============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 14 0.900 -1.626 -37.757 -2.365 -99.200 -91.000 TYR 15 0.840 0.479 -38.686 3.988 -99.200 -91.000 HIS 23 0.900 17.056 -39.325 -3.921 -99.200 -91.000 HIS 26 0.900 22.287 -40.512 4.522 -99.200 -91.000 HIS 46 0.900 15.478 -46.022 13.496 -99.200 -91.000 TRP 67 1.040 8.752 -36.281 14.357 -99.200 -91.000 TRP6 67 1.020 9.421 -35.971 12.112 -99.200 -91.000 PHE 68 1.000 2.235 -40.856 15.716 -99.200 -91.000 TYR 72 0.840 -6.876 -37.732 11.273 -99.200 -91.000 TYR 87 0.840 5.711 -40.682 20.965 -99.200 -91.000 PHE 96 1.000 -5.647 -28.634 9.251 -99.200 -91.000 TYR 103 0.840 -18.011 -27.207 7.708 -99.200 -91.000 PHE 105 1.000 -17.692 -16.613 5.250 -99.200 -91.000 HIS 107 0.900 -22.219 -26.899 5.908 -99.200 -91.000 TYR 118 0.840 -34.953 -20.935 -3.584 -99.200 -91.000 TRP 127 1.040 -40.222 -19.129 -11.267 -99.200 -91.000 TRP6 127 1.020 -38.256 -19.311 -12.581 -99.200 -91.000 HIS 130 0.900 -40.139 -19.345 -0.795 -99.200 -91.000 TYR 132 0.840 -31.843 -13.349 -1.777 -99.200 -91.000 HIS 151 0.900 -8.380 -18.154 4.598 -99.200 -91.000 HIS 154 0.900 -7.371 -11.765 6.819 -99.200 -91.000 HIS 158 0.900 -14.258 -11.198 -0.895 -99.200 -91.000 PHE 159 1.000 -18.377 -13.942 0.729 -99.200 -91.000 PHE 176 1.000 -10.384 -12.562 14.370 -99.200 -91.000 TYR 180 0.840 -14.692 -6.524 21.826 -99.200 -91.000 HIS 206 0.900 -16.374 -30.051 29.602 -99.200 -91.000 HIS 207 0.900 -20.510 -29.458 28.584 -99.200 -91.000 PHE 209 1.000 -20.990 -21.261 22.000 -99.200 -91.000 PHE 214 1.000 -21.717 -18.588 27.082 -99.200 -91.000 HIS 216 0.900 -32.141 -17.750 28.121 -99.200 -91.000 PHE 224 1.000 -21.180 -22.230 10.270 -99.200 -91.000 PHE 254 1.000 -21.506 -33.880 15.631 -99.200 -91.000 TRP 266 1.040 -27.519 -39.133 13.854 -99.200 -91.000 TRP6 266 1.020 -26.042 -38.885 12.018 -99.200 -91.000 HIS 276 0.900 -13.448 -34.184 13.660 -99.200 -91.000 TYR 280 0.840 -8.541 -35.909 4.091 -99.200 -91.000 PHE 282 1.000 -7.618 -31.928 0.871 -99.200 -91.000 PHE 290 1.000 8.203 -37.288 7.422 -99.200 -91.000 TYR 294 0.840 14.305 -36.949 7.311 -99.200 -91.000 PHE 297 1.000 14.196 -37.154 14.202 -99.200 -91.000 PHE 309 1.000 3.670 -37.084 24.665 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hg7A1 SER 4 HA 0.06 -0.06 0.09 -0.75 4.49 3.84 3hg7A1 SER 4 HB2 0.05 -0.01 0.01 -0.04 3.95 3.95 3hg7A1 SER 4 HB3 0.06 -0.03 -0.02 -0.04 3.93 3.90 3hg7A1 GLN 5 H 0.06 0.11 0.03 -0.55 8.47 8.12 3hg7A1 GLN 5 HA 0.03 -0.05 0.42 -0.75 4.36 4.01 3hg7A1 GLN 5 HB2 0.08 -0.12 0.00 -0.04 2.15 2.06 3hg7A1 GLN 5 HB3 0.12 0.25 0.33 -0.04 2.02 2.68 3hg7A1 GLN 5 HG2 -0.03 -0.00 -0.04 -0.04 2.40 2.28 3hg7A1 GLN 5 HG3 -0.04 -0.07 0.03 -0.04 2.39 2.27 3hg7A1 GLN 5 HE21 -0.10 0.02 -0.00 -0.04 6.97 6.85 3hg7A1 GLN 5 HE22 -0.09 -0.05 -0.00 -0.04 7.69 7.51 3hg7A1 ARG 6 H 0.12 0.69 0.34 -0.55 8.46 9.06 3hg7A1 ARG 6 HA -0.15 0.18 0.73 -0.75 4.34 4.35 3hg7A1 ARG 6 HB2 0.23 0.10 0.14 -0.04 1.90 2.32 3hg7A1 ARG 6 HB3 0.24 -0.09 0.06 -0.04 1.80 1.96 3hg7A1 ARG 6 HG2 -0.28 0.03 0.13 -0.04 1.67 1.51 3hg7A1 ARG 6 HG3 -0.01 -0.00 -0.05 -0.04 1.67 1.57 3hg7A1 ARG 6 HD2 0.33 0.01 -0.01 -0.04 3.22 3.50 3hg7A1 ARG 6 HD3 0.42 -0.05 -0.02 -0.04 3.22 3.54 3hg7A1 THR 7 H 0.76 0.13 0.20 -0.55 8.28 8.82 3hg7A1 THR 7 HA 0.12 0.29 0.98 -0.75 4.39 5.03 3hg7A1 THR 7 HB 0.07 0.08 0.20 -0.04 4.32 4.63 3hg7A1 THR 7 HG23 -0.00 -0.03 -0.29 -0.04 1.22 0.85 3hg7A1 LEU 8 H 0.04 0.83 0.32 -0.55 8.37 9.02 3hg7A1 LEU 8 HA -0.01 0.23 0.89 -0.75 4.35 4.71 3hg7A1 LEU 8 HB2 0.06 0.02 -0.05 -0.04 1.64 1.63 3hg7A1 LEU 8 HB3 -0.03 0.03 0.07 -0.04 1.64 1.67 3hg7A1 LEU 8 HG -0.19 -0.07 -0.47 -0.04 1.64 0.86 3hg7A1 LEU 8 HD13 -0.24 0.02 -0.26 -0.04 0.93 0.41 3hg7A1 LEU 8 HD23 -0.35 -0.01 -0.15 -0.04 0.89 0.33 3hg7A1 LEU 9 H -0.14 0.61 0.30 -0.55 8.37 8.59 3hg7A1 LEU 9 HA -0.10 0.20 0.91 -0.75 4.35 4.60 3hg7A1 LEU 9 HB2 -0.11 0.07 -0.13 -0.04 1.64 1.43 3hg7A1 LEU 9 HB3 -0.17 0.00 0.05 -0.04 1.64 1.48 3hg7A1 LEU 9 HG -0.14 -0.05 -0.51 -0.04 1.64 0.90 3hg7A1 LEU 9 HD13 -0.08 0.00 -0.32 -0.04 0.93 0.49 3hg7A1 LEU 9 HD23 -0.13 -0.00 -0.23 -0.04 0.89 0.49 3hg7A1 LEU 10 H -0.11 0.58 0.24 -0.55 8.37 8.53 3hg7A1 LEU 10 HA -0.21 0.20 0.80 -0.75 4.35 4.39 3hg7A1 LEU 10 HB2 -0.08 -0.03 0.27 -0.04 1.64 1.76 3hg7A1 LEU 10 HB3 -0.08 -0.15 0.07 -0.04 1.64 1.44 3hg7A1 LEU 10 HG -0.15 0.15 -0.10 -0.04 1.64 1.50 3hg7A1 LEU 10 HD13 -0.05 -0.01 -0.14 -0.04 0.93 0.69 3hg7A1 LEU 10 HD23 -0.32 -0.00 -0.12 -0.04 0.89 0.41 3hg7A1 LEU 11 H -0.17 0.71 0.25 -0.55 8.37 8.61 3hg7A1 LEU 11 HA -0.08 0.30 0.75 -0.75 4.35 4.56 3hg7A1 LEU 11 HB2 -0.15 0.07 -0.19 -0.04 1.64 1.33 3hg7A1 LEU 11 HB3 -0.19 -0.00 0.06 -0.04 1.64 1.46 3hg7A1 LEU 11 HG -0.10 -0.19 -0.02 -0.04 1.64 1.30 3hg7A1 LEU 11 HD13 -0.07 0.03 -0.08 -0.04 0.93 0.76 3hg7A1 LEU 11 HD23 -0.16 0.06 -0.21 -0.04 0.89 0.54 3hg7A1 SER 12 H -0.04 0.25 -0.02 -0.55 8.46 8.10 3hg7A1 SER 12 HA -0.05 0.10 0.99 -0.75 4.49 4.78 3hg7A1 SER 12 HB2 -0.07 0.12 -0.16 -0.04 3.95 3.80 3hg7A1 SER 12 HB3 0.12 0.03 -0.11 -0.04 3.93 3.93 3hg7A1 GLN 13 H 0.01 0.17 0.19 -0.55 8.47 8.29 3hg7A1 GLN 13 HA 0.03 0.18 0.51 -0.75 4.36 4.32 3hg7A1 GLN 13 HB2 0.05 0.09 0.16 -0.04 2.15 2.41 3hg7A1 GLN 13 HB3 0.04 0.03 0.16 -0.04 2.02 2.21 3hg7A1 GLN 13 HG2 0.07 -0.11 0.14 -0.04 2.40 2.45 3hg7A1 GLN 13 HG3 0.12 0.03 -0.09 -0.04 2.39 2.41 3hg7A1 GLN 13 HE21 0.14 0.07 0.05 -0.04 6.97 7.18 3hg7A1 GLN 13 HE22 0.08 -0.07 0.07 -0.04 7.69 7.74 3hg7A1 ASP 14 H 0.11 0.01 -0.33 -0.55 8.40 7.64 3hg7A1 ASP 14 HA 0.04 0.25 0.80 -0.75 4.63 4.96 3hg7A1 ASP 14 HB2 0.09 0.01 0.04 -0.04 2.71 2.81 3hg7A1 ASP 14 HB3 -0.29 -0.06 0.19 -0.04 2.70 2.50 3hg7A1 ASN 15 H 0.07 0.56 -0.46 -0.55 8.53 8.16 3hg7A1 ASN 15 HA 0.14 -0.01 0.27 -0.75 4.76 4.41 3hg7A1 ASN 15 HB2 0.02 0.07 0.04 -0.04 2.88 2.97 3hg7A1 ASN 15 HB3 0.02 0.03 -0.17 -0.04 2.79 2.63 3hg7A1 ASN 15 HD21 -0.04 0.28 -0.12 -0.04 7.03 7.11 3hg7A1 ASN 15 HD22 -0.01 -0.07 -0.28 -0.04 7.74 7.34 3hg7A1 ALA 16 H 0.03 0.17 -0.24 -0.55 8.40 7.81 3hg7A1 ALA 16 HA 0.01 0.11 0.40 -0.75 4.34 4.11 3hg7A1 ALA 16 HB3 -0.00 0.03 0.06 -0.04 1.41 1.45 3hg7A1 HIS 17 H 0.05 0.14 -0.18 -0.55 8.41 7.87 3hg7A1 HIS 17 HA -0.07 0.08 0.41 -0.75 4.63 4.30 3hg7A1 HIS 17 HB2 -0.12 -0.00 0.13 -0.04 3.26 3.23 3hg7A1 HIS 17 HB3 -0.34 0.04 0.13 -0.04 3.20 2.99 3hg7A1 HIS 17 HD2 -0.06 -0.04 0.04 -0.04 6.97 6.87 3hg7A1 HIS 17 HE1 0.04 0.01 0.03 -0.04 7.75 7.78 3hg7A1 TYR 18 H -0.09 0.58 -0.04 -0.55 8.29 8.19 3hg7A1 TYR 18 HA -0.05 0.01 0.36 -0.75 4.56 4.12 3hg7A1 TYR 18 HB2 -0.08 0.01 0.00 -0.04 3.06 2.95 3hg7A1 TYR 18 HB3 -0.15 0.05 -0.10 -0.04 2.98 2.75 3hg7A1 TYR 18 HD2 -0.09 -0.04 -0.21 -0.04 7.15 6.77 3hg7A1 TYR 18 HE2 -0.07 -0.04 -0.07 -0.04 6.85 6.63 3hg7A1 GLU 19 H 0.08 0.68 -0.22 -0.55 8.60 8.59 3hg7A1 GLU 19 HA 0.01 0.06 0.39 -0.75 4.29 3.99 3hg7A1 GLU 19 HB2 0.01 -0.00 0.04 -0.04 2.09 2.10 3hg7A1 GLU 19 HB3 0.02 0.07 0.11 -0.04 1.99 2.14 3hg7A1 GLU 19 HG2 0.01 -0.01 -0.23 -0.04 2.34 2.07 3hg7A1 GLU 19 HG3 -0.01 0.02 -0.03 -0.04 2.34 2.28 3hg7A1 ARG 20 H 0.05 0.46 -0.13 -0.55 8.46 8.29 3hg7A1 ARG 20 HA 0.02 0.00 0.46 -0.75 4.34 4.06 3hg7A1 ARG 20 HB2 0.01 0.00 0.12 -0.04 1.90 2.00 3hg7A1 ARG 20 HB3 0.06 0.00 0.21 -0.04 1.80 2.03 3hg7A1 ARG 20 HG2 0.05 -0.01 -0.22 -0.04 1.67 1.46 3hg7A1 ARG 20 HG3 0.02 -0.00 -0.01 -0.04 1.67 1.63 3hg7A1 ARG 20 HD2 -0.01 0.00 -0.03 -0.04 3.22 3.15 3hg7A1 ARG 20 HD3 -0.02 0.00 -0.00 -0.04 3.22 3.16 3hg7A1 LEU 21 H 0.09 0.56 -0.11 -0.55 8.37 8.36 3hg7A1 LEU 21 HA 0.07 0.05 0.32 -0.75 4.35 4.03 3hg7A1 LEU 21 HB2 0.08 0.05 0.13 -0.04 1.64 1.86 3hg7A1 LEU 21 HB3 0.07 0.00 -0.07 -0.04 1.64 1.61 3hg7A1 LEU 21 HG 0.18 0.03 0.00 -0.04 1.64 1.81 3hg7A1 LEU 21 HD13 -0.21 -0.03 -0.25 -0.04 0.93 0.39 3hg7A1 LEU 21 HD23 0.08 0.00 -0.02 -0.04 0.89 0.91 3hg7A1 LEU 22 H 0.04 0.69 -0.07 -0.55 8.37 8.48 3hg7A1 LEU 22 HA 0.04 0.05 0.51 -0.75 4.35 4.20 3hg7A1 LEU 22 HB2 -0.04 0.22 0.13 -0.04 1.64 1.91 3hg7A1 LEU 22 HB3 -0.05 0.02 -0.08 -0.04 1.64 1.49 3hg7A1 LEU 22 HG -0.12 0.03 -0.04 -0.04 1.64 1.48 3hg7A1 LEU 22 HD13 0.04 -0.02 -0.06 -0.04 0.93 0.86 3hg7A1 LEU 22 HD23 -0.46 -0.01 -0.10 -0.04 0.89 0.27 3hg7A1 LYS 23 H 0.02 0.51 -0.20 -0.55 8.42 8.20 3hg7A1 LYS 23 HA 0.04 0.06 0.60 -0.75 4.32 4.26 3hg7A1 LYS 23 HB2 0.02 0.11 0.20 -0.04 1.87 2.15 3hg7A1 LYS 23 HB3 0.02 -0.04 0.02 -0.04 1.79 1.75 3hg7A1 LYS 23 HG2 0.02 -0.01 0.08 -0.04 1.46 1.50 3hg7A1 LYS 23 HG3 0.01 0.02 0.06 -0.04 1.46 1.51 3hg7A1 LYS 23 HD2 0.01 -0.04 -0.07 -0.04 1.69 1.55 3hg7A1 LYS 23 HD3 0.01 -0.02 0.00 -0.04 1.68 1.63 3hg7A1 LYS 23 HE2 0.01 0.02 0.02 -0.04 2.99 3.00 3hg7A1 LYS 23 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.93 3hg7A1 ALA 24 H 0.04 0.32 -0.31 -0.55 8.40 7.90 3hg7A1 ALA 24 HA 0.02 0.06 0.53 -0.75 4.34 4.19 3hg7A1 ALA 24 HB3 0.04 0.02 0.10 -0.04 1.41 1.53 3hg7A1 ALA 25 H 0.06 0.22 -0.32 -0.55 8.40 7.81 3hg7A1 ALA 25 HA 0.08 0.04 0.29 -0.75 4.34 4.00 3hg7A1 ALA 25 HB3 0.08 0.02 0.04 -0.04 1.41 1.51 3hg7A1 HIS 26 H 0.13 0.16 -0.63 -0.55 8.41 7.52 3hg7A1 HIS 26 HA 0.00 0.00 0.27 -0.75 4.63 4.14 3hg7A1 HIS 26 HB2 0.01 0.00 -0.14 -0.04 3.26 3.09 3hg7A1 HIS 26 HB3 0.01 0.05 0.03 -0.04 3.20 3.26 3hg7A1 HIS 26 HD2 0.00 -0.02 0.00 -0.04 6.97 6.91 3hg7A1 HIS 26 HE1 -0.01 -0.04 -0.02 -0.04 7.75 7.64 3hg7A1 LEU 27 H -0.01 0.16 -0.02 -0.55 8.37 7.96 3hg7A1 LEU 27 HA -0.00 0.20 0.71 -0.75 4.35 4.51 3hg7A1 LEU 27 HB2 -0.12 -0.03 0.06 -0.04 1.64 1.51 3hg7A1 LEU 27 HB3 -0.15 0.07 -0.03 -0.04 1.64 1.49 3hg7A1 LEU 27 HG 0.00 -0.09 -0.29 -0.04 1.64 1.22 3hg7A1 LEU 27 HD13 -0.10 -0.02 -0.06 -0.04 0.93 0.71 3hg7A1 LEU 27 HD23 0.03 0.02 -0.08 -0.04 0.89 0.81 3hg7A1 PRO 28 HA -0.31 0.02 0.47 -0.51 4.44 4.11 3hg7A1 PRO 28 HB2 -1.17 0.02 -0.00 -0.04 2.28 1.09 3hg7A1 PRO 28 HB3 -0.39 0.01 0.07 -0.04 2.02 1.67 3hg7A1 PRO 28 HG2 0.00 0.04 0.04 -0.04 2.03 2.08 3hg7A1 PRO 28 HG3 -0.08 0.03 0.07 -0.04 2.03 2.00 3hg7A1 PRO 28 HD2 0.07 0.07 0.22 -0.04 3.68 4.00 3hg7A1 PRO 28 HD3 -0.10 0.30 0.23 -0.04 3.65 4.04 3hg7A1 HIS 29 H -0.25 0.08 0.15 -0.55 8.41 7.84 3hg7A1 HIS 29 HA 0.04 0.00 0.27 -0.75 4.63 4.19 3hg7A1 HIS 29 HB2 0.08 0.11 0.12 -0.04 3.26 3.53 3hg7A1 HIS 29 HB3 0.04 -0.05 0.12 -0.04 3.20 3.26 3hg7A1 HIS 29 HD2 0.05 0.11 -0.19 -0.04 6.97 6.89 3hg7A1 HIS 29 HE1 0.01 -0.01 -0.02 -0.04 7.75 7.67 3hg7A1 LEU 30 H 0.04 0.09 -0.25 -0.55 8.37 7.69 3hg7A1 LEU 30 HA 0.15 0.30 0.95 -0.75 4.35 4.99 3hg7A1 LEU 30 HB2 0.15 0.07 -0.25 -0.04 