============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 25 0.840 8.696 25.819 76.113 -99.200 -91.000 TYR 28 0.840 18.195 27.828 81.249 -99.200 -91.000 HIS 41 0.900 2.990 5.998 103.667 -99.200 -91.000 HIS 61 0.900 18.813 7.801 96.977 -99.200 -91.000 HIS 64 0.900 9.097 3.124 94.112 -99.200 -91.000 HIS 71 0.900 8.000 25.284 89.076 -99.200 -91.000 TRP 74 1.040 13.364 33.243 83.932 -99.200 -91.000 TRP6 74 1.020 12.063 35.211 84.108 -99.200 -91.000 HIS 77 0.900 7.886 37.916 92.705 -99.200 -91.000 HIS 86 0.900 7.215 27.108 92.027 -99.200 -91.000 HIS 88 0.900 7.963 27.049 97.188 -99.200 -91.000 HIS 92 0.900 -2.841 19.422 105.153 -99.200 -91.000 HIS 97 0.900 2.282 30.722 90.747 -99.200 -91.000 HIS 104 0.900 5.081 39.142 96.738 -99.200 -91.000 TYR 116 0.840 -1.159 29.046 107.517 -99.200 -91.000 PHE 118 1.000 4.137 32.994 103.823 -99.200 -91.000 HIS 129 0.900 2.403 28.527 104.152 -99.200 -91.000 TRP 133 1.040 -7.513 30.914 106.540 -99.200 -91.000 TRP6 133 1.020 -7.362 31.191 108.880 -99.200 -91.000 TYR 156 0.840 -4.814 32.309 89.422 -99.200 -91.000 HIS 165 0.900 -8.280 13.539 101.717 -99.200 -91.000 PHE 188 1.000 -1.296 11.181 82.218 -99.200 -91.000 PHE 203 1.000 -2.899 16.819 74.496 -99.200 -91.000 PHE 205 1.000 -5.765 23.191 74.021 -99.200 -91.000 PHE 222 1.000 -16.843 22.448 89.320 -99.200 -91.000 TYR 240 0.840 9.594 17.232 72.396 -99.200 -91.000 TYR 248 0.840 26.516 22.301 62.945 -99.200 -91.000 HIS 250 0.900 28.521 25.516 72.224 -99.200 -91.000 TYR 251 0.840 20.768 21.502 71.522 -99.200 -91.000 TYR 257 0.840 27.896 27.084 60.427 -99.200 -91.000 HIS 273 0.900 1.746 30.449 36.961 -99.200 -91.000 HIS 294 0.900 -1.885 50.875 61.998 -99.200 -91.000 TYR 304 0.840 10.403 46.411 69.636 -99.200 -91.000 TYR 312 0.840 13.482 51.294 59.013 -99.200 -91.000 TRP 313 1.040 11.929 44.923 54.295 -99.200 -91.000 TRP6 313 1.020 12.269 42.888 55.457 -99.200 -91.000 PHE 314 1.000 4.306 44.648 56.815 -99.200 -91.000 PHE 330 1.000 -1.448 47.617 72.013 -99.200 -91.000 TYR 332 0.840 -0.039 45.918 81.831 -99.200 -91.000 TYR 367 0.840 -5.815 46.255 67.096 -99.200 -91.000 PHE 405 1.000 16.178 39.088 63.421 -99.200 -91.000 HIS 431 0.900 9.900 39.174 38.987 -99.200 -91.000 HIS 435 0.900 16.143 37.722 41.545 -99.200 -91.000 PHE 461 1.000 34.350 42.584 69.618 -99.200 -91.000 HIS 465 0.900 35.052 43.613 81.109 -99.200 -91.000 HIS 466 0.900 31.736 49.163 78.856 -99.200 -91.000 PHE 469 1.000 26.707 44.903 68.109 -99.200 -91.000 TYR 476 0.840 17.396 51.735 65.228 -99.200 -91.000 TYR 491 0.840 26.719 35.943 80.424 -99.200 -91.000 HIS 493 0.900 25.955 47.975 79.237 -99.200 -91.000 TYR 497 0.840 23.671 54.299 71.323 -99.200 -91.000 HIS 504 0.900 21.633 64.469 67.676 -99.200 -91.000 TYR 544 0.840 36.442 45.386 65.954 -99.200 -91.000 PHE 546 1.000 30.772 41.935 61.001 -99.200 -91.000 PHE 553 1.000 32.946 51.162 54.976 -99.200 -91.000 HIS 560 0.900 40.564 45.965 63.655 -99.200 -91.000 HIS 566 0.900 25.230 44.707 45.894 -99.200 -91.000 PHE 575 1.000 24.659 38.610 52.729 -99.200 -91.000 TYR 576 0.840 25.203 43.512 55.131 -99.200 -91.000 TYR 585 0.840 29.058 29.314 68.515 -99.200 -91.000 HIS 586 0.900 33.086 31.751 66.038 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j6hA1 CYS 1 HA -0.17 0.01 0.23 -0.75 4.58 3.89 2j6hA1 CYS 1 HB2 -0.04 -0.12 0.14 -0.04 2.97 2.91 2j6hA1 CYS 1 HB3 -0.46 0.11 0.19 -0.04 2.97 2.77 2j6hA1 GLY 2 H -0.37 0.51 0.34 -0.55 8.43 8.37 2j6hA1 GLY 2 HA2 -0.11 0.10 0.88 -0.51 4.01 4.37 2j6hA1 GLY 2 HA3 -0.15 0.01 0.33 -0.51 4.01 3.68 2j6hA1 ILE 3 H -0.00 0.13 0.25 -0.55 8.25 8.08 2j6hA1 ILE 3 HA 0.07 0.38 1.14 -0.75 4.18 5.01 2j6hA1 ILE 3 HB 0.12 0.04 -0.03 -0.04 1.89 1.97 2j6hA1 ILE 3 HG12 0.05 -0.05 0.04 -0.04 1.49 1.50 2j6hA1 ILE 3 HG13 0.07 -0.09 -0.26 -0.04 1.21 0.89 2j6hA1 ILE 3 HG23 0.22 0.02 -0.34 -0.04 0.93 0.79 2j6hA1 ILE 3 HD13 0.11 0.08 -0.28 -0.04 0.88 0.75 2j6hA1 VAL 4 H 0.08 0.52 0.31 -0.55 8.24 8.59 2j6hA1 VAL 4 HA 0.07 0.24 0.94 -0.75 4.13 4.62 2j6hA1 VAL 4 HB 0.06 -0.05 -0.09 -0.04 2.12 2.01 2j6hA1 VAL 4 HG13 0.07 0.02 0.00 -0.04 0.97 1.01 2j6hA1 VAL 4 HG23 0.02 0.00 -0.31 -0.04 0.95 0.62 2j6hA1 GLY 5 H 0.11 0.66 0.39 -0.55 8.43 9.04 2j6hA1 GLY 5 HA2 0.08 0.23 0.89 -0.51 4.01 4.70 2j6hA1 GLY 5 HA3 0.08 -0.01 0.33 -0.51 4.01 3.90 2j6hA1 ALA 6 H 0.06 0.62 0.34 -0.55 8.40 8.88 2j6hA1 ALA 6 HA -0.02 0.21 0.84 -0.75 4.34 4.62 2j6hA1 ALA 6 HB3 0.28 -0.01 -0.11 -0.04 1.41 1.53 2j6hA1 ILE 7 H -0.40 0.54 0.28 -0.55 8.25 8.12 2j6hA1 ILE 7 HA -0.06 0.40 1.11 -0.75 4.18 4.88 2j6hA1 ILE 7 HB -0.05 0.02 -0.19 -0.04 1.89 1.63 2j6hA1 ILE 7 HG12 -0.07 -0.17 -0.15 -0.04 1.49 1.07 2j6hA1 ILE 7 HG13 -0.04 0.12 0.07 -0.04 1.21 1.32 2j6hA1 ILE 7 HG23 -0.14 -0.03 -0.17 -0.04 0.93 0.55 2j6hA1 ILE 7 HD13 -0.02 -0.01 -0.21 -0.04 0.88 0.60 2j6hA1 ALA 8 H -0.03 0.76 0.36 -0.55 8.40 8.94 2j6hA1 ALA 8 HA -0.07 0.16 0.82 -0.75 4.34 4.50 2j6hA1 ALA 8 HB3 -0.00 -0.01 -0.03 -0.04 1.41 1.33 2j6hA1 GLN 9 H 0.00 0.10 0.22 -0.55 8.47 8.24 2j6hA1 GLN 9 HA 0.00 0.17 0.99 -0.75 4.36 4.77 2j6hA1 GLN 9 HB2 0.01 -0.03 0.17 -0.04 2.15 2.25 2j6hA1 GLN 9 HB3 0.00 -0.02 0.12 -0.04 2.02 2.08 2j6hA1 GLN 9 HG2 -0.01 0.03 -0.03 -0.04 2.40 2.35 2j6hA1 GLN 9 HG3 -0.01 0.08 0.11 -0.04 2.39 2.53 2j6hA1 GLN 9 HE21 -0.00 -0.01 0.03 -0.04 6.97 6.95 2j6hA1 GLN 9 HE22 -0.00 -0.01 0.05 -0.04 7.69 7.68 2j6hA1 ARG 10 H 0.03 0.01 0.11 -0.55 8.46 8.06 2j6hA1 ARG 10 HA 0.03 0.06 0.52 -0.75 4.34 4.20 2j6hA1 ARG 10 HB2 0.04 -0.00 0.13 -0.04 1.90 2.03 2j6hA1 ARG 10 HB3 0.03 -0.01 0.12 -0.04 1.80 1.91 2j6hA1 ARG 10 HG2 0.06 -0.13 0.09 -0.04 1.67 1.65 2j6hA1 ARG 10 HG3 0.07 0.13 -0.27 -0.04 1.67 1.56 2j6hA1 ARG 10 HD2 0.06 0.04 -0.02 -0.04 3.22 3.26 2j6hA1 ARG 10 HD3 0.05 -0.01 0.02 -0.04 3.22 3.24 2j6hA1 ASP 11 H 0.05 0.05 0.13 -0.55 8.40 8.09 2j6hA1 ASP 11 HA 0.07 0.35 0.47 -0.75 4.63 4.77 2j6hA1 ASP 11 HB2 0.08 -0.02 0.14 -0.04 2.71 2.87 2j6hA1 ASP 11 HB3 0.09 -0.07 0.04 -0.04 2.70 2.71 2j6hA1 VAL 12 H 0.07 0.34 0.19 -0.55 8.24 8.28 2j6hA1 VAL 12 HA 0.10 0.16 0.75 -0.75 4.13 4.39 2j6hA1 VAL 12 HB 0.13 -0.09 -0.08 -0.04 2.12 2.04 2j6hA1 VAL 12 HG13 0.11 0.07 -0.31 -0.04 0.97 0.80 2j6hA1 VAL 12 HG23 0.06 0.07 -0.36 -0.04 0.95 0.68 2j6hA1 ALA 13 H 0.05 0.15 -0.03 -0.55 8.40 8.02 2j6hA1 ALA 13 HA 0.04 0.09 0.24 -0.75 4.34 3.95 2j6hA1 ALA 13 HB3 0.02 0.05 0.05 -0.04 1.41 1.48 2j6hA1 GLU 14 H 0.03 0.13 -0.25 -0.55 8.60 7.97 2j6hA1 GLU 14 HA 0.02 0.08 0.37 -0.75 4.29 4.01 2j6hA1 GLU 14 HB2 0.02 0.02 -0.06 -0.04 2.09 2.04 2j6hA1 GLU 14 HB3 0.01 0.03 -0.04 -0.04 1.99 1.95 2j6hA1 GLU 14 HG2 0.03 -0.07 -0.02 -0.04 2.34 2.24 2j6hA1 GLU 14 HG3 0.02 0.05 -0.04 -0.04 2.34 2.34 2j6hA1 ILE 15 H 0.04 0.10 -0.31 -0.55 8.25 7.53 2j6hA1 ILE 15 HA -0.02 0.04 0.41 -0.75 4.18 3.86 2j6hA1 ILE 15 HB 0.09 0.08 0.06 -0.04 1.89 2.07 2j6hA1 ILE 15 HG12 -0.07 0.03 -0.06 -0.04 1.49 1.35 2j6hA1 ILE 15 HG13 0.01 -0.09 -0.04 -0.04 1.21 1.05 2j6hA1 ILE 15 HG23 -0.08 0.01 -0.19 -0.04 0.93 0.63 2j6hA1 ILE 15 HD13 0.10 0.02 -0.05 -0.04 0.88 0.91 2j6hA1 LEU 16 H 0.05 0.74 -0.21 -0.55 8.37 8.41 2j6hA1 LEU 16 HA 0.04 0.00 0.28 -0.75 4.35 3.92 2j6hA1 LEU 16 HB2 0.04 0.13 -0.04 -0.04 1.64 1.74 2j6hA1 LEU 16 HB3 0.05 -0.06 -0.23 -0.04 1.64 1.36 2j6hA1 LEU 16 HG 0.08 0.09 -0.21 -0.04 1.64 1.56 2j6hA1 LEU 16 HD13 0.05 -0.01 -0.39 -0.04 0.93 0.54 2j6hA1 LEU 16 HD23 0.09 0.01 -0.40 -0.04 0.89 0.55 2j6hA1 LEU 17 H 0.02 0.50 -0.29 -0.55 8.37 8.06 2j6hA1 LEU 17 HA 0.02 0.04 0.37 -0.75 4.35 4.02 2j6hA1 LEU 17 HB2 0.01 0.06 0.07 -0.04 1.64 1.74 2j6hA1 LEU 17 HB3 0.01 -0.08 -0.05 -0.04 1.64 1.48 2j6hA1 LEU 17 HG 0.02 0.12 -0.06 -0.04 1.64 1.68 2j6hA1 LEU 17 HD13 0.01 -0.02 -0.16 -0.04 0.93 0.72 2j6hA1 LEU 17 HD23 0.02 -0.01 -0.18 -0.04 0.89 0.68 2j6hA1 GLU 18 H -0.00 0.65 -0.09 -0.55 8.60 8.61 2j6hA1 GLU 18 HA -0.01 -0.03 0.39 -0.75 4.29 3.89 2j6hA1 GLU 18 HB2 -0.02 -0.01 0.06 -0.04 2.09 2.09 2j6hA1 GLU 18 HB3 -0.04 0.14 0.11 -0.04 1.99 2.16 2j6hA1 GLU 18 HG2 -0.05 -0.00 -0.05 -0.04 2.34 2.19 2j6hA1 GLU 18 HG3 -0.09 0.06 -0.21 -0.04 2.34 2.05 2j6hA1 GLY 19 H -0.03 0.52 -0.26 -0.55 8.43 8.12 2j6hA1 GLY 19 HA2 -0.07 0.06 0.43 -0.51 4.01 3.93 2j6hA1 GLY 19 HA3 -0.02 0.09 0.22 -0.51 4.01 3.79 2j6hA1 LEU 20 H -0.00 0.46 -0.35 -0.55 8.37 7.94 2j6hA1 LEU 20 HA -0.02 -0.02 0.25 -0.75 4.35 3.81 2j6hA1 LEU 20 HB2 0.01 0.17 0.11 -0.04 1.64 1.88 2j6hA1 LEU 20 HB3 0.00 -0.09 -0.06 -0.04 1.64 1.45 2j6hA1 LEU 20 HG 0.02 0.27 -0.07 -0.04 1.64 1.81 2j6hA1 LEU 20 HD13 0.02 0.00 -0.09 -0.04 0.93 0.82 2j6hA1 LEU 20 HD23 -0.01 -0.05 -0.37 -0.04 0.89 0.43 2j6hA1 ARG 21 H -0.00 0.57 -0.15 -0.55 8.46 8.32 2j6hA1 ARG 21 HA 0.03 -0.07 0.40 -0.75 4.34 3.96 2j6hA1 ARG 21 HB2 0.00 0.23 0.14 -0.04 1.90 2.23 2j6hA1 ARG 21 HB3 0.05 -0.06 0.01 -0.04 1.80 1.75 2j6hA1 ARG 21 HG2 0.03 -0.12 -0.02 -0.04 1.67 1.52 2j6hA1 ARG 21 HG3 0.01 0.21 0.01 -0.04 1.67 1.86 2j6hA1 ARG 21 HD2 0.02 0.03 -0.03 -0.04 3.22 3.20 2j6hA1 ARG 21 HD3 0.04 -0.03 -0.04 -0.04 3.22 3.15 2j6hA1 ARG 22 H -0.04 0.49 -0.41 -0.55 8.46 7.95 2j6hA1 ARG 22 HA 0.05 0.02 0.26 -0.75 4.34 3.92 2j6hA1 ARG 22 HB2 -0.15 0.19 0.10 -0.04 1.90 1.99 2j6hA1 ARG 22 HB3 -0.25 -0.16 -0.10 -0.04 1.80 1.25 2j6hA1 ARG 22 HG2 -1.16 -0.08 -0.10 -0.04 1.67 0.29 2j6hA1 ARG 22 HG3 -0.28 0.06 -0.06 -0.04 1.67 1.34 2j6hA1 ARG 22 HD2 -0.33 0.08 -0.08 -0.04 3.22 2.86 2j6hA1 ARG 22 HD3 -0.84 0.06 -0.19 -0.04 3.22 2.22 2j6hA1 LEU 23 H 0.03 0.40 -0.48 -0.55 8.37 7.77 2j6hA1 LEU 23 HA 0.23 0.11 0.90 -0.75 4.35 4.83 2j6hA1 LEU 23 HB2 -0.04 0.09 0.03 -0.04 1.64 1.68 2j6hA1 LEU 23 HB3 -0.11 -0.09 0.17 -0.04 1.64 1.57 2j6hA1 LEU 23 HG 0.02 0.18 -0.17 -0.04 1.64 1.63 2j6hA1 LEU 23 HD13 -0.01 -0.05 -0.06 -0.04 0.93 0.77 2j6hA1 LEU 23 HD23 0.12 -0.01 -0.03 -0.04 0.89 0.93 2j6hA1 GLU 24 H 0.08 0.43 -0.23 -0.55 8.60 8.32 2j6hA1 GLU 24 HA 0.01 0.18 0.48 -0.75 4.29 4.21 2j6hA1 GLU 24 HB2 0.06 0.13 0.22 -0.04 2.09 2.46 2j6hA1 GLU 24 HB3 0.09 0.03 0.05 -0.04 1.99 2.12 2j6hA1 GLU 24 HG2 0.17 -0.04 -0.02 -0.04 2.34 2.41 2j6hA1 GLU 24 HG3 0.12 0.10 0.15 -0.04 2.34 2.67 2j6hA1 TYR 25 H 0.32 0.20 -0.45 -0.55 8.29 7.81 2j6hA1 TYR 25 HA 0.04 0.04 0.45 -0.75 4.56 4.33 2j6hA1 TYR 25 HB2 -0.02 -0.06 0.08 -0.04 3.06 3.02 2j6hA1 TYR 25 HB3 -0.00 0.06 0.05 -0.04 2.98 3.04 2j6hA1 TYR 25 HD2 -0.01 -0.03 -0.12 -0.04 7.15 6.94 2j6hA1 TYR 25 HE2 -0.02 -0.02 -0.02 -0.04 6.85 6.74 2j6hA1 ARG 26 H -0.42 0.54 -0.58 -0.55 8.46 7.45 2j6hA1 ARG 26 HA -0.41 0.14 0.60 -0.75 4.34 3.91 2j6hA1 ARG 26 HB2 -0.35 0.08 -0.09 -0.04 1.90 1.51 2j6hA1 ARG 26 HB3 -0.29 0.16 -0.01 -0.04 1.80 1.61 2j6hA1 ARG 26 HG2 -0.72 -0.07 -0.10 -0.04 1.67 0.74 2j6hA1 ARG 26 HG3 -1.79 -0.13 -0.09 -0.04 1.67 -0.38 2j6hA1 ARG 26 HD2 -0.18 -0.12 -0.01 -0.04 3.22 2.87 2j6hA1 ARG 26 HD3 -0.25 -0.06 0.03 -0.04 3.22 2.91 2j6hA1 GLY 27 H -0.09 0.43 -0.23 -0.55 8.43 7.99 2j6hA1 GLY 27 HA2 -0.16 -0.03 0.38 -0.51 4.01 3.70 2j6hA1 GLY 27 HA3 -0.05 0.03 0.01 -0.51 4.01 3.49 2j6hA1 TYR 28 H -0.53 0.21 0.24 -0.55 8.29 7.65 2j6hA1 TYR 28 HA 0.01 0.17 0.93 -0.75 4.56 4.91 2j6hA1 TYR 28 HB2 0.03 -0.10 0.23 -0.04 3.06 3.18 2j6hA1 TYR 28 HB3 0.02 0.02 0.06 -0.04 2.98 3.04 2j6hA1 TYR 28 HD2 0.04 0.02 -0.05 -0.04 7.15 7.11 2j6hA1 TYR 28 HE2 0.04 -0.01 -0.07 -0.04 6.85 6.78 2j6hA1 ASP 29 H -0.04 0.73 0.29 -0.55 8.40 8.82 2j6hA1 ASP 29 HA 0.05 0.07 0.51 -0.75 4.63 4.51 2j6hA1 ASP 29 HB2 -0.06 0.06 0.07 -0.04 2.71 2.74 2j6hA1 ASP 29 HB3 -0.05 -0.06 0.07 -0.04 2.70 2.63 2j6hA1 SER 30 H 0.01 0.22 0.20 -0.55 8.46 8.35 2j6hA1 SER 30 HA 0.04 0.21 0.78 -0.75 4.49 4.77 2j6hA1 SER 30 HB2 0.03 0.12 0.07 -0.04 3.95 4.13 2j6hA1 SER 30 HB3 0.02 -0.04 -0.18 -0.04 3.93 3.70 2j6hA1 ALA 31 H 0.04 0.57 0.35 -0.55 8.40 8.81 2j6hA1 ALA 31 HA 0.06 0.17 0.74 -0.75 4.34 4.55 2j6hA1 ALA 31 HB3 0.03 -0.01 0.03 -0.04 1.41 1.41 2j6hA1 GLY 32 H 0.09 0.50 0.43 -0.55 8.43 8.90 2j6hA1 GLY 32 HA2 0.03 0.17 0.85 -0.51 4.01 4.54 2j6hA1 GLY 32 HA3 0.03 0.24 0.62 -0.51 4.01 4.39 2j6hA1 LEU 33 H 0.02 0.60 0.45 -0.55 8.37 8.89 2j6hA1 LEU 33 HA 0.05 0.17 0.77 -0.75 4.35 4.58 2j6hA1 LEU 33 HB2 0.04 0.06 0.10 -0.04 1.64 1.80 2j6hA1 LEU 33 HB3 0.04 -0.04 -0.18 -0.04 1.64 1.42 2j6hA1 LEU 33 HG 0.02 0.01 -0.29 -0.04 1.64 1.33 2j6hA1 LEU 33 HD13 0.03 -0.02 -0.13 -0.04 0.93 0.76 2j6hA1 LEU 33 HD23 0.02 0.01 -0.03 -0.04 0.89 0.85 2j6hA1 ALA 34 H 0.03 0.70 0.36 -0.55 8.40 8.95 2j6hA1 ALA 34 HA 0.01 0.31 0.99 -0.75 4.34 4.90 2j6hA1 ALA 34 HB3 0.01 -0.02 -0.00 -0.04 1.41 1.36 2j6hA1 VAL 35 H 0.02 0.50 0.30 -0.55 8.24 8.50 2j6hA1 VAL 35 HA 0.03 0.36 1.17 -0.75 4.13 4.94 2j6hA1 VAL 35 HB 0.04 0.02 -0.13 -0.04 2.12 2.01 2j6hA1 VAL 35 HG13 0.03 -0.03 -0.27 -0.04 0.97 0.66 2j6hA1 VAL 35 HG23 0.03 0.02 -0.25 -0.04 0.95 0.71 2j6hA1 VAL 36 H 0.03 0.64 0.33 -0.55 8.24 8.70 2j6hA1 VAL 36 HA 0.05 0.38 0.97 -0.75 4.13 4.77 2j6hA1 VAL 36 HB 0.02 -0.06 0.06 -0.04 2.12 2.10 2j6hA1 VAL 36 HG13 0.01 0.09 -0.20 -0.04 0.97 0.83 2j6hA1 VAL 36 HG23 0.03 -0.01 -0.29 -0.04 0.95 0.63 2j6hA1 ASP 37 H 0.04 0.42 0.30 -0.55 8.40 8.61 2j6hA1 ASP 37 HA 0.02 0.05 1.01 -0.75 4.63 4.96 2j6hA1 ASP 37 HB2 0.01 -0.11 0.22 -0.04 2.71 2.79 2j6hA1 ASP 37 HB3 0.06 0.19 0.04 -0.04 2.70 2.95 2j6hA1 ALA 38 H -0.02 0.17 0.20 -0.55 8.40 8.21 2j6hA1 ALA 38 HA -0.03 0.14 0.39 -0.75 4.34 4.09 2j6hA1 ALA 38 HB3 -0.03 0.02 0.13 -0.04 1.41 1.50 2j6hA1 GLU 39 H -0.15 -0.04 -0.38 -0.55 8.60 7.48 2j6hA1 GLU 39 HA -0.15 0.20 0.67 -0.75 4.29 4.26 2j6hA1 GLU 39 HB2 -0.35 -0.09 0.07 -0.04 2.09 1.68 2j6hA1 GLU 39 HB3 -1.06 0.02 -0.01 -0.04 1.99 0.89 2j6hA1 GLU 39 HG2 -0.17 -0.01 0.03 -0.04 2.34 2.14 2j6hA1 GLU 39 HG3 -0.21 0.04 0.09 -0.04 2.34 2.22 2j6hA1 GLY 40 H -0.10 0.43 -0.27 -0.55 8.43 7.94 2j6hA1 GLY 40 HA2 -0.04 0.21 0.32 -0.51 4.01 4.00 2j6hA1 GLY 40 HA3 -0.06 0.14 0.62 -0.51 4.01 4.19 2j6hA1 HIS 41 H -0.07 -0.11 -0.13 -0.55 8.41 7.56 2j6hA1 HIS 41 HA 0.00 0.14 0.51 -0.75 4.63 4.52 2j6hA1 HIS 41 HB2 0.02 -0.14 0.14 -0.04 3.26 3.23 2j6hA1 HIS 41 HB3 0.01 0.09 -0.01 -0.04 3.20 3.26 2j6hA1 HIS 41 HD2 -0.00 0.10 -0.22 -0.04 6.97 6.80 2j6hA1 HIS 41 HE1 0.00 -0.01 -0.01 -0.04 7.75 7.70 2j6hA1 MET 42 H 0.08 0.17 0.22 -0.55 8.47 8.39 2j6hA1 MET 42 HA 0.05 0.32 0.99 -0.75 4.52 5.12 2j6hA1 MET 42 HB2 0.04 0.01 -0.02 -0.04 2.15 2.14 2j6hA1 MET 42 HB3 0.03 -0.04 -0.01 -0.04 2.03 1.97 2j6hA1 MET 42 HG2 0.02 0.16 -0.11 -0.04 2.63 2.66 2j6hA1 MET 42 HG3 0.02 -0.06 -0.22 -0.04 2.56 2.27 2j6hA1 MET 42 HE3 0.01 0.01 -0.12 -0.04 2.10 1.96 2j6hA1 THR 43 H 0.03 0.75 0.35 -0.55 8.28 8.86 2j6hA1 THR 43 HA 0.01 0.16 0.93 -0.75 4.39 4.73 2j6hA1 THR 43 HB 0.01 -0.09 0.18 -0.04 4.32 4.39 2j6hA1 THR 43 HG23 -0.00 0.02 -0.04 -0.04 1.22 1.15 2j6hA1 ARG 44 H -0.00 0.21 0.13 -0.55 8.46 8.24 2j6hA1 ARG 44 HA 0.00 0.24 1.20 -0.75 4.34 5.03 2j6hA1 ARG 44 HB2 -0.01 -0.04 -0.05 -0.04 1.90 1.76 2j6hA1 ARG 44 HB3 -0.02 -0.01 0.07 -0.04 1.80 1.80 2j6hA1 ARG 44 HG2 -0.02 0.00 -0.22 -0.04 1.67 1.38 2j6hA1 ARG 44 HG3 -0.02 0.03 -0.00 -0.04 1.67 1.65 2j6hA1 ARG 44 HD2 -0.07 0.25 -0.12 -0.04 3.22 3.24 2j6hA1 ARG 44 HD3 -0.04 -0.09 -0.17 -0.04 3.22 2.88 2j6hA1 LEU 45 H 0.00 0.64 0.35 -0.55 8.37 8.81 2j6hA1 LEU 45 HA -0.00 0.15 0.93 -0.75 4.35 4.67 2j6hA1 LEU 45 HB2 0.01 0.02 -0.14 -0.04 1.64 1.48 2j6hA1 LEU 45 HB3 0.01 -0.07 0.09 -0.04 1.64 1.64 2j6hA1 LEU 45 HG 0.01 0.00 -0.22 -0.04 1.64 1.39 2j6hA1 LEU 45 HD13 0.01 0.01 0.01 -0.04 0.93 0.91 2j6hA1 LEU 45 HD23 0.02 -0.01 -0.20 -0.04 0.89 0.66 2j6hA1 ARG 46 H -0.00 0.25 0.21 -0.55 8.46 8.36 2j6hA1 ARG 46 HA 0.01 0.27 1.22 -0.75 4.34 5.08 2j6hA1 ARG 46 HB2 -0.01 -0.07 -0.04 -0.04 1.90 1.74 2j6hA1 ARG 46 HB3 -0.01 0.00 -0.03 -0.04 1.80 1.72 2j6hA1 ARG 46 HG2 -0.02 0.08 -0.30 -0.04 1.67 1.39 2j6hA1 ARG 46 HG3 -0.03 -0.16 -0.45 -0.04 1.67 0.99 2j6hA1 ARG 46 HD2 -0.10 0.09 -0.37 -0.04 3.22 2.80 2j6hA1 ARG 46 HD3 -0.11 0.13 -0.33 -0.04 3.22 2.86 2j6hA1 ARG 47 H 0.02 0.71 0.35 -0.55 8.46 8.99 2j6hA1 ARG 47 HA 0.02 0.07 0.78 -0.75 4.34 4.45 2j6hA1 ARG 47 HB2 0.03 -0.07 -0.16 -0.04 1.90 1.66 2j6hA1 ARG 47 HB3 0.03 0.10 -0.16 -0.04 1.80 1.73 2j6hA1 ARG 47 HG2 0.02 0.03 -0.68 -0.04 1.67 1.00 2j6hA1 ARG 47 HG3 0.02 -0.01 -0.27 -0.04 1.67 1.37 2j6hA1 ARG 47 HD2 0.02 -0.02 0.03 -0.04 3.22 3.20 2j6hA1 ARG 47 HD3 0.02 0.05 0.22 -0.04 3.22 3.46 2j6hA1 LEU 48 H 0.02 0.11 0.14 -0.55 8.37 8.09 2j6hA1 LEU 48 HA 0.03 0.06 0.58 -0.75 4.35 4.26 2j6hA1 LEU 48 HB2 0.02 -0.19 0.08 -0.04 1.64 1.51 2j6hA1 LEU 48 HB3 0.02 0.01 0.19 -0.04 1.64 1.82 2j6hA1 LEU 48 HG 0.03 0.08 -0.21 -0.04 1.64 1.49 2j6hA1 LEU 48 HD13 0.02 0.03 -0.19 -0.04 0.93 0.75 2j6hA1 LEU 48 HD23 0.02 -0.01 0.00 -0.04 0.89 0.86 2j6hA1 GLY 49 H 0.05 0.60 0.38 -0.55 8.43 8.91 2j6hA1 GLY 49 HA2 0.07 0.03 0.31 -0.51 4.01 3.91 2j6hA1 GLY 49 HA3 0.05 0.11 0.87 -0.51 4.01 4.52 2j6hA1 LYS 50 H 0.06 0.05 0.15 -0.55 8.42 8.13 2j6hA1 LYS 50 HA 0.12 0.22 0.42 -0.75 4.32 4.32 2j6hA1 LYS 50 HB2 0.04 -0.12 0.09 -0.04 1.87 1.83 2j6hA1 LYS 50 HB3 0.05 -0.01 0.18 -0.04 1.79 1.97 2j6hA1 LYS 50 HG2 0.11 0.21 0.11 -0.04 1.46 1.85 2j6hA1 LYS 50 HG3 0.06 -0.05 0.17 -0.04 1.46 1.60 2j6hA1 LYS 50 HD2 -0.01 -0.05 0.05 -0.04 1.69 1.64 2j6hA1 LYS 50 HD3 -0.12 0.00 0.06 -0.04 1.68 1.58 2j6hA1 LYS 50 HE2 -0.00 -0.01 0.05 -0.04 2.99 2.98 2j6hA1 LYS 50 HE3 -0.11 -0.01 0.04 -0.04 2.99 2.87 2j6hA1 VAL 51 H 0.07 0.21 0.16 -0.55 8.24 8.13 2j6hA1 VAL 51 HA 0.03 0.13 0.27 -0.75 4.13 3.80 2j6hA1 VAL 51 HB 0.04 -0.02 0.06 -0.04 2.12 2.15 2j6hA1 VAL 51 HG13 0.02 -0.00 -0.20 -0.04 0.97 0.75 2j6hA1 VAL 51 HG23 0.03 0.06 -0.03 -0.04 0.95 0.97 2j6hA1 GLN 52 H 0.03 0.07 -0.36 -0.55 8.47 7.66 2j6hA1 GLN 52 HA 0.03 0.06 0.29 -0.75 4.36 3.98 2j6hA1 GLN 52 HB2 0.03 0.02 0.03 -0.04 2.15 2.19 2j6hA1 GLN 52 HB3 0.03 -0.01 -0.01 -0.04 2.02 1.98 2j6hA1 GLN 52 HG2 0.02 0.03 -0.06 -0.04 2.40 2.35 2j6hA1 GLN 52 HG3 0.02 0.03 -0.26 -0.04 2.39 2.14 2j6hA1 GLN 52 HE21 0.02 0.03 -0.06 -0.04 6.97 6.92 2j6hA1 GLN 52 HE22 0.02 0.03 -0.06 -0.04 7.69 7.64 2j6hA1 MET 53 H 0.03 0.30 -0.24 -0.55 8.47 8.01 2j6hA1 MET 53 HA 0.03 0.03 0.40 -0.75 4.52 4.22 2j6hA1 MET 53 HB2 0.03 -0.10 0.07 -0.04 2.15 2.11 2j6hA1 MET 53 HB3 0.03 0.18 -0.10 -0.04 2.03 2.11 2j6hA1 MET 53 HG2 0.03 0.25 -0.11 -0.04 2.63 2.77 2j6hA1 MET 53 HG3 0.03 -0.04 -0.23 -0.04 2.56 2.27 2j6hA1 MET 53 HE3 0.03 -0.02 0.06 -0.04 2.10 2.13 2j6hA1 LEU 54 H 0.03 0.28 -0.30 -0.55 8.37 7.84 2j6hA1 LEU 54 HA 0.02 0.04 0.30 -0.75 4.35 3.96 2j6hA1 LEU 54 HB2 0.03 0.03 -0.04 -0.04 1.64 1.63 2j6hA1 LEU 54 HB3 0.03 0.13 0.04 -0.04 1.64 1.80 2j6hA1 LEU 54 HG 0.02 -0.04 -0.30 -0.04 1.64 1.27 2j6hA1 LEU 54 HD13 0.02 0.02 -0.15 -0.04 0.93 0.77 2j6hA1 LEU 54 HD23 0.03 -0.02 -0.33 -0.04 0.89 0.53 2j6hA1 ALA 55 H 0.02 0.51 -0.12 -0.55 8.40 8.27 2j6hA1 ALA 55 HA 0.02 -0.00 0.33 -0.75 4.34 3.93 2j6hA1 ALA 55 HB3 0.02 0.02 0.02 -0.04 1.41 1.43 2j6hA1 GLN 56 H 0.02 0.63 -0.23 -0.55 8.47 8.35 2j6hA1 GLN 56 HA 0.01 -0.01 0.37 -0.75 4.36 3.98 2j6hA1 GLN 56 HB2 0.02 0.13 0.18 -0.04 2.15 2.44 2j6hA1 GLN 56 HB3 0.02 -0.01 -0.06 -0.04 2.02 1.93 2j6hA1 GLN 56 HG2 0.01 -0.02 0.00 -0.04 2.40 2.35 2j6hA1 GLN 56 HG3 0.01 -0.04 -0.00 -0.04 2.39 2.32 2j6hA1 GLN 56 HE21 0.02 -0.05 -0.04 -0.04 6.97 6.86 2j6hA1 GLN 56 HE22 0.02 0.06 0.00 -0.04 7.69 7.73 2j6hA1 ALA 57 H 0.02 0.52 -0.14 -0.55 8.40 8.26 2j6hA1 ALA 57 HA 0.05 -0.01 0.32 -0.75 4.34 3.95 2j6hA1 ALA 57 HB3 0.04 0.01 0.04 -0.04 1.41 1.46 2j6hA1 ALA 58 H 0.02 0.56 -0.30 -0.55 8.40 8.13 2j6hA1 ALA 58 HA 0.02 0.13 0.27 -0.75 4.34 4.01 2j6hA1 ALA 58 HB3 0.01 -0.02 -0.02 -0.04 1.41 1.34 2j6hA1 GLU 59 H 0.00 0.44 -0.29 -0.55 8.60 8.21 2j6hA1 GLU 59 HA -0.02 -0.02 0.39 -0.75 4.29 3.89 2j6hA1 GLU 59 HB2 -0.00 -0.06 0.04 -0.04 2.09 2.02 2j6hA1 GLU 59 HB3 -0.01 0.10 0.14 -0.04 1.99 2.18 2j6hA1 GLU 59 HG2 -0.02 0.04 -0.28 -0.04 2.34 2.04 2j6hA1 GLU 59 HG3 -0.01 -0.05 -0.00 -0.04 2.34 2.23 2j6hA1 GLU 60 H -0.03 0.40 -0.20 -0.55 8.60 8.23 2j6hA1 GLU 60 HA -0.16 0.05 0.66 -0.75 4.29 4.08 2j6hA1 GLU 60 HB2 -0.20 -0.06 0.08 -0.04 2.09 1.87 2j6hA1 GLU 60 HB3 -0.06 -0.06 0.07 -0.04 1.99 1.90 2j6hA1 GLU 60 HG2 0.04 0.23 0.17 -0.04 2.34 2.73 2j6hA1 GLU 60 HG3 0.22 0.00 -0.08 -0.04 2.34 2.44 2j6hA1 HIS 61 H 0.00 0.32 -0.40 -0.55 8.41 7.78 2j6hA1 HIS 61 HA -0.02 0.10 0.61 -0.75 4.63 4.57 2j6hA1 HIS 61 HB2 -0.02 -0.01 0.10 -0.04 3.26 3.29 2j6hA1 HIS 61 HB3 -0.02 -0.03 0.06 -0.04 3.20 3.16 2j6hA1 HIS 61 HD2 -0.00 -0.04 0.06 -0.04 6.97 6.95 2j6hA1 HIS 61 HE1 0.00 -0.07 -0.04 -0.04 7.75 7.60 2j6hA1 PRO 62 HA -0.07 0.09 0.37 -0.51 4.44 4.31 2j6hA1 PRO 62 HB2 -0.27 -0.06 -0.03 -0.04 2.28 1.88 2j6hA1 PRO 62 HB3 -0.10 -0.06 0.02 -0.04 2.02 1.84 2j6hA1 PRO 62 HG2 -0.01 -0.04 0.02 -0.04 2.03 1.95 2j6hA1 PRO 62 HG3 -0.04 0.14 0.03 -0.04 2.03 2.12 2j6hA1 PRO 62 HD2 -0.03 0.02 0.07 -0.04 3.68 3.69 2j6hA1 PRO 62 HD3 -0.09 0.26 -0.35 -0.04 3.65 3.43 2j6hA1 LEU 63 H -0.10 0.09 0.15 -0.55 8.37 7.96 2j6hA1 LEU 63 HA -0.12 0.20 0.84 -0.75 4.35 4.51 2j6hA1 LEU 63 HB2 -0.02 -0.13 0.12 -0.04 1.64 1.57 2j6hA1 LEU 63 HB3 -0.01 0.01 -0.03 -0.04 1.64 1.56 2j6hA1 LEU 63 HG -0.02 0.10 -0.09 -0.04 1.64 1.59 2j6hA1 LEU 63 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.85 2j6hA1 LEU 63 HD23 0.01 -0.00 -0.10 -0.04 0.89 0.75 2j6hA1 HIS 64 H -0.02 0.23 0.10 -0.55 8.41 8.18 2j6hA1 HIS 64 HA 0.03 0.08 0.80 -0.75 4.63 4.78 2j6hA1 HIS 64 HB2 0.04 0.03 0.09 -0.04 3.26 3.37 2j6hA1 HIS 64 HB3 0.03 -0.03 -0.01 -0.04 3.20 3.15 2j6hA1 HIS 64 HD2 0.03 0.02 -0.04 -0.04 6.97 6.94 2j6hA1 HIS 64 HE1 0.02 0.00 -0.09 -0.04 7.75 7.64 2j6hA1 GLY 65 H 0.12 0.11 0.14 -0.55 8.43 8.26 2j6hA1 GLY 65 HA2 0.06 -0.07 0.34 -0.51 4.01 3.83 2j6hA1 GLY 65 HA3 0.06 0.21 0.38 -0.51 4.01 4.16 2j6hA1 GLY 66 H 0.03 0.25 0.28 -0.55 8.43 8.44 2j6hA1 GLY 66 HA2 0.04 0.23 0.51 -0.51 4.01 4.28 2j6hA1 GLY 66 HA3 0.02 0.21 0.24 -0.51 4.01 3.96 2j6hA1 THR 67 H 0.03 0.26 0.17 -0.55 8.28 8.19 2j6hA1 THR 67 HA 0.01 0.45 1.13 -0.75 4.39 5.23 2j6hA1 THR 67 HB 0.02 -0.10 0.16 -0.04 4.32 4.35 2j6hA1 THR 67 HG23 0.01 -0.01 -0.06 -0.04 1.22 1.13 2j6hA1 GLY 68 H 0.03 0.55 0.34 -0.55 8.43 8.81 2j6hA1 GLY 68 HA2 0.03 0.22 0.79 -0.51 4.01 4.55 2j6hA1 GLY 68 HA3 0.04 -0.05 0.30 -0.51 4.01 3.79 2j6hA1 ILE 69 H 0.04 0.44 0.35 -0.55 8.25 8.53 2j6hA1 ILE 69 HA 0.07 0.23 0.83 -0.75 4.18 4.56 2j6hA1 ILE 69 HB 0.07 0.03 0.16 -0.04 1.89 2.11 2j6hA1 ILE 69 HG12 0.03 0.01 -0.01 -0.04 1.49 1.48 2j6hA1 ILE 69 HG13 0.04 -0.03 -0.27 -0.04 1.21 0.92 2j6hA1 ILE 69 HG23 0.05 -0.01 -0.21 -0.04 0.93 0.72 2j6hA1 ILE 69 HD13 0.03 -0.03 -0.29 -0.04 0.88 0.54 2j6hA1 ALA 70 H 0.09 0.51 0.42 -0.55 8.40 8.87 2j6hA1 ALA 70 HA 0.07 0.22 1.03 -0.75 4.34 4.91 2j6hA1 ALA 70 HB3 0.05 -0.02 -0.12 -0.04 1.41 1.28 2j6hA1 HIS 71 H 0.11 0.72 0.41 -0.55 8.41 9.11 2j6hA1 HIS 71 HA -0.00 0.35 1.05 -0.75 4.63 5.28 2j6hA1 HIS 71 HB2 0.06 -0.01 -0.39 -0.04 3.26 2.88 2j6hA1 HIS 71 HB3 0.03 -0.00 -0.14 -0.04 3.20 3.04 2j6hA1 HIS 71 HD2 0.01 -0.05 -0.10 -0.04 6.97 6.79 2j6hA1 HIS 71 HE1 -0.58 -0.10 -0.13 -0.04 7.75 6.90 