -0.001 0.000 0.328 401 Y C -1.673 173.921 175.900 -0.511 0.000 1.044 401 Y CA -0.768 57.064 58.100 -0.446 0.000 1.085 401 Y CB 1.463 39.683 38.460 -0.401 0.000 1.194 401 Y HN 0.817 nan 8.280 nan 0.000 0.438 402 A N 6.763 129.363 122.820 -0.367 0.000 2.332 402 A HA 0.710 5.030 4.320 -0.001 0.000 0.300 402 A C -2.377 175.200 177.584 -0.011 0.000 1.153 402 A CA -0.561 51.347 52.037 -0.215 0.000 0.764 402 A CB 1.133 19.949 19.000 -0.307 0.000 1.174 402 A HN 0.709 nan 8.150 nan 0.000 0.467 403 L N 2.368 123.670 121.223 0.132 0.000 2.439 403 L HA 0.685 5.024 4.340 -0.001 0.000 0.270 403 L C -0.376 176.622 176.870 0.214 0.000 0.972 403 L CA 0.323 55.303 54.840 0.234 0.000 0.836 403 L CB 1.657 43.901 42.059 0.309 0.000 1.255 403 L HN 0.824 nan 8.230 nan 0.000 0.404 404 D N 2.937 123.486 120.400 0.248 0.000 2.746 404 D HA -0.210 4.429 4.640 -0.001 0.000 0.241 404 D C -1.101 175.292 176.300 0.156 0.000 1.140 404 D CA 0.742 54.860 54.000 0.198 0.000 0.707 404 D CB -0.697 40.175 40.800 0.120 0.000 1.034 404 D HN 0.684 nan 8.370 nan 0.000 0.423 405 N N 1.945 120.734 118.700 0.148 0.000 2.558 405 N HA 0.112 4.852 4.740 -0.001 0.000 0.242 405 N C 1.005 176.555 175.510 0.066 0.000 0.979 405 N CA -0.541 52.572 53.050 0.106 0.000 0.931 405 N CB 1.549 40.100 38.487 0.106 0.000 1.122 405 N HN 0.220 nan 8.380 nan 0.000 0.508 406 Q N 0.552 120.371 119.800 0.033 0.000 2.297 406 Q HA 0.065 4.404 4.340 -0.001 0.000 0.204 406 Q C 0.360 176.302 176.000 -0.097 0.000 0.962 406 Q CA 1.066 56.867 55.803 -0.005 0.000 0.879 406 Q CB 0.286 29.050 28.738 0.043 0.000 0.947 406 Q HN 0.488 nan 8.270 nan 0.000 0.462 407 N N -0.126 118.473 118.700 -0.169 0.000 2.177 407 N HA 0.055 4.794 4.740 -0.001 0.000 0.218 407 N C -0.213 175.246 175.510 -0.084 0.000 1.182 407 N CA -0.156 52.797 53.050 -0.162 0.000 0.882 407 N CB 0.858 39.178 38.487 -0.279 0.000 1.052 407 N HN 0.106 nan 8.380 nan 0.000 0.519 408 L N 1.802 123.003 121.223 -0.036 0.000 2.418 408 L HA 0.118 4.457 4.340 -0.001 0.000 0.274 408 L C 1.097 177.966 176.870 -0.001 0.000 1.135 408 L CA 0.580 55.419 54.840 -0.003 0.000 0.870 408 L CB 0.344 42.435 42.059 0.053 0.000 1.154 408 L HN -0.055 nan 8.230 nan 0.000 0.462 409 R N 2.540 123.028 120.500 -0.021 0.000 2.419 409 R HA 0.237 4.576 4.340 -0.001 0.000 0.235 409 R C -0.256 176.025 176.300 -0.032 0.000 0.899 409 R CA -0.058 56.028 56.100 -0.024 0.000 1.048 409 R CB 0.589 30.869 30.300 -0.034 0.000 1.182 409 R HN 0.705 nan 8.270 nan 0.000 0.544 410 Q N 0.303 120.070 119.800 -0.055 0.000 2.345 410 Q HA 0.296 4.635 4.340 -0.001 0.000 0.275 410 Q C -0.543 175.365 176.000 -0.153 0.000 1.063 410 Q CA -0.417 55.324 55.803 -0.102 0.000 0.819 410 Q CB 1.951 30.602 28.738 -0.144 0.000 1.356 410 Q HN -0.009 nan 8.270 nan 0.000 0.418 411 L N 1.354 122.486 121.223 -0.152 0.000 2.157 411 L HA 0.389 