1.64 1.57 3hg7A1 LEU 30 HB3 0.00 0.01 -0.03 -0.04 1.64 1.58 3hg7A1 LEU 30 HG 0.04 -0.04 -0.45 -0.04 1.64 1.14 3hg7A1 LEU 30 HD13 0.23 0.03 -0.26 -0.04 0.93 0.88 3hg7A1 LEU 30 HD23 -0.16 -0.03 -0.14 -0.04 0.89 0.51 3hg7A1 ARG 31 H 0.09 0.83 0.28 -0.55 8.46 9.11 3hg7A1 ARG 31 HA 0.03 0.04 0.77 -0.75 4.34 4.42 3hg7A1 ARG 31 HB2 0.06 0.10 0.07 -0.04 1.90 2.08 3hg7A1 ARG 31 HB3 0.06 -0.03 0.12 -0.04 1.80 1.92 3hg7A1 ARG 31 HG2 0.02 -0.05 -0.34 -0.04 1.67 1.27 3hg7A1 ARG 31 HG3 0.02 -0.03 0.00 -0.04 1.67 1.63 3hg7A1 ARG 31 HD2 0.02 -0.06 -0.07 -0.04 3.22 3.06 3hg7A1 ARG 31 HD3 0.03 0.06 -0.04 -0.04 3.22 3.24 3hg7A1 ILE 32 H 0.01 0.18 0.16 -0.55 8.25 8.05 3hg7A1 ILE 32 HA -0.03 0.17 0.85 -0.75 4.18 4.41 3hg7A1 ILE 32 HB -0.02 -0.02 0.13 -0.04 1.89 1.94 3hg7A1 ILE 32 HG12 -0.06 -0.03 -0.16 -0.04 1.49 1.20 3hg7A1 ILE 32 HG13 -0.01 0.11 -0.30 -0.04 1.21 0.96 3hg7A1 ILE 32 HG23 -0.06 -0.03 -0.17 -0.04 0.93 0.63 3hg7A1 ILE 32 HD13 -0.03 -0.01 -0.13 -0.04 0.88 0.66 3hg7A1 LEU 33 H -0.05 0.81 0.41 -0.55 8.37 9.00 3hg7A1 LEU 33 HA -0.03 0.16 0.88 -0.75 4.35 4.61 3hg7A1 LEU 33 HB2 -0.05 0.02 0.04 -0.04 1.64 1.61 3hg7A1 LEU 33 HB3 -0.04 -0.05 0.03 -0.04 1.64 1.54 3hg7A1 LEU 33 HG -0.01 0.06 -0.24 -0.04 1.64 1.40 3hg7A1 LEU 33 HD13 -0.03 0.01 -0.11 -0.04 0.93 0.76 3hg7A1 LEU 33 HD23 -0.01 0.03 -0.13 -0.04 0.89 0.74 3hg7A1 ARG 34 H -0.03 0.29 0.19 -0.55 8.46 8.35 3hg7A1 ARG 34 HA -0.06 0.13 1.01 -0.75 4.34 4.67 3hg7A1 ARG 34 HB2 -0.03 0.06 -0.19 -0.04 1.90 1.69 3hg7A1 ARG 34 HB3 -0.02 0.02 0.03 -0.04 1.80 1.79 3hg7A1 ARG 34 HG2 -0.02 -0.07 -0.32 -0.04 1.67 1.21 3hg7A1 ARG 34 HG3 -0.02 -0.02 -0.08 -0.04 1.67 1.51 3hg7A1 ARG 34 HD2 -0.00 0.03 -0.17 -0.04 3.22 3.04 3hg7A1 ARG 34 HD3 -0.01 0.05 -0.10 -0.04 3.22 3.12 3hg7A1 ALA 35 H -0.06 0.72 0.26 -0.55 8.40 8.78 3hg7A1 ALA 35 HA -0.03 0.10 0.75 -0.75 4.34 4.41 3hg7A1 ALA 35 HB3 -0.05 0.02 -0.07 -0.04 1.41 1.27 3hg7A1 ASP 36 H -0.02 0.17 0.08 -0.55 8.40 8.08 3hg7A1 ASP 36 HA -0.02 0.14 0.59 -0.75 4.63 4.59 3hg7A1 ASP 36 HB2 -0.01 0.01 0.07 -0.04 2.71 2.74 3hg7A1 ASP 36 HB3 -0.01 0.03 0.09 -0.04 2.70 2.77 3hg7A1 ASN 37 H -0.02 0.06 -0.06 -0.55 8.53 7.96 3hg7A1 ASN 37 HA -0.02 0.23 0.41 -0.75 4.76 4.64 3hg7A1 ASN 37 HB2 -0.01 -0.05 0.20 -0.04 2.88 2.98 3hg7A1 ASN 37 HB3 -0.01 0.17 -0.00 -0.04 2.79 2.91 3hg7A1 ASN 37 HD21 -0.01 0.06 -0.01 -0.04 7.03 7.03 3hg7A1 ASN 37 HD22 -0.01 0.11 -0.00 -0.04 7.74 7.80 3hg7A1 GLN 38 H -0.02 0.21 0.14 -0.55 8.47 8.26 3hg7A1 GLN 38 HA -0.03 0.17 0.42 -0.75 4.36 4.15 3hg7A1 GLN 38 HB2 -0.02 0.05 0.09 -0.04 2.15 2.23 3hg7A1 GLN 38 HB3 -0.02 -0.00 0.11 -0.04 2.02 2.07 3hg7A1 GLN 38 HG2 -0.02 -0.01 -0.19 -0.04 2.40 2.13 3hg7A1 GLN 38 HG3 -0.03 0.05 0.01 -0.04 2.39 2.37 3hg7A1 GLN 38 HE21 -0.01 0.04 -0.04 -0.04 6.97 6.92 3hg7A1 GLN 38 HE22 -0.02 -0.01 -0.08 -0.04 7.69 7.54 3hg7A1 SER 39 H -0.02 0.07 -0.05 -0.55 8.46 7.92 3hg7A1 SER 39 HA -0.02 0.15 0.38 -0.75 4.49 4.25 3hg7A1 SER 39 HB2 -0.01 0.04 0.09 -0.04 3.95 4.03 3hg7A1 SER 39 HB3 -0.01 -0.06 0.06 -0.04 3.93 3.87 3hg7A1 ASP 40 H -0.02 0.01 -0.24 -0.55 8.40 7.60 3hg7A1 ASP 40 HA -0.02 0.14 0.47 -0.75 4.63 4.46 3hg7A1 ASP 40 HB2 -0.03 -0.13 0.10 -0.04 2.71 2.60 3hg7A1 ASP 40 HB3 -0.03 0.11 0.06 -0.04 2.70 2.80 3hg7A1 ALA 41 H -0.04 0.26 -0.33 -0.55 8.40 7.74 3hg7A1 ALA 41 HA -0.06 0.03 0.39 -0.75 4.34 3.95 3hg7A1 ALA 41 HB3 -0.07 0.04 0.07 -0.04 1.41 1.41 3hg7A1 GLU 42 H -0.04 0.44 -0.20 -0.55 8.60 8.26 3hg7A1 GLU 42 HA -0.04 0.02 0.38 -0.75 4.29 3.90 3hg7A1 GLU 42 HB2 -0.03 0.13 0.09 -0.04 2.09 2.24 3hg7A1 GLU 42 HB3 -0.03 -0.01 0.02 -0.04 1.99 1.93 3hg7A1 GLU 42 HG2 -0.03 0.29 0.10 -0.04 2.34 2.66 3hg7A1 GLU 42 HG3 -0.02 -0.08 0.03 -0.04 2.34 2.23 3hg7A1 LYS 43 H -0.03 0.28 -0.36 -0.55 8.42 7.75 3hg7A1 LYS 43 HA -0.03 0.10 0.51 -0.75 4.32 4.15 3hg7A1 LYS 43 HB2 -0.03 0.09 0.04 -0.04 1.87 1.93 3hg7A1 LYS 43 HB3 -0.02 -0.02 0.09 -0.04 1.79 1.80 3hg7A1 LYS 43 HG2 -0.02 -0.01 -0.01 -0.04 1.46 1.38 3hg7A1 LYS 43 HG3 -0.02 0.12 0.08 -0.04 1.46 1.60 3hg7A1 LYS 43 HD2 -0.02 -0.02 0.02 -0.04 1.69 1.63 3hg7A1 LYS 43 HD3 -0.02 0.00 0.01 -0.04 1.68 1.64 3hg7A1 LYS 43 HE2 -0.01 -0.00 -0.01 -0.04 2.99 2.93 3hg7A1 LYS 43 HE3 -0.02 0.02 -0.02 -0.04 2.99 2.94 3hg7A1 LEU 44 H -0.05 0.36 -0.34 -0.55 8.37 7.79 3hg7A1 LEU 44 HA -0.04 0.23 0.76 -0.75 4.35 4.54 3hg7A1 LEU 44 HB2 -0.06 0.00 -0.01 -0.04 1.64 1.53 3hg7A1 LEU 44 HB3 -0.06 -0.04 -0.06 -0.04 1.64 1.44 3hg7A1 LEU 44 HG -0.04 0.07 -0.12 -0.04 1.64 1.51 3hg7A1 LEU 44 HD13 -0.04 -0.05 -0.13 -0.04 0.93 0.68 3hg7A1 LEU 44 HD23 -0.03 0.02 -0.11 -0.04 0.89 0.74 3hg7A1 ILE 45 H -0.07 0.46 0.03 -0.55 8.25 8.12 3hg7A1 ILE 45 HA -0.12 0.01 0.06 -0.75 4.18 3.38 3hg7A1 ILE 45 HB -0.11 -0.03 0.01 -0.04 1.89 1.71 3hg7A1 ILE 45 HG12 -0.13 0.03 -0.27 -0.04 1.49 1.08 3hg7A1 ILE 45 HG13 -0.16 -0.02 0.01 -0.04 1.21 1.00 3hg7A1 ILE 45 HG23 -0.08 0.06 -0.09 -0.04 0.93 0.78 3hg7A1 ILE 45 HD13 -0.21 -0.02 -0.15 -0.04 0.88 0.47 3hg7A1 GLY 46 H -0.07 0.14 -0.27 -0.55 8.43 7.69 3hg7A1 GLY 46 HA2 -0.07 0.10 0.52 -0.51 4.01 4.05 3hg7A1 GLY 46 HA3 -0.05 0.04 0.28 -0.51 4.01 3.77 3hg7A1 GLU 47 H -0.08 0.33 -0.53 -0.55 8.60 7.77 3hg7A1 GLU 47 HA -0.12 0.16 0.71 -0.75 4.29 4.29 3hg7A1 GLU 47 HB2 -0.06 0.15 0.05 -0.04 2.09 2.19 3hg7A1 GLU 47 HB3 -0.05 -0.05 0.05 -0.04 1.99 1.90 3hg7A1 GLU 47 HG2 -0.03 0.01 -0.04 -0.04 2.34 2.24 3hg7A1 GLU 47 HG3 -0.04 -0.06 -0.13 -0.04 2.34 2.07 3hg7A1 ALA 48 H -0.14 0.46 -0.31 -0.55 8.40 7.86 3hg7A1 ALA 48 HA -0.12 0.04 0.35 -0.75 4.34 3.87 3hg7A1 ALA 48 HB3 -0.13 0.03 -0.05 -0.04 1.41 1.22 3hg7A1 HIS 49 H -0.08 0.19 0.36 -0.55 8.41 8.33 3hg7A1 HIS 49 HA 0.07 0.41 0.82 -0.75 4.63 5.18 3hg7A1 HIS 49 HB2 0.17 -0.05 0.19 -0.04 3.26 3.52 3hg7A1 HIS 49 HB3 0.20 -0.01 0.19 -0.04 3.20 3.54 3hg7A1 HIS 49 HD2 0.09 0.08 0.10 -0.04 6.97 7.20 3hg7A1 HIS 49 HE1 0.05 0.02 0.01 -0.04 7.75 7.80 3hg7A1 ILE 50 H 0.07 0.53 0.30 -0.55 8.25 8.60 3hg7A1 ILE 50 HA -0.08 0.32 1.05 -0.75 4.18 4.71 3hg7A1 ILE 50 HB 0.07 -0.09 0.06 -0.04 1.89 1.89 3hg7A1 ILE 50 HG12 0.06 0.07 -0.11 -0.04 1.49 1.47 3hg7A1 ILE 50 HG13 0.28 -0.07 -0.27 -0.04 1.21 1.12 3hg7A1 ILE 50 HG23 -0.32 -0.01 -0.09 -0.04 0.93 0.47 3hg7A1 ILE 50 HD13 0.54 0.00 -0.11 -0.04 0.88 1.28 3hg7A1 LEU 51 H -0.31 0.64 0.44 -0.55 8.37 8.59 3hg7A1 LEU 51 HA -0.28 0.20 0.99 -0.75 4.35 4.50 3hg7A1 LEU 51 HB2 -0.39 0.08 -0.15 -0.04 1.64 1.13 3hg7A1 LEU 51 HB3 -0.62 -0.05 0.07 -0.04 1.64 1.00 3hg7A1 LEU 51 HG -0.67 -0.08 -0.34 -0.04 1.64 0.50 3hg7A1 LEU 51 HD13 -0.32 0.07 -0.07 -0.04 0.93 0.57 3hg7A1 LEU 51 HD23 -1.16 -0.01 -0.15 -0.04 0.89 -0.47 3hg7A1 MET 52 H -0.30 0.57 0.24 -0.55 8.47 8.44 3hg7A1 MET 52 HA -0.13 0.51 0.90 -0.75 4.52 5.04 3hg7A1 MET 52 HB2 -0.51 0.05 -0.02 -0.04 2.15 1.64 3hg7A1 MET 52 HB3 -0.48 -0.09 0.09 -0.04 2.03 1.51 3hg7A1 MET 52 HG2 -0.68 -0.19 -0.22 -0.04 2.63 1.51 3hg7A1 MET 52 HG3 -0.31 0.15 -0.08 -0.04 2.56 2.28 3hg7A1 MET 52 HE3 -0.88 -0.02 -0.11 -0.04 2.10 1.06 3hg7A1 ALA 53 H 0.08 0.55 0.20 -0.55 8.40 8.69 3hg7A1 ALA 53 HA -0.13 0.01 0.50 -0.75 4.34 3.96 3hg7A1 ALA 53 HB3 -0.18 0.04 -0.18 -0.04 1.41 1.05 3hg7A1 GLU 54 H -0.12 0.31 0.30 -0.55 8.60 8.54 3hg7A1 GLU 54 HA -0.41 0.09 0.85 -0.75 4.29 4.06 3hg7A1 GLU 54 HB2 -0.17 0.01 0.25 -0.04 2.09 2.14 3hg7A1 GLU 54 HB3 -0.29 -0.02 0.12 -0.04 1.99 1.76 3hg7A1 GLU 54 HG2 -0.56 0.08 0.11 -0.04 2.34 1.92 3hg7A1 GLU 54 HG3 -1.26 0.05 0.10 -0.04 2.34 1.18 3hg7A1 PRO 55 HA 0.23 0.15 0.42 -0.51 4.44 4.73 3hg7A1 PRO 55 HB2 0.09 -0.04 0.11 -0.04 2.28 2.40 3hg7A1 PRO 55 HB3 0.07 0.07 0.06 -0.04 2.02 2.18 3hg7A1 PRO 55 HG2 0.07 0.34 0.24 -0.04 2.03 2.64 3hg7A1 PRO 55 HG3 -0.07 0.12 0.14 -0.04 2.03 2.17 3hg7A1 PRO 55 HD2 -0.09 0.07 0.30 -0.04 3.68 3.92 3hg7A1 PRO 55 HD3 -0.13 0.08 0.36 -0.04 3.65 3.91 3hg7A1 ALA 56 H 0.06 0.12 -0.12 -0.55 8.40 7.91 3hg7A1 ALA 56 HA 0.06 0.13 0.38 -0.75 4.34 4.15 3hg7A1 ALA 56 HB3 0.06 0.02 0.05 -0.04 1.41 1.51 3hg7A1 ARG 57 H -0.01 0.10 -0.35 -0.55 8.46 7.65 3hg7A1 ARG 57 HA -0.01 0.00 0.80 -0.75 4.34 4.37 3hg7A1 ARG 57 HB2 -0.05 0.00 0.17 -0.04 1.90 1.98 3hg7A1 ARG 57 HB3 -0.05 0.00 -0.02 -0.04 1.80 1.68 3hg7A1 ARG 57 HG2 -0.02 0.03 0.01 -0.04 1.67 1.65 3hg7A1 ARG 57 HG3 -0.01 -0.08 -0.08 -0.04 1.67 1.47 3hg7A1 ARG 57 HD2 -0.01 0.00 -0.06 -0.04 3.22 3.12 3hg7A1 ARG 57 HD3 -0.03 0.00 -0.05 -0.04 3.22 3.10 3hg7A1 ALA 58 H 0.02 0.37 -0.09 -0.55 8.40 8.14 3hg7A1 ALA 58 HA -0.14 0.09 0.45 -0.75 4.34 3.99 3hg7A1 ALA 58 HB3 -0.16 0.02 -0.04 -0.04 1.41 1.19 3hg7A1 LYS 59 H 0.05 0.39 -0.16 -0.55 8.42 8.15 3hg7A1 LYS 59 HA 0.06 0.02 0.21 -0.75 4.32 3.85 3hg7A1 LYS 59 HB2 0.08 0.00 0.01 -0.04 1.87 1.93 3hg7A1 LYS 59 HB3 0.04 0.05 0.06 -0.04 1.79 1.90 3hg7A1 LYS 59 HG2 0.04 -0.00 -0.22 -0.04 1.46 1.23 3hg7A1 LYS 59 HG3 0.06 0.02 0.01 -0.04 1.46 1.51 3hg7A1 LYS 59 HD2 0.07 -0.08 -0.06 -0.04 1.69 1.57 3hg7A1 LYS 59 HD3 0.05 -0.04 -0.03 -0.04 1.68 1.62 3hg7A1 LYS 59 HE2 0.04 -0.05 -0.02 -0.04 2.99 2.92 3hg7A1 LYS 59 HE3 0.05 0.05 0.05 -0.04 2.99 3.10 3hg7A1 PRO 60 HA 0.00 0.10 0.51 -0.51 4.44 4.53 3hg7A1 PRO 60 HB2 -0.01 0.01 -0.04 -0.04 2.28 2.20 3hg7A1 PRO 60 HB3 0.00 0.00 0.08 -0.04 2.02 2.06 3hg7A1 PRO 60 HG2 -0.02 0.12 -0.05 -0.04 2.03 2.03 3hg7A1 PRO 60 HG3 -0.00 -0.01 0.03 -0.04 2.03 2.02 3hg7A1 PRO 60 HD2 0.00 0.05 -0.41 -0.04 3.68 3.28 3hg7A1 PRO 60 HD3 0.02 0.08 0.04 -0.04 3.65 3.74 3hg7A1 LEU 61 H -0.04 0.56 -0.34 -0.55 8.37 8.00 3hg7A1 LEU 61 HA -0.04 0.14 0.75 -0.75 4.35 4.44 3hg7A1 LEU 61 HB2 -0.10 0.13 0.06 -0.04 1.64 1.69 3hg7A1 LEU 61 HB3 -0.09 -0.05 0.01 -0.04 1.64 1.47 3hg7A1 LEU 61 HG -0.05 -0.05 -0.19 -0.04 1.64 1.31 3hg7A1 LEU 61 HD13 -0.08 0.01 -0.04 -0.04 0.93 0.79 3hg7A1 LEU 61 HD23 -0.05 0.02 -0.12 -0.04 0.89 0.70 3hg7A1 LEU 62 H -0.03 0.34 -0.16 -0.55 8.37 7.96 3hg7A1 LEU 62 HA -0.11 0.03 0.06 -0.75 4.35 3.58 3hg7A1 LEU 62 HB2 0.01 0.15 0.11 -0.04 1.64 1.87 3hg7A1 LEU 62 HB3 0.00 -0.00 -0.08 -0.04 1.64 1.52 3hg7A1 LEU 62 HG -0.04 -0.01 -0.23 -0.04 1.64 1.32 3hg7A1 LEU 62 HD13 0.18 0.00 -0.07 -0.04 0.93 1.00 3hg7A1 LEU 62 HD23 -0.25 -0.00 -0.09 -0.04 0.89 0.51 3hg7A1 ALA 63 H -0.02 0.15 -0.22 -0.55 8.40 7.76 3hg7A1 ALA 63 HA -0.01 0.08 0.41 -0.75 4.34 4.06 3hg7A1 ALA 63 HB3 -0.01 0.01 0.03 -0.04 1.41 1.41 3hg7A1 LYS 64 H -0.04 0.38 -0.39 -0.55 8.42 7.81 3hg7A1 LYS 64 HA -0.03 0.12 0.66 -0.75 4.32 4.32 3hg7A1 LYS 64 HB2 -0.05 0.16 0.07 -0.04 1.87 2.00 3hg7A1 LYS 64 HB3 -0.04 -0.07 0.11 -0.04 1.79 1.74 3hg7A1 LYS 64 HG2 -0.02 0.01 -0.02 -0.04 1.46 1.38 3hg7A1 LYS 64 HG3 -0.03 -0.04 -0.03 -0.04 1.46 1.32 3hg7A1 LYS 64 HD2 -0.03 -0.03 0.06 -0.04 1.69 1.65 3hg7A1 LYS 64 HD3 -0.03 0.05 0.07 -0.04 1.68 1.73 3hg7A1 LYS 64 HE2 -0.02 -0.00 0.00 -0.04 2.99 2.93 3hg7A1 LYS 64 HE3 -0.02 -0.01 0.00 -0.04 2.99 2.93 3hg7A1 ALA 65 H -0.06 0.47 -0.38 -0.55 8.40 7.89 3hg7A1 ALA 65 HA -0.09 0.13 0.21 -0.75 4.34 3.83 3hg7A1 ALA 65 HB3 -0.16 0.01 0.06 -0.04 1.41 1.28 3hg7A1 ASN 66 H -0.04 0.50 0.07 -0.55 8.53 8.51 3hg7A1 ASN 66 HA 0.00 0.13 0.36 -0.75 4.76 4.50 3hg7A1 ASN 66 HB2 -0.02 0.04 0.09 -0.04 2.88 2.95 3hg7A1 ASN 66 HB3 0.00 -0.03 0.14 -0.04 2.79 2.86 3hg7A1 ASN 66 HD21 -0.01 0.07 0.06 -0.04 7.03 7.11 3hg7A1 ASN 66 HD22 -0.02 0.00 0.04 -0.04 7.74 7.72 3hg7A1 LYS 67 H -0.06 0.11 -0.29 -0.55 8.42 7.62 3hg7A1 LYS 67 HA 0.04 0.16 0.80 -0.75 4.32 4.56 3hg7A1 LYS 67 HB2 -0.18 0.09 -0.27 -0.04 1.87 1.47 3hg7A1 LYS 67 HB3 -0.23 -0.09 -0.08 -0.04 1.79 1.36 3hg7A1 LYS 67 HG2 0.01 -0.03 0.00 -0.04 1.46 1.40 3hg7A1 LYS 67 HG3 -0.04 -0.02 -0.15 -0.04 1.46 1.21 3hg7A1 LYS 67 HD2 -0.16 0.10 0.04 -0.04 1.69 1.63 3hg7A1 LYS 67 HD3 -0.22 -0.04 -0.06 -0.04 1.68 1.31 3hg7A1 LYS 67 HE2 0.04 -0.04 -0.01 -0.04 2.99 2.94 3hg7A1 LYS 67 HE3 -0.01 -0.03 -0.02 -0.04 2.99 2.89 3hg7A1 LEU 68 H -0.01 0.28 -0.20 -0.55 8.37 7.89 3hg7A1 LEU 68 HA 0.02 0.13 0.37 -0.75 4.35 4.11 3hg7A1 LEU 68 HB2 -0.13 -0.04 0.01 -0.04 1.64 1.43 3hg7A1 LEU 68 HB3 -0.08 0.12 0.09 -0.04 1.64 1.74 3hg7A1 LEU 68 HG -0.05 -0.04 -0.47 -0.04 1.64 1.05 3hg7A1 LEU 68 HD13 -0.14 0.02 -0.33 -0.04 0.93 0.43 3hg7A1 LEU 68 HD23 -0.56 -0.04 -0.18 -0.04 0.89 0.08 3hg7A1 SER 69 H 0.19 0.54 0.42 -0.55 8.46 9.07 3hg7A1 SER 69 HA 0.29 0.16 0.90 -0.75 4.49 5.10 3hg7A1 SER 69 HB2 0.44 0.10 0.23 -0.04 3.95 4.69 3hg7A1 SER 69 HB3 0.56 -0.08 0.04 -0.04 3.93 4.41 3hg7A1 TRP 70 H 0.19 0.38 0.33 -0.55 7.97 8.33 3hg7A1 TRP 70 HA 0.16 0.26 0.84 -0.75 4.62 5.12 3hg7A1 TRP 70 HB2 -0.27 0.09 -0.03 -0.04 3.23 2.98 3hg7A1 TRP 70 HB3 -0.74 -0.02 0.08 -0.04 3.23 2.51 3hg7A1 TRP 70 HD1 0.05 0.24 -0.08 -0.04 7.22 7.40 3hg7A1 TRP 70 HE1 -0.00 -0.04 -0.19 -0.04 10.20 9.93 3hg7A1 TRP 70 HE3 -0.98 0.03 -0.07 -0.04 7.59 6.54 3hg7A1 TRP 70 HZ2 -0.08 -0.02 -0.07 -0.04 7.44 7.23 3hg7A1 TRP 70 HZ3 -0.27 0.00 -0.09 -0.04 7.13 6.72 3hg7A1 TRP 70 HH2 -0.80 0.14 -0.05 -0.04 7.19 6.44 3hg7A1 PHE 71 H 0.46 0.78 0.28 -0.55 8.34 9.30 3hg7A1 PHE 71 HA -0.38 0.17 0.94 -0.75 4.62 4.60 3hg7A1 PHE 71 HB2 -0.25 0.02 -0.10 -0.04 3.15 2.78 3hg7A1 PHE 71 HB3 0.22 0.01 0.13 -0.04 3.06 3.38 3hg7A1 PHE 71 HD2 -0.16 0.19 -0.23 -0.04 7.28 7.03 3hg7A1 PHE 71 HE2 -0.08 -0.03 -0.16 -0.04 7.38 7.06 3hg7A1 PHE 71 HZ -0.08 -0.13 -0.37 -0.04 7.32 6.70 3hg7A1 GLN 72 H -0.35 0.63 0.28 -0.55 8.47 8.48 3hg7A1 GLN 72 HA 0.05 0.16 0.91 -0.75 4.36 4.73 3hg7A1 GLN 72 HB2 -0.26 0.02 0.04 -0.04 2.15 1.91 3hg7A1 GLN 72 HB3 -0.15 -0.05 0.20 -0.04 2.02 1.98 3hg7A1 GLN 72 HG2 0.24 -0.10 -0.10 -0.04 2.40 2.40 3hg7A1 GLN 72 HG3 0.03 0.02 -0.38 -0.04 2.39 2.02 3hg7A1 GLN 72 HE21 0.13 0.30 -0.34 -0.04 6.97 7.02 3hg7A1 GLN 72 HE22 0.08 0.38 -0.23 -0.04 7.69 7.87 3hg7A1 SER 73 H -0.19 0.74 0.26 -0.55 8.46 8.72 3hg7A1 SER 73 HA -0.10 0.16 0.74 -0.75 4.49 4.54 3hg7A1 SER 73 HB2 -0.44 -0.01 0.12 -0.04 3.95 3.58 3hg7A1 SER 73 HB3 -0.14 0.15 0.26 -0.04 3.93 4.16 3hg7A1 THR 74 H -0.12 0.36 0.25 -0.55 8.28 8.22 3hg7A1 THR 74 HA -0.02 0.19 0.58 -0.75 4.39 4.38 3hg7A1 THR 74 HB -0.01 -0.02 0.06 -0.04 4.32 4.31 3hg7A1 THR 74 HG23 -0.22 0.00 -0.17 -0.04 1.22 0.79 3hg7A1 TYR 75 H 0.03 0.12 -0.11 -0.55 8.29 7.78 3hg7A1 TYR 75 HA -0.03 0.20 0.98 -0.75 4.56 4.95 3hg7A1 TYR 75 HB2 -0.05 0.06 0.14 -0.04 3.06 3.18 3hg7A1 TYR 75 HB3 -0.08 -0.12 0.10 -0.04 2.98 2.84 3hg7A1 TYR 75 HD2 -0.08 0.13 -0.02 -0.04 7.15 7.14 3hg7A1 TYR 75 HE2 -0.11 0.01 0.06 -0.04 6.85 6.76 3hg7A1 ALA 76 H -0.02 0.15 0.19 -0.55 8.40 8.17 3hg7A1 ALA 76 HA 0.08 0.09 0.67 -0.75 4.34 4.43 3hg7A1 ALA 76 HB3 -0.13 -0.00 0.14 -0.04 1.41 1.39 3hg7A1 GLY 77 H -0.03 0.03 -0.02 -0.55 8.43 7.86 3hg7A1 GLY 77 HA2 0.01 0.10 0.51 -0.51 4.01 4.12 3hg7A1 GLY 77 HA3 0.01 0.02 0.32 -0.51 4.01 3.84 3hg7A1 VAL 78 H 0.02 0.17 0.20 -0.55 8.24 8.08 3hg7A1 VAL 78 HA 0.03 0.15 0.88 -0.75 4.13 4.44 3hg7A1 VAL 78 HB -0.02 0.01 0.10 -0.04 2.12 2.17 3hg7A1 VAL 78 HG13 -0.07 0.04 -0.25 -0.04 0.97 0.65 3hg7A1 VAL 78 HG23 -0.02 0.03 -0.10 -0.04 0.95 0.81 3hg7A1 ASP 79 H 0.04 0.07 0.04 -0.55 8.40 8.01 3hg7A1 ASP 79 HA 0.05 0.16 0.29 -0.75 4.63 4.38 3hg7A1 ASP 79 HB2 0.05 -0.03 0.10 -0.04 2.71 2.78 3hg7A1 ASP 79 HB3 0.05 0.09 0.03 -0.04 2.70 2.82 3hg7A1 VAL 80 H 0.07 0.04 -0.34 -0.55 8.24 7.45 3hg7A1 VAL 80 HA 0.06 0.11 0.38 -0.75 4.13 3.93 3hg7A1 VAL 80 HB 0.07 0.07 0.06 -0.04 2.12 2.28 3hg7A1 VAL 80 HG13 0.07 -0.01 -0.01 -0.04 0.97 0.98 3hg7A1 VAL 80 HG23 0.08 -0.01 -0.22 -0.04 0.95 0.77 3hg7A1 LEU 81 H 0.10 0.53 -0.34 -0.55 8.37 8.11 3hg7A1 LEU 81 HA 0.14 0.14 0.68 -0.75 4.35 4.56 3hg7A1 LEU 81 HB2 0.16 0.09 0.04 -0.04 1.64 1.90 3hg7A1 LEU 81 HB3 0.29 0.07 0.10 -0.04 1.64 2.06 3hg7A1 LEU 81 HG 0.10 -0.18 -0.04 -0.04 1.64 1.47 3hg7A1 LEU 81 HD13 -0.03 -0.01 -0.01 -0.04 0.93 0.85 3hg7A1 LEU 81 HD23 0.23 0.03 -0.08 -0.04 0.89 1.02 3hg7A1 LEU 82 H 0.11 0.33 -0.22 -0.55 8.37 8.04 3hg7A1 LEU 82 HA 0.20 0.23 0.67 -0.75 4.35 4.70 3hg7A1 LEU 82 HB2 0.08 -0.01 0.04 -0.04 1.64 1.71 3hg7A1 LEU 82 HB3 0.12 0.08 0.13 -0.04 1.64 1.93 3hg7A1 LEU 82 HG 0.09 -0.06 -0.08 -0.04 1.64 1.56 3hg7A1 LEU 82 HD13 0.05 -0.02 -0.02 -0.04 0.93 0.90 3hg7A1 LEU 82 HD23 0.15 0.03 -0.17 -0.04 0.89 0.86 3hg7A1 ASP 83 H 0.07 0.10 -0.37 -0.55 8.40 7.65 3hg7A1 ASP 83 HA 0.03 -0.04 0.46 -0.75 4.63 4.34 3hg7A1 ASP 83 HB2 0.05 0.09 0.12 -0.04 2.71 2.93 3hg7A1 ASP 83 HB3 0.04 0.04 0.06 -0.04 2.70 2.80 3hg7A1 ALA 84 H 0.02 0.07 0.20 -0.55 8.40 8.15 3hg7A1 ALA 84 HA -0.01 0.20 0.39 -0.75 4.34 4.17 3hg7A1 ALA 84 HB3 0.00 -0.01 0.11 -0.04 1.41 1.47 3hg7A1 ARG 85 H 0.01 -0.06 -0.38 -0.55 8.46 7.47 3hg7A1 ARG 85 HA -0.00 0.11 0.48 -0.75 4.34 4.18 3hg7A1 ARG 85 HB2 0.01 -0.01 -0.06 -0.04 1.90 1.80 3hg7A1 ARG 85 HB3 0.01 0.01 0.04 -0.04 1.80 1.82 3hg7A1 ARG 85 HG2 0.01 0.03 -0.03 -0.04 1.67 1.63 3hg7A1 ARG 85 HG3 0.01 -0.08 0.00 -0.04 1.67 1.56 3hg7A1 ARG 85 HD2 0.01 0.02 -0.02 -0.04 3.22 3.19 3hg7A1 ARG 85 HD3 0.01 0.02 -0.01 -0.04 3.22 3.20 3hg7A1 CYS 86 H -0.00 0.43 -0.38 -0.55 8.50 7.99 3hg7A1 CYS 86 HA 0.01 0.01 0.58 -0.75 4.58 4.43 3hg7A1 CYS 86 HB2 0.01 0.25 -0.04 -0.04 2.97 3.15 3hg7A1 CYS 86 HB3 0.06 -0.03 0.04 -0.04 2.97 3.00 3hg7A1 ARG 87 H 0.03 0.03 0.08 -0.55 8.46 8.05 3hg7A1 ARG 87 HA -0.04 0.07 0.43 -0.75 4.34 4.04 3hg7A1 ARG 87 HB2 0.06 -0.05 0.07 -0.04 1.90 1.93 3hg7A1 ARG 87 HB3 0.04 0.03 0.07 -0.04 1.80 1.90 3hg7A1 ARG 87 HG2 0.17 -0.08 -0.05 -0.04 1.67 1.66 3hg7A1 ARG 87 HG3 0.35 -0.05 -0.31 -0.04 1.67 1.62 3hg7A1 ARG 87 HD2 0.03 -0.01 -0.18 -0.04 3.22 3.01 3hg7A1 ARG 87 HD3 -0.00 0.02 -0.09 -0.04 3.22 3.11 3hg7A1 ARG 88 H -0.10 0.10 0.14 -0.55 8.46 8.05 3hg7A1 ARG 88 HA -0.83 0.22 0.80 -0.75 4.34 3.77 3hg7A1 ARG 88 HB2 -0.27 -0.01 0.06 -0.04 1.90 1.63 3hg7A1 ARG 88 HB3 -0.43 -0.06 0.21 -0.04 1.80 1.48 3hg7A1 ARG 88 HG2 -2.39 -0.05 0.03 -0.04 1.67 -0.79 3hg7A1 ARG 88 HG3 -0.70 0.23 -0.51 -0.04 1.67 0.65 3hg7A1 ARG 88 HD2 -0.22 0.02 -0.06 -0.04 3.22 2.93 3hg7A1 ARG 88 HD3 -0.21 -0.13 -0.03 -0.04 3.22 2.81 3hg7A1 ASP 89 H 0.09 0.10 -0.08 -0.55 8.40 7.97 3hg7A1 ASP 89 HA 0.06 0.15 0.54 -0.75 4.63 4.63 3hg7A1 ASP 89 HB2 0.09 0.07 0.20 -0.04 2.71 3.02 3hg7A1 ASP 89 HB3 0.05 -0.06 0.07 -0.04 2.70 2.71 3hg7A1 TYR 90 H -0.02 0.36 -0.48 -0.55 8.29 7.60 3hg7A1 TYR 90 HA 0.18 0.20 0.48 -0.75 4.56 4.67 3hg7A1 TYR 90 HB2 0.21 -0.08 -0.41 -0.04 3.06 2.73 3hg7A1 TYR 90 HB3 0.15 0.25 -0.35 -0.04 2.98 2.98 3hg7A1 TYR 90 HD2 0.20 0.03 -0.53 -0.04 7.15 6.81 3hg7A1 TYR 90 HE2 0.20 0.04 -0.21 -0.04 6.85 6.83 3hg7A1 GLN 91 H 0.42 0.77 0.21 -0.55 8.47 9.32 3hg7A1 GLN 91 HA 0.07 0.12 0.84 -0.75 4.36 4.63 3hg7A1 GLN 91 HB2 0.32 -0.02 0.27 -0.04 2.15 2.68 3hg7A1 GLN 91 HB3 0.11 -0.05 0.00 -0.04 2.02 2.04 3hg7A1 GLN 91 HG2 0.11 -0.01 -0.02 -0.04 2.40 2.43 3hg7A1 GLN 91 HG3 0.22 0.16 0.10 -0.04 2.39 2.83 3hg7A1 GLN 91 HE21 0.04 0.03 -0.04 -0.04 6.97 6.96 3hg7A1 GLN 91 HE22 0.24 0.07 -0.00 -0.04 7.69 7.96 3hg7A1 LEU 92 H -0.13 0.24 0.22 -0.55 8.37 8.16 3hg7A1 LEU 92 HA 0.28 0.26 1.03 -0.75 4.35 5.17 3hg7A1 LEU 92 HB2 0.18 0.04 -0.01 -0.04 1.64 1.81 3hg7A1 LEU 92 HB3 -0.38 -0.00 0.15 -0.04 1.64 1.37 3hg7A1 LEU 92 HG -0.14 -0.03 -0.29 -0.04 1.64 1.14 3hg7A1 LEU 92 HD13 -0.40 0.03 0.01 -0.04 0.93 0.53 3hg7A1 LEU 92 HD23 -0.05 -0.01 -0.08 -0.04 0.89 0.71 3hg7A1 THR 93 H 0.19 0.65 0.39 -0.55 8.28 8.96 3hg7A1 THR 93 HA 0.03 0.25 0.85 -0.75 4.39 4.78 3hg7A1 THR 93 HB 0.15 0.14 0.05 -0.04 4.32 4.62 3hg7A1 THR 93 HG23 0.10 -0.04 -0.34 -0.04 1.22 0.90 3hg7A1 ASN 94 H 0.03 0.47 0.21 -0.55 8.53 8.69 3hg7A1 ASN 94 HA -0.00 0.16 0.94 -0.75 4.76 5.11 3hg7A1 ASN 94 HB2 0.03 0.11 0.25 -0.04 2.88 3.23 3hg7A1 ASN 94 HB3 -0.02 -0.05 -0.03 -0.04 2.79 2.64 3hg7A1 ASN 94 HD21 0.04 -0.14 -0.03 -0.04 7.03 6.86 3hg7A1 ASN 94 HD22 0.03 0.41 0.21 -0.04 7.74 8.34 3hg7A1 VAL 95 H 0.11 0.24 -0.09 -0.55 8.24 7.95 3hg7A1 VAL 95 HA 0.11 0.18 0.73 -0.75 4.13 4.40 3hg7A1 VAL 95 HB 0.27 -0.13 -0.28 -0.04 2.12 1.93 3hg7A1 VAL 95 HG13 0.11 -0.03 -0.18 -0.04 0.97 0.83 3hg7A1 VAL 95 HG23 0.11 0.10 -0.20 -0.04 0.95 0.92 3hg7A1 ARG 96 H 0.08 0.33 0.13 -0.55 8.46 8.45 3hg7A1 ARG 96 HA 0.27 0.07 0.53 -0.75 4.34 4.46 3hg7A1 ARG 96 HB2 0.10 -0.11 0.14 -0.04 1.90 1.99 3hg7A1 ARG 96 HB3 0.10 0.12 -0.08 -0.04 1.80 1.90 3hg7A1 ARG 96 HG2 0.05 0.06 -0.08 -0.04 1.67 1.65 3hg7A1 ARG 96 HG3 0.05 0.03 -0.09 -0.04 1.67 1.62 3hg7A1 ARG 96 HD2 0.05 -0.09 -0.02 -0.04 3.22 3.13 3hg7A1 ARG 96 HD3 0.04 0.04 -0.02 -0.04 3.22 3.24 3hg7A1 GLY 97 H 0.14 0.09 0.12 -0.55 8.43 8.24 3hg7A1 GLY 97 HA2 0.05 -0.05 0.35 -0.51 4.01 3.85 3hg7A1 GLY 97 HA3 0.01 0.24 0.35 -0.51 4.01 4.10 3hg7A1 ILE 98 H -0.34 0.07 -0.38 -0.55 8.25 7.04 3hg7A1 ILE 98 HA -0.16 0.32 0.95 -0.75 4.18 4.54 3hg7A1 ILE 98 HB -0.26 -0.00 0.12 -0.04 1.89 1.70 3hg7A1 ILE 98 HG12 -0.61 -0.01 -0.24 -0.04 1.49 0.58 3hg7A1 ILE 98 HG13 -1.62 0.00 -0.29 -0.04 1.21 -0.74 3hg7A1 ILE 98 HG23 -0.11 0.07 -0.15 -0.04 0.93 0.69 3hg7A1 ILE 98 HD13 -0.22 0.01 -0.14 -0.04 0.88 0.49 3hg7A1 PHE 99 H 0.00 -0.01 -0.16 -0.55 8.34 7.62 3hg7A1 PHE 99 HA 0.03 0.29 0.74 -0.75 4.62 4.93 3hg7A1 PHE 99 HB2 0.02 -0.06 -0.04 -0.04 3.15 3.04 3hg7A1 PHE 99 HB3 0.02 0.05 0.08 -0.04 