2j6hA1 THR 72 H -0.44 0.53 0.40 -0.55 8.28 8.22 2j6hA1 THR 72 HA -0.11 0.25 0.98 -0.75 4.39 4.75 2j6hA1 THR 72 HB -0.07 -0.07 0.03 -0.04 4.32 4.17 2j6hA1 THR 72 HG23 -0.14 -0.02 -0.07 -0.04 1.22 0.95 2j6hA1 ARG 73 H -0.09 0.55 0.26 -0.55 8.46 8.62 2j6hA1 ARG 73 HA -0.20 0.21 0.94 -0.75 4.34 4.54 2j6hA1 ARG 73 HB2 0.11 -0.00 -0.14 -0.04 1.90 1.82 2j6hA1 ARG 73 HB3 -0.00 -0.11 0.02 -0.04 1.80 1.66 2j6hA1 ARG 73 HG2 -0.06 -0.10 -0.55 -0.04 1.67 0.91 2j6hA1 ARG 73 HG3 0.01 0.09 -0.12 -0.04 1.67 1.61 2j6hA1 ARG 73 HD2 0.07 -0.02 -0.10 -0.04 3.22 3.13 2j6hA1 ARG 73 HD3 0.03 -0.05 -0.19 -0.04 3.22 2.96 2j6hA1 TRP 74 H 0.08 0.38 0.24 -0.55 7.97 8.11 2j6hA1 TRP 74 HA -0.18 0.02 0.72 -0.75 4.62 4.44 2j6hA1 TRP 74 HB2 -0.19 0.16 0.29 -0.04 3.23 3.45 2j6hA1 TRP 74 HB3 -0.13 0.04 0.29 -0.04 3.23 3.39 2j6hA1 TRP 74 HD1 -0.26 0.02 -0.15 -0.04 7.22 6.79 2j6hA1 TRP 74 HE1 -0.12 0.47 0.01 -0.04 10.20 10.52 2j6hA1 TRP 74 HE3 -0.06 -0.02 -0.02 -0.04 7.59 7.45 2j6hA1 TRP 74 HZ2 -0.06 0.05 0.05 -0.04 7.44 7.43 2j6hA1 TRP 74 HZ3 -0.03 -0.04 -0.08 -0.04 7.13 6.94 2j6hA1 TRP 74 HH2 -0.04 -0.04 -0.01 -0.04 7.19 7.06 2j6hA1 ALA 75 H -0.46 0.11 -0.00 -0.55 8.40 7.49 2j6hA1 ALA 75 HA -0.22 -0.00 0.40 -0.75 4.34 3.76 2j6hA1 ALA 75 HB3 -0.26 0.07 -0.02 -0.04 1.41 1.15 2j6hA1 THR 76 H -0.17 0.01 0.23 -0.55 8.28 7.80 2j6hA1 THR 76 HA -0.52 0.27 1.06 -0.75 4.39 4.44 2j6hA1 THR 76 HB -0.06 -0.00 0.06 -0.04 4.32 4.28 2j6hA1 THR 76 HG23 -0.09 0.04 -0.05 -0.04 1.22 1.08 2j6hA1 HIS 77 H 0.03 0.04 0.17 -0.55 8.41 8.10 2j6hA1 HIS 77 HA -0.12 0.16 0.84 -0.75 4.63 4.76 2j6hA1 HIS 77 HB2 -0.12 -0.21 0.30 -0.04 3.26 3.18 2j6hA1 HIS 77 HB3 -0.19 0.18 0.13 -0.04 3.20 3.28 2j6hA1 HIS 77 HD2 -0.41 0.06 -0.00 -0.04 6.97 6.58 2j6hA1 HIS 77 HE1 -0.01 0.02 -0.05 -0.04 7.75 7.66 2j6hA1 GLY 78 H -0.10 0.14 0.00 -0.55 8.43 7.92 2j6hA1 GLY 78 HA2 -0.04 -0.02 0.34 -0.51 4.01 3.78 2j6hA1 GLY 78 HA3 -0.01 0.07 0.60 -0.51 4.01 4.16 2j6hA1 GLU 79 H -0.05 0.06 0.05 -0.55 8.60 8.12 2j6hA1 GLU 79 HA -0.09 0.09 0.36 -0.75 4.29 3.90 2j6hA1 GLU 79 HB2 -0.04 0.12 0.04 -0.04 2.09 2.17 2j6hA1 GLU 79 HB3 -0.05 -0.00 0.10 -0.04 1.99 1.99 2j6hA1 GLU 79 HG2 -0.03 -0.07 0.07 -0.04 2.34 2.27 2j6hA1 GLU 79 HG3 -0.02 -0.06 -0.14 -0.04 2.34 2.09 2j6hA1 PRO 80 HA -0.02 0.02 0.41 -0.51 4.44 4.34 2j6hA1 PRO 80 HB2 -0.01 0.03 0.10 -0.04 2.28 2.35 2j6hA1 PRO 80 HB3 -0.02 0.04 0.07 -0.04 2.02 2.06 2j6hA1 PRO 80 HG2 -0.06 0.04 0.14 -0.04 2.03 2.11 2j6hA1 PRO 80 HG3 -0.12 -0.02 0.11 -0.04 2.03 1.97 2j6hA1 PRO 80 HD2 -0.06 0.10 0.21 -0.04 3.68 3.89 2j6hA1 PRO 80 HD3 -0.11 0.14 0.20 -0.04 3.65 3.84 2j6hA1 SER 81 H 0.02 0.34 0.15 -0.55 8.46 8.41 2j6hA1 SER 81 HA 0.01 0.09 0.47 -0.75 4.49 4.31 2j6hA1 SER 81 HB2 0.01 -0.06 0.12 -0.04 3.95 3.98 2j6hA1 SER 81 HB3 0.01 0.26 -0.15 -0.04 3.93 4.00 2j6hA1 GLU 82 H 0.01 0.21 0.15 -0.55 8.60 8.42 2j6hA1 GLU 82 HA 0.01 0.09 0.29 -0.75 4.29 3.93 2j6hA1 GLU 82 HB2 0.01 -0.05 0.13 -0.04 2.09 2.14 2j6hA1 GLU 82 HB3 0.01 0.01 0.08 -0.04 1.99 2.05 2j6hA1 GLU 82 HG2 -0.01 0.06 -0.15 -0.04 2.34 2.20 2j6hA1 GLU 82 HG3 0.00 -0.04 -0.30 -0.04 2.34 1.97 2j6hA1 VAL 83 H 0.02 0.03 -0.11 -0.55 8.24 7.63 2j6hA1 VAL 83 HA 0.02 0.13 0.39 -0.75 4.13 3.91 2j6hA1 VAL 83 HB 0.03 -0.10 0.04 -0.04 2.12 2.06 2j6hA1 VAL 83 HG13 0.06 0.01 -0.18 -0.04 0.97 0.82 2j6hA1 VAL 83 HG23 0.02 0.01 0.05 -0.04 0.95 0.99 2j6hA1 ASN 84 H 0.06 0.04 -0.37 -0.55 8.53 7.71 2j6hA1 ASN 84 HA 0.26 0.04 0.61 -0.75 4.76 4.92 2j6hA1 ASN 84 HB2 0.06 0.10 -0.00 -0.04 2.88 2.99 2j6hA1 ASN 84 HB3 0.12 -0.01 0.02 -0.04 2.79 2.88 2j6hA1 ASN 84 HD21 0.02 -0.11 -0.03 -0.04 7.03 6.87 2j6hA1 ASN 84 HD22 0.01 0.52 -0.12 -0.04 7.74 8.12 2j6hA1 ALA 85 H 0.02 0.25 -0.41 -0.55 8.40 7.72 2j6hA1 ALA 85 HA 0.11 -0.09 0.32 -0.75 4.34 3.93 2j6hA1 ALA 85 HB3 0.02 0.02 -0.06 -0.04 1.41 1.34 2j6hA1 HIS 86 H 0.11 -0.01 0.04 -0.55 8.41 8.00 2j6hA1 HIS 86 HA -0.48 0.10 0.36 -0.75 4.63 3.87 2j6hA1 HIS 86 HB2 -0.70 -0.02 -0.03 -0.04 3.26 2.47 2j6hA1 HIS 86 HB3 -0.31 0.02 0.18 -0.04 3.20 3.04 2j6hA1 HIS 86 HD2 -0.02 0.12 -0.07 -0.04 6.97 6.96 2j6hA1 HIS 86 HE1 0.05 0.04 0.07 -0.04 7.75 7.87 2j6hA1 PRO 87 HA -0.06 0.11 0.40 -0.51 4.44 4.38 2j6hA1 PRO 87 HB2 -0.05 0.03 -0.18 -0.04 2.28 2.05 2j6hA1 PRO 87 HB3 -0.01 -0.01 -0.17 -0.04 2.02 1.79 2j6hA1 PRO 87 HG2 0.01 0.02 -0.31 -0.04 2.03 1.70 2j6hA1 PRO 87 HG3 0.04 0.00 -0.29 -0.04 2.03 1.74 2j6hA1 PRO 87 HD2 -0.02 0.11 0.05 -0.04 3.68 3.78 2j6hA1 PRO 87 HD3 0.03 0.02 -0.05 -0.04 3.65 3.61 2j6hA1 HIS 88 H -0.10 0.39 0.27 -0.55 8.41 8.43 2j6hA1 HIS 88 HA -0.12 0.25 0.83 -0.75 4.63 4.83 2j6hA1 HIS 88 HB2 -0.26 -0.06 -0.01 -0.04 3.26 2.88 2j6hA1 HIS 88 HB3 -0.22 0.03 0.00 -0.04 3.20 2.96 2j6hA1 HIS 88 HD2 -0.86 -0.11 -0.15 -0.04 6.97 5.81 2j6hA1 HIS 88 HE1 -0.03 0.04 0.04 -0.04 7.75 7.76 2j6hA1 VAL 89 H -0.05 0.19 0.19 -0.55 8.24 8.02 2j6hA1 VAL 89 HA -0.11 0.41 1.11 -0.75 4.13 4.79 2j6hA1 VAL 89 HB -0.07 0.18 0.03 -0.04 2.12 2.22 2j6hA1 VAL 89 HG13 -0.05 0.00 -0.26 -0.04 0.97 0.62 2j6hA1 VAL 89 HG23 -0.04 -0.03 -0.03 -0.04 0.95 0.81 2j6hA1 SER 90 H -0.16 0.70 0.02 -0.55 8.46 8.47 2j6hA1 SER 90 HA -0.09 0.10 0.39 -0.75 4.49 4.15 2j6hA1 SER 90 HB2 -0.42 -0.10 -0.42 -0.04 3.95 2.97 2j6hA1 SER 90 HB3 -0.18 0.01 0.06 -0.04 3.93 3.77 2j6hA1 GLU 91 H -0.03 0.16 -0.03 -0.55 8.60 8.15 2j6hA1 GLU 91 HA -0.01 0.06 0.30 -0.75 4.29 3.90 2j6hA1 GLU 91 HB2 -0.16 -0.11 0.35 -0.04 2.09 2.13 2j6hA1 GLU 91 HB3 0.09 0.04 0.15 -0.04 1.99 2.23 2j6hA1 GLU 91 HG2 0.05 0.03 0.00 -0.04 2.34 2.38 2j6hA1 GLU 91 HG3 0.03 -0.08 -0.32 -0.04 2.34 1.93 2j6hA1 HIS 92 H -0.30 0.16 0.23 -0.55 8.41 7.95 2j6hA1 HIS 92 HA -0.01 0.08 0.32 -0.75 4.63 4.27 2j6hA1 HIS 92 HB2 -0.03 -0.20 0.09 -0.04 3.26 3.09 2j6hA1 HIS 92 HB3 -0.02 0.05 0.11 -0.04 3.20 3.29 2j6hA1 HIS 92 HD2 0.01 -0.06 -0.12 -0.04 6.97 6.76 2j6hA1 HIS 92 HE1 0.04 0.04 0.03 -0.04 7.75 7.81 2j6hA1 ILE 93 H -0.40 0.45 -0.33 -0.55 8.25 7.42 2j6hA1 ILE 93 HA -0.02 0.26 0.86 -0.75 4.18 4.53 2j6hA1 ILE 93 HB -0.18 0.01 0.10 -0.04 1.89 1.77 2j6hA1 ILE 93 HG12 -0.30 -0.04 0.01 -0.04 1.49 1.12 2j6hA1 ILE 93 HG13 -0.05 0.03 -0.15 -0.04 1.21 1.00 2j6hA1 ILE 93 HG23 -0.07 0.00 -0.16 -0.04 0.93 0.66 2j6hA1 ILE 93 HD13 0.11 -0.01 -0.14 -0.04 0.88 0.80 2j6hA1 VAL 94 H -0.02 0.64 0.41 -0.55 8.24 8.73 2j6hA1 VAL 94 HA -0.06 0.31 0.94 -0.75 4.13 4.57 2j6hA1 VAL 94 HB 0.00 -0.07 -0.05 -0.04 2.12 1.96 2j6hA1 VAL 94 HG13 -0.02 -0.01 -0.18 -0.04 0.97 0.72 2j6hA1 VAL 94 HG23 -0.01 0.06 -0.38 -0.04 0.95 0.58 2j6hA1 VAL 95 H -0.04 0.46 0.23 -0.55 8.24 8.33 2j6hA1 VAL 95 HA -0.00 0.32 1.09 -0.75 4.13 4.78 2j6hA1 VAL 95 HB -0.08 -0.02 -0.05 -0.04 2.12 1.92 2j6hA1 VAL 95 HG13 -0.04 -0.03 -0.31 -0.04 0.97 0.55 2j6hA1 VAL 95 HG23 -0.07 -0.02 -0.42 -0.04 0.95 0.40 2j6hA1 VAL 96 H 0.07 0.51 0.34 -0.55 8.24 8.61 2j6hA1 VAL 96 HA 0.10 0.09 0.81 -0.75 4.13 4.38 2j6hA1 VAL 96 HB 0.24 0.05 0.00 -0.04 2.12 2.37 2j6hA1 VAL 96 HG13 0.09 -0.02 -0.25 -0.04 0.97 0.76 2j6hA1 VAL 96 HG23 0.13 0.04 0.06 -0.04 0.95 1.13 2j6hA1 HIS 97 H 0.46 0.24 0.09 -0.55 8.41 8.65 2j6hA1 HIS 97 HA 0.16 0.30 0.91 -0.75 4.63 5.24 2j6hA1 HIS 97 HB2 0.05 0.03 -0.40 -0.04 3.26 2.90 2j6hA1 HIS 97 HB3 0.15 -0.06 -0.05 -0.04 3.20 3.19 2j6hA1 HIS 97 HD2 0.17 -0.02 -0.22 -0.04 6.97 6.86 2j6hA1 HIS 97 HE1 0.05 -0.18 -0.43 -0.04 7.75 7.15 2j6hA1 ASN 98 H 0.10 0.67 0.23 -0.55 8.53 8.99 2j6hA1 ASN 98 HA -0.06 0.16 0.77 -0.75 4.76 4.87 2j6hA1 ASN 98 HB2 0.01 0.00 -0.08 -0.04 2.88 2.77 2j6hA1 ASN 98 HB3 0.04 0.00 0.26 -0.04 2.79 3.05 2j6hA1 ASN 98 HD21 -0.02 -0.03 0.01 -0.04 7.03 6.95 2j6hA1 ASN 98 HD22 -0.03 -0.09 0.00 -0.04 7.74 7.58 2j6hA1 GLY 99 H -0.25 0.32 0.08 -0.55 8.43 8.03 2j6hA1 GLY 99 HA2 -0.01 0.01 0.19 -0.51 4.01 3.69 2j6hA1 GLY 99 HA3 -0.00 0.18 0.55 -0.51 4.01 4.24 2j6hA1 ILE 100 H 0.16 0.29 0.25 -0.55 8.25 8.40 2j6hA1 ILE 100 HA 0.15 0.06 0.71 -0.75 4.18 4.34 2j6hA1 ILE 100 HB 0.11 -0.10 0.16 -0.04 1.89 2.02 2j6hA1 ILE 100 HG12 0.14 0.05 0.04 -0.04 1.49 1.67 2j6hA1 ILE 100 HG13 0.11 -0.09 -0.71 -0.04 1.21 0.48 2j6hA1 ILE 100 HG23 0.03 -0.01 -0.22 -0.04 0.93 0.70 2j6hA1 ILE 100 HD13 0.17 -0.02 -0.04 -0.04 0.88 0.96 2j6hA1 ILE 101 H 0.05 0.08 0.04 -0.55 8.25 7.87 2j6hA1 ILE 101 HA 0.10 0.34 0.75 -0.75 4.18 4.62 2j6hA1 ILE 101 HB -0.02 -0.09 0.14 -0.04 1.89 1.88 2j6hA1 ILE 101 HG12 -0.13 -0.10 -0.19 -0.04 1.49 1.02 2j6hA1 ILE 101 HG13 -0.16 0.03 -0.16 -0.04 1.21 0.88 2j6hA1 ILE 101 HG23 0.00 -0.03 -0.12 -0.04 0.93 0.74 2j6hA1 ILE 101 HD13 -0.04 0.04 -0.29 -0.04 0.88 0.55 2j6hA1 GLU 102 H 0.08 0.57 0.28 -0.55 8.60 8.98 2j6hA1 GLU 102 HA 0.11 0.04 0.21 -0.75 4.29 3.89 2j6hA1 GLU 102 HB2 0.05 0.03 -0.08 -0.04 2.09 2.04 2j6hA1 GLU 102 HB3 0.04 0.03 0.04 -0.04 1.99 2.06 2j6hA1 GLU 102 HG2 0.08 -0.02 0.02 -0.04 2.34 2.37 2j6hA1 GLU 102 HG3 0.08 0.09 0.14 -0.04 2.34 2.61 2j6hA1 ASN 103 H 0.03 0.16 -0.31 -0.55 8.53 7.86 2j6hA1 ASN 103 HA -0.09 0.19 0.82 -0.75 4.76 4.93 2j6hA1 ASN 103 HB2 -0.05 0.01 0.17 -0.04 2.88 2.97 2j6hA1 ASN 103 HB3 -0.02 0.03 -0.00 -0.04 2.79 2.76 2j6hA1 ASN 103 HD21 -0.01 0.55 0.09 -0.04 7.03 7.62 2j6hA1 ASN 103 HD22 -0.02 -0.03 0.01 -0.04 7.74 7.67 2j6hA1 HIS 104 H 0.08 0.49 -0.34 -0.55 8.41 8.09 2j6hA1 HIS 104 HA -0.09 0.01 0.40 -0.75 4.63 4.20 2j6hA1 HIS 104 HB2 -0.11 -0.02 0.13 -0.04 3.26 3.22 2j6hA1 HIS 104 HB3 -0.13 0.11 0.21 -0.04 3.20 3.34 2j6hA1 HIS 104 HD2 -0.12 0.21 0.05 -0.04 6.97 7.07 2j6hA1 HIS 104 HE1 0.05 0.02 -0.06 -0.04 7.75 7.72 2j6hA1 GLU 105 H -0.64 0.12 -0.38 -0.55 8.60 7.16 2j6hA1 GLU 105 HA -0.29 0.05 0.31 -0.75 4.29 3.62 2j6hA1 GLU 105 HB2 -0.29 0.03 0.10 -0.04 2.09 1.88 2j6hA1 GLU 105 HB3 -0.19 0.03 -0.04 -0.04 1.99 1.75 2j6hA1 GLU 105 HG2 -0.16 0.01 -0.01 -0.04 2.34 2.15 2j6hA1 GLU 105 HG3 -0.51 -0.05 -0.02 -0.04 2.34 1.73 2j6hA1 PRO 106 HA -0.10 0.05 0.39 -0.51 4.44 4.26 2j6hA1 PRO 106 HB2 -0.08 0.09 0.10 -0.04 2.28 2.34 2j6hA1 PRO 106 HB3 -0.07 0.04 0.09 -0.04 2.02 2.04 2j6hA1 PRO 106 HG2 -0.08 0.07 0.11 -0.04 2.03 2.08 2j6hA1 PRO 106 HG3 -0.09 0.04 0.09 -0.04 2.03 2.02 2j6hA1 PRO 106 HD2 -0.16 0.19 -0.08 -0.04 3.68 3.59 2j6hA1 PRO 106 HD3 -0.17 0.07 0.12 -0.04 3.65 3.63 2j6hA1 LEU 107 H -0.10 0.43 -0.19 -0.55 8.37 7.96 2j6hA1 LEU 107 HA -0.08 0.02 0.17 -0.75 4.35 3.71 2j6hA1 LEU 107 HB2 -0.05 -0.00 0.07 -0.04 1.64 1.61 2j6hA1 LEU 107 HB3 -0.04 -0.03 -0.07 -0.04 1.64 1.45 2j6hA1 LEU 107 HG -0.06 0.08 0.03 -0.04 1.64 1.65 2j6hA1 LEU 107 HD13 -0.04 0.00 -0.19 -0.04 0.93 0.67 2j6hA1 LEU 107 HD23 -0.05 0.03 -0.06 -0.04 0.89 0.77 2j6hA1 ARG 108 H -0.15 0.64 -0.10 -0.55 8.46 8.30 2j6hA1 ARG 108 HA -0.34 -0.06 0.43 -0.75 4.34 3.62 2j6hA1 ARG 108 HB2 -0.35 0.07 0.16 -0.04 1.90 1.74 2j6hA1 ARG 108 HB3 -0.32 0.09 0.13 -0.04 1.80 1.67 2j6hA1 ARG 108 HG2 -0.93 -0.01 -0.12 -0.04 1.67 0.56 2j6hA1 ARG 108 HG3 -2.59 -0.07 -0.00 -0.04 1.67 -1.03 2j6hA1 ARG 108 HD2 -0.31 0.01 -0.05 -0.04 3.22 2.83 2j6hA1 ARG 108 HD3 -0.51 -0.01 -0.05 -0.04 3.22 2.61 2j6hA1 GLU 109 H -0.17 0.58 -0.07 -0.55 8.60 8.40 2j6hA1 GLU 109 HA -0.13 0.01 0.38 -0.75 4.29 3.81 2j6hA1 GLU 109 HB2 -0.10 0.10 0.14 -0.04 2.09 2.19 2j6hA1 GLU 109 HB3 -0.08 -0.04 0.04 -0.04 1.99 1.86 2j6hA1 GLU 109 HG2 -0.13 0.13 0.02 -0.04 2.34 2.32 2j6hA1 GLU 109 HG3 -0.09 -0.05 -0.01 -0.04 2.34 2.15 2j6hA1 GLU 110 H -0.11 0.52 -0.14 -0.55 8.60 8.32 2j6hA1 GLU 110 HA -0.11 0.01 0.43 -0.75 4.29 3.87 2j6hA1 GLU 110 HB2 -0.10 0.01 0.04 -0.04 2.09 2.00 2j6hA1 GLU 110 HB3 -0.12 0.13 0.12 -0.04 1.99 2.08 2j6hA1 GLU 110 HG2 -0.20 -0.01 -0.08 -0.04 2.34 2.01 2j6hA1 GLU 110 HG3 -0.12 -0.03 -0.01 -0.04 2.34 2.14 2j6hA1 LEU 111 H -0.06 0.72 0.02 -0.55 8.37 8.51 2j6hA1 LEU 111 HA -0.08 0.05 0.49 -0.75 4.35 4.05 2j6hA1 LEU 111 HB2 0.27 0.05 0.05 -0.04 1.64 1.97 2j6hA1 LEU 111 HB3 -0.01 -0.08 -0.04 -0.04 1.64 1.48 2j6hA1 LEU 111 HG -0.09 0.09 -0.00 -0.04 1.64 1.60 2j6hA1 LEU 111 HD13 0.04 -0.05 -0.14 -0.04 0.93 0.75 2j6hA1 LEU 111 HD23 -0.25 0.00 -0.12 -0.04 0.89 0.48 2j6hA1 LYS 112 H 0.02 0.62 -0.19 -0.55 8.42 8.33 2j6hA1 LYS 112 HA 0.13 0.22 0.47 -0.75 4.32 4.39 2j6hA1 LYS 112 HB2 -0.04 0.10 0.17 -0.04 1.87 2.07 2j6hA1 LYS 112 HB3 0.00 -0.06 0.01 -0.04 1.79 1.70 2j6hA1 LYS 112 HG2 0.17 0.05 0.06 -0.04 1.46 1.70 2j6hA1 LYS 112 HG3 -0.08 0.10 0.02 -0.04 1.46 1.47 2j6hA1 LYS 112 HD2 -0.12 -0.03 -0.07 -0.04 1.69 1.43 2j6hA1 LYS 112 HD3 -0.02 -0.02 0.00 -0.04 1.68 1.60 2j6hA1 LYS 112 HE2 0.05 -0.03 0.02 -0.04 2.99 2.99 2j6hA1 LYS 112 HE3 -0.19 -0.03 -0.03 -0.04 2.99 2.69 2j6hA1 ALA 113 H -0.05 0.35 -0.43 -0.55 8.40 7.73 2j6hA1 ALA 113 HA -0.04 0.04 0.48 -0.75 4.34 4.07 2j6hA1 ALA 113 HB3 -0.07 0.02 0.12 -0.04 1.41 1.44 2j6hA1 ARG 114 H -0.07 0.26 -0.36 -0.55 8.46 7.74 2j6hA1 ARG 114 HA -0.07 0.10 0.73 -0.75 4.34 4.35 2j6hA1 ARG 114 HB2 -0.10 0.08 0.14 -0.04 1.90 1.98 2j6hA1 ARG 114 HB3 -0.18 -0.06 0.15 -0.04 1.80 1.67 2j6hA1 ARG 114 HG2 -0.66 -0.03 0.01 -0.04 1.67 0.95 2j6hA1 ARG 114 HG3 -0.41 0.10 -0.03 -0.04 1.67 1.29 2j6hA1 ARG 114 HD2 -0.90 -0.03 -0.06 -0.04 3.22 2.19 2j6hA1 ARG 114 HD3 -3.32 -0.03 -0.01 -0.04 3.22 -0.18 2j6hA1 GLY 115 H -0.04 0.35 -0.46 -0.55 8.43 7.74 2j6hA1 GLY 115 HA2 -0.07 -0.01 0.21 -0.51 4.01 3.63 2j6hA1 GLY 115 HA3 -0.17 0.14 0.68 -0.51 4.01 4.15 2j6hA1 TYR 116 H 0.00 0.32 -0.12 -0.55 8.29 7.95 2j6hA1 TYR 116 HA -0.18 0.02 0.37 -0.75 4.56 4.01 2j6hA1 TYR 116 HB2 -0.21 0.04 -0.19 -0.04 3.06 2.66 2j6hA1 TYR 116 HB3 -0.96 -0.03 -0.13 -0.04 2.98 1.83 2j6hA1 TYR 116 HD2 -0.14 0.08 -0.01 -0.04 7.15 7.04 2j6hA1 TYR 116 HE2 0.17 -0.03 -0.04 -0.04 6.85 6.91 2j6hA1 THR 117 H -0.13 0.13 0.16 -0.55 8.28 7.89 2j6hA1 THR 117 HA 0.06 0.13 0.72 -0.75 4.39 4.54 2j6hA1 THR 117 HB -0.01 -0.07 0.12 -0.04 4.32 4.33 2j6hA1 THR 117 HG23 0.03 0.00 -0.11 -0.04 1.22 1.10 2j6hA1 PHE 118 H 0.28 0.20 0.11 -0.55 8.34 8.38 2j6hA1 PHE 118 HA 0.12 0.08 0.84 -0.75 4.62 4.91 2j6hA1 PHE 118 HB2 0.00 0.02 0.11 -0.04 3.15 3.24 2j6hA1 PHE 118 HB3 0.01 0.10 0.04 -0.04 3.06 3.17 2j6hA1 PHE 118 HD2 -0.02 0.01 -0.15 -0.04 7.28 7.08 2j6hA1 PHE 118 HE2 -0.03 -0.04 -0.25 -0.04 7.38 7.01 2j6hA1 PHE 118 HZ -0.04 -0.02 -0.09 -0.04 7.32 7.13 2j6hA1 VAL 119 H 0.07 0.10 0.17 -0.55 8.24 8.04 2j6hA1 VAL 119 HA 0.07 0.26 0.95 -0.75 4.13 4.66 2j6hA1 VAL 119 HB 0.05 -0.01 0.11 -0.04 2.12 2.22 2j6hA1 VAL 119 HG13 0.04 0.02 -0.15 -0.04 0.97 0.84 2j6hA1 VAL 119 HG23 0.06 0.01 -0.04 -0.04 0.95 0.94 2j6hA1 SER 120 H 0.10 -0.03 0.08 -0.55 8.46 8.06 2j6hA1 SER 120 HA 0.07 0.26 0.90 -0.75 4.49 4.97 2j6hA1 SER 120 HB2 0.12 0.01 0.05 -0.04 3.95 4.09 2j6hA1 SER 120 HB3 0.14 0.14 -0.04 -0.04 3.93 4.13 2j6hA1 GLU 121 H 0.03 0.16 0.06 -0.55 8.60 8.31 2j6hA1 GLU 121 HA 0.02 0.24 0.75 -0.75 4.29 4.54 2j6hA1 GLU 121 HB2 0.01 -0.02 0.01 -0.04 2.09 2.04 2j6hA1 GLU 121 HB3 0.00 -0.01 0.10 -0.04 1.99 2.04 2j6hA1 GLU 121 HG2 0.01 0.07 -0.07 -0.04 2.34 2.31 2j6hA1 GLU 121 HG3 0.02 -0.01 -0.14 -0.04 2.34 2.17 2j6hA1 THR 122 H -0.06 -0.01 -0.20 -0.55 8.28 7.46 2j6hA1 THR 122 HA -0.02 0.34 0.60 -0.75 4.39 4.56 2j6hA1 THR 122 HB -0.07 -0.17 0.17 -0.04 4.32 4.21 2j6hA1 THR 122 HG23 0.11 0.11 0.11 -0.04 1.22 1.51 2j6hA1 ASP 123 H -0.19 0.16 0.22 -0.55 8.40 8.04 2j6hA1 ASP 123 HA -0.20 0.18 0.61 -0.75 4.63 4.46 2j6hA1 ASP 123 HB2 -0.29 0.06 0.17 -0.04 2.71 2.61 2j6hA1 ASP 123 HB3 -1.01 0.10 0.15 -0.04 2.70 1.90 2j6hA1 THR 124 H -0.07 0.13 0.00 -0.55 8.28 7.79 2j6hA1 THR 124 HA -0.20 0.05 0.27 -0.75 4.39 3.76 2j6hA1 THR 124 HB -0.37 0.03 -0.03 -0.04 4.32 3.90 2j6hA1 THR 124 HG23 -0.36 0.01 -0.17 -0.04 1.22 0.66 2j6hA1 GLU 125 H -0.28 0.15 -0.69 -0.55 8.60 7.24 2j6hA1 GLU 125 HA -0.33 0.03 0.16 -0.75 4.29 3.40 2j6hA1 GLU 125 HB2 -0.48 -0.03 0.01 -0.04 2.09 1.55 2j6hA1 GLU 125 HB3 0.03 0.16 -0.05 -0.04 1.99 2.09 2j6hA1 GLU 125 HG2 -0.33 0.02 -0.13 -0.04 2.34 1.86 2j6hA1 GLU 125 HG3 -0.38 0.05 0.06 -0.04 2.34 2.03 2j6hA1 VAL 126 H 0.03 0.46 -0.31 -0.55 8.24 7.87 2j6hA1 VAL 126 HA 0.27 0.06 0.39 -0.75 4.13 4.10 2j6hA1 VAL 126 HB 0.09 -0.01 -0.03 -0.04 2.12 2.13 2j6hA1 VAL 126 HG13 0.11 0.05 0.07 -0.04 0.97 1.17 2j6hA1 VAL 126 HG23 -0.03 0.03 -0.17 -0.04 0.95 0.74 2j6hA1 ILE 127 H -0.15 0.36 -0.32 -0.55 8.25 7.59 2j6hA1 ILE 127 HA -0.13 0.05 0.30 -0.75 4.18 3.64 2j6hA1 ILE 127 HB -0.21 0.14 0.01 -0.04 1.89 1.78 2j6hA1 ILE 127 HG12 -0.25 0.02 -0.13 -0.04 1.49 1.09 2j6hA1 ILE 127 HG13 -0.25 -0.03 -0.07 -0.04 1.21 0.83 2j6hA1 ILE 127 HG23 -0.16 -0.00 -0.24 -0.04 0.93 0.49 2j6hA1 ILE 127 HD13 -0.56 -0.01 -0.15 -0.04 0.88 0.11 2j6hA1 ALA 128 H -0.22 0.28 -0.30 -0.55 8.40 7.60 2j6hA1 ALA 128 HA -0.16 0.01 0.10 -0.75 4.34 3.53 2j6hA1 ALA 128 HB3 -0.33 0.03 -0.28 -0.04 1.41 0.79 2j6hA1 HIS 129 H -0.35 0.43 -0.25 -0.55 8.41 7.70 2j6hA1 HIS 129 HA -0.41 0.02 0.33 -0.75 4.63 3.82 2j6hA1 HIS 129 HB2 -0.35 0.05 0.03 -0.04 3.26 2.94 2j6hA1 HIS 129 HB3 -0.89 -0.01 -0.08 -0.04 3.20 2.18 2j6hA1 HIS 129 HD2 -1.47 -0.06 -0.18 -0.04 6.97 5.21 2j6hA1 HIS 129 HE1 -0.13 -0.05 0.09 -0.04 7.75 7.62 2j6hA1 LEU 130 H -0.09 0.68 -0.18 -0.55 8.37 8.23 2j6hA1 LEU 130 HA -0.02 0.04 0.44 -0.75 4.35 4.06 2j6hA1 LEU 130 HB2 -0.05 0.05 0.04 -0.04 1.64 1.64 2j6hA1 LEU 130 HB3 -0.06 0.00 0.07 -0.04 1.64 1.61 2j6hA1 LEU 130 HG 0.01 -0.02 -0.19 -0.04 1.64 1.40 2j6hA1 LEU 130 HD13 0.01 -0.01 -0.01 -0.04 0.93 0.89 2j6hA1 LEU 130 HD23 -0.05 0.00 -0.13 -0.04 0.89 0.67 2j6hA1 VAL 131 H -0.06 0.63 -0.17 -0.55 8.24 8.09 2j6hA1 VAL 131 HA 0.02 0.03 0.23 -0.75 4.13 3.66 2j6hA1 VAL 131 HB -0.06 0.16 0.02 -0.04 2.12 2.20 2j6hA1 VAL 131 HG13 -0.00 -0.03 -0.24 -0.04 0.97 0.65 2j6hA1 VAL 131 HG23 -0.05 -0.00 -0.09 -0.04 0.95 0.76 2j6hA1 ASN 132 H -0.03 0.42 -0.40 -0.55 8.53 7.97 2j6hA1 ASN 132 HA 0.06 -0.03 0.45 -0.75 4.76 4.49 2j6hA1 ASN 132 HB2 -0.06 0.02 0.13 -0.04 2.88 2.92 2j6hA1 ASN 132 HB3 -0.00 0.14 0.17 -0.04 2.79 3.06 2j6hA1 ASN 132 HD21 0.08 -0.06 -0.03 -0.04 7.03 6.98 2j6hA1 ASN 132 HD22 -0.32 0.14 0.06 -0.04 7.74 7.58 2j6hA1 TRP 133 H 0.21 0.54 -0.18 -0.55 7.97 8.00 2j6hA1 TRP 133 HA 0.20 0.00 0.30 -0.75 4.62 4.36 2j6hA1 TRP 133 HB2 0.27 -0.03 0.09 -0.04 3.23 3.52 2j6hA1 TRP 133 HB3 0.00 0.13 0.22 -0.04 3.23 3.54 2j6hA1 TRP 133 HD1 0.02 0.03 -0.19 -0.04 7.22 7.05 2j6hA1 TRP 133 HE1 0.03 -0.01 -0.09 -0.04 10.20 10.09 2j6hA1 TRP 133 HE3 0.21 0.01 0.02 -0.04 7.59 7.79 2j6hA1 TRP 133 HZ2 0.03 -0.02 -0.03 -0.04 7.44 7.38 2j6hA1 TRP 133 HZ3 0.01 0.05 0.04 -0.04 7.13 7.20 2j6hA1 TRP 133 HH2 0.02 -0.01 -0.00 -0.04 7.19 7.15 2j6hA1 GLU 134 H 0.19 0.46 -0.17 -0.55 8.60 8.53 2j6hA1 GLU 134 HA -0.08 0.03 0.28 -0.75 4.29 3.77 2j6hA1 GLU 134 HB2 0.05 -0.01 0.03 -0.04 2.09 2.12 2j6hA1 GLU 134 HB3 0.02 -0.02 -0.04 -0.04 1.99 1.91 2j6hA1 GLU 134 HG2 0.23 0.05 -0.07 -0.04 2.34 2.51 2j6hA1 GLU 134 HG3 0.08 0.01 -0.20 -0.04 2.34 2.19 2j6hA1 LEU 135 H 0.02 0.42 -0.37 -0.55 8.37 7.90 2j6hA1 LEU 135 HA -0.03 0.12 0.36 -0.75 4.35 4.05 2j6hA1 LEU 135 HB2 0.06 0.24 0.14 -0.04 1.64 2.04 2j6hA1 LEU 135 HB3 0.07 -0.03 -0.11 -0.04 1.64 1.52 2j6hA1 LEU 135 HG 0.04 -0.05 -0.10 -0.04 1.64 1.49 2j6hA1 LEU 135 HD13 0.12 -0.04 -0.09 -0.04 0.93 0.88 2j6hA1 LEU 135 HD23 0.00 -0.03 -0.27 -0.04 0.89 0.55 2j6hA1 LYS 136 H -0.07 0.48 -0.15 -0.55 8.42 8.13 2j6hA1 LYS 136 HA -0.07 -0.06 0.38 -0.75 4.32 3.82 2j6hA1 LYS 136 HB2 -0.37 0.25 0.16 -0.04 1.87 1.87 2j6hA1 LYS 136 HB3 -0.25 -0.06 -0.02 -0.04 1.79 1.42 2j6hA1 LYS 136 HG2 -0.01 -0.09 0.04 -0.04 1.46 1.37 2j6hA1 LYS 136 HG3 0.06 0.11 0.04 -0.04 1.46 1.63 2j6hA1 LYS 136 HD2 -0.00 0.04 0.01 -0.04 1.69 1.70 2j6hA1 LYS 136 HD3 -0.07 -0.03 0.00 -0.04 1.68 1.54 2j6hA1 LYS 136 HE2 0.05 -0.06 -0.02 -0.04 2.99 2.92 2j6hA1 LYS 136 HE3 0.18 -0.02 -0.07 -0.04 2.99 3.04 2j6hA1 GLN 137 H -0.29 0.32 -0.51 -0.55 8.47 7.44 2j6hA1 GLN 137 HA -0.22 -0.05 0.21 -0.75 4.36 3.54 2j6hA1 GLN 137 HB2 -0.15 0.20 0.02 -0.04 2.15 2.17 2j6hA1 GLN 137 HB3 -0.16 -0.12 0.10 -0.04 2.02 1.79 2j6hA1 GLN 137 HG2 -0.52 0.24 0.10 -0.04 2.40 2.19 2j6hA1 GLN 137 HG3 -0.26 -0.08 0.01 -0.04 2.39 2.01 2j6hA1 GLN 137 HE21 -1.71 -0.08 -0.03 -0.04 6.97 5.11 2j6hA1 GLN 137 HE22 -1.72 0.32 0.04 -0.04 7.69 6.30 2j6hA1 GLY 138 H -0.09 0.59 -0.69 -0.55 8.43 7.69 2j6hA1 GLY 138 HA2 -0.06 -0.02 0.31 -0.51 4.01 3.73 2j6hA1 GLY 138 HA3 -0.06 0.04 0.75 -0.51 4.01 4.23 2j6hA1 GLY 139 H -0.04 0.04 0.11 -0.55 8.43 7.99 2j6hA1 GLY 139 HA2 -0.04 -0.05 0.30 -0.51 4.01 3.71 2j6hA1 GLY 139 HA3 -0.04 0.19 0.54 -0.51 4.01 4.18 2j6hA1 THR 140 H -0.05 0.06 0.11 -0.55 8.28 7.85 2j6hA1 THR 140 HA -0.06 0.25 0.65 -0.75 4.39 4.47 2j6hA1 THR 140 HB -0.06 -0.03 0.13 -0.04 4.32 4.31 2j6hA1 THR 140 HG23 -0.06 0.04 0.01 -0.04 1.22 1.17 2j6hA1 LEU 141 H -0.04 0.18 0.10 -0.55 8.37 8.07 2j6hA1 LEU 141 HA 0.00 0.17 0.25 -0.75 4.35 4.02 2j6hA1 LEU 141 HB2 0.03 0.06 0.05 -0.04 1.64 1.74 2j6hA1 LEU 141 HB3 0.00 -0.02 0.02 -0.04 1.64 1.60 2j6hA1 LEU 141 HG 0.01 -0.02 -0.26 -0.04 1.64 1.33 2j6hA1 LEU 141 HD13 0.03 0.00 -0.09 -0.04 0.93 0.83 2j6hA1 LEU 141 HD23 0.04 0.01 -0.19 -0.04 0.89 0.71 2j6hA1 ARG 142 H -0.04 0.08 -0.17 -0.55 8.46 7.78 2j6hA1 ARG 142 HA -0.05 0.08 0.33 -0.75 4.34 3.94 2j6hA1 ARG 142 HB2 -0.06 0.01 0.04 -0.04 1.90 1.85 2j6hA1 ARG 142 HB3 -0.11 -0.05 -0.00 -0.04 1.80 1.59 2j6hA1 ARG 142 HG2 -0.33 0.05 -0.23 -0.04 1.67 1.12 2j6hA1 ARG 142 HG3 -0.19 0.02 -0.07 -0.04 1.67 1.39 2j6hA1 ARG 142 HD2 -1.12 0.06 -0.09 -0.04 3.22 2.02 2j6hA1 ARG 142 HD3 -0.10 -0.03 -0.05 -0.04 3.22 3.00 2j6hA1 GLU 143 H -0.08 0.01 -0.34 -0.55 8.60 7.65 2j6hA1 GLU 143 HA -0.09 0.09 0.37 -0.75 4.29 3.90 2j6hA1 GLU 143 HB2 -0.05 0.08 0.03 -0.04 2.09 2.11 2j6hA1 GLU 143 HB3 -0.05 0.09 -0.03 -0.04 1.99 1.96 2j6hA1 GLU 143 HG2 -0.09 0.08 -0.02 -0.04 2.34 2.27 2j6hA1 GLU 143 HG3 -0.09 -0.14 0.00 -0.04 2.34 2.07 2j6hA1 ALA 144 H -0.04 0.36 -0.37 -0.55 8.40 7.80 2j6hA1 ALA 144 HA -0.02 0.12 0.28 -0.75 4.34 3.97 2j6hA1 ALA 144 HB3 -0.00 0.04 -0.05 -0.04 1.41 1.36 2j6hA1 VAL 145 H -0.03 0.59 -0.07 -0.55 8.24 8.18 2j6hA1 VAL 145 HA -0.03 -0.01 0.27 -0.75 4.13 3.61 2j6hA1 VAL 145 HB -0.02 0.08 0.07 -0.04 2.12 2.21 2j6hA1 VAL 145 HG13 -0.02 -0.00 -0.24 -0.04 0.97 0.66 2j6hA1 VAL 145 HG23 -0.01 0.00 -0.10 -0.04 0.95 0.80 2j6hA1 LEU 146 H -0.05 0.58 -0.18 -0.55 8.37 8.17 2j6hA1 LEU 146 HA -0.02 0.00 0.35 -0.75 4.35 3.92 2j6hA1 LEU 146 HB2 -0.07 0.05 0.07 -0.04 1.64 1.65 2j6hA1 LEU 146 HB3 -0.05 -0.00 -0.01 -0.04 1.64 1.54 2j6hA1 LEU 146 HG -0.10 -0.01 0.02 -0.04 1.64 1.51 2j6hA1 LEU 146 HD13 -0.27 -0.03 -0.11 -0.04 0.93 0.48 2j6hA1 LEU 146 HD23 -0.01 -0.00 -0.01 -0.04 0.89 0.82 2j6hA1 ARG 147 H -0.02 0.32 -0.60 -0.55 8.46 7.61 2j6hA1 ARG 147 HA 0.00 0.07 0.52 -0.75 4.34 4.18 2j6hA1 ARG 147 HB2 0.01 0.11 0.05 -0.04 1.90 2.03 2j6hA1 ARG 147 HB3 0.03 -0.07 -0.06 -0.04 1.80 1.66 2j6hA1 ARG 147 HG2 0.01 -0.05 -0.04 -0.04 1.67 1.55 2j6hA1 ARG 147 HG3 -0.01 0.10 -0.05 -0.04 1.67 1.67 2j6hA1 ARG 147 HD2 0.02 -0.04 -0.04 -0.04 3.22 3.12 2j6hA1 ARG 147 HD3 -0.00 -0.06 -0.06 -0.04 3.22 3.05 2j6hA1 ALA 148 H -0.02 0.32 -0.21 -0.55 8.40 7.95 2j6hA1 ALA 148 HA 0.00 0.09 0.60 -0.75 4.34 4.28 