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 3n2z_1_B DATA FIRST_RESID 46 DATA SEQUENCE KNYSVLYFQQ KVDHFGFNTV KTFNQRYLVA DKYWKKNGGS ILFYTGNEGD DATA SEQUENCE IIWFCNNTGF MWDVAEELKA MLVFAEHRYY GESLPFGDNS FKDSRHLNFL DATA SEQUENCE TSEQALADFA ELIKHLKRTI PGAENQPVIA IGGSYGGMLA AWFRMKYPHM DATA SEQUENCE VVGALAASAP IWQFEDLVPc GVFMKIVTTD FRKSGPHcSE SIHRSWDAIN DATA SEQUENCE RLSNTGSGLQ WLTGALHLcS PLTSQDIQHL KDWISETWVN LAMVDYPYAS DATA SEQUENCE NFLQPLPAWP IKVVcQYLKN PNVSDSLLLQ NIFQALNVYY NYSGQVKcLN DATA SEQUENCE ISEXXXXSLG TLGWSYQAcT EVVMPFcTNG VDDMFEPHSW NLKELSDDcF DATA SEQUENCE QQWGVRPRPS WITTMYGGKN ISSHTNIVFS NGELDPWSGG GVTKDITDTL DATA SEQUENCE VAVTISEGAH HLDLRTKNAL DPMSVLLARS LEVRHMKNWI RDFYDS 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 46 K HA 0.000 nan 4.320 nan 0.000 0.191 46 K C 0.000 176.457 176.600 -0.238 0.000 0.988 46 K CA 0.000 56.115 56.287 -0.286 0.000 0.838 46 K CB 0.000 32.502 32.500 0.004 0.000 1.064 47 N N -0.129 118.570 118.700 -0.001 0.000 2.292 47 N HA 0.592 5.332 4.740 -0.001 0.000 0.303 47 N C -1.299 174.348 175.510 0.228 0.000 1.140 47 N CA -0.659 52.374 53.050 -0.029 0.000 0.788 47 N CB 1.460 39.856 38.487 -0.151 0.000 1.361 47 N HN 0.398 nan 8.380 nan 0.000 0.489 48 Y N -1.724 118.691 120.300 0.192 0.000 2.669 48 Y HA 0.745 5.295 4.550 -0.001 0.000 0.335 48 Y C -1.216 174.732 175.900 0.079 0.000 1.116 48 Y CA -1.377 56.834 58.100 0.185 0.000 1.081 48 Y CB 1.076 39.684 38.460 0.247 0.000 1.297 48 Y HN 0.445 nan 8.280 nan 0.000 0.484 49 S N 0.857 116.716 115.700 0.265 0.000 2.454 49 S HA 0.576 5.045 4.470 -0.001 0.000 0.306 49 S C -1.027 173.651 174.600 0.131 0.000 1.100 49 S CA -0.842 57.433 58.200 0.125 0.000 1.087 49 S CB 1.535 64.770 63.200 0.058 0.000 1.019 49 S HN 0.537 nan 8.310 nan 0.000 0.480 50 V N 4.934 124.894 119.914 0.077 0.000 2.408 50 V HA 0.397 4.517 4.120 -0.001 0.000 0.267 50 V C -0.207 175.744 176.094 -0.237 0.000 1.047 50 V CA -0.192 62.077 62.300 -0.052 0.000 0.937 50 V CB 0.051 31.894 31.823 0.033 0.000 0.999 50 V HN 0.697 nan 8.190 nan 0.000 0.472 51 L N 5.168 126.052 121.223 -0.566 0.000 2.333 51 L HA 0.689 5.028 4.340 -0.001 0.000 0.263 51 L C -1.248 175.114 176.870 -0.847 0.000 1.014 51 L CA -0.778 53.659 54.840 -0.671 0.000 0.820 51 L CB 2.280 43.795 42.059 -0.907 0.000 1.352 51 L HN 0.458 nan 8.230 nan 0.000 0.421 52 Y N 0.569 120.824 120.300 -0.076 0.000 2.462 52 Y HA 0.585 5.135 4.550 -0.001 0.000 0.346 52 Y C -0.901 175.204 175.900 0.342 0.000 0.976 52 Y CA -0.585 57.605 58.100 0.150 0.000 1.044 52 Y CB 2.318 40.820 38.460 0.070 0.000 1.230 52 Y HN 0.298 nan 8.280 nan 0.000 0.455 53 F N 2.644 122.754 119.950 0.267 0.000 2.557 53 F HA 0.422 4.949 4.527 -0.001 0.000 0.316 53 F C -0.654 175.055 175.800 -0.151 0.000 1.141 53 F CA -1.034 56.960 58.000 -0.010 0.000 0.922 53 F CB 1.643 40.544 39.000 -0.165 0.000 1.194 53 F HN 0.536 nan 8.300 nan 0.000 0.443 54 Q N 5.090 124.375 119.800 -0.859 0.000 2.271 54 Q HA 0.254 4.594 4.340 -0.001 0.000 0.273 54 Q C -1.090 174.223 176.000 -1.145 0.000 1.051 54 Q CA 0.229 55.550 55.803 -0.804 0.000 0.901 54 Q CB 0.582 29.018 28.738 -0.503 0.000 1.174 54 Q HN 0.608 nan 8.270 nan 0.000 0.385 55 Q N 3.034 122.311 119.800 -0.872 0.000 2.394 55 Q HA 0.357 4.696 4.340 -0.001 0.000 0.273 55 Q C -0.943 174.795 176.000 -0.435 0.000 1.089 55 Q CA -0.885 54.518 55.803 -0.667 0.000 0.812 55 Q CB 1.935 30.238 28.738 -0.725 0.000 1.353 55 Q HN 0.592 nan 8.270 nan 0.000 0.438 56 K N 1.123 121.312 120.400 -0.352 0.000 2.326 56 K HA 0.099 4.419 4.320 -0.001 0.000 0.275 56 K C 0.954 177.323 176.600 -0.384 0.000 1.018 56 K CA -0.098 55.953 56.287 -0.393 0.000 0.962 56 K CB 1.044 33.241 32.500 -0.505 0.000 0.953 56 K HN 0.319 nan 8.250 nan 0.000 0.475 57 V N 0.830 120.534 119.914 -0.350 0.000 2.379 57 V HA -0.164 3.955 4.120 -0.001 0.000 0.245 57 V C 0.642 176.367 176.094 -0.614 0.000 1.044 57 V CA 1.569 63.593 62.300 -0.460 0.000 1.036 57 V CB -0.252 31.164 31.823 -0.678 0.000 0.664 57 V HN 0.765 nan 8.190 nan 0.000 0.453 58 D N -1.863 118.142 120.400 -0.658 0.000 2.425 58 D HA 0.219 4.859 4.640 -0.001 0.000 0.240 58 D C 0.697 176.705 176.300 -0.486 0.000 1.080 58 D CA -0.308 53.411 54.000 -0.468 0.000 0.836 58 D CB 0.865 41.423 40.800 -0.404 0.000 1.125 58 D HN 0.241 nan 8.370 nan 0.000 0.525 59 H N 3.152 122.039 119.070 -0.304 0.000 2.547 59 H HA 0.054 4.610 4.556 -0.001 0.000 0.272 59 H C 0.680 175.545 175.328 -0.771 0.000 0.971 59 H CA 0.450 56.139 56.048 -0.598 0.000 1.245 59 H CB 0.598 29.905 29.762 -0.759 0.000 1.440 59 H HN 0.408 nan 8.280 nan 0.000 0.540 60 F N 0.628 120.623 119.950 0.074 0.000 2.693 60 F HA 0.373 4.900 4.527 -0.000 0.000 0.303 60 F C 1.339 177.159 175.800 0.034 0.000 1.097 60 F CA -0.010 58.036 58.000 0.077 0.000 1.330 60 F CB 0.883 39.965 39.000 0.136 0.000 1.067 60 F HN -0.026 nan 8.300 nan 0.000 0.565 61 G N -1.493 107.287 108.800 -0.033 0.000 2.718 61 G HA2 0.427 4.387 3.960 -0.001 0.000 0.295 61 G HA3 0.427 4.387 3.960 -0.001 0.000 0.295 61 G C -0.718 174.021 174.900 -0.268 0.000 1.421 61 G CA -0.441 44.656 45.100 -0.006 0.000 0.902 61 G HN 0.014 nan 8.290 nan 0.000 0.501 62 F N 0.041 120.013 119.950 0.036 0.000 2.714 62 F HA 0.190 4.717 4.527 -0.000 0.000 0.294 62 F C 2.305 178.107 175.800 0.005 0.000 1.120 62 F CA 0.029 58.035 58.000 0.009 0.000 1.398 62 F CB 0.415 39.423 39.000 0.013 0.000 1.120 62 F HN 0.537 nan 8.300 nan 0.000 0.589 63 N N -0.073 118.709 118.700 0.137 0.000 2.120 63 N HA -0.111 4.629 4.740 -0.001 0.000 0.188 63 N C 0.202 175.736 175.510 0.039 0.000 1.024 63 N CA 1.062 54.166 53.050 0.089 0.000 0.852 63 N CB 0.113 38.654 38.487 0.090 0.000 1.003 63 N HN 0.073 nan 8.380 nan 0.000 0.424 64 T N 0.492 115.042 114.554 -0.008 0.000 2.845 64 T HA 0.267 4.617 4.350 -0.001 0.000 0.288 64 T C 0.938 175.570 174.700 -0.113 0.000 0.980 64 T CA -0.559 61.503 62.100 -0.063 0.000 1.071 64 T CB 2.086 70.878 68.868 -0.127 0.000 0.941 64 T HN 0.123 nan 8.240 nan 0.000 0.487 65 V N -0.142 119.718 119.914 -0.089 0.000 3.432 65 V HA 0.381 4.501 4.120 -0.001 0.000 0.298 65 V C 0.428 176.455 176.094 -0.113 0.000 1.464 65 V CA -0.526 61.715 62.300 -0.097 0.000 1.046 65 V CB -0.682 31.116 31.823 -0.042 0.000 0.887 65 V HN 0.612 nan 8.190 nan 0.000 0.441 66 K N 2.813 123.143 120.400 -0.117 0.000 2.436 66 K HA 0.400 4.720 4.320 -0.001 0.000 0.275 66 K C 0.736 177.243 176.600 -0.154 0.000 0.999 66 K CA 0.907 57.132 56.287 -0.103 0.000 0.980 66 K CB 0.694 33.164 32.500 -0.051 0.000 0.919 66 K HN 0.680 nan 8.250 nan 0.000 0.484 67 T N -0.657 113.829 114.554 -0.114 0.000 2.905 67 T HA 0.763 5.112 4.350 -0.001 0.000 0.283 67 T C -0.552 174.146 174.700 -0.004 0.000 1.031 67 T CA -0.943 61.089 62.100 -0.113 0.000 1.002 67 T CB 0.773 69.535 68.868 -0.176 0.000 1.200 67 T HN 0.583 nan 8.240 nan 0.000 0.560 68 F N -1.556 118.244 119.950 -0.251 0.000 2.719 68 F HA 0.573 5.100 4.527 -0.000 0.000 0.309 68 F C -1.747 173.963 175.800 -0.150 0.000 1.138 68 F CA -1.300 56.576 58.000 -0.207 0.000 0.943 68 F CB 1.161 39.999 39.000 -0.270 0.000 1.304 68 F HN 0.517 nan 8.300 nan 0.000 0.445 69 N N 3.018 121.627 118.700 -0.152 0.000 2.426 69 N HA 0.130 4.870 4.740 -0.001 0.000 0.257 69 N C -1.382 174.128 175.510 -0.001 0.000 1.002 69 N CA -0.424 52.542 53.050 -0.140 0.000 0.942 69 N CB 1.952 40.453 38.487 0.023 0.000 1.112 69 N HN 0.767 nan 8.380 nan 0.000 0.499 70 Q N 2.435 122.162 119.800 -0.123 0.000 2.256 70 Q HA 0.178 4.518 4.340 -0.001 0.000 0.254 70 Q C -0.411 175.767 176.000 0.296 0.000 0.916 70 Q CA -0.568 55.301 55.803 0.111 0.000 0.932 70 Q CB 1.346 30.103 28.738 0.031 0.000 1.207 70 Q HN 0.430 nan 8.270 nan 0.000 0.426 71 R N 3.212 123.878 120.500 0.276 0.000 2.410 71 R HA 0.306 4.646 4.340 -0.001 0.000 0.288 71 R C -1.373 175.028 176.300 0.167 0.000 1.051 71 R CA -0.101 56.014 56.100 0.024 0.000 1.021 71 R CB 0.584 30.877 30.300 -0.011 0.000 1.032 71 R HN 0.688 nan 8.270 nan 0.000 0.481 72 Y N 1.200 121.429 120.300 -0.118 0.000 2.581 72 Y HA 0.531 5.080 4.550 -0.001 0.000 0.337 72 Y C -1.965 173.904 175.900 -0.052 0.000 1.108 72 Y CA -1.384 56.692 58.100 -0.039 0.000 1.033 72 Y CB 1.296 39.759 38.460 0.004 0.000 1.318 72 Y HN 0.282 nan 8.280 nan 0.000 0.459 73 L N 3.236 124.492 121.223 0.055 0.000 2.362 73 L HA 0.869 5.208 4.340 -0.001 0.000 0.271 73 L C -1.124 175.815 176.870 0.115 0.000 1.002 73 L CA -1.456 53.389 54.840 0.008 0.000 0.818 73 L CB 2.078 44.079 42.059 -0.095 0.000 1.298 73 L HN 0.573 nan 8.230 nan 0.000 0.420 74 V N 1.435 121.411 119.914 0.103 0.000 2.531 74 V HA 0.711 4.831 4.120 -0.001 0.000 0.301 74 V C -0.106 176.067 176.094 0.131 0.000 1.034 74 V CA -0.521 61.831 62.300 0.087 0.000 0.865 74 V CB 1.695 33.551 31.823 0.055 0.000 0.995 74 V HN 0.861 nan 8.190 nan 0.000 0.424 75 A N 2.791 125.651 122.820 0.067 0.000 2.285 75 A HA 0.706 5.026 4.320 -0.001 0.000 0.310 75 A C 0.229 177.846 177.584 0.056 0.000 1.266 75 A CA -0.475 51.627 52.037 0.109 0.000 0.832 75 A CB 0.606 19.587 19.000 -0.032 0.000 1.163 75 A HN 0.944 nan 8.150 nan 0.000 0.499 76 D N 1.985 122.453 120.400 0.114 0.000 2.417 76 D HA 0.028 4.668 4.640 -0.001 0.000 0.207 76 D C 0.655 177.087 176.300 0.220 0.000 1.075 76 D CA 0.034 54.135 54.000 0.169 0.000 0.851 76 D CB 0.028 40.941 40.800 0.188 0.000 0.976 76 D HN 0.477 nan 8.370 nan 0.000 0.505 77 K N -0.080 120.396 120.400 0.127 0.000 2.436 77 K HA -0.019 4.300 4.320 -0.001 0.000 0.275 77 K C -0.416 176.210 176.600 0.044 0.000 0.999 77 K CA -0.017 56.250 56.287 -0.035 0.000 0.980 77 K CB 0.182 32.579 32.500 -0.172 0.000 0.919 77 K HN 0.094 nan 8.250 nan 0.000 0.484 78 Y N -0.775 119.602 120.300 0.130 0.000 4.526 78 Y HA -0.261 4.289 4.550 -0.001 0.000 0.313 78 Y C -0.397 175.594 175.900 0.151 0.000 1.064 78 Y CA 1.270 59.435 58.100 0.108 0.000 1.702 78 Y CB -2.059 36.456 38.460 0.090 0.000 0.917 78 Y HN 0.776 nan 8.280 nan 0.000 0.414 79 W N 5.527 126.897 121.300 0.116 0.000 2.303 79 W HA 0.480 5.140 4.660 -0.000 0.000 0.318 79 W C -0.084 176.467 176.519 0.052 0.000 1.362 79 W CA -0.752 56.635 57.345 0.070 0.000 1.234 79 W CB 0.486 29.973 29.460 0.045 0.000 1.248 79 W HN -0.147 nan 8.180 nan 0.000 0.546 80 K N 6.582 126.716 120.400 -0.442 0.000 2.316 80 K HA 0.062 4.381 4.320 -0.001 0.000 0.267 80 K C 1.021 177.063 176.600 -0.931 0.000 1.025 80 K CA -0.572 55.384 56.287 -0.553 0.000 0.896 80 K CB 1.716 34.080 32.500 -0.226 0.000 1.124 80 K HN 0.572 nan 8.250 nan 0.000 0.451 81 K N 1.818 121.563 120.400 -1.091 0.000 2.211 81 K HA -0.126 4.194 4.320 -0.001 0.000 0.204 81 K C 0.247 176.623 176.600 -0.373 0.000 1.047 81 K CA 1.214 56.979 56.287 -0.871 0.000 0.935 81 K CB 0.183 32.329 32.500 -0.590 0.000 0.728 81 K HN 0.462 nan 8.250 nan 0.000 0.452 82 N N 0.847 119.358 118.700 -0.316 0.000 3.178 82 N HA 0.083 4.823 4.740 -0.001 0.000 0.300 82 N C 0.096 175.493 175.510 -0.188 0.000 1.242 82 N CA 0.722 53.650 53.050 -0.203 0.000 1.192 82 N CB 0.228 38.610 38.487 -0.173 0.000 1.463 82 N HN 0.278 nan 8.380 nan 0.000 0.539 83 G N -0.898 107.796 108.800 -0.176 0.000 2.225 83 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.264 83 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.264 83 G C 0.518 175.416 174.900 -0.003 0.000 1.060 83 G CA 0.031 44.966 45.100 -0.275 0.000 0.833 83 G HN 0.757 nan 8.290 nan 0.000 0.498 84 G N -0.515 108.367 108.800 0.137 0.000 2.829 84 G HA2 0.924 4.884 3.960 -0.001 0.000 0.173 84 G HA3 0.924 4.884 3.960 -0.001 0.000 0.173 84 G C 0.436 175.567 174.900 0.384 0.000 1.476 84 G CA 0.797 46.034 45.100 0.229 0.000 1.072 84 G HN 1.943 nan 8.290 nan 0.000 0.577 85 S N -2.105 113.821 115.700 0.377 0.000 2.615 85 S HA 0.635 5.105 4.470 -0.001 0.000 0.269 85 S C -1.358 173.314 174.600 0.120 0.000 1.161 85 S CA -0.799 57.521 58.200 0.201 0.000 0.817 85 S CB 1.470 64.723 63.200 0.088 0.000 1.131 85 S HN 0.527 nan 8.310 nan 0.000 0.467 86 I N 1.304 121.851 120.570 -0.037 0.000 2.418 86 I HA 0.388 4.558 4.170 -0.001 0.000 0.287 86 I C -1.424 174.623 176.117 -0.117 0.000 1.008 86 I CA -0.694 60.526 61.300 -0.132 0.000 1.104 86 I CB 1.698 39.594 38.000 -0.173 0.000 1.264 86 I HN 0.434 nan 8.210 nan 0.000 0.438 87 L N 7.160 128.292 121.223 -0.151 0.000 2.259 87 L HA 0.353 4.693 4.340 -0.001 0.000 0.288 87 L C -0.776 175.960 176.870 -0.222 0.000 1.051 87 L CA -0.013 54.727 54.840 -0.167 0.000 0.824 87 L CB 0.376 42.308 42.059 -0.211 0.000 1.206 87 L HN 0.366 nan 8.230 nan 0.000 0.429 88 F N 4.183 123.941 119.950 -0.320 0.000 2.361 88 F HA 0.284 4.811 4.527 -0.000 0.000 0.364 88 F C -0.487 175.060 175.800 -0.422 0.000 1.120 88 F CA -0.725 57.056 58.000 -0.367 0.000 1.102 88 F CB 0.528 39.351 39.000 -0.296 0.000 1.183 88 F HN 0.404 nan 8.300 nan 0.000 0.476 89 Y N 5.826 125.580 120.300 -0.909 0.000 2.486 89 Y HA 0.187 4.737 4.550 -0.001 0.000 0.348 89 Y C 0.594 175.940 175.900 -0.923 0.000 1.000 89 Y CA -0.625 57.017 58.100 -0.763 0.000 1.253 89 Y CB 0.528 38.579 38.460 -0.681 0.000 1.140 89 Y HN 0.651 nan 8.280 nan 0.000 0.526 90 T N 3.597 117.477 114.554 -1.123 0.000 2.978 90 T HA 0.317 4.667 4.350 -0.001 0.000 0.278 90 T C 0.803 174.976 174.700 -0.878 0.000 0.945 90 T CA -0.372 60.975 62.100 -1.254 0.000 1.070 90 T CB -0.297 67.983 68.868 -0.980 0.000 0.948 90 T HN 0.943 nan 8.240 nan 0.000 0.617 91 G N 4.143 112.701 108.800 -0.402 0.000 2.287 91 G HA2 0.234 4.194 3.960 -0.001 0.000 0.235 91 G HA3 0.234 4.194 3.960 -0.001 0.000 0.235 91 G C 0.344 175.249 174.900 0.009 0.000 1.258 91 G CA -0.639 44.465 45.100 0.007 0.000 0.884 91 G HN 0.922 nan 8.290 nan 0.000 0.518 92 N N 0.430 118.933 118.700 -0.329 0.000 3.061 92 N HA 0.162 4.902 4.740 -0.001 0.000 0.346 92 N C 0.600 175.980 175.510 -0.216 0.000 1.392 92 N CA -0.779 52.139 53.050 -0.218 0.000 0.762 92 N CB 0.346 38.655 38.487 -0.296 0.000 1.367 92 N HN 0.520 nan 8.380 nan 0.000 0.607 93 E N 0.274 120.294 120.200 -0.300 0.000 3.460 93 E HA 0.168 4.517 4.350 -0.001 0.000 0.298 93 E C -0.067 176.414 176.600 -0.198 0.000 1.314 93 E CA 0.018 55.969 56.400 -0.747 0.000 1.393 93 E CB -1.441 28.063 29.700 -0.327 0.000 1.127 93 E HN 0.652 nan 8.360 nan 0.000 0.461 94 G N 0.649 109.481 108.800 0.053 0.000 2.342 94 G HA2 0.017 3.977 3.960 -0.001 0.000 0.297 94 G HA3 0.017 3.977 3.960 -0.001 0.000 0.297 94 G C -1.676 173.498 174.900 0.456 0.000 1.313 94 G CA -0.726 44.557 45.100 0.306 0.000 0.830 94 G HN 0.186 nan 8.290 nan 0.000 0.506 95 D N -0.129 120.425 120.400 0.256 0.000 2.450 95 D HA 0.035 4.674 4.640 -0.001 0.000 0.247 95 D C 1.364 177.857 176.300 0.322 0.000 1.162 95 D CA -0.384 53.779 54.000 0.272 0.000 0.879 95 D CB 1.216 42.117 40.800 0.169 0.000 1.163 95 D HN 0.166 nan 8.370 nan 0.000 0.472 96 I N 5.291 126.080 120.570 0.365 0.000 2.335 96 I HA -0.275 3.895 4.170 -0.001 0.000 0.251 96 I C 2.024 178.191 176.117 0.083 0.000 1.129 96 I CA 1.149 62.651 61.300 0.336 0.000 1.402 96 I CB -0.067 38.088 38.000 0.258 0.000 1.069 96 I HN 0.549 nan 8.210 nan 0.000 0.424 97 I N -0.773 119.808 120.570 0.018 0.000 2.208 97 I HA -0.345 3.824 4.170 -0.001 0.000 0.245 97 I C 2.414 178.472 176.117 -0.098 0.000 1.097 97 I CA 1.621 62.860 61.300 -0.102 0.000 1.363 97 I CB -0.799 37.208 38.000 0.012 0.000 1.051 97 I HN 0.513 nan 8.210 nan 0.000 0.413 98 W N 2.160 123.339 121.300 -0.201 0.000 2.335 98 W HA -0.283 4.377 4.660 -0.000 0.000 0.311 98 W C 2.054 178.363 176.519 -0.350 0.000 1.213 98 W CA 1.605 58.773 57.345 -0.294 0.000 1.274 98 W CB -0.486 28.722 29.460 -0.420 0.000 1.148 98 W HN 0.088 nan 8.180 nan 0.000 0.498 99 F N 0.587 120.386 119.950 -0.251 0.000 2.293 99 F HA -0.147 4.380 4.527 -0.001 0.000 