3.06 3.17 3hg7A1 PHE 99 HD2 0.04 -0.04 -0.11 -0.04 7.28 7.13 3hg7A1 PHE 99 HE2 0.01 0.15 -0.28 -0.04 7.38 7.23 3hg7A1 PHE 99 HZ 0.01 0.02 -0.10 -0.04 7.32 7.21 3hg7A1 GLY 100 H 0.02 0.11 -0.20 -0.55 8.43 7.81 3hg7A1 GLY 100 HA2 0.07 0.03 0.38 -0.51 4.01 3.99 3hg7A1 GLY 100 HA3 -0.04 0.16 0.26 -0.51 4.01 3.88 3hg7A1 PRO 101 HA -0.62 0.10 0.44 -0.51 4.44 3.86 3hg7A1 PRO 101 HB2 -0.14 0.04 -0.04 -0.04 2.28 2.10 3hg7A1 PRO 101 HB3 -0.16 0.09 0.03 -0.04 2.02 1.94 3hg7A1 PRO 101 HG2 -0.15 0.09 0.01 -0.04 2.03 1.94 3hg7A1 PRO 101 HG3 -0.29 0.10 0.02 -0.04 2.03 1.82 3hg7A1 PRO 101 HD2 -0.18 0.06 -0.05 -0.04 3.68 3.47 3hg7A1 PRO 101 HD3 -0.44 0.14 0.05 -0.04 3.65 3.36 3hg7A1 LEU 102 H -0.01 0.11 -0.39 -0.55 8.37 7.54 3hg7A1 LEU 102 HA 0.09 0.09 0.47 -0.75 4.35 4.24 3hg7A1 LEU 102 HB2 0.20 -0.00 0.13 -0.04 1.64 1.92 3hg7A1 LEU 102 HB3 0.21 0.10 0.14 -0.04 1.64 2.05 3hg7A1 LEU 102 HG 0.03 -0.05 0.01 -0.04 1.64 1.59 3hg7A1 LEU 102 HD13 0.34 -0.03 0.04 -0.04 0.93 1.24 3hg7A1 LEU 102 HD23 0.10 0.01 0.03 -0.04 0.89 0.98 3hg7A1 MET 103 H 0.09 0.48 -0.08 -0.55 8.47 8.41 3hg7A1 MET 103 HA 0.14 0.09 0.53 -0.75 4.52 4.52 3hg7A1 MET 103 HB2 0.10 0.09 0.14 -0.04 2.15 2.45 3hg7A1 MET 103 HB3 0.10 -0.02 -0.06 -0.04 2.03 2.01 3hg7A1 MET 103 HG2 0.06 0.01 -0.06 -0.04 2.63 2.60 3hg7A1 MET 103 HG3 0.03 -0.07 -0.05 -0.04 2.56 2.43 3hg7A1 MET 103 HE3 -0.13 -0.01 -0.04 -0.04 2.10 1.88 3hg7A1 SER 104 H 0.11 0.56 -0.09 -0.55 8.46 8.50 3hg7A1 SER 104 HA 0.29 0.00 0.46 -0.75 4.49 4.50 3hg7A1 SER 104 HB2 0.18 0.08 0.10 -0.04 3.95 4.27 3hg7A1 SER 104 HB3 0.16 0.02 -0.08 -0.04 3.93 3.99 3hg7A1 GLU 105 H 0.13 0.49 -0.21 -0.55 8.60 8.46 3hg7A1 GLU 105 HA 0.15 0.03 0.43 -0.75 4.29 4.15 3hg7A1 GLU 105 HB2 0.14 0.15 0.19 -0.04 2.09 2.53 3hg7A1 GLU 105 HB3 0.11 -0.03 0.02 -0.04 1.99 2.05 3hg7A1 GLU 105 HG2 0.07 -0.03 0.02 -0.04 2.34 2.36 3hg7A1 GLU 105 HG3 0.07 0.20 0.11 -0.04 2.34 2.67 3hg7A1 TYR 106 H 0.29 0.48 -0.12 -0.55 8.29 8.39 3hg7A1 TYR 106 HA 0.19 0.04 0.44 -0.75 4.56 4.47 3hg7A1 TYR 106 HB2 0.15 0.18 0.21 -0.04 3.06 3.55 3hg7A1 TYR 106 HB3 0.12 0.05 0.22 -0.04 2.98 3.32 3hg7A1 TYR 106 HD2 0.16 0.06 -0.11 -0.04 7.15 7.22 3hg7A1 TYR 106 HE2 0.16 -0.00 -0.14 -0.04 6.85 6.83 3hg7A1 VAL 107 H 0.24 0.58 -0.09 -0.55 8.24 8.42 3hg7A1 VAL 107 HA -0.25 0.01 0.25 -0.75 4.13 3.39 3hg7A1 VAL 107 HB 0.03 0.07 0.15 -0.04 2.12 2.33 3hg7A1 VAL 107 HG13 -0.97 0.00 -0.16 -0.04 0.97 -0.20 3hg7A1 VAL 107 HG23 -0.13 -0.01 -0.02 -0.04 0.95 0.76 3hg7A1 PHE 108 H 0.30 0.66 -0.08 -0.55 8.34 8.67 3hg7A1 PHE 108 HA -0.09 0.03 0.41 -0.75 4.62 4.22 3hg7A1 PHE 108 HB2 0.03 0.19 0.10 -0.04 3.15 3.43 3hg7A1 PHE 108 HB3 -0.14 -0.02 0.01 -0.04 3.06 2.87 3hg7A1 PHE 108 HD2 -0.26 0.04 0.03 -0.04 7.28 7.06 3hg7A1 PHE 108 HE2 0.01 0.03 -0.03 -0.04 7.38 7.35 3hg7A1 PHE 108 HZ 0.06 -0.01 -0.08 -0.04 7.32 7.25 3hg7A1 GLY 109 H 0.10 0.57 -0.19 -0.55 8.43 8.37 3hg7A1 GLY 109 HA2 -0.01 0.01 0.54 -0.51 4.01 4.05 3hg7A1 GLY 109 HA3 -0.04 0.10 0.34 -0.51 4.01 3.90 3hg7A1 HIS 110 H 0.03 0.59 -0.17 -0.55 8.41 8.31 3hg7A1 HIS 110 HA -0.07 0.02 0.36 -0.75 4.63 4.18 3hg7A1 HIS 110 HB2 0.08 0.17 0.15 -0.04 3.26 3.63 3hg7A1 HIS 110 HB3 -0.06 -0.03 -0.05 -0.04 3.20 3.02 3hg7A1 HIS 110 HD2 -1.16 0.13 0.04 -0.04 6.97 5.93 3hg7A1 HIS 110 HE1 -0.05 0.02 -0.10 -0.04 7.75 7.57 3hg7A1 LEU 111 H 0.08 0.50 -0.13 -0.55 8.37 8.28 3hg7A1 LEU 111 HA 0.10 0.04 0.37 -0.75 4.35 4.12 3hg7A1 LEU 111 HB2 -0.11 0.02 0.06 -0.04 1.64 1.57 3hg7A1 LEU 111 HB3 -0.26 -0.01 0.16 -0.04 1.64 1.48 3hg7A1 LEU 111 HG -0.13 0.00 -0.25 -0.04 1.64 1.23 3hg7A1 LEU 111 HD13 0.00 -0.00 0.01 -0.04 0.93 0.89 3hg7A1 LEU 111 HD23 -0.45 -0.01 -0.07 -0.04 0.89 0.31 3hg7A1 LEU 112 H -0.04 0.67 -0.11 -0.55 8.37 8.34 3hg7A1 LEU 112 HA -0.06 0.03 0.43 -0.75 4.35 3.99 3hg7A1 LEU 112 HB2 -0.05 0.10 0.15 -0.04 1.64 1.80 3hg7A1 LEU 112 HB3 -0.06 -0.05 0.04 -0.04 1.64 1.53 3hg7A1 LEU 112 HG -0.12 0.00 0.07 -0.04 1.64 1.55 3hg7A1 LEU 112 HD13 -0.20 -0.01 -0.03 -0.04 0.93 0.65 3hg7A1 LEU 112 HD23 -0.14 -0.01 0.01 -0.04 0.89 0.71 3hg7A1 SER 113 H -0.05 0.60 -0.22 -0.55 8.46 8.25 3hg7A1 SER 113 HA -0.04 -0.05 0.44 -0.75 4.49 4.09 3hg7A1 SER 113 HB2 -0.10 0.04 0.12 -0.04 3.95 3.97 3hg7A1 SER 113 HB3 -0.07 0.11 0.16 -0.04 3.93 4.09 3hg7A1 LEU 114 H -0.02 0.52 -0.23 -0.55 8.37 8.10 3hg7A1 LEU 114 HA -0.03 -0.01 0.47 -0.75 4.35 4.03 3hg7A1 LEU 114 HB2 -0.02 0.14 0.20 -0.04 1.64 1.92 3hg7A1 LEU 114 HB3 -0.03 0.01 -0.04 -0.04 1.64 1.54 3hg7A1 LEU 114 HG -0.02 0.05 0.05 -0.04 1.64 1.68 3hg7A1 LEU 114 HD13 -0.10 -0.02 -0.10 -0.04 0.93 0.67 3hg7A1 LEU 114 HD23 -0.05 -0.01 -0.02 -0.04 0.89 0.76 3hg7A1 MET 115 H -0.02 0.65 0.08 -0.55 8.47 8.63 3hg7A1 MET 115 HA 0.01 0.05 0.51 -0.75 4.52 4.34 3hg7A1 MET 115 HB2 -0.03 -0.02 0.16 -0.04 2.15 2.23 3hg7A1 MET 115 HB3 0.02 0.03 0.05 -0.04 2.03 2.09 3hg7A1 MET 115 HG2 -0.02 0.11 0.06 -0.04 2.63 2.74 3hg7A1 MET 115 HG3 -0.01 -0.08 -0.05 -0.04 2.56 2.37 3hg7A1 MET 115 HE3 0.05 0.01 -0.06 -0.04 2.10 2.05 3hg7A1 ARG 116 H -0.04 0.49 -0.27 -0.55 8.46 8.09 3hg7A1 ARG 116 HA -0.16 0.15 0.69 -0.75 4.34 4.27 3hg7A1 ARG 116 HB2 -0.09 0.11 0.05 -0.04 1.90 1.93 3hg7A1 ARG 116 HB3 -0.18 -0.07 0.10 -0.04 1.80 1.62 3hg7A1 ARG 116 HG2 -0.12 -0.00 -0.02 -0.04 1.67 1.49 3hg7A1 ARG 116 HG3 -0.18 -0.08 -0.01 -0.04 1.67 1.36 3hg7A1 ARG 116 HD2 -0.88 -0.03 -0.00 -0.04 3.22 2.27 3hg7A1 ARG 116 HD3 -0.34 0.15 -0.18 -0.04 3.22 2.81 3hg7A1 GLN 117 H -0.01 0.29 -0.43 -0.55 8.47 7.77 3hg7A1 GLN 117 HA -0.03 0.06 0.39 -0.75 4.36 4.03 3hg7A1 GLN 117 HB2 0.04 0.11 -0.13 -0.04 2.15 2.13 3hg7A1 GLN 117 HB3 -0.17 -0.16 0.17 -0.04 2.02 1.82 3hg7A1 GLN 117 HG2 -0.03 0.10 0.05 -0.04 2.40 2.48 3hg7A1 GLN 117 HG3 0.04 0.09 -0.26 -0.04 2.39 2.22 3hg7A1 GLN 117 HE21 -0.10 -0.04 0.01 -0.04 6.97 6.80 3hg7A1 GLN 117 HE22 -0.08 -0.00 0.03 -0.04 7.69 7.59 3hg7A1 LEU 118 H 0.01 0.52 0.07 -0.55 8.37 8.43 3hg7A1 LEU 118 HA 0.14 0.08 0.30 -0.75 4.35 4.11 3hg7A1 LEU 118 HB2 -0.01 0.01 0.09 -0.04 1.64 1.69 3hg7A1 LEU 118 HB3 0.01 -0.06 0.05 -0.04 1.64 1.59 3hg7A1 LEU 118 HG -0.03 0.04 0.11 -0.04 1.64 1.73 3hg7A1 LEU 118 HD13 -0.04 -0.02 -0.02 -0.04 0.93 0.81 3hg7A1 LEU 118 HD23 -0.03 0.01 -0.12 -0.04 0.89 0.70 3hg7A1 PRO 119 HA -0.02 0.03 0.45 -0.51 4.44 4.40 3hg7A1 PRO 119 HB2 -0.05 0.08 0.00 -0.04 2.28 2.27 3hg7A1 PRO 119 HB3 -0.02 0.03 0.08 -0.04 2.02 2.06 3hg7A1 PRO 119 HG2 -0.03 0.10 0.00 -0.04 2.03 2.07 3hg7A1 PRO 119 HG3 -0.02 -0.00 0.02 -0.04 2.03 1.98 3hg7A1 PRO 119 HD2 -0.04 0.12 -0.08 -0.04 3.68 3.63 3hg7A1 PRO 119 HD3 -0.02 0.10 0.11 -0.04 3.65 3.79 3hg7A1 LEU 120 H -0.12 0.26 -0.28 -0.55 8.37 7.68 3hg7A1 LEU 120 HA -0.16 0.02 0.45 -0.75 4.35 3.91 3hg7A1 LEU 120 HB2 -0.25 -0.02 0.11 -0.04 1.64 1.44 3hg7A1 LEU 120 HB3 -0.42 0.25 0.19 -0.04 1.64 1.62 3hg7A1 LEU 120 HG -0.34 -0.07 0.03 -0.04 1.64 1.21 3hg7A1 LEU 120 HD13 -0.60 0.01 0.00 -0.04 0.93 0.30 3hg7A1 LEU 120 HD23 -0.89 0.01 -0.26 -0.04 0.89 -0.29 3hg7A1 TYR 121 H -0.12 0.48 -0.07 -0.55 8.29 8.04 3hg7A1 TYR 121 HA -0.03 0.04 0.43 -0.75 4.56 4.24 3hg7A1 TYR 121 HB2 -0.06 0.08 0.17 -0.04 3.06 3.21 3hg7A1 TYR 121 HB3 -0.07 -0.07 0.05 -0.04 2.98 2.85 3hg7A1 TYR 121 HD2 -0.08 0.03 -0.01 -0.04 7.15 7.06 3hg7A1 TYR 121 HE2 -0.03 0.20 0.07 -0.04 6.85 7.05 3hg7A1 ARG 122 H 0.04 0.56 -0.11 -0.55 8.46 8.40 3hg7A1 ARG 122 HA 0.03 -0.01 0.50 -0.75 4.34 4.12 3hg7A1 ARG 122 HB2 0.02 0.02 0.11 -0.04 1.90 2.01 3hg7A1 ARG 122 HB3 0.00 0.14 0.19 -0.04 1.80 2.09 3hg7A1 ARG 122 HG2 0.01 -0.00 -0.12 -0.04 1.67 1.52 3hg7A1 ARG 122 HG3 0.01 -0.04 0.04 -0.04 1.67 1.64 3hg7A1 ARG 122 HD2 0.00 -0.04 -0.01 -0.04 3.22 3.14 3hg7A1 ARG 122 HD3 -0.00 0.02 0.02 -0.04 3.22 3.22 3hg7A1 GLU 123 H -0.03 0.56 -0.11 -0.55 8.60 8.49 3hg7A1 GLU 123 HA -0.00 -0.01 0.50 -0.75 4.29 4.02 3hg7A1 GLU 123 HB2 -0.06 0.14 0.21 -0.04 2.09 2.34 3hg7A1 GLU 123 HB3 -0.03 -0.05 0.06 -0.04 1.99 1.92 3hg7A1 GLU 123 HG2 -0.03 0.17 0.10 -0.04 2.34 2.55 3hg7A1 GLU 123 HG3 -0.04 -0.03 0.02 -0.04 2.34 2.26 3hg7A1 GLN 124 H -0.03 0.67 -0.02 -0.55 8.47 8.55 3hg7A1 GLN 124 HA 0.02 0.00 0.51 -0.75 4.36 4.14 3hg7A1 GLN 124 HB2 0.06 0.07 0.17 -0.04 2.15 2.40 3hg7A1 GLN 124 HB3 0.07 0.13 0.11 -0.04 2.02 2.29 3hg7A1 GLN 124 HG2 0.00 -0.08 0.01 -0.04 2.40 2.29 3hg7A1 GLN 124 HG3 -0.10 0.19 0.04 -0.04 2.39 2.49 3hg7A1 GLN 124 HE21 0.18 0.42 0.12 -0.04 6.97 7.65 3hg7A1 GLN 124 HE22 0.14 0.00 0.05 -0.04 7.69 7.83 3hg7A1 GLN 125 H 0.04 0.43 -0.34 -0.55 8.47 8.06 3hg7A1 GLN 125 HA 0.07 0.00 0.47 -0.75 4.36 4.15 3hg7A1 GLN 125 HB2 0.05 0.08 0.16 -0.04 2.15 2.40 3hg7A1 GLN 125 HB3 0.04 0.16 0.22 -0.04 2.02 2.40 3hg7A1 GLN 125 HG2 0.04 -0.02 -0.11 -0.04 2.40 2.28 3hg7A1 GLN 125 HG3 0.05 -0.05 0.06 -0.04 2.39 2.42 3hg7A1 GLN 125 HE21 0.02 -0.04 -0.01 -0.04 6.97 6.91 3hg7A1 GLN 125 HE22 0.03 -0.02 -0.02 -0.04 7.69 7.65 3hg7A1 LYS 126 H 0.02 0.46 -0.10 -0.55 8.42 8.25 3hg7A1 LYS 126 HA 0.02 -0.01 0.43 -0.75 4.32 4.01 3hg7A1 LYS 126 HB2 0.01 0.20 0.17 -0.04 1.87 2.22 3hg7A1 LYS 126 HB3 0.01 -0.06 0.04 -0.04 1.79 1.74 3hg7A1 LYS 126 HG2 0.01 -0.07 0.07 -0.04 1.46 1.43 3hg7A1 LYS 126 HG3 0.01 0.10 0.10 -0.04 1.46 1.63 3hg7A1 LYS 126 HD2 0.00 0.01 -0.00 -0.04 1.69 1.66 3hg7A1 LYS 126 HD3 0.00 -0.03 0.03 -0.04 1.68 1.64 3hg7A1 LYS 126 HE2 0.01 -0.04 0.01 -0.04 2.99 2.92 3hg7A1 LYS 126 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.93 3hg7A1 GLN 127 H 0.03 0.29 -0.53 -0.55 8.47 7.71 3hg7A1 GLN 127 HA 0.03 0.16 0.91 -0.75 4.36 4.71 3hg7A1 GLN 127 HB2 0.03 -0.05 0.14 -0.04 2.15 2.23 3hg7A1 GLN 127 HB3 0.02 -0.04 0.01 -0.04 2.02 1.97 3hg7A1 GLN 127 HG2 0.02 0.19 0.07 -0.04 2.40 2.63 3hg7A1 GLN 127 HG3 0.04 0.10 0.02 -0.04 2.39 2.51 3hg7A1 GLN 127 HE21 0.01 -0.04 -0.04 -0.04 6.97 6.87 3hg7A1 GLN 127 HE22 0.01 0.03 -0.09 -0.04 7.69 7.59 3hg7A1 ARG 128 H 0.05 0.44 -0.31 -0.55 8.46 8.09 3hg7A1 ARG 128 HA 0.08 0.02 0.32 -0.75 4.34 4.02 3hg7A1 ARG 128 HB2 0.05 0.11 -0.12 -0.04 1.90 1.90 3hg7A1 ARG 128 HB3 0.06 -0.09 0.19 -0.04 1.80 1.92 3hg7A1 ARG 128 HG2 0.05 -0.03 0.03 -0.04 1.67 1.68 3hg7A1 ARG 128 HG3 0.04 0.08 -0.13 -0.04 1.67 1.62 3hg7A1 ARG 128 HD2 0.03 -0.03 -0.01 -0.04 3.22 3.17 3hg7A1 ARG 128 HD3 0.03 -0.06 -0.01 -0.04 3.22 3.14 3hg7A1 LEU 129 H 0.09 0.66 -0.06 -0.55 8.37 8.51 3hg7A1 LEU 129 HA 0.12 0.10 0.78 -0.75 4.35 4.60 3hg7A1 LEU 129 HB2 0.07 0.06 -0.08 -0.04 1.64 1.65 3hg7A1 LEU 129 HB3 0.07 0.00 0.12 -0.04 1.64 1.79 3hg7A1 LEU 129 HG 0.11 -0.03 -0.42 -0.04 1.64 1.25 3hg7A1 LEU 129 HD13 