2j6hA1 ALA 148 HB3 -0.03 -0.03 -0.03 -0.04 1.41 1.28 2j6hA1 ILE 149 H -0.06 0.63 0.03 -0.55 8.25 8.30 2j6hA1 ILE 149 HA -0.24 -0.10 0.22 -0.75 4.18 3.30 2j6hA1 ILE 149 HB -0.01 0.16 0.03 -0.04 1.89 2.02 2j6hA1 ILE 149 HG12 -0.07 0.24 -0.04 -0.04 1.49 1.59 2j6hA1 ILE 149 HG13 -0.00 -0.01 -0.12 -0.04 1.21 1.04 2j6hA1 ILE 149 HG23 0.05 -0.01 -0.20 -0.04 0.93 0.73 2j6hA1 ILE 149 HD13 -0.35 -0.05 -0.12 -0.04 0.88 0.33 2j6hA1 PRO 150 HA 0.04 0.01 0.29 -0.51 4.44 4.27 2j6hA1 PRO 150 HB2 0.02 0.07 -0.14 -0.04 2.28 2.18 2j6hA1 PRO 150 HB3 0.03 -0.05 0.04 -0.04 2.02 2.00 2j6hA1 PRO 150 HG2 0.01 0.11 0.04 -0.04 2.03 2.15 2j6hA1 PRO 150 HG3 0.02 -0.01 0.03 -0.04 2.03 2.03 2j6hA1 PRO 150 HD2 -0.01 0.02 -0.91 -0.04 3.68 2.74 2j6hA1 PRO 150 HD3 0.00 0.06 -0.05 -0.04 3.65 3.61 2j6hA1 GLN 151 H -0.02 0.76 -0.56 -0.55 8.47 8.11 2j6hA1 GLN 151 HA 0.00 0.06 0.63 -0.75 4.36 4.30 2j6hA1 GLN 151 HB2 -0.02 0.18 0.06 -0.04 2.15 2.32 2j6hA1 GLN 151 HB3 -0.02 -0.16 0.02 -0.04 2.02 1.82 2j6hA1 GLN 151 HG2 0.00 -0.08 -0.04 -0.04 2.40 2.25 2j6hA1 GLN 151 HG3 0.01 0.09 -0.08 -0.04 2.39 2.36 2j6hA1 GLN 151 HE21 0.09 -0.13 -0.08 -0.04 6.97 6.81 2j6hA1 GLN 151 HE22 0.03 0.67 0.19 -0.04 7.69 8.54 2j6hA1 LEU 152 H -0.04 0.57 -0.07 -0.55 8.37 8.28 2j6hA1 LEU 152 HA -0.02 -0.06 0.50 -0.75 4.35 4.02 2j6hA1 LEU 152 HB2 -0.12 0.15 -0.03 -0.04 1.64 1.60 2j6hA1 LEU 152 HB3 -0.04 -0.12 -0.15 -0.04 1.64 1.29 2j6hA1 LEU 152 HG -0.18 0.17 -0.19 -0.04 1.64 1.40 2j6hA1 LEU 152 HD13 -0.49 -0.03 -0.18 -0.04 0.93 0.18 2j6hA1 LEU 152 HD23 -0.10 -0.03 -0.24 -0.04 0.89 0.48 2j6hA1 ARG 153 H 0.05 0.05 0.14 -0.55 8.46 8.15 2j6hA1 ARG 153 HA 0.10 0.25 0.80 -0.75 4.34 4.74 2j6hA1 ARG 153 HB2 0.03 0.17 -0.18 -0.04 1.90 1.88 2j6hA1 ARG 153 HB3 0.03 -0.26 0.04 -0.04 1.80 1.58 2j6hA1 ARG 153 HG2 0.04 -0.08 -0.09 -0.04 1.67 1.50 2j6hA1 ARG 153 HG3 0.05 0.09 0.06 -0.04 1.67 1.83 2j6hA1 ARG 153 HD2 0.02 0.11 -0.05 -0.04 3.22 3.25 2j6hA1 ARG 153 HD3 0.01 -0.06 -0.06 -0.04 3.22 3.06 2j6hA1 GLY 154 H 0.09 0.24 0.14 -0.55 8.43 8.36 2j6hA1 GLY 154 HA2 0.07 0.01 0.36 -0.51 4.01 3.94 2j6hA1 GLY 154 HA3 0.10 0.10 0.95 -0.51 4.01 4.65 2j6hA1 ALA 155 H 0.11 0.24 0.34 -0.55 8.40 8.55 2j6hA1 ALA 155 HA -0.15 0.28 0.90 -0.75 4.34 4.62 2j6hA1 ALA 155 HB3 0.03 -0.06 0.16 -0.04 1.41 1.49 2j6hA1 TYR 156 H -0.33 0.71 0.37 -0.55 8.29 8.49 2j6hA1 TYR 156 HA 0.38 0.06 0.64 -0.75 4.56 4.88 2j6hA1 TYR 156 HB2 0.15 -0.01 -0.14 -0.04 3.06 3.02 2j6hA1 TYR 156 HB3 0.11 0.01 -0.22 -0.04 2.98 2.85 2j6hA1 TYR 156 HD2 0.07 0.03 -0.47 -0.04 7.15 6.74 2j6hA1 TYR 156 HE2 0.04 0.07 -0.33 -0.04 6.85 6.59 2j6hA1 GLY 157 H 0.22 0.49 0.18 -0.55 8.43 8.78 2j6hA1 GLY 157 HA2 0.15 0.23 0.61 -0.51 4.01 4.49 2j6hA1 GLY 157 HA3 0.11 0.07 0.41 -0.51 4.01 4.08 2j6hA1 THR 158 H 0.23 0.60 0.11 -0.55 8.28 8.67 2j6hA1 THR 158 HA 0.20 0.36 1.25 -0.75 4.39 5.45 2j6hA1 THR 158 HB 0.25 -0.13 -0.17 -0.04 4.32 4.24 2j6hA1 THR 158 HG23 0.07 0.02 -0.12 -0.04 1.22 1.14 2j6hA1 VAL 159 H 0.11 0.44 0.29 -0.55 8.24 8.53 2j6hA1 VAL 159 HA 0.07 0.26 1.02 -0.75 4.13 4.73 2j6hA1 VAL 159 HB 0.08 -0.07 0.09 -0.04 2.12 2.17 2j6hA1 VAL 159 HG13 0.06 0.00 -0.15 -0.04 0.97 0.84 2j6hA1 VAL 159 HG23 0.09 -0.01 -0.31 -0.04 0.95 0.69 2j6hA1 ILE 160 H 0.04 0.96 0.41 -0.55 8.25 9.11 2j6hA1 ILE 160 HA 0.01 0.26 1.04 -0.75 4.18 4.73 2j6hA1 ILE 160 HB 0.01 -0.05 0.00 -0.04 1.89 1.81 2j6hA1 ILE 160 HG12 -0.02 0.00 -0.22 -0.04 1.49 1.21 2j6hA1 ILE 160 HG13 0.02 -0.08 -0.43 -0.04 1.21 0.67 2j6hA1 ILE 160 HG23 -0.01 0.00 -0.17 -0.04 0.93 0.71 2j6hA1 ILE 160 HD13 -0.04 -0.00 -0.19 -0.04 0.88 0.61 2j6hA1 MET 161 H 0.01 0.58 0.40 -0.55 8.47 8.91 2j6hA1 MET 161 HA 0.04 0.16 0.89 -0.75 4.52 4.85 2j6hA1 MET 161 HB2 0.03 0.05 -0.23 -0.04 2.15 1.96 2j6hA1 MET 161 HB3 0.02 0.03 -0.07 -0.04 2.03 1.97 2j6hA1 MET 161 HG2 0.03 -0.07 -0.43 -0.04 2.63 2.12 2j6hA1 MET 161 HG3 0.03 0.09 -0.26 -0.04 2.56 2.39 2j6hA1 MET 161 HE3 0.02 0.00 -0.25 -0.04 2.10 1.83 2j6hA1 ASP 162 H 0.06 0.33 0.13 -0.55 8.40 8.38 2j6hA1 ASP 162 HA 0.10 0.34 0.80 -0.75 4.63 5.12 2j6hA1 ASP 162 HB2 0.13 0.02 -0.01 -0.04 2.71 2.81 2j6hA1 ASP 162 HB3 0.14 0.02 0.20 -0.04 2.70 3.02 2j6hA1 SER 163 H 0.06 0.74 0.15 -0.55 8.46 8.86 2j6hA1 SER 163 HA 0.01 0.05 0.21 -0.75 4.49 4.01 2j6hA1 SER 163 HB2 0.03 0.01 -0.02 -0.04 3.95 3.93 2j6hA1 SER 163 HB3 0.03 0.04 -0.00 -0.04 3.93 3.95 2j6hA1 ARG 164 H -0.08 0.01 -0.44 -0.55 8.46 7.40 2j6hA1 ARG 164 HA -0.16 0.20 0.64 -0.75 4.34 4.27 2j6hA1 ARG 164 HB2 -0.59 -0.02 -0.01 -0.04 1.90 1.24 2j6hA1 ARG 164 HB3 -0.41 0.03 0.11 -0.04 1.80 1.48 2j6hA1 ARG 164 HG2 -0.13 0.06 0.02 -0.04 1.67 1.58 2j6hA1 ARG 164 HG3 -0.09 -0.10 0.00 -0.04 1.67 1.44 2j6hA1 ARG 164 HD2 -0.24 0.03 0.01 -0.04 3.22 2.97 2j6hA1 ARG 164 HD3 -0.29 -0.02 0.01 -0.04 3.22 2.88 2j6hA1 HIS 165 H -0.08 0.51 -0.30 -0.55 8.41 7.99 2j6hA1 HIS 165 HA -0.01 0.18 0.79 -0.75 4.63 4.83 2j6hA1 HIS 165 HB2 -0.00 -0.01 0.22 -0.04 3.26 3.43 2j6hA1 HIS 165 HB3 -0.01 -0.07 0.11 -0.04 3.20 3.18 2j6hA1 HIS 165 HD2 -0.02 -0.04 -0.05 -0.04 6.97 6.82 2j6hA1 HIS 165 HE1 -0.04 0.02 -0.05 -0.04 7.75 7.64 2j6hA1 PRO 166 HA 0.03 0.11 0.26 -0.51 4.44 4.32 2j6hA1 PRO 166 HB2 0.01 -0.02 -0.05 -0.04 2.28 2.17 2j6hA1 PRO 166 HB3 0.01 0.03 -0.02 -0.04 2.02 1.99 2j6hA1 PRO 166 HG2 0.00 -0.01 -0.05 -0.04 2.03 1.93 2j6hA1 PRO 166 HG3 -0.02 0.08 -0.01 -0.04 2.03 2.04 2j6hA1 PRO 166 HD2 0.02 0.13 0.03 -0.04 3.68 3.83 2j6hA1 PRO 166 HD3 -0.02 0.27 -0.26 -0.04 3.65 3.59 2j6hA1 ASP 167 H 0.05 0.07 -0.53 -0.55 8.40 7.44 2j6hA1 ASP 167 HA 0.00 0.15 0.68 -0.75 4.63 4.71 2j6hA1 ASP 167 HB2 0.02 0.01 0.03 -0.04 2.71 2.73 2j6hA1 ASP 167 HB3 0.00 -0.05 0.07 -0.04 2.70 2.68 2j6hA1 THR 168 H 0.03 0.40 -0.13 -0.55 8.28 8.03 2j6hA1 THR 168 HA 0.01 0.36 1.09 -0.75 4.39 5.09 2j6hA1 THR 168 HB 0.03 0.00 0.04 -0.04 4.32 4.35 2j6hA1 THR 168 HG23 0.02 -0.03 -0.17 -0.04 1.22 1.00 2j6hA1 LEU 169 H 0.02 0.76 0.41 -0.55 8.37 9.00 2j6hA1 LEU 169 HA 0.03 0.24 0.95 -0.75 4.35 4.82 2j6hA1 LEU 169 HB2 0.01 -0.01 0.00 -0.04 1.64 1.61 2j6hA1 LEU 169 HB3 0.03 -0.01 -0.08 -0.04 1.64 1.54 2j6hA1 LEU 169 HG 0.01 0.01 -0.37 -0.04 1.64 1.25 2j6hA1 LEU 169 HD13 0.02 -0.00 -0.18 -0.04 0.93 0.73 2j6hA1 LEU 169 HD23 0.03 0.04 -0.09 -0.04 0.89 0.83 2j6hA1 LEU 170 H 0.03 0.65 0.32 -0.55 8.37 8.83 2j6hA1 LEU 170 HA 0.05 0.32 1.12 -0.75 4.35 5.08 2j6hA1 LEU 170 HB2 0.02 0.00 0.05 -0.04 1.64 1.67 2j6hA1 LEU 170 HB3 0.03 0.01 -0.10 -0.04 1.64 1.54 2j6hA1 LEU 170 HG 0.00 0.01 -0.26 -0.04 1.64 1.35 2j6hA1 LEU 170 HD13 0.03 0.05 -0.09 -0.04 0.93 0.88 2j6hA1 LEU 170 HD23 0.02 -0.01 -0.23 -0.04 0.89 0.62 2j6hA1 ALA 171 H 0.07 0.60 0.35 -0.55 8.40 8.87 2j6hA1 ALA 171 HA 0.08 0.30 1.05 -0.75 4.34 5.01 2j6hA1 ALA 171 HB3 0.07 -0.02 -0.03 -0.04 1.41 1.39 2j6hA1 ALA 172 H 0.12 0.54 0.21 -0.55 8.40 8.73 2j6hA1 ALA 172 HA 0.14 0.28 0.84 -0.75 4.34 4.84 2j6hA1 ALA 172 HB3 0.13 -0.00 -0.08 -0.04 1.41 1.42 2j6hA1 ARG 173 H 0.15 0.63 0.13 -0.55 8.46 8.82 2j6hA1 ARG 173 HA 0.11 0.26 1.17 -0.75 4.34 5.14 2j6hA1 ARG 173 HB2 0.08 -0.06 -0.12 -0.04 1.90 1.75 2j6hA1 ARG 173 HB3 0.07 0.03 0.05 -0.04 1.80 1.91 2j6hA1 ARG 173 HG2 -0.01 -0.17 -0.53 -0.04 1.67 0.91 2j6hA1 ARG 173 HG3 0.03 0.36 -0.09 -0.04 1.67 1.94 2j6hA1 ARG 173 HD2 0.07 -0.09 -0.10 -0.04 3.22 3.06 2j6hA1 ARG 173 HD3 0.05 0.00 -0.57 -0.04 3.22 2.66 2j6hA1 SER 174 H -0.24 0.95 0.33 -0.55 8.46 8.95 2j6hA1 SER 174 HA -0.17 -0.03 0.48 -0.75 4.49 4.01 2j6hA1 SER 174 HB2 -0.81 0.09 0.00 -0.04 3.95 3.19 2j6hA1 SER 174 HB3 -1.51 -0.11 0.22 -0.04 3.93 2.48 2j6hA1 GLY 175 H -0.07 0.13 0.04 -0.55 8.43 7.97 2j6hA1 GLY 175 HA2 -0.03 0.00 0.33 -0.51 4.01 3.80 2j6hA1 GLY 175 HA3 -0.05 -0.01 0.54 -0.51 4.01 3.98 2j6hA1 SER 176 H -0.03 0.16 0.13 -0.55 8.46 8.17 2j6hA1 SER 176 HA 0.01 0.05 0.48 -0.75 4.49 4.27 2j6hA1 SER 176 HB2 0.04 -0.04 -0.06 -0.04 3.95 3.84 2j6hA1 SER 176 HB3 0.02 0.06 0.13 -0.04 3.93 4.10 2j6hA1 PRO 177 HA 0.06 0.11 0.62 -0.51 4.44 4.72 2j6hA1 PRO 177 HB2 0.08 0.13 0.05 -0.04 2.28 2.49 2j6hA1 PRO 177 HB3 0.05 -0.05 0.15 -0.04 2.02 2.13 2j6hA1 PRO 177 HG2 0.04 0.05 0.22 -0.04 2.03 2.30 2j6hA1 PRO 177 HG3 0.04 -0.08 0.16 -0.04 2.03 2.10 2j6hA1 PRO 177 HD2 0.01 0.08 0.30 -0.04 3.68 4.04 2j6hA1 PRO 177 HD3 0.01 0.10 0.23 -0.04 3.65 3.95 2j6hA1 LEU 178 H 0.09 0.26 0.15 -0.55 8.37 8.33 2j6hA1 LEU 178 HA 0.06 0.24 0.57 -0.75 4.35 4.47 2j6hA1 LEU 178 HB2 0.08 -0.04 -0.04 -0.04 1.64 1.59 2j6hA1 LEU 178 HB3 0.07 -0.03 -0.23 -0.04 1.64 1.41 2j6hA1 LEU 178 HG 0.09 0.04 -0.32 -0.04 1.64 1.40 2j6hA1 LEU 178 HD13 0.10 -0.01 -0.29 -0.04 0.93 0.70 2j6hA1 LEU 178 HD23 0.08 0.02 -0.17 -0.04 0.89 0.78 2j6hA1 VAL 179 H 0.03 0.66 0.20 -0.55 8.24 8.57 2j6hA1 VAL 179 HA -0.11 0.22 1.05 -0.75 4.13 4.55 2j6hA1 VAL 179 HB -0.06 0.00 -0.20 -0.04 2.12 1.82 2j6hA1 VAL 179 HG13 -0.12 0.02 -0.41 -0.04 0.97 0.42 2j6hA1 VAL 179 HG23 -0.54 0.00 -0.28 -0.04 0.95 0.09 2j6hA1 ILE 180 H -0.06 0.71 0.32 -0.55 8.25 8.67 2j6hA1 ILE 180 HA 0.08 0.23 1.05 -0.75 4.18 4.79 2j6hA1 ILE 180 HB 0.00 -0.03 0.13 -0.04 1.89 1.96 2j6hA1 ILE 180 HG12 0.04 0.08 -0.05 -0.04 1.49 1.52 2j6hA1 ILE 180 HG13 0.04 -0.08 -0.25 -0.04 1.21 0.87 2j6hA1 ILE 180 HG23 0.02 0.02 -0.20 -0.04 0.93 0.73 2j6hA1 ILE 180 HD13 0.03 -0.01 -0.15 -0.04 0.88 0.71 2j6hA1 GLY 181 H 0.19 0.47 -0.05 -0.55 8.43 8.49 2j6hA1 GLY 181 HA2 0.08 0.29 0.87 -0.51 4.01 4.75 2j6hA1 GLY 181 HA3 0.23 -0.03 0.17 -0.51 4.01 3.87 2j6hA1 LEU 182 H -0.10 0.61 0.24 -0.55 8.37 8.57 2j6hA1 LEU 182 HA 0.01 0.08 0.80 -0.75 4.35 4.49 2j6hA1 LEU 182 HB2 -0.07 -0.05 0.17 -0.04 1.64 1.65 2j6hA1 LEU 182 HB3 -0.03 0.07 0.01 -0.04 1.64 1.65 2j6hA1 LEU 182 HG -0.03 0.01 -0.17 -0.04 1.64 1.41 2j6hA1 LEU 182 HD13 -0.03 -0.01 -0.10 -0.04 0.93 0.75 2j6hA1 LEU 182 HD23 -0.01 0.01 -0.15 -0.04 0.89 0.69 2j6hA1 GLY 183 H 0.03 0.44 0.33 -0.55 8.43 8.68 2j6hA1 GLY 183 HA2 0.07 0.16 0.79 -0.51 4.01 4.52 2j6hA1 GLY 183 HA3 0.19 -0.03 0.28 -0.51 4.01 3.95 2j6hA1 MET 184 H 0.07 0.20 0.13 -0.55 8.47 8.31 2j6hA1 MET 184 HA 0.00 0.21 1.08 -0.75 4.52 5.06 2j6hA1 MET 184 HB2 0.02 -0.01 0.24 -0.04 2.15 2.37 2j6hA1 MET 184 HB3 0.01 0.01 0.12 -0.04 2.03 2.12 2j6hA1 MET 184 HG2 -0.00 0.09 -0.07 -0.04 2.63 2.61 2j6hA1 MET 184 HG3 0.01 -0.01 -0.09 -0.04 2.56 2.42 2j6hA1 MET 184 HE3 -0.00 -0.00 0.01 -0.04 2.10 2.07 2j6hA1 GLY 185 H -0.01 0.30 0.11 -0.55 8.43 8.28 2j6hA1 GLY 185 HA2 -0.02 0.04 0.36 -0.51 4.01 3.88 2j6hA1 GLY 185 HA3 -0.01 0.05 0.62 -0.51 4.01 4.16 2j6hA1 GLU 186 H -0.03 0.03 -0.41 -0.55 8.60 7.64 2j6hA1 GLU 186 HA -0.14 0.15 0.50 -0.75 4.29 4.04 2j6hA1 GLU 186 HB2 -0.40 0.06 0.14 -0.04 2.09 1.85 2j6hA1 GLU 186 HB3 -0.09 -0.05 0.33 -0.04 1.99 2.14 2j6hA1 GLU 186 HG2 0.04 0.02 -0.38 -0.04 2.34 1.97 2j6hA1 GLU 186 HG3 0.18 -0.06 -0.11 -0.04 2.34 2.31 2j6hA1 ASN 187 H -0.46 0.53 0.36 -0.55 8.53 8.42 2j6hA1 ASN 187 HA -0.28 0.07 0.77 -0.75 4.76 4.56 2j6hA1 ASN 187 HB2 -0.15 0.09 -0.00 -0.04 2.88 2.77 2j6hA1 ASN 187 HB3 -0.10 0.01 0.06 -0.04 2.79 2.72 2j6hA1 ASN 187 HD21 -0.05 -0.11 -0.43 -0.04 7.03 6.41 2j6hA1 ASN 187 HD22 -0.07 0.48 -0.13 -0.04 7.74 7.98 2j6hA1 PHE 188 H 0.04 0.71 0.38 -0.55 8.34 8.91 2j6hA1 PHE 188 HA 0.03 0.23 0.95 -0.75 4.62 5.07 2j6hA1 PHE 188 HB2 0.05 -0.07 0.00 -0.04 3.15 3.08 2j6hA1 PHE 188 HB3 0.04 0.04 0.12 -0.04 3.06 3.22 2j6hA1 PHE 188 HD2 0.01 0.08 -0.13 -0.04 7.28 7.19 2j6hA1 PHE 188 HE2 0.00 -0.02 -0.18 -0.04 7.38 7.14 2j6hA1 PHE 188 HZ 0.00 -0.01 -0.12 -0.04 7.32 7.15 2j6hA1 ILE 189 H 0.20 0.58 0.37 -0.55 8.25 8.86 2j6hA1 ILE 189 HA 0.11 0.28 0.80 -0.75 4.18 4.61 2j6hA1 ILE 189 HB 0.07 0.07 -0.05 -0.04 1.89 1.94 2j6hA1 ILE 189 HG12 0.08 -0.06 -0.36 -0.04 1.49 1.11 2j6hA1 ILE 189 HG13 0.07 0.10 -0.04 -0.04 1.21 1.29 2j6hA1 ILE 189 HG23 0.07 -0.03 -0.19 -0.04 0.93 0.74 2j6hA1 ILE 189 HD13 0.07 -0.01 -0.20 -0.04 0.88 0.70 2j6hA1 ALA 190 H 0.05 0.62 0.32 -0.55 8.40 8.84 2j6hA1 ALA 190 HA 0.05 0.26 0.52 -0.75 4.34 4.42 2j6hA1 ALA 190 HB3 0.03 0.01 0.06 -0.04 1.41 1.48 2j6hA1 SER 191 H 0.02 0.31 0.30 -0.55 8.46 8.55 2j6hA1 SER 191 HA 0.04 0.28 0.54 -0.75 4.49 4.60 2j6hA1 SER 191 HB2 0.01 -0.07 0.20 -0.04 3.95 4.05 2j6hA1 SER 191 HB3 0.01 0.04 0.14 -0.04 3.93 4.08 2j6hA1 ASP 192 H 0.01 0.12 -0.08 -0.55 8.40 7.90 2j6hA1 ASP 192 HA 0.01 0.21 0.44 -0.75 4.63 4.53 2j6hA1 ASP 192 HB2 0.03 0.02 0.10 -0.04 2.71 2.82 2j6hA1 ASP 192 HB3 0.09 0.11 -0.27 -0.04 2.70 2.59 2j6hA1 GLN 193 H -0.12 0.25 0.04 -0.55 8.47 8.09 2j6hA1 GLN 193 HA -0.71 0.11 0.20 -0.75 4.36 3.22 2j6hA1 GLN 193 HB2 -0.20 -0.01 0.02 -0.04 2.15 1.92 2j6hA1 GLN 193 HB3 -0.53 0.05 -0.13 -0.04 2.02 1.37 2j6hA1 GLN 193 HG2 -1.52 0.04 -0.12 -0.04 2.40 0.76 2j6hA1 GLN 193 HG3 -0.37 -0.02 -0.06 -0.04 2.39 1.90 2j6hA1 GLN 193 HE21 0.22 -0.00 -0.05 -0.04 6.97 7.09 2j6hA1 GLN 193 HE22 0.14 0.02 -0.09 -0.04 7.69 7.72 2j6hA1 LEU 194 H -0.08 0.08 -0.30 -0.55 8.37 7.53 2j6hA1 LEU 194 HA -0.02 0.08 0.11 -0.75 4.35 3.76 2j6hA1 LEU 194 HB2 -0.03 0.04 -0.04 -0.04 1.64 1.58 2j6hA1 LEU 194 HB3 0.03 0.03 -0.04 -0.04 1.64 1.62 2j6hA1 LEU 194 HG -0.02 -0.09 -0.03 -0.04 1.64 1.46 2j6hA1 LEU 194 HD13 0.01 0.03 -0.04 -0.04 0.93 0.89 2j6hA1 LEU 194 HD23 0.09 0.01 -0.16 -0.04 0.89 0.79 2j6hA1 ALA 195 H -0.07 0.12 -0.46 -0.55 8.40 7.45 2j6hA1 ALA 195 HA -0.16 0.07 0.30 -0.75 4.34 3.80 2j6hA1 ALA 195 HB3 -0.03 0.02 0.00 -0.04 1.41 1.36 2j6hA1 LEU 196 H -0.03 0.47 -0.43 -0.55 8.37 7.84 2j6hA1 LEU 196 HA -0.09 0.19 0.82 -0.75 4.35 4.52 2j6hA1 LEU 196 HB2 0.29 0.08 -0.11 -0.04 1.64 1.87 2j6hA1 LEU 196 HB3 0.04 -0.07 0.01 -0.04 1.64 1.58 2j6hA1 LEU 196 HG 0.03 -0.05 -0.31 -0.04 1.64 1.26 2j6hA1 LEU 196 HD13 0.19 -0.03 -0.33 -0.04 0.93 0.71 2j6hA1 LEU 196 HD23 -0.02 0.05 -0.16 -0.04 0.89 0.72 2j6hA1 LEU 197 H 0.00 0.27 -0.20 -0.55 8.37 7.89 2j6hA1 LEU 197 HA 0.13 0.37 0.40 -0.75 4.35 4.50 2j6hA1 LEU 197 HB2 0.02 0.03 0.01 -0.04 1.64 1.65 2j6hA1 LEU 197 HB3 0.06 -0.02 -0.04 -0.04 1.64 1.60 2j6hA1 LEU 197 HG 0.07 0.12 -0.10 -0.04 1.64 1.69 2j6hA1 LEU 197 HD13 0.09 -0.02 -0.22 -0.04 0.93 0.74 2j6hA1 LEU 197 HD23 0.24 0.02 -0.08 -0.04 0.89 1.03 2j6hA1 PRO 198 HA -0.03 0.06 0.38 -0.51 4.44 4.34 2j6hA1 PRO 198 HB2 -0.09 0.01 -0.13 -0.04 2.28 2.03 2j6hA1 PRO 198 HB3 -0.05 -0.01 0.01 -0.04 2.02 1.93 2j6hA1 PRO 198 HG2 -0.10 0.07 -0.09 -0.04 2.03 1.88 2j6hA1 PRO 198 HG3 -0.07 -0.00 -0.05 -0.04 2.03 1.87 2j6hA1 PRO 198 HD2 -0.09 0.09 -0.47 -0.04 3.68 3.17 2j6hA1 PRO 198 HD3 -0.08 0.11 -0.07 -0.04 3.65 3.57 2j6hA1 VAL 199 H -0.16 0.34 -0.40 -0.55 8.24 7.46 2j6hA1 VAL 199 HA -0.12 0.18 0.92 -0.75 4.13 4.36 2j6hA1 VAL 199 HB -0.42 -0.05 -0.03 -0.04 2.12 1.57 2j6hA1 VAL 199 HG13 -0.27 -0.02 -0.14 -0.04 0.97 0.49 2j6hA1 VAL 199 HG23 -0.92 0.00 -0.09 -0.04 0.95 -0.09 2j6hA1 THR 200 H -0.11 0.46 0.07 -0.55 8.28 8.15 2j6hA1 THR 200 HA -0.11 0.07 0.51 -0.75 4.39 4.10 2j6hA1 THR 200 HB -0.05 0.09 -0.44 -0.04 4.32 3.88 2j6hA1 THR 200 HG23 -0.21 -0.03 -0.33 -0.04 1.22 0.61 2j6hA1 ARG 201 H -0.23 0.10 0.19 -0.55 8.46 7.96 2j6hA1 ARG 201 HA -0.27 0.21 0.93 -0.75 4.34 4.46 2j6hA1 ARG 201 HB2 -0.09 -0.01 0.05 -0.04 1.90 1.81 2j6hA1 ARG 201 HB3 -0.04 -0.02 0.17 -0.04 1.80 1.86 2j6hA1 ARG 201 HG2 0.05 0.03 -0.03 -0.04 1.67 1.68 2j6hA1 ARG 201 HG3 -0.03 0.00 -0.27 -0.04 1.67 1.33 2j6hA1 ARG 201 HD2 0.00 -0.06 -0.03 -0.04 3.22 3.10 2j6hA1 ARG 201 HD3 0.03 0.21 0.08 -0.04 3.22 3.50 2j6hA1 ARG 202 H -0.43 0.07 0.18 -0.55 8.46 7.73 2j6hA1 ARG 202 HA -0.21 0.37 0.97 -0.75 4.34 4.72 2j6hA1 ARG 202 HB2 -0.19 0.11 0.30 -0.04 1.90 2.08 2j6hA1 ARG 202 HB3 -0.13 0.02 0.03 -0.04 1.80 1.68 2j6hA1 ARG 202 HG2 -0.08 0.04 0.01 -0.04 1.67 1.60 2j6hA1 ARG 202 HG3 -0.12 -0.12 0.05 -0.04 1.67 1.43 2j6hA1 ARG 202 HD2 -0.05 -0.02 0.00 -0.04 3.22 3.11 2j6hA1 ARG 202 HD3 -0.07 0.08 0.06 -0.04 3.22 3.25 2j6hA1 PHE 203 H -0.04 0.55 0.34 -0.55 8.34 8.64 2j6hA1 PHE 203 HA -0.13 0.40 1.14 -0.75 4.62 5.27 2j6hA1 PHE 203 HB2 -0.24 -0.05 -0.07 -0.04 3.15 2.74 2j6hA1 PHE 203 HB3 -0.51 0.00 -0.15 -0.04 3.06 2.37 2j6hA1 PHE 203 HD2 -0.05 0.05 -0.31 -0.04 7.28 6.93 2j6hA1 PHE 203 HE2 -0.02 -0.02 -0.18 -0.04 7.38 7.12 2j6hA1 PHE 203 HZ -0.03 0.17 -0.23 -0.04 7.32 7.19 2j6hA1 ILE 204 H -0.05 0.65 0.33 -0.55 8.25 8.62 2j6hA1 ILE 204 HA -0.05 0.30 0.91 -0.75 4.18 4.58 2j6hA1 ILE 204 HB -0.02 -0.06 0.09 -0.04 1.89 1.86 2j6hA1 ILE 204 HG12 0.01 0.19 -0.33 -0.04 1.49 1.31 2j6hA1 ILE 204 HG13 -0.01 -0.08 -0.34 -0.04 1.21 0.73 2j6hA1 ILE 204 HG23 0.02 0.00 -0.28 -0.04 0.93 0.63 2j6hA1 ILE 204 HD13 -0.01 -0.02 -0.13 -0.04 0.88 0.69 2j6hA1 PHE 205 H 0.15 0.24 0.08 -0.55 8.34 8.25 2j6hA1 PHE 205 HA 0.04 0.14 1.01 -0.75 4.62 5.06 2j6hA1 PHE 205 HB2 0.03 -0.01 0.11 -0.04 3.15 3.24 2j6hA1 PHE 205 HB3 0.02 0.11 -0.05 -0.04 3.06 3.10 2j6hA1 PHE 205 HD2 0.02 0.05 -0.04 -0.04 7.28 7.27 2j6hA1 PHE 205 HE2 -0.01 -0.02 -0.09 -0.04 7.38 7.21 2j6hA1 PHE 205 HZ -0.04 -0.04 -0.09 -0.04 7.32 7.11 2j6hA1 LEU 206 H 0.10 0.46 0.23 -0.55 8.37 8.61 2j6hA1 LEU 206 HA 0.08 -0.03 0.31 -0.75 4.35 3.95 2j6hA1 LEU 206 HB2 0.09 0.01 0.07 -0.04 1.64 1.76 2j6hA1 LEU 206 HB3 0.08 0.06 -0.01 -0.04 1.64 1.72 2j6hA1 LEU 206 HG 0.06 0.02 -0.15 -0.04 1.64 1.53 2j6hA1 LEU 206 HD13 0.08 0.00 -0.27 -0.04 0.93 0.70 2j6hA1 LEU 206 HD23 0.05 -0.02 -0.21 -0.04 0.89 0.67 2j6hA1 GLU 207 H 0.07 0.04 0.14 -0.55 8.60 8.30 2j6hA1 GLU 207 HA 0.06 0.15 0.59 -0.75 4.29 4.33 2j6hA1 GLU 207 HB2 0.05 -0.04 0.02 -0.04 2.09 2.08 2j6hA1 GLU 207 HB3 0.04 0.01 0.11 -0.04 1.99 2.10 2j6hA1 GLU 207 HG2 0.06 -0.01 0.03 -0.04 2.34 2.38 2j6hA1 GLU 207 HG3 0.04 -0.00 0.02 -0.04 2.34 2.36 2j6hA1 GLU 208 H 0.03 0.13 0.12 -0.55 8.60 8.33 2j6hA1 GLU 208 HA 0.01 0.02 0.38 -0.75 4.29 3.95 2j6hA1 GLU 208 HB2 0.01 0.02 0.15 -0.04 2.09 2.23 2j6hA1 GLU 208 HB3 0.02 -0.00 0.18 -0.04 1.99 2.14 2j6hA1 GLU 208 HG2 0.01 0.03 0.03 -0.04 2.34 2.36 2j6hA1 GLU 208 HG3 0.01 0.05 -0.08 -0.04 2.34 2.28 2j6hA1 GLY 209 H 0.03 0.58 0.36 -0.55 8.43 8.85 2j6hA1 GLY 209 HA2 0.09 0.05 0.39 -0.51 4.01 4.04 2j6hA1 GLY 209 HA3 0.07 0.01 0.62 -0.51 4.01 4.19 2j6hA1 ASP 210 H 0.07 0.50 -0.23 -0.55 8.40 8.20 2j6hA1 ASP 210 HA 0.10 0.17 0.49 -0.75 4.63 4.63 2j6hA1 ASP 210 HB2 0.08 0.01 0.08 -0.04 2.71 2.84 2j6hA1 ASP 210 HB3 0.08 0.02 -0.07 -0.04 2.70 2.69 2j6hA1 ILE 211 H 0.15 0.66 0.44 -0.55 8.25 8.96 2j6hA1 ILE 211 HA 0.12 0.20 0.95 -0.75 4.18 4.69 2j6hA1 ILE 211 HB 0.16 0.08 0.16 -0.04 1.89 2.25 2j6hA1 ILE 211 HG12 0.04 -0.03 -0.09 -0.04 1.49 1.37 2j6hA1 ILE 211 HG13 0.07 -0.03 0.01 -0.04 1.21 1.22 2j6hA1 ILE 211 HG23 0.11 -0.04 -0.16 -0.04 0.93 0.80 2j6hA1 ILE 211 HD13 0.11 0.08 -0.27 -0.04 0.88 0.76 2j6hA1 ALA 212 H 0.11 0.72 0.33 -0.55 8.40 9.02 2j6hA1 ALA 212 HA 0.15 0.27 1.15 -0.75 4.34 5.15 2j6hA1 ALA 212 HB3 0.07 -0.02 -0.09 -0.04 1.41 1.32 2j6hA1 GLU 213 H 0.20 0.76 0.31 -0.55 8.60 9.32 2j6hA1 GLU 213 HA 0.07 0.17 1.02 -0.75 4.29 4.80 2j6hA1 GLU 213 HB2 0.13 -0.05 0.06 -0.04 2.09 2.19 2j6hA1 GLU 213 HB3 0.21 0.01 0.21 -0.04 1.99 2.38 2j6hA1 GLU 213 HG2 0.05 0.04 -0.23 -0.04 2.34 2.16 2j6hA1 GLU 213 HG3 0.04 -0.02 -0.02 -0.04 2.34 2.29 2j6hA1 ILE 214 H 0.04 0.87 0.37 -0.55 8.25 8.97 2j6hA1 ILE 214 HA 0.01 0.22 1.09 -0.75 4.18 4.76 2j6hA1 ILE 214 HB 0.01 -0.04 0.04 -0.04 1.89 1.87 2j6hA1 ILE 214 HG12 0.02 0.00 -0.18 -0.04 1.49 1.29 2j6hA1 ILE 214 HG13 0.04 -0.06 -0.55 -0.04 1.21 0.60 2j6hA1 ILE 214 HG23 -0.03 0.01 -0.19 -0.04 0.93 0.68 2j6hA1 ILE 214 HD13 0.03 -0.01 -0.19 -0.04 0.88 0.67 2j6hA1 THR 215 H -0.01 0.55 0.32 -0.55 8.28 8.59 2j6hA1 THR 215 HA -0.02 0.40 0.99 -0.75 4.39 5.01 2j6hA1 THR 215 HB -0.01 0.06 0.30 -0.04 4.32 4.63 2j6hA1 THR 215 HG23 0.00 0.01 -0.11 -0.04 1.22 1.08 2j6hA1 ARG 216 H -0.04 0.26 0.15 -0.55 8.46 8.27 2j6hA1 ARG 216 HA -0.10 0.10 0.37 -0.75 4.34 3.95 2j6hA1 ARG 216 HB2 -0.04 -0.00 0.09 -0.04 1.90 1.91 2j6hA1 ARG 216 HB3 -0.04 -0.02 -0.25 -0.04 1.80 1.46 2j6hA1 ARG 216 HG2 -0.06 0.37 0.01 -0.04 1.67 1.95 2j6hA1 ARG 216 HG3 -0.06 -0.03 -0.15 -0.04 1.67 1.39 2j6hA1 ARG 216 HD2 -0.02 -0.05 -0.12 -0.04 3.22 2.98 2j6hA1 ARG 216 HD3 -0.02 -0.05 -0.05 -0.04 3.22 3.06 2j6hA1 ARG 217 H -0.03 -0.00 -0.27 -0.55 8.46 7.60 2j6hA1 ARG 217 HA -0.03 0.26 0.97 -0.75 4.34 4.79 2j6hA1 ARG 217 HB2 -0.02 -0.02 -0.04 -0.04 1.90 1.79 2j6hA1 ARG 217 HB3 -0.02 0.01 0.12 -0.04 1.80 1.88 2j6hA1 ARG 217 HG2 -0.02 0.06 -0.10 -0.04 1.67 1.57 2j6hA1 ARG 217 HG3 -0.02 -0.09 -0.17 -0.04 1.67 1.35 2j6hA1 ARG 217 HD2 -0.01 -0.00 -0.02 -0.04 3.22 3.15 2j6hA1 ARG 217 HD3 -0.01 0.01 -0.01 -0.04 3.22 3.17 2j6hA1 SER 218 H -0.03 0.27 -0.21 -0.55 8.46 7.95 2j6hA1 SER 218 HA -0.02 0.15 0.65 -0.75 4.49 4.51 2j6hA1 SER 218 HB2 -0.01 0.02 -0.05 -0.04 3.95 3.87 2j6hA1 SER 218 HB3 -0.01 0.16 -0.22 -0.04 3.93 3.81 2j6hA1 VAL 219 H -0.02 0.28 0.11 -0.55 8.24 8.06 2j6hA1 VAL 219 HA 0.00 0.22 0.81 -0.75 4.13 4.41 2j6hA1 VAL 219 HB -0.02 -0.01 0.08 -0.04 2.12 2.13 2j6hA1 VAL 219 HG13 0.00 -0.01 -0.20 -0.04 0.97 0.72 2j6hA1 VAL 219 HG23 -0.01 -0.00 -0.24 -0.04 0.95 0.66 2j6hA1 ASN 220 H 0.02 0.57 0.19 -0.55 8.53 8.76 2j6hA1 ASN 220 HA -0.13 0.15 0.86 -0.75 4.76 4.88 2j6hA1 ASN 220 HB2 0.08 0.04 0.18 -0.04 2.88 3.14 2j6hA1 ASN 220 HB3 -0.07 0.02 0.03 -0.04 2.79 2.73 2j6hA1 ASN 220 HD21 -0.04 -0.01 -0.02 -0.04 7.03 6.92 2j6hA1 ASN 220 HD22 -0.11 0.05 0.12 -0.04 7.74 7.76 2j6hA1 ILE 221 H -0.22 0.27 0.20 -0.55 8.25 7.94 2j6hA1 ILE 221 HA 0.00 0.28 1.13 -0.75 4.18 4.84 2j6hA1 ILE 221 HB -0.08 0.08 0.12 -0.04 1.89 1.96 2j6hA1 ILE 221 HG12 0.02 0.03 -0.14 -0.04 1.49 1.37 2j6hA1 ILE 221 HG13 -0.02 -0.12 -0.37 -0.04 1.21 0.65 2j6hA1 ILE 221 HG23 0.02 -0.01 -0.17 -0.04 0.93 0.73 2j6hA1 ILE 221 HD13 0.00 -0.01 -0.13 -0.04 0.88 0.70 2j6hA1 PHE 222 H 0.25 0.69 0.43 -0.55 8.34 9.16 2j6hA1 PHE 222 HA 0.02 0.24 1.07 -0.75 4.62 5.20 2j6hA1 PHE 222 HB2 0.03 -0.03 0.09 -0.04 3.15 3.19 2j6hA1 PHE 222 HB3 0.02 0.09 -0.11 -0.04 3.06 3.02 2j6hA1 PHE 222 HD2 0.02 0.12 -0.20 -0.04 7.28 7.17 2j6hA1 PHE 222 HE2 0.01 -0.02 -0.09 -0.04 7.38 7.23 2j6hA1 PHE 222 HZ 0.00 -0.04 -0.09 -0.04 7.32 7.15 2j6hA1 ASP 223 H 0.11 0.48 0.11 -0.55 8.40 8.55 2j6hA1 ASP 223 HA 0.08 0.14 0.53 -0.75 4.63 4.63 2j6hA1 ASP 223 HB2 0.05 0.01 0.11 -0.04 2.71 2.83 2j6hA1 ASP 223 HB3 0.04 0.04 -0.00 -0.04 2.70 2.74 2j6hA1 LYS 224 H 0.06 0.13 0.08 -0.55 8.42 8.13 2j6hA1 LYS 224 HA 0.08 0.28 0.44 -0.75 4.32 4.37 2j6hA1 LYS 224 HB2 0.06 0.08 0.15 -0.04 1.87 2.11 2j6hA1 LYS 224 HB3 0.05 -0.08 0.09 -0.04 1.79 1.80 2j6hA1 LYS 224 HG2 0.05 -0.02 -0.02 -0.04 1.46 1.43 2j6hA1 LYS 224 HG3 0.05 0.01 -0.16 -0.04 1.46 1.32 2j6hA1 LYS 224 HD2 0.08 0.06 0.12 -0.04 1.69 1.90 2j6hA1 LYS 224 HD3 0.08 -0.02 0.09 -0.04 1.68 1.79 2j6hA1 LYS 224 HE2 0.07 -0.04 -0.02 -0.04 2.99 2.97 2j6hA1 LYS 224 HE3 0.07 0.02 -0.02 -0.04 2.99 3.03 2j6hA1 THR 225 H 0.06 0.00 -0.15 -0.55 8.28 7.64 2j6hA1 THR 225 HA 0.04 0.19 0.51 -0.75 4.39 4.38 2j6hA1 THR 225 HB 0.04 0.06 0.12 -0.04 4.32 4.50 2j6hA1 THR 225 HG23 0.04 0.00 0.01 -0.04 1.22 1.23 2j6hA1 GLY 226 H 0.09 0.33 -0.75 -0.55 8.43 7.55 2j6hA1 GLY 226 