0.300 99 F C 2.989 178.420 175.800 -0.613 0.000 1.086 99 F CA 1.564 59.274 58.000 -0.483 0.000 1.375 99 F CB -1.575 37.149 39.000 -0.459 0.000 1.045 99 F HN -0.041 nan 8.300 nan 0.000 0.516 100 C N 0.670 119.625 119.300 -0.575 0.000 2.476 100 C HA -0.127 4.332 4.460 -0.001 0.000 0.278 100 C C 2.767 177.513 174.990 -0.407 0.000 1.274 100 C CA 1.268 59.669 59.018 -1.029 0.000 1.713 100 C CB -1.211 25.813 27.740 -1.193 0.000 2.039 100 C HN 0.392 nan 8.230 nan 0.000 0.484 101 N N 1.577 120.060 118.700 -0.362 0.000 2.223 101 N HA -0.064 4.676 4.740 -0.001 0.000 0.185 101 N C 1.283 176.623 175.510 -0.284 0.000 1.016 101 N CA 1.400 54.280 53.050 -0.283 0.000 0.863 101 N CB -0.454 37.886 38.487 -0.246 0.000 0.983 101 N HN 0.674 nan 8.380 nan 0.000 0.429 102 N N -1.108 117.366 118.700 -0.378 0.000 2.250 102 N HA 0.048 4.788 4.740 -0.001 0.000 0.190 102 N C -0.337 175.116 175.510 -0.096 0.000 1.116 102 N CA 0.292 53.171 53.050 -0.285 0.000 0.881 102 N CB 0.551 38.700 38.487 -0.562 0.000 1.006 102 N HN 0.029 nan 8.380 nan 0.000 0.491 103 T N 0.783 115.323 114.554 -0.022 0.000 3.855 103 T HA 0.191 4.540 4.350 -0.001 0.000 0.306 103 T C 1.552 176.432 174.700 0.301 0.000 1.575 103 T CA -0.382 61.787 62.100 0.116 0.000 1.214 103 T CB 0.405 69.345 68.868 0.120 0.000 1.262 103 T HN 0.169 nan 8.240 nan 0.000 0.883 104 G N 1.422 110.365 108.800 0.240 0.000 2.469 104 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.219 104 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.219 104 G C 1.169 176.254 174.900 0.309 0.000 1.150 104 G CA 0.421 45.684 45.100 0.270 0.000 0.763 104 G HN 0.633 nan 8.290 nan 0.000 0.561 105 F N 0.921 120.930 119.950 0.097 0.000 2.147 105 F HA -0.164 4.363 4.527 -0.000 0.000 0.301 105 F C 2.671 178.497 175.800 0.044 0.000 1.084 105 F CA 1.982 60.011 58.000 0.047 0.000 1.268 105 F CB -0.087 38.915 39.000 0.003 0.000 1.009 105 F HN 0.127 nan 8.300 nan 0.000 0.486 106 M N -1.369 118.319 119.600 0.147 0.000 2.086 106 M HA -0.227 4.253 4.480 -0.001 0.000 0.261 106 M C 1.958 178.162 176.300 -0.159 0.000 1.067 106 M CA 2.189 57.436 55.300 -0.089 0.000 1.116 106 M CB -0.584 31.949 32.600 -0.111 0.000 1.348 106 M HN 0.270 nan 8.290 nan 0.000 0.407 107 W N 0.449 121.749 121.300 0.000 0.000 2.402 107 W HA -0.132 4.528 4.660 -0.001 0.000 0.286 107 W C 1.861 178.315 176.519 -0.109 0.000 1.221 107 W CA 0.556 57.898 57.345 -0.005 0.000 1.257 107 W CB -0.606 28.879 29.460 0.041 0.000 1.120 107 W HN 0.194 nan 8.180 nan 0.000 0.551 108 D N -0.664 119.779 120.400 0.071 0.000 2.219 108 D HA -0.104 4.535 4.640 -0.001 0.000 0.205 108 D C 1.986 178.152 176.300 -0.223 0.000 0.970 108 D CA 1.014 54.971 54.000 -0.073 0.000 0.851 108 D CB -0.144 40.623 40.800 -0.054 0.000 0.943 108 D HN 0.046 nan 8.370 nan 0.000 0.488 109 V N -0.342 119.366 119.914 -0.343 0.000 3.528 109 V HA 0.262 4.381 4.120 -0.001 0.000 0.294 109 V C 1.819 177.742 176.094 -0.284 0.000 1.404 109 V CA 0.698 62.757 62.300 -0.402 0.000 1.065 109 V CB 0.361 31.743 31.823 -0.736 0.000 0.904 109 V HN 0.088 nan 8.190 nan 0.000 0.435 110 A N 0.110 122.788 122.820 -0.237 0.000 1.851 110 A HA -0.293 4.026 4.320 -0.001 0.000 0.216 110 A C 2.078 179.566 177.584 -0.159 0.000 1.195 110 A CA 2.388 54.331 52.037 -0.158 0.000 0.622 110 A CB -0.551 18.408 19.000 -0.068 0.000 0.831 110 A HN 0.645 nan 8.150 nan 0.000 0.444 111 E N -0.824 119.133 120.200 -0.404 0.000 2.038 111 E HA -0.242 4.107 4.350 -0.001 0.000 0.195 111 E C 2.048 178.559 176.600 -0.147 0.000 1.000 111 E CA 1.301 57.473 56.400 -0.379 0.000 0.803 111 E CB -0.146 29.134 29.700 -0.700 0.000 0.750 111 E HN 0.519 nan 8.360 nan 0.000 0.448 112 E N 0.028 120.128 120.200 -0.167 0.000 2.118 112 E HA -0.171 4.179 4.350 -0.001 0.000 0.195 112 E C 1.628 178.185 176.600 -0.072 0.000 0.992 112 E CA 0.784 57.118 56.400 -0.111 0.000 0.804 112 E CB 0.050 29.670 29.700 -0.132 0.000 0.741 112 E HN 0.231 nan 8.360 nan 0.000 0.458 113 L N 0.880 122.060 121.223 -0.072 0.000 2.607 113 L HA 0.056 4.395 4.340 -0.001 0.000 0.228 113 L C 0.196 177.090 176.870 0.039 0.000 1.123 113 L CA 0.344 55.168 54.840 -0.027 0.000 0.890 113 L CB -0.491 41.533 42.059 -0.058 0.000 1.103 113 L HN 0.122 nan 8.230 nan 0.000 0.468 114 K N -0.554 119.877 120.400 0.050 0.000 4.040 114 K HA -0.190 4.129 4.320 -0.001 0.000 0.279 114 K C -0.077 176.659 176.600 0.226 0.000 0.890 114 K CA 0.792 57.152 56.287 0.122 0.000 0.782 114 K CB -2.142 30.403 32.500 0.075 0.000 1.613 114 K HN 0.176 nan 8.250 nan 0.000 0.440 115 A N 2.514 125.467 122.820 0.221 0.000 2.384 115 A HA 0.736 5.056 4.320 -0.001 0.000 0.312 115 A C -0.365 177.331 177.584 0.188 0.000 1.113 115 A CA -0.997 51.181 52.037 0.236 0.000 0.779 115 A CB 1.565 20.593 19.000 0.047 0.000 1.307 115 A HN 0.549 nan 8.150 nan 0.000 0.436 116 M N 2.070 121.642 119.600 -0.048 0.000 2.233 116 M HA 0.506 4.986 4.480 -0.001 0.000 0.355 116 M C -1.678 174.461 176.300 -0.269 0.000 1.191 116 M CA -0.430 54.691 55.300 -0.299 0.000 1.101 116 M CB 0.410 32.458 32.600 -0.920 0.000 1.592 116 M HN 0.611 nan 8.290 nan 0.000 0.461 117 L N 5.472 126.534 121.223 -0.267 0.000 2.282 117 L HA 0.571 4.911 4.340 -0.001 0.000 0.288 117 L C -0.974 175.688 176.870 -0.347 0.000 1.033 117 L CA -0.912 53.692 54.840 -0.394 0.000 0.807 117 L CB 1.570 43.307 42.059 -0.535 0.000 1.209 117 L HN 0.425 nan 8.230 nan 0.000 0.423 118 V N 3.433 123.073 119.914 -0.458 0.000 2.487 118 V HA 0.431 4.550 4.120 -0.001 0.000 0.298 118 V C -0.724 174.980 176.094 -0.650 0.000 1.028 118 V CA -0.396 61.699 62.300 -0.341 0.000 0.860 118 V CB 1.770 33.498 31.823 -0.159 0.000 0.991 118 V HN 0.398 nan 8.190 nan 0.000 0.427 119 F N 3.188 122.973 119.950 -0.276 0.000 2.382 119 F HA 0.712 5.239 4.527 -0.000 0.000 0.361 119 F C 0.537 176.208 175.800 -0.215 0.000 1.109 119 F CA -0.465 57.367 58.000 -0.279 0.000 1.031 119 F CB 1.622 40.479 39.000 -0.238 0.000 1.234 119 F HN 0.545 nan 8.300 nan 0.000 0.445 120 A N 3.309 125.961 122.820 -0.279 0.000 2.260 120 A HA 0.421 4.741 4.320 -0.001 0.000 0.308 120 A C -0.070 177.638 177.584 0.206 0.000 1.254 120 A CA -0.567 51.434 52.037 -0.059 0.000 0.874 120 A CB 0.399 19.254 19.000 -0.242 0.000 1.153 120 A HN 0.749 nan 8.150 nan 0.000 0.527 121 E N 1.610 122.000 120.200 0.317 0.000 2.373 121 E HA 0.051 4.400 4.350 -0.001 0.000 0.267 121 E C -0.264 176.639 176.600 0.506 0.000 1.032 121 E CA -0.263 56.378 56.400 0.403 0.000 0.889 121 E CB 0.381 30.304 29.700 0.372 0.000 0.984 121 E HN 0.741 nan 8.360 nan 0.000 0.425 122 H N 4.566 123.912 119.070 0.460 0.000 2.646 122 H HA 0.099 4.655 4.556 -0.000 0.000 0.325 122 H C -0.247 175.426 175.328 0.575 0.000 1.075 122 H CA -0.459 55.882 56.048 0.488 0.000 1.421 122 H CB 0.467 30.513 29.762 0.473 0.000 1.461 122 H HN 0.553 nan 8.280 nan 0.000 0.525 123 R N 3.523 124.386 120.500 0.604 0.000 2.638 123 R HA -0.069 4.271 4.340 -0.001 0.000 0.268 123 R C -0.501 176.212 176.300 0.688 0.000 1.006 123 R CA 0.158 56.574 56.100 0.527 0.000 1.088 123 R CB 0.020 30.540 30.300 0.367 0.000 0.950 123 R HN 0.840 nan 8.270 nan 0.000 0.419 124 Y N -1.738 118.637 120.300 0.124 0.000 4.936 124 Y HA -0.284 4.265 4.550 -0.001 0.000 0.266 124 Y C -0.856 174.967 175.900 -0.128 0.000 0.909 124 Y CA 1.175 59.216 58.100 -0.099 0.000 1.828 124 Y CB -2.216 36.059 38.460 -0.307 0.000 1.283 124 Y HN 0.675 nan 8.280 nan 0.000 0.511 125 Y N -0.450 120.131 120.300 0.469 0.000 2.499 125 Y HA 0.618 5.168 4.550 -0.001 0.000 0.347 125 Y C 1.137 177.246 175.900 0.349 0.000 0.987 125 Y CA -0.583 57.764 58.100 0.412 0.000 1.044 125 Y CB 1.704 40.416 38.460 0.419 0.000 1.245 125 Y HN 0.143 nan 8.280 nan 0.000 0.461 126 G N 1.649 110.715 108.800 0.444 0.000 2.591 126 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.298 126 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.298 126 G C 0.597 175.668 174.900 0.284 0.000 1.195 126 G CA 0.700 45.998 45.100 0.330 0.000 0.989 126 G HN 0.717 nan 8.290 nan 0.000 0.551 127 E N 0.547 120.920 120.200 0.288 0.000 2.481 127 E HA 0.292 4.641 4.350 -0.001 0.000 0.198 127 E C 0.768 177.553 176.600 0.308 0.000 1.027 127 E CA 0.397 56.965 56.400 0.279 0.000 0.900 127 E CB 0.334 30.230 29.700 0.326 0.000 0.993 127 E HN 0.212 nan 8.360 nan 0.000 0.482 128 S N 1.774 117.675 115.700 0.335 0.000 3.266 128 S HA 0.162 4.631 4.470 -0.001 0.000 0.209 128 S C -0.244 174.491 174.600 0.224 0.000 1.409 128 S CA -0.189 58.248 58.200 0.395 0.000 1.179 128 S CB -0.090 63.389 63.200 0.466 0.000 1.218 128 S HN 0.100 nan 8.310 nan 0.000 0.514 129 L N 2.501 123.769 121.223 0.076 0.000 2.264 129 L HA 0.360 4.700 4.340 -0.001 0.000 0.289 129 L C -1.652 174.925 176.870 -0.489 0.000 1.044 129 L CA -2.324 52.372 54.840 -0.239 0.000 0.807 129 L CB 0.262 42.285 42.059 -0.059 0.000 1.192 129 L HN 0.066 nan 8.230 nan 0.000 0.425 130 P HA -0.107 nan 4.420 nan 0.000 0.215 130 P C 0.731 177.495 177.300 -0.892 0.000 1.153 130 P CA 1.590 63.850 63.100 -1.400 0.000 0.853 130 P CB 0.152 30.751 31.700 -1.836 0.000 0.788 131 F N -1.838 117.944 119.950 -0.280 0.000 2.772 131 F HA 0.414 4.941 4.527 -0.000 0.000 0.302 131 F C 1.768 177.549 175.800 -0.033 0.000 1.136 131 F CA -0.136 57.825 58.000 -0.065 0.000 1.322 131 F CB -0.207 38.866 39.000 0.121 0.000 0.967 131 F HN -0.024 nan 8.300 nan 0.000 0.513 132 G N 1.554 110.385 108.800 0.052 0.000 2.622 132 G HA2 -0.462 3.498 3.960 -0.001 0.000 0.307 132 G HA3 -0.462 3.498 3.960 -0.001 0.000 0.307 132 G C 0.684 175.648 174.900 0.107 0.000 1.226 132 G CA 1.066 46.210 45.100 0.073 0.000 0.997 132 G HN 0.371 nan 8.290 nan 0.000 0.551 133 D N 0.814 121.276 120.400 0.103 0.000 2.178 133 D HA -0.001 4.639 4.640 -0.001 0.000 0.202 133 D C 2.134 178.495 176.300 0.101 0.000 0.974 133 D CA 1.226 55.291 54.000 0.108 0.000 0.841 133 D CB -0.141 40.702 40.800 0.071 0.000 0.953 133 D HN 0.422 nan 8.370 nan 0.000 0.478 134 N N 0.106 118.838 118.700 0.053 0.000 2.494 134 N HA -0.033 4.707 4.740 -0.001 0.000 0.182 134 N C 1.232 176.690 175.510 -0.087 0.000 1.076 134 N CA 0.163 53.153 53.050 -0.101 0.000 0.908 134 N CB 0.180 38.551 38.487 -0.194 0.000 0.967 134 N HN 0.038 nan 8.380 nan 0.000 0.449 135 S N 0.650 116.421 115.700 0.117 0.000 2.400 135 S HA -0.142 4.328 4.470 -0.001 0.000 0.234 135 S C 1.080 175.573 174.600 -0.179 0.000 1.049 135 S CA 1.342 59.575 58.200 0.055 0.000 1.039 135 S CB -0.217 62.869 63.200 -0.190 0.000 0.856 135 S HN 0.365 nan 8.310 nan 0.000 0.465 136 F N 0.874 120.888 119.950 0.108 0.000 2.639 136 F HA 0.361 4.888 4.527 -0.000 0.000 0.302 136 F C 1.616 177.453 175.800 0.061 0.000 1.097 136 F CA -0.566 57.490 58.000 0.093 0.000 1.294 136 F CB -0.019 39.066 39.000 0.140 0.000 1.027 136 F HN 0.001 nan 8.300 nan 0.000 0.550 137 K N 0.932 121.344 120.400 0.021 0.000 1.971 137 K HA -0.183 4.137 4.320 -0.001 0.000 0.221 137 K C 0.054 176.645 176.600 -0.014 0.000 1.050 137 K CA 2.166 58.396 56.287 -0.095 0.000 0.967 137 K CB -0.124 32.122 32.500 -0.424 0.000 0.733 137 K HN 0.308 nan 8.250 nan 0.000 0.445 138 D N -2.455 117.940 120.400 -0.009 0.000 2.636 138 D HA 0.038 4.677 4.640 -0.001 0.000 0.275 138 D C 0.241 176.554 176.300 0.021 0.000 1.130 138 D CA -0.568 53.458 54.000 0.043 0.000 1.031 138 D CB 1.022 41.844 40.800 0.037 0.000 1.451 138 D HN 0.012 nan 8.370 nan 0.000 0.505 139 S N -0.940 114.763 115.700 0.005 0.000 2.419 139 S HA -0.192 4.278 4.470 -0.001 0.000 0.235 139 S C 1.666 176.196 174.600 -0.117 0.000 1.019 139 S CA 1.395 59.569 58.200 -0.043 0.000 0.982 139 S CB -0.254 62.935 63.200 -0.018 0.000 0.789 139 S HN 0.440 nan 8.310 nan 0.000 0.490 140 R N -0.845 119.600 120.500 -0.092 0.000 2.073 140 R HA 0.017 4.357 4.340 -0.001 0.000 0.229 140 R C 2.126 178.276 176.300 -0.251 0.000 1.120 140 R CA 1.769 57.773 56.100 -0.161 0.000 0.967 140 R CB -0.287 29.939 30.300 -0.124 0.000 0.862 140 R HN 0.538 nan 8.270 nan 0.000 0.436 141 H N -0.880 118.046 119.070 -0.240 0.000 2.470 141 H HA 0.071 4.627 4.556 -0.000 0.000 0.289 141 H C 1.275 176.609 175.328 0.010 0.000 1.033 141 H CA 0.977 56.888 56.048 -0.228 0.000 1.331 141 H CB 0.304 29.907 29.762 -0.265 0.000 1.414 141 H HN 0.078 nan 8.280 nan 0.000 0.545 142 L N -0.037 121.075 121.223 -0.185 0.000 2.592 142 L HA 0.022 4.362 4.340 -0.001 0.000 0.227 142 L C 1.782 178.281 176.870 -0.619 0.000 1.127 142 L CA -0.019 54.454 54.840 -0.612 0.000 0.884 142 L CB 0.004 41.347 42.059 -1.193 0.000 1.065 142 L HN 0.267 nan 8.230 nan 0.000 0.457 143 N N 1.165 119.566 118.700 -0.499 0.000 2.091 143 N HA -0.250 4.490 4.740 -0.001 0.000 0.193 143 N C 1.313 176.493 175.510 -0.550 0.000 1.021 143 N CA 1.862 54.556 53.050 -0.592 0.000 0.862 143 N CB -0.121 37.817 38.487 -0.915 0.000 1.018 143 N HN 0.221 nan 8.380 nan 0.000 0.429 144 F N -0.316 119.690 119.950 0.092 0.000 2.816 144 F HA 0.202 4.729 4.527 -0.000 0.000 0.302 144 F C 0.489 176.376 175.800 0.144 0.000 1.178 144 F CA -0.226 57.871 58.000 0.161 0.000 1.421 144 F CB -0.416 38.692 39.000 0.180 0.000 1.114 144 F HN 0.025 nan 8.300 nan 0.000 0.573 145 L N 2.149 123.308 121.223 -0.107 0.000 2.352 145 L HA 0.402 4.741 4.340 -0.001 0.000 0.272 145 L C 0.132 177.085 176.870 0.137 0.000 1.109 145 L CA -0.131 54.601 54.840 -0.180 0.000 0.952 145 L CB -0.652 40.897 42.059 -0.849 0.000 1.314 145 L HN 0.157 nan 8.230 nan 0.000 0.427 146 T N -0.940 113.769 114.554 0.259 0.000 2.865 146 T HA 0.418 4.768 4.350 -0.001 0.000 0.294 146 T C 0.927 175.859 174.700 0.387 0.000 1.119 146 T CA -0.043 62.219 62.100 0.270 0.000 1.007 146 T CB 1.263 70.248 68.868 0.195 0.000 1.225 146 T HN 0.363 nan 8.240 nan 0.000 0.515 147 S N 0.364 116.322 115.700 0.429 0.000 2.406 147 S HA -0.072 4.397 4.470 -0.001 0.000 0.228 147 S C 1.497 176.322 174.600 0.376 0.000 1.020 147 S CA 0.895 59.404 58.200 0.516 0.000 0.965 147 S CB -0.688 62.902 63.200 0.649 0.000 0.798 147 S HN 0.775 nan 8.310 nan 0.000 0.488 148 E N 1.864 122.264 120.200 0.333 0.000 2.051 148 E HA -0.097 4.253 4.350 -0.001 0.000 0.192 148 E C 2.460 179.339 176.600 0.465 0.000 0.991 148 E CA 1.444 58.036 56.400 0.320 0.000 0.799 148 E CB -0.331 29.347 29.700 -0.035 0.000 0.748 148 E HN 0.510 nan 8.360 nan 0.000 0.449 149 Q N 0.053 120.146 119.800 0.489 0.000 2.084 149 Q HA -0.127 4.212 4.340 -0.001 0.000 0.202 149 Q C 2.307 178.387 176.000 0.133 0.000 0.978 149 Q CA 1.536 57.640 55.803 0.503 0.000 0.844 149 Q CB -0.428 28.612 28.738 0.504 0.000 0.898 149 Q HN 0.332 nan 8.270 nan 0.000 0.426 150 A N 1.211 124.008 122.820 -0.039 0.000 1.877 150 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 150 A C 2.271 179.330 177.584 -0.875 0.000 1.186 150 A CA 1.180 52.881 52.037 -0.559 0.000 0.620 150 A CB -0.789 17.790 19.000 -0.701 0.000 0.822 150 A HN 0.296 nan 8.150 nan 0.000 0.443 151 L N -0.864 120.143 121.223 -0.360 0.000 2.046 151 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 151 L C 3.091 179.668 176.870 -0.487 0.000 1.077 151 L CA 1.084 55.724 54.840 -0.333 0.000 0.747 151 L CB -0.628 41.522 42.059 0.152 0.000 0.896 151 L HN 0.456 nan 8.230 nan 0.000 0.432 152 A N -0.171 122.475 122.820 -0.290 0.000 1.933 152 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 152 A C 1.915 179.129 177.584 -0.618 0.000 1.175 152 A CA 1.838 53.597 52.037 -0.463 0.000 0.628 152 A CB -0.436 18.198 19.000 -0.610 0.000 0.814 152 A HN 0.364 nan 8.150 nan 0.000 0.444 153 D N -0.490 119.597 120.400 -0.523 0.000 2.117 153 D HA -0.122 4.518 4.640 -0.001 0.000 0.197 153 D C 1.586 177.767 176.300 -0.198 0.000 0.987 153 D CA 1.107 54.944 54.000 -0.272 0.000 0.829 153 D CB -0.448 40.218 40.800 -0.224 0.000 0.961 153 D HN 0.441 nan 8.370 nan 