0.08 -0.01 -0.04 -0.04 0.93 0.93 3hg7A1 LEU 129 HD23 0.07 -0.01 -0.06 -0.04 0.89 0.84 3hg7A1 TRP 130 H 0.29 0.20 0.08 -0.55 7.97 8.00 3hg7A1 TRP 130 HA 0.06 0.10 0.73 -0.75 4.62 4.76 3hg7A1 TRP 130 HB2 0.03 0.02 0.04 -0.04 3.23 3.27 3hg7A1 TRP 130 HB3 0.02 -0.01 0.19 -0.04 3.23 3.39 3hg7A1 TRP 130 HD1 0.01 -0.01 -0.18 -0.04 7.22 7.01 3hg7A1 TRP 130 HE1 0.01 -0.02 -0.06 -0.04 10.20 10.09 3hg7A1 TRP 130 HE3 0.02 0.03 -0.04 -0.04 7.59 7.56 3hg7A1 TRP 130 HZ2 0.00 -0.01 -0.03 -0.04 7.44 7.36 3hg7A1 TRP 130 HZ3 0.00 -0.01 -0.02 -0.04 7.13 7.06 3hg7A1 TRP 130 HH2 -0.00 -0.02 -0.02 -0.04 7.19 7.11 3hg7A1 GLN 131 H -0.08 0.27 -0.03 -0.55 8.47 8.08 3hg7A1 GLN 131 HA 0.02 0.04 0.56 -0.75 4.36 4.23 3hg7A1 GLN 131 HB2 0.07 0.07 -0.22 -0.04 2.15 2.03 3hg7A1 GLN 131 HB3 0.07 -0.02 -0.08 -0.04 2.02 1.96 3hg7A1 GLN 131 HG2 -0.06 -0.05 -0.08 -0.04 2.40 2.16 3hg7A1 GLN 131 HG3 -0.52 0.11 -0.38 -0.04 2.39 1.56 3hg7A1 GLN 131 HE21 -0.05 -0.11 0.06 -0.04 6.97 6.83 3hg7A1 GLN 131 HE22 -0.24 0.67 0.11 -0.04 7.69 8.19 3hg7A1 SER 132 H -0.10 0.10 0.10 -0.55 8.46 8.01 3hg7A1 SER 132 HA 0.11 0.14 0.72 -0.75 4.49 4.71 3hg7A1 SER 132 HB2 -0.12 -0.04 0.05 -0.04 3.95 3.80 3hg7A1 SER 132 HB3 -0.03 -0.02 0.03 -0.04 3.93 3.86 3hg7A1 HIS 133 H 0.32 0.22 0.18 -0.55 8.41 8.59 3hg7A1 HIS 133 HA 0.06 0.14 0.80 -0.75 4.63 4.88 3hg7A1 HIS 133 HB2 0.07 0.03 -0.00 -0.04 3.26 3.32 3hg7A1 HIS 133 HB3 0.03 0.06 0.07 -0.04 3.20 3.31 3hg7A1 HIS 133 HD2 -0.13 0.04 -0.08 -0.04 6.97 6.75 3hg7A1 HIS 133 HE1 -0.02 -0.04 -0.08 -0.04 7.75 7.56 3hg7A1 PRO 134 HA 0.02 0.01 0.46 -0.51 4.44 4.42 3hg7A1 PRO 134 HB2 0.05 0.05 -0.06 -0.04 2.28 2.27 3hg7A1 PRO 134 HB3 0.01 0.00 0.10 -0.04 2.02 2.09 3hg7A1 PRO 134 HG2 0.06 0.04 0.09 -0.04 2.03 2.18 3hg7A1 PRO 134 HG3 0.03 0.01 0.08 -0.04 2.03 2.12 3hg7A1 PRO 134 HD2 0.16 0.10 0.22 -0.04 3.68 4.12 3hg7A1 PRO 134 HD3 0.06 0.12 0.16 -0.04 3.65 3.94 3hg7A1 TYR 135 H -0.19 0.22 0.29 -0.55 8.29 8.06 3hg7A1 TYR 135 HA 0.03 0.15 0.54 -0.75 4.56 4.52 3hg7A1 TYR 135 HB2 0.03 0.19 0.25 -0.04 3.06 3.49 3hg7A1 TYR 135 HB3 0.07 0.12 -0.07 -0.04 2.98 3.06 3hg7A1 TYR 135 HD2 0.04 0.18 -0.18 -0.04 7.15 7.14 3hg7A1 TYR 135 HE2 -0.00 -0.06 -0.08 -0.04 6.85 6.67 3hg7A1 GLN 136 H 0.20 0.30 0.22 -0.55 8.47 8.63 3hg7A1 GLN 136 HA -0.02 0.13 0.91 -0.75 4.36 4.63 3hg7A1 GLN 136 HB2 0.06 0.02 0.05 -0.04 2.15 2.24 3hg7A1 GLN 136 HB3 0.04 0.07 0.12 -0.04 2.02 2.20 3hg7A1 GLN 136 HG2 -0.01 0.07 -0.14 -0.04 2.40 2.28 3hg7A1 GLN 136 HG3 0.03 -0.01 -0.13 -0.04 2.39 2.24 3hg7A1 GLN 136 HE21 0.00 -0.02 -0.01 -0.04 6.97 6.90 3hg7A1 GLN 136 HE22 -0.00 -0.01 -0.04 -0.04 7.69 7.60 3hg7A1 GLY 137 H 0.05 0.09 0.15 -0.55 8.43 8.18 3hg7A1 GLY 137 HA2 0.13 0.14 0.73 -0.51 4.01 4.51 3hg7A1 GLY 137 HA3 0.09 -0.03 0.37 -0.51 4.01 3.94 3hg7A1 LEU 138 H 0.09 0.12 0.16 -0.55 8.37 8.18 3hg7A1 LEU 138 HA 0.06 0.14 0.60 -0.75 4.35 4.40 3hg7A1 LEU 138 HB2 0.13 0.04 0.12 -0.04 1.64 1.90 3hg7A1 LEU 138 HB3 0.13 -0.00 0.03 -0.04 1.64 1.76 3hg7A1 LEU 138 HG -0.01 -0.02 0.02 -0.04 1.64 1.59 3hg7A1 LEU 138 HD13 -0.12 -0.01 -0.01 -0.04 0.93 0.75 3hg7A1 LEU 138 HD23 -0.00 0.02 -0.08 -0.04 0.89 0.78 3hg7A1 LYS 139 H 0.08 -0.08 -0.17 -0.55 8.42 7.70 3hg7A1 LYS 139 HA 0.06 0.16 0.30 -0.75 4.32 4.09 3hg7A1 LYS 139 HB2 0.04 -0.02 0.05 -0.04 1.87 1.89 3hg7A1 LYS 139 HB3 0.03 0.03 0.08 -0.04 1.79 1.89 3hg7A1 LYS 139 HG2 0.05 0.05 0.06 -0.04 1.46 1.58 3hg7A1 LYS 139 HG3 0.07 -0.15 0.13 -0.04 1.46 1.47 3hg7A1 LYS 139 HD2 0.05 -0.07 0.05 -0.04 1.69 1.68 3hg7A1 LYS 139 HD3 0.03 0.02 0.03 -0.04 1.68 1.72 3hg7A1 LYS 139 HE2 0.02 -0.00 0.02 -0.04 2.99 2.98 3hg7A1 LYS 139 HE3 0.02 0.04 0.02 -0.04 2.99 3.03 3hg7A1 GLY 140 H 0.05 0.76 0.30 -0.55 8.43 8.99 3hg7A1 GLY 140 HA2 0.03 -0.02 0.43 -0.51 4.01 3.94 3hg7A1 GLY 140 HA3 0.03 0.00 0.38 -0.51 4.01 3.91 3hg7A1 ARG 141 H 0.05 0.52 -0.31 -0.55 8.46 8.17 3hg7A1 ARG 141 HA 0.03 0.09 0.64 -0.75 4.34 4.35 3hg7A1 ARG 141 HB2 0.05 -0.04 -0.01 -0.04 1.90 1.86 3hg7A1 ARG 141 HB3 0.03 -0.08 0.09 -0.04 1.80 1.80 3hg7A1 ARG 141 HG2 0.04 0.11 -0.30 -0.04 1.67 1.48 3hg7A1 ARG 141 HG3 0.04 -0.08 0.04 -0.04 1.67 1.64 3hg7A1 ARG 141 HD2 0.03 -0.03 -0.04 -0.04 3.22 3.13 3hg7A1 ARG 141 HD3 0.03 0.08 -0.04 -0.04 3.22 3.26 3hg7A1 THR 142 H 0.04 0.15 0.24 -0.55 8.28 8.16 3hg7A1 THR 142 HA 0.05 0.18 0.92 -0.75 4.39 4.79 3hg7A1 THR 142 HB 0.05 -0.03 -0.10 -0.04 4.32 4.20 3hg7A1 THR 142 HG23 0.04 -0.00 0.01 -0.04 1.22 1.23 3hg7A1 LEU 143 H 0.06 0.92 0.39 -0.55 8.37 9.19 3hg7A1 LEU 143 HA 0.04 0.15 0.87 -0.75 4.35 4.66 3hg7A1 LEU 143 HB2 0.06 0.00 0.05 -0.04 1.64 1.71 3hg7A1 LEU 143 HB3 0.06 0.02 0.24 -0.04 1.64 1.92 3hg7A1 LEU 143 HG 0.05 -0.06 -0.29 -0.04 1.64 1.30 3hg7A1 LEU 143 HD13 -0.06 0.02 -0.12 -0.04 0.93 0.73 3hg7A1 LEU 143 HD23 0.12 -0.02 -0.08 -0.04 0.89 0.87 3hg7A1 LEU 144 H 0.07 0.75 0.38 -0.55 8.37 9.02 3hg7A1 LEU 144 HA 0.14 0.26 0.93 -0.75 4.35 4.93 3hg7A1 LEU 144 HB2 0.09 0.09 -0.02 -0.04 1.64 1.76 3hg7A1 LEU 144 HB3 0.11 -0.00 0.18 -0.04 1.64 1.89 3hg7A1 LEU 144 HG 0.15 -0.13 -0.44 -0.04 1.64 1.17 3hg7A1 LEU 144 HD13 0.14 0.04 -0.22 -0.04 0.93 0.84 3hg7A1 LEU 144 HD23 0.11 0.01 -0.27 -0.04 0.89 0.70 3hg7A1 ILE 145 H 0.23 0.69 0.30 -0.55 8.25 8.93 3hg7A1 ILE 145 HA 0.14 0.19 1.08 -0.75 4.18 4.82 3hg7A1 ILE 145 HB 0.51 -0.02 0.07 -0.04 1.89 2.40 3hg7A1 ILE 145 HG12 0.08 -0.00 -0.18 -0.04 1.49 1.34 3hg7A1 ILE 145 HG13 0.11 -0.00 -0.39 -0.04 1.21 0.89 3hg7A1 ILE 145 HG23 0.20 -0.01 -0.13 -0.04 0.93 0.95 3hg7A1 ILE 145 HD13 -0.04 0.01 -0.21 -0.04 0.88 0.59 3hg7A1 LEU 146 H 0.14 0.76 0.32 -0.55 8.37 9.04 3hg7A1 LEU 146 HA 0.10 0.09 0.88 -0.75 4.35 4.65 3hg7A1 LEU 146 HB2 0.13 -0.23 0.28 -0.04 1.64 1.78 3hg7A1 LEU 146 HB3 0.11 -0.00 0.03 -0.04 1.64 1.73 3hg7A1 LEU 146 HG 0.22 0.08 -0.13 -0.04 1.64 1.77 3hg7A1 LEU 146 HD13 0.30 -0.00 -0.06 -0.04 0.93 1.12 3hg7A1 LEU 146 HD23 0.15 0.01 -0.31 -0.04 0.89 0.70 3hg7A1 GLY 147 H 0.04 0.59 0.14 -0.55 8.43 8.65 3hg7A1 GLY 147 HA2 0.03 -0.04 0.44 -0.51 4.01 3.93 3hg7A1 GLY 147 HA3 0.07 0.21 0.81 -0.51 4.01 4.58 3hg7A1 THR 148 H 0.01 0.13 0.14 -0.55 8.28 8.00 3hg7A1 THR 148 HA 0.07 0.25 0.77 -0.75 4.39 4.73 3hg7A1 THR 148 HB -0.51 0.08 -0.09 -0.04 4.32 3.76 3hg7A1 THR 148 HG23 -0.10 0.00 -0.07 -0.04 1.22 1.02 3hg7A1 GLY 149 H 0.08 0.02 -0.08 -0.55 8.43 7.90 3hg7A1 GLY 149 HA2 0.07 0.24 0.44 -0.51 4.01 4.24 3hg7A1 GLY 149 HA3 0.08 -0.02 0.38 -0.51 4.01 3.94 3hg7A1 SER 150 H 0.09 0.16 0.15 -0.55 8.46 8.32 3hg7A1 SER 150 HA 0.13 0.21 0.30 -0.75 4.49 4.37 3hg7A1 SER 150 HB2 0.09 0.10 0.09 -0.04 3.95 4.20 3hg7A1 SER 150 HB3 0.08 0.10 0.15 -0.04 3.93 4.21 3hg7A1 ILE 151 H 0.13 0.02 -0.24 -0.55 8.25 7.61 3hg7A1 ILE 151 HA 0.15 0.06 0.40 -0.75 4.18 4.03 3hg7A1 ILE 151 HB 0.10 -0.02 0.00 -0.04 1.89 1.94 3hg7A1 ILE 151 HG12 0.18 -0.03 -0.24 -0.04 1.49 1.36 3hg7A1 ILE 151 HG13 0.15 -0.14 -0.04 -0.04 1.21 1.14 3hg7A1 ILE 151 HG23 0.09 0.05 -0.19 -0.04 0.93 0.84 3hg7A1 ILE 151 HD13 0.06 0.04 -0.05 -0.04 0.88 0.89 3hg7A1 GLY 152 H 0.16 -0.05 -0.33 -0.55 8.43 7.67 3hg7A1 GLY 152 HA2 0.19 0.05 0.25 -0.51 4.01 4.00 3hg7A1 GLY 152 HA3 0.30 0.31 0.16 -0.51 4.01 4.27 3hg7A1 GLN 153 H 0.25 0.54 -0.36 -0.55 8.47 8.36 3hg7A1 GLN 153 HA 0.09 0.12 0.38 -0.75 4.36 4.20 3hg7A1 GLN 153 HB2 0.20 -0.05 0.04 -0.04 2.15 2.30 3hg7A1 GLN 153 HB3 0.24 -0.02 -0.06 -0.04 2.02 2.14 3hg7A1 GLN 153 HG2 0.33 0.19 0.01 -0.04 2.40 2.89 3hg7A1 GLN 153 HG3 0.37 0.08 -0.05 -0.04 2.39 2.75 3hg7A1 GLN 153 HE21 0.10 -0.14 -0.05 -0.04 6.97 6.84 3hg7A1 GLN 153 HE22 0.13 0.64 0.14 -0.04 7.69 8.56 3hg7A1 HIS 154 H 0.23 0.40 -0.26 -0.55 8.41 8.24 3hg7A1 HIS 154 HA 0.13 0.05 0.35 -0.75 4.63 4.41 3hg7A1 HIS 154 HB2 0.07 0.06 0.12 -0.04 3.26 3.47 3hg7A1 HIS 154 HB3 0.08 0.07 0.04 -0.04 3.20 3.34 3hg7A1 HIS 154 HD2 -0.02 0.02 -0.04 -0.04 6.97 6.89 3hg7A1 HIS 154 HE1 -0.03 0.05 -0.04 -0.04 7.75 7.68 3hg7A1 ILE 155 H 0.17 0.49 -0.17 -0.55 8.25 8.18 3hg7A1 ILE 155 HA 0.22 -0.02 0.32 -0.75 4.18 3.94 3hg7A1 ILE 155 HB 0.10 0.14 0.01 -0.04 1.89 2.10 3hg7A1 ILE 155 HG12 0.16 -0.02 -0.21 -0.04 1.49 1.39 3hg7A1 ILE 155 HG13 0.16 0.03 -0.03 -0.04 1.21 1.33 3hg7A1 ILE 155 HG23 0.15 -0.01 -0.12 -0.04 0.93 0.92 3hg7A1 ILE 155 HD13 0.08 -0.03 -0.20 -0.04 0.88 0.69 3hg7A1 ALA 156 H -0.10 0.40 -0.44 -0.55 8.40 7.71 3hg7A1 ALA 156 HA -0.24 0.01 0.47 -0.75 4.34 3.83 3hg7A1 ALA 156 HB3 -0.90 0.09 -0.08 -0.04 1.41 0.48 3hg7A1 HIS 157 H -0.10 0.55 -0.01 -0.55 8.41 8.31 3hg7A1 HIS 157 HA -0.12 0.03 0.44 -0.75 4.63 4.23 3hg7A1 HIS 157 HB2 -0.32 0.08 0.13 -0.04 3.26 3.11 3hg7A1 HIS 157 HB3 -0.21 -0.03 -0.01 -0.04 3.20 2.90 3hg7A1 HIS 157 HD2 -0.08 0.02 -0.00 -0.04 6.97 6.86 3hg7A1 HIS 157 HE1 -0.01 -0.04 -0.26 -0.04 7.75 7.40 3hg7A1 THR 158 H -0.08 0.48 -0.24 -0.55 8.28 7.89 3hg7A1 THR 158 HA -0.18 0.03 0.51 -0.75 4.39 4.00 3hg7A1 THR 158 HB -0.36 0.08 0.07 -0.04 4.32 4.06 3hg7A1 THR 158 HG23 -0.56 -0.01 -0.05 -0.04 1.22 0.56 3hg7A1 GLY 159 H 0.08 0.56 -0.10 -0.55 8.43 8.42 3hg7A1 GLY 159 HA2 0.48 -0.01 0.43 -0.51 4.01 4.40 3hg7A1 GLY 159 HA3 0.25 0.08 0.29 -0.51 4.01 4.12 3hg7A1 LYS 160 H -0.02 0.61 -0.09 -0.55 8.42 8.36 3hg7A1 LYS 160 HA 0.01 0.20 0.44 -0.75 4.32 4.21 3hg7A1 LYS 160 HB2 -0.09 0.09 0.18 -0.04 1.87 2.00 3hg7A1 LYS 160 HB3 -0.04 -0.06 0.01 -0.04 1.79 1.66 3hg7A1 LYS 160 HG2 -0.04 0.05 0.06 -0.04 1.46 1.49 3hg7A1 LYS 160 HG3 -0.10 0.05 0.04 -0.04 1.46 1.41 3hg7A1 LYS 160 HD2 -0.03 -0.07 -0.00 -0.04 1.69 1.55 3hg7A1 LYS 160 HD3 -0.02 -0.02 0.04 -0.04 1.68 1.63 3hg7A1 LYS 160 HE2 -0.00 -0.06 0.02 -0.04 2.99 2.90 3hg7A1 LYS 160 HE3 0.00 0.14 0.02 -0.04 2.99 3.12 3hg7A1 HIS 161 H 0.01 0.53 -0.20 -0.55 8.41 8.21 3hg7A1 HIS 161 HA -0.15 -0.02 0.45 -0.75 4.63 4.16 3hg7A1 HIS 161 HB2 -0.21 -0.02 0.14 -0.04 3.26 3.14 3hg7A1 HIS 161 HB3 -0.37 0.19 0.20 -0.04 3.20 3.18 3hg7A1 HIS 161 HD2 -1.70 0.01 -0.16 -0.04 6.97 5.08 3hg7A1 HIS 161 HE1 -0.18 -0.03 0.00 -0.04 7.75 7.50 3hg7A1 PHE 162 H 0.08 0.43 -0.30 -0.55 8.34 8.00 3hg7A1 PHE 162 HA -0.12 0.07 0.60 -0.75 4.62 4.42 3hg7A1 PHE 162 HB2 0.14 0.08 0.14 -0.04 3.15 3.47 3hg7A1 PHE 162 HB3 0.12 -0.11 0.13 -0.04 3.06 3.16 3hg7A1 PHE 162 HD2 -0.21 0.08 -0.01 -0.04 7.28 7.10 3hg7A1 PHE 162 HE2 -0.11 -0.04 -0.03 -0.04 7.38 7.15 3hg7A1 PHE 162 HZ 0.05 -0.04 -0.04 -0.04 7.32 7.25 3hg7A1 GLY 163 H -0.00 0.46 -0.58 -0.55 8.43 7.76 3hg7A1 GLY 163 HA2 -0.00 0.07 0.30 -0.51 4.01 3.87 3hg7A1 GLY 163 HA3 0.02 -0.05 0.37 -0.51 4.01 3.84 3hg7A1 MET 164 H 0.12 0.45 -0.20 -0.55 8.47 