HA2 0.09 0.11 0.19 -0.51 4.01 3.89 2j6hA1 GLY 226 HA3 0.05 0.15 0.52 -0.51 4.01 4.22 2j6hA1 ALA 227 H 0.09 -0.03 -0.38 -0.55 8.40 7.53 2j6hA1 ALA 227 HA 0.11 0.09 0.48 -0.75 4.34 4.26 2j6hA1 ALA 227 HB3 0.05 0.01 -0.02 -0.04 1.41 1.41 2j6hA1 GLU 228 H 0.08 0.13 0.17 -0.55 8.60 8.42 2j6hA1 GLU 228 HA -0.31 0.23 0.86 -0.75 4.29 4.31 2j6hA1 GLU 228 HB2 0.07 -0.00 0.14 -0.04 2.09 2.26 2j6hA1 GLU 228 HB3 -0.04 -0.04 0.16 -0.04 1.99 2.04 2j6hA1 GLU 228 HG2 -0.24 0.01 -0.07 -0.04 2.34 2.01 2j6hA1 GLU 228 HG3 -0.79 0.07 0.03 -0.04 2.34 1.62 2j6hA1 VAL 229 H -0.20 0.65 0.31 -0.55 8.24 8.45 2j6hA1 VAL 229 HA -0.05 0.17 0.94 -0.75 4.13 4.44 2j6hA1 VAL 229 HB -0.01 0.06 -0.04 -0.04 2.12 2.08 2j6hA1 VAL 229 HG13 0.00 -0.01 -0.33 -0.04 0.97 0.59 2j6hA1 VAL 229 HG23 -0.02 -0.01 -0.26 -0.04 0.95 0.61 2j6hA1 LYS 230 H -0.03 0.15 0.13 -0.55 8.42 8.12 2j6hA1 LYS 230 HA -0.04 0.14 0.89 -0.75 4.32 4.55 2j6hA1 LYS 230 HB2 -0.01 -0.03 0.13 -0.04 1.87 1.91 2j6hA1 LYS 230 HB3 -0.01 0.08 -0.05 -0.04 1.79 1.76 2j6hA1 LYS 230 HG2 -0.03 -0.03 -0.02 -0.04 1.46 1.35 2j6hA1 LYS 230 HG3 -0.02 0.01 0.01 -0.04 1.46 1.41 2j6hA1 LYS 230 HD2 -0.03 0.03 0.05 -0.04 1.69 1.70 2j6hA1 LYS 230 HD3 -0.06 0.05 -0.01 -0.04 1.68 1.62 2j6hA1 LYS 230 HE2 -0.04 -0.02 -0.05 -0.04 2.99 2.84 2j6hA1 LYS 230 HE3 -0.03 -0.01 -0.00 -0.04 2.99 2.91 2j6hA1 ARG 231 H -0.01 0.17 0.09 -0.55 8.46 8.15 2j6hA1 ARG 231 HA 0.02 0.17 0.89 -0.75 4.34 4.67 2j6hA1 ARG 231 HB2 0.02 -0.03 -0.02 -0.04 1.90 1.83 2j6hA1 ARG 231 HB3 0.05 0.08 0.03 -0.04 1.80 1.92 2j6hA1 ARG 231 HG2 0.01 -0.02 -0.19 -0.04 1.67 1.42 2j6hA1 ARG 231 HG3 0.04 -0.00 -0.11 -0.04 1.67 1.56 2j6hA1 ARG 231 HD2 0.05 0.05 0.01 -0.04 3.22 3.28 2j6hA1 ARG 231 HD3 0.02 0.10 -0.22 -0.04 3.22 3.08 2j6hA1 GLN 232 H 0.05 0.11 0.11 -0.55 8.47 8.20 2j6hA1 GLN 232 HA 0.03 0.10 0.56 -0.75 4.36 4.30 2j6hA1 GLN 232 HB2 0.04 -0.01 0.08 -0.04 2.15 2.22 2j6hA1 GLN 232 HB3 0.07 -0.01 0.06 -0.04 2.02 2.10 2j6hA1 GLN 232 HG2 0.05 0.21 -0.08 -0.04 2.40 2.54 2j6hA1 GLN 232 HG3 0.03 -0.05 0.12 -0.04 2.39 2.44 2j6hA1 GLN 232 HE21 0.04 -0.02 -0.00 -0.04 6.97 6.94 2j6hA1 GLN 232 HE22 0.06 -0.00 -0.09 -0.04 7.69 7.62 2j6hA1 ASP 233 H 0.03 0.12 0.20 -0.55 8.40 8.19 2j6hA1 ASP 233 HA 0.04 0.39 1.09 -0.75 4.63 5.39 2j6hA1 ASP 233 HB2 -0.01 0.01 -0.03 -0.04 2.71 2.64 2j6hA1 ASP 233 HB3 -0.00 -0.01 -0.04 -0.04 2.70 2.61 2j6hA1 ILE 234 H 0.09 0.63 0.35 -0.55 8.25 8.77 2j6hA1 ILE 234 HA 0.08 0.19 0.99 -0.75 4.18 4.68 2j6hA1 ILE 234 HB 0.15 0.03 0.04 -0.04 1.89 2.08 2j6hA1 ILE 234 HG12 0.42 0.03 -0.02 -0.04 1.49 1.88 2j6hA1 ILE 234 HG13 0.24 -0.12 -0.03 -0.04 1.21 1.26 2j6hA1 ILE 234 HG23 0.18 0.02 -0.11 -0.04 0.93 0.98 2j6hA1 ILE 234 HD13 0.34 0.00 -0.19 -0.04 0.88 0.99 2j6hA1 GLU 235 H 0.06 0.18 0.16 -0.55 8.60 8.45 2j6hA1 GLU 235 HA 0.00 0.24 0.96 -0.75 4.29 4.74 2j6hA1 GLU 235 HB2 0.01 -0.01 0.04 -0.04 2.09 2.09 2j6hA1 GLU 235 HB3 0.03 -0.03 0.16 -0.04 1.99 2.11 2j6hA1 GLU 235 HG2 0.01 -0.03 -0.06 -0.04 2.34 2.22 2j6hA1 GLU 235 HG3 0.02 0.13 -0.14 -0.04 2.34 2.30 2j6hA1 SER 236 H 0.10 0.73 0.27 -0.55 8.46 9.01 2j6hA1 SER 236 HA 0.13 0.17 1.07 -0.75 4.49 5.11 2j6hA1 SER 236 HB2 0.25 -0.02 0.02 -0.04 3.95 4.15 2j6hA1 SER 236 HB3 0.48 0.17 0.10 -0.04 3.93 4.64 2j6hA1 ASN 237 H 0.08 0.13 0.12 -0.55 8.53 8.31 2j6hA1 ASN 237 HA 0.05 0.26 0.84 -0.75 4.76 5.15 2j6hA1 ASN 237 HB2 0.03 -0.00 0.16 -0.04 2.88 3.03 2j6hA1 ASN 237 HB3 0.04 0.04 -0.00 -0.04 2.79 2.82 2j6hA1 ASN 237 HD21 0.03 0.01 0.01 -0.04 7.03 7.03 2j6hA1 ASN 237 HD22 0.03 0.02 -0.01 -0.04 7.74 7.74 2j6hA1 LEU 238 H 0.10 0.02 -0.27 -0.55 8.37 7.67 2j6hA1 LEU 238 HA 0.04 0.05 0.35 -0.75 4.35 4.04 2j6hA1 LEU 238 HB2 0.09 -0.01 -0.05 -0.04 1.64 1.63 2j6hA1 LEU 238 HB3 0.06 0.02 -0.21 -0.04 1.64 1.48 2j6hA1 LEU 238 HG 0.03 0.06 -0.13 -0.04 1.64 1.55 2j6hA1 LEU 238 HD13 0.04 -0.03 -0.13 -0.04 0.93 0.76 2j6hA1 LEU 238 HD23 0.03 -0.02 -0.12 -0.04 0.89 0.74 2j6hA1 GLN 239 H 0.04 0.17 0.13 -0.55 8.47 8.25 2j6hA1 GLN 239 HA 0.07 0.20 0.83 -0.75 4.36 4.71 2j6hA1 GLN 239 HB2 0.01 -0.06 0.03 -0.04 2.15 2.09 2j6hA1 GLN 239 HB3 0.02 0.02 -0.04 -0.04 2.02 1.99 2j6hA1 GLN 239 HG2 0.03 0.07 -0.26 -0.04 2.40 2.21 2j6hA1 GLN 239 HG3 0.02 -0.03 -0.07 -0.04 2.39 2.27 2j6hA1 GLN 239 HE21 0.03 -0.04 -0.10 -0.04 6.97 6.81 2j6hA1 GLN 239 HE22 0.03 0.15 -0.14 -0.04 7.69 7.69 2j6hA1 TYR 240 H 0.15 0.22 0.06 -0.55 8.29 8.17 2j6hA1 TYR 240 HA -0.02 0.07 0.55 -0.75 4.56 4.41 2j6hA1 TYR 240 HB2 -0.00 0.04 -0.02 -0.04 3.06 3.04 2j6hA1 TYR 240 HB3 -0.00 0.01 0.07 -0.04 2.98 3.02 2j6hA1 TYR 240 HD2 -0.02 -0.04 -0.12 -0.04 7.15 6.93 2j6hA1 TYR 240 HE2 -0.03 -0.00 -0.10 -0.04 6.85 6.68 2j6hA1 ASP 241 H -0.39 0.23 0.17 -0.55 8.40 7.86 2j6hA1 ASP 241 HA -0.25 0.12 0.77 -0.75 4.63 4.53 2j6hA1 ASP 241 HB2 -0.13 0.10 -0.01 -0.04 2.71 2.63 2j6hA1 ASP 241 HB3 -0.20 0.00 0.21 -0.04 2.70 2.67 2j6hA1 ALA 242 H -0.31 0.22 0.04 -0.55 8.40 7.81 2j6hA1 ALA 242 HA -0.49 0.12 0.52 -0.75 4.34 3.73 2j6hA1 ALA 242 HB3 0.02 0.02 0.03 -0.04 1.41 1.44 2j6hA1 GLY 243 H -0.14 -0.07 -0.28 -0.55 8.43 7.40 2j6hA1 GLY 243 HA2 -0.02 0.00 0.24 -0.51 4.01 3.72 2j6hA1 GLY 243 HA3 -0.03 0.10 0.26 -0.51 4.01 3.82 2j6hA1 ASP 244 H 0.17 0.31 0.17 -0.55 8.40 8.50 2j6hA1 ASP 244 HA 0.14 0.20 0.72 -0.75 4.63 4.94 2j6hA1 ASP 244 HB2 0.04 0.05 -0.32 -0.04 2.71 2.43 2j6hA1 ASP 244 HB3 0.04 -0.00 -0.11 -0.04 2.70 2.58 2j6hA1 LYS 245 H -0.08 0.21 0.12 -0.55 8.42 8.11 2j6hA1 LYS 245 HA -0.22 0.09 0.70 -0.75 4.32 4.14 2j6hA1 LYS 245 HB2 -0.21 0.05 0.03 -0.04 1.87 1.70 2j6hA1 LYS 245 HB3 -0.17 0.28 -0.16 -0.04 1.79 1.70 2j6hA1 LYS 245 HG2 -0.62 -0.18 -0.46 -0.04 1.46 0.15 2j6hA1 LYS 245 HG3 -1.44 -0.06 -0.24 -0.04 1.46 -0.32 2j6hA1 LYS 245 HD2 -0.27 0.04 -0.08 -0.04 1.69 1.34 2j6hA1 LYS 245 HD3 -0.26 0.18 -0.21 -0.04 1.68 1.34 2j6hA1 LYS 245 HE2 -0.59 -0.21 -0.10 -0.04 2.99 2.05 2j6hA1 LYS 245 HE3 -0.17 0.03 -0.07 -0.04 2.99 2.74 2j6hA1 GLY 246 H -0.01 -0.01 -0.01 -0.55 8.43 7.86 2j6hA1 GLY 246 HA2 0.00 0.07 0.29 -0.51 4.01 3.86 2j6hA1 GLY 246 HA3 0.08 0.03 0.50 -0.51 4.01 4.11 2j6hA1 ILE 247 H -0.14 0.11 0.17 -0.55 8.25 7.85 2j6hA1 ILE 247 HA -0.15 0.13 0.50 -0.75 4.18 3.90 2j6hA1 ILE 247 HB -0.27 0.03 0.13 -0.04 1.89 1.73 2j6hA1 ILE 247 HG12 -0.96 -0.05 0.04 -0.04 1.49 0.47 2j6hA1 ILE 247 HG13 -1.03 0.01 -0.38 -0.04 1.21 -0.23 2j6hA1 ILE 247 HG23 -0.15 -0.01 0.04 -0.04 0.93 0.78 2j6hA1 ILE 247 HD13 -0.47 0.00 -0.01 -0.04 0.88 0.36 2j6hA1 TYR 248 H 0.06 0.48 -0.46 -0.55 8.29 7.81 2j6hA1 TYR 248 HA -0.11 0.13 0.49 -0.75 4.56 4.32 2j6hA1 TYR 248 HB2 -0.13 0.17 0.16 -0.04 3.06 3.21 2j6hA1 TYR 248 HB3 -0.11 -0.24 0.18 -0.04 2.98 2.76 2j6hA1 TYR 248 HD2 -0.18 0.18 0.06 -0.04 7.15 7.17 2j6hA1 TYR 248 HE2 -0.46 0.02 -0.02 -0.04 6.85 6.35 2j6hA1 ARG 249 H 0.08 0.07 0.20 -0.55 8.46 8.25 2j6hA1 ARG 249 HA -0.15 0.20 0.59 -0.75 4.34 4.23 2j6hA1 ARG 249 HB2 -0.02 0.08 0.10 -0.04 1.90 2.01 2j6hA1 ARG 249 HB3 0.11 -0.08 0.13 -0.04 1.80 1.93 2j6hA1 ARG 249 HG2 -0.44 -0.05 -0.09 -0.04 1.67 1.05 2j6hA1 ARG 249 HG3 -0.29 0.02 0.11 -0.04 1.67 1.47 2j6hA1 ARG 249 HD2 -0.04 0.03 0.02 -0.04 3.22 3.20 2j6hA1 ARG 249 HD3 0.04 -0.00 0.02 -0.04 3.22 3.23 2j6hA1 HIS 250 H 0.07 0.06 0.06 -0.55 8.41 8.06 2j6hA1 HIS 250 HA -0.06 0.27 0.73 -0.75 4.63 4.81 2j6hA1 HIS 250 HB2 0.05 -0.13 0.03 -0.04 3.26 3.17 2j6hA1 HIS 250 HB3 0.08 -0.14 0.11 -0.04 3.20 3.21 2j6hA1 HIS 250 HD2 0.07 -0.12 0.10 -0.04 6.97 6.97 2j6hA1 HIS 250 HE1 0.02 0.10 -0.02 -0.04 7.75 7.80 2j6hA1 TYR 251 H 0.20 0.22 0.13 -0.55 8.29 8.29 2j6hA1 TYR 251 HA -0.02 0.21 0.48 -0.75 4.56 4.47 2j6hA1 TYR 251 HB2 0.01 -0.01 0.10 -0.04 3.06 3.12 2j6hA1 TYR 251 HB3 -0.02 -0.11 0.03 -0.04 2.98 2.84 2j6hA1 TYR 251 HD2 0.00 -0.00 -0.04 -0.04 7.15 7.06 2j6hA1 TYR 251 HE2 -0.00 0.01 -0.26 -0.04 6.85 6.55 2j6hA1 MET 252 H 0.12 0.11 -0.03 -0.55 8.47 8.12 2j6hA1 MET 252 HA -0.03 0.09 0.43 -0.75 4.52 4.26 2j6hA1 MET 252 HB2 0.01 0.02 0.06 -0.04 2.15 2.20 2j6hA1 MET 252 HB3 -0.08 0.01 -0.00 -0.04 2.03 1.92 2j6hA1 MET 252 HG2 -0.15 -0.01 -0.13 -0.04 2.63 2.30 2j6hA1 MET 252 HG3 -0.05 0.07 0.02 -0.04 2.56 2.55 2j6hA1 MET 252 HE3 -0.04 0.03 -0.04 -0.04 2.10 2.01 2j6hA1 GLN 253 H -0.15 0.01 -0.53 -0.55 8.47 7.25 2j6hA1 GLN 253 HA -0.51 0.11 0.22 -0.75 4.36 3.43 2j6hA1 GLN 253 HB2 -0.84 0.05 0.05 -0.04 2.15 1.36 2j6hA1 GLN 253 HB3 -0.10 -0.06 0.17 -0.04 2.02 1.99 2j6hA1 GLN 253 HG2 -0.10 0.03 -0.17 -0.04 2.40 2.12 2j6hA1 GLN 253 HG3 -0.16 0.04 0.01 -0.04 2.39 2.24 2j6hA1 GLN 253 HE21 0.20 0.07 0.01 -0.04 6.97 7.21 2j6hA1 GLN 253 HE22 0.19 0.03 -0.01 -0.04 7.69 7.86 2j6hA1 LYS 254 H -0.28 0.44 0.05 -0.55 8.42 8.08 2j6hA1 LYS 254 HA -1.54 0.02 0.38 -0.75 4.32 2.43 2j6hA1 LYS 254 HB2 -0.28 0.13 0.14 -0.04 1.87 1.82 2j6hA1 LYS 254 HB3 -0.17 0.02 0.23 -0.04 1.79 1.83 2j6hA1 LYS 254 HG2 -0.13 0.00 -0.50 -0.04 1.46 0.79 2j6hA1 LYS 254 HG3 -0.15 -0.05 -0.07 -0.04 1.46 1.15 2j6hA1 LYS 254 HD2 0.02 -0.10 -0.23 -0.04 1.69 1.33 2j6hA1 LYS 254 HD3 0.03 0.05 0.09 -0.04 1.68 1.81 2j6hA1 LYS 254 HE2 0.03 -0.03 -0.12 -0.04 2.99 2.83 2j6hA1 LYS 254 HE3 0.04 -0.09 -0.12 -0.04 2.99 2.77 2j6hA1 GLU 255 H -0.15 0.52 -0.41 -0.55 8.60 8.02 2j6hA1 GLU 255 HA -0.07 0.05 0.36 -0.75 4.29 3.87 2j6hA1 GLU 255 HB2 -0.05 0.17 0.20 -0.04 2.09 2.37 2j6hA1 GLU 255 HB3 -0.05 -0.25 0.10 -0.04 1.99 1.76 2j6hA1 GLU 255 HG2 -0.02 -0.01 0.09 -0.04 2.34 2.36 2j6hA1 GLU 255 HG3 -0.01 0.06 0.06 -0.04 2.34 2.41 2j6hA1 ILE 256 H -0.15 0.51 -0.21 -0.55 8.25 7.85 2j6hA1 ILE 256 HA -0.11 -0.05 0.47 -0.75 4.18 3.74 2j6hA1 ILE 256 HB -0.11 0.14 0.20 -0.04 1.89 2.07 2j6hA1 ILE 256 HG12 -0.11 -0.08 -0.01 -0.04 1.49 1.25 2j6hA1 ILE 256 HG13 -0.13 0.07 0.01 -0.04 1.21 1.12 2j6hA1 ILE 256 HG23 -0.25 -0.02 -0.12 -0.04 0.93 0.50 2j6hA1 ILE 256 HD13 -0.17 -0.02 -0.20 -0.04 0.88 0.46 2j6hA1 TYR 257 H 0.03 0.46 -0.00 -0.55 8.29 8.23 2j6hA1 TYR 257 HA -0.06 0.06 0.41 -0.75 4.56 4.22 2j6hA1 TYR 257 HB2 -0.40 0.04 0.10 -0.04 3.06 2.76 2j6hA1 TYR 257 HB3 0.03 -0.01 0.09 -0.04 2.98 3.05 2j6hA1 TYR 257 HD2 -0.06 0.11 0.05 -0.04 7.15 7.21 2j6hA1 TYR 257 HE2 0.04 0.00 -0.00 -0.04 6.85 6.85 2j6hA1 GLU 258 H -0.06 0.30 -0.54 -0.55 8.60 7.75 2j6hA1 GLU 258 HA 0.01 0.09 0.63 -0.75 4.29 4.27 2j6hA1 GLU 258 HB2 -0.06 0.26 0.12 -0.04 2.09 2.36 2j6hA1 GLU 258 HB3 -0.03 -0.01 0.00 -0.04 1.99 1.90 2j6hA1 GLU 258 HG2 -0.01 -0.07 0.09 -0.04 2.34 2.31 2j6hA1 GLU 258 HG3 -0.01 -0.01 0.01 -0.04 2.34 2.29 2j6hA1 GLN 259 H -0.05 0.43 -0.26 -0.55 8.47 8.04 2j6hA1 GLN 259 HA -0.03 -0.04 0.23 -0.75 4.36 3.78 2j6hA1 GLN 259 HB2 -0.05 0.10 0.11 -0.04 2.15 2.26 2j6hA1 GLN 259 HB3 -0.03 -0.10 0.04 -0.04 2.02 1.90 2j6hA1 GLN 259 HG2 -0.04 -0.15 0.10 -0.04 2.40 2.28 2j6hA1 GLN 259 HG3 -0.07 0.46 0.27 -0.04 2.39 3.00 2j6hA1 GLN 259 HE21 -0.07 -0.08 -0.01 -0.04 6.97 6.77 2j6hA1 GLN 259 HE22 -0.12 0.32 0.15 -0.04 7.69 7.99 2j6hA1 PRO 260 HA -0.01 -0.01 0.43 -0.51 4.44 4.34 2j6hA1 PRO 260 HB2 0.01 0.04 0.01 -0.04 2.28 2.30 2j6hA1 PRO 260 HB3 0.00 0.12 0.10 -0.04 2.02 2.20 2j6hA1 PRO 260 HG2 0.01 0.11 0.05 -0.04 2.03 2.15 2j6hA1 PRO 260 HG3 -0.02 -0.01 -0.00 -0.04 2.03 1.96 2j6hA1 PRO 260 HD2 -0.01 0.27 -0.38 -0.04 3.68 3.52 2j6hA1 PRO 260 HD3 -0.05 0.09 0.01 -0.04 3.65 3.66 2j6hA1 ASN 261 H -0.00 0.27 -0.27 -0.55 8.53 7.99 2j6hA1 ASN 261 HA -0.01 0.05 0.50 -0.75 4.76 4.55 2j6hA1 ASN 261 HB2 0.01 -0.03 0.12 -0.04 2.88 2.94 2j6hA1 ASN 261 HB3 0.00 0.11 0.09 -0.04 2.79 2.94 2j6hA1 ASN 261 HD21 -0.00 -0.01 -0.01 -0.04 7.03 6.96 2j6hA1 ASN 261 HD22 -0.01 0.05 -0.14 -0.04 7.74 7.60 2j6hA1 ALA 262 H -0.01 0.51 -0.08 -0.55 8.40 8.27 2j6hA1 ALA 262 HA -0.02 0.10 0.42 -0.75 4.34 4.09 2j6hA1 ALA 262 HB3 -0.02 -0.01 0.07 -0.04 1.41 1.40 2j6hA1 ILE 263 H -0.02 0.79 0.08 -0.55 8.25 8.55 2j6hA1 ILE 263 HA -0.03 0.00 0.48 -0.75 4.18 3.88 2j6hA1 ILE 263 HB -0.02 0.09 0.11 -0.04 1.89 2.03 2j6hA1 ILE 263 HG12 -0.02 -0.02 -0.09 -0.04 1.49 1.31 2j6hA1 ILE 263 HG13 -0.02 0.06 0.04 -0.04 1.21 1.24 2j6hA1 ILE 263 HG23 -0.03 -0.01 -0.09 -0.04 0.93 0.76 2j6hA1 ILE 263 HD13 -0.01 -0.03 -0.13 -0.04 0.88 0.67 2j6hA1 LYS 264 H -0.02 0.45 -0.24 -0.55 8.42 8.06 2j6hA1 LYS 264 HA -0.03 -0.01 0.40 -0.75 4.32 3.93 2j6hA1 LYS 264 HB2 -0.02 0.18 0.24 -0.04 1.87 2.23 2j6hA1 LYS 264 HB3 -0.02 0.17 0.16 -0.04 1.79 2.06 2j6hA1 LYS 264 HG2 -0.02 -0.05 0.11 -0.04 1.46 1.45 2j6hA1 LYS 264 HG3 -0.02 -0.03 0.06 -0.04 1.46 1.43 2j6hA1 LYS 264 HD2 -0.01 -0.04 0.00 -0.04 1.69 1.60 2j6hA1 LYS 264 HD3 -0.01 0.02 0.01 -0.04 1.68 1.66 2j6hA1 LYS 264 HE2 -0.01 0.05 -0.13 -0.04 2.99 2.85 2j6hA1 LYS 264 HE3 -0.02 -0.04 -0.09 -0.04 2.99 2.80 2j6hA1 ASN 265 H -0.02 0.43 -0.31 -0.55 8.53 8.08 2j6hA1 ASN 265 HA -0.02 -0.02 0.54 -0.75 4.76 4.51 2j6hA1 ASN 265 HB2 -0.02 0.20 0.20 -0.04 2.88 3.22 2j6hA1 ASN 265 HB3 -0.02 -0.03 0.11 -0.04 2.79 2.81 2j6hA1 ASN 265 HD21 -0.01 -0.13 -0.03 -0.04 7.03 6.82 2j6hA1 ASN 265 HD22 -0.02 0.04 0.01 -0.04 7.74 7.74 2j6hA1 THR 266 H -0.03 0.30 -0.16 -0.55 8.28 7.84 2j6hA1 THR 266 HA -0.03 0.13 0.51 -0.75 4.39 4.25 2j6hA1 THR 266 HB -0.03 0.04 0.13 -0.04 4.32 4.42 2j6hA1 THR 266 HG23 -0.03 -0.02 0.06 -0.04 1.22 1.18 2j6hA1 LEU 267 H -0.03 0.34 -0.30 -0.55 8.37 7.83 2j6hA1 LEU 267 HA -0.04 0.04 0.37 -0.75 4.35 3.97 2j6hA1 LEU 267 HB2 -0.04 0.14 0.04 -0.04 1.64 1.74 2j6hA1 LEU 267 HB3 -0.05 -0.13 0.01 -0.04 1.64 1.42 2j6hA1 LEU 267 HG -0.04 0.28 0.02 -0.04 1.64 1.85 2j6hA1 LEU 267 HD13 -0.05 -0.01 -0.13 -0.04 0.93 0.69 2j6hA1 LEU 267 HD23 -0.06 -0.03 -0.13 -0.04 0.89 0.63 2j6hA1 THR 268 H -0.03 0.23 -0.39 -0.55 8.28 7.55 2j6hA1 THR 268 HA -0.02 -0.10 0.34 -0.75 4.39 3.85 2j6hA1 THR 268 HB -0.02 0.19 0.14 -0.04 4.32 4.58 2j6hA1 THR 268 HG23 -0.01 -0.03 -0.10 -0.04 1.22 1.03 2j6hA1 GLY 269 H -0.02 0.08 0.24 -0.55 8.43 8.19 2j6hA1 GLY 269 HA2 -0.01 -0.01 0.37 -0.51 4.01 3.85 2j6hA1 GLY 269 HA3 -0.01 0.07 0.47 -0.51 4.01 4.03 2j6hA1 ARG 270 H -0.02 0.40 0.01 -0.55 8.46 8.29 2j6hA1 ARG 270 HA -0.02 0.35 1.02 -0.75 4.34 4.94 2j6hA1 ARG 270 HB2 -0.03 0.14 -0.03 -0.04 1.90 1.93 2j6hA1 ARG 270 HB3 -0.03 -0.16 0.07 -0.04 1.80 1.65 2j6hA1 ARG 270 HG2 -0.02 -0.03 -0.06 -0.04 1.67 1.52 2j6hA1 ARG 270 HG3 -0.02 0.17 -0.49 -0.04 1.67 1.29 2j6hA1 ARG 270 HD2 -0.03 0.47 -0.01 -0.04 3.22 3.61 2j6hA1 ARG 270 HD3 -0.02 -0.17 -0.03 -0.04 3.22 2.95 2j6hA1 ILE 271 H -0.03 0.10 0.15 -0.55 8.25 7.93 2j6hA1 ILE 271 HA -0.03 0.24 0.73 -0.75 4.18 4.36 2j6hA1 ILE 271 HB -0.04 -0.03 0.11 -0.04 1.89 1.89 2j6hA1 ILE 271 HG12 -0.05 0.11 -0.07 -0.04 1.49 1.44 2j6hA1 ILE 271 HG13 -0.06 -0.00 -0.07 -0.04 1.21 1.04 2j6hA1 ILE 271 HG23 -0.06 -0.03 -0.25 -0.04 0.93 0.55 2j6hA1 ILE 271 HD13 -0.06 0.03 -0.19 -0.04 0.88 0.62 2j6hA1 SER 272 H -0.01 0.84 0.05 -0.55 8.46 8.79 2j6hA1 SER 272 HA 0.02 0.07 0.77 -0.75 4.49 4.60 2j6hA1 SER 272 HB2 0.00 0.05 -0.27 -0.04 3.95 3.70 2j6hA1 SER 272 HB3 0.01 0.07 -0.06 -0.04 3.93 3.91 2j6hA1 HIS 273 H 0.08 0.18 0.10 -0.55 8.41 8.23 2j6hA1 HIS 273 HA -0.02 0.04 0.31 -0.75 4.63 4.22 2j6hA1 HIS 273 HB2 -0.01 -0.04 -0.31 -0.04 3.26 2.86 2j6hA1 HIS 273 HB3 -0.01 0.11 0.21 -0.04 3.20 3.46 2j6hA1 HIS 273 HD2 -0.00 0.02 0.04 -0.04 6.97 6.99 2j6hA1 HIS 273 HE1 -0.00 0.00 0.01 -0.04 7.75 7.71 2j6hA1 GLY 274 H -0.03 0.06 -0.24 -0.55 8.43 7.67 2j6hA1 GLY 274 HA2 -0.10 -0.01 0.21 -0.51 4.01 3.60 2j6hA1 GLY 274 HA3 -0.09 0.11 0.38 -0.51 4.01 3.90 2j6hA1 GLN 275 H 0.01 0.38 -0.75 -0.55 8.47 7.56 2j6hA1 GLN 275 HA -0.03 0.13 0.84 -0.75 4.36 4.54 2j6hA1 GLN 275 HB2 0.02 0.11 -0.03 -0.04 2.15 2.21 2j6hA1 GLN 275 HB3 0.01 -0.00 0.02 -0.04 2.02 2.00 2j6hA1 GLN 275 HG2 0.02 -0.04 -0.17 -0.04 2.40 2.17 2j6hA1 GLN 275 HG3 0.04 0.26 -0.14 -0.04 2.39 2.51 2j6hA1 GLN 275 HE21 0.08 -0.05 0.01 -0.04 6.97 6.97 2j6hA1 GLN 275 HE22 0.15 0.11 0.06 -0.04 7.69 7.96 2j6hA1 VAL 276 H -0.03 0.09 0.10 -0.55 8.24 7.85 2j6hA1 VAL 276 HA -0.03 0.24 0.64 -0.75 4.13 4.23 2j6hA1 VAL 276 HB -0.03 -0.06 0.14 -0.04 2.12 2.13 2j6hA1 VAL 276 HG13 -0.03 0.06 -0.06 -0.04 0.97 0.90 2j6hA1 VAL 276 HG23 -0.06 -0.00 0.06 -0.04 0.95 0.90 2j6hA1 ASP 277 H -0.02 1.24 0.35 -0.55 8.40 9.42 2j6hA1 ASP 277 HA -0.01 0.11 0.94 -0.75 4.63 4.92 2j6hA1 ASP 277 HB2 -0.00 0.06 -0.08 -0.04 2.71 2.64 2j6hA1 ASP 277 HB3 -0.01 0.01 -0.13 -0.04 2.70 2.52 2j6hA1 LEU 278 H -0.01 0.24 -0.00 -0.55 8.37 8.06 2j6hA1 LEU 278 HA -0.01 0.22 0.74 -0.75 4.35 4.55 2j6hA1 LEU 278 HB2 -0.00 0.03 0.03 -0.04 1.64 1.66 2j6hA1 LEU 278 HB3 -0.00 -0.02 0.14 -0.04 1.64 1.72 2j6hA1 LEU 278 HG -0.01 -0.01 -0.23 -0.04 1.64 1.35 2j6hA1 LEU 278 HD13 0.01 0.01 -0.08 -0.04 0.93 0.82 2j6hA1 LEU 278 HD23 -0.01 0.04 -0.15 -0.04 0.89 0.73 2j6hA1 SER 279 H -0.01 0.17 -0.44 -0.55 8.46 7.63 2j6hA1 SER 279 HA -0.00 0.08 0.30 -0.75 4.49 4.11 2j6hA1 SER 279 HB2 -0.01 0.02 0.03 -0.04 3.95 3.95 2j6hA1 SER 279 HB3 -0.01 0.00 0.05 -0.04 3.93 3.93 2j6hA1 GLU 280 H -0.01 0.13 -0.51 -0.55 8.60 7.66 2j6hA1 GLU 280 HA -0.01 0.08 0.42 -0.75 4.29 4.03 2j6hA1 GLU 280 HB2 -0.01 0.00 0.10 -0.04 2.09 2.14 2j6hA1 GLU 280 HB3 -0.01 0.04 0.07 -0.04 1.99 2.06 2j6hA1 GLU 280 HG2 -0.01 -0.07 -0.04 -0.04 2.34 2.19 2j6hA1 GLU 280 HG3 -0.01 0.04 -0.17 -0.04 2.34 2.16 2j6hA1 LEU 281 H -0.01 0.46 -0.18 -0.55 8.37 8.10 2j6hA1 LEU 281 HA -0.01 0.06 0.51 -0.75 4.35 4.16 2j6hA1 LEU 281 HB2 -0.00 0.06 0.05 -0.04 1.64 1.71 2j6hA1 LEU 281 HB3 -0.00 -0.05 0.10 -0.04 1.64 1.64 2j6hA1 LEU 281 HG -0.00 0.01 0.06 -0.04 1.64 1.67 2j6hA1 LEU 281 HD13 0.00 -0.02 -0.04 -0.04 0.93 0.84 2j6hA1 LEU 281 HD23 -0.01 -0.00 -0.07 -0.04 0.89 0.77 2j6hA1 GLY 282 H -0.00 0.31 -0.53 -0.55 8.43 7.65 2j6hA1 GLY 282 HA2 -0.00 0.09 0.30 -0.51 4.01 3.88 2j6hA1 GLY 282 HA3 -0.00 0.16 0.73 -0.51 4.01 4.39 2j6hA1 PRO 283 HA -0.00 0.07 0.30 -0.51 4.44 4.29 2j6hA1 PRO 283 HB2 -0.00 0.04 0.03 -0.04 2.28 2.30 2j6hA1 PRO 283 HB3 -0.00 0.03 0.12 -0.04 2.02 2.13 2j6hA1 PRO 283 HG2 -0.00 0.06 0.09 -0.04 2.03 2.14 2j6hA1 PRO 283 HG3 -0.00 0.05 0.11 -0.04 2.03 2.15 2j6hA1 PRO 283 HD2 -0.00 0.13 0.18 -0.04 3.68 3.95 2j6hA1 PRO 283 HD3 -0.00 0.16 0.24 -0.04 3.65 4.00 2j6hA1 ASN 284 H -0.00 0.18 -0.40 -0.55 8.53 7.76 2j6hA1 ASN 284 HA 0.00 0.21 0.88 -0.75 4.76 5.10 2j6hA1 ASN 284 HB2 0.00 0.05 0.02 -0.04 2.88 2.91 2j6hA1 ASN 284 HB3 0.00 0.00 0.17 -0.04 2.79 2.92 2j6hA1 ASN 284 HD21 0.00 0.02 -0.04 -0.04 7.03 6.97 2j6hA1 ASN 284 HD22 0.00 0.02 -0.02 -0.04 7.74 7.70 2j6hA1 ALA 285 H 0.00 0.45 -0.20 -0.55 8.40 8.10 2j6hA1 ALA 285 HA 0.00 0.12 0.43 -0.75 4.34 4.14 2j6hA1 ALA 285 HB3 0.00 0.04 -0.06 -0.04 1.41 1.35 2j6hA1 ASP 286 H 0.00 0.17 -0.10 -0.55 8.40 7.92 2j6hA1 ASP 286 HA 0.01 0.06 0.32 -0.75 4.63 4.26 2j6hA1 ASP 286 HB2 0.00 0.02 -0.00 -0.04 2.71 2.69 2j6hA1 ASP 286 HB3 0.01 0.09 -0.04 -0.04 2.70 2.71 2j6hA1 GLU 287 H 0.00 0.07 -0.62 -0.55 8.60 7.51 2j6hA1 GLU 287 HA 0.01 0.09 0.51 -0.75 4.29 4.14 2j6hA1 GLU 287 HB2 0.00 0.30 0.10 -0.04 2.09 2.45 2j6hA1 GLU 287 HB3 0.00 0.02 -0.05 -0.04 1.99 1.93 2j6hA1 GLU 287 HG2 0.00 0.03 0.02 -0.04 2.34 2.35 2j6hA1 GLU 287 HG3 0.00 -0.07 -0.01 -0.04 2.34 2.23 2j6hA1 LEU 288 H 0.01 0.28 -0.12 -0.55 8.37 7.99 2j6hA1 LEU 288 HA 0.01 0.10 0.48 -0.75 4.35 4.18 2j6hA1 LEU 288 HB2 0.01 0.01 0.09 -0.04 1.64 1.71 2j6hA1 LEU 288 HB3 0.01 0.05 0.20 -0.04 1.64 1.85 2j6hA1 LEU 288 HG 0.01 -0.04 -0.28 -0.04 1.64 1.29 2j6hA1 LEU 288 HD13 0.02 -0.01 -0.06 -0.04 0.93 0.83 2j6hA1 LEU 288 HD23 0.01 -0.02 -0.07 -0.04 0.89 0.77 2j6hA1 LEU 289 H 0.01 0.61 0.05 -0.55 8.37 8.49 2j6hA1 LEU 289 HA 0.01 -0.01 0.25 -0.75 4.35 3.84 2j6hA1 LEU 289 HB2 0.01 0.00 -0.03 -0.04 1.64 1.59 2j6hA1 LEU 289 HB3 0.02 -0.00 -0.02 -0.04 1.64 1.59 2j6hA1 LEU 289 HG 0.01 0.17 -0.04 -0.04 1.64 1.73 2j6hA1 LEU 289 HD13 0.01 -0.03 -0.15 -0.04 0.93 0.72 2j6hA1 LEU 289 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.75 2j6hA1 SER 290 H 0.01 0.30 -0.60 -0.55 8.46 7.63 2j6hA1 SER 290 HA 0.01 0.07 0.43 -0.75 4.49 4.25 2j6hA1 SER 290 HB2 0.01 0.07 0.05 -0.04 3.95 4.04 2j6hA1 SER 290 HB3 0.01 -0.02 0.03 -0.04 3.93 3.91 2j6hA1 LYS 291 H 0.01 0.44 -0.19 -0.55 8.42 8.13 2j6hA1 LYS 291 HA 0.01 0.08 0.62 -0.75 4.32 4.27 2j6hA1 LYS 291 HB2 0.01 -0.02 0.05 -0.04 1.87 1.87 2j6hA1 LYS 291 HB3 0.01 -0.10 0.13 -0.04 1.79 1.79 2j6hA1 LYS 291 HG2 0.01 -0.01 0.07 -0.04 1.46 1.49 2j6hA1 LYS 291 HG3 0.01 0.07 0.21 -0.04 1.46 1.71 2j6hA1 LYS 291 HD2 0.01 -0.05 0.03 -0.04 1.69 1.64 2j6hA1 LYS 291 HD3 0.01 -0.03 0.02 -0.04 1.68 1.63 2j6hA1 LYS 291 HE2 0.01 -0.04 0.02 -0.04 2.99 2.95 2j6hA1 LYS 291 HE3 0.01 -0.06 0.01 -0.04 2.99 2.90 2j6hA1 VAL 292 H 0.01 0.24 -0.48 -0.55 8.24 7.46 2j6hA1 VAL 292 HA 0.02 0.01 0.20 -0.75 4.13 3.61 2j6hA1 VAL 292 HB 0.00 0.18 0.14 -0.04 2.12 2.39 2j6hA1 VAL 292 HG13 -0.03 -0.03 -0.17 -0.04 0.97 0.70 2j6hA1 VAL 292 HG23 0.00 -0.04 -0.03 -0.04 0.95 0.84 2j6hA1 GLU 293 H 0.04 0.65 0.46 -0.55 8.60 9.20 2j6hA1 GLU 293 HA 0.03 0.23 1.03 -0.75 4.29 4.82 2j6hA1 GLU 293 HB2 0.04 0.06 0.09 -0.04 2.09 2.24 2j6hA1 GLU 293 HB3 0.04 -0.11 0.18 -0.04 1.99 2.06 2j6hA1 GLU 293 HG2 0.02 0.01 -0.04 -0.04 2.34 2.29 2j6hA1 GLU 293 HG3 0.02 0.33 -0.18 -0.04 2.34 2.47 2j6hA1 HIS 294 H 0.06 0.22 0.23 -0.55 8.41 8.38 2j6hA1 HIS 294 HA -0.02 0.24 0.74 -0.75 4.63 4.83 2j6hA1 HIS 294 HB2 -0.01 0.10 -0.23 -0.04 3.26 3.09 2j6hA1 HIS 294 HB3 -0.00 -0.04 -0.23 -0.04 3.20 2.89 2j6hA1 HIS 294 HD2 -0.00 0.01 -0.08 -0.04 6.97 6.86 2j6hA1 HIS 294 HE1 0.05 -0.10 -0.30 -0.04 7.75 7.35 2j6hA1 ILE 295 H -0.91 0.75 0.30 -0.55 8.25 7.83 2j6hA1 ILE 295 HA -0.18 0.18 1.17 -0.75 4.18 4.60 2j6hA1 ILE 295 HB -0.53 0.02 0.09 -0.04 1.89 1.43 2j6hA1 ILE 295 HG12 -0.32 -0.01 -0.09 -0.04 1.49 1.03 2j6hA1 ILE 295 HG13 -0.28 0.01 -0.51 -0.04 1.21 0.39 2j6hA1 ILE 295 HG23 -0.43 -0.02 -0.23 -0.04 0.93 0.20 2j6hA1 ILE 295 HD13 -0.88 0.00 -0.17 -0.04 0.88 -0.21 2j6hA1 GLN 296 H -0.05 0.70 0.31 -0.55 8.47 8.89 2j6hA1 GLN 296 HA -0.00 0.21 0.93 -0.75 4.36 4.74 2j6hA1 GLN 296 HB2 0.33 -0.02 -0.06 -0.04 2.15 2.36 2j6hA1 GLN 296 HB3 0.00 0.01 0.08 -0.04 2.02 2.07 2j6hA1 GLN 296 HG2 -0.09 0.00 -0.11 -0.04 2.40 2.16 2j6hA1 GLN 296 HG3 -0.29 -0.03 -0.29 -0.04 2.39 1.74 2j6hA1 GLN 296 HE21 0.05 -0.12 -0.30 -0.04 6.97 6.56 2j6hA1 GLN 296 HE22 -0.11 0.16 -0.10 -0.04 7.69 7.60 2j6hA1 ILE 297 H -0.08 0.64 0.40 -0.55 8.25 8.67 2j6hA1 ILE 297 HA -0.12 0.43 1.09 -0.75 4.18 4.83 2j6hA1 ILE 297 HB -0.05 -0.10 0.13 -0.04 1.89 1.84 2j6hA1 ILE 297 HG12 -0.11 0.08 -0.25 -0.04 1.49 1.17 2j6hA1 ILE 297 HG13 -0.11 0.06 -0.22 -0.04 1.21 0.90 2j6hA1 ILE 297 HG23 -0.03 -0.03 -0.16 -0.04 0.93 0.68 2j6hA1 ILE 297 HD13 0.04 -0.00 -0.12 -0.04 0.88 0.76 2j6hA1 LEU 298 H -0.12 0.60 0.41 -0.55 8.37 8.71 2j6hA1 LEU 298 HA -0.05 0.34 0.99 -0.75 4.35 4.88 2j6hA1 LEU 298 HB2 -0.17 -0.01 0.12 -0.04 1.64 1.54 2j6hA1 LEU 298 HB3 -0.13 -0.10 0.11 -0.04 1.64 1.48 2j6hA1 LEU 298 HG -0.47 0.01 -0.28 -0.04 1.64 0.86 2j6hA1 LEU 298 HD13 -0.59 0.01 -0.13 -0.04 0.93 0.18 2j6hA1 LEU 298 HD23 -0.55 0.06 -0.12 -0.04 0.89 0.24 2j6hA1 ALA 299 H 0.07 0.51 0.39 -0.55 8.40 8.83 2j6hA1 ALA 299 