4.728 4.340 -0.001 0.000 0.201 411 L C 0.555 177.004 176.870 -0.701 0.000 1.221 411 L CA 0.139 54.837 54.840 -0.237 0.000 0.915 411 L CB 0.052 42.261 42.059 0.250 0.000 1.013 411 L HN 0.497 nan 8.230 nan 0.000 0.522 412 W N -0.529 120.225 121.300 -0.909 0.000 2.850 412 W HA 0.208 4.867 4.660 -0.001 0.000 0.349 412 W C -0.818 175.061 176.519 -1.066 0.000 1.133 412 W CA -0.730 55.980 57.345 -1.057 0.000 1.117 412 W CB 1.013 29.618 29.460 -1.426 0.000 1.442 412 W HN 0.069 nan 8.180 nan 0.000 0.575 413 D N 0.717 120.894 120.400 -0.371 0.000 2.383 413 D HA 0.037 4.676 4.640 -0.001 0.000 0.245 413 D C 0.478 176.726 176.300 -0.086 0.000 1.263 413 D CA -0.080 53.799 54.000 -0.200 0.000 0.936 413 D CB 0.067 40.834 40.800 -0.056 0.000 1.053 413 D HN 0.265 nan 8.370 nan 0.000 0.507 414 W N 2.163 123.533 121.300 0.116 0.000 2.961 414 W HA -0.078 4.581 4.660 -0.001 0.000 0.240 414 W C 2.401 178.959 176.519 0.064 0.000 1.305 414 W CA 0.164 57.566 57.345 0.094 0.000 1.465 414 W CB 0.055 29.552 29.460 0.060 0.000 1.135 414 W HN 0.436 nan 8.180 nan 0.000 0.688 415 S N 0.331 116.159 115.700 0.213 0.000 2.436 415 S HA -0.038 4.431 4.470 -0.001 0.000 0.228 415 S C 1.493 176.164 174.600 0.120 0.000 1.014 415 S CA 0.795 59.079 58.200 0.140 0.000 0.950 415 S CB -0.032 63.224 63.200 0.092 0.000 0.784 415 S HN 0.312 nan 8.310 nan 0.000 0.504 416 K N -0.718 119.759 120.400 0.128 0.000 2.436 416 K HA 0.259 4.578 4.320 -0.001 0.000 0.198 416 K C 0.141 176.818 176.600 0.128 0.000 1.174 416 K CA -0.003 56.349 56.287 0.107 0.000 0.951 416 K CB 0.153 32.707 32.500 0.090 0.000 1.040 416 K HN 0.434 nan 8.250 nan 0.000 0.536 417 H N 1.150 120.267 119.070 0.079 0.000 2.489 417 H HA 0.253 4.808 4.556 -0.001 0.000 0.322 417 H C -0.914 174.492 175.328 0.129 0.000 1.091 417 H CA -0.609 55.465 56.048 0.044 0.000 1.291 417 H CB 0.718 30.440 29.762 -0.067 0.000 1.436 417 H HN -0.105 nan 8.280 nan 0.000 0.480 418 N N 4.011 122.618 118.700 -0.153 0.000 2.430 418 N HA 0.288 5.027 4.740 -0.001 0.000 0.292 418 N C -1.864 173.590 175.510 -0.094 0.000 1.051 418 N CA -0.642 52.384 53.050 -0.040 0.000 0.917 418 N CB 0.972 39.409 38.487 -0.083 0.000 1.164 418 N HN 0.491 nan 8.380 nan 0.000 0.484 419 L N 2.283 123.520 121.223 0.024 0.000 2.476 419 L HA 0.550 4.889 4.340 -0.001 0.000 0.269 419 L C -1.007 175.809 176.870 -0.090 0.000 0.965 419 L CA -0.216 54.584 54.840 -0.067 0.000 0.845 419 L CB 1.870 43.868 42.059 -0.102 0.000 1.259 419 L HN 0.499 nan 8.230 nan 0.000 0.403 420 T N 6.145 120.648 114.554 -0.085 0.000 2.824 420 T HA 0.672 5.021 4.350 -0.001 0.000 0.280 420 T C -0.258 174.417 174.700 -0.042 0.000 0.995 420 T CA -0.095 61.967 62.100 -0.064 0.000 1.009 420 T CB 1.135 69.973 68.868 -0.050 0.000 0.955 420 T HN 0.451 nan 8.240 nan 0.000 0.452 421 I N 2.785 123.342 120.570 -0.023 0.000 2.466 421 I