8.28 3hg7A1 MET 164 HA 0.07 0.12 0.71 -0.75 4.52 4.67 3hg7A1 MET 164 HB2 0.15 -0.09 -0.13 -0.04 2.15 2.03 3hg7A1 MET 164 HB3 0.09 0.09 -0.01 -0.04 2.03 2.15 3hg7A1 MET 164 HG2 0.09 0.07 -0.05 -0.04 2.63 2.70 3hg7A1 MET 164 HG3 0.18 0.01 -0.17 -0.04 2.56 2.53 3hg7A1 MET 164 HE3 0.01 -0.01 -0.21 -0.04 2.10 1.85 3hg7A1 LYS 165 H 0.05 0.52 0.17 -0.55 8.42 8.61 3hg7A1 LYS 165 HA 0.04 0.05 0.71 -0.75 4.32 4.36 3hg7A1 LYS 165 HB2 0.05 -0.00 0.05 -0.04 1.87 1.93 3hg7A1 LYS 165 HB3 0.06 -0.06 0.00 -0.04 1.79 1.75 3hg7A1 LYS 165 HG2 0.03 -0.01 0.02 -0.04 1.46 1.46 3hg7A1 LYS 165 HG3 0.04 0.13 -0.03 -0.04 1.46 1.55 3hg7A1 LYS 165 HD2 0.03 -0.02 0.00 -0.04 1.69 1.67 3hg7A1 LYS 165 HD3 0.04 0.06 -0.01 -0.04 1.68 1.72 3hg7A1 LYS 165 HE2 0.05 -0.02 -0.02 -0.04 2.99 2.96 3hg7A1 LYS 165 HE3 0.06 -0.00 -0.05 -0.04 2.99 2.96 3hg7A1 VAL 166 H 0.04 0.14 0.15 -0.55 8.24 8.02 3hg7A1 VAL 166 HA 0.06 0.35 1.12 -0.75 4.13 4.91 3hg7A1 VAL 166 HB -0.08 -0.03 0.25 -0.04 2.12 2.22 3hg7A1 VAL 166 HG13 -0.18 -0.03 -0.09 -0.04 0.97 0.62 3hg7A1 VAL 166 HG23 -0.01 0.08 -0.21 -0.04 0.95 0.76 3hg7A1 LEU 167 H 0.14 0.78 0.37 -0.55 8.37 9.11 3hg7A1 LEU 167 HA 0.24 0.18 1.09 -0.75 4.35 5.11 3hg7A1 LEU 167 HB2 0.17 -0.00 0.08 -0.04 1.64 1.85 3hg7A1 LEU 167 HB3 0.28 -0.01 0.02 -0.04 1.64 1.89 3hg7A1 LEU 167 HG 0.12 -0.00 -0.18 -0.04 1.64 1.54 3hg7A1 LEU 167 HD13 0.08 0.01 -0.09 -0.04 0.93 0.89 3hg7A1 LEU 167 HD23 0.23 -0.00 -0.11 -0.04 0.89 0.97 3hg7A1 GLY 168 H 0.20 0.64 0.46 -0.55 8.43 9.18 3hg7A1 GLY 168 HA2 0.24 0.31 1.06 -0.51 4.01 5.10 3hg7A1 GLY 168 HA3 -0.37 -0.02 0.33 -0.51 4.01 3.44 3hg7A1 VAL 169 H 0.02 0.56 0.38 -0.55 8.24 8.65 3hg7A1 VAL 169 HA 0.05 0.29 0.72 -0.75 4.13 4.44 3hg7A1 VAL 169 HB 0.09 0.04 -0.03 -0.04 2.12 2.18 3hg7A1 VAL 169 HG13 0.06 -0.05 -0.26 -0.04 0.97 0.68 3hg7A1 VAL 169 HG23 0.11 0.01 -0.37 -0.04 0.95 0.65 3hg7A1 SER 170 H 0.01 0.04 0.17 -0.55 8.46 8.13 3hg7A1 SER 170 HA -0.02 0.09 0.86 -0.75 4.49 4.66 3hg7A1 SER 170 HB2 -0.12 0.10 -0.52 -0.04 3.95 3.38 3hg7A1 SER 170 HB3 -0.06 -0.05 0.02 -0.04 3.93 3.80 3hg7A1 ARG 171 H -0.00 0.21 0.25 -0.55 8.46 8.36 3hg7A1 ARG 171 HA -0.01 -0.16 0.37 -0.75 4.34 3.78 3hg7A1 ARG 171 HB2 0.01 -0.08 0.21 -0.04 1.90 2.00 3hg7A1 ARG 171 HB3 0.01 0.03 0.28 -0.04 1.80 2.07 3hg7A1 ARG 171 HG2 0.00 0.05 -0.11 -0.04 1.67 1.58 3hg7A1 ARG 171 HG3 -0.00 0.03 -0.14 -0.04 1.67 1.52 3hg7A1 ARG 171 HD2 0.01 -0.06 0.02 -0.04 3.22 3.16 3hg7A1 ARG 171 HD3 0.00 0.07 -0.03 -0.04 3.22 3.23 3hg7A1 SER 172 H -0.01 0.13 0.03 -0.55 8.46 8.07 3hg7A1 SER 172 HA -0.01 0.12 0.33 -0.75 4.49 4.17 3hg7A1 SER 172 HB2 -0.02 0.16 -0.42 -0.04 3.95 3.62 3hg7A1 SER 172 HB3 -0.04 0.04 -0.26 -0.04 3.93 3.63 3hg7A1 GLY 173 H -0.03 0.01 0.02 -0.55 8.43 7.88 3hg7A1 GLY 173 HA2 -0.03 -0.01 0.29 -0.51 4.01 3.74 3hg7A1 GLY 173 HA3 -0.03 0.14 0.28 -0.51 4.01 3.90 3hg7A1 ARG 174 H -0.04 0.38 -0.06 -0.55 8.46 8.19 3hg7A1 ARG 174 HA -0.04 -0.02 0.19 -0.75 4.34 3.71 3hg7A1 ARG 174 HB2 -0.03 0.03 0.09 -0.04 1.90 1.96 3hg7A1 ARG 174 HB3 -0.04 -0.04 -0.12 -0.04 1.80 1.56 3hg7A1 ARG 174 HG2 -0.02 0.22 -0.06 -0.04 1.67 1.76 3hg7A1 ARG 174 HG3 -0.02 -0.04 0.07 -0.04 1.67 1.63 3hg7A1 ARG 174 HD2 -0.01 -0.01 0.02 -0.04 3.22 3.18 3hg7A1 ARG 174 HD3 -0.01 -0.05 -0.02 -0.04 3.22 3.11 3hg7A1 GLU 175 H -0.05 0.08 0.12 -0.55 8.60 8.20 3hg7A1 GLU 175 HA -0.08 0.04 0.68 -0.75 4.29 4.18 3hg7A1 GLU 175 HB2 -0.02 -0.04 0.15 -0.04 2.09 2.13 3hg7A1 GLU 175 HB3 -0.02 0.11 -0.00 -0.04 1.99 2.04 3hg7A1 GLU 175 HG2 -0.07 -0.03 0.10 -0.04 2.34 2.30 3hg7A1 GLU 175 HG3 -0.04 0.02 0.06 -0.04 2.34 2.34 3hg7A1 ARG 176 H -0.04 0.16 0.12 -0.55 8.46 8.14 3hg7A1 ARG 176 HA 0.05 0.18 0.86 -0.75 4.34 4.67 3hg7A1 ARG 176 HB2 -0.08 -0.01 -0.00 -0.04 1.90 1.77 3hg7A1 ARG 176 HB3 0.17 0.07 0.01 -0.04 1.80 2.01 3hg7A1 ARG 176 HG2 0.05 0.03 0.01 -0.04 1.67 1.71 3hg7A1 ARG 176 HG3 0.04 0.01 0.03 -0.04 1.67 1.71 3hg7A1 ARG 176 HD2 -0.05 0.04 -0.60 -0.04 3.22 2.57 3hg7A1 ARG 176 HD3 -0.07 -0.04 -0.16 -0.04 3.22 2.91 3hg7A1 ALA 177 H 0.12 0.09 0.10 -0.55 8.40 8.17 3hg7A1 ALA 177 HA 0.07 0.09 0.36 -0.75 4.34 4.11 3hg7A1 ALA 177 HB3 0.18 0.01 0.07 -0.04 1.41 1.63 3hg7A1 GLY 178 H -0.11 0.18 0.09 -0.55 8.43 8.04 3hg7A1 GLY 178 HA2 -0.65 0.02 0.26 -0.51 4.01 3.13 3hg7A1 GLY 178 HA3 -0.81 0.12 0.53 -0.51 4.01 3.34 3hg7A1 PHE 179 H 0.18 0.33 -0.52 -0.55 8.34 7.79 3hg7A1 PHE 179 HA -0.03 0.14 0.74 -0.75 4.62 4.71 3hg7A1 PHE 179 HB2 -0.03 0.02 -0.03 -0.04 3.15 3.07 3hg7A1 PHE 179 HB3 -0.01 0.06 -0.15 -0.04 3.06 2.92 3hg7A1 PHE 179 HD2 0.01 0.06 -0.40 -0.04 7.28 6.90 3hg7A1 PHE 179 HE2 0.04 -0.00 -0.17 -0.04 7.38 7.20 3hg7A1 PHE 179 HZ 0.05 -0.05 -0.26 -0.04 7.32 7.02 3hg7A1 ASP 180 H 0.07 0.44 0.32 -0.55 8.40 8.68 3hg7A1 ASP 180 HA 0.03 0.03 0.57 -0.75 4.63 4.50 3hg7A1 ASP 180 HB2 0.08 0.14 0.21 -0.04 2.71 3.10 3hg7A1 ASP 180 HB3 0.05 -0.03 0.04 -0.04 2.70 2.72 3hg7A1 GLN 181 H 0.11 0.35 0.13 -0.55 8.47 8.52 3hg7A1 GLN 181 HA -0.09 0.11 0.56 -0.75 4.36 4.18 3hg7A1 GLN 181 HB2 -0.02 0.10 -0.18 -0.04 2.15 2.01 3hg7A1 GLN 181 HB3 0.04 -0.05 -0.00 -0.04 2.02 1.96 3hg7A1 GLN 181 HG2 -1.16 -0.04 -0.11 -0.04 2.40 1.04 3hg7A1 GLN 181 HG3 -0.60 0.01 0.03 -0.04 2.39 1.78 3hg7A1 GLN 181 HE21 0.02 -0.00 -0.00 -0.04 6.97 6.95 3hg7A1 GLN 181 HE22 0.17 -0.02 -0.04 -0.04 7.69 7.76 3hg7A1 VAL 182 H -0.23 0.23 0.14 -0.55 8.24 7.83 3hg7A1 VAL 182 HA -0.13 0.15 1.02 -0.75 4.13 4.42 3hg7A1 VAL 182 HB -0.17 0.11 0.01 -0.04 2.12 2.03 3hg7A1 VAL 182 HG13 -0.21 -0.02 -0.25 -0.04 0.97 0.44 3hg7A1 VAL 182 HG23 -0.31 -0.01 -0.05 -0.04 0.95 0.54 3hg7A1 TYR 183 H 0.07 0.89 0.33 -0.55 8.29 9.03 3hg7A1 TYR 183 HA -0.02 0.20 0.90 -0.75 4.56 4.89 3hg7A1 TYR 183 HB2 0.00 0.08 0.02 -0.04 3.06 3.12 3hg7A1 TYR 183 HB3 -0.00 -0.15 0.18 -0.04 2.98 2.96 3hg7A1 TYR 183 HD2 0.01 0.01 -0.04 -0.04 7.15 7.09 3hg7A1 TYR 183 HE2 0.02 0.02 -0.07 -0.04 6.85 6.78 3hg7A1 GLN 184 H 0.17 0.24 0.22 -0.55 8.47 8.56 3hg7A1 GLN 184 HA 0.04 -0.15 0.97 -0.75 4.36 4.47 3hg7A1 GLN 184 HB2 0.05 0.09 0.09 -0.04 2.15 2.35 3hg7A1 GLN 184 HB3 0.03 0.07 0.09 -0.04 2.02 2.17 3hg7A1 GLN 184 HG2 0.01 0.14 0.03 -0.04 2.40 2.54 3hg7A1 GLN 184 HG3 0.01 -0.21 0.25 -0.04 2.39 2.39 3hg7A1 GLN 184 HE21 -0.04 0.38 -0.11 -0.04 6.97 7.15 3hg7A1 GLN 184 HE22 0.02 0.01 -0.05 -0.04 7.69 7.63 3hg7A1 LEU 185 H 0.03 0.17 0.11 -0.55 8.37 8.13 3hg7A1 LEU 185 HA 0.04 0.03 0.13 -0.75 4.35 3.79 3hg7A1 LEU 185 HB2 0.03 -0.00 0.10 -0.04 1.64 1.73 3hg7A1 LEU 185 HB3 0.03 0.08 0.06 -0.04 1.64 1.77 3hg7A1 LEU 185 HG 0.05 -0.04 0.01 -0.04 1.64 1.62 3hg7A1 LEU 185 HD13 0.02 0.03 -0.02 -0.04 0.93 0.92 3hg7A1 LEU 185 HD23 0.09 0.00 -0.10 -0.04 0.89 0.84 3hg7A1 PRO 186 HA 0.00 0.10 0.51 -0.51 4.44 4.54 3hg7A1 PRO 186 HB2 0.01 0.02 0.03 -0.04 2.28 2.30 3hg7A1 PRO 186 HB3 0.00 0.07 0.09 -0.04 2.02 2.15 3hg7A1 PRO 186 HG2 0.02 0.05 0.03 -0.04 2.03 2.09 3hg7A1 PRO 186 HG3 0.01 0.08 0.06 -0.04 2.03 2.14 3hg7A1 PRO 186 HD2 0.03 -0.06 -0.25 -0.04 3.68 3.36 3hg7A1 PRO 186 HD3 0.02 0.10 0.08 -0.04 3.65 3.81 3hg7A1 ALA 187 H 0.02 0.47 -0.12 -0.55 8.40 8.22 3hg7A1 ALA 187 HA -0.07 0.10 0.45 -0.75 4.34 4.06 3hg7A1 ALA 187 HB3 -0.08 -0.00 0.11 -0.04 1.41 1.40 3hg7A1 LEU 188 H -0.02 0.61 -0.51 -0.55 8.37 7.89 3hg7A1 LEU 188 HA -0.01 -0.01 0.14 -0.75 4.35 3.71 3hg7A1 LEU 188 HB2 0.05 0.09 0.11 -0.04 1.64 1.84 3hg7A1 LEU 188 HB3 -0.04 0.02 0.07 -0.04 1.64 1.66 3hg7A1 LEU 188 HG 0.09 0.06 -0.17 -0.04 1.64 1.58 3hg7A1 LEU 188 HD13 0.09 -0.03 -0.12 -0.04 0.93 0.83 3hg7A1 LEU 188 HD23 0.22 -0.01 -0.07 -0.04 0.89 0.99 3hg7A1 ASN 189 H -0.18 0.20 -0.04 -0.55 8.53 7.96 3hg7A1 ASN 189 HA -0.25 0.13 0.38 -0.75 4.76 4.27 3hg7A1 ASN 189 HB2 -0.18 -0.03 0.09 -0.04 2.88 2.72 3hg7A1 ASN 189 HB3 -0.17 0.09 -0.01 -0.04 2.79 2.65 3hg7A1 ASN 189 HD21 -0.34 -0.04 -0.06 -0.04 7.03 6.55 3hg7A1 ASN 189 HD22 -0.19 0.02 0.00 -0.04 7.74 7.53 3hg7A1 LYS 190 H -0.11 0.08 -0.24 -0.55 8.42 7.60 3hg7A1 LYS 190 HA -0.08 0.09 0.53 -0.75 4.32 4.11 3hg7A1 LYS 190 HB2 -0.13 0.03 0.11 -0.04 1.87 1.85 3hg7A1 LYS 190 HB3 -0.13 0.01 -0.02 -0.04 1.79 1.60 3hg7A1 LYS 190 HG2 -0.07 0.01 0.02 -0.04 1.46 1.38 3hg7A1 LYS 190 HG3 -0.08 0.01 0.01 -0.04 1.46 1.37 3hg7A1 LYS 190 HD2 -0.06 0.00 0.00 -0.04 1.69 1.60 3hg7A1 LYS 190 HD3 -0.07 -0.00 0.02 -0.04 1.68 1.59 3hg7A1 LYS 190 HE2 -0.10 -0.00 0.03 -0.04 2.99 2.88 3hg7A1 LYS 190 HE3 -0.07 0.01 -0.00 -0.04 2.99 2.89 3hg7A1 MET 191 H -0.12 0.56 -0.11 -0.55 8.47 8.25 3hg7A1 MET 191 HA -0.10 0.05 0.45 -0.75 4.52 4.17 3hg7A1 MET 191 HB2 -0.05 0.05 0.01 -0.04 2.15 2.13 3hg7A1 MET 191 HB3 -0.00 -0.04 -0.13 -0.04 2.03 1.82 3hg7A1 MET 191 HG2 -0.33 0.05 -0.08 -0.04 2.63 2.23 3hg7A1 MET 191 HG3 -0.09 -0.08 -0.15 -0.04 2.56 2.21 3hg7A1 MET 191 HE3 -0.36 0.03 -0.21 -0.04 2.10 1.51 3hg7A1 LEU 192 H -0.05 0.64 -0.04 -0.55 8.37 8.38 3hg7A1 LEU 192 HA 0.05 -0.02 0.38 -0.75 4.35 4.00 3hg7A1 LEU 192 HB2 -0.06 0.07 0.14 -0.04 1.64 1.74 3hg7A1 LEU 192 HB3 0.04 0.12 -0.02 -0.04 1.64 1.73 3hg7A1 LEU 192 HG 0.03 0.05 -0.09 -0.04 1.64 1.59 3hg7A1 LEU 192 HD13 0.01 -0.01 -0.12 -0.04 0.93 0.77 3hg7A1 LEU 192 HD23 0.23 -0.02 -0.09 -0.04 0.89 0.97 3hg7A1 ALA 193 H -0.04 0.32 -0.35 -0.55 8.40 7.79 3hg7A1 ALA 193 HA -0.01 0.04 0.31 -0.75 4.34 3.93 3hg7A1 ALA 193 HB3 -0.03 0.04 0.10 -0.04 1.41 1.47 3hg7A1 GLN 194 H -0.01 0.25 -0.54 -0.55 8.47 7.62 3hg7A1 GLN 194 HA 0.01 0.17 0.81 -0.75 4.36 4.60 3hg7A1 GLN 194 HB2 0.01 -0.05 0.13 -0.04 2.15 2.19 3hg7A1 GLN 194 HB3 -0.01 -0.03 -0.02 -0.04 2.02 1.92 3hg7A1 GLN 194 HG2 -0.01 0.27 -0.02 -0.04 2.40 2.60 3hg7A1 GLN 194 HG3 0.02 -0.09 -0.10 -0.04 2.39 2.18 3hg7A1 GLN 194 HE21 0.01 -0.06 -0.05 -0.04 6.97 6.83 3hg7A1 GLN 194 HE22 0.03 -0.02 -0.05 -0.04 7.69 7.60 3hg7A1 ALA 195 H 0.02 0.53 -0.36 -0.55 8.40 8.05 3hg7A1 ALA 195 HA 0.04 0.03 0.68 -0.75 4.34 4.34 3hg7A1 ALA 195 HB3 0.06 0.04 -0.00 -0.04 1.41 1.47 3hg7A1 ASP 196 H 0.04 0.42 0.39 -0.55 8.40 8.70 3hg7A1 ASP 196 HA 0.02 0.14 0.73 -0.75 4.63 4.77 3hg7A1 ASP 196 HB2 0.03 -0.00 0.17 -0.04 2.71 2.87 3hg7A1 ASP 196 HB3 0.02 0.02 0.07 -0.04 2.70 2.77 3hg7A1 VAL 197 H 0.04 0.42 0.33 -0.55 8.24 8.48 3hg7A1 VAL 197 HA 0.06 0.24 1.00 -0.75 4.13 4.67 3hg7A1 VAL 197 HB -0.02 -0.08 0.10 -0.04 2.12 2.09 3hg7A1 VAL 197 HG13 0.03 -0.01 -0.08 -0.04 0.97 0.87 3hg7A1 VAL 197 HG23 -0.01 0.01 -0.14 -0.04 0.95 0.77 3hg7A1 ILE 198 H 0.10 0.82 0.43 -0.55 8.25 9.05 3hg7A1 ILE 198 HA 0.09 0.28 1.07 -0.75 4.18 4.86 3hg7A1 ILE 198 HB 0.03 -0.07 0.16 -0.04 1.89 1.97 