HA 0.01 0.09 0.45 -0.75 4.34 4.13 2j6hA1 ALA 299 HB3 0.07 -0.01 -0.07 -0.04 1.41 1.36 2j6hA1 CYS 300 H 0.04 0.27 0.25 -0.55 8.50 8.51 2j6hA1 CYS 300 HA -0.04 0.20 0.95 -0.75 4.58 4.94 2j6hA1 CYS 300 HB2 -0.02 -0.01 0.10 -0.04 2.97 2.99 2j6hA1 CYS 300 HB3 -0.04 0.10 0.14 -0.04 2.97 3.12 2j6hA1 GLY 301 H -0.04 0.22 0.18 -0.55 8.43 8.23 2j6hA1 GLY 301 HA2 -0.01 0.19 0.37 -0.51 4.01 4.05 2j6hA1 GLY 301 HA3 -0.02 0.08 0.46 -0.51 4.01 4.02 2j6hA1 THR 302 H -0.02 0.22 0.29 -0.55 8.28 8.22 2j6hA1 THR 302 HA -0.08 0.13 0.36 -0.75 4.39 4.05 2j6hA1 THR 302 HB -0.02 -0.03 0.22 -0.04 4.32 4.45 2j6hA1 THR 302 HG23 -0.08 0.01 -0.10 -0.04 1.22 1.02 2j6hA1 SER 303 H 0.06 0.29 0.07 -0.55 8.46 8.33 2j6hA1 SER 303 HA 0.11 0.07 0.40 -0.75 4.49 4.32 2j6hA1 SER 303 HB2 0.05 0.07 0.21 -0.04 3.95 4.24 2j6hA1 SER 303 HB3 0.04 0.13 -0.09 -0.04 3.93 3.97 2j6hA1 TYR 304 H 0.16 0.29 -0.74 -0.55 8.29 7.45 2j6hA1 TYR 304 HA -0.00 0.07 0.29 -0.75 4.56 4.17 2j6hA1 TYR 304 HB2 -0.02 -0.12 -0.57 -0.04 3.06 2.32 2j6hA1 TYR 304 HB3 -0.02 0.28 -0.28 -0.04 2.98 2.92 2j6hA1 TYR 304 HD2 -0.03 0.07 -0.29 -0.04 7.15 6.86 2j6hA1 TYR 304 HE2 -0.01 0.03 -0.32 -0.04 6.85 6.51 2j6hA1 ASN 305 H 0.07 0.31 -0.28 -0.55 8.53 8.09 2j6hA1 ASN 305 HA -0.19 0.04 0.46 -0.75 4.76 4.31 2j6hA1 ASN 305 HB2 -0.01 0.12 0.11 -0.04 2.88 3.06 2j6hA1 ASN 305 HB3 -0.05 0.06 0.00 -0.04 2.79 2.76 2j6hA1 ASN 305 HD21 -0.11 0.03 -0.25 -0.04 7.03 6.66 2j6hA1 ASN 305 HD22 -0.20 -0.03 -0.06 -0.04 7.74 7.40 2j6hA1 SER 306 H 0.19 0.39 -0.24 -0.55 8.46 8.25 2j6hA1 SER 306 HA -0.07 0.05 0.35 -0.75 4.49 4.07 2j6hA1 SER 306 HB2 -0.23 -0.01 -0.01 -0.04 3.95 3.66 2j6hA1 SER 306 HB3 0.01 0.01 0.08 -0.04 3.93 3.99 2j6hA1 GLY 307 H -0.05 0.41 -0.29 -0.55 8.43 7.95 2j6hA1 GLY 307 HA2 -0.01 0.04 0.32 -0.51 4.01 3.84 2j6hA1 GLY 307 HA3 -0.08 0.06 0.16 -0.51 4.01 3.64 2j6hA1 MET 308 H -0.26 0.40 -0.40 -0.55 8.47 7.66 2j6hA1 MET 308 HA -0.16 0.02 0.26 -0.75 4.52 3.89 2j6hA1 MET 308 HB2 -0.21 0.18 0.14 -0.04 2.15 2.22 2j6hA1 MET 308 HB3 -0.14 -0.06 -0.01 -0.04 2.03 1.77 2j6hA1 MET 308 HG2 -0.87 0.27 0.02 -0.04 2.63 2.01 2j6hA1 MET 308 HG3 -0.54 -0.10 -0.07 -0.04 2.56 1.81 2j6hA1 MET 308 HE3 -0.01 -0.01 -0.07 -0.04 2.10 1.97 2j6hA1 VAL 309 H -0.16 0.53 -0.20 -0.55 8.24 7.86 2j6hA1 VAL 309 HA -0.25 -0.00 0.46 -0.75 4.13 3.58 2j6hA1 VAL 309 HB -0.43 0.12 0.14 -0.04 2.12 1.90 2j6hA1 VAL 309 HG13 -1.13 -0.01 -0.07 -0.04 0.97 -0.29 2j6hA1 VAL 309 HG23 -0.13 0.06 -0.05 -0.04 0.95 0.79 2j6hA1 SER 310 H -0.20 0.56 -0.12 -0.55 8.46 8.15 2j6hA1 SER 310 HA -0.12 -0.05 0.20 -0.75 4.49 3.77 2j6hA1 SER 310 HB2 0.16 -0.03 0.02 -0.04 3.95 4.05 2j6hA1 SER 310 HB3 0.11 0.00 0.06 -0.04 3.93 4.06 2j6hA1 ARG 311 H -0.02 0.41 -0.57 -0.55 8.46 7.74 2j6hA1 ARG 311 HA 0.19 0.01 0.30 -0.75 4.34 4.09 2j6hA1 ARG 311 HB2 -0.02 0.00 -0.03 -0.04 1.90 1.81 2j6hA1 ARG 311 HB3 -0.08 0.19 0.06 -0.04 1.80 1.93 2j6hA1 ARG 311 HG2 -0.19 -0.04 -0.27 -0.04 1.67 1.12 2j6hA1 ARG 311 HG3 -0.04 0.03 -0.01 -0.04 1.67 1.60 2j6hA1 ARG 311 HD2 -0.05 -0.06 -0.09 -0.04 3.22 2.97 2j6hA1 ARG 311 HD3 -0.11 -0.03 -0.03 -0.04 3.22 3.01 2j6hA1 TYR 312 H 0.08 0.52 -0.05 -0.55 8.29 8.28 2j6hA1 TYR 312 HA -0.00 0.05 0.60 -0.75 4.56 4.45 2j6hA1 TYR 312 HB2 -0.34 0.21 0.20 -0.04 3.06 3.10 2j6hA1 TYR 312 HB3 -0.09 -0.10 0.04 -0.04 2.98 2.79 2j6hA1 TYR 312 HD2 -0.08 0.16 0.08 -0.04 7.15 7.27 2j6hA1 TYR 312 HE2 0.03 -0.04 -0.04 -0.04 6.85 6.76 2j6hA1 TRP 313 H -0.03 0.25 -0.24 -0.55 7.97 7.41 2j6hA1 TRP 313 HA -0.01 -0.02 0.44 -0.75 4.62 4.27 2j6hA1 TRP 313 HB2 -0.27 0.14 0.16 -0.04 3.23 3.23 2j6hA1 TRP 313 HB3 -0.23 -0.02 0.00 -0.04 3.23 2.93 2j6hA1 TRP 313 HD1 -0.01 -0.04 -0.06 -0.04 7.22 7.07 2j6hA1 TRP 313 HE1 -0.03 0.00 0.04 -0.04 10.20 10.18 2j6hA1 TRP 313 HE3 -0.21 -0.00 -0.07 -0.04 7.59 7.27 2j6hA1 TRP 313 HZ2 -0.04 -0.04 0.03 -0.04 7.44 7.36 2j6hA1 TRP 313 HZ3 -0.13 0.03 0.05 -0.04 7.13 7.04 2j6hA1 TRP 313 HH2 -0.10 -0.08 -0.05 -0.04 7.19 6.92 2j6hA1 PHE 314 H 0.13 0.71 0.07 -0.55 8.34 8.69 2j6hA1 PHE 314 HA 0.08 -0.02 0.42 -0.75 4.62 4.34 2j6hA1 PHE 314 HB2 0.02 0.01 0.10 -0.04 3.15 3.23 2j6hA1 PHE 314 HB3 0.01 0.19 -0.05 -0.04 3.06 3.17 2j6hA1 PHE 314 HD2 0.03 0.02 -0.19 -0.04 7.28 7.10 2j6hA1 PHE 314 HE2 0.03 -0.03 -0.19 -0.04 7.38 7.15 2j6hA1 PHE 314 HZ 0.03 -0.02 -0.08 -0.04 7.32 7.21 2j6hA1 GLU 315 H 0.17 0.40 -0.18 -0.55 8.60 8.44 2j6hA1 GLU 315 HA 0.09 0.07 0.14 -0.75 4.29 3.83 2j6hA1 GLU 315 HB2 0.03 0.05 0.15 -0.04 2.09 2.28 2j6hA1 GLU 315 HB3 0.03 -0.04 -0.02 -0.04 1.99 1.92 2j6hA1 GLU 315 HG2 0.04 0.17 -0.06 -0.04 2.34 2.45 2j6hA1 GLU 315 HG3 0.02 0.12 0.15 -0.04 2.34 2.58 2j6hA1 SER 316 H 0.13 0.47 -0.08 -0.55 8.46 8.43 2j6hA1 SER 316 HA 0.08 0.14 0.55 -0.75 4.49 4.50 2j6hA1 SER 316 HB2 0.10 -0.07 0.06 -0.04 3.95 4.00 2j6hA1 SER 316 HB3 0.12 -0.06 0.10 -0.04 3.93 4.05 2j6hA1 LEU 317 H 0.12 0.59 0.06 -0.55 8.37 8.59 2j6hA1 LEU 317 HA 0.05 0.09 0.74 -0.75 4.35 4.47 2j6hA1 LEU 317 HB2 0.02 0.12 0.13 -0.04 1.64 1.87 2j6hA1 LEU 317 HB3 -0.01 -0.05 -0.01 -0.04 1.64 1.53 2j6hA1 LEU 317 HG 0.13 -0.04 0.01 -0.04 1.64 1.69 2j6hA1 LEU 317 HD13 -0.12 -0.03 0.01 -0.04 0.93 0.75 2j6hA1 LEU 317 HD23 0.02 -0.00 -0.03 -0.04 0.89 0.84 2j6hA1 ALA 318 H 0.09 0.33 0.11 -0.55 8.40 8.38 2j6hA1 ALA 318 HA 0.05 0.10 0.69 -0.75 4.34 4.42 2j6hA1 ALA 318 HB3 0.11 0.01 0.06 -0.04 1.41 1.55 2j6hA1 GLY 319 H 0.08 0.13 -0.33 -0.55 8.43 7.76 2j6hA1 GLY 319 HA2 0.06 0.22 0.31 -0.51 4.01 4.08 2j6hA1 GLY 319 HA3 0.05 -0.00 0.35 -0.51 4.01 3.89 2j6hA1 ILE 320 H 0.11 0.31 -0.34 -0.55 8.25 7.78 2j6hA1 ILE 320 HA 0.03 0.28 0.54 -0.75 4.18 4.28 2j6hA1 ILE 320 HB 0.13 -0.18 -0.11 -0.04 1.89 1.69 2j6hA1 ILE 320 HG12 0.04 0.15 -0.18 -0.04 1.49 1.46 2j6hA1 ILE 320 HG13 0.08 0.17 -0.37 -0.04 1.21 1.04 2j6hA1 ILE 320 HG23 -0.08 0.03 -0.43 -0.04 0.93 0.41 2j6hA1 ILE 320 HD13 0.11 -0.04 -0.15 -0.04 0.88 0.76 2j6hA1 PRO 321 HA 0.00 -0.05 0.44 -0.51 4.44 4.32 2j6hA1 PRO 321 HB2 0.16 -0.04 0.16 -0.04 2.28 2.52 2j6hA1 PRO 321 HB3 0.11 -0.03 0.08 -0.04 2.02 2.14 2j6hA1 PRO 321 HG2 0.08 0.08 0.16 -0.04 2.03 2.31 2j6hA1 PRO 321 HG3 0.05 -0.01 0.09 -0.04 2.03 2.12 2j6hA1 PRO 321 HD2 0.03 0.40 0.25 -0.04 3.68 4.31 2j6hA1 PRO 321 HD3 0.03 0.32 0.32 -0.04 3.65 4.28 2j6hA1 CYS 322 H -0.05 0.18 0.24 -0.55 8.50 8.33 2j6hA1 CYS 322 HA -0.35 0.37 1.04 -0.75 4.58 4.88 2j6hA1 CYS 322 HB2 -0.07 0.10 -0.11 -0.04 2.97 2.85 2j6hA1 CYS 322 HB3 -0.00 -0.04 0.14 -0.04 2.97 3.03 2j6hA1 ASP 323 H -0.15 0.71 0.37 -0.55 8.40 8.79 2j6hA1 ASP 323 HA 0.03 0.10 0.84 -0.75 4.63 4.84 2j6hA1 ASP 323 HB2 0.19 0.01 0.13 -0.04 2.71 2.99 2j6hA1 ASP 323 HB3 0.12 -0.02 -0.01 -0.04 2.70 2.75 2j6hA1 VAL 324 H 0.03 0.28 0.16 -0.55 8.24 8.16 2j6hA1 VAL 324 HA 0.00 0.22 0.96 -0.75 4.13 4.56 2j6hA1 VAL 324 HB -0.08 -0.02 -0.06 -0.04 2.12 1.92 2j6hA1 VAL 324 HG13 -0.13 -0.03 -0.23 -0.04 0.97 0.54 2j6hA1 VAL 324 HG23 -0.06 0.04 -0.36 -0.04 0.95 0.53 2j6hA1 GLU 325 H 0.11 0.61 0.27 -0.55 8.60 9.04 2j6hA1 GLU 325 HA 0.24 0.12 0.87 -0.75 4.29 4.77 2j6hA1 GLU 325 HB2 0.14 0.04 -0.21 -0.04 2.09 2.02 2j6hA1 GLU 325 HB3 0.08 0.01 -0.04 -0.04 1.99 2.00 2j6hA1 GLU 325 HG2 0.15 0.14 -0.14 -0.04 2.34 2.44 2j6hA1 GLU 325 HG3 0.11 -0.08 0.09 -0.04 2.34 2.42 2j6hA1 ILE 326 H -0.06 0.20 0.14 -0.55 8.25 7.98 2j6hA1 ILE 326 HA -0.33 0.13 0.63 -0.75 4.18 3.86 2j6hA1 ILE 326 HB -0.09 0.02 0.21 -0.04 1.89 1.99 2j6hA1 ILE 326 HG12 -0.28 0.06 0.12 -0.04 1.49 1.35 2j6hA1 ILE 326 HG13 -0.22 0.08 0.07 -0.04 1.21 1.11 2j6hA1 ILE 326 HG23 -0.10 -0.08 -0.01 -0.04 0.93 0.70 2j6hA1 ILE 326 HD13 -1.05 -0.00 0.06 -0.04 0.88 -0.16 2j6hA1 ALA 327 H -0.03 0.50 0.32 -0.55 8.40 8.65 2j6hA1 ALA 327 HA 0.03 0.14 0.28 -0.75 4.34 4.03 2j6hA1 ALA 327 HB3 -0.01 0.02 -0.17 -0.04 1.41 1.20 2j6hA1 SER 328 H 0.00 0.04 -0.22 -0.55 8.46 7.73 2j6hA1 SER 328 HA 0.06 0.12 0.22 -0.75 4.49 4.14 2j6hA1 SER 328 HB2 0.13 0.10 0.04 -0.04 3.95 4.17 2j6hA1 SER 328 HB3 0.05 -0.09 0.07 -0.04 3.93 3.93 2j6hA1 GLU 329 H 0.04 0.06 -0.30 -0.55 8.60 7.86 2j6hA1 GLU 329 HA 0.10 0.14 0.51 -0.75 4.29 4.28 2j6hA1 GLU 329 HB2 0.05 0.04 0.07 -0.04 2.09 2.21 2j6hA1 GLU 329 HB3 0.06 0.06 -0.02 -0.04 1.99 2.04 2j6hA1 GLU 329 HG2 0.01 -0.14 -0.01 -0.04 2.34 2.16 2j6hA1 GLU 329 HG3 0.01 0.00 0.02 -0.04 2.34 2.33 2j6hA1 PHE 330 H 0.18 0.24 -0.28 -0.55 8.34 7.93 2j6hA1 PHE 330 HA 0.01 0.07 0.33 -0.75 4.62 4.27 2j6hA1 PHE 330 HB2 0.01 -0.07 -0.04 -0.04 3.15 3.01 2j6hA1 PHE 330 HB3 -0.03 0.03 0.09 -0.04 3.06 3.11 2j6hA1 PHE 330 HD2 -0.01 -0.03 -0.15 -0.04 7.28 7.05 2j6hA1 PHE 330 HE2 0.06 0.01 -0.11 -0.04 7.38 7.30 2j6hA1 PHE 330 HZ 0.22 0.03 -0.11 -0.04 7.32 7.43 2j6hA1 ARG 331 H 0.06 0.40 -0.11 -0.55 8.46 8.26 2j6hA1 ARG 331 HA -0.15 0.03 0.23 -0.75 4.34 3.71 2j6hA1 ARG 331 HB2 -0.17 -0.05 -0.01 -0.04 1.90 1.63 2j6hA1 ARG 331 HB3 -0.53 0.09 0.04 -0.04 1.80 1.36 2j6hA1 ARG 331 HG2 -0.57 -0.12 -0.10 -0.04 1.67 0.84 2j6hA1 ARG 331 HG3 -1.72 0.04 -0.26 -0.04 1.67 -0.31 2j6hA1 ARG 331 HD2 -0.25 0.06 0.09 -0.04 3.22 3.08 2j6hA1 ARG 331 HD3 -0.14 0.06 -0.27 -0.04 3.22 2.82 2j6hA1 TYR 332 H -0.06 0.15 -0.62 -0.55 8.29 7.20 2j6hA1 TYR 332 HA -0.04 0.22 0.76 -0.75 4.56 4.74 2j6hA1 TYR 332 HB2 -0.01 0.01 0.02 -0.04 3.06 3.04 2j6hA1 TYR 332 HB3 -0.01 -0.03 0.15 -0.04 2.98 3.04 2j6hA1 TYR 332 HD2 0.00 0.13 -0.02 -0.04 7.15 7.23 2j6hA1 TYR 332 HE2 0.02 -0.06 -0.04 -0.04 6.85 6.73 2j6hA1 ARG 333 H -0.13 0.42 -0.13 -0.55 8.46 8.07 2j6hA1 ARG 333 HA -0.01 0.11 0.74 -0.75 4.34 4.43 2j6hA1 ARG 333 HB2 -0.03 -0.03 0.06 -0.04 1.90 1.86 2j6hA1 ARG 333 HB3 -0.00 -0.01 0.00 -0.04 1.80 1.75 2j6hA1 ARG 333 HG2 -0.14 0.13 0.07 -0.04 1.67 1.70 2j6hA1 ARG 333 HG3 -0.13 -0.03 -0.41 -0.04 1.67 1.06 2j6hA1 ARG 333 HD2 -0.00 -0.01 -0.08 -0.04 3.22 3.09 2j6hA1 ARG 333 HD3 0.02 0.00 -0.08 -0.04 3.22 3.11 2j6hA1 LYS 334 H -0.04 0.12 0.08 -0.55 8.42 8.02 2j6hA1 LYS 334 HA -0.10 0.15 0.77 -0.75 4.32 4.38 2j6hA1 LYS 334 HB2 -0.03 0.00 0.04 -0.04 1.87 1.84 2j6hA1 LYS 334 HB3 -0.03 -0.05 0.14 -0.04 1.79 1.81 2j6hA1 LYS 334 HG2 -0.04 0.04 -0.20 -0.04 1.46 1.22 2j6hA1 LYS 334 HG3 -0.05 0.05 0.01 -0.04 1.46 1.43 2j6hA1 LYS 334 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.60 2j6hA1 LYS 334 HD3 -0.02 -0.05 -0.02 -0.04 1.68 1.55 2j6hA1 LYS 334 HE2 -0.03 0.07 -0.04 -0.04 2.99 2.95 2j6hA1 LYS 334 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.92 2j6hA1 SER 335 H -0.15 0.23 0.11 -0.55 8.46 8.12 2j6hA1 SER 335 HA -0.05 0.11 0.67 -0.75 4.49 4.46 2j6hA1 SER 335 HB2 0.02 -0.14 -0.03 -0.04 3.95 3.76 2j6hA1 SER 335 HB3 -0.20 0.05 -0.09 -0.04 3.93 3.64 2j6hA1 ALA 336 H -0.01 0.06 0.10 -0.55 8.40 8.00 2j6hA1 ALA 336 HA -0.03 0.13 0.43 -0.75 4.34 4.11 2j6hA1 ALA 336 HB3 -0.02 -0.01 0.04 -0.04 1.41 1.38 2j6hA1 VAL 337 H -0.01 -0.08 -0.12 -0.55 8.24 7.49 2j6hA1 VAL 337 HA -0.07 -0.14 0.32 -0.75 4.13 3.48 2j6hA1 VAL 337 HB -0.13 0.22 0.04 -0.04 2.12 2.22 2j6hA1 VAL 337 HG13 -0.44 0.03 -0.16 -0.04 0.97 0.36 2j6hA1 VAL 337 HG23 0.03 -0.02 -0.21 -0.04 0.95 0.71 2j6hA1 ARG 338 H -0.24 0.05 0.03 -0.55 8.46 7.75 2j6hA1 ARG 338 HA -0.14 0.17 0.56 -0.75 4.34 4.18 2j6hA1 ARG 338 HB2 -0.57 -0.03 -0.09 -0.04 1.90 1.17 2j6hA1 ARG 338 HB3 -0.22 0.09 -0.01 -0.04 1.80 1.62 2j6hA1 ARG 338 HG2 -0.28 0.05 -0.08 -0.04 1.67 1.32 2j6hA1 ARG 338 HG3 -0.18 0.04 -0.22 -0.04 1.67 1.27 2j6hA1 ARG 338 HD2 -0.26 -0.17 -0.07 -0.04 3.22 2.67 2j6hA1 ARG 338 HD3 -1.12 0.04 -0.11 -0.04 3.22 1.99 2j6hA1 ARG 339 H -0.08 0.09 0.10 -0.55 8.46 8.03 2j6hA1 ARG 339 HA -0.06 0.09 0.50 -0.75 4.34 4.11 2j6hA1 ARG 339 HB2 -0.04 -0.01 0.14 -0.04 1.90 1.95 2j6hA1 ARG 339 HB3 -0.02 0.03 0.07 -0.04 1.80 1.84 2j6hA1 ARG 339 HG2 -0.02 0.00 0.05 -0.04 1.67 1.66 2j6hA1 ARG 339 HG3 -0.03 0.00 0.04 -0.04 1.67 1.65 2j6hA1 ARG 339 HD2 -0.00 0.04 -0.05 -0.04 3.22 3.16 2j6hA1 ARG 339 HD3 -0.01 0.01 -0.01 -0.04 3.22 3.17 2j6hA1 ASN 340 H -0.03 0.18 0.18 -0.55 8.53 8.31 2j6hA1 ASN 340 HA 0.01 0.04 0.32 -0.75 4.76 4.37 2j6hA1 ASN 340 HB2 0.02 0.06 -0.15 -0.04 2.88 2.77 2j6hA1 ASN 340 HB3 0.02 0.18 0.18 -0.04 2.79 3.13 2j6hA1 ASN 340 HD21 0.00 -0.04 0.00 -0.04 7.03 6.96 2j6hA1 ASN 340 HD22 0.01 0.03 -0.05 -0.04 7.74 7.69 2j6hA1 SER 341 H -0.00 0.20 -0.04 -0.55 8.46 8.07 2j6hA1 SER 341 HA 0.19 0.25 0.60 -0.75 4.49 4.77 2j6hA1 SER 341 HB2 -0.01 0.05 -0.25 -0.04 3.95 3.71 2j6hA1 SER 341 HB3 -0.02 0.00 0.01 -0.04 3.93 3.88 2j6hA1 LEU 342 H 0.08 0.65 0.40 -0.55 8.37 8.95 2j6hA1 LEU 342 HA 0.08 0.04 0.91 -0.75 4.35 4.63 2j6hA1 LEU 342 HB2 0.00 0.04 0.04 -0.04 1.64 1.68 2j6hA1 LEU 342 HB3 -0.05 0.01 0.18 -0.04 1.64 1.74 2j6hA1 LEU 342 HG -0.06 -0.01 -0.39 -0.04 1.64 1.14 2j6hA1 LEU 342 HD13 -0.01 0.04 -0.17 -0.04 0.93 0.75 2j6hA1 LEU 342 HD23 -0.04 -0.01 -0.11 -0.04 0.89 0.68 2j6hA1 MET 343 H -0.04 0.59 0.38 -0.55 8.47 8.86 2j6hA1 MET 343 HA -0.27 0.18 0.89 -0.75 4.52 4.56 2j6hA1 MET 343 HB2 -1.00 0.01 0.05 -0.04 2.15 1.17 2j6hA1 MET 343 HB3 -0.28 0.08 0.24 -0.04 2.03 2.03 2j6hA1 MET 343 HG2 -0.35 0.03 -0.07 -0.04 2.63 2.21 2j6hA1 MET 343 HG3 -0.23 -0.10 -0.30 -0.04 2.56 1.89 2j6hA1 MET 343 HE3 -0.88 0.00 -0.10 -0.04 2.10 1.08 2j6hA1 ILE 344 H -0.18 0.83 0.49 -0.55 8.25 8.84 2j6hA1 ILE 344 HA -0.09 0.27 1.19 -0.75 4.18 4.80 2j6hA1 ILE 344 HB -0.10 -0.03 0.08 -0.04 1.89 1.79 2j6hA1 ILE 344 HG12 -0.07 0.01 -0.19 -0.04 1.49 1.20 2j6hA1 ILE 344 HG13 -0.12 0.08 -0.32 -0.04 1.21 0.80 2j6hA1 ILE 344 HG23 -0.02 -0.03 -0.21 -0.04 0.93 0.62 2j6hA1 ILE 344 HD13 -0.12 -0.01 -0.13 -0.04 0.88 0.58 2j6hA1 THR 345 H -0.07 0.64 0.40 -0.55 8.28 8.70 2j6hA1 THR 345 HA -0.07 0.27 1.20 -0.75 4.39 5.03 2j6hA1 THR 345 HB -0.05 -0.10 -0.01 -0.04 4.32 4.11 2j6hA1 THR 345 HG23 -0.11 0.01 -0.10 -0.04 1.22 0.98 2j6hA1 LEU 346 H -0.02 0.42 0.34 -0.55 8.37 8.56 2j6hA1 LEU 346 HA -0.01 0.31 1.03 -0.75 4.35 4.93 2j6hA1 LEU 346 HB2 0.01 -0.07 0.10 -0.04 1.64 1.64 2j6hA1 LEU 346 HB3 0.01 -0.06 0.03 -0.04 1.64 1.59 2j6hA1 LEU 346 HG -0.00 0.02 -0.27 -0.04 1.64 1.34 2j6hA1 LEU 346 HD13 0.01 -0.01 -0.10 -0.04 0.93 0.79 2j6hA1 LEU 346 HD23 0.02 0.03 -0.04 -0.04 0.89 0.85 2j6hA1 SER 347 H -0.01 0.68 0.26 -0.55 8.46 8.85 2j6hA1 SER 347 HA 0.00 -0.01 0.71 -0.75 4.49 4.43 2j6hA1 SER 347 HB2 -0.02 0.17 -0.09 -0.04 3.95 3.98 2j6hA1 SER 347 HB3 -0.02 0.13 -0.11 -0.04 3.93 3.89 2j6hA1 GLN 348 H -0.00 0.16 0.20 -0.55 8.47 8.28 2j6hA1 GLN 348 HA -0.01 0.11 0.56 -0.75 4.36 4.27 2j6hA1 GLN 348 HB2 0.01 -0.03 0.14 -0.04 2.15 2.22 2j6hA1 GLN 348 HB3 -0.01 0.04 0.18 -0.04 2.02 2.19 2j6hA1 GLN 348 HG2 -0.02 -0.02 0.06 -0.04 2.40 2.38 2j6hA1 GLN 348 HG3 -0.01 -0.01 0.02 -0.04 2.39 2.35 2j6hA1 GLN 348 HE21 -0.05 0.09 -0.14 -0.04 6.97 6.83 2j6hA1 GLN 348 HE22 -0.02 -0.07 -0.07 -0.04 7.69 7.49 2j6hA1 SER 349 H -0.01 0.01 0.06 -0.55 8.46 7.97 2j6hA1 SER 349 HA -0.06 0.26 0.31 -0.75 4.49 4.24 2j6hA1 SER 349 HB2 0.06 0.15 -0.01 -0.04 3.95 4.10 2j6hA1 SER 349 HB3 0.02 0.15 0.03 -0.04 3.93 4.09 2j6hA1 GLY 350 H -0.02 -0.03 -0.26 -0.55 8.43 7.58 2j6hA1 GLY 350 HA2 -0.02 0.05 0.21 -0.51 4.01 3.75 2j6hA1 GLY 350 HA3 -0.03 0.16 0.51 -0.51 4.01 4.14 2j6hA1 GLU 351 H 0.01 -0.09 -0.24 -0.55 8.60 7.73 2j6hA1 GLU 351 HA 0.01 0.25 0.88 -0.75 4.29 4.68 2j6hA1 GLU 351 HB2 0.14 -0.03 -0.14 -0.04 2.09 2.01 2j6hA1 GLU 351 HB3 0.07 0.13 0.05 -0.04 1.99 2.20 2j6hA1 GLU 351 HG2 0.06 0.04 -0.50 -0.04 2.34 1.90 2j6hA1 GLU 351 HG3 0.24 0.07 -0.11 -0.04 2.34 2.49 2j6hA1 THR 352 H -0.01 -0.15 -0.00 -0.55 8.28 7.57 2j6hA1 THR 352 HA -0.05 0.42 0.47 -0.75 4.39 4.47 2j6hA1 THR 352 HB -0.03 -0.08 0.15 -0.04 4.32 4.32 2j6hA1 THR 352 HG23 -0.05 -0.03 0.07 -0.04 1.22 1.16 2j6hA1 ALA 353 H -0.04 0.64 0.39 -0.55 8.40 8.84 2j6hA1 ALA 353 HA -0.01 0.14 0.24 -0.75 4.34 3.96 2j6hA1 ALA 353 HB3 0.01 0.11 -0.38 -0.04 1.41 1.10 2j6hA1 ASP 354 H -0.01 0.16 -0.12 -0.55 8.40 7.88 2j6hA1 ASP 354 HA 0.02 0.16 0.23 -0.75 4.63 4.29 2j6hA1 ASP 354 HB2 -0.01 -0.08 0.04 -0.04 2.71 2.61 2j6hA1 ASP 354 HB3 0.01 -0.08 -0.09 -0.04 2.70 2.50 2j6hA1 THR 355 H -0.02 0.07 -0.37 -0.55 8.28 7.41 2j6hA1 THR 355 HA -0.03 0.04 0.24 -0.75 4.39 3.89 2j6hA1 THR 355 HB -0.03 0.08 0.02 -0.04 4.32 4.36 2j6hA1 THR 355 HG23 -0.04 0.04 -0.12 -0.04 1.22 1.06 2j6hA1 LEU 356 H -0.02 0.46 -0.24 -0.55 8.37 8.03 2j6hA1 LEU 356 HA -0.03 0.03 0.33 -0.75 4.35 3.93 2j6hA1 LEU 356 HB2 -0.01 0.10 0.03 -0.04 1.64 1.71 2j6hA1 LEU 356 HB3 -0.01 0.06 -0.19 -0.04 1.64 1.46 2j6hA1 LEU 356 HG -0.02 0.08 -0.13 -0.04 1.64 1.53 2j6hA1 LEU 356 HD13 -0.03 -0.05 -0.22 -0.04 0.93 0.59 2j6hA1 LEU 356 HD23 -0.01 0.01 -0.32 -0.04 0.89 0.53 2j6hA1 ALA 357 H -0.01 0.50 -0.29 -0.55 8.40 8.06 2j6hA1 ALA 357 HA -0.01 0.05 0.31 -0.75 4.34 3.93 2j6hA1 ALA 357 HB3 -0.02 0.02 0.02 -0.04 1.41 1.39 2j6hA1 GLY 358 H -0.02 0.34 -0.32 -0.55 8.43 7.88 2j6hA1 GLY 358 HA2 0.10 0.07 0.42 -0.51 4.01 4.10 2j6hA1 GLY 358 HA3 -0.00 -0.02 0.27 -0.51 4.01 3.74 2j6hA1 LEU 359 H -0.04 0.34 -0.29 -0.55 8.37 7.84 2j6hA1 LEU 359 HA -0.10 0.00 0.21 -0.75 4.35 3.70 2j6hA1 LEU 359 HB2 -0.08 -0.08 0.02 -0.04 1.64 1.47 2j6hA1 LEU 359 HB3 -0.05 0.10 0.16 -0.04 1.64 1.81 2j6hA1 LEU 359 HG -0.05 0.08 -0.27 -0.04 1.64 1.36 2j6hA1 LEU 359 HD13 -0.09 -0.02 -0.06 -0.04 0.93 0.72 2j6hA1 LEU 359 HD23 -0.05 -0.00 -0.22 -0.04 0.89 0.57 2j6hA1 ARG 360 H -0.02 0.62 -0.09 -0.55 8.46 8.42 2j6hA1 ARG 360 HA -0.00 0.03 0.23 -0.75 4.34 3.84 2j6hA1 ARG 360 HB2 -0.01 0.03 0.10 -0.04 1.90 1.98 2j6hA1 ARG 360 HB3 -0.00 -0.02 -0.01 -0.04 1.80 1.73 2j6hA1 ARG 360 HG2 -0.01 -0.01 -0.00 -0.04 1.67 1.61 2j6hA1 ARG 360 HG3 -0.02 0.07 0.05 -0.04 1.67 1.73 2j6hA1 ARG 360 HD2 -0.01 -0.05 -0.22 -0.04 3.22 2.90 2j6hA1 ARG 360 HD3 -0.01 -0.03 -0.04 -0.04 3.22 3.10 2j6hA1 LEU 361 H 0.01 0.56 -0.20 -0.55 8.37 8.20 2j6hA1 LEU 361 HA 0.03 0.02 0.54 -0.75 4.35 4.18 2j6hA1 LEU 361 HB2 -0.02 -0.02 0.12 -0.04 1.64 1.68 2j6hA1 LEU 361 HB3 0.09 0.04 0.13 -0.04 1.64 1.85 2j6hA1 LEU 361 HG 0.10 -0.04 -0.33 -0.04 1.64 1.33 2j6hA1 LEU 361 HD13 -0.02 -0.01 0.04 -0.04 0.93 0.90 2j6hA1 LEU 361 HD23 -0.15 0.04 -0.03 -0.04 0.89 0.71 2j6hA1 SER 362 H 0.06 0.60 -0.21 -0.55 8.46 8.37 2j6hA1 SER 362 HA 0.28 -0.03 0.25 -0.75 4.49 4.24 2j6hA1 SER 362 HB2 -0.42 -0.13 0.05 -0.04 3.95 3.41 2j6hA1 SER 362 HB3 -0.14 0.05 0.08 -0.04 3.93 3.88 2j6hA1 LYS 363 H 0.05 0.44 -0.57 -0.55 8.42 7.78 2j6hA1 LYS 363 HA 0.07 -0.02 0.41 -0.75 4.32 4.02 2j6hA1 LYS 363 HB2 0.03 0.21 0.12 -0.04 1.87 2.18 2j6hA1 LYS 363 HB3 0.03 -0.06 0.08 -0.04 1.79 1.80 2j6hA1 LYS 363 HG2 0.01 -0.06 0.01 -0.04 1.46 1.38 2j6hA1 LYS 363 HG3 0.00 0.08 -0.04 -0.04 1.46 1.47 2j6hA1 LYS 363 HD2 0.00 -0.01 0.02 -0.04 1.69 1.65 2j6hA1 LYS 363 HD3 0.00 -0.04 0.01 -0.04 1.68 1.62 2j6hA1 LYS 363 HE2 -0.02 -0.07 -0.07 -0.04 2.99 2.79 2j6hA1 LYS 363 HE3 -0.02 -0.04 0.02 -0.04 2.99 2.91 2j6hA1 GLU 364 H 0.08 0.63 -0.22 -0.55 8.60 8.54 2j6hA1 GLU 364 HA 0.04 0.10 0.64 -0.75 4.29 4.31 2j6hA1 GLU 364 HB2 0.04 0.15 0.07 -0.04 2.09 2.31 2j6hA1 GLU 364 HB3 0.03 -0.05 0.14 -0.04 1.99 2.06 2j6hA1 GLU 364 HG2 0.02 -0.04 0.01 -0.04 2.34 2.29 2j6hA1 GLU 364 HG3 0.03 0.02 0.01 -0.04 2.34 2.36 2j6hA1 LEU 365 H 0.14 0.35 -0.35 -0.55 8.37 7.96 2j6hA1 LEU 365 HA 0.02 0.21 0.65 -0.75 4.35 4.47 2j6hA1 LEU 365 HB2 0.33 0.03 0.00 -0.04 1.64 1.96 2j6hA1 LEU 365 HB3 0.02 -0.01 0.01 -0.04 1.64 1.62 2j6hA1 LEU 365 HG 0.14 0.13 -0.18 -0.04 1.64 1.68 2j6hA1 LEU 365 HD13 0.22 -0.02 -0.12 -0.04 0.93 0.96 2j6hA1 LEU 365 HD23 0.01 0.04 -0.15 -0.04 0.89 0.74 2j6hA1 GLY 366 H 0.08 0.10 -0.12 -0.55 8.43 7.95 2j6hA1 GLY 366 HA2 0.03 0.06 0.30 -0.51 4.01 3.89 2j6hA1 GLY 366 HA3 -0.03 0.05 0.37 -0.51 4.01 3.90 2j6hA1 TYR 367 H 0.28 0.05 -0.01 -0.55 8.29 8.06 2j6hA1 TYR 367 HA 0.01 0.11 0.63 -0.75 4.56 4.56 2j6hA1 TYR 367 HB2 0.00 -0.02 0.02 -0.04 3.06 3.02 2j6hA1 TYR 367 HB3 0.00 -0.03 0.21 -0.04 2.98 3.12 2j6hA1 TYR 367 HD2 0.03 0.10 -0.19 -0.04 7.15 7.05 2j6hA1 TYR 367 HE2 0.10 -0.03 -0.11 -0.04 6.85 6.77 2j6hA1 LEU 368 H 0.14 0.59 0.27 -0.55 8.37 8.82 2j6hA1 LEU 368 HA 0.04 0.15 0.65 -0.75 4.35 4.44 2j6hA1 LEU 368 HB2 0.05 -0.04 -0.08 -0.04 1.64 1.53 2j6hA1 LEU 368 HB3 0.03 -0.01 -0.05 -0.04 1.64 1.57 2j6hA1 LEU 368 HG 0.03 -0.08 -0.10 -0.04 1.64 1.46 2j6hA1 LEU 368 HD13 0.03 0.03 -0.36 -0.04 0.93 0.59 2j6hA1 LEU 368 HD23 0.02 0.01 -0.00 -0.04 0.89 0.88 2j6hA1 GLY 369 H 0.10 0.20 0.13 -0.55 8.43 8.31 2j6hA1 GLY 369 HA2 0.03 0.10 0.26 -0.51 4.01 3.89 2j6hA1 GLY 369 HA3 0.02 0.09 0.42 -0.51 4.01 4.02 2j6hA1 SER 370 H -0.01 0.17 0.22 -0.55 8.46 8.30 2j6hA1 SER 370 HA -0.08 0.35 1.08 -0.75 4.49 5.09 2j6hA1 SER 370 HB2 -0.08 0.03 0.01 -0.04 3.95 3.88 2j6hA1 SER 370 HB3 -0.09 0.06 0.06 -0.04 3.93 3.92 2j6hA1 LEU 371 H -0.07 0.81 0.40 -0.55 8.37 8.97 2j6hA1 LEU 371 HA -0.03 0.26 0.93 -0.75 4.35 4.76 2j6hA1 LEU 371 HB2 -0.02 0.02 -0.06 -0.04 1.64 1.54 2j6hA1 LEU 371 HB3 -0.04 0.01 0.08 -0.04 1.64 1.65 2j6hA1 LEU 371 HG -0.02 -0.03 -0.43 -0.04 1.64 1.13 2j6hA1 LEU 371 HD13 -0.01 0.00 -0.26 -0.04 0.93 0.62 2j6hA1 LEU 371 HD23 0.00 -0.01 -0.15 -0.04 0.89 0.70 2j6hA1 ALA 372 H -0.03 0.72 0.35 -0.55 8.40 8.89 2j6hA1 ALA 372 HA -0.04 0.16 1.03 -0.75 4.34 4.74 2j6hA1 ALA 372 HB3 -0.04 -0.00 -0.04 -0.04 1.41 1.30 2j6hA1 ILE 373 H -0.02 0.63 0.24 -0.55 8.25 8.54 2j6hA1 ILE 373 HA -0.01 0.38 1.01 -0.75 4.18 4.80 2j6hA1 ILE 373 HB -0.00 -0.08 0.25 -0.04 1.89 2.01 2j6hA1 ILE 373 HG12 0.01 0.07 -0.05 -0.04 1.49 1.48 2j6hA1 ILE 373 HG13 0.00 -0.03 -0.19 -0.04 1.21 0.95 2j6hA1 ILE 373 HG23 -0.00 0.01 -0.05 -0.04 0.93 0.84 2j6hA1 ILE 373 HD13 0.05 -0.00 -0.13 -0.04 0.88 0.76 2j6hA1 CYS 374 H -0.02 0.57 0.14 -0.55 8.50 8.64 2j6hA1 CYS 374 HA -0.02 0.42 0.99 -0.75 4.58 5.21 2j6hA1 CYS 374 HB2 -0.03 -0.02 -0.36 -0.04 2.97 2.53 2j6hA1 CYS 374 HB3 -0.03 0.03 -0.20 -0.04 2.97 2.74 2j6hA1 ASN 375 H -0.03 0.39 0.30 -0.55 8.53 8.64 2j6hA1 ASN 375 HA -0.03 0.06 1.03 -0.75 4.76 5.07 2j6hA1 ASN 375 HB2 -0.02 -0.05 0.02 -0.04 2.88 2.78 2j6hA1 ASN 375 HB3 -0.03 0.11 0.19 -0.04 2.79 3.01 2j6hA1 ASN 375 HD21 -0.04 0.38 -0.10 -0.04 7.03 7.23 2j6hA1 ASN 375 HD22 -0.04 -0.04 -0.04 -0.04 7.74 7.58 2j6hA1 VAL 376 H -0.04 0.06 -0.06 -0.55 8.24 7.65 2j6hA1 VAL 376 HA -0.05 0.27 1.06 -0.75 4.13 4.65 2j6hA1 VAL 376 HB -0.07 0.03 0.11 -0.04 2.12 2.15 2j6hA1 VAL 376 HG13 -0.09 0.04 -0.10 -0.04 0.97 0.78 2j6hA1 VAL 376 HG23 -0.12 0.02 -0.08 -0.04 0.95 0.72 2j6hA1 PRO 377 HA -0.03 0.02 0.36 -0.51 4.44 4.28 2j6hA1 PRO 377 HB2 -0.01 0.05 0.00 -0.04 2.28 2.29 2j6hA1 PRO 377 HB3 -0.01 0.06 0.06 -0.04 2.02 2.08 2j6hA1 PRO 377 HG2 -0.01 0.02 0.06 -0.04 2.03 2.06 2j6hA1 PRO 377 HG3 -0.01 0.08 0.05 -0.04 2.03 2.10 2j6hA1 PRO 377 HD2 -0.04 0.11 0.21 -0.04 3.68 3.93 2j6hA1 PRO 377 HD3 -0.03 0.14 -0.00 -0.04 3.65 3.72 2j6hA1 GLY 378 H -0.03 0.16 0.12 -0.55 8.43 8.14 2j6hA1 GLY 378 HA2 -0.04 0.07 0.31 -0.51 4.01 3.84 2j6hA1 GLY 378 HA3 -0.00 0.03 0.35 -0.51 4.01 3.87 2j6hA1 SER 379 H -0.04 0.23 -0.44 -0.55 8.46 7.66 2j6hA1 SER 379 HA -0.02 0.12 0.46 -0.75 4.49 4.30 2j6hA1 SER 379 HB2 -0.02 -0.03 0.12 -0.04 3.95 3.98 2j6hA1 SER 379 HB3 -0.04 0.15 0.08 -0.04 3.93 4.08 2j6hA1 SER 380 H -0.01 0.19 0.17 -0.55 8.46 8.27 2j6hA1 SER 380 HA -0.06 0.09 0.30 -0.75 4.49 4.07 2j6hA1 SER 380 HB2 -0.01 0.08 0.29 -0.04 3.95 4.27 2j6hA1 SER 380 HB3 -0.02 0.01 0.01 -0.04 3.93 3.89 2j6hA1 LEU 381 H -0.03 0.50 0.01 -0.55 8.37 8.30 2j6hA1 LEU 381 HA -0.04 0.08 0.17 -0.75 4.35 3.81 2j6hA1 LEU 381 HB2 -0.03 -0.14 0.04 -0.04 1.64 1.47 2j6hA1 LEU 381 HB3 -0.04 0.04 -0.25 -0.04 1.64 1.35 2j6hA1 LEU 381 HG -0.03 0.01 -0.18 -0.04 1.64 1.40 2j6hA1 LEU 381 HD13 -0.03 -0.06 -0.20 -0.04 0.93 0.60 2j6hA1 LEU 381 HD23 -0.05 0.04 -0.12 -0.04 0.89 0.72 2j6hA1 VAL 382 H -0.05 0.06 -0.48 -0.55 8.24 7.22 2j6hA1 VAL 382 HA -0.05 0.08 0.50 -0.75 4.13 3.91 2j6hA1 VAL 382 HB -0.05 0.01 -0.01 -0.04 2.12 2.02 2j6hA1 VAL 382 HG13 -0.04 0.01 -0.19 -0.04 0.97 0.71 2j6hA1 VAL 382 HG23 -0.04 -0.03 -0.15 -0.04 0.95 0.69 2j6hA1 ARG 383 H -0.10 0.52 -0.10 -0.55 8.46 8.23 2j6hA1 ARG 383 HA -0.13 0.03 0.34 -0.75 4.34 3.82 2j6hA1 ARG 383 HB2 -0.22 0.04 0.00 -0.04 1.90 1.69 2j6hA1 ARG 383 HB3 -0.32 -0.02 0.02 -0.04 1.80 1.44 2j6hA1 ARG 383 HG2 -0.24 -0.12 -0.06 -0.04 1.67 1.20 2j6hA1 ARG 383 HG3 -0.19 0.22 -0.24 -0.04 1.67 1.42 2j6hA1 ARG 383 HD2 -1.22 -0.03 -0.04 -0.04 3.22 1.89 2j6hA1 ARG 383 HD3 -0.52 0.02 -0.04 -0.04 3.22 2.64 2j6hA1 GLU 384 H -0.08 0.32 -0.37 -0.55 8.60 7.92 2j6hA1 GLU 384 HA -0.06 0.13 0.53 -0.75 4.29 4.14 2j6hA1 GLU 384 HB2 -0.05 -0.00 -0.05 -0.04 2.09 1.95 2j6hA1 GLU 384 HB3 -0.04 -0.06 0.01 -0.04 1.99 1.87 2j6hA1 GLU 384 HG2 -0.05 0.02 -0.07 -0.04 2.34 2.19 2j6hA1 GLU 384 HG3 -0.08 0.01 -0.08 -0.04 2.34 2.15 2j6hA1 SER 385 H -0.05 0.26 -0.35 -0.55 8.46 7.77 2j6hA1 SER 385 HA -0.04 0.08 0.80 -0.75 4.49 4.57 2j6hA1 SER 385 HB2 -0.04 0.05 -0.05 -0.04 3.95 3.87 2j6hA1 SER 385 HB3 -0.04 -0.07 -0.11 -0.04 3.93 3.67 2j6hA1 ASP 386 H -0.03 0.13 0.23 -0.55 8.40 8.18 2j6hA1 ASP 386 HA -0.02 0.11 0.44 -0.75 4.63 4.41 2j6hA1 ASP 386 HB2 -0.02 0.18 0.37 -0.04 2.71 3.20 2j6hA1 ASP 386 HB3 -0.01 0.01 0.12 -0.04 2.70 2.78 2j6hA1 LEU 387 H -0.03 0.41 0.30 -0.55 8.37 8.51 2j6hA1 LEU 387 HA -0.02 0.19 0.75 -0.75 4.35 4.52 2j6hA1 LEU 387 HB2 -0.02 -0.02 0.13 -0.04 1.64 1.69 2j6hA1 LEU 387 HB3 -0.01 -0.02 0.03 -0.04 1.64 1.60 2j6hA1 LEU 387 HG -0.01 -0.07 -0.23 -0.04 1.64 1.29 2j6hA1 LEU 387 HD13 -0.00 -0.02 -0.06 -0.04 0.93 0.81 2j6hA1 LEU 387 HD23 -0.01 0.04 0.04 -0.04 0.89 0.92 2j6hA1 ALA 388 H -0.02 0.31 0.20 -0.55 8.40 8.35 2j6hA1 ALA 388 HA -0.02 0.09 1.00 -0.75 4.34 4.65 2j6hA1 ALA 388 HB3 -0.03 0.01 -0.06 -0.04 1.41 1.29 2j6hA1 LEU 389 H -0.02 0.80 0.31 -0.55 8.37 8.92 2j6hA1 LEU 389 HA -0.01 0.19 0.92 -0.75 4.35 4.69 2j6hA1 LEU 389 HB2 -0.00 -0.06 0.12 -0.04 1.64 1.66 2j6hA1 LEU 389 HB3 -0.01 0.06 -0.01 -0.04 1.64 1.64 2j6hA1 LEU 389 HG -0.00 -0.05 -0.22 -0.04 1.64 1.32 2j6hA1 LEU 389 HD13 0.01 -0.00 -0.08 -0.04 0.93 0.81 2j6hA1 LEU 389 HD23 -0.01 0.04 0.01 -0.04 0.89 0.89 2j6hA1 MET 390 H -0.02 0.21 0.04 -0.55 8.47 8.15 2j6hA1 MET 390 HA -0.02 0.22 0.69 -0.75 4.52 4.65 2j6hA1 MET 390 HB2 -0.02 0.08 0.10 -0.04 2.15 2.27 2j6hA1 MET 390 HB3 -0.02 -0.10 0.01 -0.04 2.03 1.88 2j6hA1 MET 390 HG2 -0.02 0.08 -0.04 -0.04 2.63 2.61 2j6hA1 MET 390 HG3 -0.02 -0.00 -0.05 -0.04 2.56 2.44 2j6hA1 MET 390 HE3 -0.03 0.02 -0.54 -0.04 2.10 1.50 2j6hA1 THR 391 H -0.02 0.60 0.29 -0.55 8.28 8.59 2j6hA1 THR 391 HA -0.02 0.21 0.52 -0.75 4.39 4.34 2j6hA1 THR 391 HB -0.02 -0.03 -0.06 -0.04 4.32 4.17 2j6hA1 THR 391 HG23 -0.02 0.02 -0.21 -0.04 1.22 0.97 2j6hA1 ASN 392 H -0.02 0.03 -0.20 -0.55 8.53 7.79 2j6hA1 ASN 392 HA -0.03 -0.07 0.27 -0.75 4.76 4.18 2j6hA1 ASN 392 HB2 -0.02 0.25 -0.27 -0.04 2.88 2.80 2j6hA1 ASN 392 HB3 -0.02 -0.03 0.11 -0.04 2.79 2.81 2j6hA1 ASN 392 HD21 -0.02 -0.07 -0.03 -0.04 7.03 6.88 2j6hA1 ASN 392 HD22 -0.02 0.18 -0.10 -0.04 7.74 7.76 2j6hA1 ALA 393 H -0.03 -0.01 -0.25 -0.55 8.40 7.57 2j6hA1 ALA 393 HA -0.02 0.21 0.57 -0.75 4.34 4.34 2j6hA1 ALA 393 HB3 -0.02 -0.02 -0.07 -0.04 1.41 1.25 2j6hA1 GLY 394 H -0.03 -0.02 -0.29 -0.55 8.43 7.54 2j6hA1 GLY 394 HA2 -0.04 -0.01 0.29 -0.51 4.01 3.74 2j6hA1 GLY 394 HA3 -0.04 0.19 0.64 -0.51 4.01 4.29 2j6hA1 THR 395 H -0.07 0.09 0.09 -0.55 8.28 7.83 2j6hA1 THR 395 HA -0.08 0.03 0.45 -0.75 4.39 4.03 2j6hA1 THR 395 HB -0.11 -0.10 -0.01 -0.04 4.32 4.06 2j6hA1 THR 395 HG23 -0.14 0.02 -0.25 -0.04 1.22 0.82 2j6hA1 GLU 396 H -0.07 0.18 0.12 -0.55 8.60 8.28 2j6hA1 GLU 396 HA -0.03 0.12 0.88 -0.75 4.29 4.50 2j6hA1 GLU 396 HB2 -0.03 0.04 -0.01 -0.04 2.09 2.05 2j6hA1 GLU 396 HB3 -0.04 0.00 0.11 -0.04 1.99 2.02 2j6hA1 GLU 396 HG2 -0.02 0.22 -0.24 -0.04 2.34 2.26 2j6hA1 GLU 396 HG3 -0.02 -0.01 0.03 -0.04 2.34 2.30 2j6hA1 ILE 397 H -0.06 0.07 0.06 -0.55 8.25 7.76 2j6hA1 ILE 397 HA -0.13 0.23 0.67 -0.75 4.18 4.20 2j6hA1 ILE 397 HB -0.58 -0.13 -0.00 -0.04 1.89 1.14 2j6hA1 ILE 397 HG12 -0.19 -0.07 -0.24 -0.04 1.49 0.95 2j6hA1 ILE 397 HG13 -0.59 0.06 -0.12 -0.04 1.21 0.52 2j6hA1 ILE 397 HG23 -0.57 0.02 -0.14 -0.04 0.93 0.19 2j6hA1 ILE 397 HD13 -0.18 0.04 -0.25 -0.04 0.88 0.46 2j6hA1 GLY 398 H 0.00 -0.07 -0.03 -0.55 8.43 7.79 2j6hA1 GLY 398 HA2 0.02 0.16 0.56 -0.51 4.01 4.25 2j6hA1 GLY 398 HA3 0.03 -0.09 0.30 -0.51 4.01 3.74 2j6hA1 VAL 399 H 0.03 0.53 0.30 -0.55 8.24 8.56 2j6hA1 VAL 399 HA 0.03 0.03 0.37 -0.75 4.13 3.80 2j6hA1 VAL 399 HB 0.08 0.07 0.08 -0.04 2.12 2.30 2j6hA1 VAL 399 HG13 0.04 0.00 -0.19 -0.04 0.97 0.78 2j6hA1 VAL 399 HG23 0.18 0.02 -0.02 -0.04 0.95 1.09 2j6hA1 ALA 400 H 0.01 0.08 -0.25 -0.55 8.40 7.69 2j6hA1 ALA 400 HA -0.03 0.04 0.55 -0.75 4.34 4.15 2j6hA1 ALA 400 HB3 -0.03 0.02 0.04 -0.04 1.41 1.40 2j6hA1 SER 401 H -0.03 0.17 0.22 -0.55 8.46 8.27 2j6hA1 SER 401 HA -0.01 0.02 0.48 -0.75 4.49 4.23 2j6hA1 SER 401 HB2 -0.01 0.08 0.17 -0.04 3.95 4.16 2j6hA1 SER 401 HB3 -0.02 -0.01 0.12 -0.04 3.93 3.98 2j6hA1 THR 402 H -0.00 0.03 0.14 -0.55 8.28 7.89 2j6hA1 THR 402 HA 0.01 0.27 0.77 -0.75 4.39 4.69 2j6hA1 THR 402 HB -0.04 0.05 0.01 -0.04 4.32 4.29 2j6hA1 THR 402 HG23 -0.06 0.11 -0.24 -0.04 1.22 1.00 2j6hA1 LYS 403 H -0.02 0.27 0.13 -0.55 8.42 8.24 2j6hA1 LYS 403 HA 0.00 0.09 0.44 -0.75 4.32 4.10 2j6hA1 LYS 403 HB2 -0.02 0.03 0.07 -0.04 1.87 1.91 2j6hA1 LYS 403 HB3 -0.03 0.25 0.16 -0.04 1.79 2.12 2j6hA1 LYS 403 HG2 -0.02 -0.13 0.11 -0.04 1.46 1.38 2j6hA1 LYS 403 HG3 -0.02 -0.05 -0.11 -0.04 1.46 1.24 2j6hA1 LYS 403 HD2 -0.03 0.11 -0.00 -0.04 1.69 1.73 2j6hA1 LYS 403 HD3 -0.03 -0.01 0.04 -0.04 1.68 1.64 2j6hA1 LYS 403 HE2 -0.03 -0.15 -0.14 -0.04 2.99 2.64 2j6hA1 LYS 403 HE3 -0.03 0.01 -0.34 -0.04 2.99 2.59 2j6hA1 ALA 404 H 0.02 0.01 -0.27 -0.55 8.40 7.61 2j6hA1 ALA 404 HA 0.00 0.14 0.38 -0.75 4.34 4.12 2j6hA1 ALA 404 HB3 0.02 0.01 0.01 -0.04 1.41 1.41 2j6hA1 PHE 405 H 0.17 0.22 -0.38 -0.55 8.34 7.80 2j6hA1 PHE 405 HA -0.02 0.00 0.36 -0.75 4.62 4.21 2j6hA1 PHE 405 HB2 -0.04 -0.05 -0.05 -0.04 3.15 2.97 2j6hA1 PHE 405 HB3 -0.03 0.21 0.04 -0.04 3.06 3.24 2j6hA1 PHE 405 HD2 -0.03 -0.00 -0.09 -0.04 7.28 7.11 2j6hA1 PHE 405 HE2 -0.06 -0.00 -0.14 -0.04 7.38 7.14 2j6hA1 PHE 405 HZ -0.09 0.03 -0.21 -0.04 7.32 7.01 2j6hA1 THR 406 H 0.08 0.41 -0.14 -0.55 8.28 8.08 2j6hA1 THR 406 HA -0.20 0.05 0.31 -0.75 4.39 3.80 2j6hA1 THR 406 HB -0.01 -0.00 -0.00 -0.04 4.32 4.26 2j6hA1 THR 406 HG23 0.10 0.02 -0.03 -0.04 1.22 1.27 2j6hA1 THR 407 H -0.02 0.60 -0.16 -0.55 8.28 8.15 2j6hA1 THR 407 HA -0.04 0.11 0.62 -0.75 4.39 4.33 2j6hA1 THR 407 HB -0.03 0.11 0.04 -0.04 4.32 4.40 2j6hA1 THR 407 HG23 -0.02 0.03 -0.13 -0.04 1.22 1.05 2j6hA1 GLN 408 H -0.06 0.41 -0.33 -0.55 8.47 7.94 2j6hA1 GLN 408 HA -0.03 0.04 0.35 -0.75 4.36 3.98 2j6hA1 GLN 408 HB2 -0.07 0.32 0.26 -0.04 2.15 2.62 2j6hA1 GLN 408 HB3 -0.10 -0.03 -0.02 -0.04 2.02 1.83 2j6hA1 GLN 408 HG2 -0.01 -0.01 -0.03 -0.04 2.40 2.32 2j6hA1 GLN 408 HG3 -0.01 -0.01 -0.06 -0.04 2.39 2.27 2j6hA1 GLN 408 HE21 0.03 -0.19 -0.13 -0.04 6.97 6.64 2j6hA1 GLN 408 HE22 0.01 0.06 -0.23 -0.04 7.69 7.48 2j6hA1 LEU 409 H -0.21 0.53 -0.10 -0.55 8.37 8.05 2j6hA1 LEU 409 HA 0.06 0.01 0.33 -0.75 4.35 3.99 2j6hA1 LEU 409 HB2 -0.15 0.09 0.09 -0.04 1.64 1.63 2j6hA1 LEU 409 HB3 0.23 -0.03 -0.01 -0.04 1.64 1.78 2j6hA1 LEU 409 HG -0.71 0.03 0.04 -0.04 1.64 0.95 2j6hA1 LEU 409 HD13 -0.53 -0.02 -0.14 -0.04 0.93 0.20 2j6hA1 LEU 409 HD23 -0.27 -0.01 0.02 -0.04 0.89 0.59 2j6hA1 THR 410 H -0.05 0.34 -0.51 -0.55 8.28 7.51 2j6hA1 THR 410 HA -0.08 -0.02 0.43 -0.75 4.39 3.96 2j6hA1 THR 410 HB -0.04 0.16 0.22 -0.04 4.32 4.62 2j6hA1 THR 410 HG23 -0.06 0.00 -0.09 -0.04 1.22 1.02 2j6hA1 VAL 411 H -0.03 0.64 -0.07 -0.55 8.24 8.22 2j6hA1 VAL 411 HA -0.03 0.04 0.33 -0.75 4.13 3.71 2j6hA1 VAL 411 HB -0.01 0.06 0.12 -0.04 2.12 2.24 2j6hA1 VAL 411 HG13 0.00 -0.02 -0.17 -0.04 0.97 0.75 2j6hA1 VAL 411 HG23 -0.02 0.04 -0.03 -0.04 0.95 0.90 2j6hA1 LEU 412 H 0.03 0.51 -0.27 -0.55 8.37 8.09 2j6hA1 LEU 412 HA 0.09 0.04 0.44 -0.75 4.35 4.17 2j6hA1 LEU 412 HB2 0.20 0.06 0.14 -0.04 1.64 1.99 2j6hA1 LEU 412 HB3 0.16 -0.06 0.02 -0.04 1.64 1.72 2j6hA1 LEU 412 HG 0.07 0.08 -0.05 -0.04 1.64 1.70 2j6hA1 LEU 412 HD13 0.04 -0.03 -0.25 -0.04 0.93 0.65 2j6hA1 LEU 412 HD23 0.22 -0.01 -0.07 -0.04 0.89 0.98 2j6hA1 LEU 413 H -0.10 0.55 -0.21 -0.55 8.37 8.06 2j6hA1 LEU 413 HA -0.43 -0.04 0.28 -0.75 4.35 3.40 2j6hA1 LEU 413 HB2 -0.56 0.20 0.19 -0.04 1.64 1.43 2j6hA1 LEU 413 HB3 -0.36 0.09 0.06 -0.04 1.64 1.40 2j6hA1 LEU 413 HG -0.60 -0.04 -0.02 -0.04 1.64 0.94 2j6hA1 LEU 413 HD13 -1.57 -0.03 0.03 -0.04 0.93 -0.68 2j6hA1 LEU 413 HD23 -1.02 0.00 -0.05 -0.04 0.89 -0.22 2j6hA1 MET 414 H -0.12 0.48 -0.18 -0.55 8.47 8.11 2j6hA1 MET 414 HA -0.11 -0.01 0.48 -0.75 4.52 4.12 2j6hA1 MET 414 HB2 -0.05 0.13 0.07 -0.04 2.15 2.25 2j6hA1 MET 414 HB3 -0.05 -0.03 -0.02 -0.04 2.03 1.89 2j6hA1 MET 414 HG2 -0.09 -0.08 -0.03 -0.04 2.63 2.39 2j6hA1 MET 414 HG3 -0.10 0.11 -0.04 -0.04 2.56 2.49 2j6hA1 MET 414 HE3 -0.04 0.06 -0.17 -0.04 2.10 1.91 2j6hA1 LEU 415 H -0.03 0.47 -0.34 -0.55 8.37 7.93 2j6hA1 LEU 415 HA 0.04 0.02 0.56 -0.75 4.35 4.22 2j6hA1 LEU 415 HB2 0.08 0.08 0.10 -0.04 1.64 1.86 2j6hA1 LEU 415 HB3 0.19 0.14 0.13 -0.04 1.64 2.06 2j6hA1 LEU 415 HG 0.24 -0.00 -0.12 -0.04 1.64 1.72 2j6hA1 LEU 415 HD13 0.05 -0.01 -0.03 -0.04 0.93 0.90 2j6hA1 LEU 415 HD23 0.18 -0.01 -0.09 -0.04 0.89 0.92 2j6hA1 VAL 416 H -0.16 0.47 -0.08 -0.55 8.24 7.93 2j6hA1 VAL 416 HA 0.01 0.04 0.31 -0.75 4.13 3.73 2j6hA1 VAL 416 HB -0.30 0.16 0.15 -0.04 2.12 2.10 2j6hA1 VAL 416 HG13 -0.14 -0.02 -0.21 -0.04 0.97 0.56 2j6hA1 VAL 416 HG23 -0.91 0.05 -0.06 -0.04 0.95 -0.01 2j6hA1 ALA 417 H -0.12 0.55 -0.22 -0.55 8.40 8.06 2j6hA1 ALA 417 HA -0.06 -0.01 0.37 -0.75 4.34 3.88 2j6hA1 ALA 417 HB3 -0.09 0.01 0.12 -0.04 1.41 1.42 2j6hA1 LYS 418 H -0.02 0.56 -0.14 -0.55 8.42 8.27 2j6hA1 LYS 418 HA 0.00 -0.02 0.38 -0.75 4.32 3.93 2j6hA1 LYS 418 HB2 -0.00 0.02 0.12 -0.04 1.87 1.97 2j6hA1 LYS 418 HB3 0.02 0.09 0.17 -0.04 1.79 2.03 2j6hA1 LYS 418 HG2 0.01 -0.07 -0.05 -0.04 1.46 1.31 2j6hA1 LYS 418 HG3 0.02 0.03 -0.17 -0.04 1.46 1.29 2j6hA1 LYS 418 HD2 0.01 -0.03 0.11 -0.04 1.69 1.74 2j6hA1 LYS 418 HD3 0.00 0.08 0.02 -0.04 1.68 1.74 2j6hA1 LYS 418 HE2 0.00 -0.09 -0.05 -0.04 2.99 2.81 2j6hA1 LYS 418 HE3 0.01 0.02 -0.05 -0.04 2.99 2.93 2j6hA1 LEU 419 H 0.06 0.64 -0.22 -0.55 8.37 8.30 2j6hA1 LEU 419 HA 0.04 0.04 0.40 -0.75 4.35 4.07 2j6hA1 LEU 419 HB2 0.14 0.01 0.04 -0.04 1.64 1.79 2j6hA1 LEU 419 HB3 0.07 0.08 0.01 -0.04 1.64 1.77 2j6hA1 LEU 419 HG 0.13 0.22 0.01 -0.04 1.64 1.96 2j6hA1 LEU 419 HD13 0.12 -0.02 -0.11 -0.04 0.93 0.88 2j6hA1 LEU 419 HD23 0.04 0.00 -0.08 -0.04 0.89 0.81 2j6hA1 SER 420 H 0.03 0.51 -0.12 -0.55 8.46 8.33 2j6hA1 SER 420 HA 0.03 0.12 0.52 -0.75 4.49 4.40 2j6hA1 SER 420 HB2 0.01 -0.07 0.02 -0.04 3.95 3.87 2j6hA1 SER 420 HB3 0.01 0.06 0.07 -0.04 3.93 4.03 2j6hA1 ARG 421 H 0.01 0.43 -0.24 -0.55 8.46 8.11 2j6hA1 ARG 421 HA 0.01 0.03 0.56 -0.75 4.34 4.18 2j6hA1 ARG 421 HB2 0.01 0.21 0.18 -0.04 1.90 2.25 2j6hA1 ARG 421 HB3 0.01 -0.02 0.02 -0.04 1.80 1.77 2j6hA1 ARG 421 HG2 0.01 -0.04 0.04 -0.04 1.67 1.64 2j6hA1 ARG 421 HG3 0.00 0.04 0.05 -0.04 1.67 1.73 2j6hA1 ARG 421 HD2 0.01 -0.07 0.04 -0.04 3.22 3.16 2j6hA1 ARG 421 HD3 0.01 0.03 0.03 -0.04 3.22 3.24 2j6hA1 LEU 422 H 0.02 0.36 -0.08 -0.55 8.37 8.13 2j6hA1 LEU 422 HA 0.01 0.05 0.59 -0.75 4.35 4.25 2j6hA1 LEU 422 HB2 0.02 0.11 0.06 -0.04 1.64 1.79 2j6hA1 LEU 422 HB3 0.02 0.00 0.06 -0.04 1.64 1.68 2j6hA1 LEU 422 HG 0.02 0.14 0.05 -0.04 1.64 1.80 2j6hA1 LEU 422 HD13 0.02 -0.04 -0.14 -0.04 0.93 0.73 2j6hA1 LEU 422 HD23 0.01 -0.02 -0.03 -0.04 0.89 0.81 2j6hA1 LYS 423 H 0.02 0.28 -0.35 -0.55 8.42 7.82 2j6hA1 LYS 423 HA 0.02 0.12 0.50 -0.75 4.32 4.21 2j6hA1 LYS 423 HB2 0.03 0.04 0.16 -0.04 1.87 2.06 2j6hA1 LYS 423 HB3 0.02 -0.07 -0.03 -0.04 1.79 1.67 2j6hA1 LYS 423 HG2 0.03 0.02 0.03 -0.04 1.46 1.50 2j6hA1 LYS 423 HG3 0.03 0.03 -0.02 -0.04 1.46 1.46 2j6hA1 LYS 423 HD2 0.04 -0.03 -0.07 -0.04 1.69 1.59 2j6hA1 LYS 423 HD3 0.04 0.06 0.00 -0.04 1.68 1.75 2j6hA1 LYS 423 HE2 0.03 -0.09 -0.02 -0.04 2.99 2.87 2j6hA1 LYS 423 HE3 0.03 -0.05 0.01 -0.04 2.99 2.94 2j6hA1 GLY 424 H 0.02 0.05 -0.44 -0.55 8.43 7.51 2j6hA1 GLY 424 HA2 0.01 0.03 0.31 -0.51 4.01 3.85 2j6hA1 GLY 424 HA3 0.01 0.07 0.57 -0.51 4.01 4.15 2j6hA1 LEU 425 H 0.02 0.54 0.20 -0.55 8.37 8.58 2j6hA1 LEU 425 HA 0.01 0.16 0.80 -0.75 4.35 4.56 2j6hA1 LEU 425 HB2 0.02 -0.00 0.07 -0.04 1.64 1.69 2j6hA1 LEU 425 HB3 0.02 -0.13 0.17 -0.04 1.64 1.65 2j6hA1 LEU 425 HG 0.02 0.04 -0.07 -0.04 1.64 1.59 2j6hA1 LEU 425 HD13 0.03 0.02 0.04 -0.04 0.93 0.98 2j6hA1 LEU 425 HD23 0.02 0.02 -0.08 -0.04 0.89 0.80 2j6hA1 ASP 426 H 0.01 0.15 0.13 -0.55 8.40 8.15 2j6hA1 ASP 426 HA 0.00 0.06 0.53 -0.75 4.63 4.46 2j6hA1 ASP 426 HB2 0.00 0.12 0.20 -0.04 2.71 2.99 2j6hA1 ASP 426 HB3 0.00 -0.10 0.17 -0.04 2.70 2.73 2j6hA1 ALA 427 H 0.01 0.23 0.24 -0.55 8.40 8.34 2j6hA1 ALA 427 HA 0.02 0.12 0.42 -0.75 4.34 4.14 2j6hA1 ALA 427 HB3 0.02 0.04 0.10 -0.04 1.41 1.53 2j6hA1 SER 428 H -0.00 0.08 -0.34 -0.55 8.46 7.65 2j6hA1 SER 428 HA 0.01 0.05 0.54 -0.75 4.49 4.34 2j6hA1 SER 428 HB2 -0.05 0.02 0.05 -0.04 3.95 3.93 2j6hA1 SER 428 HB3 -0.03 0.01 0.06 -0.04 3.93 3.93 2j6hA1 ILE 429 H 0.01 0.75 -0.13 -0.55 8.25 8.32 2j6hA1 ILE 429 HA -0.01 0.00 0.42 -0.75 4.18 3.84 2j6hA1 ILE 429 HB -0.00 0.07 0.07 -0.04 1.89 1.99 2j6hA1 ILE 429 HG12 0.00 -0.07 0.07 -0.04 1.49 1.45 2j6hA1 ILE 429 HG13 0.00 -0.02 0.13 -0.04 1.21 1.29 2j6hA1 ILE 429 HG23 -0.02 0.02 -0.13 -0.04 0.93 0.75 2j6hA1 ILE 429 HD13 0.01 0.08 0.09 -0.04 0.88 1.02 2j6hA1 GLU 430 H 0.01 0.26 -0.13 -0.55 8.60 8.19 2j6hA1 GLU 430 HA -0.05 0.02 0.50 -0.75 4.29 4.01 2j6hA1 GLU 430 HB2 -0.02 0.10 0.11 -0.04 2.09 2.25 2j6hA1 GLU 430 HB3 0.01 0.13 0.17 -0.04 1.99 2.26 2j6hA1 GLU 430 HG2 -0.02 0.08 -0.35 -0.04 2.34 2.00 2j6hA1 GLU 430 HG3 -0.04 -0.11 0.01 -0.04 2.34 2.16 2j6hA1 HIS 431 H 0.10 0.49 -0.14 -0.55 8.41 8.31 2j6hA1 HIS 431 HA -0.02 0.08 0.41 -0.75 4.63 4.34 2j6hA1 HIS 431 HB2 -0.02 0.11 0.15 -0.04 3.26 3.47 2j6hA1 HIS 431 HB3 -0.03 0.06 0.14 -0.04 3.20 3.33 2j6hA1 HIS 431 HD2 -0.02 0.04 -0.00 -0.04 6.97 6.94 2j6hA1 HIS 431 HE1 0.03 -0.01 -0.02 -0.04 7.75 7.70 2j6hA1 ASP 432 H 0.06 0.61 -0.19 -0.55 8.40 8.33 2j6hA1 ASP 432 HA 0.05 0.01 0.44 -0.75 4.63 4.38 2j6hA1 ASP 432 HB2 -0.02 0.13 0.14 -0.04 2.71 2.92 2j6hA1 ASP 432 HB3 -0.03 -0.13 0.06 -0.04 2.70 2.55 2j6hA1 ILE 433 H -0.06 0.52 -0.12 -0.55 8.25 8.05 2j6hA1 ILE 433 HA -0.16 -0.08 0.49 -0.75 4.18 3.67 2j6hA1 ILE 433 HB -0.12 0.16 0.19 -0.04 1.89 2.08 2j6hA1 ILE 433 HG12 -0.28 -0.11 0.03 -0.04 1.49 1.09 2j6hA1 ILE 433 HG13 -0.13 0.19 0.12 -0.04 1.21 1.35 2j6hA1 ILE 433 HG23 -0.24 0.00 -0.16 -0.04 0.93 0.49 2j6hA1 ILE 433 HD13 -0.17 0.00 -0.09 -0.04 0.88 0.58 2j6hA1 VAL 434 H -0.08 0.70 -0.12 -0.55 8.24 8.19 2j6hA1 VAL 434 HA -0.11 0.01 0.37 -0.75 4.13 3.65 2j6hA1 VAL 434 HB -0.16 0.12 0.14 -0.04 2.12 2.18 2j6hA1 VAL 434 HG13 -0.13 0.00 -0.14 -0.04 0.97 0.66 2j6hA1 VAL 434 HG23 -0.09 0.01 -0.05 -0.04 0.95 0.78 2j6hA1 HIS 435 H 0.00 0.56 -0.12 -0.55 8.41 8.32 2j6hA1 HIS 435 HA -0.10 0.02 0.31 -0.75 4.63 4.11 2j6hA1 HIS 435 HB2 -0.05 0.10 0.14 -0.04 3.26 3.42 2j6hA1 HIS 435 HB3 -0.03 0.06 0.17 -0.04 3.20 3.35 2j6hA1 HIS 435 HD2 0.02 0.02 0.01 -0.04 6.97 6.97 2j6hA1 HIS 435 HE1 -0.04 -0.03 -0.04 -0.04 7.75 7.61 2j6hA1 GLY 436 H 0.02 0.50 -0.25 -0.55 8.43 8.15 2j6hA1 GLY 436 HA2 0.01 -0.05 0.40 -0.51 4.01 3.87 2j6hA1 GLY 436 HA3 -0.05 -0.02 0.31 -0.51 4.01 3.74 2j6hA1 LEU 437 H -0.11 0.65 -0.08 -0.55 8.37 8.29 2j6hA1 LEU 437 HA -0.09 -0.08 0.27 -0.75 4.35 3.70 2j6hA1 LEU 437 HB2 -0.11 0.12 0.10 -0.04 1.64 1.71 2j6hA1 LEU 437 HB3 -0.09 -0.02 -0.02 -0.04 1.64 1.47 2j6hA1 LEU 437 HG -0.18 0.19 0.07 -0.04 1.64 1.68 2j6hA1 LEU 437 HD13 -0.13 -0.01 -0.08 -0.04 0.93 0.67 2j6hA1 LEU 437 HD23 -0.18 -0.04 0.00 -0.04 0.89 0.63 2j6hA1 GLN 438 H -0.12 0.62 -0.21 -0.55 8.47 8.22 2j6hA1 GLN 438 HA -0.09 0.02 0.39 -0.75 4.36 3.93 2j6hA1 GLN 438 HB2 -0.20 0.08 0.07 -0.04 2.15 2.06 2j6hA1 GLN 438 HB3 -0.13 -0.06 0.04 -0.04 2.02 1.83 2j6hA1 GLN 438 HG2 -0.09 -0.05 0.01 -0.04 2.40 2.23 2j6hA1 GLN 438 HG3 -0.11 0.24 0.05 -0.04 2.39 2.52 2j6hA1 GLN 438 HE21 -0.09 -0.06 -0.07 -0.04 6.97 6.71 2j6hA1 GLN 438 HE22 -0.08 0.00 -0.05 -0.04 7.69 7.52 2j6hA1 ALA 439 H -0.12 0.45 -0.42 -0.55 8.40 7.76 2j6hA1 ALA 439 HA -0.10 0.06 0.47 -0.75 4.34 4.01 2j6hA1 ALA 439 HB3 -0.11 0.01 0.11 -0.04 1.41 1.37 2j6hA1 LEU 440 H -0.06 0.46 -0.02 -0.55 8.37 8.20 2j6hA1 LEU 440 HA -0.01 -0.11 0.35 -0.75 4.35 3.83 2j6hA1 LEU 440 HB2 -0.04 0.04 0.12 -0.04 1.64 1.73 2j6hA1 LEU 440 HB3 -0.03 0.20 0.13 -0.04 1.64 1.90 2j6hA1 LEU 440 HG 0.02 -0.03 -0.13 -0.04 1.64 1.46 2j6hA1 LEU 440 HD13 0.08 -0.05 -0.02 -0.04 0.93 0.90 2j6hA1 LEU 440 HD23 -0.01 0.00 -0.02 -0.04 0.89 0.82 2j6hA1 PRO 441 HA -0.00 -0.06 0.38 -0.51 4.44 4.25 2j6hA1 PRO 441 HB2 -0.02 0.02 0.10 -0.04 2.28 2.34 2j6hA1 PRO 441 HB3 -0.01 0.11 0.15 -0.04 2.02 2.22 2j6hA1 PRO 441 HG2 -0.04 0.10 0.03 -0.04 2.03 2.09 2j6hA1 PRO 441 HG3 -0.03 -0.03 0.01 -0.04 2.03 1.94 2j6hA1 PRO 441 HD2 -0.05 0.25 -0.46 -0.04 3.68 3.38 2j6hA1 PRO 441 HD3 -0.04 0.18 0.08 -0.04 3.65 3.83 2j6hA1 SER 442 H -0.02 0.33 -0.12 -0.55 8.46 8.11 2j6hA1 SER 442 HA 0.01 0.03 0.62 -0.75 4.49 4.40 2j6hA1 SER 442 HB2 -0.00 -0.03 0.11 -0.04 3.95 3.99 2j6hA1 SER 442 HB3 -0.01 -0.01 0.09 -0.04 3.93 3.96 2j6hA1 ARG 443 H 0.00 0.50 -0.08 -0.55 8.46 8.33 2j6hA1 ARG 443 HA 0.03 0.05 0.51 -0.75 4.34 4.18 2j6hA1 ARG 443 HB2 0.02 0.06 0.16 -0.04 1.90 2.10 2j6hA1 ARG 443 HB3 -0.07 -0.07 -0.03 -0.04 1.80 1.59 2j6hA1 ARG 443 HG2 -0.08 0.07 -0.08 -0.04 1.67 1.54 2j6hA1 ARG 443 HG3 -0.12 -0.06 -0.19 -0.04 1.67 1.26 2j6hA1 ARG 443 HD2 -0.46 -0.13 -0.00 -0.04 3.22 2.58 2j6hA1 ARG 443 HD3 -0.30 0.05 -0.03 -0.04 3.22 2.90 2j6hA1 ILE 444 H 0.09 0.74 0.02 -0.55 8.25 8.54 2j6hA1 ILE 444 HA 0.08 0.00 0.48 -0.75 4.18 3.98 2j6hA1 ILE 444 HB 0.02 0.20 0.10 -0.04 1.89 2.17 2j6hA1 ILE 444 HG12 0.04 -0.01 0.01 -0.04 1.49 1.49 2j6hA1 ILE 444 HG13 0.13 -0.01 -0.02 -0.04 1.21 1.27 2j6hA1 ILE 444 HG23 -0.05 -0.02 -0.18 -0.04 0.93 0.64 2j6hA1 ILE 444 HD13 0.02 -0.01 -0.14 -0.04 0.88 0.71 2j6hA1 GLU 445 H 0.03 0.56 -0.06 -0.55 8.60 8.58 2j6hA1 GLU 445 HA -0.00 0.01 0.40 -0.75 4.29 3.94 2j6hA1 GLU 445 HB2 0.01 0.16 0.20 -0.04 2.09 2.42 2j6hA1 GLU 445 HB3 0.02 0.09 0.07 -0.04 1.99 2.13 2j6hA1 GLU 445 HG2 0.03 -0.00 0.02 -0.04 2.34 2.34 2j6hA1 GLU 445 HG3 0.03 -0.03 0.13 -0.04 2.34 2.43 2j6hA1 GLN 446 H 0.06 0.30 -0.74 -0.55 8.47 7.54 2j6hA1 GLN 446 HA 0.04 0.10 0.66 -0.75 4.36 4.41 2j6hA1 GLN 446 HB2 0.06 0.18 0.13 -0.04 2.15 2.48 2j6hA1 GLN 446 HB3 0.11 0.04 0.02 -0.04 2.02 2.15 2j6hA1 GLN 446 HG2 0.05 -0.02 0.02 -0.04 2.40 2.41 2j6hA1 GLN 446 HG3 0.06 -0.04 0.01 -0.04 2.39 2.38 2j6hA1 GLN 446 HE21 0.03 0.00 0.03 -0.04 6.97 7.00 2j6hA1 GLN 446 HE22 0.04 -0.02 0.03 -0.04 7.69 7.70 2j6hA1 MET 447 H 0.08 0.39 0.10 -0.55 8.47 8.49 2j6hA1 MET 447 HA -0.06 0.03 0.57 -0.75 4.52 4.31 2j6hA1 MET 447 HB2 -0.27 0.03 0.18 -0.04 2.15 2.04 2j6hA1 MET 447 HB3 -0.16 0.14 0.20 -0.04 2.03 2.17 2j6hA1 MET 447 HG2 -0.54 0.06 0.05 -0.04 2.63 2.16 2j6hA1 MET 447 HG3 -0.24 -0.05 -0.15 -0.04 2.56 2.07 2j6hA1 MET 447 HE3 -1.13 -0.00 -0.04 -0.04 2.10 0.88 2j6hA1 LEU 448 H -0.06 0.58 -0.27 -0.55 8.37 8.07 2j6hA1 LEU 448 HA -0.17 -0.03 0.19 -0.75 4.35 3.59 2j6hA1 LEU 448 HB2 -0.05 0.22 0.10 -0.04 1.64 1.87 2j6hA1 LEU 448 HB3 -0.23 -0.07 0.06 -0.04 1.64 1.36 2j6hA1 LEU 448 HG -0.17 0.26 0.02 -0.04 1.64 1.72 2j6hA1 LEU 448 HD13 -0.25 -0.02 0.02 -0.04 0.93 0.64 2j6hA1 LEU 448 HD23 -0.53 -0.03 -0.10 -0.04 0.89 0.19 2j6hA1 SER 449 H 0.01 0.36 -0.68 -0.55 8.46 7.61 2j6hA1 SER 449 HA 0.08 0.04 0.30 -0.75 4.49 4.16 2j6hA1 SER 449 HB2 0.05 -0.06 0.15 -0.04 3.95 4.05 2j6hA1 SER 449 HB3 0.05 0.04 0.12 -0.04 3.93 4.09 2j6hA1 GLN 450 H 0.02 0.55 -0.33 -0.55 8.47 8.15 2j6hA1 GLN 450 HA 0.04 0.10 0.82 -0.75 4.36 4.56 2j6hA1 GLN 450 HB2 0.01 0.20 0.14 -0.04 2.15 2.46 2j6hA1 GLN 450 HB3 0.04 -0.10 0.16 -0.04 2.02 2.07 2j6hA1 GLN 450 HG2 0.03 -0.03 0.08 -0.04 2.40 2.44 2j6hA1 GLN 450 HG3 0.03 0.06 -0.01 -0.04 2.39 2.43 2j6hA1 GLN 450 HE21 0.05 0.61 0.22 -0.04 6.97 7.80 2j6hA1 GLN 450 HE22 0.03 -0.05 0.08 -0.04 7.69 7.71 2j6hA1 ASP 451 H 0.07 0.46 -0.29 -0.55 8.40 8.09 2j6hA1 ASP 451 HA 0.11 0.01 0.39 -0.75 4.63 4.38 2j6hA1 ASP 451 HB2 0.19 0.29 0.20 -0.04 2.71 3.35 2j6hA1 ASP 451 HB3 0.16 -0.04 0.09 -0.04 2.70 2.87 2j6hA1 LYS 452 H 0.05 0.22 -0.19 -0.55 8.42 7.95 2j6hA1 LYS 452 HA -0.02 0.06 0.40 -0.75 4.32 4.01 2j6hA1 LYS 452 HB2 0.03 0.05 0.10 -0.04 1.87 2.01 2j6hA1 LYS 452 HB3 0.01 0.05 -0.03 -0.04 1.79 1.77 2j6hA1 LYS 452 HG2 0.03 -0.01 0.04 -0.04 1.46 1.47 2j6hA1 LYS 452 HG3 0.02 0.04 0.03 -0.04 1.46 1.50 2j6hA1 LYS 452 HD2 -0.01 0.01 0.00 -0.04 1.69 1.66 2j6hA1 LYS 452 HD3 -0.02 -0.04 0.10 -0.04 1.68 1.68 2j6hA1 LYS 452 HE2 0.01 0.01 0.00 -0.04 2.99 2.97 2j6hA1 LYS 452 HE3 -0.00 0.02 -0.00 -0.04 2.99 2.97 2j6hA1 ARG 453 H 0.02 0.23 -0.31 -0.55 8.46 7.85 2j6hA1 ARG 453 HA -0.00 0.06 0.35 -0.75 4.34 3.99 2j6hA1 ARG 453 HB2 0.02 0.05 0.14 -0.04 1.90 2.08 2j6hA1 ARG 453 HB3 0.01 0.02 -0.06 -0.04 1.80 1.74 2j6hA1 ARG 453 HG2 0.00 0.02 0.07 -0.04 1.67 1.72 2j6hA1 ARG 453 HG3 0.01 -0.03 0.02 -0.04 1.67 1.63 2j6hA1 ARG 453 HD2 0.02 0.01 0.07 -0.04 3.22 3.28 2j6hA1 ARG 453 HD3 0.00 -0.00 0.07 -0.04 3.22 3.26 2j6hA1 ILE 454 H 0.03 0.35 -0.20 -0.55 8.25 7.88 2j6hA1 ILE 454 HA 0.10 0.04 0.39 -0.75 4.18 3.96 2j6hA1 ILE 454 HB 0.08 0.10 0.12 -0.04 1.89 2.15 2j6hA1 ILE 454 HG12 0.09 0.25 0.04 -0.04 1.49 1.83 2j6hA1 ILE 454 HG13 0.11 -0.06 -0.08 -0.04 1.21 1.14 2j6hA1 ILE 454 HG23 0.19 -0.02 -0.21 -0.04 0.93 0.86 2j6hA1 ILE 454 HD13 0.34 -0.01 -0.07 -0.04 0.88 1.10 2j6hA1 GLU 455 H -0.18 0.64 -0.05 -0.55 8.60 8.46 2j6hA1 GLU 455 HA -0.44 -0.00 0.36 -0.75 4.29 3.46 2j6hA1 GLU 455 HB2 -0.78 -0.03 0.07 -0.04 2.09 1.31 2j6hA1 GLU 455 HB3 -0.20 0.14 0.15 -0.04 1.99 2.04 2j6hA1 GLU 455 HG2 -0.11 0.03 -0.21 -0.04 2.34 2.01 2j6hA1 GLU 