HA 0.188 4.357 4.170 -0.001 0.000 0.279 421 I C 1.266 177.397 176.117 0.024 0.000 1.033 421 I CA -0.501 60.809 61.300 0.018 0.000 1.123 421 I CB 1.670 39.699 38.000 0.048 0.000 1.237 421 I HN 0.656 nan 8.210 nan 0.000 0.460 422 T N 3.778 118.348 114.554 0.025 0.000 2.708 422 T HA -0.089 4.260 4.350 -0.001 0.000 0.266 422 T C 0.646 175.364 174.700 0.030 0.000 1.037 422 T CA 1.495 63.607 62.100 0.021 0.000 1.146 422 T CB -0.073 68.806 68.868 0.019 0.000 0.865 422 T HN 0.558 nan 8.240 nan 0.000 0.435 423 Q N -1.157 118.671 119.800 0.046 0.000 2.495 423 Q HA 0.550 4.890 4.340 -0.001 0.000 0.287 423 Q C -0.169 175.876 176.000 0.075 0.000 1.078 423 Q CA -0.746 55.087 55.803 0.050 0.000 0.793 423 Q CB 2.536 31.299 28.738 0.042 0.000 1.459 423 Q HN 0.421 nan 8.270 nan 0.000 0.422 424 G N 1.050 109.891 108.800 0.067 0.000 2.746 424 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.685 424 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.685 424 G C -1.157 173.823 174.900 0.133 0.000 1.350 424 G CA -0.794 44.356 45.100 0.084 0.000 0.837 424 G HN 0.397 nan 8.290 nan 0.000 0.564 425 K N -0.744 119.760 120.400 0.173 0.000 2.168 425 K HA 0.735 5.054 4.320 -0.001 0.000 0.239 425 K C 0.227 177.123 176.600 0.493 0.000 0.999 425 K CA -0.790 55.673 56.287 0.294 0.000 0.900 425 K CB 1.267 33.933 32.500 0.275 0.000 1.111 425 K HN 0.419 nan 8.250 nan 0.000 0.452 426 L N 1.490 123.000 121.223 0.479 0.000 2.322 426 L HA 0.488 4.827 4.340 -0.001 0.000 0.279 426 L C -0.679 176.424 176.870 0.389 0.000 1.036 426 L CA -0.786 54.342 54.840 0.478 0.000 0.807 426 L CB 0.589 42.944 42.059 0.493 0.000 1.226 426 L HN 0.517 nan 8.230 nan 0.000 0.433 427 F N 3.029 122.907 119.950 -0.121 0.000 2.518 427 F HA 0.589 5.115 4.527 -0.001 0.000 0.323 427 F C -1.415 174.130 175.800 -0.425 0.000 1.129 427 F CA -0.485 57.238 58.000 -0.462 0.000 0.920 427 F CB 1.248 39.499 39.000 -1.250 0.000 1.160 427 F HN 0.148 nan 8.300 nan 0.000 0.440 428 F N 5.787 125.404 119.950 -0.555 0.000 2.612 428 F HA 0.436 4.962 4.527 -0.001 0.000 0.332 428 F C -0.619 174.733 175.800 -0.746 0.000 1.167 428 F CA -0.505 57.251 58.000 -0.407 0.000 0.970 428 F CB 1.174 40.033 39.000 -0.235 0.000 1.234 428 F HN 0.439 nan 8.300 nan 0.000 0.453 429 H N 3.044 121.857 119.070 -0.428 0.000 2.865 429 H HA 0.235 4.791 4.556 -0.001 0.000 0.362 429 H C -0.894 174.405 175.328 -0.049 0.000 1.114 429 H CA -1.099 54.734 56.048 -0.359 0.000 1.208 429 H CB 1.916 31.421 29.762 -0.428 0.000 1.727 429 H HN 0.667 nan 8.280 nan 0.000 0.534 430 Y N 0.412 120.739 120.300 0.046 0.000 3.234 430 Y HA -0.252 4.297 4.550 -0.001 0.000 0.207 430 Y C -0.189 175.749 175.900 0.064 0.000 1.316 430 Y CA 0.037 58.172 58.100 0.060 0.000 1.309 430 Y CB -1.598 36.913 38.460 0.084 0.000 1.408 430 Y HN 0.535 nan 8.280 nan 0.000 0.544 431 N N 1.675 120.448 