3hg7A1 ILE 198 HG12 0.13 -0.01 -0.10 -0.04 1.49 1.46 3hg7A1 ILE 198 HG13 0.08 -0.05 -0.51 -0.04 1.21 0.69 3hg7A1 ILE 198 HG23 0.21 -0.04 -0.15 -0.04 0.93 0.91 3hg7A1 ILE 198 HD13 0.13 0.04 -0.11 -0.04 0.88 0.89 3hg7A1 VAL 199 H 0.09 0.77 0.35 -0.55 8.24 8.89 3hg7A1 VAL 199 HA 0.09 0.17 1.09 -0.75 4.13 4.72 3hg7A1 VAL 199 HB 0.02 -0.01 0.14 -0.04 2.12 2.24 3hg7A1 VAL 199 HG13 -0.01 -0.03 -0.19 -0.04 0.97 0.70 3hg7A1 VAL 199 HG23 -0.25 0.01 -0.18 -0.04 0.95 0.49 3hg7A1 SER 200 H 0.01 0.82 0.29 -0.55 8.46 9.03 3hg7A1 SER 200 HA 0.10 0.08 0.98 -0.75 4.49 4.90 3hg7A1 SER 200 HB2 -0.02 0.10 0.10 -0.04 3.95 4.09 3hg7A1 SER 200 HB3 -0.09 -0.03 0.33 -0.04 3.93 4.10 3hg7A1 VAL 201 H 0.07 0.71 0.22 -0.55 8.24 8.69 3hg7A1 VAL 201 HA -0.00 0.05 0.82 -0.75 4.13 4.24 3hg7A1 VAL 201 HB 0.06 -0.04 0.22 -0.04 2.12 2.31 3hg7A1 VAL 201 HG13 0.02 -0.03 -0.09 -0.04 0.97 0.83 3hg7A1 VAL 201 HG23 0.07 0.06 -0.28 -0.04 0.95 0.75 3hg7A1 LEU 202 H 0.02 0.04 -0.07 -0.55 8.37 7.81 3hg7A1 LEU 202 HA 0.03 0.17 0.55 -0.75 4.35 4.35 3hg7A1 LEU 202 HB2 0.03 -0.09 0.07 -0.04 1.64 1.61 3hg7A1 LEU 202 HB3 0.02 0.20 -0.02 -0.04 1.64 1.81 3hg7A1 LEU 202 HG 0.07 -0.06 -0.10 -0.04 1.64 1.50 3hg7A1 LEU 202 HD13 0.05 0.01 -0.00 -0.04 0.93 0.95 3hg7A1 LEU 202 HD23 0.03 0.01 -0.10 -0.04 0.89 0.79 3hg7A1 PRO 203 HA -0.00 0.06 0.55 -0.51 4.44 4.54 3hg7A1 PRO 203 HB2 0.01 0.07 -0.09 -0.04 2.28 2.23 3hg7A1 PRO 203 HB3 0.01 0.04 0.09 -0.04 2.02 2.12 3hg7A1 PRO 203 HG2 0.01 0.01 0.05 -0.04 2.03 2.06 3hg7A1 PRO 203 HG3 0.01 0.06 0.08 -0.04 2.03 2.13 3hg7A1 PRO 203 HD2 0.02 0.07 0.24 -0.04 3.68 3.97 3hg7A1 PRO 203 HD3 0.02 0.14 0.22 -0.04 3.65 4.00 3hg7A1 ALA 204 H 0.00 0.13 0.04 -0.55 8.40 8.03 3hg7A1 ALA 204 HA 0.01 0.12 0.52 -0.75 4.34 4.24 3hg7A1 ALA 204 HB3 0.01 -0.00 0.05 -0.04 1.41 1.42 3hg7A1 THR 205 H 0.02 0.25 0.09 -0.55 8.28 8.09 3hg7A1 THR 205 HA 0.03 0.23 0.69 -0.75 4.39 4.58 3hg7A1 THR 205 HB 0.02 -0.09 0.06 -0.04 4.32 4.26 3hg7A1 THR 205 HG23 0.01 -0.05 0.11 -0.04 1.22 1.24 3hg7A1 ARG 206 H 0.02 0.22 0.13 -0.55 8.46 8.28 3hg7A1 ARG 206 HA 0.03 0.13 0.56 -0.75 4.34 4.31 3hg7A1 ARG 206 HB2 -0.00 -0.02 0.15 -0.04 1.90 1.98 3hg7A1 ARG 206 HB3 -0.02 0.07 0.01 -0.04 1.80 1.82 3hg7A1 ARG 206 HG2 -0.04 0.00 0.04 -0.04 1.67 1.63 3hg7A1 ARG 206 HG3 -0.06 0.02 0.06 -0.04 1.67 1.65 3hg7A1 ARG 206 HD2 0.01 -0.05 -0.03 -0.04 3.22 3.11 3hg7A1 ARG 206 HD3 -0.00 0.00 0.06 -0.04 3.22 3.23 3hg7A1 GLU 207 H 0.02 0.02 -0.18 -0.55 8.60 7.90 3hg7A1 GLU 207 HA 0.01 0.20 0.45 -0.75 4.29 4.20 3hg7A1 GLU 207 HB2 0.01 -0.02 -0.02 -0.04 2.09 2.02 3hg7A1 GLU 207 HB3 0.01 0.06 0.06 -0.04 1.99 2.07 3hg7A1 GLU 207 HG2 0.01 -0.09 0.05 -0.04 2.34 2.27 3hg7A1 GLU 207 HG3 0.01 0.05 0.02 -0.04 2.34 2.38 3hg7A1 THR 208 H 0.03 0.01 -0.37 -0.55 8.28 7.40 3hg7A1 THR 208 HA -0.02 0.19 0.70 -0.75 4.39 4.51 3hg7A1 THR 208 HB 0.00 -0.06 0.10 -0.04 4.32 4.32 3hg7A1 THR 208 HG23 0.01 0.01 -0.02 -0.04 1.22 1.19 3hg7A1 HIS 209 H 0.11 0.19 -0.56 -0.55 8.41 7.60 3hg7A1 HIS 209 HA 0.04 0.01 0.40 -0.75 4.63 4.33 3hg7A1 HIS 209 HB2 -0.03 0.01 0.11 -0.04 3.26 3.31 3hg7A1 HIS 209 HB3 -0.06 0.08 0.08 -0.04 3.20 3.26 3hg7A1 HIS 209 HD2 -0.02 -0.03 -0.07 -0.04 6.97 6.80 3hg7A1 HIS 209 HE1 -0.49 -0.04 -0.05 -0.04 7.75 7.13 3hg7A1 HIS 210 H -0.02 0.66 0.23 -0.55 8.41 8.73 3hg7A1 HIS 210 HA -0.11 -0.01 -0.08 -0.75 4.63 3.68 3hg7A1 HIS 210 HB2 0.07 0.20 -0.25 -0.04 3.26 3.24 3hg7A1 HIS 210 HB3 -0.02 -0.13 0.06 -0.04 3.20 3.06 3hg7A1 HIS 210 HD2 0.04 -0.04 -0.00 -0.04 6.97 6.92 3hg7A1 HIS 210 HE1 -0.02 -0.02 -0.02 -0.04 7.75 7.64 3hg7A1 LEU 211 H -0.09 0.29 -0.27 -0.55 8.37 7.75 3hg7A1 LEU 211 HA -0.47 0.07 0.38 -0.75 4.35 3.59 3hg7A1 LEU 211 HB2 -0.17 0.03 0.19 -0.04 1.64 1.64 3hg7A1 LEU 211 HB3 -0.83 -0.02 -0.10 -0.04 1.64 0.64 3hg7A1 LEU 211 HG -0.11 -0.02 0.09 -0.04 1.64 1.55 3hg7A1 LEU 211 HD13 -0.09 -0.03 -0.01 -0.04 0.93 0.75 3hg7A1 LEU 211 HD23 -0.19 0.01 0.01 -0.04 0.89 0.67 3hg7A1 PHE 212 H -0.07 0.57 -0.02 -0.55 8.34 8.26 3hg7A1 PHE 212 HA -0.30 0.08 0.52 -0.75 4.62 4.16 3hg7A1 PHE 212 HB2 -0.15 -0.06 0.08 -0.04 3.15 2.97 3hg7A1 PHE 212 HB3 -0.09 0.06 -0.03 -0.04 3.06 2.96 3hg7A1 PHE 212 HD2 -0.03 0.08 -0.10 -0.04 7.28 7.18 3hg7A1 PHE 212 HE2 0.05 0.00 -0.09 -0.04 7.38 7.30 3hg7A1 PHE 212 HZ 0.07 -0.02 -0.13 -0.04 7.32 7.20 3hg7A1 THR 213 H -0.27 0.28 0.12 -0.55 8.28 7.85 3hg7A1 THR 213 HA -0.03 0.02 0.17 -0.75 4.39 3.80 3hg7A1 THR 213 HB -0.12 0.27 0.11 -0.04 4.32 4.54 3hg7A1 THR 213 HG23 0.15 -0.12 -0.18 -0.04 1.22 1.03 3hg7A1 ALA 214 H 0.03 0.10 0.14 -0.55 8.40 8.12 3hg7A1 ALA 214 HA 0.02 -0.06 0.42 -0.75 4.34 3.97 3hg7A1 ALA 214 HB3 0.06 -0.01 0.07 -0.04 1.41 1.48 3hg7A1 SER 215 H 0.10 -0.11 -0.20 -0.55 8.46 7.70 3hg7A1 SER 215 HA 0.05 0.33 1.04 -0.75 4.49 5.16 3hg7A1 SER 215 HB2 0.13 -0.08 0.02 -0.04 3.95 3.98 3hg7A1 SER 215 HB3 0.16 0.10 -0.09 -0.04 3.93 4.05 3hg7A1 ARG 216 H 0.14 0.02 0.08 -0.55 8.46 8.15 3hg7A1 ARG 216 HA 0.14 0.09 0.30 -0.75 4.34 4.11 3hg7A1 ARG 216 HB2 0.16 0.05 0.02 -0.04 1.90 2.10 3hg7A1 ARG 216 HB3 0.05 0.06 0.09 -0.04 1.80 1.97 3hg7A1 ARG 216 HG2 0.07 0.07 0.07 -0.04 1.67 1.84 3hg7A1 ARG 216 HG3 0.11 -0.20 0.15 -0.04 1.67 1.69 3hg7A1 ARG 216 HD2 0.09 0.03 0.03 -0.04 3.22 3.33 3hg7A1 ARG 216 HD3 0.14 -0.09 0.01 -0.04 3.22 3.24 3hg7A1 PHE 217 H 0.33 -0.04 -0.31 -0.55 8.34 7.77 3hg7A1 PHE 217 HA 0.00 0.07 0.37 -0.75 4.62 4.31 3hg7A1 PHE 217 HB2 -0.02 -0.13 0.13 -0.04 3.15 3.09 3hg7A1 PHE 217 HB3 -0.00 0.05 -0.11 -0.04 3.06 2.95 3hg7A1 PHE 217 HD2 -0.19 -0.06 -0.04 -0.04 7.28 6.95 3hg7A1 PHE 217 HE2 -0.23 -0.06 -0.05 -0.04 7.38 7.00 3hg7A1 PHE 217 HZ -0.15 -0.08 -0.02 -0.04 7.32 7.03 3hg7A1 GLU 218 H 0.18 0.11 -0.23 -0.55 8.60 8.12 3hg7A1 GLU 218 HA 0.13 0.02 0.16 -0.75 4.29 3.85 3hg7A1 GLU 218 HB2 -0.02 0.03 0.10 -0.04 2.09 2.15 3hg7A1 GLU 218 HB3 -0.02 -0.04 0.01 -0.04 1.99 1.91 3hg7A1 GLU 218 HG2 0.12 0.05 -0.21 -0.04 2.34 2.25 3hg7A1 GLU 218 HG3 0.03 0.14 -0.09 -0.04 2.34 2.38 3hg7A1 HIS 219 H 0.13 0.39 -0.61 -0.55 8.41 7.77 3hg7A1 HIS 219 HA 0.01 0.01 0.56 -0.75 4.63 4.46 3hg7A1 HIS 219 HB2 -0.01 0.30 0.15 -0.04 3.26 3.66 3hg7A1 HIS 219 HB3 -0.01 -0.08 0.16 -0.04 3.20 3.22 3hg7A1 HIS 219 HD2 0.00 0.02 -0.01 -0.04 6.97 6.94 3hg7A1 HIS 219 HE1 0.02 -0.10 -0.12 -0.04 7.75 7.50 3hg7A1 CYS 220 H 0.03 0.90 -0.04 -0.55 8.50 8.84 3hg7A1 CYS 220 HA 0.03 -0.06 0.29 -0.75 4.58 4.08 3hg7A1 CYS 220 HB2 0.01 0.16 -0.14 -0.04 2.97 2.95 3hg7A1 CYS 220 HB3 0.07 -0.06 0.05 -0.04 2.97 2.99 3hg7A1 LYS 221 H 0.02 0.03 0.07 -0.55 8.42 7.99 3hg7A1 LYS 221 HA 0.01 -0.01 0.40 -0.75 4.32 3.97 3hg7A1 LYS 221 HB2 0.02 0.14 -0.55 -0.04 1.87 1.44 3hg7A1 LYS 221 HB3 0.02 -0.09 0.10 -0.04 1.79 1.78 3hg7A1 LYS 221 HG2 0.01 -0.10 0.04 -0.04 1.46 1.37 3hg7A1 LYS 221 HG3 0.01 0.05 0.01 -0.04 1.46 1.49 3hg7A1 LYS 221 HD2 0.02 0.26 -0.16 -0.04 1.69 1.77 3hg7A1 LYS 221 HD3 0.01 -0.13 -0.10 -0.04 1.68 1.42 3hg7A1 LYS 221 HE2 0.01 -0.08 -0.00 -0.04 2.99 2.88 3hg7A1 LYS 221 HE3 0.01 0.20 -0.02 -0.04 2.99 3.14 3hg7A1 PRO 222 HA -0.01 0.27 0.17 -0.51 4.44 4.37 3hg7A1 PRO 222 HB2 -0.00 0.02 -0.05 -0.04 2.28 2.22 3hg7A1 PRO 222 HB3 0.00 0.05 0.12 -0.04 2.02 2.15 3hg7A1 PRO 222 HG2 0.00 -0.03 0.10 -0.04 2.03 2.06 3hg7A1 PRO 222 HG3 0.01 0.02 0.09 -0.04 2.03 2.10 3hg7A1 PRO 222 HD2 0.01 0.11 0.22 -0.04 3.68 3.98 3hg7A1 PRO 222 HD3 0.01 0.11 0.20 -0.04 3.65 3.93 3hg7A1 GLY 223 H 0.00 0.09 -0.17 -0.55 8.43 7.81 3hg7A1 GLY 223 HA2 -0.01 0.19 0.75 -0.51 4.01 4.43 3hg7A1 GLY 223 HA3 -0.00 -0.03 0.29 -0.51 4.01 3.76 3hg7A1 ALA 224 H -0.00 0.32 -0.18 -0.55 8.40 7.99 3hg7A1 ALA 224 HA 0.01 0.32 0.61 -0.75 4.34 4.52 3hg7A1 ALA 224 HB3 0.02 0.01 0.08 -0.04 1.41 1.48 3hg7A1 ILE 225 H 0.01 0.51 0.40 -0.55 8.25 8.62 3hg7A1 ILE 225 HA -0.08 0.22 0.95 -0.75 4.18 4.51 3hg7A1 ILE 225 HB 0.04 -0.07 0.23 -0.04 1.89 2.05 3hg7A1 ILE 225 HG12 -0.06 -0.00 -0.08 -0.04 1.49 1.31 3hg7A1 ILE 225 HG13 -0.02 0.16 -0.17 -0.04 1.21 1.14 3hg7A1 ILE 225 HG23 -0.20 -0.04 -0.20 -0.04 0.93 0.45 3hg7A1 ILE 225 HD13 -0.01 -0.01 -0.01 -0.04 0.88 0.80 3hg7A1 LEU 226 H -0.15 0.65 0.34 -0.55 8.37 8.66 3hg7A1 LEU 226 HA -0.02 0.19 1.11 -0.75 4.35 4.88 3hg7A1 LEU 226 HB2 -0.13 0.08 -0.01 -0.04 1.64 1.54 3hg7A1 LEU 226 HB3 -0.18 0.04 0.20 -0.04 1.64 1.66 3hg7A1 LEU 226 HG -0.33 -0.11 -0.43 -0.04 1.64 0.73 3hg7A1 LEU 226 HD13 -0.50 0.01 -0.07 -0.04 0.93 0.33 3hg7A1 LEU 226 HD23 -0.50 -0.01 -0.11 -0.04 0.89 0.23 3hg7A1 PHE 227 H 0.20 0.88 0.47 -0.55 8.34 9.33 3hg7A1 PHE 227 HA -0.13 0.33 1.06 -0.75 4.62 5.13 3hg7A1 PHE 227 HB2 -0.05 -0.05 0.28 -0.04 3.15 3.29 3hg7A1 PHE 227 HB3 -0.03 -0.09 -0.04 -0.04 3.06 2.86 3hg7A1 PHE 227 HD2 0.00 0.04 -0.08 -0.04 7.28 7.20 3hg7A1 PHE 227 HE2 -0.17 0.03 -0.07 -0.04 7.38 7.13 3hg7A1 PHE 227 HZ -0.12 0.02 -0.08 -0.04 7.32 7.10 3hg7A1 ASN 228 H -0.13 0.60 0.35 -0.55 8.53 8.81 3hg7A1 ASN 228 HA -0.10 0.21 1.12 -0.75 4.76 5.24 3hg7A1 ASN 228 HB2 -0.25 0.08 -0.02 -0.04 2.88 2.65 3hg7A1 ASN 228 HB3 -0.28 -0.01 0.20 -0.04 2.79 2.65 3hg7A1 ASN 228 HD21 -0.18 0.23 -0.18 -0.04 7.03 6.86 3hg7A1 ASN 228 HD22 -0.26 0.08 -0.10 -0.04 7.74 7.43 3hg7A1 VAL 229 H -0.06 0.61 0.22 -0.55 8.24 8.46 3hg7A1 VAL 229 HA -0.19 0.08 0.87 -0.75 4.13 4.13 3hg7A1 VAL 229 HB -0.14 -0.04 0.12 -0.04 2.12 2.02 3hg7A1 VAL 229 HG13 -0.02 -0.00 -0.18 -0.04 0.97 0.72 3hg7A1 VAL 229 HG23 -0.01 0.02 -0.13 -0.04 0.95 0.79 3hg7A1 GLY 230 H -0.10 0.11 0.04 -0.55 8.43 7.93 3hg7A1 GLY 230 HA2 -0.07 0.12 0.58 -0.51 4.01 4.13 3hg7A1 GLY 230 HA3 -0.06 -0.01 0.28 -0.51 4.01 3.71 3hg7A1 ARG 231 H -0.09 0.23 0.09 -0.55 8.46 8.14 3hg7A1 ARG 231 HA -0.16 0.21 0.63 -0.75 4.34 4.27 3hg7A1 ARG 231 HB2 -0.06 -0.07 -0.04 -0.04 1.90 1.69 3hg7A1 ARG 231 HB3 -0.06 0.02 0.08 -0.04 1.80 1.80 3hg7A1 ARG 231 HG2 -0.04 0.04 -0.36 -0.04 1.67 1.26 3hg7A1 ARG 231 HG3 -0.02 -0.06 -0.02 -0.04 1.67 1.52 3hg7A1 ARG 231 HD2 -0.05 0.35 -0.05 -0.04 3.22 3.42 3hg7A1 ARG 231 HD3 -0.02 -0.04 -0.05 -0.04 3.22 3.06 3hg7A1 GLY 232 H -0.15 0.26 -0.07 -0.55 8.43 7.91 3hg7A1 GLY 232 HA2 -0.23 0.17 -0.04 -0.51 4.01 3.41 3hg7A1 GLY 232 HA3 -0.11 0.04 -0.37 -0.51 4.01 3.06 3hg7A1 ASN 233 H -0.09 0.00 -0.63 -0.55 8.53 7.26 3hg7A1 ASN 233 HA -0.13 0.11 0.26 -0.75 4.76 4.24 3hg7A1 ASN 233 HB2 -0.07 -0.07 -0.07 -0.04 2.88 2.63 3hg7A1 ASN 233 HB3 -0.16 0.05 -0.15 -0.04 2.79 2.49 3hg7A1 ASN 233 HD21 0.08 0.06 -0.03 -0.04 7.03 7.10 3hg7A1 ASN 233 HD22 0.04 -0.00 -0.06 -0.04 7.74 7.67 3hg7A1 ALA 234 H -0.09 0.42 -0.29 -0.55 8.40 7.89 