455 HG3 -0.23 -0.02 0.02 -0.04 2.34 2.07 2j6hA1 ALA 456 H -0.06 0.46 -0.19 -0.55 8.40 8.06 2j6hA1 ALA 456 HA -0.03 0.03 0.39 -0.75 4.34 3.98 2j6hA1 ALA 456 HB3 -0.01 0.02 0.07 -0.04 1.41 1.45 2j6hA1 LEU 457 H 0.01 0.49 -0.20 -0.55 8.37 8.12 2j6hA1 LEU 457 HA 0.03 0.02 0.45 -0.75 4.35 4.09 2j6hA1 LEU 457 HB2 0.05 0.14 0.15 -0.04 1.64 1.94 2j6hA1 LEU 457 HB3 0.12 0.11 0.04 -0.04 1.64 1.87 2j6hA1 LEU 457 HG 0.27 -0.02 -0.06 -0.04 1.64 1.79 2j6hA1 LEU 457 HD13 0.06 -0.00 -0.04 -0.04 0.93 0.91 2j6hA1 LEU 457 HD23 0.13 -0.02 -0.13 -0.04 0.89 0.83 2j6hA1 ALA 458 H 0.05 0.42 -0.37 -0.55 8.40 7.95 2j6hA1 ALA 458 HA 0.24 -0.01 0.23 -0.75 4.34 4.05 2j6hA1 ALA 458 HB3 0.07 0.05 -0.06 -0.04 1.41 1.43 2j6hA1 GLU 459 H 0.03 0.37 -0.44 -0.55 8.60 8.00 2j6hA1 GLU 459 HA 0.02 0.03 0.37 -0.75 4.29 3.95 2j6hA1 GLU 459 HB2 -0.01 0.22 0.16 -0.04 2.09 2.41 2j6hA1 GLU 459 HB3 -0.02 -0.01 -0.05 -0.04 1.99 1.87 2j6hA1 GLU 459 HG2 -0.01 -0.04 0.05 -0.04 2.34 2.30 2j6hA1 GLU 459 HG3 -0.01 -0.02 0.12 -0.04 2.34 2.39 2j6hA1 ASP 460 H -0.01 0.51 -0.57 -0.55 8.40 7.78 2j6hA1 ASP 460 HA -0.13 0.04 0.37 -0.75 4.63 4.15 2j6hA1 ASP 460 HB2 -0.28 0.30 0.12 -0.04 2.71 2.80 2j6hA1 ASP 460 HB3 -0.45 -0.03 0.01 -0.04 2.70 2.19 2j6hA1 PHE 461 H 0.12 0.57 -0.26 -0.55 8.34 8.21 2j6hA1 PHE 461 HA -0.10 0.13 0.75 -0.75 4.62 4.65 2j6hA1 PHE 461 HB2 -0.08 0.11 0.07 -0.04 3.15 3.20 2j6hA1 PHE 461 HB3 -0.08 -0.01 0.11 -0.04 3.06 3.04 2j6hA1 PHE 461 HD2 -0.12 0.07 -0.01 -0.04 7.28 7.17 2j6hA1 PHE 461 HE2 -0.33 -0.01 -0.12 -0.04 7.38 6.87 2j6hA1 PHE 461 HZ -0.86 -0.05 -0.14 -0.04 7.32 6.22 2j6hA1 SER 462 H -0.02 0.35 -0.40 -0.55 8.46 7.85 2j6hA1 SER 462 HA -0.00 0.10 0.39 -0.75 4.49 4.22 2j6hA1 SER 462 HB2 -0.01 -0.00 0.08 -0.04 3.95 3.98 2j6hA1 SER 462 HB3 -0.01 0.09 0.17 -0.04 3.93 4.14 2j6hA1 ASP 463 H -0.06 0.11 -0.17 -0.55 8.40 7.74 2j6hA1 ASP 463 HA -0.09 0.25 0.91 -0.75 4.63 4.94 2j6hA1 ASP 463 HB2 -0.03 -0.00 0.05 -0.04 2.71 2.68 2j6hA1 ASP 463 HB3 -0.01 -0.03 0.17 -0.04 2.70 2.79 2j6hA1 LYS 464 H -0.09 0.32 -0.50 -0.55 8.42 7.59 2j6hA1 LYS 464 HA -0.07 0.08 0.78 -0.75 4.32 4.36 2j6hA1 LYS 464 HB2 0.08 0.03 0.15 -0.04 1.87 2.10 2j6hA1 LYS 464 HB3 0.08 0.06 0.16 -0.04 1.79 2.04 2j6hA1 LYS 464 HG2 -0.14 -0.02 0.08 -0.04 1.46 1.35 2j6hA1 LYS 464 HG3 -0.25 -0.01 0.10 -0.04 1.46 1.26 2j6hA1 LYS 464 HD2 0.02 0.04 0.17 -0.04 1.69 1.88 2j6hA1 LYS 464 HD3 -0.03 -0.05 -0.07 -0.04 1.68 1.50 2j6hA1 LYS 464 HE2 -0.16 0.01 0.04 -0.04 2.99 2.84 2j6hA1 LYS 464 HE3 -0.03 0.26 0.07 -0.04 2.99 3.25 2j6hA1 HIS 465 H 0.06 0.11 0.22 -0.55 8.41 8.26 2j6hA1 HIS 465 HA -0.03 0.22 0.85 -0.75 4.63 4.92 2j6hA1 HIS 465 HB2 -0.19 -0.02 0.07 -0.04 3.26 3.09 2j6hA1 HIS 465 HB3 -0.22 -0.04 0.19 -0.04 3.20 3.09 2j6hA1 HIS 465 HD2 0.04 -0.00 -0.01 -0.04 6.97 6.95 2j6hA1 HIS 465 HE1 0.02 -0.01 -0.04 -0.04 7.75 7.68 2j6hA1 HIS 466 H 0.16 0.22 0.17 -0.55 8.41 8.42 2j6hA1 HIS 466 HA 0.14 0.30 0.67 -0.75 4.63 4.98 2j6hA1 HIS 466 HB2 0.09 -0.01 -0.06 -0.04 3.26 3.24 2j6hA1 HIS 466 HB3 0.05 0.01 0.07 -0.04 3.20 3.29 2j6hA1 HIS 466 HD2 0.12 -0.03 -0.07 -0.04 6.97 6.94 2j6hA1 HIS 466 HE1 0.11 -0.04 -0.00 -0.04 7.75 7.78 2j6hA1 ALA 467 H 0.21 0.48 0.15 -0.55 8.40 8.70 2j6hA1 ALA 467 HA 0.21 0.27 0.66 -0.75 4.34 4.73 2j6hA1 ALA 467 HB3 0.26 -0.00 -0.19 -0.04 1.41 1.43 2j6hA1 LEU 468 H 0.16 0.62 0.30 -0.55 8.37 8.91 2j6hA1 LEU 468 HA 0.29 0.24 1.05 -0.75 4.35 5.18 2j6hA1 LEU 468 HB2 0.16 -0.04 0.09 -0.04 1.64 1.81 2j6hA1 LEU 468 HB3 0.31 -0.00 0.04 -0.04 1.64 1.94 2j6hA1 LEU 468 HG 0.13 0.06 -0.05 -0.04 1.64 1.74 2j6hA1 LEU 468 HD13 0.10 -0.01 -0.10 -0.04 0.93 0.87 2j6hA1 LEU 468 HD23 0.20 0.00 -0.19 -0.04 0.89 0.86 2j6hA1 PHE 469 H 0.45 0.80 0.39 -0.55 8.34 9.43 2j6hA1 PHE 469 HA 0.11 0.33 1.09 -0.75 4.62 5.40 2j6hA1 PHE 469 HB2 0.04 -0.06 0.01 -0.04 3.15 3.10 2j6hA1 PHE 469 HB3 0.05 -0.08 0.02 -0.04 3.06 3.01 2j6hA1 PHE 469 HD2 0.01 -0.03 -0.26 -0.04 7.28 6.96 2j6hA1 PHE 469 HE2 -0.07 0.02 -0.19 -0.04 7.38 7.10 2j6hA1 PHE 469 HZ -0.15 0.04 -0.19 -0.04 7.32 6.98 2j6hA1 LEU 470 H 0.15 0.65 0.39 -0.55 8.37 9.02 2j6hA1 LEU 470 HA 0.23 0.35 1.16 -0.75 4.35 5.33 2j6hA1 LEU 470 HB2 0.10 0.01 0.04 -0.04 1.64 1.75 2j6hA1 LEU 470 HB3 0.11 -0.11 0.00 -0.04 1.64 1.61 2j6hA1 LEU 470 HG 0.13 0.03 -0.39 -0.04 1.64 1.38 2j6hA1 LEU 470 HD13 0.06 0.00 -0.15 -0.04 0.93 0.80 2j6hA1 LEU 470 HD23 0.19 0.08 -0.19 -0.04 0.89 0.93 2j6hA1 GLY 471 H 0.20 0.39 0.39 -0.55 8.43 8.86 2j6hA1 GLY 471 HA2 0.08 0.22 0.57 -0.51 4.01 4.37 2j6hA1 GLY 471 HA3 0.12 0.09 0.15 -0.51 4.01 3.86 2j6hA1 ARG 472 H 0.03 0.32 0.15 -0.55 8.46 8.40 2j6hA1 ARG 472 HA 0.02 0.15 1.03 -0.75 4.34 4.79 2j6hA1 ARG 472 HB2 0.02 0.06 0.07 -0.04 1.90 2.01 2j6hA1 ARG 472 HB3 0.01 0.02 -0.01 -0.04 1.80 1.78 2j6hA1 ARG 472 HG2 0.02 -0.03 0.14 -0.04 1.67 1.76 2j6hA1 ARG 472 HG3 0.04 0.01 -0.13 -0.04 1.67 1.55 2j6hA1 ARG 472 HD2 0.03 0.04 -0.05 -0.04 3.22 3.19 2j6hA1 ARG 472 HD3 0.02 0.01 0.01 -0.04 3.22 3.22 2j6hA1 GLY 473 H 0.01 0.21 0.20 -0.55 8.43 8.30 2j6hA1 GLY 473 HA2 -0.02 0.18 0.38 -0.51 4.01 4.03 2j6hA1 GLY 473 HA3 -0.13 0.05 0.43 -0.51 4.01 3.85 2j6hA1 ASP 474 H -0.38 0.18 0.24 -0.55 8.40 7.89 2j6hA1 ASP 474 HA -1.16 0.16 0.40 -0.75 4.63 3.27 2j6hA1 ASP 474 HB2 -0.51 0.06 0.18 -0.04 2.71 2.40 2j6hA1 ASP 474 HB3 -0.46 0.03 0.13 -0.04 2.70 2.36 2j6hA1 GLN 475 H -0.20 0.36 -0.46 -0.55 8.47 7.62 2j6hA1 GLN 475 HA -0.08 0.13 0.59 -0.75 4.36 4.25 2j6hA1 GLN 475 HB2 -0.06 0.21 0.16 -0.04 2.15 2.43 2j6hA1 GLN 475 HB3 -0.04 0.00 0.08 -0.04 2.02 2.02 2j6hA1 GLN 475 HG2 -0.10 -0.07 -0.06 -0.04 2.40 2.13 2j6hA1 GLN 475 HG3 -0.16 0.04 -0.02 -0.04 2.39 2.21 2j6hA1 GLN 475 HE21 0.04 0.10 -0.48 -0.04 6.97 6.59 2j6hA1 GLN 475 HE22 -0.08 -0.03 -0.23 -0.04 7.69 7.31 2j6hA1 TYR 476 H -0.00 0.35 -0.60 -0.55 8.29 7.49 2j6hA1 TYR 476 HA 0.01 -0.02 0.37 -0.75 4.56 4.16 2j6hA1 TYR 476 HB2 0.02 -0.06 -0.09 -0.04 3.06 2.88 2j6hA1 TYR 476 HB3 -0.03 0.30 0.02 -0.04 2.98 3.23 2j6hA1 TYR 476 HD2 0.12 0.04 -0.15 -0.04 7.15 7.12 2j6hA1 TYR 476 HE2 0.08 0.03 -0.15 -0.04 6.85 6.77 2j6hA1 PRO 477 HA -0.43 0.02 0.43 -0.51 4.44 3.96 2j6hA1 PRO 477 HB2 -0.13 0.08 -0.11 -0.04 2.28 2.08 2j6hA1 PRO 477 HB3 -0.19 0.03 0.04 -0.04 2.02 1.87 2j6hA1 PRO 477 HG2 0.01 0.15 -0.35 -0.04 2.03 1.79 2j6hA1 PRO 477 HG3 -0.11 0.03 -0.12 -0.04 2.03 1.79 2j6hA1 PRO 477 HD2 -0.19 0.24 -0.32 -0.04 3.68 3.37 2j6hA1 PRO 477 HD3 0.08 0.18 -0.02 -0.04 3.65 3.86 2j6hA1 ILE 478 H -0.08 0.14 -0.67 -0.55 8.25 7.10 2j6hA1 ILE 478 HA -0.01 0.03 0.54 -0.75 4.18 3.98 2j6hA1 ILE 478 HB 0.01 0.15 0.13 -0.04 1.89 2.14 2j6hA1 ILE 478 HG12 -0.04 0.12 0.12 -0.04 1.49 1.65 2j6hA1 ILE 478 HG13 0.05 -0.02 0.07 -0.04 1.21 1.28 2j6hA1 ILE 478 HG23 0.07 -0.02 -0.16 -0.04 0.93 0.78 2j6hA1 ILE 478 HD13 0.15 -0.03 -0.15 -0.04 0.88 0.81 2j6hA1 ALA 479 H 0.02 0.51 -0.07 -0.55 8.40 8.31 2j6hA1 ALA 479 HA 0.17 0.05 0.43 -0.75 4.34 4.24 2j6hA1 ALA 479 HB3 0.18 0.04 -0.21 -0.04 1.41 1.38 2j6hA1 LEU 480 H -0.18 0.39 -0.34 -0.55 8.37 7.70 2j6hA1 LEU 480 HA -0.17 0.01 0.24 -0.75 4.35 3.68 2j6hA1 LEU 480 HB2 -0.24 0.16 0.13 -0.04 1.64 1.65 2j6hA1 LEU 480 HB3 -0.16 -0.04 -0.04 -0.04 1.64 1.36 2j6hA1 LEU 480 HG -0.52 0.07 -0.11 -0.04 1.64 1.04 2j6hA1 LEU 480 HD13 -0.33 -0.02 -0.07 -0.04 0.93 0.47 2j6hA1 LEU 480 HD23 -0.08 -0.01 -0.09 -0.04 0.89 0.67 2j6hA1 GLU 481 H -0.20 0.47 -0.21 -0.55 8.60 8.11 2j6hA1 GLU 481 HA -0.31 -0.06 0.35 -0.75 4.29 3.52 2j6hA1 GLU 481 HB2 -0.43 -0.00 0.09 -0.04 2.09 1.70 2j6hA1 GLU 481 HB3 -0.30 0.15 0.13 -0.04 1.99 1.92 2j6hA1 GLU 481 HG2 -1.60 -0.02 -0.04 -0.04 2.34 0.64 2j6hA1 GLU 481 HG3 -0.53 0.06 -0.16 -0.04 2.34 1.67 2j6hA1 GLY 482 H -0.20 0.58 -0.23 -0.55 8.43 8.03 2j6hA1 GLY 482 HA2 -0.20 0.01 0.40 -0.51 4.01 3.70 2j6hA1 GLY 482 HA3 -0.17 0.06 0.27 -0.51 4.01 3.66 2j6hA1 ALA 483 H -0.83 0.64 -0.12 -0.55 8.40 7.53 2j6hA1 ALA 483 HA -1.18 0.04 0.34 -0.75 4.34 2.80 2j6hA1 ALA 483 HB3 -0.40 0.04 -0.25 -0.04 1.41 0.75 2j6hA1 LEU 484 H -0.30 0.59 -0.15 -0.55 8.37 7.97 2j6hA1 LEU 484 HA -0.13 0.05 0.49 -0.75 4.35 4.01 2j6hA1 LEU 484 HB2 -0.14 0.02 0.09 -0.04 1.64 1.57 2j6hA1 LEU 484 HB3 -0.20 0.07 0.15 -0.04 1.64 1.61 2j6hA1 LEU 484 HG -0.11 0.02 -0.15 -0.04 1.64 1.36 2j6hA1 LEU 484 HD13 -0.06 0.00 0.06 -0.04 0.93 0.89 2j6hA1 LEU 484 HD23 -0.09 -0.05 -0.05 -0.04 0.89 0.66 2j6hA1 LYS 485 H -0.24 0.66 -0.13 -0.55 8.42 8.15 2j6hA1 LYS 485 HA -0.11 -0.06 0.33 -0.75 4.32 3.72 2j6hA1 LYS 485 HB2 -0.17 0.22 0.12 -0.04 1.87 2.00 2j6hA1 LYS 485 HB3 -0.11 -0.07 -0.03 -0.04 1.79 1.54 2j6hA1 LYS 485 HG2 -0.22 0.06 0.06 -0.04 1.46 1.32 2j6hA1 LYS 485 HG3 -0.17 -0.04 -0.07 -0.04 1.46 1.15 2j6hA1 LYS 485 HD2 -0.10 -0.02 -0.02 -0.04 1.69 1.50 2j6hA1 LYS 485 HD3 -0.10 -0.05 0.04 -0.04 1.68 1.52 2j6hA1 LYS 485 HE2 -0.19 -0.03 0.04 -0.04 2.99 2.76 2j6hA1 LYS 485 HE3 -0.10 0.11 -0.11 -0.04 2.99 2.84 2j6hA1 LEU 486 H -0.21 0.41 -0.31 -0.55 8.37 7.71 2j6hA1 LEU 486 HA -0.08 -0.00 0.32 -0.75 4.35 3.84 2j6hA1 LEU 486 HB2 -0.03 0.01 0.03 -0.04 1.64 1.61 2j6hA1 LEU 486 HB3 -0.09 0.06 0.07 -0.04 1.64 1.64 2j6hA1 LEU 486 HG -0.02 -0.00 -0.21 -0.04 1.64 1.36 2j6hA1 LEU 486 HD13 -0.13 -0.01 -0.04 -0.04 0.93 0.70 2j6hA1 LEU 486 HD23 0.04 0.00 -0.17 -0.04 0.89 0.71 2j6hA1 LYS 487 H -0.08 0.54 -0.01 -0.55 8.42 8.31 2j6hA1 LYS 487 HA 0.05 0.18 0.54 -0.75 4.32 4.34 2j6hA1 LYS 487 HB2 0.06 0.06 0.16 -0.04 1.87 2.11 2j6hA1 LYS 487 HB3 0.01 0.03 0.23 -0.04 1.79 2.02 2j6hA1 LYS 487 HG2 -0.02 0.05 0.06 -0.04 1.46 1.51 2j6hA1 LYS 487 HG3 0.01 -0.04 -0.07 -0.04 1.46 1.31 2j6hA1 LYS 487 HD2 -0.06 0.10 -0.10 -0.04 1.69 1.59 2j6hA1 LYS 487 HD3 -0.04 -0.16 0.02 -0.04 1.68 1.46 2j6hA1 LYS 487 HE2 0.00 -0.07 0.02 -0.04 2.99 2.90 2j6hA1 LYS 487 HE3 0.09 0.05 0.10 -0.04 2.99 3.19 2j6hA1 GLU 488 H -0.02 0.45 -0.27 -0.55 8.60 8.21 2j6hA1 GLU 488 HA 0.08 0.03 0.30 -0.75 4.29 3.95 2j6hA1 GLU 488 HB2 -0.03 0.33 0.21 -0.04 2.09 2.55 2j6hA1 GLU 488 HB3 0.01 -0.04 -0.09 -0.04 1.99 1.83 2j6hA1 GLU 488 HG2 0.03 0.01 0.01 -0.04 2.34 2.34 2j6hA1 GLU 488 HG3 -0.02 -0.03 0.03 -0.04 2.34 2.28 2j6hA1 ILE 489 H -0.03 0.37 -0.05 -0.55 8.25 8.00 2j6hA1 ILE 489 HA 0.02 0.23 1.03 -0.75 4.18 4.70 2j6hA1 ILE 489 HB -0.07 -0.06 0.08 -0.04 1.89 1.79 2j6hA1 ILE 489 HG12 -0.07 0.21 0.07 -0.04 1.49 1.66 2j6hA1 ILE 489 HG13 -0.12 0.05 -0.27 -0.04 1.21 0.83 2j6hA1 ILE 489 HG23 -0.00 -0.01 -0.03 -0.04 0.93 0.85 2j6hA1 ILE 489 HD13 -0.03 -0.08 -0.24 -0.04 0.88 0.49 2j6hA1 SER 490 H -0.11 0.37 -0.05 -0.55 8.46 8.13 2j6hA1 SER 490 HA -0.38 0.16 0.87 -0.75 4.49 4.39 2j6hA1 SER 490 HB2 -0.13 0.09 -0.03 -0.04 3.95 3.85 2j6hA1 SER 490 HB3 -0.14 -0.08 -0.07 -0.04 3.93 3.60 2j6hA1 TYR 491 H 0.05 0.19 -0.17 -0.55 8.29 7.82 2j6hA1 TYR 491 HA 0.00 0.19 0.33 -0.75 4.56 4.33 2j6hA1 TYR 491 HB2 0.02 0.13 0.13 -0.04 3.06 3.30 2j6hA1 TYR 491 HB3 0.01 -0.07 0.15 -0.04 2.98 3.02 2j6hA1 TYR 491 HD2 0.01 0.15 -0.07 -0.04 7.15 7.20 2j6hA1 TYR 491 HE2 0.02 0.11 0.02 -0.04 6.85 6.96 2j6hA1 ILE 492 H 0.03 0.02 -0.52 -0.55 8.25 7.23 2j6hA1 ILE 492 HA 0.09 0.16 0.48 -0.75 4.18 4.16 2j6hA1 ILE 492 HB 0.04 -0.10 -0.19 -0.04 1.89 1.59 2j6hA1 ILE 492 HG12 0.01 0.24 -0.08 -0.04 1.49 1.62 2j6hA1 ILE 492 HG13 -0.01 0.01 -0.14 -0.04 1.21 1.04 2j6hA1 ILE 492 HG23 0.13 -0.04 -0.70 -0.04 0.93 0.28 2j6hA1 ILE 492 HD13 0.06 0.00 -0.09 -0.04 0.88 0.81 2j6hA1 HIS 493 H 0.14 0.47 0.02 -0.55 8.41 8.50 2j6hA1 HIS 493 HA 0.05 0.04 0.49 -0.75 4.63 4.46 2j6hA1 HIS 493 HB2 0.02 0.04 0.19 -0.04 3.26 3.47 2j6hA1 HIS 493 HB3 0.05 0.08 0.39 -0.04 3.20 3.68 2j6hA1 HIS 493 HD2 0.06 0.12 -0.21 -0.04 6.97 6.90 2j6hA1 HIS 493 HE1 0.09 -0.04 -0.01 -0.04 7.75 7.74 2j6hA1 ALA 494 H 0.17 0.32 0.25 -0.55 8.40 8.60 2j6hA1 ALA 494 HA 0.18 0.32 0.77 -0.75 4.34 4.86 2j6hA1 ALA 494 HB3 0.05 -0.02 -0.04 -0.04 1.41 1.35 2j6hA1 GLU 495 H 0.18 0.49 0.35 -0.55 8.60 9.08 2j6hA1 GLU 495 HA -0.04 0.09 0.90 -0.75 4.29 4.48 2j6hA1 GLU 495 HB2 -0.02 0.08 -0.27 -0.04 2.09 1.84 2j6hA1 GLU 495 HB3 0.04 0.03 0.05 -0.04 1.99 2.06 2j6hA1 GLU 495 HG2 -0.59 -0.00 -0.26 -0.04 2.34 1.45 2j6hA1 GLU 495 HG3 -0.22 -0.06 0.06 -0.04 2.34 2.07 2j6hA1 ALA 496 H -0.15 0.15 0.17 -0.55 8.40 8.02 2j6hA1 ALA 496 HA 0.15 0.29 1.16 -0.75 4.34 5.18 2j6hA1 ALA 496 HB3 -0.02 0.00 -0.26 -0.04 1.41 1.09 2j6hA1 TYR 497 H 0.30 0.65 0.32 -0.55 8.29 9.00 2j6hA1 TYR 497 HA 0.21 0.11 0.80 -0.75 4.56 4.93 2j6hA1 TYR 497 HB2 0.10 0.02 -0.09 -0.04 3.06 3.05 2j6hA1 TYR 497 HB3 0.08 0.00 -0.06 -0.04 2.98 2.96 2j6hA1 TYR 497 HD2 0.09 -0.00 -0.12 -0.04 7.15 7.08 2j6hA1 TYR 497 HE2 0.06 0.03 -0.09 -0.04 6.85 6.81 2j6hA1 ALA 498 H 0.05 0.16 0.14 -0.55 8.40 8.21 2j6hA1 ALA 498 HA -0.04 0.17 0.78 -0.75 4.34 4.49 2j6hA1 ALA 498 HB3 -0.57 0.00 0.18 -0.04 1.41 0.98 2j6hA1 ALA 499 H 0.07 0.64 0.37 -0.55 8.40 8.92 2j6hA1 ALA 499 HA 0.08 0.12 0.31 -0.75 4.34 4.10 2j6hA1 ALA 499 HB3 0.06 -0.01 -0.02 -0.04 1.41 1.39 2j6hA1 GLY 500 H 0.01 0.01 -0.24 -0.55 8.43 7.67 2j6hA1 GLY 500 HA2 0.01 0.11 0.41 -0.51 4.01 4.04 2j6hA1 GLY 500 HA3 0.03 0.01 0.25 -0.51 4.01 3.79 2j6hA1 GLU 501 H 0.04 0.42 -0.27 -0.55 8.60 8.24 2j6hA1 GLU 501 HA 0.22 0.14 0.54 -0.75 4.29 4.43 2j6hA1 GLU 501 HB2 0.09 0.04 0.15 -0.04 2.09 2.32 2j6hA1 GLU 501 HB3 0.13 0.03 -0.03 -0.04 1.99 2.09 2j6hA1 GLU 501 HG2 0.02 -0.08 -0.01 -0.04 2.34 2.23 2j6hA1 GLU 501 HG3 0.05 -0.02 0.05 -0.04 2.34 2.37 2j6hA1 LEU 502 H -0.03 0.33 -0.27 -0.55 8.37 7.85 2j6hA1 LEU 502 HA -0.38 0.03 0.09 -0.75 4.35 3.33 2j6hA1 LEU 502 HB2 -0.13 0.03 -0.00 -0.04 1.64 1.50 2j6hA1 LEU 502 HB3 -0.09 0.06 -0.04 -0.04 1.64 1.53 2j6hA1 LEU 502 HG -0.15 -0.06 -0.30 -0.04 1.64 1.09 2j6hA1 LEU 502 HD13 -0.54 0.01 -0.16 -0.04 0.93 0.20 2j6hA1 LEU 502 HD23 -0.05 0.02 -0.13 -0.04 0.89 0.69 2j6hA1 LYS 503 H -0.10 0.20 -0.40 -0.55 8.42 7.57 2j6hA1 LYS 503 HA -0.11 0.07 0.31 -0.75 4.32 3.85 2j6hA1 LYS 503 HB2 -0.16 0.02 0.08 -0.04 1.87 1.77 2j6hA1 LYS 503 HB3 -0.12 -0.00 0.04 -0.04 1.79 1.67 2j6hA1 LYS 503 HG2 -0.24 0.12 -0.05 -0.04 1.46 1.25 2j6hA1 LYS 503 HG3 -0.66 0.02 -0.24 -0.04 1.46 0.54 2j6hA1 LYS 503 HD2 -0.24 -0.01 -0.04 -0.04 1.69 1.36 2j6hA1 LYS 503 HD3 -0.13 -0.00 -0.01 -0.04 1.68 1.49 2j6hA1 LYS 503 HE2 -0.07 -0.04 -0.01 -0.04 2.99 2.83 2j6hA1 LYS 503 HE3 -0.07 -0.03 0.00 -0.04 2.99 2.85 2j6hA1 HIS 504 H 0.01 0.58 -0.56 -0.55 8.41 7.89 2j6hA1 HIS 504 HA -0.01 0.13 0.39 -0.75 4.63 4.38 2j6hA1 HIS 504 HB2 -0.01 0.19 0.15 -0.04 3.26 3.55 2j6hA1 HIS 504 HB3 0.00 -0.04 0.23 -0.04 3.20 3.35 2j6hA1 HIS 504 HD2 -0.01 0.02 0.07 -0.04 6.97 7.01 2j6hA1 HIS 504 HE1 -0.00 -0.02 -0.02 -0.04 7.75 7.67 2j6hA1 GLY 505 H -0.02 0.10 -0.72 -0.55 8.43 7.25 2j6hA1 GLY 505 HA2 0.01 0.02 0.26 -0.51 4.01 3.80 2j6hA1 GLY 505 HA3 0.03 0.15 0.72 -0.51 4.01 4.40 2j6hA1 PRO 506 HA -0.02 0.08 0.35 -0.51 4.44 4.33 2j6hA1 PRO 506 HB2 -0.58 0.02 -0.01 -0.04 2.28 1.67 2j6hA1 PRO 506 HB3 -0.14 0.02 0.07 -0.04 2.02 1.94 2j6hA1 PRO 506 HG2 -0.13 -0.00 -0.05 -0.04 2.03 1.80 2j6hA1 PRO 506 HG3 0.07 0.04 0.00 -0.04 2.03 2.10 2j6hA1 PRO 506 HD2 -0.10 0.21 -0.02 -0.04 3.68 3.74 2j6hA1 PRO 506 HD3 0.02 0.21 -0.23 -0.04 3.65 3.60 2j6hA1 LEU 507 H -0.09 0.21 -0.42 -0.55 8.37 7.52 2j6hA1 LEU 507 HA -0.08 0.02 0.33 -0.75 4.35 3.86 2j6hA1 LEU 507 HB2 -0.08 0.01 -0.09 -0.04 1.64 1.44 2j6hA1 LEU 507 HB3 -0.05 0.05 -0.10 -0.04 1.64 1.50 2j6hA1 LEU 507 HG -0.04 0.06 0.01 -0.04 1.64 1.63 2j6hA1 LEU 507 HD13 -0.05 -0.02 -0.14 -0.04 0.93 0.68 2j6hA1 LEU 507 HD23 -0.05 0.01 -0.06 -0.04 0.89 0.74 2j6hA1 ALA 508 H -0.03 0.35 -0.48 -0.55 8.40 7.69 2j6hA1 ALA 508 HA -0.02 0.12 0.45 -0.75 4.34 4.14 2j6hA1 ALA 508 HB3 -0.01 -0.01 0.07 -0.04 1.41 1.43 2j6hA1 LEU 509 H -0.03 0.44 -0.33 -0.55 8.37 7.90 2j6hA1 LEU 509 HA -0.03 0.07 0.45 -0.75 4.35 4.08 2j6hA1 LEU 509 HB2 -0.01 0.09 0.05 -0.04 1.64 1.72 2j6hA1 LEU 509 HB3 -0.05 -0.05 0.03 -0.04 1.64 1.53 2j6hA1 LEU 509 HG 0.01 -0.01 0.02 -0.04 1.64 1.61 2j6hA1 LEU 509 HD13 0.03 -0.02 -0.01 -0.04 0.93 0.89 2j6hA1 LEU 509 HD23 -0.02 -0.00 -0.06 -0.04 0.89 0.77 2j6hA1 ILE 510 H -0.02 0.23 -0.40 -0.55 8.25 7.51 2j6hA1 ILE 510 HA -0.00 -0.05 0.37 -0.75 4.18 3.75 2j6hA1 ILE 510 HB -0.02 0.18 0.13 -0.04 1.89 2.14 2j6hA1 ILE 510 HG12 -0.02 -0.06 0.02 -0.04 1.49 1.39 2j6hA1 ILE 510 HG13 -0.02 -0.05 0.01 -0.04 1.21 1.11 2j6hA1 ILE 510 HG23 0.00 0.03 -0.23 -0.04 0.93 0.69 2j6hA1 ILE 510 HD13 0.02 -0.02 -0.11 -0.04 0.88 0.73 2j6hA1 ASP 511 H 0.00 0.11 0.24 -0.55 8.40 8.20 2j6hA1 ASP 511 HA -0.00 0.29 0.45 -0.75 4.63 4.61 2j6hA1 ASP 511 HB2 0.00 -0.11 0.20 -0.04 2.71 2.77 2j6hA1 ASP 511 HB3 -0.00 0.16 0.01 -0.04 2.70 2.82 2j6hA1 ALA 512 H 0.01 0.12 0.15 -0.55 8.40 8.14 2j6hA1 ALA 512 HA 0.01 0.49 0.53 -0.75 4.34 4.61 2j6hA1 ALA 512 HB3 0.01 -0.02 0.13 -0.04 1.41 1.49 2j6hA1 ASP 513 H 0.02 -0.03 -0.46 -0.55 8.40 7.38 2j6hA1 ASP 513 HA 0.03 0.27 0.75 -0.75 4.63 4.91 2j6hA1 ASP 513 HB2 0.04 -0.02 -0.01 -0.04 2.71 2.68 2j6hA1 ASP 513 HB3 0.05 0.02 0.12 -0.04 2.70 2.85 2j6hA1 MET 514 H 0.03 0.45 -0.15 -0.55 8.47 8.25 2j6hA1 MET 514 HA 0.07 0.18 0.64 -0.75 4.52 4.66 2j6hA1 MET 514 HB2 0.01 0.04 0.03 -0.04 2.15 2.19 2j6hA1 MET 514 HB3 0.03 -0.03 0.18 -0.04 2.03 2.16 2j6hA1 MET 514 HG2 0.03 -0.06 -0.19 -0.04 2.63 2.37 2j6hA1 MET 514 HG3 0.07 0.04 -0.32 -0.04 2.56 2.31 2j6hA1 MET 514 HE3 -0.07 0.01 -0.11 -0.04 2.10 1.89 2j6hA1 PRO 515 HA 0.19 0.31 0.87 -0.51 4.44 5.30 2j6hA1 PRO 515 HB2 0.08 -0.08 -0.02 -0.04 2.28 2.22 2j6hA1 PRO 515 HB3 -0.21 0.06 0.06 -0.04 2.02 1.89 2j6hA1 PRO 515 HG2 0.24 -0.09 0.30 -0.04 2.03 2.44 2j6hA1 PRO 515 HG3 -0.01 0.04 0.16 -0.04 2.03 2.18 2j6hA1 PRO 515 HD2 0.14 0.01 0.22 -0.04 3.68 4.01 2j6hA1 PRO 515 HD3 0.06 0.37 0.34 -0.04 3.65 4.37 2j6hA1 VAL 516 H 0.26 0.70 0.30 -0.55 8.24 8.95 2j6hA1 VAL 516 HA 0.09 0.27 1.10 -0.75 4.13 4.83 2j6hA1 VAL 516 HB 0.08 -0.05 -0.02 -0.04 2.12 2.09 2j6hA1 VAL 516 HG13 0.07 -0.03 -0.22 -0.04 0.97 0.75 2j6hA1 VAL 516 HG23 0.07 0.02 -0.29 -0.04 0.95 0.71 2j6hA1 ILE 517 H -0.17 0.76 0.38 -0.55 8.25 8.67 2j6hA1 ILE 517 HA 0.08 0.25 0.91 -0.75 4.18 4.66 2j6hA1 ILE 517 HB -1.42 -0.03 0.10 -0.04 1.89 0.50 2j6hA1 ILE 517 HG12 -0.27 -0.03 -0.08 -0.04 1.49 1.07 2j6hA1 ILE 517 HG13 0.04 0.05 -0.10 -0.04 1.21 1.17 2j6hA1 ILE 517 HG23 -0.10 -0.02 -0.13 -0.04 0.93 0.64 2j6hA1 ILE 517 HD13 -0.37 0.01 -0.18 -0.04 0.88 0.30 2j6hA1 VAL 518 H 0.14 0.63 0.41 -0.55 8.24 8.87 2j6hA1 VAL 518 HA 0.08 0.20 1.05 -0.75 4.13 4.72 2j6hA1 VAL 518 HB -0.01 -0.05 -0.02 -0.04 2.12 2.00 2j6hA1 VAL 518 HG13 0.04 -0.01 -0.22 -0.04 0.97 0.75 2j6hA1 VAL 518 HG23 0.04 0.02 -0.38 -0.04 0.95 0.59 2j6hA1 VAL 519 H 0.10 0.33 0.26 -0.55 8.24 8.38 2j6hA1 VAL 519 HA 0.23 0.25 1.04 -0.75 4.13 4.89 2j6hA1 VAL 519 HB -0.04 -0.03 0.05 -0.04 2.12 2.06 2j6hA1 VAL 519 HG13 0.14 0.02 -0.02 -0.04 0.97 1.06 2j6hA1 VAL 519 HG23 0.03 -0.01 0.10 -0.04 0.95 1.03 2j6hA1 ALA 520 H 0.14 0.67 0.12 -0.55 8.40 8.78 2j6hA1 ALA 520 HA 0.01 0.17 0.96 -0.75 4.34 4.72 2j6hA1 ALA 520 HB3 0.14 0.00 -0.09 -0.04 1.41 1.43 2j6hA1 PRO 521 HA 0.19 0.06 0.63 -0.51 4.44 4.81 2j6hA1 PRO 521 HB2 0.05 0.03 -0.08 -0.04 2.28 2.24 2j6hA1 PRO 521 HB3 -0.19 0.06 0.05 -0.04 2.02 1.90 2j6hA1 PRO 521 HG2 -0.05 -0.07 -0.02 -0.04 2.03 1.85 2j6hA1 PRO 521 HG3 -0.16 0.04 -0.02 -0.04 2.03 1.84 2j6hA1 PRO 521 HD2 -0.11 0.14 0.10 -0.04 3.68 3.77 2j6hA1 PRO 521 HD3 -0.49 0.13 -0.11 -0.04 3.65 3.14 2j6hA1 ASN 522 H 0.22 0.14 0.11 -0.55 8.53 8.45 2j6hA1 ASN 522 HA 0.07 0.20 0.81 -0.75 4.76 5.09 2j6hA1 ASN 522 HB2 0.06 -0.07 0.01 -0.04 2.88 2.84 2j6hA1 ASN 522 HB3 -0.02 -0.02 0.21 -0.04 2.79 2.91 2j6hA1 ASN 522 HD21 -0.10 0.08 -0.06 -0.04 7.03 6.90 2j6hA1 ASN 522 HD22 -0.28 -0.07 0.00 -0.04 7.74 7.35 2j6hA1 ASN 523 H 0.05 0.29 0.02 -0.55 8.53 8.34 2j6hA1 ASN 523 HA 0.05 0.27 0.70 -0.75 4.76 5.03 2j6hA1 ASN 523 HB2 0.05 -0.06 0.16 -0.04 2.88 2.99 2j6hA1 ASN 523 HB3 0.07 0.08 -0.21 -0.04 2.79 2.69 2j6hA1 ASN 523 HD21 -0.01 0.01 -0.04 -0.04 7.03 6.95 2j6hA1 ASN 523 HD22 0.03 0.06 -0.07 -0.04 7.74 7.71 2j6hA1 GLU 524 H 0.03 0.19 0.14 -0.55 8.60 8.42 2j6hA1 GLU 524 HA 0.02 0.17 0.50 -0.75 4.29 4.22 2j6hA1 GLU 524 HB2 0.03 -0.04 0.13 -0.04 2.09 2.18 2j6hA1 GLU 524 HB3 0.02 0.07 0.06 -0.04 1.99 2.10 2j6hA1 GLU 524 HG2 0.02 0.07 0.06 -0.04 2.34 2.44 2j6hA1 GLU 524 HG3 0.03 -0.05 0.07 -0.04 2.34 2.34 2j6hA1 LEU 525 H 0.03 0.04 -0.21 -0.55 8.37 7.68 2j6hA1 LEU 525 HA 0.02 0.17 0.59 -0.75 4.35 4.38 2j6hA1 LEU 525 HB2 0.02 0.02 -0.01 -0.04 1.64 1.62 2j6hA1 LEU 525 HB3 0.02 -0.02 0.05 -0.04 1.64 1.65 2j6hA1 LEU 525 HG 0.03 -0.02 -0.00 -0.04 1.64 1.61 2j6hA1 LEU 525 HD13 0.02 0.01 -0.08 -0.04 0.93 0.83 2j6hA1 LEU 525 HD23 0.03 0.03 -0.08 -0.04 0.89 0.83 2j6hA1 LEU 526 H 0.02 0.43 -0.42 -0.55 8.37 7.85 2j6hA1 LEU 526 HA 0.05 0.01 0.21 -0.75 4.35 3.87 2j6hA1 LEU 526 HB2 0.04 -0.09 0.18 -0.04 1.64 1.74 2j6hA1 LEU 526 HB3 0.00 0.10 0.11 -0.04 1.64 1.82 2j6hA1 LEU 526 HG -0.03 -0.01 -0.21 -0.04 1.64 1.35 2j6hA1 LEU 526 HD13 0.17 0.03 -0.02 -0.04 0.93 1.07 2j6hA1 LEU 526 HD23 -0.05 0.05 0.01 -0.04 0.89 0.85 2j6hA1 GLU 527 H -0.00 0.23 -0.11 -0.55 8.60 8.17 2j6hA1 GLU 527 HA -0.03 0.12 0.44 -0.75 4.29 4.07 2j6hA1 GLU 527 HB2 -0.01 0.03 0.09 -0.04 2.09 2.16 2j6hA1 GLU 527 HB3 -0.01 0.04 0.02 -0.04 1.99 2.00 2j6hA1 GLU 527 HG2 -0.04 0.04 0.02 -0.04 2.34 2.31 2j6hA1 GLU 527 HG3 -0.03 -0.01 0.02 -0.04 2.34 2.28 2j6hA1 LYS 528 H 0.01 0.22 -0.29 -0.55 8.42 7.81 2j6hA1 LYS 528 HA 0.01 0.10 0.32 -0.75 4.32 4.00 2j6hA1 LYS 528 HB2 0.02 0.10 0.12 -0.04 1.87 2.06 2j6hA1 LYS 528 HB3 0.02 -0.02 0.01 -0.04 1.79 1.76 2j6hA1 LYS 528 HG2 0.01 0.00 0.05 -0.04 1.46 1.48 2j6hA1 LYS 528 HG3 0.02 -0.02 0.03 -0.04 1.46 1.45 2j6hA1 LYS 528 HD2 0.01 0.01 0.01 -0.04 1.69 1.68 2j6hA1 LYS 528 HD3 0.01 -0.00 -0.05 -0.04 1.68 1.59 2j6hA1 LYS 528 HE2 0.01 0.00 -0.01 -0.04 2.99 2.95 2j6hA1 LYS 528 HE3 0.01 -0.01 -0.00 -0.04 2.99 2.96 2j6hA1 LEU 529 H 0.04 0.46 -0.12 -0.55 8.37 8.20 2j6hA1 LEU 529 HA 0.05 -0.01 0.41 -0.75 4.35 4.05 2j6hA1 LEU 529 HB2 0.05 -0.10 0.02 -0.04 1.64 1.57 2j6hA1 LEU 529 HB3 0.08 0.13 0.07 -0.04 1.64 1.89 2j6hA1 LEU 529 HG 0.12 0.03 -0.24 -0.04 1.64 1.52 2j6hA1 LEU 529 HD13 0.06 -0.03 -0.08 -0.04 0.93 0.85 2j6hA1 LEU 529 HD23 0.10 0.02 -0.03 -0.04 0.89 0.94 2j6hA1 LYS 530 H 0.05 0.50 -0.23 -0.55 8.42 8.19 2j6hA1 LYS 530 HA 0.15 0.01 0.35 -0.75 4.32 4.08 2j6hA1 LYS 530 HB2 -0.02 0.11 0.16 -0.04 1.87 2.07 2j6hA1 LYS 530 HB3 -0.03 -0.01 -0.04 -0.04 1.79 1.68 2j6hA1 LYS 530 HG2 -0.02 -0.07 -0.02 -0.04 1.46 1.31 2j6hA1 LYS 530 HG3 -0.07 0.11 -0.03 -0.04 1.46 1.43 2j6hA1 LYS 530 HD2 -0.18 -0.02 -0.04 -0.04 1.69 1.41 2j6hA1 LYS 530 HD3 -0.31 -0.01 -0.05 -0.04 1.68 1.27 2j6hA1 LYS 530 HE2 -1.31 -0.06 -0.12 -0.04 2.99 1.46 2j6hA1 LYS 530 HE3 -0.36 -0.11 -0.07 -0.04 2.99 2.41 2j6hA1 SER 531 H 0.02 0.37 -0.31 -0.55 8.46 7.99 2j6hA1 SER 531 HA 0.01 0.06 0.55 -0.75 4.49 4.36 2j6hA1 SER 531 HB2 -0.00 -0.01 0.08 -0.04 3.95 3.98 2j6hA1 SER 531 HB3 0.00 0.07 0.11 -0.04 3.93 4.07 2j6hA1 ASN 532 H 0.03 0.30 -0.26 -0.55 8.53 