0.000 0.460 154 F N 1.601 121.373 119.950 -0.295 0.000 2.171 154 F HA -0.066 4.461 4.527 -0.001 0.000 0.300 154 F C 2.529 178.117 175.800 -0.353 0.000 1.090 154 F CA 0.417 58.186 58.000 -0.386 0.000 1.293 154 F CB -1.245 37.233 39.000 -0.869 0.000 1.013 154 F HN -0.081 nan 8.300 nan 0.000 0.486 155 A N 0.099 122.836 122.820 -0.138 0.000 1.873 155 A HA -0.140 4.180 4.320 -0.001 0.000 0.215 155 A C 2.244 179.789 177.584 -0.065 0.000 1.186 155 A CA 1.510 53.510 52.037 -0.063 0.000 0.616 155 A CB -0.597 18.305 19.000 -0.164 0.000 0.823 155 A HN 0.278 nan 8.150 nan 0.000 0.442 156 E N -0.405 119.759 120.200 -0.060 0.000 2.085 156 E HA -0.204 4.146 4.350 -0.001 0.000 0.194 156 E C 1.986 178.504 176.600 -0.138 0.000 0.994 156 E CA 1.324 57.742 56.400 0.029 0.000 0.801 156 E CB -0.525 29.295 29.700 0.201 0.000 0.743 156 E HN 0.518 nan 8.360 nan 0.000 0.453 157 L N 1.115 122.208 121.223 -0.216 0.000 2.056 157 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 157 L C 2.253 178.904 176.870 -0.364 0.000 1.078 157 L CA 1.289 55.827 54.840 -0.503 0.000 0.749 157 L CB -0.366 41.544 42.059 -0.247 0.000 0.901 157 L HN 0.029 nan 8.230 nan 0.000 0.433 158 I N -0.776 119.636 120.570 -0.263 0.000 2.179 158 I HA -0.310 3.860 4.170 -0.001 0.000 0.242 158 I C 2.533 178.538 176.117 -0.185 0.000 1.088 158 I CA 1.185 62.326 61.300 -0.265 0.000 1.357 158 I CB -0.556 37.230 38.000 -0.356 0.000 1.051 158 I HN 0.244 nan 8.210 nan 0.000 0.409 159 K N 0.153 120.476 120.400 -0.128 0.000 2.034 159 K HA -0.317 4.002 4.320 -0.001 0.000 0.214 159 K C 2.203 178.758 176.600 -0.075 0.000 1.051 159 K CA 2.305 58.555 56.287 -0.061 0.000 0.931 159 K CB -0.570 31.931 32.500 0.001 0.000 0.715 159 K HN 0.404 nan 8.250 nan 0.000 0.446 160 H N 0.811 119.719 119.070 -0.270 0.000 2.353 160 H HA -0.047 4.509 4.556 -0.000 0.000 0.300 160 H C 2.023 177.219 175.328 -0.220 0.000 1.090 160 H CA 1.733 57.599 56.048 -0.305 0.000 1.327 160 H CB -0.193 29.098 29.762 -0.786 0.000 1.383 160 H HN 0.078 nan 8.280 nan 0.000 0.508 161 L N 0.132 121.173 121.223 -0.303 0.000 2.056 161 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 161 L C 2.505 179.261 176.870 -0.191 0.000 1.078 161 L CA 1.398 56.078 54.840 -0.268 0.000 0.749 161 L CB -0.379 41.563 42.059 -0.196 0.000 0.901 161 L HN 0.265 nan 8.230 nan 0.000 0.433 162 K N -0.073 120.245 120.400 -0.137 0.000 2.147 162 K HA -0.171 4.149 4.320 -0.001 0.000 0.205 162 K C 2.257 178.827 176.600 -0.050 0.000 1.049 162 K CA 1.056 57.305 56.287 -0.063 0.000 0.936 162 K CB -0.124 32.353 32.500 -0.038 0.000 0.722 162 K HN 0.242 nan 8.250 nan 0.000 0.446 163 R N 0.447 120.895 120.500 -0.087 0.000 2.062 163 R HA -0.062 4.278 4.340 -0.001 0.000 0.229 163 R C 2.180 178.426 176.300 -0.090 0.000 1.128 163 R CA 1.581 57.642 56.100 -0.065 0.000 0.960 163 R CB -0.026 30.242 30.300 -0.052 0.000 0.855 163 R HN 0.090 nan 8.270 nan 0.000 0.432 164 T N 0.886 115.318 114.554 -0.203 0.000 2.698 164 T HA 0.039 4.389 4.350 -0.001 0.000 0.260 164 T C 0.677 175.332 174.700 -0.074 0.000 1.044 164 T CA 0.734 62.720 62.100 -0.190 0.000 1.149 164 T CB -0.025 68.581 68.868 -0.436 0.000 0.864 164 T HN 0.032 nan 8.240 nan 0.000 0.419 165 I N 4.168 124.698 120.570 -0.068 0.000 2.421 165 I HA 0.167 4.337 4.170 -0.001 0.000 0.291 165 I C -2.209 173.974 176.117 0.109 0.000 1.089 165 I CA -2.081 59.234 61.300 0.024 0.000 1.354 165 I CB 0.398 38.382 38.000 -0.027 0.000 1.413 165 I HN 0.045 nan 8.210 nan 0.000 0.513 166 P HA 0.132 nan 4.420 nan 0.000 0.271 166 P C 0.831 178.262 177.300 0.219 0.000 1.233 166 P CA 0.442 63.623 63.100 0.135 0.000 0.764 166 P CB 1.127 32.884 31.700 0.094 0.000 0.825 167 G N 3.285 112.204 108.800 0.199 0.000 2.391 167 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.204 167 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.204 167 G C 1.114 176.221 174.900 0.344 0.000 1.012 167 G CA 0.388 45.618 45.100 0.218 0.000 0.651 167 G HN 0.616 nan 8.290 nan 0.000 0.494 168 A N 1.666 124.717 122.820 0.386 0.000 1.877 168 A HA 0.081 4.401 4.320 -0.001 0.000 0.216 168 A C 2.177 179.862 177.584 0.167 0.000 1.186 168 A CA 2.545 54.744 52.037 0.270 0.000 0.620 168 A CB -0.661 18.383 19.000 0.073 0.000 0.822 168 A HN 1.134 nan 8.150 nan 0.000 0.443 169 E N 0.380 120.654 120.200 0.122 0.000 2.276 169 E HA -0.299 4.051 4.350 -0.001 0.000 0.226 169 E C 0.208 176.884 176.600 0.128 0.000 1.090 169 E CA 2.115 58.572 56.400 0.095 0.000 0.930 169 E CB -0.768 28.979 29.700 0.079 0.000 0.791 169 E HN 0.537 nan 8.360 nan 0.000 0.467 170 N N 0.930 119.742 118.700 0.185 0.000 2.338 170 N HA 0.140 4.880 4.740 -0.001 0.000 0.251 170 N C -0.502 175.260 175.510 0.420 0.000 1.199 170 N CA -0.022 53.183 53.050 0.258 0.000 0.879 170 N CB 0.866 39.468 38.487 0.193 0.000 1.159 170 N HN 0.256 nan 8.380 nan 0.000 0.514 171 Q N 0.916 120.896 119.800 0.302 0.000 2.221 171 Q HA 0.380 4.720 4.340 -0.001 0.000 0.242 171 Q C -2.320 173.522 176.000 -0.262 0.000 0.940 171 Q CA -1.660 54.276 55.803 0.223 0.000 0.896 171 Q CB 1.215 30.118 28.738 0.274 0.000 1.226 171 Q HN 0.120 nan 8.270 nan 0.000 0.463 172 P HA 0.117 nan 4.420 nan 0.000 0.288 172 P C -1.195 175.812 177.300 -0.488 0.000 1.267 172 P CA -0.318 62.116 63.100 -1.111 0.000 0.815 172 P CB 1.115 32.081 31.700 -1.224 0.000 0.989 173 V N 4.686 124.336 119.914 -0.440 0.000 2.448 173 V HA 0.511 4.631 4.120 -0.001 0.000 0.295 173 V C -0.726 175.221 176.094 -0.244 0.000 1.025 173 V CA -0.967 61.163 62.300 -0.283 0.000 0.859 173 V CB 0.655 32.319 31.823 -0.265 0.000 0.988 173 V HN 0.314 nan 8.190 nan 0.000 0.431 174 I N 6.864 127.352 120.570 -0.137 0.000 2.339 174 I HA 0.646 4.816 4.170 -0.001 0.000 0.290 174 I C 0.638 176.717 176.117 -0.065 0.000 0.994 174 I CA -0.488 60.770 61.300 -0.071 0.000 1.191 174 I CB 1.750 39.795 38.000 0.075 0.000 1.343 174 I HN 0.761 nan 8.210 nan 0.000 0.458 175 A N 8.142 130.903 122.820 -0.098 0.000 2.362 175 A HA 0.671 4.990 4.320 -0.001 0.000 0.276 175 A C -0.328 177.166 177.584 -0.150 0.000 1.153 175 A CA -0.213 51.779 52.037 -0.075 0.000 0.813 175 A CB 0.108 19.085 19.000 -0.040 0.000 1.081 175 A HN 0.553 nan 8.150 nan 0.000 0.507 176 I N 1.783 122.216 120.570 -0.228 0.000 2.509 176 I HA 0.759 4.929 4.170 -0.001 0.000 0.293 176 I C 0.487 176.257 176.117 -0.579 0.000 1.020 176 I CA -0.220 60.920 61.300 -0.266 0.000 1.088 176 I CB 1.268 39.200 38.000 -0.113 0.000 1.267 176 I HN 0.762 nan 8.210 nan 0.000 0.430 177 G N 2.677 111.155 108.800 -0.536 0.000 2.703 177 G HA2 0.645 4.605 3.960 -0.001 0.000 0.294 177 G HA3 0.645 4.605 3.960 -0.001 0.000 0.294 177 G C -1.309 173.340 174.900 -0.418 0.000 1.451 177 G CA -0.613 44.035 45.100 -0.753 0.000 0.869 177 G HN 0.852 nan 8.290 nan 0.000 0.516 178 G N -0.440 108.168 108.800 -0.320 0.000 2.495 178 G HA2 0.721 4.680 3.960 -0.001 0.000 0.318 178 G HA3 0.721 4.680 3.960 -0.001 0.000 0.318 178 G C 0.527 175.410 174.900 -0.028 0.000 1.257 178 G CA 0.904 45.869 45.100 -0.224 0.000 0.962 178 G HN 1.895 nan 8.290 nan 0.000 0.483 179 S N 0.532 116.285 115.700 0.089 0.000 4.150 179 S HA -0.441 4.028 4.470 -0.001 0.000 0.575 179 S C 1.367 175.890 174.600 -0.129 0.000 1.878 179 S CA 1.697 59.919 58.200 0.037 0.000 4.245 179 S CB -1.511 61.804 63.200 0.192 0.000 0.231 179 S HN 1.684 nan 8.310 nan 0.000 0.469 180 Y N 3.834 123.970 120.300 -0.274 0.000 2.337 180 Y HA 0.273 4.823 4.550 -0.000 0.000 0.293 180 Y C 2.416 178.156 175.900 -0.267 0.000 1.123 180 Y CA 1.645 59.583 58.100 -0.270 0.000 1.201 180 Y CB -1.081 37.212 38.460 -0.280 0.000 1.011 180 Y HN 0.580 nan 8.280 nan 0.000 0.545 181 G N -0.033 108.487 108.800 -0.466 0.000 2.450 181 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.220 181 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.220 181 G C 1.852 176.385 174.900 -0.612 0.000 1.130 181 G CA 0.791 45.509 45.100 -0.637 0.000 0.760 181 G HN 0.610 nan 8.290 nan 0.000 0.557 182 G N 0.685 109.212 108.800 -0.454 0.000 2.394 182 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.215 182 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.215 182 G C 1.887 176.502 174.900 -0.476 0.000 1.165 182 G CA 0.883 45.742 45.100 -0.402 0.000 0.784 182 G HN 0.424 nan 8.290 nan 0.000 0.535 183 M N -0.001 119.255 119.600 -0.573 0.000 2.117 183 M HA 0.053 4.532 4.480 -0.001 0.000 0.262 183 M C 2.568 178.112 176.300 -1.260 0.000 1.065 183 M CA 1.087 55.787 55.300 -1.000 0.000 1.114 183 M CB -0.463 31.539 32.600 -0.998 0.000 1.361 183 M HN 0.116 nan 8.290 nan 0.000 0.408 184 L N -0.090 120.644 121.223 -0.815 0.000 2.017 184 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 184 L C 2.907 179.622 176.870 -0.258 0.000 1.073 184 L CA 1.357 55.951 54.840 -0.410 0.000 0.745 184 L CB -0.880 40.929 42.059 -0.417 0.000 0.894 184 L HN 0.330 nan 8.230 nan 0.000 0.432 185 A N -0.070 122.527 122.820 -0.373 0.000 1.883 185 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 185 A C 2.513 179.970 177.584 -0.210 0.000 1.186 185 A CA 1.984 53.859 52.037 -0.269 0.000 0.624 185 A CB -0.846 17.933 19.000 -0.369 0.000 0.822 185 A HN 0.438 nan 8.150 nan 0.000 0.444 186 A N -1.200 121.425 122.820 -0.324 0.000 1.865 186 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 186 A C 2.012 179.542 177.584 -0.090 0.000 1.191 186 A CA 1.597 53.464 52.037 -0.283 0.000 0.623 186 A CB -0.917 17.923 19.000 -0.266 0.000 0.826 186 A HN 0.755 nan 8.150 nan 0.000 0.444 187 W N -1.476 119.736 121.300 -0.146 0.000 2.374 187 W HA -0.091 4.569 4.660 -0.001 0.000 0.288 187 W C 2.007 178.572 176.519 0.076 0.000 1.218 187 W CA 0.427 57.690 57.345 -0.136 0.000 1.245 187 W CB -1.385 27.793 29.460 -0.471 0.000 1.126 187 W HN 0.423 nan 8.180 nan 0.000 0.545 188 F N 1.571 121.589 119.950 0.113 0.000 2.134 188 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 188 F C 2.644 178.450 175.800 0.009 0.000 1.097 188 F CA 1.914 59.965 58.000 0.085 0.000 1.264 188 F CB -0.765 38.207 39.000 -0.047 0.000 1.001 188 F HN -0.124 nan 8.300 nan 0.000 0.479 189 R N -0.094 120.340 120.500 -0.110 0.000 2.092 189 R HA -0.134 4.206 4.340 -0.001 0.000 0.231 189 R C 2.200 178.395 176.300 -0.173 0.000 1.119 189 R CA 1.658 57.606 56.100 -0.254 0.000 0.970 189 R CB -0.301 29.811 30.300 -0.312 0.000 0.864 189 R HN 0.296 nan 8.270 nan 0.000 0.440 190 M N 0.253 119.762 119.600 -0.151 0.000 2.117 190 M HA -0.135 4.345 4.480 -0.001 0.000 0.262 190 M C 1.802 178.081 176.300 -0.034 0.000 1.065 190 M CA 1.646 56.769 55.300 -0.295 0.000 1.114 190 M CB -0.093 32.257 32.600 -0.416 0.000 1.361 190 M HN 0.038 nan 8.290 nan 0.000 0.408 191 K N -0.700 119.731 120.400 0.052 0.000 2.244 191 K HA 0.065 4.385 4.320 -0.001 0.000 0.200 191 K C 0.102 176.534 176.600 -0.281 0.000 1.052 191 K CA 0.905 57.174 56.287 -0.030 0.000 0.980 191 K CB 0.231 32.794 32.500 0.105 0.000 0.838 191 K HN 0.364 nan 8.250 nan 0.000 0.481 192 Y N 1.784 121.937 120.300 -0.245 0.000 2.635 192 Y HA 0.193 4.742 4.550 -0.001 0.000 0.373 192 Y C -1.704 173.725 175.900 -0.784 0.000 1.000 192 Y CA -1.921 55.775 58.100 -0.673 0.000 1.219 192 Y CB 0.824 38.820 38.460 -0.773 0.000 1.294 192 Y HN 0.020 nan 8.280 nan 0.000 0.612 193 P HA -0.202 nan 4.420 nan 0.000 0.226 193 P C 1.027 178.188 177.300 -0.232 0.000 1.153 193 P CA 1.589 64.534 63.100 -0.259 0.000 0.777 193 P CB 0.046 31.688 31.700 -0.097 0.000 0.794 194 H N -2.268 116.733 119.070 -0.115 0.000 2.547 194 H HA 0.181 4.737 4.556 -0.000 0.000 0.272 194 H C 1.303 176.558 175.328 -0.121 0.000 0.989 194 H CA 0.531 56.530 56.048 -0.081 0.000 1.214 194 H CB -0.415 29.323 29.762 -0.039 0.000 1.389 194 H HN 0.077 nan 8.280 nan 0.000 0.577 195 M N 1.434 120.750 119.600 -0.474 0.000 2.556 195 M HA 0.131 4.610 4.480 -0.001 0.000 0.264 195 M C 0.856 176.870 176.300 -0.476 0.000 1.163 195 M CA 0.322 55.361 55.300 -0.436 0.000 1.186 195 M CB 0.404 32.636 32.600 -0.614 0.000 1.321 195 M HN 0.142 nan 8.290 nan 0.000 0.485 196 V N -0.614 118.960 119.914 -0.566 0.000 2.680 196 V HA 0.469 4.589 4.120 -0.001 0.000 0.309 196 V C 1.134 176.983 176.094 -0.407 0.000 1.052 196 V CA -0.870 61.139 62.300 -0.485 0.000 0.908 196 V CB 1.465 32.978 31.823 -0.517 0.000 1.001 196 V HN 0.141 nan 8.190 nan 0.000 0.431 197 V N 1.190 120.879 119.914 -0.376 0.000 2.591 197 V HA 0.583 4.703 4.120 -0.001 0.000 0.249 197 V C 0.986 176.753 176.094 -0.545 0.000 1.053 197 V CA 1.577 63.668 62.300 -0.347 0.000 1.068 197 V CB -0.963 30.706 31.823 -0.256 0.000 0.689 197 V HN 1.559 nan 8.190 nan 0.000 0.462 198 G N -1.457 106.957 108.800 -0.643 0.000 2.606 198 G HA2 0.775 4.735 3.960 -0.001 0.000 0.300 198 G HA3 0.775 4.735 3.960 -0.001 0.000 0.300 198 G C -1.630 172.870 174.900 -0.667 0.000 1.360 198 G CA -0.304 44.127 45.100 -1.115 0.000 0.783 198 G HN 1.050 nan 8.290 nan 0.000 0.484 199 A N -0.848 121.574 122.820 -0.664 0.000 2.520 199 A HA 0.713 5.033 4.320 -0.001 0.000 0.298 199 A C -1.734 175.748 177.584 -0.169 0.000 1.051 199 A CA -0.575 51.272 52.037 -0.317 0.000 0.690 199 A CB 1.955 20.742 19.000 -0.355 0.000 1.281 199 A HN 1.768 nan 8.150 nan 0.000 0.402 200 L N 2.474 123.633 121.223 -0.106 0.000 2.283 200 L HA 0.735 5.075 4.340 -0.001 0.000 0.281 200 L C 0.247 176.965 176.870 -0.255 0.000 1.033 200 L CA -0.216 54.552 54.840 -0.121 0.000 0.848 200 L CB 0.882 42.916 42.059 -0.042 0.000 1.226 200 L HN 0.883 nan 8.230 nan 0.000 0.429 201 A N 5.194 127.807 122.820 -0.345 0.000 2.910 201 A HA 0.737 5.056 4.320 -0.001 0.000 0.316 201 A C 0.454 177.923 177.584 -0.192 0.000 1.493 201 A CA -0.053 51.789 52.037 -0.326 0.000 1.150 201 A CB -0.388 18.349 19.000 -0.440 0.000 1.159 201 A HN 0.950 nan 8.150 nan 0.000 0.526 202 A N 1.801 124.500 122.820 -0.202 0.000 2.395 202 A HA 0.521 4.841 4.320 -0.001 0.000 0.286 202 A C 0.991 178.532 177.584 -0.071 0.000 1.193 202 A CA 0.254 52.201 52.037 -0.149 0.000 0.852 202 A CB -0.622 18.245 19.000 -0.222 0.000 1.118 202 A HN 1.689 nan 8.150 nan 0.000 0.524 203 S N 0.115 115.803 115.700 -0.020 0.000 3.628 203 S HA -0.168 4.302 4.470 -0.001 0.000 0.373 203 S C 0.381 175.000 174.600 0.031 0.000 0.968 203 S CA 0.661 58.879 58.200 0.030 0.000 1.215 203 S CB -1.649 61.497 63.200 -0.090 0.000 0.912 203 S HN 2.007 nan 8.310 nan 0.000 0.495 204 A N 1.826 124.636 122.820 -0.017 0.000 2.341 204 A HA 0.603 4.922 4.320 -0.001 0.000 0.326 204 A C -1.845 175.692 177.584 -0.078 0.000 1.402 204 A CA -1.687 50.294 52.037 -0.093 0.000 0.957 204 A CB 0.349 19.267 19.000 -0.136 0.000 1.151 204 A HN 0.195 nan 8.150 nan 0.000 0.533 205 P HA 0.117 nan 4.420 nan 0.000 0.225 205 P C 0.662 178.011 177.300 0.080 0.000 1.813 205 P CA -0.183 62.948 63.100 0.051 0.000 1.013 205 P CB -0.583 31.223 31.700 0.178 0.000 1.961 206 I N -5.048 115.510 120.570 -0.020 0.000 3.083 206 I HA 0.070 4.239 4.170 -0.001 0.000 0.273 206 I C 0.367 176.791 176.117 0.512 0.000 1.297 206 I CA 0.892 62.284 61.300 0.154 0.000 1.452 206 I CB -0.560 37.363 38.000 -0.129 0.000 1.078 206 I HN 0.009 nan 8.210 nan 0.000 0.484 207 W N 0.925 122.391 121.300 0.277 0.000 2.862 207 W HA 0.349 5.008 4.660 -0.001 0.000 0.376 207 W C 1.153 177.780 176.519 0.181 0.000 1.028 207 W CA -0.718 56.784 57.345 0.262 0.000 1.757 207 W CB -0.512 29.016 29.460 0.113 0.000 1.128 207 W HN 0.171 nan 8.180 nan 0.000 0.566 208 Q N 1.010 120.916 119.800 0.175 0.000 2.516 208 Q HA 0.156 4.496 4.340 -0.001 0.000 0.245 208 Q C -1.130 174.487 176.000 -0.638 0.000 0.958 208 Q CA 0.614 56.301 55.803 -0.193 0.000 0.959 208 Q CB -1.087 27.544 28.738 -0.179 0.000 1.403 208 Q HN -0.069 nan 8.270 nan 0.000 0.405 209 F N -1.387 118.589 119.950 0.044 0.000 2.613 209 F HA 0.344 4.871 