118.700 0.123 0.000 3.044 431 N HA 0.152 4.891 4.740 -0.001 0.000 0.254 431 N C -1.953 173.593 175.510 0.060 0.000 1.253 431 N CA -1.191 51.930 53.050 0.117 0.000 0.944 431 N CB 1.140 39.725 38.487 0.164 0.000 1.217 431 N HN 0.213 nan 8.380 nan 0.000 0.498 432 P HA -0.077 nan 4.420 nan 0.000 0.223 432 P C 0.747 178.054 177.300 0.011 0.000 1.151 432 P CA 1.041 64.163 63.100 0.036 0.000 0.787 432 P CB 0.525 32.261 31.700 0.059 0.000 0.788 433 K N -0.784 119.622 120.400 0.009 0.000 2.387 433 K HA 0.174 4.493 4.320 -0.001 0.000 0.198 433 K C 0.454 177.049 176.600 -0.008 0.000 1.022 433 K CA -0.448 55.835 56.287 -0.006 0.000 1.128 433 K CB 0.031 32.520 32.500 -0.017 0.000 0.853 433 K HN 0.172 nan 8.250 nan 0.000 0.523 434 L N 1.510 122.731 121.223 -0.003 0.000 2.276 434 L HA 0.249 4.589 4.340 -0.001 0.000 0.286 434 L C -0.577 176.259 176.870 -0.057 0.000 1.024 434 L CA -0.482 54.351 54.840 -0.011 0.000 0.826 434 L CB 0.592 42.671 42.059 0.034 0.000 1.211 434 L HN 0.025 nan 8.230 nan 0.000 0.422 435 c N 5.013 123.578 118.600 -0.058 0.000 2.662 435 c HA 0.079 4.648 4.570 -0.001 0.000 0.420 435 c C 2.221 176.222 174.090 -0.149 0.000 1.314 435 c CA -0.406 55.876 56.329 -0.078 0.000 1.963 435 c CB -0.000 42.484 42.510 -0.043 0.000 2.686 435 c HN 0.931 nan 8.230 nan 0.000 0.609 436 L N 2.906 124.018 121.223 -0.184 0.000 2.127 436 L HA -0.184 4.155 4.340 -0.001 0.000 0.211 436 L C 2.638 179.296 176.870 -0.352 0.000 1.089 436 L CA 1.906 56.541 54.840 -0.342 0.000 0.757 436 L CB -0.381 41.527 42.059 -0.251 0.000 0.899 436 L HN 0.970 nan 8.230 nan 0.000 0.434 437 S N -1.105 114.532 115.700 -0.105 0.000 2.399 437 S HA -0.167 4.302 4.470 -0.001 0.000 0.231 437 S C 1.772 176.359 174.600 -0.023 0.000 1.022 437 S CA 0.873 59.071 58.200 -0.003 0.000 0.983 437 S CB -0.272 62.946 63.200 0.029 0.000 0.803 437 S HN 0.397 nan 8.310 nan 0.000 0.480 438 E N 1.518 121.697 120.200 -0.034 0.000 2.106 438 E HA 0.047 4.396 4.350 -0.001 0.000 0.192 438 E C 2.074 178.658 176.600 -0.026 0.000 0.984 438 E CA 0.844 57.290 56.400 0.076 0.000 0.806 438 E CB -0.448 29.306 29.700 0.089 0.000 0.750 438 E HN 0.628 nan 8.360 nan 0.000 0.458 439 I N 0.909 121.291 120.570 -0.313 0.000 2.202 439 I HA -0.250 3.920 4.170 -0.001 0.000 0.242 439 I C 2.389 178.270 176.117 -0.393 0.000 1.091 439 I CA 1.014 61.971 61.300 -0.572 0.000 1.368 439 I CB -0.341 37.051 38.000 -1.013 0.000 1.058 439 I HN 0.112 nan 8.210 nan 0.000 0.410 440 H N 1.287 120.224 119.070 -0.223 0.000 2.353 440 H HA -0.113 4.442 4.556 -0.001 0.000 0.300 440 H C 2.203 177.400 175.328 -0.219 0.000 1.090 440 H CA 1.176 57.114 56.048 -0.185 0.000 1.327 440 H CB -0.356 29.326 29.762 -0.134 0.000 1.383 440 H HN 0.288 nan 8.280 nan 0.000 0.508 441 K N 0.222 120.554 120.400 -0.113 0.000 2.063 441 K HA -0.169 4.150 4.320 -0.001 0.000 0.208 441 