8.05 2j6hA1 ASN 532 HA 0.00 0.07 0.51 -0.75 4.76 4.58 2j6hA1 ASN 532 HB2 0.04 0.09 0.09 -0.04 2.88 3.06 2j6hA1 ASN 532 HB3 0.02 0.03 -0.03 -0.04 2.79 2.76 2j6hA1 ASN 532 HD21 -0.00 -0.05 -0.06 -0.04 7.03 6.88 2j6hA1 ASN 532 HD22 -0.01 0.02 -0.04 -0.04 7.74 7.67 2j6hA1 ILE 533 H 0.06 0.51 -0.14 -0.55 8.25 8.13 2j6hA1 ILE 533 HA 0.04 0.02 0.40 -0.75 4.18 3.88 2j6hA1 ILE 533 HB 0.13 0.15 0.15 -0.04 1.89 2.27 2j6hA1 ILE 533 HG12 0.06 -0.02 -0.08 -0.04 1.49 1.41 2j6hA1 ILE 533 HG13 0.09 0.08 -0.02 -0.04 1.21 1.32 2j6hA1 ILE 533 HG23 0.10 -0.01 -0.20 -0.04 0.93 0.78 2j6hA1 ILE 533 HD13 0.19 -0.03 -0.16 -0.04 0.88 0.85 2j6hA1 GLU 534 H 0.04 0.58 -0.15 -0.55 8.60 8.51 2j6hA1 GLU 534 HA 0.01 -0.00 0.40 -0.75 4.29 3.95 2j6hA1 GLU 534 HB2 0.01 0.07 0.17 -0.04 2.09 2.29 2j6hA1 GLU 534 HB3 -0.00 -0.02 -0.01 -0.04 1.99 1.92 2j6hA1 GLU 534 HG2 0.02 0.09 0.02 -0.04 2.34 2.43 2j6hA1 GLU 534 HG3 -0.00 -0.03 -0.01 -0.04 2.34 2.26 2j6hA1 GLU 535 H 0.00 0.46 -0.32 -0.55 8.60 8.19 2j6hA1 GLU 535 HA -0.01 -0.00 0.35 -0.75 4.29 3.86 2j6hA1 GLU 535 HB2 -0.02 0.16 0.15 -0.04 2.09 2.34 2j6hA1 GLU 535 HB3 -0.03 -0.05 -0.03 -0.04 1.99 1.84 2j6hA1 GLU 535 HG2 -0.03 -0.04 0.02 -0.04 2.34 2.25 2j6hA1 GLU 535 HG3 -0.02 0.06 0.05 -0.04 2.34 2.39 2j6hA1 VAL 536 H 0.00 0.39 -0.31 -0.55 8.24 7.77 2j6hA1 VAL 536 HA -0.01 0.05 0.46 -0.75 4.13 3.88 2j6hA1 VAL 536 HB 0.01 0.13 0.12 -0.04 2.12 2.34 2j6hA1 VAL 536 HG13 0.02 -0.01 -0.16 -0.04 0.97 0.78 2j6hA1 VAL 536 HG23 0.00 0.02 -0.05 -0.04 0.95 0.87 2j6hA1 ARG 537 H 0.00 0.48 -0.03 -0.55 8.46 8.36 2j6hA1 ARG 537 HA -0.01 0.11 0.35 -0.75 4.34 4.04 2j6hA1 ARG 537 HB2 -0.00 0.04 0.12 -0.04 1.90 2.02 2j6hA1 ARG 537 HB3 -0.02 -0.04 0.01 -0.04 1.80 1.71 2j6hA1 ARG 537 HG2 -0.02 0.11 -0.00 -0.04 1.67 1.71 2j6hA1 ARG 537 HG3 0.00 0.11 0.02 -0.04 1.67 1.76 2j6hA1 ARG 537 HD2 0.01 -0.06 -0.12 -0.04 3.22 3.02 2j6hA1 ARG 537 HD3 0.02 -0.04 -0.12 -0.04 3.22 3.03 2j6hA1 ALA 538 H -0.01 0.59 -0.21 -0.55 8.40 8.23 2j6hA1 ALA 538 HA -0.01 -0.02 0.38 -0.75 4.34 3.93 2j6hA1 ALA 538 HB3 -0.01 0.02 0.06 -0.04 1.41 1.43 2j6hA1 ARG 539 H -0.01 0.34 -0.51 -0.55 8.46 7.73 2j6hA1 ARG 539 HA -0.01 0.12 0.82 -0.75 4.34 4.52 2j6hA1 ARG 539 HB2 -0.01 0.02 0.05 -0.04 1.90 1.93 2j6hA1 ARG 539 HB3 -0.01 0.04 0.10 -0.04 1.80 1.89 2j6hA1 ARG 539 HG2 -0.02 0.22 0.03 -0.04 1.67 1.86 2j6hA1 ARG 539 HG3 -0.02 -0.03 0.01 -0.04 1.67 1.58 2j6hA1 ARG 539 HD2 -0.01 -0.01 -0.01 -0.04 3.22 3.14 2j6hA1 ARG 539 HD3 -0.01 0.06 -0.35 -0.04 3.22 2.88 2j6hA1 GLY 540 H -0.01 0.37 -0.15 -0.55 8.43 8.10 2j6hA1 GLY 540 HA2 -0.01 0.02 0.22 -0.51 4.01 3.74 2j6hA1 GLY 540 HA3 -0.00 0.01 0.41 -0.51 4.01 3.92 2j6hA1 GLY 541 H 0.00 0.25 -0.10 -0.55 8.43 8.04 2j6hA1 GLY 541 HA2 0.02 0.22 0.46 -0.51 4.01 4.20 2j6hA1 GLY 541 HA3 0.02 -0.09 0.16 -0.51 4.01 3.59 2j6hA1 GLN 542 H 0.06 0.56 0.23 -0.55 8.47 8.78 2j6hA1 GLN 542 HA -0.02 0.21 1.03 -0.75 4.36 4.82 2j6hA1 GLN 542 HB2 0.16 -0.05 0.06 -0.04 2.15 2.27 2j6hA1 GLN 542 HB3 0.09 -0.04 -0.01 -0.04 2.02 2.01 2j6hA1 GLN 542 HG2 0.04 0.17 -0.04 -0.04 2.40 2.53 2j6hA1 GLN 542 HG3 0.05 -0.04 0.01 -0.04 2.39 2.37 2j6hA1 GLN 542 HE21 -0.01 -0.17 -0.09 -0.04 6.97 6.66 2j6hA1 GLN 542 HE22 0.00 0.35 -0.20 -0.04 7.69 7.81 2j6hA1 LEU 543 H -0.13 0.67 0.23 -0.55 8.37 8.60 2j6hA1 LEU 543 HA 0.08 0.24 0.69 -0.75 4.35 4.61 2j6hA1 LEU 543 HB2 -0.09 0.14 0.19 -0.04 1.64 1.83 2j6hA1 LEU 543 HB3 -0.08 -0.11 -0.07 -0.04 1.64 1.35 2j6hA1 LEU 543 HG 0.03 0.05 -0.24 -0.04 1.64 1.43 2j6hA1 LEU 543 HD13 -0.01 0.03 -0.17 -0.04 0.93 0.75 2j6hA1 LEU 543 HD23 0.01 -0.03 -0.11 -0.04 0.89 0.73 2j6hA1 TYR 544 H 0.15 0.67 0.32 -0.55 8.29 8.88 2j6hA1 TYR 544 HA -0.03 0.24 0.92 -0.75 4.56 4.95 2j6hA1 TYR 544 HB2 0.09 -0.06 0.11 -0.04 3.06 3.16 2j6hA1 TYR 544 HB3 0.01 -0.05 0.00 -0.04 2.98 2.90 2j6hA1 TYR 544 HD2 0.03 -0.02 -0.14 -0.04 7.15 6.98 2j6hA1 TYR 544 HE2 -0.23 0.04 -0.11 -0.04 6.85 6.51 2j6hA1 VAL 545 H -0.21 0.65 0.25 -0.55 8.24 8.39 2j6hA1 VAL 545 HA -0.05 0.25 0.97 -0.75 4.13 4.55 2j6hA1 VAL 545 HB -0.45 -0.05 0.00 -0.04 2.12 1.58 2j6hA1 VAL 545 HG13 -0.67 -0.02 -0.34 -0.04 0.97 -0.10 2j6hA1 VAL 545 HG23 -0.32 0.01 -0.21 -0.04 0.95 0.38 2j6hA1 PHE 546 H 0.32 0.76 0.33 -0.55 8.34 9.19 2j6hA1 PHE 546 HA 0.03 0.19 0.86 -0.75 4.62 4.95 2j6hA1 PHE 546 HB2 0.14 -0.03 0.31 -0.04 3.15 3.52 2j6hA1 PHE 546 HB3 0.06 -0.02 0.08 -0.04 3.06 3.15 2j6hA1 PHE 546 HD2 0.00 0.07 -0.04 -0.04 7.28 7.27 2j6hA1 PHE 546 HE2 0.01 0.01 -0.12 -0.04 7.38 7.24 2j6hA1 PHE 546 HZ 0.02 0.04 -0.14 -0.04 7.32 7.20 2j6hA1 ALA 547 H 0.03 0.56 0.16 -0.55 8.40 8.61 2j6hA1 ALA 547 HA 0.24 0.18 1.00 -0.75 4.34 5.01 2j6hA1 ALA 547 HB3 -0.01 -0.00 -0.11 -0.04 1.41 1.25 2j6hA1 ASP 548 H 0.31 0.42 0.24 -0.55 8.40 8.82 2j6hA1 ASP 548 HA 0.27 0.23 0.41 -0.75 4.63 4.78 2j6hA1 ASP 548 HB2 0.36 -0.03 0.20 -0.04 2.71 3.19 2j6hA1 ASP 548 HB3 0.21 0.01 0.13 -0.04 2.70 3.02 2j6hA1 GLN 549 H 0.15 0.72 0.32 -0.55 8.47 9.11 2j6hA1 GLN 549 HA 0.10 0.08 0.44 -0.75 4.36 4.23 2j6hA1 GLN 549 HB2 0.08 -0.11 0.10 -0.04 2.15 2.18 2j6hA1 GLN 549 HB3 0.06 0.03 0.02 -0.04 2.02 2.09 2j6hA1 GLN 549 HG2 0.07 0.01 -0.03 -0.04 2.40 2.41 2j6hA1 GLN 549 HG3 0.11 0.36 -0.03 -0.04 2.39 2.78 2j6hA1 GLN 549 HE21 0.06 0.02 -0.01 -0.04 6.97 6.99 2j6hA1 GLN 549 HE22 0.07 0.05 -0.16 -0.04 7.69 7.62 2j6hA1 ASP 550 H 0.07 -0.02 -0.41 -0.55 8.40 7.49 2j6hA1 ASP 550 HA 0.01 0.26 0.75 -0.75 4.63 4.89 2j6hA1 ASP 550 HB2 -0.08 -0.05 0.02 -0.04 2.71 2.55 2j6hA1 ASP 550 HB3 -0.06 0.06 0.10 -0.04 2.70 2.77 2j6hA1 ALA 551 H 0.13 0.54 -0.28 -0.55 8.40 8.24 2j6hA1 ALA 551 HA 0.00 0.04 0.29 -0.75 4.34 3.92 2j6hA1 ALA 551 HB3 0.31 -0.01 -0.01 -0.04 1.41 1.66 2j6hA1 GLY 552 H 0.03 0.11 -0.58 -0.55 8.43 7.44 2j6hA1 GLY 552 HA2 -0.02 0.06 0.18 -0.51 4.01 3.72 2j6hA1 GLY 552 HA3 -0.10 0.06 0.29 -0.51 4.01 3.75 2j6hA1 PHE 553 H 0.21 0.00 -0.21 -0.55 8.34 7.79 2j6hA1 PHE 553 HA -0.01 0.16 0.59 -0.75 4.62 4.60 2j6hA1 PHE 553 HB2 0.01 -0.05 -0.10 -0.04 3.15 2.97 2j6hA1 PHE 553 HB3 -0.02 0.04 -0.19 -0.04 3.06 2.85 2j6hA1 PHE 553 HD2 0.01 -0.01 -0.15 -0.04 7.28 7.09 2j6hA1 PHE 553 HE2 0.02 -0.02 -0.10 -0.04 7.38 7.24 2j6hA1 PHE 553 HZ 0.02 -0.05 -0.14 -0.04 7.32 7.12 2j6hA1 VAL 554 H 0.14 0.22 0.06 -0.55 8.24 8.11 2j6hA1 VAL 554 HA 0.04 0.12 0.89 -0.75 4.13 4.43 2j6hA1 VAL 554 HB 0.01 -0.03 0.06 -0.04 2.12 2.12 2j6hA1 VAL 554 HG13 -0.01 0.05 -0.09 -0.04 0.97 0.88 2j6hA1 VAL 554 HG23 -0.00 0.02 -0.23 -0.04 0.95 0.70 2j6hA1 SER 555 H 0.00 0.08 0.09 -0.55 8.46 8.09 2j6hA1 SER 555 HA -0.07 0.19 0.53 -0.75 4.49 4.39 2j6hA1 SER 555 HB2 -0.02 -0.04 0.13 -0.04 3.95 3.98 2j6hA1 SER 555 HB3 -0.04 0.07 0.08 -0.04 3.93 3.99 2j6hA1 SER 556 H -0.18 0.70 0.39 -0.55 8.46 8.82 2j6hA1 SER 556 HA -0.08 0.08 0.21 -0.75 4.49 3.96 2j6hA1 SER 556 HB2 -0.07 -0.16 0.24 -0.04 3.95 3.92 2j6hA1 SER 556 HB3 -0.05 0.21 0.16 -0.04 3.93 4.20 2j6hA1 ASP 557 H -0.09 0.16 0.15 -0.55 8.40 8.08 2j6hA1 ASP 557 HA -0.10 0.11 0.42 -0.75 4.63 4.31 2j6hA1 ASP 557 HB2 -0.05 0.01 0.10 -0.04 2.71 2.73 2j6hA1 ASP 557 HB3 -0.04 0.07 0.10 -0.04 2.70 2.79 2j6hA1 ASN 558 H -0.16 0.00 -0.25 -0.55 8.53 7.59 2j6hA1 ASN 558 HA -0.16 0.30 0.94 -0.75 4.76 5.09 2j6hA1 ASN 558 HB2 -0.07 0.24 0.20 -0.04 2.88 3.21 2j6hA1 ASN 558 HB3 -0.06 0.00 -0.04 -0.04 2.79 2.65 2j6hA1 ASN 558 HD21 -0.04 -0.05 -0.04 -0.04 7.03 6.86 2j6hA1 ASN 558 HD22 -0.04 0.13 0.01 -0.04 7.74 7.80 2j6hA1 MET 559 H -0.54 0.42 -0.40 -0.55 8.47 7.40 2j6hA1 MET 559 HA -0.28 0.15 0.83 -0.75 4.52 4.46 2j6hA1 MET 559 HB2 -0.11 0.07 -0.28 -0.04 2.15 1.78 2j6hA1 MET 559 HB3 -0.15 -0.11 0.01 -0.04 2.03 1.74 2j6hA1 MET 559 HG2 -0.01 0.21 -0.07 -0.04 2.63 2.72 2j6hA1 MET 559 HG3 -0.11 -0.07 -0.38 -0.04 2.56 1.96 2j6hA1 MET 559 HE3 0.14 -0.01 -0.09 -0.04 2.10 2.09 2j6hA1 HIS 560 H -0.37 0.71 0.22 -0.55 8.41 8.42 2j6hA1 HIS 560 HA -0.17 0.07 0.75 -0.75 4.63 4.53 2j6hA1 HIS 560 HB2 -0.60 0.01 0.24 -0.04 3.26 2.87 2j6hA1 HIS 560 HB3 -0.20 -0.01 0.03 -0.04 3.20 2.98 2j6hA1 HIS 560 HD2 -1.13 0.15 -0.14 -0.04 6.97 5.81 2j6hA1 HIS 560 HE1 -0.09 -0.01 -0.02 -0.04 7.75 7.59 2j6hA1 ILE 561 H -0.06 0.16 0.17 -0.55 8.25 7.97 2j6hA1 ILE 561 HA -0.18 0.23 0.94 -0.75 4.18 4.41 2j6hA1 ILE 561 HB -0.03 -0.03 0.02 -0.04 1.89 1.80 2j6hA1 ILE 561 HG12 -0.05 0.03 -0.32 -0.04 1.49 1.10 2j6hA1 ILE 561 HG13 0.03 -0.01 -0.42 -0.04 1.21 0.77 2j6hA1 ILE 561 HG23 -0.03 -0.02 -0.32 -0.04 0.93 0.52 2j6hA1 ILE 561 HD13 -0.14 0.02 -0.39 -0.04 0.88 0.32 2j6hA1 ILE 562 H -0.25 0.66 0.32 -0.55 8.25 8.42 2j6hA1 ILE 562 HA -0.07 0.14 0.75 -0.75 4.18 4.24 2j6hA1 ILE 562 HB -0.44 -0.07 0.13 -0.04 1.89 1.47 2j6hA1 ILE 562 HG12 -0.20 -0.02 -0.14 -0.04 1.49 1.09 2j6hA1 ILE 562 HG13 -0.13 0.10 -0.10 -0.04 1.21 1.04 2j6hA1 ILE 562 HG23 0.06 0.00 -0.15 -0.04 0.93 0.80 2j6hA1 ILE 562 HD13 -0.62 -0.06 -0.40 -0.04 0.88 -0.24 2j6hA1 GLU 563 H 0.01 0.16 0.04 -0.55 8.60 8.26 2j6hA1 GLU 563 HA 0.07 0.25 0.55 -0.75 4.29 4.41 2j6hA1 GLU 563 HB2 0.05 -0.02 0.07 -0.04 2.09 2.15 2j6hA1 GLU 563 HB3 0.07 -0.01 0.00 -0.04 1.99 2.01 2j6hA1 GLU 563 HG2 0.03 -0.02 -0.13 -0.04 2.34 2.19 2j6hA1 GLU 563 HG3 0.03 0.01 0.02 -0.04 2.34 2.35 2j6hA1 MET 564 H 0.14 0.71 0.29 -0.55 8.47 9.07 2j6hA1 MET 564 HA 0.09 0.20 0.72 -0.75 4.52 4.78 2j6hA1 MET 564 HB2 0.22 -0.17 -0.27 -0.04 2.15 1.89 2j6hA1 MET 564 HB3 0.10 0.05 -0.07 -0.04 2.03 2.07 2j6hA1 MET 564 HG2 0.13 0.13 -0.35 -0.04 2.63 2.51 2j6hA1 MET 564 HG3 0.15 -0.04 -0.46 -0.04 2.56 2.17 2j6hA1 MET 564 HE3 0.10 0.01 -0.28 -0.04 2.10 1.89 2j6hA1 PRO 565 HA 0.12 0.03 0.52 -0.51 4.44 4.60 2j6hA1 PRO 565 HB2 0.09 0.02 -0.11 -0.04 2.28 2.24 2j6hA1 PRO 565 HB3 0.08 0.06 0.06 -0.04 2.02 2.18 2j6hA1 PRO 565 HG2 0.22 0.06 -0.02 -0.04 2.03 2.25 2j6hA1 PRO 565 HG3 0.12 0.09 0.02 -0.04 2.03 2.21 2j6hA1 PRO 565 HD2 0.39 0.06 0.15 -0.04 3.68 4.24 2j6hA1 PRO 565 HD3 0.13 0.27 0.22 -0.04 3.65 4.22 2j6hA1 HIS 566 H 0.16 0.12 0.16 -0.55 8.41 8.31 2j6hA1 HIS 566 HA 0.06 -0.02 0.61 -0.75 4.63 4.53 2j6hA1 HIS 566 HB2 0.04 -0.05 0.15 -0.04 3.26 3.37 2j6hA1 HIS 566 HB3 0.01 0.03 0.12 -0.04 3.20 3.32 2j6hA1 HIS 566 HD2 0.01 0.01 -0.06 -0.04 6.97 6.88 2j6hA1 HIS 566 HE1 0.04 0.03 0.07 -0.04 7.75 7.85 2j6hA1 VAL 567 H -0.16 0.09 0.15 -0.55 8.24 7.77 2j6hA1 VAL 567 HA -0.38 0.25 0.92 -0.75 4.13 4.17 2j6hA1 VAL 567 HB -0.43 -0.01 -0.04 -0.04 2.12 1.59 2j6hA1 VAL 567 HG13 -1.77 0.04 -0.16 -0.04 0.97 -0.96 2j6hA1 VAL 567 HG23 -0.10 -0.01 -0.10 -0.04 0.95 0.70 2j6hA1 GLU 568 H -0.21 0.17 0.07 -0.55 8.60 8.08 2j6hA1 GLU 568 HA -0.15 0.09 0.49 -0.75 4.29 3.97 2j6hA1 GLU 568 HB2 -0.07 -0.03 0.13 -0.04 2.09 2.07 2j6hA1 GLU 568 HB3 -0.05 -0.04 0.05 -0.04 1.99 1.91 2j6hA1 GLU 568 HG2 0.09 0.08 -0.02 -0.04 2.34 2.44 2j6hA1 GLU 568 HG3 -0.03 0.04 0.03 -0.04 2.34 2.34 2j6hA1 GLU 569 H -0.04 0.19 0.20 -0.55 8.60 8.40 2j6hA1 GLU 569 HA 0.04 0.07 0.33 -0.75 4.29 3.99 2j6hA1 GLU 569 HB2 0.05 0.08 0.15 -0.04 2.09 2.33 2j6hA1 GLU 569 HB3 0.03 0.02 0.11 -0.04 1.99 2.11 2j6hA1 GLU 569 HG2 0.06 0.01 0.01 -0.04 2.34 2.39 2j6hA1 GLU 569 HG3 0.09 0.02 -0.13 -0.04 2.34 2.28 2j6hA1 VAL 570 H -0.02 0.09 -0.18 -0.55 8.24 7.58 2j6hA1 VAL 570 HA 0.04 0.09 0.33 -0.75 4.13 3.84 2j6hA1 VAL 570 HB -0.08 -0.00 0.04 -0.04 2.12 2.03 2j6hA1 VAL 570 HG13 -0.12 0.02 -0.08 -0.04 0.97 0.75 2j6hA1 VAL 570 HG23 -0.35 0.02 -0.00 -0.04 0.95 0.57 2j6hA1 ILE 571 H -0.02 0.15 -0.32 -0.55 8.25 7.51 2j6hA1 ILE 571 HA 0.08 0.24 0.90 -0.75 4.18 4.65 2j6hA1 ILE 571 HB 0.03 -0.06 0.10 -0.04 1.89 1.92 2j6hA1 ILE 571 HG12 -0.06 0.07 -0.07 -0.04 1.49 1.39 2j6hA1 ILE 571 HG13 -0.05 0.00 -0.01 -0.04 1.21 1.12 2j6hA1 ILE 571 HG23 -0.12 0.02 -0.21 -0.04 0.93 0.58 2j6hA1 ILE 571 HD13 -0.08 -0.02 -0.10 -0.04 0.88 0.64 2j6hA1 ALA 572 H 0.12 0.37 -0.33 -0.55 8.40 8.02 2j6hA1 ALA 572 HA 0.30 -0.01 0.31 -0.75 4.34 4.18 2j6hA1 ALA 572 HB3 0.17 0.02 0.01 -0.04 1.41 1.57 2j6hA1 PRO 573 HA 0.14 0.03 0.34 -0.51 4.44 4.44 2j6hA1 PRO 573 HB2 0.07 0.03 -0.07 -0.04 2.28 2.27 2j6hA1 PRO 573 HB3 -0.05 0.13 0.02 -0.04 2.02 2.08 2j6hA1 PRO 573 HG2 0.11 0.09 -0.01 -0.04 2.03 2.18 2j6hA1 PRO 573 HG3 0.03 -0.07 -0.12 -0.04 2.03 1.83 2j6hA1 PRO 573 HD2 0.44 0.20 -0.22 -0.04 3.68 4.06 2j6hA1 PRO 573 HD3 0.23 0.19 -0.01 -0.04 3.65 4.01 2j6hA1 ILE 574 H 0.25 0.29 -0.37 -0.55 8.25 7.87 2j6hA1 ILE 574 HA 0.12 0.04 0.45 -0.75 4.18 4.04 2j6hA1 ILE 574 HB 0.14 0.10 0.09 -0.04 1.89 2.17 2j6hA1 ILE 574 HG12 0.18 -0.04 -0.07 -0.04 1.49 1.52 2j6hA1 ILE 574 HG13 0.31 -0.01 0.00 -0.04 1.21 1.47 2j6hA1 ILE 574 HG23 0.04 -0.01 -0.05 -0.04 0.93 0.87 2j6hA1 ILE 574 HD13 0.09 0.03 -0.09 -0.04 0.88 0.87 2j6hA1 PHE 575 H 0.32 0.49 -0.05 -0.55 8.34 8.55 2j6hA1 PHE 575 HA 0.00 0.01 0.36 -0.75 4.62 4.23 2j6hA1 PHE 575 HB2 0.04 0.00 0.02 -0.04 3.15 3.17 2j6hA1 PHE 575 HB3 0.15 0.10 0.15 -0.04 3.06 3.42 2j6hA1 PHE 575 HD2 -0.17 -0.04 -0.13 -0.04 7.28 6.90 2j6hA1 PHE 575 HE2 -0.16 0.14 -0.11 -0.04 7.38 7.20 2j6hA1 PHE 575 HZ -0.07 0.02 -0.03 -0.04 7.32 7.20 2j6hA1 TYR 576 H 0.43 0.60 -0.17 -0.55 8.29 8.61 2j6hA1 TYR 576 HA -0.17 0.07 0.30 -0.75 4.56 4.00 2j6hA1 TYR 576 HB2 0.09 0.07 0.00 -0.04 3.06 3.18 2j6hA1 TYR 576 HB3 0.01 -0.03 0.03 -0.04 2.98 2.94 2j6hA1 TYR 576 HD2 0.20 0.13 0.03 -0.04 7.15 7.48 2j6hA1 TYR 576 HE2 0.24 0.11 -0.10 -0.04 6.85 7.06 2j6hA1 THR 577 H 0.10 0.35 -0.71 -0.55 8.28 7.47 2j6hA1 THR 577 HA 0.01 0.05 0.61 -0.75 4.39 4.30 2j6hA1 THR 577 HB 0.13 0.23 0.11 -0.04 4.32 4.75 2j6hA1 THR 577 HG23 0.16 -0.05 -0.11 -0.04 1.22 1.19 2j6hA1 VAL 578 H -0.12 0.43 -0.12 -0.55 8.24 7.88 2j6hA1 VAL 578 HA -0.10 -0.02 0.25 -0.75 4.13 3.51 2j6hA1 VAL 578 HB -0.26 0.16 0.15 -0.04 2.12 2.13 2j6hA1 VAL 578 HG13 -0.18 -0.01 -0.15 -0.04 0.97 0.59 2j6hA1 VAL 578 HG23 -0.08 0.02 0.05 -0.04 0.95 0.90 2j6hA1 PRO 579 HA -0.11 0.03 0.29 -0.51 4.44 4.15 2j6hA1 PRO 579 HB2 -0.52 0.04 -0.08 -0.04 2.28 1.68 2j6hA1 PRO 579 HB3 -0.10 0.05 0.02 -0.04 2.02 1.95 2j6hA1 PRO 579 HG2 -0.40 0.11 -0.06 -0.04 2.03 1.63 2j6hA1 PRO 579 HG3 -0.32 0.03 -0.00 -0.04 2.03 1.69 2j6hA1 PRO 579 HD2 -0.28 0.02 -0.29 -0.04 3.68 3.09 2j6hA1 PRO 579 HD3 -0.39 0.14 0.09 -0.04 3.65 3.44 2j6hA1 LEU 580 H -0.27 0.30 -0.46 -0.55 8.37 7.39 2j6hA1 LEU 580 HA -0.22 0.03 0.41 -0.75 4.35 3.81 2j6hA1 LEU 580 HB2 -0.11 0.20 0.09 -0.04 1.64 1.78 2j6hA1 LEU 580 HB3 -0.03 -0.06 0.04 -0.04 1.64 1.55 2j6hA1 LEU 580 HG -0.25 0.15 0.04 -0.04 1.64 1.54 2j6hA1 LEU 580 HD13 0.06 -0.04 -0.05 -0.04 0.93 0.86 2j6hA1 LEU 580 HD23 -0.20 -0.02 -0.09 -0.04 0.89 0.54 2j6hA1 GLN 581 H -0.11 0.46 -0.23 -0.55 8.47 8.04 2j6hA1 GLN 581 HA -0.08 0.04 0.44 -0.75 4.36 4.01 2j6hA1 GLN 581 HB2 -0.09 0.17 0.17 -0.04 2.15 2.35 2j6hA1 GLN 581 HB3 -0.08 -0.08 -0.01 -0.04 2.02 1.80 2j6hA1 GLN 581 HG2 -0.09 -0.02 -0.01 -0.04 2.40 2.25 2j6hA1 GLN 581 HG3 -0.08 0.23 -0.03 -0.04 2.39 2.46 2j6hA1 GLN 581 HE21 0.04 -0.04 -0.11 -0.04 6.97 6.82 2j6hA1 GLN 581 HE22 0.02 0.02 -0.02 -0.04 7.69 7.68 2j6hA1 LEU 582 H -0.05 0.49 -0.07 -0.55 8.37 8.19 2j6hA1 LEU 582 HA 0.08 -0.02 0.46 -0.75 4.35 4.12 2j6hA1 LEU 582 HB2 0.05 0.16 0.15 -0.04 1.64 1.95 2j6hA1 LEU 582 HB3 0.24 -0.03 -0.02 -0.04 1.64 1.79 2j6hA1 LEU 582 HG -0.07 0.02 -0.02 -0.04 1.64 1.53 2j6hA1 LEU 582 HD13 -0.06 -0.02 -0.14 -0.04 0.93 0.67 2j6hA1 LEU 582 HD23 0.06 -0.02 -0.02 -0.04 0.89 0.87 2j6hA1 LEU 583 H 0.01 0.61 -0.13 -0.55 8.37 8.32 2j6hA1 LEU 583 HA 0.11 0.04 0.26 -0.75 4.35 4.01 2j6hA1 LEU 583 HB2 0.09 0.02 0.03 -0.04 1.64 1.73 2j6hA1 LEU 583 HB3 -0.04 0.06 0.10 -0.04 1.64 1.72 2j6hA1 LEU 583 HG -0.23 0.01 -0.29 -0.04 1.64 1.09 2j6hA1 LEU 583 HD13 -0.05 0.00 -0.09 -0.04 0.93 0.75 2j6hA1 LEU 583 HD23 -0.15 -0.00 -0.10 -0.04 0.89 0.59 2j6hA1 ALA 584 H -0.03 0.48 -0.26 -0.55 8.40 8.04 2j6hA1 ALA 584 HA -0.08 0.04 0.32 -0.75 4.34 3.85 2j6hA1 ALA 584 HB3 -0.06 0.04 -0.07 -0.04 1.41 1.28 2j6hA1 TYR 585 H 0.07 0.53 -0.20 -0.55 8.29 8.14 2j6hA1 TYR 585 HA -0.16 -0.03 0.39 -0.75 4.56 4.00 2j6hA1 TYR 585 HB2 -0.14 -0.01 0.08 -0.04 3.06 2.95 2j6hA1 TYR 585 HB3 -0.22 0.13 0.18 -0.04 2.98 3.03 2j6hA1 TYR 585 HD2 -0.44 0.04 -0.03 -0.04 7.15 6.68 2j6hA1 TYR 585 HE2 -0.27 -0.03 -0.04 -0.04 6.85 6.47 2j6hA1 HIS 586 H -0.03 0.70 -0.13 -0.55 8.41 8.41 2j6hA1 HIS 586 HA -0.29 -0.05 0.36 -0.75 4.63 3.90 2j6hA1 HIS 586 HB2 0.00 0.11 0.05 -0.04 3.26 3.38 2j6hA1 HIS 586 HB3 -0.03 0.01 0.01 -0.04 3.20 3.15 2j6hA1 HIS 586 HD2 0.12 0.02 -0.17 -0.04 6.97 6.90 2j6hA1 HIS 586 HE1 0.17 -0.02 -0.03 -0.04 7.75 7.82 2j6hA1 VAL 587 H -0.05 0.67 -0.11 -0.55 8.24 8.20 2j6hA1 VAL 587 HA -0.02 0.09 0.56 -0.75 4.13 4.00 2j6hA1 VAL 587 HB -0.12 0.02 0.08 -0.04 2.12 2.06 2j6hA1 VAL 587 HG13 -0.04 0.00 -0.05 -0.04 0.97 0.85 2j6hA1 VAL 587 HG23 -0.20 0.11 0.01 -0.04 0.95 0.83 2j6hA1 ALA 588 H -0.16 0.54 -0.13 -0.55 8.40 8.10 2j6hA1 ALA 588 HA -0.19 0.08 0.46 -0.75 4.34 3.94 2j6hA1 ALA 588 HB3 -0.21 0.01 -0.01 -0.04 1.41 1.16 2j6hA1 LEU 589 H -0.32 0.48 -0.09 -0.55 8.37 7.89 2j6hA1 LEU 589 HA -0.17 -0.02 0.45 -0.75 4.35 3.85 2j6hA1 LEU 589 HB2 -0.35 0.08 0.18 -0.04 1.64 1.50 2j6hA1 LEU 589 HB3 -0.11 0.06 -0.03 -0.04 1.64 1.51 2j6hA1 LEU 589 HG -0.09 0.01 0.04 -0.04 1.64 1.56 2j6hA1 LEU 589 HD13 -0.38 -0.02 -0.00 -0.04 0.93 0.49 2j6hA1 LEU 589 HD23 -0.23 -0.02 -0.03 -0.04 0.89 0.56 2j6hA1 ILE 590 H -0.08 0.36 -0.31 -0.55 8.25 7.67 2j6hA1 ILE 590 HA -0.03 -0.02 0.44 -0.75 4.18 3.82 2j6hA1 ILE 590 HB -0.02 0.18 0.18 -0.04 1.89 2.18 2j6hA1 ILE 590 HG12 -0.00 0.27 0.09 -0.04 1.49 1.81 2j6hA1 ILE 590 HG13 0.02 -0.03 -0.13 -0.04 1.21 1.03 2j6hA1 ILE 590 HG23 -0.01 -0.01 -0.07 -0.04 0.93 0.81 2j6hA1 ILE 590 HD13 -0.00 -0.03 -0.01 -0.04 0.88 0.79 2j6hA1 LYS 591 H -0.08 0.45 -0.07 -0.55 8.42 8.16 2j6hA1 LYS 591 HA -0.03 0.07 0.43 -0.75 4.32 4.04 2j6hA1 LYS 591 HB2 -0.14 -0.06 0.16 -0.04 1.87 1.80 2j6hA1 LYS 591 HB3 -0.07 -0.05 0.14 -0.04 1.79 1.78 2j6hA1 LYS 591 HG2 -0.06 0.09 0.12 -0.04 1.46 1.57 2j6hA1 LYS 591 HG3 -0.09 -0.01 0.08 -0.04 1.46 1.40 2j6hA1 LYS 591 HD2 -0.02 -0.07 0.08 -0.04 1.69 1.64 2j6hA1 LYS 591 HD3 -0.03 0.01 0.07 -0.04 1.68 1.69 2j6hA1 LYS 591 HE2 -0.03 0.09 0.10 -0.04 2.99 3.11 2j6hA1 LYS 591 HE3 -0.04 -0.10 0.03 -0.04 2.99 2.83 2j6hA1 GLY 592 H -0.07 0.26 -0.50 -0.55 8.43 7.58 2j6hA1 GLY 592 HA2 -0.03 -0.02 0.32 -0.51 4.01 3.78 2j6hA1 GLY 592 HA3 -0.01 0.02 0.50 -0.51 4.01 4.01 2j6hA1 THR 593 H -0.12 0.32 0.01 -0.55 8.28 7.94 2j6hA1 THR 593 HA -0.01 0.15 0.62 -0.75 4.39 4.40 2j6hA1 THR 593 HB -0.26 -0.14 0.06 -0.04 4.32 3.93 2j6hA1 THR 593 HG23 -0.41 0.01 -0.12 -0.04 1.22 0.66 2j6hA1 ASP 594 H 0.08 0.15 0.08 -0.55 8.40 8.17 2j6hA1 ASP 594 HA 0.04 0.08 0.53 -0.75 4.63 4.53 2j6hA1 ASP 594 HB2 0.07 0.06 0.09 -0.04 2.71 2.89 2j6hA1 ASP 594 HB3 0.09 0.10 0.07 -0.04 2.70 2.92 2j6hA1 VAL 595 H -0.04 0.24 0.16 -0.55 8.24 8.05 2j6hA1 VAL 595 HA -0.07 0.20 0.20 -0.75 4.13 3.72 2j6hA1 VAL 595 HB -0.33 -0.13 0.12 -0.04 2.12 1.73 2j6hA1 VAL 595 HG13 0.03 -0.03 -0.07 -0.04 0.97 0.86 2j6hA1 VAL 595 HG23 -0.34 0.08 -0.01 -0.04 0.95 0.64 2j6hA1 ASP 596 H 0.08 0.10 -0.13 -0.55 8.40 7.90 2j6hA1 ASP 596 HA 0.06 -0.04 0.46 -0.75 4.63 4.37 2j6hA1 ASP 596 HB2 0.13 0.10 0.09 -0.04 2.71 3.00 2j6hA1 ASP 596 HB3 0.11 0.08 0.02 -0.04 2.70 2.87 2j6hA1 GLN 597 H -0.00 0.12 -0.44 -0.55 8.47 7.60 2j6hA1 GLN 597 HA -0.05 0.14 0.78 -0.75 4.36 4.47 2j6hA1 GLN 597 HB2 -0.30 -0.05 0.08 -0.04 2.15 1.83 2j6hA1 GLN 597 HB3 -1.35 0.07 0.08 -0.04 2.02 0.78 2j6hA1 GLN 597 HG2 -0.45 0.11 -0.14 -0.04 2.40 1.88 2j6hA1 GLN 597 HG3 -0.20 -0.18 -0.37 -0.04 2.39 1.60 2j6hA1 GLN 597 HE21 -0.16 -0.06 0.00 -0.04 6.97 6.70 2j6hA1 GLN 597 HE22 -0.29 0.06 -0.05 -0.04 7.69 7.38 2j6hA1 PRO 598 HA 0.22 0.05 0.49 -0.51 4.44 4.69 2j6hA1 PRO 598 HB2 0.24 0.18 0.07 -0.04 2.28 2.73 2j6hA1 PRO 598 HB3 0.22 0.11 0.18 -0.04 2.02 2.48 2j6hA1 PRO 598 HG2 0.16 -0.06 -0.03 -0.04 2.03 2.05 2j6hA1 PRO 598 HG3 0.11 -0.01 -0.06 -0.04 2.03 2.03 2j6hA1 PRO 598 HD2 0.15 0.03 0.00 -0.04 3.68 3.82 2j6hA1 PRO 598 HD3 0.08 0.23 -0.31 -0.04 3.65 3.60 2j6hA1 ARG 599 H 0.25 0.11 0.22 -0.55 8.46 8.48 2j6hA1 ARG 599 HA 0.15 0.04 0.54 -0.75 4.34 4.32 2j6hA1 ARG 599 HB2 -0.02 -0.03 0.14 -0.04 1.90 1.96 2j6hA1 ARG 599 HB3 0.04 0.01 0.19 -0.04 1.80 2.00 2j6hA1 ARG 599 HG2 -0.56 0.01 0.10 -0.04 1.67 1.17 2j6hA1 ARG 599 HG3 -0.24 0.01 -0.25 -0.04 1.67 1.15 2j6hA1 ARG 599 HD2 -0.18 -0.03 0.01 -0.04 3.22 2.98 2j6hA1 ARG 599 HD3 -0.30 0.02 0.04 -0.04 3.22 2.94 2j6hA1 ASN 600 H 0.06 0.10 0.21 -0.55 8.53 8.35 2j6hA1 ASN 600 HA 0.03 -0.02 0.40 -0.75 4.76 4.41 2j6hA1 ASN 600 HB2 0.01 0.22 0.06 -0.04 2.88 3.13 2j6hA1 ASN 600 HB3 0.04 -0.03 0.15 -0.04 2.79 2.91 2j6hA1 ASN 600 HD21 -0.10 -0.00 -0.04 -0.04 7.03 6.85 2j6hA1 ASN 600 HD22 -0.08 0.04 -0.05 -0.04 7.74 7.60 2j6hA1 LEU 601 H 0.13 0.31 -0.51 -0.55 8.37 7.76 2j6hA1 LEU 601 HA 0.16 0.15 0.81 -0.75 4.35 4.71 2j6hA1 LEU 601 HB2 0.13 0.10 -0.11 -0.04 1.64 1.72 2j6hA1 LEU 601 HB3 -0.00 -0.09 0.07 -0.04 1.64 1.58 2j6hA1 LEU 601 HG 0.08 0.29 -0.13 -0.04 1.64 1.83 2j6hA1 LEU 601 HD13 0.05 -0.02 -0.04 -0.04 0.93 0.89 2j6hA1 LEU 601 HD23 0.05 -0.00 -0.12 -0.04 0.89 0.77 2j6hA1 ALA 602 H -0.26 0.32 0.17 -0.55 8.40 8.09 2j6hA1 ALA 602 HA -0.23 0.08 0.49 -0.75 4.34 3.93 2j6hA1 ALA 602 HB3 -0.48 0.02 -0.16 -0.04 1.41 0.75 2j6hA1 LYS 603 H 0.05 0.22 0.14 -0.55 8.42 8.28 2j6hA1 LYS 603 HA 0.02 0.03 0.45 -0.75 4.32 4.07 2j6hA1 LYS 603 HB2 0.10 0.07 0.12 -0.04 1.87 2.11 2j6hA1 LYS 603 HB3 0.14 0.06 0.26 -0.04 1.79 2.21 2j6hA1 LYS 603 HG2 0.07 0.03 -0.01 -0.04 1.46 1.51 2j6hA1 LYS 603 HG3 0.07 -0.14 -0.20 -0.04 1.46 1.15 2j6hA1 LYS 603 HD2 0.01 -0.01 0.12 -0.04 1.69 1.77 2j6hA1 LYS 603 HD3 0.02 0.18 -0.34 -0.04 1.68 1.50 2j6hA1 LYS 603 HE2 -0.02 0.24 -0.12 -0.04 2.99 3.06 2j6hA1 LYS 603 HE3 -0.00 -0.23 -0.03 -0.04 2.99 2.68 2j6hA1 SER 604 H -0.10 0.65 0.02 -0.55 8.46 8.48 2j6hA1 SER 604 HA -0.08 0.02 0.94 -0.75 4.49 4.62 2j6hA1 SER 604 HB2 0.17 -0.08 -0.12 -0.04 3.95 3.88 2j6hA1 SER 604 HB3 0.05 0.15 -0.07 -0.04 3.93 4.02 2j6hA1 VAL 605 H -0.19 0.02 0.12 -0.55 8.24 7.64 2j6hA1 VAL 605 HA -0.54 0.27 0.75 -0.75 4.13 3.85 2j6hA1 VAL 605 HB -0.25 -0.19 0.25 -0.04 2.12 1.88 2j6hA1 VAL 605 HG13 -0.58 0.04 0.03 -0.04 0.97 0.41 2j6hA1 VAL 605 HG23 -0.59 0.03 0.01 -0.04 0.95 0.36 2j6hA1 THR 606 H -0.16 0.36 0.25 -0.55 8.28 8.18 2j6hA1 THR 606 HA -0.06 0.09 0.71 -0.75 4.39 4.38 2j6hA1 THR 606 HB -0.04 -0.02 0.24 -0.04 4.32 4.47 2j6hA1 THR 606 HG23 -0.11 0.05 -0.11 -0.04 1.22 1.00 2j6hA1 VAL 607 H -0.02 0.16 -0.09 -0.55 8.24 7.75 2j6hA1 VAL 607 HA 0.05 0.19 0.84 -0.75 4.13 4.45 2j6hA1 VAL 607 HB 0.14 -0.07 0.04 -0.04 2.12 2.19 2j6hA1 VAL 607 HG13 0.08 0.03 -0.16 -0.04 0.97 0.88 2j6hA1 VAL 607 HG23 0.36 0.02 -0.16 -0.04 0.95 1.13 2j6hA1 GLU 608 H 0.10 0.14 0.01 -0.55 8.60 8.31 2j6hA1 GLU 608 HA 0.08 0.13 0.55 -0.75 4.29 4.30 2j6hA1 GLU 608 HB2 0.10 0.05 0.06 -0.04 2.09 2.27 2j6hA1 GLU 608 HB3 0.12 0.06 0.03 -0.04 1.99 2.16 2j6hA1 GLU 608 HG2 0.09 -0.06 -0.26 -0.04 2.34 2.06 2j6hA1 GLU 608 HG3 0.08 -0.05 -0.15 -0.04 2.34 2.19