4.527 -0.000 0.000 0.310 209 F C 0.920 176.696 175.800 -0.040 0.000 1.085 209 F CA -1.113 56.878 58.000 -0.014 0.000 0.945 209 F CB 1.392 40.439 39.000 0.078 0.000 1.298 209 F HN 0.158 nan 8.300 nan 0.000 0.455 210 E N 0.368 120.645 120.200 0.129 0.000 3.374 210 E HA -0.348 4.002 4.350 -0.001 0.000 0.375 210 E C 0.068 176.674 176.600 0.010 0.000 1.535 210 E CA 2.071 58.515 56.400 0.073 0.000 1.664 210 E CB -0.674 29.089 29.700 0.105 0.000 1.707 210 E HN 0.872 nan 8.360 nan 0.000 0.469 211 D N 0.561 120.977 120.400 0.026 0.000 2.363 211 D HA 0.183 4.823 4.640 -0.001 0.000 0.214 211 D C 1.643 177.938 176.300 -0.007 0.000 1.093 211 D CA 0.003 54.007 54.000 0.007 0.000 0.837 211 D CB -0.115 40.694 40.800 0.015 0.000 0.948 211 D HN 0.238 nan 8.370 nan 0.000 0.507 212 L N 0.226 121.450 121.223 0.002 0.000 2.042 212 L HA -0.065 4.275 4.340 -0.001 0.000 0.210 212 L C 1.024 177.876 176.870 -0.029 0.000 1.076 212 L CA 0.855 55.672 54.840 -0.038 0.000 0.749 212 L CB -0.494 41.562 42.059 -0.006 0.000 0.893 212 L HN 0.233 nan 8.230 nan 0.000 0.432 213 V N -4.973 114.952 119.914 0.018 0.000 3.102 213 V HA 0.601 4.720 4.120 -0.001 0.000 0.312 213 V C -2.699 173.404 176.094 0.015 0.000 1.135 213 V CA -2.224 60.099 62.300 0.038 0.000 1.022 213 V CB 1.215 33.097 31.823 0.099 0.000 1.056 213 V HN -0.149 nan 8.190 nan 0.000 0.436 214 P HA 0.325 nan 4.420 nan 0.000 0.279 214 P C 0.965 178.277 177.300 0.020 0.000 1.239 214 P CA -0.239 62.875 63.100 0.023 0.000 0.789 214 P CB 0.853 32.578 31.700 0.041 0.000 0.933 215 c N 0.677 119.268 118.600 -0.014 0.000 2.409 215 c HA -0.012 4.558 4.570 -0.001 0.000 0.288 215 c C 2.422 176.564 174.090 0.087 0.000 1.395 215 c CA 1.066 57.379 56.329 -0.027 0.000 1.792 215 c CB -1.885 40.571 42.510 -0.089 0.000 1.847 215 c HN 0.620 nan 8.230 nan 0.000 0.534 216 G N 0.283 109.134 108.800 0.085 0.000 2.396 216 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.214 216 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.214 216 G C 1.675 176.643 174.900 0.112 0.000 1.166 216 G CA 0.841 45.999 45.100 0.096 0.000 0.793 216 G HN 0.472 nan 8.290 nan 0.000 0.533 217 V N 0.615 120.597 119.914 0.113 0.000 2.265 217 V HA -0.356 3.764 4.120 -0.001 0.000 0.259 217 V C 2.321 178.488 176.094 0.122 0.000 1.084 217 V CA 2.909 65.278 62.300 0.114 0.000 1.076 217 V CB -0.537 31.354 31.823 0.113 0.000 0.680 217 V HN 0.441 nan 8.190 nan 0.000 0.452 218 F N -0.485 119.450 119.950 -0.025 0.000 2.065 218 F HA -0.265 4.262 4.527 -0.001 0.000 0.298 218 F C 2.351 178.037 175.800 -0.189 0.000 1.112 218 F CA 2.643 60.545 58.000 -0.164 0.000 1.212 218 F CB -0.168 38.630 39.000 -0.338 0.000 0.975 218 F HN 0.149 nan 8.300 nan 0.000 0.476 219 M N 0.207 119.899 119.600 0.154 0.000 2.319 219 M HA -0.134 4.346 4.480 -0.001 0.000 0.265 219 M C 2.089 178.467 176.300 0.129 0.000 1.068 219 M CA 1.294 56.633 55.300 0.065 0.000 1.118 219 M CB -1.201 31.339 32.600 -0.101 0.000 1.395 219 M HN 0.231 nan 8.290 nan 0.000 0.435 220 K N 1.147 121.600 120.400 0.087 0.000 2.025 220 K HA -0.102 4.218 4.320 -0.001 0.000 0.207 220 K C 1.820 178.443 176.600 0.038 0.000 1.049 220 K CA 1.218 57.547 56.287 0.070 0.000 0.933 220 K CB -0.046 32.489 32.500 0.057 0.000 0.714 220 K HN 0.228 nan 8.250 nan 0.000 0.438 221 I N 0.726 121.288 120.570 -0.012 0.000 2.252 221 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 221 I C 2.202 178.295 176.117 -0.040 0.000 1.102 221 I CA 0.716 61.985 61.300 -0.052 0.000 1.385 221 I CB -0.168 37.762 38.000 -0.116 0.000 1.064 221 I HN -0.022 nan 8.210 nan 0.000 0.414 222 V N 0.645 120.525 119.914 -0.056 0.000 2.332 222 V HA -0.321 3.798 4.120 -0.001 0.000 0.248 222 V C 2.529 178.759 176.094 0.226 0.000 1.055 222 V CA 2.585 64.928 62.300 0.072 0.000 1.038 222 V CB -1.007 30.873 31.823 0.095 0.000 0.651 222 V HN 0.484 nan 8.190 nan 0.000 0.450 223 T N -0.526 114.128 114.554 0.166 0.000 2.674 223 T HA -0.207 4.143 4.350 -0.001 0.000 0.265 223 T C 1.965 176.712 174.700 0.079 0.000 1.039 223 T CA 2.146 64.289 62.100 0.071 0.000 1.150 223 T CB -0.488 68.395 68.868 0.025 0.000 0.864 223 T HN 0.561 nan 8.240 nan 0.000 0.427 224 T N 2.104 116.689 114.554 0.051 0.000 2.699 224 T HA -0.164 4.186 4.350 -0.001 0.000 0.268 224 T C 1.664 176.378 174.700 0.023 0.000 1.036 224 T CA 1.547 63.661 62.100 0.023 0.000 1.147 224 T CB -0.595 68.277 68.868 0.007 0.000 0.862 224 T HN 0.339 nan 8.240 nan 0.000 0.446 225 D N 0.316 120.746 120.400 0.050 0.000 2.123 225 D HA -0.038 4.601 4.640 -0.001 0.000 0.196 225 D C 1.707 177.957 176.300 -0.082 0.000 0.992 225 D CA 0.984 54.977 54.000 -0.012 0.000 0.833 225 D CB -0.406 40.387 40.800 -0.012 0.000 0.954 225 D HN 0.427 nan 8.370 nan 0.000 0.455 226 F N 0.205 120.093 119.950 -0.104 0.000 2.234 226 F HA 0.069 4.596 4.527 -0.000 0.000 0.296 226 F C 2.540 178.255 175.800 -0.142 0.000 1.089 226 F CA 0.444 58.356 58.000 -0.147 0.000 1.343 226 F CB -0.005 38.861 39.000 -0.223 0.000 1.040 226 F HN -0.192 nan 8.300 nan 0.000 0.498 227 R N 1.018 121.544 120.500 0.044 0.000 2.081 227 R HA -0.131 4.209 4.340 -0.001 0.000 0.235 227 R C 1.810 178.070 176.300 -0.067 0.000 1.131 227 R CA 1.454 57.540 56.100 -0.024 0.000 0.960 227 R CB -0.116 30.170 30.300 -0.023 0.000 0.856 227 R HN 0.162 nan 8.270 nan 0.000 0.436 228 K N -0.569 119.786 120.400 -0.075 0.000 2.486 228 K HA 0.002 4.322 4.320 -0.001 0.000 0.194 228 K C 1.419 177.931 176.600 -0.147 0.000 1.033 228 K CA 0.670 56.894 56.287 -0.104 0.000 1.004 228 K CB 0.284 32.727 32.500 -0.096 0.000 0.798 228 K HN 0.019 nan 8.250 nan 0.000 0.495 229 S N 0.270 115.874 115.700 -0.159 0.000 2.577 229 S HA 0.198 4.668 4.470 -0.001 0.000 0.219 229 S C 0.037 174.540 174.600 -0.163 0.000 0.962 229 S CA 0.097 58.178 58.200 -0.198 0.000 0.921 229 S CB 0.298 63.340 63.200 -0.263 0.000 0.789 229 S HN 0.415 nan 8.310 nan 0.000 0.497 230 G N 1.387 110.105 108.800 -0.136 0.000 2.368 230 G HA2 0.324 4.284 3.960 -0.001 0.000 0.303 230 G HA3 0.324 4.284 3.960 -0.001 0.000 0.303 230 G C -3.649 171.172 174.900 -0.131 0.000 1.590 230 G CA -0.994 44.034 45.100 -0.120 0.000 0.938 230 G HN 0.076 nan 8.290 nan 0.000 0.675 231 P HA 0.413 nan 4.420 nan 0.000 0.271 231 P C 0.034 177.169 177.300 -0.275 0.000 1.216 231 P CA 0.352 63.267 63.100 -0.308 0.000 0.771 231 P CB 0.072 31.586 31.700 -0.310 0.000 0.864 232 H N -1.371 117.681 119.070 -0.030 0.000 2.820 232 H HA -0.224 4.331 4.556 -0.000 0.000 0.295 232 H C 1.048 176.351 175.328 -0.043 0.000 1.187 232 H CA 0.430 56.460 56.048 -0.030 0.000 1.144 232 H CB -2.034 27.714 29.762 -0.023 0.000 1.354 232 H HN 0.458 nan 8.280 nan 0.000 0.395 233 c N 0.078 118.677 118.600 -0.001 0.000 2.544 233 c HA -0.100 4.469 4.570 -0.001 0.000 0.280 233 c C 2.891 176.934 174.090 -0.078 0.000 1.295 233 c CA 1.037 57.353 56.329 -0.022 0.000 1.702 233 c CB -0.933 41.574 42.510 -0.005 0.000 2.090 233 c HN 0.837 nan 8.230 nan 0.000 0.493 234 S N 0.488 116.148 115.700 -0.066 0.000 2.368 234 S HA -0.233 4.237 4.470 -0.001 0.000 0.225 234 S C 1.845 176.389 174.600 -0.094 0.000 1.030 234 S CA 1.672 59.788 58.200 -0.139 0.000 0.999 234 S CB -0.855 62.286 63.200 -0.098 0.000 0.844 234 S HN 0.808 nan 8.310 nan 0.000 0.459 235 E N 1.367 121.568 120.200 0.001 0.000 2.097 235 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 235 E C 2.003 178.615 176.600 0.019 0.000 1.000 235 E CA 1.506 57.946 56.400 0.067 0.000 0.804 235 E CB -0.282 29.485 29.700 0.112 0.000 0.740 235 E HN 0.561 nan 8.360 nan 0.000 0.454 236 S N 0.295 115.978 115.700 -0.028 0.000 2.356 236 S HA -0.120 4.350 4.470 -0.001 0.000 0.223 236 S C 1.977 176.479 174.600 -0.163 0.000 1.032 236 S CA 1.098 59.255 58.200 -0.073 0.000 1.005 236 S CB -0.179 62.985 63.200 -0.059 0.000 0.867 236 S HN 0.272 nan 8.310 nan 0.000 0.449 237 I N 0.572 120.979 120.570 -0.272 0.000 2.252 237 I HA -0.192 3.977 4.170 -0.001 0.000 0.245 237 I C 2.461 178.370 176.117 -0.346 0.000 1.102 237 I CA 1.271 62.304 61.300 -0.445 0.000 1.385 237 I CB -0.355 37.206 38.000 -0.732 0.000 1.064 237 I HN 0.287 nan 8.210 nan 0.000 0.414 238 H N 1.205 120.145 119.070 -0.217 0.000 2.319 238 H HA -0.199 4.357 4.556 -0.000 0.000 0.297 238 H C 2.317 177.646 175.328 0.001 0.000 1.097 238 H CA 1.871 57.914 56.048 -0.008 0.000 1.285 238 H CB -0.145 29.616 29.762 -0.001 0.000 1.368 238 H HN 0.142 nan 8.280 nan 0.000 0.495 239 R N 0.143 120.629 120.500 -0.024 0.000 2.115 239 R HA -0.113 4.226 4.340 -0.001 0.000 0.230 239 R C 2.560 178.800 176.300 -0.101 0.000 1.111 239 R CA 1.283 57.339 56.100 -0.072 0.000 0.976 239 R CB -0.153 30.110 30.300 -0.062 0.000 0.870 239 R HN 0.484 nan 8.270 nan 0.000 0.445 240 S N -0.199 115.357 115.700 -0.239 0.000 2.387 240 S HA -0.207 4.263 4.470 -0.001 0.000 0.230 240 S C 1.684 176.159 174.600 -0.209 0.000 1.035 240 S CA 1.324 59.352 58.200 -0.287 0.000 1.014 240 S CB -0.817 62.131 63.200 -0.421 0.000 0.836 240 S HN 0.569 nan 8.310 nan 0.000 0.466 241 W N 2.140 123.507 121.300 0.111 0.000 2.333 241 W HA -0.019 4.640 4.660 -0.001 0.000 0.316 241 W C 2.419 178.989 176.519 0.084 0.000 1.215 241 W CA 0.618 58.034 57.345 0.119 0.000 1.278 241 W CB -0.707 28.835 29.460 0.137 0.000 1.154 241 W HN 0.224 nan 8.180 nan 0.000 0.486 242 D N 0.243 120.788 120.400 0.243 0.000 2.149 242 D HA -0.164 4.476 4.640 -0.001 0.000 0.198 242 D C 2.191 178.545 176.300 0.090 0.000 0.990 242 D CA 1.866 55.946 54.000 0.134 0.000 0.839 242 D CB -0.751 40.093 40.800 0.074 0.000 0.948 242 D HN 0.165 nan 8.370 nan 0.000 0.460 243 A N 0.320 123.180 122.820 0.067 0.000 1.969 243 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 243 A C 2.322 179.955 177.584 0.082 0.000 1.169 243 A CA 0.641 52.706 52.037 0.046 0.000 0.635 243 A CB -0.485 18.530 19.000 0.025 0.000 0.810 243 A HN 0.177 nan 8.150 nan 0.000 0.445 244 I N 0.022 120.668 120.570 0.126 0.000 2.353 244 I HA -0.192 3.978 4.170 -0.001 0.000 0.248 244 I C 2.027 178.234 176.117 0.149 0.000 1.119 244 I CA 0.760 62.157 61.300 0.163 0.000 1.417 244 I CB -0.279 37.849 38.000 0.213 0.000 1.078 244 I HN 0.252 nan 8.210 nan 0.000 0.421 245 N N 0.747 119.534 118.700 0.146 0.000 2.084 245 N HA -0.185 4.555 4.740 -0.001 0.000 0.190 245 N C 1.927 177.484 175.510 0.079 0.000 1.030 245 N CA 1.147 54.268 53.050 0.118 0.000 0.849 245 N CB -0.345 38.213 38.487 0.118 0.000 1.012 245 N HN 0.180 nan 8.380 nan 0.000 0.423 246 R N 0.837 121.372 120.500 0.059 0.000 2.088 246 R HA 0.036 4.376 4.340 -0.001 0.000 0.232 246 R C 2.219 178.534 176.300 0.025 0.000 1.136 246 R CA 1.073 57.190 56.100 0.028 0.000 0.926 246 R CB -0.777 29.525 30.300 0.003 0.000 0.837 246 R HN 0.145 nan 8.270 nan 0.000 0.429 247 L N 0.535 121.777 121.223 0.032 0.000 2.189 247 L HA -0.202 4.137 4.340 -0.001 0.000 0.214 247 L C 2.309 179.223 176.870 0.073 0.000 1.097 247 L CA 1.685 56.551 54.840 0.045 0.000 0.764 247 L CB -0.498 41.614 42.059 0.089 0.000 0.900 247 L HN 0.379 nan 8.230 nan 0.000 0.436 248 S N -1.114 114.634 115.700 0.081 0.000 2.507 248 S HA -0.133 4.337 4.470 -0.001 0.000 0.235 248 S C 1.529 176.163 174.600 0.056 0.000 0.988 248 S CA 1.169 59.416 58.200 0.078 0.000 0.944 248 S CB -0.636 62.618 63.200 0.089 0.000 0.762 248 S HN 0.550 nan 8.310 nan 0.000 0.526 249 N N 1.328 120.054 118.700 0.043 0.000 2.142 249 N HA -0.011 4.729 4.740 -0.001 0.000 0.186 249 N C 0.687 176.212 175.510 0.024 0.000 1.023 249 N CA 1.319 54.387 53.050 0.030 0.000 0.852 249 N CB -0.055 38.445 38.487 0.020 0.000 0.998 249 N HN 0.669 nan 8.380 nan 0.000 0.424 250 T N -3.514 111.054 114.554 0.024 0.000 2.940 250 T HA 0.467 4.817 4.350 -0.001 0.000 0.288 250 T C 1.224 175.943 174.700 0.031 0.000 1.033 250 T CA -0.825 61.287 62.100 0.021 0.000 1.033 250 T CB 1.880 70.754 68.868 0.010 0.000 1.079 250 T HN 0.047 nan 8.240 nan 0.000 0.496 251 G N 0.669 109.485 108.800 0.027 0.000 2.443 251 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.219 251 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.219 251 G C 1.620 176.544 174.900 0.041 0.000 1.131 251 G CA 0.896 46.014 45.100 0.030 0.000 0.775 251 G HN 0.926 nan 8.290 nan 0.000 0.547 252 S N 0.482 116.206 115.700 0.040 0.000 2.371 252 S HA 0.064 4.534 4.470 -0.001 0.000 0.224 252 S C 2.470 177.128 174.600 0.097 0.000 1.029 252 S CA 1.279 59.512 58.200 0.055 0.000 0.978 252 S CB -0.715 62.505 63.200 0.033 0.000 0.833 252 S HN 0.358 nan 8.310 nan 0.000 0.466 253 G N 1.654 110.500 108.800 0.077 0.000 2.408 253 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.217 253 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.217 253 G C 1.345 176.350 174.900 0.175 0.000 1.150 253 G CA 0.676 45.840 45.100 0.108 0.000 0.776 253 G HN 0.386 nan 8.290 nan 0.000 0.542 254 L N 0.335 121.627 121.223 0.115 0.000 2.093 254 L HA 0.008 4.347 4.340 -0.001 0.000 0.208 254 L C 2.816 179.739 176.870 0.088 0.000 1.085 254 L CA 1.698 56.596 54.840 0.096 0.000 0.755 254 L CB -0.777 41.318 42.059 0.059 0.000 0.904 254 L HN 0.336 nan 8.230 nan 0.000 0.435 255 Q N -2.237 117.617 119.800 0.090 0.000 2.083 255 Q HA -0.253 4.086 4.340 -0.001 0.000 0.198 255 Q C 2.208 178.250 176.000 0.069 0.000 0.969 255 Q CA 1.693 57.530 55.803 0.057 0.000 0.838 255 Q CB -0.330 28.441 28.738 0.054 0.000 0.900 255 Q HN 0.546 nan 8.270 nan 0.000 0.436 256 W N 0.913 122.195 121.300 -0.030 0.000 2.335 256 W HA -0.216 4.444 4.660 -0.000 0.000 0.311 256 W C 1.698 178.195 176.519 -0.037 0.000 1.213 256 W CA 1.403 58.727 57.345 -0.035 0.000 1.274 256 W CB -0.383 29.065 29.460 -0.020 0.000 1.148 256 W HN 0.142 nan 8.180 nan 0.000 0.498 257 L N 0.002 121.384 121.223 0.265 0.000 2.012 257 L HA -0.305 4.034 4.340 -0.001 0.000 0.210 257 L C 2.415 179.226 176.870 -0.098 0.000 1.073 257 L CA 2.187 57.099 54.840 0.121 0.000 0.748 257 L CB -1.096 41.087 42.059 0.207 0.000 0.891 257 L HN 0.007 nan 8.230 nan 0.000 0.431 258 T N -0.892 113.615 114.554 -0.080 0.000 2.665 258 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 258 T C 1.621 176.182 174.700 -0.231 0.000 1.035 258 T CA 1.404 63.430 62.100 -0.122 0.000 1.151 258 T CB -0.653 68.164 68.868 -0.084 0.000 0.862 258 T HN 0.599 nan 8.240 nan 0.000 0.438 259 G N 0.905 109.505 108.800 -0.334 0.000 2.394 259 G HA2 0.070 4.030 3.960 -0.001 0.000 0.214 259 G HA3 0.070 4.030 3.960 -0.001 0.000 0.214 259 G C 1.882 176.380 174.900 -0.670 0.000 1.176 259 G CA 0.760 45.568 45.100 -0.487 0.000 0.786 259 G HN 0.575 nan 8.290 nan 0.000 0.533 260 A N 0.293 122.655 122.820 -0.763 0.000 1.908 260 A HA 0.032 4.352 4.320 -0.001 0.000 0.218 260 A C 2.135 179.459 177.584 -0.433 0.000 1.181 260 A CA 1.336 52.923 52.037 -0.751 0.000 0.627 260 A CB -0.318 17.987 19.000 -1.159 0.000 0.818 260 A HN 0.312 nan 8.150 nan 0.000 0.445 261 L N -1.440 119.634 121.223 -0.247 0.000 2.591 261 L HA 0.153 4.493 4.340 -0.001 0.000 0.228 261 L C 0.092 176.986 176.870 0.041 0.000 1.133 261 L CA 0.457 55.311 54.840 0.023 0.000 0.880 261 L CB -1.283 40.845 42.059 0.115 0.000 1.033 261 L HN 0.613 nan 8.230 nan 0.000 0.450 262 H N -1.762 117.077 119.070 -0.386 0.000 2.692 262 H HA -0.186 4.369 4.556 -0.000 0.000 0.316 262 H C 0.138 175.399 175.328 -0.111 0.000 1.176 262 H CA 0.269 56.157 56.048 -0.267 0.000 1.142 262 H CB -2.099 27.497 29.762 -0.278 0.000 1.475 262 H HN 0.168 nan 8.280 nan 0.000 0.423 263 L N -1.216 119.975 121.223 -0.053 0.000 2.453 263 L HA 0.056 4.396 4.340 -0.001 0.000 0.261 263 L C 1.450 178.270 176.870 -0.083 0.000 1.179 263 L CA -0.302 54.486 54.840 -0.087 0.000 0.813 263 L CB 0.771 42.748 42.059 -0.137 0.000 1.110 263 L HN 0.394 nan 8.230 nan 0.000 0.466 264 c N -0.780 117.763 118.600 -0.095 0.000 2.492 