K C 2.351 178.535 176.600 -0.693 0.000 1.048 441 K CA 1.375 57.490 56.287 -0.287 0.000 0.928 441 K CB -0.138 32.266 32.500 -0.159 0.000 0.713 441 K HN 0.154 nan 8.250 nan 0.000 0.442 442 M N 1.258 120.387 119.600 -0.785 0.000 2.080 442 M HA -0.257 4.223 4.480 -0.001 0.000 0.260 442 M C 1.666 177.644 176.300 -0.537 0.000 1.068 442 M CA 1.791 56.522 55.300 -0.949 0.000 1.109 442 M CB -0.048 32.338 32.600 -0.356 0.000 1.342 442 M HN 0.125 nan 8.290 nan 0.000 0.405 443 E N -0.291 119.741 120.200 -0.281 0.000 2.085 443 E HA -0.282 4.067 4.350 -0.001 0.000 0.194 443 E C 1.851 178.345 176.600 -0.178 0.000 0.994 443 E CA 1.631 57.941 56.400 -0.150 0.000 0.801 443 E CB -0.306 29.368 29.700 -0.043 0.000 0.743 443 E HN 0.531 nan 8.360 nan 0.000 0.453 444 E N 1.128 121.203 120.200 -0.209 0.000 2.007 444 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 444 E C 2.150 178.624 176.600 -0.210 0.000 0.999 444 E CA 1.210 57.504 56.400 -0.178 0.000 0.811 444 E CB -0.320 29.285 29.700 -0.159 0.000 0.762 444 E HN 0.049 nan 8.360 nan 0.000 0.450 445 V N 0.886 120.603 119.914 -0.327 0.000 2.324 445 V HA -0.296 3.823 4.120 -0.001 0.000 0.250 445 V C 2.377 178.325 176.094 -0.242 0.000 1.060 445 V CA 2.279 64.396 62.300 -0.306 0.000 1.042 445 V CB -0.868 30.662 31.823 -0.488 0.000 0.650 445 V HN 0.487 nan 8.190 nan 0.000 0.450 446 S N -0.582 114.952 115.700 -0.276 0.000 2.528 446 S HA 0.274 4.743 4.470 -0.001 0.000 0.219 446 S C 1.593 176.133 174.600 -0.101 0.000 0.985 446 S CA 0.681 58.774 58.200 -0.179 0.000 0.914 446 S CB 0.565 63.654 63.200 -0.184 0.000 0.776 446 S HN 1.298 nan 8.310 nan 0.000 0.526 447 G N 1.358 110.100 108.800 -0.098 0.000 2.137 447 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.237 447 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.237 447 G C 0.570 175.451 174.900 -0.032 0.000 1.002 447 G CA 0.607 45.672 45.100 -0.058 0.000 0.702 447 G HN 1.044 nan 8.290 nan 0.000 0.515 448 T N -2.473 112.062 114.554 -0.031 0.000 3.069 448 T HA 0.377 4.726 4.350 -0.001 0.000 0.252 448 T C 0.937 175.646 174.700 0.015 0.000 1.053 448 T CA 0.442 62.549 62.100 0.012 0.000 0.964 448 T CB 0.523 69.421 68.868 0.049 0.000 1.005 448 T HN 0.451 nan 8.240 nan 0.000 0.532 449 K N 1.432 121.823 120.400 -0.015 0.000 2.511 449 K HA 0.226 4.546 4.320 -0.001 0.000 0.277 449 K C 1.405 178.005 176.600 -0.001 0.000 1.025 449 K CA 1.343 57.621 56.287 -0.014 0.000 1.112 449 K CB -0.330 32.147 32.500 -0.038 0.000 0.859 449 K HN 0.533 nan 8.250 nan 0.000 0.485 450 G N 3.486 112.291 108.800 0.009 0.000 2.217 450 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.246 450 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.246 450 G C 0.861 175.778 174.900 0.028 0.000 0.990 450 G CA 0.266 45.372 45.100 0.011 0.000 0.627 450 G HN 0.704 nan 8.290 nan 0.000 0.522 451 R N -0.147 