264 c HA 0.025 4.594 4.570 -0.001 0.000 0.279 264 c C 1.218 175.264 174.090 -0.073 0.000 1.335 264 c CA -0.052 56.234 56.329 -0.072 0.000 1.734 264 c CB -0.467 42.000 42.510 -0.071 0.000 2.027 264 c HN 0.796 nan 8.230 nan 0.000 0.496 265 S N 1.266 116.913 115.700 -0.088 0.000 2.537 265 S HA 0.526 4.996 4.470 -0.001 0.000 0.301 265 S C -2.725 171.833 174.600 -0.071 0.000 1.092 265 S CA -0.632 57.524 58.200 -0.072 0.000 1.048 265 S CB 1.126 64.284 63.200 -0.071 0.000 1.053 265 S HN 0.250 nan 8.310 nan 0.000 0.501 266 P HA 0.257 nan 4.420 nan 0.000 0.276 266 P C -0.890 176.390 177.300 -0.034 0.000 1.235 266 P CA -0.396 62.677 63.100 -0.045 0.000 0.772 266 P CB 0.383 32.062 31.700 -0.034 0.000 0.871 267 L N 2.872 124.079 121.223 -0.027 0.000 2.410 267 L HA 0.199 4.539 4.340 -0.001 0.000 0.273 267 L C 1.553 178.427 176.870 0.007 0.000 1.152 267 L CA 0.273 55.108 54.840 -0.008 0.000 0.855 267 L CB 0.393 42.457 42.059 0.008 0.000 1.129 267 L HN 0.538 nan 8.230 nan 0.000 0.463 268 T N -1.875 112.685 114.554 0.011 0.000 2.919 268 T HA 0.270 4.620 4.350 -0.001 0.000 0.282 268 T C 1.023 175.740 174.700 0.029 0.000 1.020 268 T CA -0.164 61.945 62.100 0.015 0.000 0.994 268 T CB 1.559 70.431 68.868 0.007 0.000 1.180 268 T HN 0.566 nan 8.240 nan 0.000 0.566 269 S N -0.152 115.565 115.700 0.029 0.000 2.461 269 S HA -0.067 4.402 4.470 -0.001 0.000 0.228 269 S C 1.664 176.289 174.600 0.042 0.000 1.005 269 S CA 0.285 58.508 58.200 0.039 0.000 0.942 269 S CB -0.560 62.661 63.200 0.035 0.000 0.776 269 S HN 0.721 nan 8.310 nan 0.000 0.514 270 Q N 1.214 121.033 119.800 0.031 0.000 2.435 270 Q HA 0.126 4.465 4.340 -0.001 0.000 0.207 270 Q C 0.911 176.935 176.000 0.041 0.000 0.956 270 Q CA 0.925 56.745 55.803 0.029 0.000 0.917 270 Q CB -0.113 28.632 28.738 0.012 0.000 0.997 270 Q HN 0.471 nan 8.270 nan 0.000 0.497 271 D N -0.450 119.980 120.400 0.050 0.000 2.327 271 D HA 0.002 4.642 4.640 -0.001 0.000 0.205 271 D C 1.456 177.819 176.300 0.105 0.000 0.989 271 D CA 0.202 54.247 54.000 0.075 0.000 0.873 271 D CB 0.200 41.027 40.800 0.046 0.000 0.955 271 D HN 0.130 nan 8.370 nan 0.000 0.515 272 I N 1.080 121.706 120.570 0.094 0.000 2.185 272 I HA -0.271 3.898 4.170 -0.001 0.000 0.246 272 I C 2.308 178.511 176.117 0.143 0.000 1.088 272 I CA 1.314 62.684 61.300 0.117 0.000 1.347 272 I CB -0.959 37.108 38.000 0.112 0.000 1.041 272 I HN 0.050 nan 8.210 nan 0.000 0.415 273 Q N 0.153 120.033 119.800 0.134 0.000 2.119 273 Q HA -0.229 4.111 4.340 -0.001 0.000 0.201 273 Q C 2.306 178.404 176.000 0.163 0.000 0.972 273 Q CA 1.667 57.554 55.803 0.140 0.000 0.847 273 Q CB -0.432 28.375 28.738 0.114 0.000 0.903 273 Q HN 0.579 nan 8.270 nan 0.000 0.433 274 H N -0.526 118.580 119.070 0.061 0.000 2.353 274 H HA -0.092 4.464 4.556 -0.001 0.000 0.300 274 H C 1.663 177.054 175.328 0.106 0.000 1.090 274 H CA 1.657 57.739 56.048 0.057 0.000 1.327 274 H CB -0.305 29.464 29.762 0.012 0.000 1.383 274 H HN 0.319 nan 8.280 nan 0.000 0.508 275 L N 0.949 122.189 121.223 0.028 0.000 1.970 275 L HA -0.152 4.188 4.340 -0.001 0.000 0.212 275 L C 2.091 179.095 176.870 0.223 0.000 1.071 275 L CA 1.991 56.862 54.840 0.052 0.000 0.751 275 L CB -0.579 41.533 42.059 0.088 0.000 0.889 275 L HN 0.155 nan 8.230 nan 0.000 0.432 276 K N -0.479 120.077 120.400 0.259 0.000 2.103 276 K HA -0.197 4.123 4.320 -0.001 0.000 0.207 276 K C 1.827 178.584 176.600 0.262 0.000 1.048 276 K CA 1.623 58.148 56.287 0.396 0.000 0.930 276 K CB -0.414 32.306 32.500 0.366 0.000 0.716 276 K HN 0.430 nan 8.250 nan 0.000 0.444 277 D N 0.014 120.487 120.400 0.122 0.000 2.097 277 D HA -0.183 4.456 4.640 -0.001 0.000 0.195 277 D C 1.498 177.832 176.300 0.057 0.000 0.989 277 D CA 0.878 54.903 54.000 0.042 0.000 0.827 277 D CB -0.287 40.545 40.800 0.054 0.000 0.966 277 D HN 0.335 nan 8.370 nan 0.000 0.456 278 W N 1.329 122.521 121.300 -0.179 0.000 2.388 278 W HA -0.060 4.600 4.660 -0.000 0.000 0.294 278 W C 1.985 178.408 176.519 -0.161 0.000 1.212 278 W CA 0.988 58.218 57.345 -0.192 0.000 1.271 278 W CB -0.304 28.972 29.460 -0.307 0.000 1.126 278 W HN -0.121 nan 8.180 nan 0.000 0.535 279 I N -0.102 120.421 120.570 -0.078 0.000 2.252 279 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 279 I C 2.763 178.511 176.117 -0.615 0.000 1.102 279 I CA 1.623 62.636 61.300 -0.478 0.000 1.385 279 I CB -0.952 36.990 38.000 -0.097 0.000 1.064 279 I HN -0.022 nan 8.210 nan 0.000 0.414 280 S N 0.553 116.224 115.700 -0.049 0.000 2.368 280 S HA -0.240 4.229 4.470 -0.001 0.000 0.225 280 S C 1.924 176.451 174.600 -0.121 0.000 1.030 280 S CA 1.700 59.968 58.200 0.114 0.000 0.999 280 S CB -0.193 63.065 63.200 0.096 0.000 0.844 280 S HN 0.386 nan 8.310 nan 0.000 0.459 281 E N -0.153 119.924 120.200 -0.205 0.000 2.160 281 E HA -0.096 4.254 4.350 -0.001 0.000 0.195 281 E C 2.076 178.473 176.600 -0.338 0.000 0.991 281 E CA 1.696 57.968 56.400 -0.212 0.000 0.810 281 E CB -0.163 29.453 29.700 -0.140 0.000 0.742 281 E HN 0.548 nan 8.360 nan 0.000 0.466 282 T N -0.481 113.718 114.554 -0.592 0.000 2.701 282 T HA -0.161 4.189 4.350 -0.001 0.000 0.263 282 T C 1.353 175.783 174.700 -0.450 0.000 1.040 282 T CA 1.380 62.992 62.100 -0.813 0.000 1.147 282 T CB -0.541 67.685 68.868 -1.069 0.000 0.865 282 T HN 0.408 nan 8.240 nan 0.000 0.426 283 W N 1.089 122.299 121.300 -0.151 0.000 2.342 283 W HA -0.113 4.546 4.660 -0.001 0.000 0.297 283 W C 2.402 178.958 176.519 0.062 0.000 1.213 283 W CA -0.304 57.026 57.345 -0.026 0.000 1.251 283 W CB -0.940 28.373 29.460 -0.245 0.000 1.136 283 W HN 0.021 nan 8.180 nan 0.000 0.526 284 V N 1.238 121.246 119.914 0.156 0.000 2.237 284 V HA -0.353 3.766 4.120 -0.001 0.000 0.245 284 V C 2.218 178.299 176.094 -0.022 0.000 1.046 284 V CA 2.157 64.487 62.300 0.051 0.000 1.007 284 V CB -1.049 30.766 31.823 -0.013 0.000 0.638 284 V HN 0.192 nan 8.190 nan 0.000 0.445 285 N N 0.200 118.830 118.700 -0.117 0.000 2.037 285 N HA -0.184 4.555 4.740 -0.001 0.000 0.196 285 N C 1.806 177.262 175.510 -0.090 0.000 1.034 285 N CA 1.720 54.687 53.050 -0.139 0.000 0.861 285 N CB -0.626 37.680 38.487 -0.301 0.000 1.039 285 N HN 0.380 nan 8.380 nan 0.000 0.427 286 L N 0.754 121.920 121.223 -0.096 0.000 2.043 286 L HA -0.221 4.119 4.340 -0.001 0.000 0.212 286 L C 2.386 179.249 176.870 -0.011 0.000 1.075 286 L CA 1.503 56.349 54.840 0.009 0.000 0.752 286 L CB -0.516 41.628 42.059 0.142 0.000 0.891 286 L HN 0.155 nan 8.230 nan 0.000 0.432 287 A N -0.586 122.263 122.820 0.047 0.000 1.972 287 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 287 A C 2.254 179.783 177.584 -0.091 0.000 1.169 287 A CA 1.768 53.795 52.037 -0.016 0.000 0.635 287 A CB -0.427 18.578 19.000 0.008 0.000 0.810 287 A HN 0.415 nan 8.150 nan 0.000 0.446 288 M N -0.947 118.585 119.600 -0.113 0.000 2.388 288 M HA -0.005 4.475 4.480 -0.001 0.000 0.265 288 M C 0.792 176.956 176.300 -0.227 0.000 1.088 288 M CA 0.836 56.067 55.300 -0.115 0.000 1.134 288 M CB 0.203 32.736 32.600 -0.111 0.000 1.384 288 M HN 0.132 nan 8.290 nan 0.000 0.447 289 V N -0.397 119.348 119.914 -0.282 0.000 3.170 289 V HA 0.045 4.165 4.120 -0.001 0.000 0.354 289 V C -0.259 175.553 176.094 -0.470 0.000 1.350 289 V CA 0.043 62.017 62.300 -0.543 0.000 1.244 289 V CB -0.709 30.963 31.823 -0.252 0.000 1.222 289 V HN 0.178 nan 8.190 nan 0.000 0.478 290 D N 1.215 121.453 120.400 -0.270 0.000 2.608 290 D HA 0.089 4.729 4.640 -0.001 0.000 0.224 290 D C -0.300 175.962 176.300 -0.064 0.000 1.123 290 D CA -0.029 53.916 54.000 -0.091 0.000 1.030 290 D CB -0.170 40.647 40.800 0.028 0.000 1.093 290 D HN 0.217 nan 8.370 nan 0.000 0.497 291 Y N 1.276 121.354 120.300 -0.370 0.000 2.307 291 Y HA 0.262 4.812 4.550 -0.000 0.000 0.324 291 Y C -1.250 173.888 175.900 -1.269 0.000 1.238 291 Y CA -2.995 54.680 58.100 -0.708 0.000 1.280 291 Y CB 0.800 38.850 38.460 -0.684 0.000 1.248 291 Y HN 0.234 nan 8.280 nan 0.000 0.508 292 P HA -0.026 nan 4.420 nan 0.000 0.242 292 P C -1.362 175.515 177.300 -0.706 0.000 1.197 292 P CA 1.182 63.417 63.100 -1.441 0.000 0.765 292 P CB -0.087 31.287 31.700 -0.544 0.000 0.936 293 Y N -3.996 116.051 120.300 -0.421 0.000 2.625 293 Y HA 0.762 5.312 4.550 -0.000 0.000 0.338 293 Y C -0.314 175.499 175.900 -0.145 0.000 1.123 293 Y CA -2.806 55.160 58.100 -0.224 0.000 1.046 293 Y CB 0.228 38.597 38.460 -0.153 0.000 1.299 293 Y HN -0.254 nan 8.280 nan 0.000 0.464 294 A N 1.542 124.416 122.820 0.091 0.000 2.483 294 A HA 0.592 4.912 4.320 -0.001 0.000 0.238 294 A C 0.072 177.694 177.584 0.064 0.000 1.070 294 A CA 0.544 52.589 52.037 0.014 0.000 0.770 294 A CB -0.542 18.472 19.000 0.022 0.000 1.008 294 A HN 1.355 nan 8.150 nan 0.000 0.497 295 S N 0.545 116.213 115.700 -0.053 0.000 2.570 295 S HA 0.593 5.062 4.470 -0.001 0.000 0.270 295 S C -0.870 173.585 174.600 -0.242 0.000 1.149 295 S CA -0.864 57.232 58.200 -0.174 0.000 0.837 295 S CB 1.631 64.759 63.200 -0.119 0.000 1.124 295 S HN 0.675 nan 8.310 nan 0.000 0.465 296 N N 0.332 118.792 118.700 -0.400 0.000 2.679 296 N HA 0.409 5.149 4.740 -0.001 0.000 0.302 296 N C -0.664 174.733 175.510 -0.189 0.000 1.941 296 N CA -0.705 52.212 53.050 -0.222 0.000 0.875 296 N CB -0.477 37.940 38.487 -0.116 0.000 1.278 296 N HN 0.625 nan 8.380 nan 0.000 0.490 297 F N -0.119 119.911 119.950 0.134 0.000 2.016 297 F HA 0.047 4.573 4.527 -0.001 0.000 0.290 297 F C 1.664 177.591 175.800 0.211 0.000 1.166 297 F CA 0.732 58.896 58.000 0.274 0.000 1.156 297 F CB 0.139 39.305 39.000 0.277 0.000 0.995 297 F HN 0.121 nan 8.300 nan 0.000 0.477 298 L N -1.485 119.909 121.223 0.286 0.000 2.357 298 L HA 0.147 4.487 4.340 -0.001 0.000 0.211 298 L C -0.170 176.691 176.870 -0.014 0.000 1.075 298 L CA 0.808 55.709 54.840 0.101 0.000 0.830 298 L CB -0.024 42.094 42.059 0.097 0.000 0.996 298 L HN 0.122 nan 8.230 nan 0.000 0.467 299 Q N -1.340 118.401 119.800 -0.097 0.000 2.345 299 Q HA 0.402 4.742 4.340 -0.001 0.000 0.275 299 Q C -2.616 173.286 176.000 -0.164 0.000 1.063 299 Q CA -1.983 53.688 55.803 -0.220 0.000 0.819 299 Q CB 2.488 30.855 28.738 -0.618 0.000 1.356 299 Q HN -0.265 nan 8.270 nan 0.000 0.418 300 P HA 0.117 nan 4.420 nan 0.000 0.266 300 P C -1.290 175.950 177.300 -0.098 0.000 1.215 300 P CA 0.009 63.091 63.100 -0.029 0.000 0.763 300 P CB 0.403 32.152 31.700 0.081 0.000 0.806 301 L N 6.635 127.724 121.223 -0.224 0.000 2.409 301 L HA 0.630 4.970 4.340 -0.001 0.000 0.262 301 L C -2.269 174.261 176.870 -0.567 0.000 0.992 301 L CA -2.146 52.416 54.840 -0.465 0.000 0.817 301 L CB 2.319 44.222 42.059 -0.260 0.000 1.350 301 L HN 0.220 nan 8.230 nan 0.000 0.411 302 P HA 0.337 nan 4.420 nan 0.000 0.302 302 P C -1.251 175.921 177.300 -0.214 0.000 1.307 302 P CA -0.599 62.244 63.100 -0.428 0.000 0.754 302 P CB 0.591 32.064 31.700 -0.378 0.000 1.298 303 A N -1.484 121.270 122.820 -0.110 0.000 2.388 303 A HA 0.347 4.667 4.320 -0.001 0.000 0.257 303 A C -0.653 176.896 177.584 -0.057 0.000 1.095 303 A CA -0.453 51.486 52.037 -0.162 0.000 0.791 303 A CB -1.250 17.693 19.000 -0.094 0.000 1.029 303 A HN 0.609 nan 8.150 nan 0.000 0.489 304 W N 0.920 122.181 121.300 -0.064 0.000 6.357 304 W HA -0.166 4.494 4.660 -0.001 0.000 0.428 304 W C -1.668 174.782 176.519 -0.115 0.000 1.724 304 W CA 0.055 57.349 57.345 -0.086 0.000 1.048 304 W CB -1.375 28.041 29.460 -0.074 0.000 2.943 304 W HN 0.751 nan 8.180 nan 0.000 1.407 305 P HA -0.219 nan 4.420 nan 0.000 0.219 305 P C 1.405 178.683 177.300 -0.036 0.000 1.146 305 P CA 1.709 64.789 63.100 -0.033 0.000 0.808 305 P CB 0.163 31.823 31.700 -0.068 0.000 0.779 306 I N 0.045 120.553 120.570 -0.104 0.000 2.179 306 I HA -0.224 3.946 4.170 -0.001 0.000 0.242 306 I C 2.579 178.574 176.117 -0.204 0.000 1.088 306 I CA 1.570 62.683 61.300 -0.312 0.000 1.357 306 I CB -0.645 36.971 38.000 -0.639 0.000 1.051 306 I HN -0.099 nan 8.210 nan 0.000 0.409 307 K N 0.479 120.817 120.400 -0.103 0.000 2.074 307 K HA -0.180 4.140 4.320 -0.001 0.000 0.209 307 K C 2.047 178.617 176.600 -0.050 0.000 1.048 307 K CA 1.560 57.798 56.287 -0.083 0.000 0.926 307 K CB -0.248 32.222 32.500 -0.050 0.000 0.713 307 K HN 0.178 nan 8.250 nan 0.000 0.444 308 V N 1.089 121.000 119.914 -0.005 0.000 2.358 308 V HA -0.216 3.904 4.120 -0.001 0.000 0.246 308 V C 2.334 178.457 176.094 0.049 0.000 1.047 308 V CA 1.866 64.175 62.300 0.014 0.000 1.035 308 V CB -0.548 31.305 31.823 0.051 0.000 0.658 308 V HN 0.276 nan 8.190 nan 0.000 0.452 309 V N -2.539 117.424 119.914 0.082 0.000 2.453 309 V HA -0.179 3.940 4.120 -0.001 0.000 0.247 309 V C 2.149 178.319 176.094 0.127 0.000 1.048 309 V CA 1.895 64.307 62.300 0.187 0.000 1.049 309 V CB -1.414 30.529 31.823 0.200 0.000 0.672 309 V HN 0.530 nan 8.190 nan 0.000 0.457 310 c N 0.215 118.818 118.600 0.004 0.000 2.466 310 c HA 0.007 4.576 4.570 -0.001 0.000 0.283 310 c C 2.594 176.665 174.090 -0.031 0.000 1.472 310 c CA 1.320 57.635 56.329 -0.024 0.000 1.765 310 c CB -1.324 41.136 42.510 -0.082 0.000 1.724 310 c HN 0.708 nan 8.230 nan 0.000 0.560 311 Q N -0.464 119.294 119.800 -0.070 0.000 2.163 311 Q HA -0.021 4.319 4.340 -0.001 0.000 0.198 311 Q C 1.623 177.540 176.000 -0.138 0.000 0.954 311 Q CA 1.606 57.318 55.803 -0.152 0.000 0.851 311 Q CB -0.306 28.268 28.738 -0.273 0.000 0.928 311 Q HN 0.719 nan 8.270 nan 0.000 0.459 312 Y N -0.743 119.568 120.300 0.018 0.000 2.352 312 Y HA -0.139 4.410 4.550 -0.000 0.000 0.292 312 Y C 1.270 177.186 175.900 0.026 0.000 1.136 312 Y CA 0.404 58.522 58.100 0.031 0.000 1.227 312 Y CB 0.104 38.588 38.460 0.040 0.000 0.991 312 Y HN 0.110 nan 8.280 nan 0.000 0.545 313 L N 0.051 121.358 121.223 0.141 0.000 2.242 313 L HA -0.007 4.333 4.340 -0.001 0.000 0.202 313 L C 2.108 179.018 176.870 0.067 0.000 1.217 313 L CA 1.630 56.517 54.840 0.077 0.000 1.714 313 L CB -1.616 40.453 42.059 0.017 0.000 1.482 313 L HN 0.279 nan 8.230 nan 0.000 0.853 314 K N -0.307 120.130 120.400 0.061 0.000 6.037 314 K HA -0.344 3.976 4.320 -0.001 0.000 0.421 314 K C 0.564 177.250 176.600 0.143 0.000 0.497 314 K CA 2.031 58.373 56.287 0.091 0.000 1.749 314 K CB -1.564 30.958 32.500 0.037 0.000 1.119 314 K HN 0.373 nan 8.250 nan 0.000 0.698 315 N N 2.336 121.080 118.700 0.073 0.000 2.401 315 N HA 0.182 4.921 4.740 -0.001 0.000 0.255 315 N C -1.504 173.980 175.510 -0.044 0.000 1.110 315 N CA -2.031 51.035 53.050 0.027 0.000 0.949 315 N CB 1.327 39.830 38.487 0.027 0.000 1.110 315 N HN 0.211 nan 8.380 nan 0.000 0.490 316 P HA -0.030 nan 4.420 nan 0.000 0.217 316 P C -0.379 176.834 177.300 -0.145 0.000 1.154 316 P CA 0.733 63.672 63.100 -0.269 0.000 0.841 316 P CB 0.196 31.517 31.700 -0.632 0.000 0.788 317 N N 0.956 119.585 118.700 -0.117 0.000 2.814 317 N HA 0.135 4.874 4.740 -0.001 0.000 0.304 317 N C -0.360 175.128 175.510 -0.036 0.000 1.211 317 N CA 0.360 53.370 53.050 -0.068 0.000 1.158 317 N CB -0.330 38.124 38.487 -0.055 0.000 1.458 317 N HN 0.045 nan 8.380 nan 0.000 0.519 318 V N 0.026 119.921 119.914 -0.032 0.000 3.007 318 V HA 0.395 4.515 4.120 -0.001 0.000 0.311 318 V C -0.064 176.025 176.094 -0.009 0.000 1.120 318 V CA -0.841 61.455 62.300 -0.008 0.000 0.980 318 V CB 2.370 34.196 31.823 0.006 0.000 1.033 318 V HN 0.510 nan 8.190 nan 0.000 0.429 319 S N 1.802 117.503 115.700 0.003 0.000 2.652 319 S HA 0.276 4.745 4.470 -0.001 0.000 0.270 319 S C 0.559 175.157 174.600 -0.004 0.000 1.243 319 S CA -0.251 57.943 58.200 -0.010 0.000 0.999 319 S CB 1.218 64.409 63.200 -0.014 0.000 0.973 319 S HN 0.700 nan 8.310 nan 0.000 0.544 320 D N 1.295 121.678 120.400 -0.029 0.000 2.144 320 D HA -0.078 4.561 4.640 -0.001 0.000 0.199 320 D C 2.064 178.365 176.300 0.002 0.000 0.984 320 D CA 1.683 55.669 54.000 -0.023 0.000 