120.380 120.500 0.045 0.000 2.161 451 R HA 0.121 4.460 4.340 -0.001 0.000 0.213 451 R C 0.654 177.004 176.300 0.084 0.000 1.055 451 R CA 0.653 56.789 56.100 0.060 0.000 0.996 451 R CB -0.018 30.325 30.300 0.072 0.000 0.901 451 R HN 0.424 nan 8.270 nan 0.000 0.456 452 Q N 1.217 121.078 119.800 0.101 0.000 2.314 452 Q HA 0.101 4.440 4.340 -0.001 0.000 0.258 452 Q C -0.342 175.722 176.000 0.107 0.000 0.954 452 Q CA 0.587 56.473 55.803 0.138 0.000 0.890 452 Q CB 1.040 29.867 28.738 0.149 0.000 1.210 452 Q HN 0.128 nan 8.270 nan 0.000 0.410 453 E N 1.029 121.305 120.200 0.127 0.000 2.504 453 E HA 0.274 4.624 4.350 -0.001 0.000 0.253 453 E C 0.639 177.300 176.600 0.102 0.000 1.151 453 E CA -0.832 55.626 56.400 0.098 0.000 0.972 453 E CB 0.876 30.632 29.700 0.093 0.000 1.247 453 E HN 0.485 nan 8.360 nan 0.000 0.519 454 R N 0.553 121.102 120.500 0.082 0.000 2.113 454 R HA -0.144 4.195 4.340 -0.001 0.000 0.231 454 R C 0.926 177.268 176.300 0.071 0.000 1.129 454 R CA 1.841 57.980 56.100 0.064 0.000 0.915 454 R CB -0.108 30.224 30.300 0.053 0.000 0.837 454 R HN 0.396 nan 8.270 nan 0.000 0.430 455 N N 0.827 119.588 118.700 0.102 0.000 2.295 455 N HA -0.014 4.725 4.740 -0.001 0.000 0.221 455 N C -0.083 175.539 175.510 0.188 0.000 1.129 455 N CA 0.194 53.316 53.050 0.119 0.000 0.836 455 N CB 0.564 39.127 38.487 0.127 0.000 1.040 455 N HN 0.264 nan 8.380 nan 0.000 0.494 456 D N 0.798 121.300 120.400 0.171 0.000 2.097 456 D HA 0.046 4.685 4.640 -0.001 0.000 0.197 456 D C 0.589 176.861 176.300 -0.047 0.000 0.984 456 D CA 0.933 55.052 54.000 0.197 0.000 0.826 456 D CB 0.591 41.572 40.800 0.302 0.000 0.973 456 D HN 0.270 nan 8.370 nan 0.000 0.460 457 I N 1.129 121.645 120.570 -0.091 0.000 2.328 457 I HA 0.288 4.457 4.170 -0.001 0.000 0.287 457 I C -0.108 175.783 176.117 -0.377 0.000 1.012 457 I CA -0.779 60.382 61.300 -0.232 0.000 1.195 457 I CB 1.668 39.617 38.000 -0.086 0.000 1.350 457 I HN -0.156 nan 8.210 nan 0.000 0.464 458 A N 6.790 129.174 122.820 -0.726 0.000 2.450 458 A HA 0.345 4.664 4.320 -0.001 0.000 0.255 458 A C 0.971 178.363 177.584 -0.321 0.000 1.096 458 A CA -0.115 51.583 52.037 -0.565 0.000 0.778 458 A CB 0.346 18.886 19.000 -0.766 0.000 1.031 458 A HN 0.890 nan 8.150 nan 0.000 0.494 459 L N 1.580 122.682 121.223 -0.201 0.000 2.209 459 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 459 L C 2.239 179.028 176.870 -0.135 0.000 1.094 459 L CA 1.200 55.959 54.840 -0.135 0.000 0.790 459 L CB -0.219 41.795 42.059 -0.076 0.000 0.932 459 L HN 0.776 nan 8.230 nan 0.000 0.447 460 K N -0.703 119.608 120.400 -0.148 0.000 2.314 460 K HA -0.000 4.319 4.320 -0.001 0.000 0.198 460 K C 1.475 177.980 176.600 -0.157 0.000 1.045 460 K CA 1.351 57.564 56.287 -0.123 0.000 0.988 460 K CB 0.195 32.643 32.500 -0.087 0.000 0.783 460 K HN 0.335 nan 8.250 nan 0.000 0.484 