0.834 320 D CB -0.582 40.186 40.800 -0.053 0.000 0.955 320 D HN 0.564 nan 8.370 nan 0.000 0.465 321 S N -0.324 115.337 115.700 -0.065 0.000 2.356 321 S HA -0.141 4.329 4.470 -0.001 0.000 0.223 321 S C 1.821 176.576 174.600 0.258 0.000 1.032 321 S CA 0.638 58.818 58.200 -0.034 0.000 1.005 321 S CB -0.282 62.810 63.200 -0.180 0.000 0.867 321 S HN 0.130 nan 8.310 nan 0.000 0.449 322 L N 1.235 122.547 121.223 0.148 0.000 2.093 322 L HA 0.162 4.502 4.340 -0.001 0.000 0.208 322 L C 2.204 179.164 176.870 0.151 0.000 1.085 322 L CA 1.453 56.386 54.840 0.155 0.000 0.755 322 L CB -1.016 41.101 42.059 0.097 0.000 0.904 322 L HN 0.457 nan 8.230 nan 0.000 0.435 323 L N -0.741 120.549 121.223 0.113 0.000 2.012 323 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 323 L C 2.200 179.149 176.870 0.131 0.000 1.073 323 L CA 1.905 56.799 54.840 0.090 0.000 0.748 323 L CB -0.542 41.542 42.059 0.042 0.000 0.891 323 L HN 0.263 nan 8.230 nan 0.000 0.431 324 L N -1.338 120.005 121.223 0.200 0.000 2.376 324 L HA -0.136 4.204 4.340 -0.001 0.000 0.219 324 L C 2.442 179.457 176.870 0.242 0.000 1.133 324 L CA 0.686 55.671 54.840 0.241 0.000 0.816 324 L CB -0.526 41.737 42.059 0.339 0.000 0.933 324 L HN 0.430 nan 8.230 nan 0.000 0.449 325 Q N -0.193 119.751 119.800 0.240 0.000 2.137 325 Q HA -0.106 4.234 4.340 -0.001 0.000 0.198 325 Q C 1.930 178.062 176.000 0.221 0.000 0.960 325 Q CA 1.003 56.934 55.803 0.213 0.000 0.847 325 Q CB 0.099 28.951 28.738 0.191 0.000 0.915 325 Q HN 0.465 nan 8.270 nan 0.000 0.448 326 N N 0.578 119.384 118.700 0.177 0.000 2.142 326 N HA -0.112 4.628 4.740 -0.001 0.000 0.186 326 N C 1.643 177.228 175.510 0.125 0.000 1.023 326 N CA 0.919 54.058 53.050 0.148 0.000 0.852 326 N CB -0.126 38.447 38.487 0.142 0.000 0.998 326 N HN 0.171 nan 8.380 nan 0.000 0.424 327 I N 0.658 121.323 120.570 0.158 0.000 2.208 327 I HA -0.250 3.920 4.170 -0.001 0.000 0.245 327 I C 2.127 178.375 176.117 0.219 0.000 1.097 327 I CA 0.909 62.332 61.300 0.205 0.000 1.363 327 I CB -1.108 37.010 38.000 0.197 0.000 1.051 327 I HN 0.037 nan 8.210 nan 0.000 0.413 328 F N 2.271 122.272 119.950 0.085 0.000 2.069 328 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 328 F C 2.643 178.418 175.800 -0.041 0.000 1.113 328 F CA 1.690 59.719 58.000 0.050 0.000 1.214 328 F CB -0.475 38.542 39.000 0.029 0.000 0.978 328 F HN 0.051 nan 8.300 nan 0.000 0.474 329 Q N 0.808 120.362 119.800 -0.411 0.000 2.112 329 Q HA -0.227 4.113 4.340 -0.001 0.000 0.206 329 Q C 2.500 178.063 176.000 -0.727 0.000 0.987 329 Q CA 1.816 57.120 55.803 -0.832 0.000 0.858 329 Q CB -1.212 26.898 28.738 -1.046 0.000 0.905 329 Q HN 0.598 nan 8.270 nan 0.000 0.420 330 A N 0.385 123.050 122.820 -0.259 0.000 1.873 330 A HA -0.148 4.171 4.320 -0.001 0.000 0.215 330 A C 2.060 179.708 177.584 0.106 0.000 1.186 330 A CA 1.149 53.234 52.037 0.081 0.000 0.616 330 A CB -0.516 18.641 19.000 0.261 0.000 0.823 330 A HN 0.286 nan 8.150 nan 0.000 0.442 331 L N 0.988 122.238 121.223 0.044 0.000 2.131 331 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 331 L C 2.261 179.140 176.870 0.016 0.000 1.092 331 L CA 1.847 56.708 54.840 0.036 0.000 0.759 331 L CB -1.455 40.635 42.059 0.052 0.000 0.903 331 L HN 0.640 nan 8.230 nan 0.000 0.435 332 N N -0.255 118.249 118.700 -0.327 0.000 2.166 332 N HA -0.165 4.575 4.740 -0.001 0.000 0.186 332 N C 2.065 177.532 175.510 -0.072 0.000 1.019 332 N CA 1.639 54.481 53.050 -0.346 0.000 0.856 332 N CB 0.274 38.270 38.487 -0.819 0.000 0.993 332 N HN 0.291 nan 8.380 nan 0.000 0.426 333 V N 0.200 120.107 119.914 -0.011 0.000 2.343 333 V HA -0.204 3.915 4.120 -0.001 0.000 0.247 333 V C 2.075 178.225 176.094 0.093 0.000 1.051 333 V CA 1.586 63.969 62.300 0.137 0.000 1.036 333 V CB -1.047 30.912 31.823 0.226 0.000 0.654 333 V HN 0.382 nan 8.190 nan 0.000 0.451 334 Y N 0.255 120.496 120.300 -0.098 0.000 2.184 334 Y HA -0.130 4.420 4.550 -0.001 0.000 0.290 334 Y C 2.223 177.938 175.900 -0.309 0.000 1.129 334 Y CA 2.309 60.245 58.100 -0.273 0.000 1.144 334 Y CB -0.350 37.826 38.460 -0.473 0.000 0.995 334 Y HN 0.390 nan 8.280 nan 0.000 0.513 335 Y N -1.174 119.163 120.300 0.062 0.000 2.517 335 Y HA 0.069 4.619 4.550 -0.000 0.000 0.281 335 Y C 1.333 177.241 175.900 0.014 0.000 1.125 335 Y CA 0.892 59.007 58.100 0.024 0.000 1.283 335 Y CB -0.023 38.532 38.460 0.159 0.000 1.042 335 Y HN 0.147 nan 8.280 nan 0.000 0.547 336 N N -1.744 117.035 118.700 0.132 0.000 2.390 336 N HA -0.034 4.706 4.740 -0.001 0.000 0.259 336 N C 0.702 176.262 175.510 0.084 0.000 1.395 336 N CA -0.235 52.874 53.050 0.097 0.000 0.852 336 N CB -0.527 38.011 38.487 0.085 0.000 1.371 336 N HN 0.203 nan 8.380 nan 0.000 0.491 337 Y N 0.937 121.219 120.300 -0.030 0.000 2.283 337 Y HA -0.190 4.360 4.550 -0.001 0.000 0.285 337 Y C 0.923 176.817 175.900 -0.009 0.000 1.176 337 Y CA 1.904 59.992 58.100 -0.020 0.000 1.229 337 Y CB 0.301 38.740 38.460 -0.035 0.000 0.975 337 Y HN 0.204 nan 8.280 nan 0.000 0.537 338 S N -1.395 114.295 115.700 -0.017 0.000 2.668 338 S HA 0.417 4.887 4.470 -0.001 0.000 0.244 338 S C 0.878 175.456 174.600 -0.038 0.000 1.140 338 S CA -0.176 57.975 58.200 -0.081 0.000 1.134 338 S CB 0.170 63.362 63.200 -0.014 0.000 0.954 338 S HN 0.719 nan 8.310 nan 0.000 0.490 339 G N 2.234 111.017 108.800 -0.029 0.000 2.233 339 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.270 339 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.270 339 G C 0.790 175.702 174.900 0.020 0.000 1.011 339 G CA 0.883 45.982 45.100 -0.002 0.000 0.762 339 G HN 0.696 nan 8.290 nan 0.000 0.511 340 Q N -0.940 118.879 119.800 0.031 0.000 2.152 340 Q HA 0.061 4.401 4.340 -0.001 0.000 0.206 340 Q C 1.462 177.493 176.000 0.053 0.000 0.985 340 Q CA 1.720 57.548 55.803 0.042 0.000 0.863 340 Q CB -0.429 28.339 28.738 0.050 0.000 0.904 340 Q HN 1.263 nan 8.270 nan 0.000 0.422 341 V N -3.180 116.776 119.914 0.069 0.000 2.914 341 V HA 0.345 4.465 4.120 -0.001 0.000 0.314 341 V C 0.255 176.394 176.094 0.075 0.000 1.084 341 V CA -1.090 61.255 62.300 0.075 0.000 0.963 341 V CB 2.203 34.086 31.823 0.099 0.000 1.025 341 V HN -0.066 nan 8.190 nan 0.000 0.432 342 K N 0.559 120.998 120.400 0.065 0.000 2.211 342 K HA 0.282 4.602 4.320 -0.001 0.000 0.201 342 K C 0.420 177.072 176.600 0.088 0.000 1.052 342 K CA 1.474 57.801 56.287 0.066 0.000 0.973 342 K CB 0.283 32.809 32.500 0.043 0.000 0.766 342 K HN 1.028 nan 8.250 nan 0.000 0.466 343 c N -1.796 116.852 118.600 0.081 0.000 3.173 343 c HA 0.537 5.107 4.570 -0.001 0.000 0.310 343 c C -0.846 173.287 174.090 0.072 0.000 1.306 343 c CA -1.724 54.657 56.329 0.087 0.000 1.426 343 c CB 0.355 42.886 42.510 0.035 0.000 1.800 343 c HN 0.015 nan 8.230 nan 0.000 0.470 344 L N 2.781 124.048 121.223 0.072 0.000 2.261 344 L HA 0.371 4.711 4.340 -0.001 0.000 0.289 344 L C -0.044 176.713 176.870 -0.187 0.000 1.059 344 L CA 0.038 54.882 54.840 0.006 0.000 0.816 344 L CB 0.265 42.415 42.059 0.151 0.000 1.191 344 L HN 0.732 nan 8.230 nan 0.000 0.431 345 N N 3.738 122.326 118.700 -0.188 0.000 2.420 345 N HA 0.189 4.929 4.740 -0.001 0.000 0.249 345 N C 0.708 175.951 175.510 -0.444 0.000 1.033 345 N CA -0.463 52.441 53.050 -0.243 0.000 0.944 345 N CB 1.134 39.557 38.487 -0.106 0.000 1.113 345 N HN 0.645 nan 8.380 nan 0.000 0.502 346 I N 0.120 120.261 120.570 -0.715 0.000 3.111 346 I HA 0.169 4.338 4.170 -0.001 0.000 0.272 346 I C -0.098 175.781 176.117 -0.397 0.000 1.268 346 I CA 0.052 60.656 61.300 -1.159 0.000 1.467 346 I CB -0.033 37.180 38.000 -1.311 0.000 1.087 346 I HN 0.125 nan 8.210 nan 0.000 0.467 347 S N 1.493 117.125 115.700 -0.112 0.000 2.541 347 S HA 0.557 5.027 4.470 -0.001 0.000 0.283 347 S C -0.148 174.493 174.600 0.067 0.000 1.196 347 S CA -0.630 57.619 58.200 0.081 0.000 1.062 347 S CB 1.949 65.153 63.200 0.006 0.000 1.009 347 S HN 0.379 nan 8.310 nan 0.000 0.502 354 L N 2.317 123.501 121.223 -0.065 0.000 2.313 354 L HA 0.331 4.671 4.340 -0.001 0.000 0.214 354 L C 2.415 179.223 176.870 -0.104 0.000 1.119 354 L CA 1.561 56.252 54.840 -0.248 0.000 0.809 354 L CB -0.388 41.536 42.059 -0.226 0.000 0.933 354 L HN 0.499 nan 8.230 nan 0.000 0.449 355 G N -1.286 107.589 108.800 0.125 0.000 2.511 355 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.217 355 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.217 355 G C 1.730 176.865 174.900 0.391 0.000 1.133 355 G CA 1.092 46.412 45.100 0.366 0.000 0.792 355 G HN 0.421 nan 8.290 nan 0.000 0.539 356 T N -1.175 113.528 114.554 0.247 0.000 3.009 356 T HA 0.087 4.437 4.350 -0.001 0.000 0.258 356 T C 2.269 177.158 174.700 0.315 0.000 1.063 356 T CA 0.541 62.816 62.100 0.290 0.000 1.139 356 T CB -0.146 68.845 68.868 0.205 0.000 0.890 356 T HN -0.034 nan 8.240 nan 0.000 0.471 357 L N 2.187 123.533 121.223 0.204 0.000 1.994 357 L HA 0.237 4.577 4.340 -0.001 0.000 0.208 357 L C 2.899 179.926 176.870 0.262 0.000 1.071 357 L CA 2.107 57.094 54.840 0.246 0.000 0.745 357 L CB -1.315 40.671 42.059 -0.123 0.000 0.892 357 L HN 0.486 nan 8.230 nan 0.000 0.431 358 G N -1.870 107.079 108.800 0.248 0.000 2.421 358 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.216 358 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.216 358 G C 1.572 176.686 174.900 0.357 0.000 1.171 358 G CA 0.565 45.847 45.100 0.305 0.000 0.775 358 G HN 0.546 nan 8.290 nan 0.000 0.543 359 W N 1.210 122.704 121.300 0.323 0.000 2.363 359 W HA -0.125 4.534 4.660 -0.001 0.000 0.296 359 W C 2.640 179.249 176.519 0.150 0.000 1.212 359 W CA 1.426 58.904 57.345 0.222 0.000 1.260 359 W CB -0.252 29.325 29.460 0.194 0.000 1.131 359 W HN 0.322 nan 8.180 nan 0.000 0.530 360 S N -0.243 115.538 115.700 0.135 0.000 2.356 360 S HA -0.296 4.174 4.470 -0.001 0.000 0.223 360 S C 1.732 176.305 174.600 -0.045 0.000 1.032 360 S CA 1.693 59.985 58.200 0.153 0.000 1.005 360 S CB -1.054 62.449 63.200 0.505 0.000 0.867 360 S HN 0.413 nan 8.310 nan 0.000 0.449 361 Y N 1.942 121.968 120.300 -0.458 0.000 2.114 361 Y HA -0.138 4.412 4.550 -0.001 0.000 0.284 361 Y C 2.479 178.067 175.900 -0.520 0.000 1.143 361 Y CA 2.217 59.777 58.100 -0.900 0.000 1.135 361 Y CB -0.711 37.063 38.460 -1.143 0.000 0.980 361 Y HN 0.356 nan 8.280 nan 0.000 0.499 362 Q N -0.370 119.130 119.800 -0.500 0.000 2.096 362 Q HA -0.212 4.127 4.340 -0.001 0.000 0.204 362 Q C 2.408 178.018 176.000 -0.650 0.000 0.982 362 Q CA 1.497 56.955 55.803 -0.574 0.000 0.850 362 Q CB -0.423 27.992 28.738 -0.537 0.000 0.901 362 Q HN 0.622 nan 8.270 nan 0.000 0.422 363 A N -0.368 122.005 122.820 -0.746 0.000 2.119 363 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 363 A C 2.061 179.513 177.584 -0.221 0.000 1.153 363 A CA 0.742 52.482 52.037 -0.495 0.000 0.692 363 A CB -0.361 18.363 19.000 -0.458 0.000 0.799 363 A HN 0.430 nan 8.150 nan 0.000 0.458 364 c N -1.032 117.413 118.600 -0.259 0.000 2.634 364 c HA 0.107 4.677 4.570 -0.001 0.000 0.268 364 c C 2.729 176.688 174.090 -0.219 0.000 1.322 364 c CA 1.261 57.502 56.329 -0.148 0.000 1.737 364 c CB -0.835 41.648 42.510 -0.044 0.000 1.976 364 c HN 0.814 nan 8.230 nan 0.000 0.547 365 T N -2.063 112.273 114.554 -0.364 0.000 3.480 365 T HA 0.126 4.475 4.350 -0.001 0.000 0.229 365 T C 1.448 176.065 174.700 -0.139 0.000 0.944 365 T CA 0.467 62.371 62.100 -0.327 0.000 1.388 365 T CB -0.188 68.323 68.868 -0.595 0.000 1.180 365 T HN 0.389 nan 8.240 nan 0.000 0.414 366 E N 0.908 121.050 120.200 -0.096 0.000 2.065 366 E HA 0.149 4.499 4.350 -0.001 0.000 0.191 366 E C 0.643 177.336 176.600 0.155 0.000 0.960 366 E CA 0.441 56.896 56.400 0.091 0.000 0.824 366 E CB 0.201 29.999 29.700 0.162 0.000 0.793 366 E HN 0.244 nan 8.360 nan 0.000 0.459 367 V N 3.388 123.360 119.914 0.096 0.000 2.054 367 V HA 0.029 4.149 4.120 -0.001 0.000 0.243 367 V C -0.083 176.097 176.094 0.143 0.000 1.480 367 V CA 0.132 62.575 62.300 0.239 0.000 1.440 367 V CB -0.373 31.468 31.823 0.030 0.000 1.489 367 V HN -0.021 nan 8.190 nan 0.000 0.502 368 V N 5.388 125.465 119.914 0.270 0.000 2.270 368 V HA 0.366 4.485 4.120 -0.001 0.000 0.263 368 V C 0.216 176.324 176.094 0.023 0.000 1.066 368 V CA -0.184 62.216 62.300 0.168 0.000 0.857 368 V CB 0.722 32.682 31.823 0.228 0.000 1.099 368 V HN 0.723 nan 8.190 nan 0.000 0.476 369 M N 7.257 126.699 119.600 -0.264 0.000 2.063 369 M HA 0.369 4.849 4.480 -0.001 0.000 0.348 369 M C -2.463 173.123 176.300 -1.189 0.000 1.180 369 M CA -1.672 53.192 55.300 -0.725 0.000 1.059 369 M CB 1.364 33.508 32.600 -0.761 0.000 1.544 369 M HN 0.253 nan 8.290 nan 0.000 0.447 370 P HA 0.129 nan 4.420 nan 0.000 0.266 370 P C -1.265 175.251 177.300 -1.307 0.000 1.215 370 P CA 0.386 62.275 63.100 -2.017 0.000 0.763 370 P CB 0.080 30.844 31.700 -1.561 0.000 0.806 371 F N 3.050 122.600 119.950 -0.666 0.000 2.551 371 F HA 0.591 5.117 4.527 -0.001 0.000 0.316 371 F C 0.516 176.313 175.800 -0.005 0.000 1.089 371 F CA -0.780 57.065 58.000 -0.257 0.000 0.915 371 F CB 1.436 40.275 39.000 -0.268 0.000 1.186 371 F HN 0.508 nan 8.300 nan 0.000 0.456 372 c N -0.161 118.562 118.600 0.205 0.000 3.312 372 c HA 0.915 5.485 4.570 -0.001 0.000 0.332 372 c C -0.831 173.315 174.090 0.093 0.000 1.340 372 c CA -0.739 55.693 56.329 0.172 0.000 1.265 372 c CB 1.435 44.065 42.510 0.200 0.000 1.563 372 c HN 1.074 nan 8.230 nan 0.000 0.471 373 T N -0.200 114.412 114.554 0.098 0.000 2.893 373 T HA 0.654 5.004 4.350 -0.001 0.000 0.291 373 T C 0.032 174.786 174.700 0.091 0.000 1.028 373 T CA -0.087 62.063 62.100 0.083 0.000 0.995 373 T CB 1.783 70.697 68.868 0.077 0.000 1.051 373 T HN 1.219 nan 8.240 nan 0.000 0.470 374 N N 0.198 118.953 118.700 0.092 0.000 2.193 374 N HA 0.212 4.952 4.740 -0.001 0.000 0.210 374 N C 1.560 177.123 175.510 0.088 0.000 1.215 374 N CA 0.577 53.673 53.050 0.076 0.000 0.901 374 N CB -0.114 38.417 38.487 0.073 0.000 1.060 374 N HN 1.315 nan 8.380 nan 0.000 0.508 375 G N 0.026 108.895 108.800 0.115 0.000 2.189 375 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.267 375 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.267 375 G C 0.645 175.655 174.900 0.183 0.000 0.975 375 G CA 0.884 46.094 45.100 0.183 0.000 0.644 375 G HN 0.314 nan 8.290 nan 0.000 0.537 376 V N -0.113 119.866 119.914 0.108 0.000 2.743 376 V HA 0.139 4.258 4.120 -0.001 0.000 0.237 376 V C 1.909 178.035 176.094 0.054 0.000 1.113 376 V CA 1.698 64.057 62.300 0.098 0.000 1.141 376 V CB 0.006 31.877 31.823 0.080 0.000 0.873 376 V HN 0.236 nan 8.190 nan 0.000 0.486 377 D N 0.687 121.115 120.400 0.047 0.000 2.339 377 D HA 0.108 4.748 4.640 -0.001 0.000 0.217 377 D C 0.036 176.353 176.300 0.027 0.000 1.050 377 D CA 0.468 54.490 54.000 0.037 0.000 0.856 377 D CB 0.266 41.095 40.800 0.048 0.000 0.922 377 D HN 0.733 nan 8.370 nan 0.000 0.518 378 D N -1.286 119.121 120.400 0.011 0.000 2.559 378 D HA 0.191 4.831 4.640 -0.001 0.000 0.250 378 D C 0.645 176.800 176.300 -0.242 0.000 1.135 378 D CA -0.796 53.214 54.000 0.016 0.000 0.955 378 D CB 0.783 41.723 40.800 0.233 0.000 1.442 378 D HN -0.153 nan 8.370 nan 0.000 0.471 379 M N -0.799 118.573 119.600 -0.380 0.000 2.551 379 M HA 0.393 4.872 4.480 -0.001 0.000 0.252 379 M C -1.271 174.780 176.300 -0.415 0.000 1.219 379 M CA -0.296 54.571 55.300 -0.721 0.000 0.978 379 M CB -0.402 31.834 32.600 -0.607 0.000 1.533 379 M HN 0.136 nan 8.290 nan 0.000 0.474 380 F N 0.544 120.489 119.950 -0.008 0.000 2.594 380 F HA 0.518 5.044 4.527 -0.001 0.000 0.335 380 F C 0.623 176.330 175.800 -0.155 0.000 1.058 380 F CA -0.969 56.979 58.000 -0.088 0.000 0.981 380 F CB 0.870 39.792 39.000 -0.129 0.000 1.289 380 F HN 0.040 nan 8.300 nan 0.000 0.490 381 E N 1.722 121.762 120.200 -0.266 0.000 2.383 381 E HA 0.168 4.518 4.350 -0.001 0.000 0.264 381 E C -2.359 174.138 176.600 -0.171 0.000 1.050 381 E CA -1.667 54.619 56.400 -0.190 0.000 0.896 381 E CB 0.384 29.906 29.700 -0.297 0.000 0.982 381 E HN 0.115 nan 8.360 nan 0.000 0.424 382 P HA 0.093 nan 4.420 nan 0.000 0.271 382 P C -1.315 175.727 177.300 -0.431 0.000 1.216 382 P CA 0.324 63.322 63.100 -0.169 0.000 0.771 382 P CB 0.452 32.103 31.700 -0.082 0.000 0.864 383 H N -0.891 118.187 119.070 0.014 0.000 3.017 383 H HA 0.346 4.902 4.556 -0.001 0.000 0.340 383 H C -0.243 175.120 175.328 0.059 0.000 1.014 383 H CA -0.562 55.498 56.048 0.019 0.000 1.341 383 H CB 1.284 31.041 29.762 -0.008 0.000 1.739 383 H HN 0.316 nan 8.280 nan 0.000 0.506 384 S N 2.638 118.444 115.700 0.177 0.000 2.672 384 S HA 0.185 4.654 4.470 -0.001 0.000 0.276 384 S C -0.195 174.543 174.600 0.229 0.000 1.207 384 S CA -1.056 57.246 58.200 0.172 0.000 1.002 384 S CB 1.274 64.539 63.200 0.108 0.000 0.998 384 S HN 0.720 nan 8.310 nan 0.000 0.542 385 W N 2.954 124.284 121.300 0.050 0.000 2.388 385 W HA 0.298 4.957 4.660 -0.000 0.000 0.308 385 W C -0.792 175.745 176.519 0.030 0.000 1.263 385 W CA -0.534 56.835 57.345 0.039 0.000 1.286 385 W CB 0.376 29.853 29.460 0.027 0.000 1.294 385 W HN 0.724 nan 8.180 nan 0.000 0.493 386 N N 6.842 125.212 118.700 -0.551 0.000 2.626 386 N HA 0.043 4.783 4.740 -0.001 0.000 0.242 386 N C 0.427 175.415 175.510 -0.871 0.000 1.005 386 N CA -0.362 52.349 53.050 -0.565 0.000 0.905 386 N CB 1.085 39.420 38.487 -0.254 0.000 1.128 386 N HN 0.525 nan 8.380 nan 0.000 0.512 387 L N 4.063 124.703 121.223 -0.971 0.000 2.017 387 L HA 0.018 4.358 4.340 -0.001 0.000 0.208 387 L C 2.084 178.746 176.870 -0.347 0.000 1.073 387 L CA 1.833 56.254 54.840 -0.700 0.000 0.745 387 L CB -0.401 41.451 42.059 -0.344 0.000 0.894 387 L HN 0.466 nan 8.230 nan 0.000 0.432 388 K N -0.093 120.159 120.400 -0.247 0.000 2.020 388 K HA -0.268 4.052 4.320 -0.001 0.000 0.212 388 K C 2.136 178.653 176.600 -0.138 0.000 1.050 388 K CA 2.062 58.258 56.287 -0.151 0.000 0.929 388 K CB -0.313 32.115 32.500 -0.120 0.000 0.714 388 K HN 0.550 nan 8.250 nan 0.000 0.443 389 E N 0.600 120.703 120.200 -0.161 0.000 2.058 389 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 389 E C 2.297 178.836 176.600 -0.103 0.000 0.997 389 E CA 1.257 57.586 56.400 -0.118 0.000 0.801 389 E CB -0.177 29.454 29.700 -0.114 0.000 0.746 389 E HN 0.242 nan 8.360 nan 0.000 0.450 390 L N 0.630 121.757 121.223 -0.160 0.000 2.013 390 L HA -0.219 4.121 4.340 -0.001 0.000 0.212 390 L C 2.607 179.459 176.870 -0.030 0.000 1.073 390 L CA 2.096 56.876 54.840 -0.101 0.000 0.753 390 L CB -0.530 41.418 42.059 -0.186 0.000 0.890 390 L HN 0.065 nan 8.230 nan 0.000 0.432 391 S N -0.591 115.080 115.700 -0.048 0.000 2.359 391 S HA -0.231 4.239 4.470 -0.001 0.000 0.224 391 S C 1.664 176.296 174.600 0.053 0.000 1.035 391 S CA 1.776 59.980 58.200 0.007 0.000 1.018 391 S CB -0.472 62.714 63.200 -0.023 0.000 0.876 391 S HN 0.614 nan 8.310 nan 0.000 0.448 392 D N 1.249 121.658 120.400 0.014 0.000 2.144 392 D HA -0.067 4.572 4.640 -0.001 0.000 0.200 392 D C 1.602 177.951 176.300 0.082 0.000 0.978 392 D CA 1.030 55.054 54.000 0.039 0.000 0.833 392 D CB -0.531 40.260 40.800 -0.015 0.000 0.961 392 D HN 0.519 nan 8.370 nan 0.000 0.470 393 D N 0.154 120.582 120.400 0.046 0.000 2.183 393 D HA -0.076 4.563 4.640 -0.001 0.000 0.203 393 D C 2.129 178.467 176.300 0.063 0.000 0.969 393 D CA 0.369 54.392 54.000 0.037 0.000 0.842 393 D CB -0.401 40.408 40.800 0.016 0.000 0.957 393 D HN 0.221 nan 8.370 nan 0.000 0.484 394 c N 0.494 119.163 118.600 0.115 0.000 2.446 394 c HA -0.102 4.467 4.570 -0.001 0.000 0.277 394 c C 2.514 176.720 174.090 0.195 0.000 1.275 394 c CA -0.010 56.431 56.329 0.186 0.000 1.727 394 c CB -1.242 41.370 42.510 0.169 0.000 2.010 394 c HN 0.237 nan 8.230 nan 0.000 0.486 395 F N 1.206 121.190 119.950 0.056 0.000 2.171 395 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 395 F C 2.534 178.344 175.800 0.018 0.000 1.090 395 F CA 1.881 59.908 58.000 0.045 0.000 1.293 395 F CB -0.314 38.695 39.000 0.015 0.000 1.013 395 F HN 0.129 nan 8.300 nan 0.000 0.486 396 Q N 0.298 120.184 119.800 0.143 0.000 2.050 396 Q HA -0.239 4.100 4.340 -0.001 0.000 0.202 396 Q C 2.299 178.225 176.000 -0.123 0.000 0.980 396 Q CA 2.139 57.958 55.803 0.026 0.000 0.840 396 Q CB -0.498 28.255 28.738 0.024 0.000 0.898 396 Q HN 0.599 nan 8.270 nan 0.000 0.424 397 Q N -1.878 117.799 119.800 -0.205 0.000 2.096 397 Q HA -0.118 4.221 4.340 -0.001 0.000 0.197 397 Q C 1.058 176.714 176.000 -0.574 0.000 0.964 397 Q CA 1.470 56.976 55.803 -0.496 0.000 0.838 397 Q CB -0.001 28.302 28.738 -0.725 0.000 0.906 397 Q HN 0.481 nan 8.270 nan 0.000 0.444 398 W N -1.530 119.744 121.300 -0.043 0.000 2.901 398 W HA 0.400 5.059 4.660 -0.000 0.000 0.281 398 W C 0.958 177.374 176.519 -0.172 0.000 1.167 398 W CA 0.061 57.383 57.345 -0.037 0.000 1.506 398 W CB 0.669 30.203 29.460 0.123 0.000 0.985 398 W HN 0.241 nan 8.180 nan 0.000 0.590 399 G N 1.569 110.238 108.800 -0.219 0.000 2.171 399 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.238 399 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.238 399 G C -0.359 174.258 174.900 -0.471 0.000 1.039 399 G CA 0.087 44.749 45.100 -0.729 0.000 0.759 399 G HN 0.555 nan 8.290 nan 0.000 0.501 400 V N -4.159 115.680 119.914 -0.126 0.000 3.078 400 V HA 0.946 5.066 4.120 -0.001 0.000 0.311 400 V C -0.213 175.982 176.094 0.168 0.000 1.138 400 V CA -1.871 60.465 62.300 0.060 0.000 1.007 400 V CB 1.964 33.816 31.823 0.048 0.000 1.045 400 V HN 0.367 nan 8.190 nan 0.000 0.432 401 R N 2.222 122.801 120.500 0.132 0.000 2.534 401 R HA 0.619 4.959 4.340 -0.001 0.000 0.301 401 R C -2.791 173.521 176.300 0.019 0.000 0.961 401 R CA -1.874 54.294 56.100 0.113 0.000 0.871 401 R CB 2.401 32.778 30.300 0.127 0.000 1.170 401 R HN 0.670 nan 8.270 nan 0.000 0.446 402 P HA -0.000 nan 4.420 nan 0.000 0.267 402 P C -0.867 176.444 177.300 0.020 0.000 1.200 402 P CA 0.035 63.140 63.100 0.008 0.000 0.772 402 P CB 0.722 32.454 31.700 0.054 0.000 0.855 403 R N 3.447 123.962 120.500 0.024 0.000 2.396 403 R HA 0.216 4.555 4.340 -0.001 0.000 0.292 403 R C -1.346 175.031 176.300 0.128 0.000 1.240 403 R CA -1.475 54.655 56.100 0.050 0.000 1.270 403 R CB 0.942 31.234 30.300 -0.014 0.000 1.108 403 R HN 0.426 nan 8.270 nan 0.000 0.573 404 P HA -0.142 nan 4.420 nan 0.000 0.228 404 P C 0.832 178.233 177.300 0.169 0.000 1.151 404 P CA 1.104 64.317 63.100 0.188 0.000 0.770 404 P CB 0.513 32.340 31.700 0.212 0.000 0.786 405 S N -2.727 113.058 115.700 0.141 0.000 2.512 405 S HA 0.008 4.477 4.470 -0.001 0.000 0.216 405 S C 1.770 176.421 174.600 0.085 0.000 1.006 405 S CA -0.818 57.441 58.200 0.100 0.000 0.915 405 S CB -1.120 62.133 63.200 0.088 0.000 0.824 405 S HN 0.211 nan 8.310 nan 0.000 0.497 406 W N 2.417 123.664 121.300 -0.088 0.000 2.311 406 W HA -0.203 4.456 4.660 -0.001 0.000 0.326 406 W C 1.485 177.866 176.519 -0.230 0.000 1.239 406 W CA 1.348 58.605 57.345 -0.148 0.000 1.258 406 W CB -0.375 29.003 29.460 -0.137 0.000 1.165 406 W HN 0.245 nan 8.180 nan 0.000 0.466 407 I N 1.046 121.343 120.570 -0.455 0.000 2.236 407 I HA -0.321 3.849 4.170 -0.001 0.000 0.249 407 I C 2.308 178.079 176.117 -0.577 0.000 1.102 407 I CA 2.083 62.993 61.300 -0.650 0.000 1.365 407 I CB -1.868 35.660 38.000 -0.788 0.000 1.051 407 I HN 0.042 nan 8.210 nan 0.000 0.420 408 T N 0.262 114.568 114.554 -0.414 0.000 2.904 408 T HA -0.094 4.256 4.350 -0.001 0.000 0.267 408 T C 1.844 176.380 174.700 -0.273 0.000 1.059 408 T CA 1.757 63.713 62.100 -0.240 0.000 1.137 408 T CB -0.020 68.778 68.868 -0.117 0.000 0.879 408 T HN 0.386 nan 8.240 nan 0.000 0.467 409 T N 1.415 115.741 114.554 -0.381 0.000 2.851 409 T HA 0.047 4.397 4.350 -0.001 0.000 0.262 409 T C 1.889 176.218 174.700 -0.617 0.000 1.043 409 T CA 0.906 62.777 62.100 -0.382 0.000 1.140 409 T CB -0.192 68.523 68.868 -0.254 0.000 0.872 409 T HN 0.183 nan 8.240 nan 0.000 0.446 410 M N 0.941 119.887 119.600 -1.090 0.000 2.073 410 M HA 0.039 4.519 4.480 -0.001 0.000 0.259 410 M C 1.232 176.963 176.300 -0.948 0.000 1.079 410 M CA 1.681 56.210 55.300 -1.285 0.000 1.131 410 M CB -0.540 30.859 32.600 -2.002 0.000 1.316 410 M HN 0.225 nan 8.290 nan 0.000 0.415 411 Y N -0.034 119.911 120.300 -0.591 0.000 2.529 411 Y HA 0.387 4.936 4.550 -0.001 0.000 0.290 411 Y C 1.712 177.542 175.900 -0.115 0.000 1.177 411 Y CA 0.347 58.197 58.100 -0.417 0.000 1.305 411 Y CB -0.624 37.349 38.460 -0.812 0.000 1.047 411 Y HN 0.567 nan 8.280 nan 0.000 0.522 412 G N -0.987 107.793 108.800 -0.033 0.000 2.241 412 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.244 412 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.244 412 G C 1.143 176.098 174.900 0.091 0.000 0.998 412 G CA 0.186 45.315 45.100 0.049 0.000 0.621 412 G HN 1.065 nan 8.290 nan 0.000 0.519 413 G N 0.137 109.032 108.800 0.158 0.000 2.561 413 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.289 413 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.289 413 G C 0.899 175.940 174.900 0.234 0.000 1.169 413 G CA 1.292 46.499 45.100 0.178 0.000 0.980 413 G HN 1.079 nan 8.290 nan 0.000 0.550 414 K N 1.181 121.494 120.400 -0.145 0.000 2.305 414 K HA 0.037 4.357 4.320 -0.001 0.000 0.199 414 K C 0.712 177.322 176.600 0.017 0.000 1.047 414 K CA 0.726 56.800 56.287 -0.355 0.000 0.976 414 K CB -0.124 31.940 32.500 -0.727 0.000 0.765 414 K HN 0.437 nan 8.250 nan 0.000 0.474 415 N N 1.898 120.627 118.700 0.049 0.000 2.819 415 N HA 0.052 4.791 4.740 -0.001 0.000 0.284 415 N C 0.243 175.852 175.510 0.165 0.000 1.196 415 N CA 0.120 53.215 53.050 0.075 0.000 1.114 415 N CB -0.029 38.474 38.487 0.027 0.000 1.437 415 N HN 0.269 nan 8.380 nan 0.000 0.518 416 I N -3.109 117.608 120.570 0.245 0.000 3.994 416 I HA 0.242 4.412 4.170 -0.001 0.000 0.323 416 I C 0.860 177.140 176.117 0.271 0.000 1.501 416 I CA -0.381 61.141 61.300 0.370 0.000 1.112 416 I CB 0.428 38.728 38.000 0.501 0.000 1.254 416 I HN 0.032 nan 8.210 nan 0.000 0.495 417 S N 1.411 117.197 115.700 0.144 0.000 2.400 417 S HA -0.212 4.258 4.470 -0.001 0.000 0.232 417 S C 2.097 176.715 174.600 0.030 0.000 1.025 417 S CA 1.708 59.967 58.200 0.098 0.000 0.993 417 S CB -0.701 62.539 63.200 0.068 0.000 0.808 417 S HN 0.762 nan 8.310 nan 0.000 0.478 418 S N 1.434 117.085 115.700 -0.083 0.000 2.447 418 S HA -0.075 4.395 4.470 -0.001 0.000 0.233 418 S C 0.770 175.254 174.600 -0.192 0.000 1.006 418 S CA 0.106 58.207 58.200 -0.165 0.000 0.957 418 S CB -0.743 62.315 63.200 -0.238 0.000 0.773 418 S HN 0.582 nan 8.310 nan 0.000 0.507 419 H N 2.229 121.329 119.070 0.050 0.000 2.660 419 H HA 0.480 5.036 4.556 -0.000 0.000 0.374 419 H C 0.706 176.040 175.328 0.010 0.000 1.291 419 H CA 1.032 57.096 56.048 0.026 0.000 1.437 419 H CB 0.598 30.388 29.762 0.046 0.000 1.509 419 H HN 0.510 nan 8.280 nan 0.000 0.614 420 T N -2.686 111.921 114.554 0.088 0.000 2.864 420 T HA 0.273 4.623 4.350 -0.001 0.000 0.299 420 T C -0.371 174.238 174.700 -0.153 0.000 1.166 420 T CA -1.242 60.856 62.100 -0.003 0.000 1.007 420 T CB 1.180 70.037 68.868 -0.017 0.000 1.219 420 T HN 0.761 nan 8.240 nan 0.000 0.506 421 N N 0.214 118.799 118.700 -0.192 0.000 2.671 421 N HA -0.126 4.614 4.740 -0.001 0.000 0.261 421 N C -1.126 173.976 175.510 -0.679 0.000 1.053 421 N CA 0.298 53.024 53.050 -0.540 0.000 0.732 421 N CB -1.408 36.343 38.487 -1.226 0.000 0.887 421 N HN 0.663 nan 8.380 nan 0.000 0.546 422 I N -0.100 120.285 120.570 -0.308 0.000 2.548 422 I HA 0.328 4.497 4.170 -0.001 0.000 0.287 422 I C -0.455 175.456 176.117 -0.343 0.000 1.103 422 I CA -1.064 59.971 61.300 -0.441 0.000 1.049 422 I CB 2.050 39.668 38.000 -0.637 0.000 1.232 422 I HN -0.040 nan 8.210 nan 0.000 0.429 423 V N 7.028 126.777 119.914 -0.273 0.000 2.328 423 V HA 0.500 4.619 4.120 -0.001 0.000 0.278 423 V C -1.085 174.803 176.094 -0.343 0.000 1.021 423 V CA -0.207 61.951 62.300 -0.236 0.000 0.838 423 V CB 0.924 32.639 31.823 -0.181 0.000 0.999 423 V HN 0.476 nan 8.190 nan 0.000 0.447 424 F N 6.024 125.903 119.950 -0.119 0.000 2.335 424 F HA 0.493 5.020 4.527 -0.000 0.000 0.365 424 F C 1.016 176.745 175.800 -0.118 0.000 1.122 424 F CA -0.237 57.676 58.000 -0.144 0.000 1.151 424 F CB 1.228 40.119 39.000 -0.182 0.000 1.282 424 F HN 0.643 nan 8.300 nan 0.000 0.513 425 S N 3.317 119.027 115.700 0.016 0.000 2.554 425 S HA 0.601 5.071 4.470 -0.001 0.000 0.278 425 S C -0.504 174.105 174.600 0.014 0.000 1.242 425 S CA -0.778 57.416 58.200 -0.010 0.000 1.051 425 S CB 1.425 64.575 63.200 -0.083 0.000 0.986 425 S HN 0.545 nan 8.310 nan 0.000 0.502 426 N N 0.446 119.161 118.700 0.025 0.000 2.324 426 N HA 0.425 5.165 4.740 -0.001 0.000 0.285 426 N C -0.480 175.058 175.510 0.048 0.000 1.076 426 N CA -0.499 52.579 53.050 0.045 0.000 0.864 426 N CB 2.165 40.686 38.487 0.056 0.000 1.632 426 N HN 0.906 nan 8.380 nan 0.000 0.478 427 G N 0.091 108.930 108.800 0.064 0.000 2.476 427 G HA2 0.165 4.124 3.960 -0.001 0.000 0.269 427 G HA3 0.165 4.124 3.960 -0.001 0.000 0.269 427 G C 0.602 175.542 174.900 0.067 0.000 1.195 427 G CA -0.138 45.004 45.100 0.070 0.000 0.843 427 G HN 0.587 nan 8.290 nan 0.000 0.545 428 E N 0.652 120.889 120.200 0.062 0.000 2.285 428 E HA -0.009 4.340 4.350 -0.001 0.000 0.194 428 E C 2.169 178.789 176.600 0.034 0.000 0.997 428 E CA 0.306 56.733 56.400 0.046 0.000 0.845 428 E CB 0.041 29.765 29.700 0.040 0.000 0.782 428 E HN 0.507 nan 8.360 nan 0.000 0.491 429 L N 0.238 121.490 121.223 0.048 0.000 2.354 429 L HA 0.070 4.410 4.340 -0.001 0.000 0.212 429 L C 0.834 177.696 176.870 -0.012 0.000 1.091 429 L CA -0.163 54.692 54.840 0.026 0.000 0.828 429 L CB -0.070 42.031 42.059 0.070 0.000 0.973 429 L HN -0.028 nan 8.230 nan 0.000 0.461 430 D N 2.143 122.556 120.400 0.022 0.000 2.451 430 D HA -0.010 4.630 4.640 -0.001 0.000 0.254 430 D C -1.307 174.922 176.300 -0.117 0.000 1.204 430 D CA -1.551 52.459 54.000 0.017 0.000 0.896 430 D CB 1.085 41.989 40.800 0.173 0.000 1.136 430 D HN -0.032 nan 8.370 nan 0.000 0.499 431 P HA -0.153 nan 4.420 nan 0.000 0.219 431 P C 1.217 178.172 177.300 -0.574 0.000 1.146 431 P CA 1.114 63.708 63.100 -0.843 0.000 0.808 431 P CB -0.093 30.471 31.700 -1.893 0.000 0.779 432 W N 1.405 122.602 121.300 -0.172 0.000 2.421 432 W HA -0.125 4.535 4.660 -0.000 0.000 0.270 432 W C 2.624 179.215 176.519 0.119 0.000 1.233 432 W CA 1.173 58.598 57.345 0.134 0.000 1.226 432 W CB -0.873 28.701 29.460 0.189 0.000 1.121 432 W HN 0.063 nan 8.180 nan 0.000 0.579 433 S N -0.439 115.417 115.700 0.259 0.000 2.469 433 S HA -0.087 4.383 4.470 -0.001 0.000 0.238 433 S C 1.961 176.657 174.600 0.160 0.000 0.998 433 S CA 1.074 59.378 58.200 0.173 0.000 0.957 433 S CB -0.982 62.282 63.200 0.107 0.000 0.764 433 S HN 0.291 nan 8.310 nan 0.000 0.514 434 G N 1.426 110.328 108.800 0.171 0.000 2.422 434 G HA2 0.149 4.109 3.960 -0.001 0.000 0.218 434 G HA3 0.149 4.109 3.960 -0.001 0.000 0.218 434 G C 1.179 176.213 174.900 0.223 0.000 1.140 434 G CA 0.478 45.680 45.100 0.170 0.000 0.775 434 G HN 0.670 nan 8.290 nan 0.000 0.545 435 G N -0.309 108.664 108.800 0.289 0.000 3.233 435 G HA2 0.489 4.449 3.960 -0.001 0.000 0.234 435 G HA3 0.489 4.449 3.960 -0.001 0.000 0.234 435 G C 0.629 175.673 174.900 0.239 0.000 1.137 435 G CA 0.530 45.806 45.100 0.294 0.000 0.763 435 G HN 0.622 nan 8.290 nan 0.000 0.549 436 G N -0.608 108.281 108.800 0.148 0.000 2.613 436 G HA2 0.474 4.434 3.960 -0.001 0.000 0.303 436 G HA3 0.474 4.434 3.960 -0.001 0.000 0.303 436 G C -0.536 174.246 174.900 -0.196 0.000 1.312 436 G CA -0.370 44.686 45.100 -0.074 0.000 