461 T N -2.090 112.311 114.554 -0.255 0.000 3.084 461 T HA 0.196 4.545 4.350 -0.001 0.000 0.270 461 T C 0.066 174.636 174.700 -0.217 0.000 1.008 461 T CA -0.643 61.274 62.100 -0.305 0.000 0.900 461 T CB 0.052 68.491 68.868 -0.714 0.000 1.084 461 T HN -0.146 nan 8.240 nan 0.000 0.538 462 N N 1.459 120.047 118.700 -0.188 0.000 2.446 462 N HA 0.487 5.226 4.740 -0.001 0.000 0.265 462 N C 0.960 176.408 175.510 -0.102 0.000 0.975 462 N CA 0.361 53.331 53.050 -0.132 0.000 0.928 462 N CB 1.494 39.868 38.487 -0.187 0.000 1.160 462 N HN 0.481 nan 8.380 nan 0.000 0.495 463 G N 2.153 110.917 108.800 -0.060 0.000 2.179 463 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.260 463 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.260 463 G C 0.781 175.660 174.900 -0.034 0.000 0.977 463 G CA 0.572 45.644 45.100 -0.047 0.000 0.641 463 G HN 0.703 nan 8.290 nan 0.000 0.533 464 D N 0.445 120.825 120.400 -0.033 0.000 2.263 464 D HA -0.072 4.567 4.640 -0.001 0.000 0.208 464 D C 1.581 177.879 176.300 -0.004 0.000 0.971 464 D CA 1.211 55.200 54.000 -0.020 0.000 0.867 464 D CB -0.204 40.586 40.800 -0.018 0.000 0.929 464 D HN 0.503 nan 8.370 nan 0.000 0.492 465 K N -0.013 120.388 120.400 0.002 0.000 2.440 465 K HA 0.451 4.770 4.320 -0.001 0.000 0.206 465 K C 0.169 176.768 176.600 -0.001 0.000 1.025 465 K CA -0.286 56.005 56.287 0.006 0.000 1.135 465 K CB 1.294 33.804 32.500 0.017 0.000 0.856 465 K HN 0.128 nan 8.250 nan 0.000 0.502 466 A N 0.860 123.675 122.820 -0.008 0.000 2.387 466 A HA 0.604 4.923 4.320 -0.001 0.000 0.303 466 A C -0.468 177.110 177.584 -0.011 0.000 1.145 466 A CA -0.740 51.291 52.037 -0.010 0.000 0.801 466 A CB 1.108 20.099 19.000 -0.015 0.000 1.342 466 A HN 0.124 nan 8.150 nan 0.000 0.440 467 S N -0.682 115.013 115.700 -0.009 0.000 2.462 467 S HA 0.564 5.033 4.470 -0.001 0.000 0.294 467 S C 0.072 174.666 174.600 -0.010 0.000 1.144 467 S CA -0.582 57.612 58.200 -0.009 0.000 1.088 467 S CB 0.847 64.043 63.200 -0.006 0.000 1.009 467 S HN 0.716 nan 8.310 nan 0.000 0.484 468 c N 1.736 120.330 118.600 -0.010 0.000 3.201 468 c HA 0.887 5.456 4.570 -0.001 0.000 0.124 468 c C 0.829 174.916 174.090 -0.005 0.000 2.588 468 c CA 0.600 56.923 56.329 -0.010 0.000 0.963 468 c CB -0.392 42.108 42.510 -0.017 0.000 1.575 468 c HN 1.063 nan 8.230 nan 0.000 0.648 469 E N -0.140 120.058 120.200 -0.004 0.000 2.381 469 E HA 0.644 4.994 4.350 -0.001 0.000 0.286 469 E C -0.871 175.727 176.600 -0.002 0.000 0.960 469 E CA 0.523 56.922 56.400 -0.001 0.000 0.793 469 E CB 0.344 30.046 29.700 0.004 0.000 1.225 469 E HN 1.288 nan 8.360 nan 0.000 0.420 470 N N 0.000 118.698 118.700 -0.003 0.000 1.763 470 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 470 N CA 0.000 nan 53.050 nan 0.000 0.885 470 N CB 0.000 nan 38.487 nan 0.000 1.341 470 N HN 0.000 nan 8.380 nan 0.000 0.667