1.036 436 G HN 0.585 nan 8.290 nan 0.000 0.513 437 V N 0.049 119.632 119.914 -0.551 0.000 2.385 437 V HA 0.552 4.672 4.120 -0.001 0.000 0.269 437 V C 0.869 176.862 176.094 -0.169 0.000 1.043 437 V CA 0.628 62.582 62.300 -0.577 0.000 0.906 437 V CB 0.872 31.945 31.823 -1.249 0.000 0.995 437 V HN 0.969 nan 8.190 nan 0.000 0.467 438 T N 2.248 116.801 114.554 -0.002 0.000 2.985 438 T HA 0.375 4.724 4.350 -0.001 0.000 0.254 438 T C 0.424 175.161 174.700 0.062 0.000 1.021 438 T CA -0.074 62.052 62.100 0.043 0.000 0.957 438 T CB 0.126 69.031 68.868 0.062 0.000 1.047 438 T HN 0.585 nan 8.240 nan 0.000 0.511 439 K N 1.745 122.193 120.400 0.081 0.000 2.422 439 K HA 0.483 4.803 4.320 -0.001 0.000 0.251 439 K C -1.668 174.992 176.600 0.100 0.000 0.933 439 K CA -0.634 55.706 56.287 0.088 0.000 0.798 439 K CB 1.353 33.907 32.500 0.090 0.000 1.238 439 K HN -0.122 nan 8.250 nan 0.000 0.428 440 D N 3.409 123.867 120.400 0.098 0.000 2.583 440 D HA -0.024 4.616 4.640 -0.001 0.000 0.232 440 D C 0.918 177.294 176.300 0.127 0.000 1.128 440 D CA 0.510 54.578 54.000 0.113 0.000 0.859 440 D CB 0.476 41.338 40.800 0.103 0.000 1.169 440 D HN 0.446 nan 8.370 nan 0.000 0.481 441 I N 0.919 121.581 120.570 0.153 0.000 2.494 441 I HA -0.049 4.121 4.170 -0.001 0.000 0.250 441 I C 1.495 177.691 176.117 0.132 0.000 1.112 441 I CA 0.902 62.300 61.300 0.163 0.000 1.438 441 I CB -0.052 38.076 38.000 0.213 0.000 1.111 441 I HN 0.512 nan 8.210 nan 0.000 0.431 442 T N -3.707 110.926 114.554 0.132 0.000 2.654 442 T HA 0.268 4.618 4.350 -0.001 0.000 0.289 442 T C -0.113 174.658 174.700 0.119 0.000 1.062 442 T CA -0.435 61.732 62.100 0.113 0.000 1.041 442 T CB 0.844 69.777 68.868 0.108 0.000 1.417 442 T HN 0.013 nan 8.240 nan 0.000 0.510 443 D N -0.016 120.453 120.400 0.115 0.000 2.312 443 D HA 0.087 4.727 4.640 -0.001 0.000 0.211 443 D C 1.627 178.035 176.300 0.179 0.000 0.964 443 D CA 0.989 55.069 54.000 0.133 0.000 0.877 443 D CB -0.115 40.752 40.800 0.112 0.000 0.924 443 D HN 0.593 nan 8.370 nan 0.000 0.515 444 T N -0.964 113.689 114.554 0.165 0.000 3.000 444 T HA 0.197 4.547 4.350 -0.001 0.000 0.248 444 T C 0.268 175.054 174.700 0.144 0.000 1.034 444 T CA -0.226 61.988 62.100 0.190 0.000 1.060 444 T CB 0.035 69.000 68.868 0.161 0.000 0.983 444 T HN -0.011 nan 8.240 nan 0.000 0.482 445 L N 3.778 125.086 121.223 0.141 0.000 2.314 445 L HA 0.536 4.876 4.340 -0.001 0.000 0.275 445 L C -0.451 176.533 176.870 0.191 0.000 1.068 445 L CA -0.901 54.047 54.840 0.179 0.000 0.894 445 L CB 1.160 43.364 42.059 0.242 0.000 1.275 445 L HN 0.118 nan 8.230 nan 0.000 0.432 446 V N 0.178 120.172 119.914 0.134 0.000 2.667 446 V HA 0.938 5.057 4.120 -0.001 0.000 0.308 446 V C 0.110 176.288 176.094 0.140 0.000 1.048 446 V CA -0.623 61.735 62.300 0.097 0.000 0.928 446 V CB 1.735 33.548 31.823 -0.017 0.000 1.004 446 V HN 0.573 nan 8.190 nan 0.000 0.444 447 A N 3.389 126.278 122.820 0.116 0.000 2.312 447 A HA 0.868 5.188 4.320 -0.001 0.000 0.326 447 A C -0.597 177.022 177.584 0.058 0.000 1.172 447 A CA -0.680 51.419 52.037 0.103 0.000 0.821 447 A CB 1.593 20.636 19.000 0.073 0.000 1.166 447 A HN 1.429 nan 8.150 nan 0.000 0.493 448 V N 2.663 122.603 119.914 0.044 0.000 2.419 448 V HA 0.402 4.521 4.120 -0.001 0.000 0.287 448 V C 0.031 176.141 176.094 0.026 0.000 1.017 448 V CA -0.371 61.944 62.300 0.025 0.000 0.844 448 V CB 1.654 33.475 31.823 -0.003 0.000 1.011 448 V HN 1.060 nan 8.190 nan 0.000 0.429 449 T N 2.870 117.443 114.554 0.032 0.000 2.837 449 T HA 0.778 5.128 4.350 -0.001 0.000 0.285 449 T C -0.462 174.257 174.700 0.032 0.000 0.984 449 T CA -0.431 61.689 62.100 0.034 0.000 1.049 449 T CB 1.470 70.362 68.868 0.039 0.000 0.947 449 T HN 0.281 nan 8.240 nan 0.000 0.472 450 I N 3.288 123.879 120.570 0.035 0.000 2.412 450 I HA 0.215 4.385 4.170 -0.001 0.000 0.279 450 I C 0.723 176.875 176.117 0.058 0.000 1.063 450 I CA -0.472 60.853 61.300 0.041 0.000 1.193 450 I CB 0.788 38.807 38.000 0.032 0.000 1.370 450 I HN 0.812 nan 8.210 nan 0.000 0.479 451 S N 3.931 119.663 115.700 0.054 0.000 2.537 451 S HA 0.212 4.681 4.470 -0.001 0.000 0.286 451 S C 0.571 175.228 174.600 0.094 0.000 1.299 451 S CA -0.296 57.938 58.200 0.057 0.000 1.067 451 S CB 0.396 63.619 63.200 0.038 0.000 0.864 451 S HN 0.754 nan 8.310 nan 0.000 0.494 452 E N -0.242 120.032 120.200 0.123 0.000 3.898 452 E HA -0.128 4.222 4.350 -0.001 0.000 0.328 452 E C 0.360 177.132 176.600 0.287 0.000 0.770 452 E CA 0.761 57.317 56.400 0.261 0.000 1.267 452 E CB -1.827 28.075 29.700 0.337 0.000 1.646 452 E HN 0.961 nan 8.360 nan 0.000 0.420 453 G N 0.009 108.910 108.800 0.168 0.000 2.335 453 G HA2 0.667 4.627 3.960 -0.001 0.000 0.314 453 G HA3 0.667 4.627 3.960 -0.001 0.000 0.314 453 G C 0.316 175.306 174.900 0.150 0.000 1.129 453 G CA 0.104 45.284 45.100 0.133 0.000 0.912 453 G HN 0.218 nan 8.290 nan 0.000 0.443 454 A N 2.386 125.331 122.820 0.209 0.000 3.474 454 A HA 0.493 4.812 4.320 -0.001 0.000 0.159 454 A C 0.431 178.125 177.584 0.185 0.000 1.939 454 A CA -0.239 51.903 52.037 0.176 0.000 1.265 454 A CB -0.461 18.605 19.000 0.110 0.000 1.818 454 A HN 0.762 nan 8.150 nan 0.000 0.767 455 H N 0.280 119.368 119.070 0.030 0.000 2.934 455 H HA 0.364 4.919 4.556 -0.000 0.000 0.273 455 H C 0.042 175.276 175.328 -0.157 0.000 1.121 455 H CA 0.650 56.643 56.048 -0.092 0.000 1.451 455 H CB -0.809 28.852 29.762 -0.168 0.000 1.469 455 H HN 0.842 nan 8.280 nan 0.000 0.476 456 H N 2.565 121.492 119.070 -0.239 0.000 2.415 456 H HA -0.233 4.322 4.556 -0.000 0.000 0.323 456 H C 0.418 175.676 175.328 -0.116 0.000 1.035 456 H CA 0.782 56.694 56.048 -0.227 0.000 1.098 456 H CB -1.848 27.700 29.762 -0.356 0.000 1.575 456 H HN 0.753 nan 8.280 nan 0.000 0.387 457 L N 0.225 121.477 121.223 0.048 0.000 2.042 457 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 457 L C 2.148 178.967 176.870 -0.085 0.000 1.076 457 L CA 2.217 56.986 54.840 -0.119 0.000 0.749 457 L CB -0.321 41.657 42.059 -0.135 0.000 0.893 457 L HN 0.743 nan 8.230 nan 0.000 0.432 458 D N 0.063 120.409 120.400 -0.090 0.000 2.203 458 D HA -0.285 4.355 4.640 -0.001 0.000 0.199 458 D C 1.931 178.078 176.300 -0.255 0.000 0.997 458 D CA 1.401 55.293 54.000 -0.180 0.000 0.863 458 D CB -0.654 39.990 40.800 -0.260 0.000 0.928 458 D HN 0.409 nan 8.370 nan 0.000 0.458 459 L N -0.463 120.647 121.223 -0.188 0.000 2.591 459 L HA 0.092 4.432 4.340 -0.001 0.000 0.228 459 L C 1.142 178.043 176.870 0.053 0.000 1.133 459 L CA -0.109 54.658 54.840 -0.121 0.000 0.880 459 L CB -0.055 41.871 42.059 -0.223 0.000 1.033 459 L HN -0.127 nan 8.230 nan 0.000 0.450 460 R N 0.221 120.752 120.500 0.051 0.000 2.577 460 R HA 0.265 4.605 4.340 -0.001 0.000 0.269 460 R C 0.085 176.455 176.300 0.117 0.000 1.084 460 R CA -0.299 55.861 56.100 0.100 0.000 1.163 460 R CB 0.066 30.430 30.300 0.107 0.000 1.100 460 R HN -0.097 nan 8.270 nan 0.000 0.547 461 T N 2.719 117.328 114.554 0.091 0.000 2.928 461 T HA 0.035 4.385 4.350 -0.001 0.000 0.305 461 T C 0.434 175.119 174.700 -0.025 0.000 1.035 461 T CA -0.251 61.872 62.100 0.040 0.000 1.145 461 T CB 0.212 69.074 68.868 -0.010 0.000 0.963 461 T HN 0.319 nan 8.240 nan 0.000 0.545 462 K N 3.314 123.697 120.400 -0.028 0.000 2.527 462 K HA 0.014 4.334 4.320 -0.001 0.000 0.278 462 K C 0.828 177.320 176.600 -0.180 0.000 0.981 462 K CA -0.389 55.855 56.287 -0.072 0.000 1.009 462 K CB 0.598 33.074 32.500 -0.039 0.000 0.895 462 K HN 0.562 nan 8.250 nan 0.000 0.493 463 N N 1.233 119.775 118.700 -0.264 0.000 2.606 463 N HA -0.026 4.714 4.740 -0.001 0.000 0.208 463 N C 0.585 175.948 175.510 -0.245 0.000 1.046 463 N CA 1.068 53.869 53.050 -0.415 0.000 0.891 463 N CB 0.612 38.510 38.487 -0.980 0.000 1.344 463 N HN 0.792 nan 8.380 nan 0.000 0.437 464 A N 0.173 122.902 122.820 -0.151 0.000 3.202 464 A HA -0.073 4.247 4.320 -0.001 0.000 0.198 464 A C 0.933 178.495 177.584 -0.035 0.000 0.658 464 A CA 0.161 52.153 52.037 -0.075 0.000 2.180 464 A CB -1.755 17.201 19.000 -0.073 0.000 0.687 464 A HN 0.145 nan 8.150 nan 0.000 0.594 465 L N 2.398 123.596 121.223 -0.042 0.000 2.627 465 L HA 0.135 4.475 4.340 -0.001 0.000 0.233 465 L C -0.372 176.563 176.870 0.108 0.000 1.144 465 L CA 0.137 55.010 54.840 0.056 0.000 0.892 465 L CB -0.220 41.900 42.059 0.101 0.000 1.039 465 L HN 0.387 nan 8.230 nan 0.000 0.442 466 D N 3.029 123.469 120.400 0.065 0.000 2.358 466 D HA 0.113 4.753 4.640 -0.001 0.000 0.258 466 D C -1.924 174.426 176.300 0.083 0.000 1.223 466 D CA -0.989 53.063 54.000 0.087 0.000 0.886 466 D CB 0.621 41.450 40.800 0.047 0.000 1.120 466 D HN 0.063 nan 8.370 nan 0.000 0.482 467 P HA -0.059 nan 4.420 nan 0.000 0.270 467 P C 1.129 178.472 177.300 0.071 0.000 1.227 467 P CA -0.538 62.625 63.100 0.106 0.000 0.788 467 P CB 0.918 32.704 31.700 0.142 0.000 0.926 468 M N 1.165 120.801 119.600 0.060 0.000 2.149 468 M HA -0.139 4.341 4.480 -0.001 0.000 0.261 468 M C 2.118 178.443 176.300 0.042 0.000 1.064 468 M CA 2.229 57.556 55.300 0.044 0.000 1.102 468 M CB -1.906 30.715 32.600 0.035 0.000 1.369 468 M HN 0.494 nan 8.290 nan 0.000 0.408 469 S N -0.658 115.071 115.700 0.048 0.000 2.387 469 S HA -0.134 4.336 4.470 -0.001 0.000 0.230 469 S C 2.024 176.647 174.600 0.037 0.000 1.035 469 S CA 1.678 59.905 58.200 0.044 0.000 1.014 469 S CB -1.334 61.897 63.200 0.052 0.000 0.836 469 S HN 0.378 nan 8.310 nan 0.000 0.466 470 V N 2.237 122.175 119.914 0.041 0.000 2.239 470 V HA -0.032 4.088 4.120 -0.001 0.000 0.242 470 V C 2.315 178.426 176.094 0.029 0.000 1.038 470 V CA 1.692 64.008 62.300 0.026 0.000 1.002 470 V CB -0.765 31.071 31.823 0.022 0.000 0.641 470 V HN 0.563 nan 8.190 nan 0.000 0.449 471 L N -0.182 121.064 121.223 0.039 0.000 2.021 471 L HA -0.259 4.081 4.340 -0.001 0.000 0.215 471 L C 2.536 179.430 176.870 0.040 0.000 1.074 471 L CA 2.327 57.192 54.840 0.043 0.000 0.760 471 L CB -0.940 41.139 42.059 0.033 0.000 0.889 471 L HN 0.399 nan 8.230 nan 0.000 0.433 472 L N -0.530 120.712 121.223 0.033 0.000 2.079 472 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 472 L C 2.651 179.539 176.870 0.031 0.000 1.081 472 L CA 1.527 56.385 54.840 0.029 0.000 0.752 472 L CB -0.260 41.816 42.059 0.027 0.000 0.896 472 L HN 0.266 nan 8.230 nan 0.000 0.433 473 A N -0.454 122.381 122.820 0.025 0.000 1.874 473 A HA -0.143 4.177 4.320 -0.001 0.000 0.214 473 A C 2.299 179.890 177.584 0.013 0.000 1.189 473 A CA 1.155 53.200 52.037 0.012 0.000 0.615 473 A CB -0.481 18.514 19.000 -0.009 0.000 0.830 473 A HN 0.386 nan 8.150 nan 0.000 0.443 474 R N 0.263 120.781 120.500 0.030 0.000 2.117 474 R HA -0.155 4.184 4.340 -0.001 0.000 0.243 474 R C 2.611 179.023 176.300 0.188 0.000 1.143 474 R CA 1.756 57.935 56.100 0.131 0.000 0.968 474 R CB -0.408 30.025 30.300 0.222 0.000 0.863 474 R HN 0.707 nan 8.270 nan 0.000 0.444 475 S N 0.787 116.544 115.700 0.096 0.000 2.387 475 S HA -0.101 4.369 4.470 -0.001 0.000 0.226 475 S C 1.979 176.602 174.600 0.038 0.000 1.026 475 S CA 0.667 58.900 58.200 0.056 0.000 0.972 475 S CB -0.155 63.061 63.200 0.027 0.000 0.814 475 S HN 0.232 nan 8.310 nan 0.000 0.477 476 L N 1.813 123.064 121.223 0.048 0.000 2.141 476 L HA 0.106 4.446 4.340 -0.001 0.000 0.209 476 L C 2.231 179.167 176.870 0.110 0.000 1.094 476 L CA 1.742 56.625 54.840 0.072 0.000 0.763 476 L CB -0.890 41.221 42.059 0.086 0.000 0.908 476 L HN 0.375 nan 8.230 nan 0.000 0.437 477 E N -1.075 119.166 120.200 0.069 0.000 2.015 477 E HA -0.230 4.120 4.350 -0.001 0.000 0.191 477 E C 2.266 178.874 176.600 0.013 0.000 0.991 477 E CA 1.707 58.135 56.400 0.046 0.000 0.802 477 E CB -0.517 29.218 29.700 0.057 0.000 0.759 477 E HN 0.406 nan 8.360 nan 0.000 0.447 478 V N 1.210 121.162 119.914 0.063 0.000 2.332 478 V HA -0.338 3.782 4.120 -0.001 0.000 0.248 478 V C 2.298 178.309 176.094 -0.138 0.000 1.055 478 V CA 2.319 64.590 62.300 -0.047 0.000 1.038 478 V CB -0.318 31.470 31.823 -0.059 0.000 0.651 478 V HN 0.184 nan 8.190 nan 0.000 0.450 479 R N -1.079 119.350 120.500 -0.119 0.000 2.112 479 R HA -0.251 4.089 4.340 -0.001 0.000 0.242 479 R C 2.302 178.392 176.300 -0.351 0.000 1.137 479 R CA 2.716 58.700 56.100 -0.194 0.000 0.944 479 R CB -0.545 29.656 30.300 -0.166 0.000 0.857 479 R HN 0.787 nan 8.270 nan 0.000 0.435 480 H N -0.994 117.833 119.070 -0.406 0.000 2.357 480 H HA -0.019 4.536 4.556 -0.000 0.000 0.301 480 H C 2.087 176.563 175.328 -1.420 0.000 1.082 480 H CA 2.031 57.623 56.048 -0.760 0.000 1.342 480 H CB 0.047 29.418 29.762 -0.653 0.000 1.389 480 H HN 0.168 nan 8.280 nan 0.000 0.511 481 M N 0.572 119.595 119.600 -0.962 0.000 2.080 481 M HA -0.197 4.283 4.480 -0.001 0.000 0.260 481 M C 2.232 178.306 176.300 -0.377 0.000 1.068 481 M CA 1.847 56.703 55.300 -0.739 0.000 1.109 481 M CB -0.260 32.173 32.600 -0.279 0.000 1.342 481 M HN 0.318 nan 8.290 nan 0.000 0.405 482 K N -0.554 119.683 120.400 -0.271 0.000 2.283 482 K HA -0.094 4.226 4.320 -0.001 0.000 0.202 482 K C 1.180 177.711 176.600 -0.115 0.000 1.048 482 K CA 1.528 57.734 56.287 -0.134 0.000 0.948 482 K CB -0.392 32.053 32.500 -0.092 0.000 0.742 482 K HN 0.203 nan 8.250 nan 0.000 0.458 483 N N 0.057 118.615 118.700 -0.237 0.000 2.409 483 N HA -0.051 4.688 4.740 -0.001 0.000 0.179 483 N C 0.753 176.287 175.510 0.040 0.000 1.032 483 N CA 0.821 53.786 53.050 -0.140 0.000 0.898 483 N CB -0.008 38.336 38.487 -0.238 0.000 0.971 483 N HN 0.387 nan 8.380 nan 0.000 0.441 484 W N 0.366 121.676 121.300 0.017 0.000 2.539 484 W HA 0.307 4.967 4.660 -0.001 0.000 0.281 484 W C 1.769 178.289 176.519 0.000 0.000 1.220 484 W CA -0.257 57.091 57.345 0.004 0.000 1.332 484 W CB -0.922 28.518 29.460 -0.032 0.000 1.095 484 W HN 0.022 nan 8.180 nan 0.000 0.571 485 I N 0.534 121.213 120.570 0.182 0.000 2.142 485 I HA -0.289 3.881 4.170 -0.001 0.000 0.240 485 I C 2.719 178.954 176.117 0.196 0.000 1.078 485 I CA 1.514 62.874 61.300 0.100 0.000 1.343 485 I CB -0.603 37.456 38.000 0.097 0.000 1.046 485 I HN -0.171 nan 8.210 nan 0.000 0.405 486 R N 0.878 121.494 120.500 0.193 0.000 2.096 486 R HA -0.224 4.116 4.340 -0.001 0.000 0.240 486 R C 1.813 178.225 176.300 0.186 0.000 1.139 486 R CA 2.198 58.415 56.100 0.195 0.000 0.952 486 R CB -0.221 30.143 30.300 0.106 0.000 0.854 486 R HN 0.300 nan 8.270 nan 0.000 0.436 487 D N -0.941 119.561 120.400 0.171 0.000 2.219 487 D HA -0.148 4.492 4.640 -0.001 0.000 0.205 487 D C 1.347 177.739 176.300 0.154 0.000 0.970 487 D CA 0.881 54.971 54.000 0.151 0.000 0.851 487 D CB -0.098 40.800 40.800 0.163 0.000 0.943 487 D HN 0.212 nan 8.370 nan 0.000 0.488 488 F N -0.085 119.865 119.950 0.000 0.000 2.098 488 F HA -0.183 4.344 4.527 -0.000 0.000 0.294 488 F C 1.775 177.544 175.800 -0.051 0.000 1.107 488 F CA 1.136 59.086 58.000 -0.083 0.000 1.234 488 F CB -0.368 38.506 39.000 -0.209 0.000 1.002 488 F HN -0.094 nan 8.300 nan 0.000 0.472 489 Y N 0.753 121.113 120.300 0.100 0.000 2.333 489 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 489 Y C 1.565 177.421 175.900 -0.073 0.000 1.144 489 Y CA 1.603 59.688 58.100 -0.025 0.000 1.228 489 Y CB -1.114 37.405 38.460 0.098 0.000 0.985 489 Y HN 0.162 nan 8.280 nan 0.000 0.542 490 D N -0.700 119.767 120.400 0.111 0.000 2.352 490 D HA 0.134 4.774 4.640 -0.001 0.000 0.236 490 D C -0.094 176.204 176.300 -0.003 0.000 1.148 490 D CA 0.191 54.221 54.000 0.050 0.000 0.844 490 D CB 0.216 41.051 40.800 0.060 0.000 0.933 490 D HN 0.009 nan 8.370 nan 0.000 0.507 491 S N 0.000 115.662 115.700 -0.063 0.000 2.498 491 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 491 S CA 0.000 58.144 58.200 -0.093 0.000 1.107 491 S CB 0.000 63.157 63.200 -0.071 0.000 0.593 491 S HN 0.000 nan 8.310 nan 0.000 0.517