3hg7A1 ALA 234 HA -0.02 0.26 0.51 -0.75 4.34 4.34 3hg7A1 ALA 234 HB3 0.03 -0.01 0.08 -0.04 1.41 1.47 3hg7A1 ILE 235 H -0.13 0.43 -0.32 -0.55 8.25 7.68 3hg7A1 ILE 235 HA -0.06 0.23 0.87 -0.75 4.18 4.46 3hg7A1 ILE 235 HB -0.16 0.01 0.03 -0.04 1.89 1.73 3hg7A1 ILE 235 HG12 -0.16 0.10 -0.16 -0.04 1.49 1.23 3hg7A1 ILE 235 HG13 -0.11 -0.19 -0.40 -0.04 1.21 0.46 3hg7A1 ILE 235 HG23 -0.12 -0.00 -0.35 -0.04 0.93 0.41 3hg7A1 ILE 235 HD13 -0.28 0.01 -0.11 -0.04 0.88 0.45 3hg7A1 ASN 236 H -0.28 0.54 0.12 -0.55 8.53 8.36 3hg7A1 ASN 236 HA -0.61 0.09 0.84 -0.75 4.76 4.33 3hg7A1 ASN 236 HB2 -0.62 0.10 0.13 -0.04 2.88 2.45 3hg7A1 ASN 236 HB3 -0.17 0.02 0.23 -0.04 2.79 2.83 3hg7A1 ASN 236 HD21 0.09 0.04 0.03 -0.04 7.03 7.14 3hg7A1 ASN 236 HD22 0.24 0.09 0.05 -0.04 7.74 8.09 3hg7A1 GLU 237 H -0.13 0.20 0.16 -0.55 8.60 8.28 3hg7A1 GLU 237 HA -0.08 0.13 0.19 -0.75 4.29 3.77 3hg7A1 GLU 237 HB2 -0.03 -0.02 0.15 -0.04 2.09 2.15 3hg7A1 GLU 237 HB3 -0.03 0.04 0.04 -0.04 1.99 2.00 3hg7A1 GLU 237 HG2 -0.04 0.06 0.01 -0.04 2.34 2.33 3hg7A1 GLU 237 HG3 -0.08 0.17 0.07 -0.04 2.34 2.46 3hg7A1 GLY 238 H -0.04 0.07 -0.06 -0.55 8.43 7.86 3hg7A1 GLY 238 HA2 -0.01 0.11 0.36 -0.51 4.01 3.95 3hg7A1 GLY 238 HA3 -0.00 0.06 0.29 -0.51 4.01 3.85 3hg7A1 ASP 239 H -0.04 0.09 -0.38 -0.55 8.40 7.53 3hg7A1 ASP 239 HA -0.01 0.12 0.64 -0.75 4.63 4.63 3hg7A1 ASP 239 HB2 -0.01 0.04 0.11 -0.04 2.71 2.81 3hg7A1 ASP 239 HB3 0.01 0.38 0.28 -0.04 2.70 3.33 3hg7A1 LEU 240 H -0.05 0.36 -0.06 -0.55 8.37 8.07 3hg7A1 LEU 240 HA -0.03 0.12 0.51 -0.75 4.35 4.19 3hg7A1 LEU 240 HB2 -0.07 -0.01 -0.01 -0.04 1.64 1.50 3hg7A1 LEU 240 HB3 -0.07 0.01 0.09 -0.04 1.64 1.63 3hg7A1 LEU 240 HG -0.07 0.05 -0.45 -0.04 1.64 1.13 3hg7A1 LEU 240 HD13 -0.09 0.00 -0.07 -0.04 0.93 0.73 3hg7A1 LEU 240 HD23 -0.10 -0.02 -0.09 -0.04 0.89 0.62 3hg7A1 LEU 241 H -0.03 0.46 -0.20 -0.55 8.37 8.05 3hg7A1 LEU 241 HA -0.03 0.06 0.34 -0.75 4.35 3.96 3hg7A1 LEU 241 HB2 -0.02 0.11 0.14 -0.04 1.64 1.82 3hg7A1 LEU 241 HB3 -0.02 0.05 0.00 -0.04 1.64 1.64 3hg7A1 LEU 241 HG -0.02 0.02 -0.04 -0.04 1.64 1.55 3hg7A1 LEU 241 HD13 -0.02 -0.03 -0.12 -0.04 0.93 0.72 3hg7A1 LEU 241 HD23 -0.01 0.01 -0.10 -0.04 0.89 0.75 3hg7A1 THR 242 H -0.02 0.29 -0.15 -0.55 8.28 7.85 3hg7A1 THR 242 HA -0.01 0.04 0.37 -0.75 4.39 4.03 3hg7A1 THR 242 HB -0.01 0.07 0.09 -0.04 4.32 4.43 3hg7A1 THR 242 HG23 -0.01 -0.00 -0.06 -0.04 1.22 1.11 3hg7A1 ALA 243 H -0.03 0.42 -0.33 -0.55 8.40 7.92 3hg7A1 ALA 243 HA -0.06 -0.00 0.38 -0.75 4.34 3.91 3hg7A1 ALA 243 HB3 -0.03 0.07 0.06 -0.04 1.41 1.47 3hg7A1 LEU 244 H -0.04 0.49 -0.20 -0.55 8.37 8.08 3hg7A1 LEU 244 HA -0.04 0.20 0.46 -0.75 4.35 4.22 3hg7A1 LEU 244 HB2 -0.04 0.04 0.06 -0.04 1.64 1.67 3hg7A1 LEU 244 HB3 -0.04 -0.04 -0.06 -0.04 1.64 1.46 3hg7A1 LEU 244 HG -0.06 0.03 -0.09 -0.04 1.64 1.49 3hg7A1 LEU 244 HD13 -0.07 -0.05 -0.18 -0.04 0.93 0.59 3hg7A1 LEU 244 HD23 -0.07 0.05 -0.30 -0.04 0.89 0.53 3hg7A1 ARG 245 H -0.03 0.37 -0.22 -0.55 8.46 8.04 3hg7A1 ARG 245 HA -0.02 0.09 0.62 -0.75 4.34 4.28 3hg7A1 ARG 245 HB2 -0.02 0.02 0.14 -0.04 1.90 2.00 3hg7A1 ARG 245 HB3 -0.01 -0.06 0.04 -0.04 1.80 1.73 3hg7A1 ARG 245 HG2 -0.01 -0.01 0.03 -0.04 1.67 1.64 3hg7A1 ARG 245 HG3 -0.02 0.04 -0.03 -0.04 1.67 1.62 3hg7A1 ARG 245 HD2 -0.01 -0.06 -0.15 -0.04 3.22 2.96 3hg7A1 ARG 245 HD3 -0.01 -0.02 -0.03 -0.04 3.22 3.12 3hg7A1 THR 246 H -0.03 0.32 -0.28 -0.55 8.28 7.74 3hg7A1 THR 246 HA -0.01 0.18 0.83 -0.75 4.39 4.63 3hg7A1 THR 246 HB -0.02 -0.05 0.14 -0.04 4.32 4.35 3hg7A1 THR 246 HG23 -0.01 -0.02 -0.10 -0.04 1.22 1.05 3hg7A1 GLY 247 H -0.02 0.24 -0.24 -0.55 8.43 7.86 3hg7A1 GLY 247 HA2 -0.02 0.15 0.31 -0.51 4.01 3.93 3hg7A1 GLY 247 HA3 -0.02 -0.01 0.33 -0.51 4.01 3.81 3hg7A1 LYS 248 H -0.04 0.50 -0.02 -0.55 8.42 8.31 3hg7A1 LYS 248 HA -0.05 0.03 0.54 -0.75 4.32 4.09 3hg7A1 LYS 248 HB2 -0.09 -0.03 0.05 -0.04 1.87 1.75 3hg7A1 LYS 248 HB3 -0.07 -0.06 -0.06 -0.04 1.79 1.56 3hg7A1 LYS 248 HG2 -0.32 -0.14 -0.21 -0.04 1.46 0.75 3hg7A1 LYS 248 HG3 -0.18 0.25 -0.14 -0.04 1.46 1.35 3hg7A1 LYS 248 HD2 -0.23 -0.08 -0.04 -0.04 1.69 1.29 3hg7A1 LYS 248 HD3 -0.09 0.11 -0.11 -0.04 1.68 1.55 3hg7A1 LYS 248 HE2 -0.11 0.09 -0.10 -0.04 2.99 2.83 3hg7A1 LYS 248 HE3 -0.37 -0.08 -0.10 -0.04 2.99 2.39 3hg7A1 LEU 249 H -0.03 0.27 -0.09 -0.55 8.37 7.97 3hg7A1 LEU 249 HA -0.01 0.30 0.62 -0.75 4.35 4.50 3hg7A1 LEU 249 HB2 -0.02 -0.01 -0.31 -0.04 1.64 1.26 3hg7A1 LEU 249 HB3 -0.04 -0.09 -0.25 -0.04 1.64 1.21 3hg7A1 LEU 249 HG -0.06 0.07 -0.13 -0.04 1.64 1.49 3hg7A1 LEU 249 HD13 -0.00 -0.01 -0.06 -0.04 0.93 0.82 3hg7A1 LEU 249 HD23 -0.07 -0.06 -0.12 -0.04 0.89 0.59 3hg7A1 GLY 250 H -0.03 0.39 0.14 -0.55 8.43 8.38 3hg7A1 GLY 250 HA2 -0.03 0.10 0.50 -0.51 4.01 4.07 3hg7A1 GLY 250 HA3 -0.03 -0.04 0.28 -0.51 4.01 3.71 3hg7A1 MET 251 H -0.07 0.45 0.31 -0.55 8.47 8.62 3hg7A1 MET 251 HA -0.08 0.34 0.86 -0.75 4.52 4.88 3hg7A1 MET 251 HB2 -0.10 -0.09 -0.03 -0.04 2.15 1.89 3hg7A1 MET 251 HB3 -0.13 -0.04 -0.02 -0.04 2.03 1.79 3hg7A1 MET 251 HG2 -0.06 0.22 -0.47 -0.04 2.63 2.29 3hg7A1 MET 251 HG3 -0.06 -0.06 -0.12 -0.04 2.56 2.28 3hg7A1 MET 251 HE3 -0.09 0.02 -0.13 -0.04 2.10 1.86 3hg7A1 ALA 252 H -0.13 0.63 0.39 -0.55 8.40 8.73 3hg7A1 ALA 252 HA -0.24 0.23 0.96 -0.75 4.34 4.54 3hg7A1 ALA 252 HB3 -0.15 -0.02 0.06 -0.04 1.41 1.25 3hg7A1 VAL 253 H -0.44 0.72 0.36 -0.55 8.24 8.33 3hg7A1 VAL 253 HA -0.29 0.24 0.97 -0.75 4.13 4.30 3hg7A1 VAL 253 HB -1.20 -0.09 0.14 -0.04 2.12 0.92 3hg7A1 VAL 253 HG13 -0.56 -0.02 -0.17 -0.04 0.97 0.18 3hg7A1 VAL 253 HG23 -0.64 0.02 -0.19 -0.04 0.95 0.11 3hg7A1 LEU 254 H -0.15 0.79 0.31 -0.55 8.37 8.77 3hg7A1 LEU 254 HA -0.27 0.09 1.15 -0.75 4.35 4.56 3hg7A1 LEU 254 HB2 -0.15 0.05 0.15 -0.04 1.64 1.64 3hg7A1 LEU 254 HB3 -0.77 0.05 0.08 -0.04 1.64 0.97 3hg7A1 LEU 254 HG -0.16 0.07 -0.16 -0.04 1.64 1.36 3hg7A1 LEU 254 HD13 -0.13 0.00 -0.03 -0.04 0.93 0.73 3hg7A1 LEU 254 HD23 -0.26 0.01 -0.20 -0.04 0.89 0.40 3hg7A1 ASP 255 H -0.28 0.58 0.40 -0.55 8.40 8.55 3hg7A1 ASP 255 HA -0.04 0.20 0.94 -0.75 4.63 4.98 3hg7A1 ASP 255 HB2 -0.21 0.06 0.06 -0.04 2.71 2.57 3hg7A1 ASP 255 HB3 -0.26 0.06 0.17 -0.04 2.70 2.63 3hg7A1 VAL 256 H -0.71 0.22 0.12 -0.55 8.24 7.32 3hg7A1 VAL 256 HA -0.49 0.20 0.87 -0.75 4.13 3.96 3hg7A1 VAL 256 HB -0.42 -0.15 -0.10 -0.04 2.12 1.41 3hg7A1 VAL 256 HG13 -0.81 0.06 -0.29 -0.04 0.97 -0.11 3hg7A1 VAL 256 HG23 -0.34 0.03 -0.62 -0.04 0.95 -0.02 3hg7A1 PHE 257 H -0.14 0.25 0.13 -0.55 8.34 8.02 3hg7A1 PHE 257 HA -0.14 0.20 0.90 -0.75 4.62 4.83 3hg7A1 PHE 257 HB2 -0.11 0.09 -0.18 -0.04 3.15 2.90 3hg7A1 PHE 257 HB3 -0.13 -0.04 0.04 -0.04 3.06 2.89 3hg7A1 PHE 257 HD2 -0.17 -0.06 -0.11 -0.04 7.28 6.89 3hg7A1 PHE 257 HE2 -0.21 0.13 -0.15 -0.04 7.38 7.11 3hg7A1 PHE 257 HZ -0.24 0.13 -0.03 -0.04 7.32 7.14 3hg7A1 GLU 258 H 0.06 0.22 0.15 -0.55 8.60 8.49 3hg7A1 GLU 258 HA 0.01 -0.01 0.43 -0.75 4.29 3.96 3hg7A1 GLU 258 HB2 0.01 -0.00 0.18 -0.04 2.09 2.24 3hg7A1 GLU 258 HB3 0.04 0.05 -0.01 -0.04 1.99 2.02 3hg7A1 GLU 258 HG2 0.06 0.03 0.02 -0.04 2.34 2.41 3hg7A1 GLU 258 HG3 0.03 -0.04 0.01 -0.04 2.34 2.30 3hg7A1 GLN 259 H 0.07 0.10 -0.18 -0.55 8.47 7.91 3hg7A1 GLN 259 HA 0.05 0.17 0.71 -0.75 4.36 4.54 3hg7A1 GLN 259 HB2 0.03 0.03 -0.05 -0.04 2.15 2.12 3hg7A1 GLN 259 HB3 0.02 -0.08 0.07 -0.04 2.02 2.00 3hg7A1 GLN 259 HG2 0.03 -0.04 -0.04 -0.04 2.40 2.31 3hg7A1 GLN 259 HG3 0.03 0.17 -0.39 -0.04 2.39 2.16 3hg7A1 GLN 259 HE21 0.04 -0.02 -0.02 -0.04 6.97 6.92 3hg7A1 GLN 259 HE22 0.04 0.11 -0.18 -0.04 7.69 7.62 3hg7A1 GLU 260 H 0.06 0.22 0.02 -0.55 8.60 8.36 3hg7A1 GLU 260 HA 0.04 0.02 0.11 -0.75 4.29 3.71 3hg7A1 GLU 260 HB2 0.12 0.06 -0.07 -0.04 2.09 2.16 3hg7A1 GLU 260 HB3 0.13 -0.00 0.01 -0.04 1.99 2.09 3hg7A1 GLU 260 HG2 0.08 -0.01 -0.24 -0.04 2.34 2.13 3hg7A1 GLU 260 HG3 0.10 0.02 0.00 -0.04 2.34 2.42 3hg7A1 PRO 261 HA 0.07 0.01 0.32 -0.51 4.44 4.33 3hg7A1 PRO 261 HB2 0.10 0.13 -0.16 -0.04 2.28 2.31 3hg7A1 PRO 261 HB3 0.09 0.03 0.06 -0.04 2.02 2.16 3hg7A1 PRO 261 HG2 0.06 0.02 0.02 -0.04 2.03 2.09 3hg7A1 PRO 261 HG3 0.06 0.04 0.06 -0.04 2.03 2.15 3hg7A1 PRO 261 HD2 0.06 0.14 0.48 -0.04 3.68 4.32 3hg7A1 PRO 261 HD3 0.07 0.05 0.08 -0.04 3.65 3.81 3hg7A1 LEU 262 H -0.09 0.08 0.09 -0.55 8.37 7.91 3hg7A1 LEU 262 HA -0.14 0.23 0.53 -0.75 4.35 4.22 3hg7A1 LEU 262 HB2 -0.94 -0.04 0.11 -0.04 1.64 0.72 3hg7A1 LEU 262 HB3 -0.54 -0.00 0.08 -0.04 1.64 1.13 3hg7A1 LEU 262 HG -0.43 0.13 -0.11 -0.04 1.64 1.20 3hg7A1 LEU 262 HD13 -0.47 -0.02 0.06 -0.04 0.93 0.46 3hg7A1 LEU 262 HD23 -1.78 -0.01 -0.08 -0.04 0.89 -1.03 3hg7A1 PRO 263 HA 0.11 0.07 0.37 -0.51 4.44 4.48 3hg7A1 PRO 263 HB2 0.09 -0.13 0.05 -0.04 2.28 2.26 3hg7A1 PRO 263 HB3 0.06 0.07 0.10 -0.04 2.02 2.21 3hg7A1 PRO 263 HG2 0.03 0.00 0.08 -0.04 2.03 2.10 3hg7A1 PRO 263 HG3 0.04 0.10 0.08 -0.04 2.03 2.21 3hg7A1 PRO 263 HD2 -0.02 -0.01 0.22 -0.04 3.68 3.82 3hg7A1 PRO 263 HD3 0.00 0.27 0.21 -0.04 3.65 4.09 3hg7A1 ALA 264 H 0.07 0.16 0.16 -0.55 8.40 8.24 3hg7A1 ALA 264 HA -0.19 0.14 0.40 -0.75 4.34 3.94 3hg7A1 ALA 264 HB3 -0.14 0.01 0.09 -0.04 1.41 1.34 3hg7A1 ASP 265 H 0.09 -0.10 -0.63 -0.55 8.40 7.21 3hg7A1 ASP 265 HA 0.04 0.11 0.40 -0.75 4.63 4.43 3hg7A1 ASP 265 HB2 0.06 -0.07 -0.04 -0.04 2.71 2.62 3hg7A1 ASP 265 HB3 0.05 0.01 -0.11 -0.04 2.70 2.61 3hg7A1 SER 266 H 0.27 0.52 -0.24 -0.55 8.46 8.46 3hg7A1 SER 266 HA 0.06 0.03 0.20 -0.75 4.49 4.03 3hg7A1 SER 266 HB2 -0.02 0.01 0.11 -0.04 3.95 4.01 3hg7A1 SER 266 HB3 -0.10 0.07 0.06 -0.04 3.93 3.92 3hg7A1 PRO 267 HA 0.07 0.17 0.50 -0.51 4.44 4.67 3hg7A1 PRO 267 HB2 0.01 0.00 -0.06 -0.04 2.28 2.19 3hg7A1 PRO 267 HB3 0.02 0.08 0.10 -0.04 2.02 2.17 3hg7A1 PRO 267 HG2 0.01 -0.00 0.05 -0.04 2.03 2.05 3hg7A1 PRO 267 HG3 0.03 0.11 0.08 -0.04 2.03 2.20 3hg7A1 PRO 267 HD2 0.00 -0.00 0.17 -0.04 3.68 3.80 3hg7A1 PRO 267 HD3 0.03 0.14 0.13 -0.04 3.65 3.91 3hg7A1 LEU 268 H -0.05 -0.00 -0.37 -0.55 8.37 7.40 3hg7A1 LEU 268 HA -0.06 0.09 0.33 -0.75 4.35 3.96 3hg7A1 LEU 268 HB2 -0.38 -0.03 -0.02 -0.04 1.64 1.17 3hg7A1 LEU 268 HB3 -0.20 0.08 -0.08 -0.04 1.64 1.39 3hg7A1 LEU 268 HG -0.09 -0.07 0.01 -0.04 1.64 1.44 3hg7A1 LEU 268 HD13 -0.04 -0.01 -0.01 -0.04 0.93 0.83 3hg7A1 LEU 268 HD23 -0.04 0.01 -0.06 -0.04 0.89 0.75 3hg7A1 TRP 269 H -0.00 0.21 -0.31 -0.55 7.97 7.32 3hg7A1 TRP 269 HA -0.05 -0.00 0.20 -0.75 4.62 4.01 3hg7A1 TRP 269 HB2 -0.04 0.11 0.02 -0.04 3.23 3.28 3hg7A1 TRP 269 HB3 -0.04 0.01 -0.05 -0.04 3.23 3.10 3hg7A1 TRP 269 HD1 -0.07 0.25 -0.08 -0.04 7.22 7.28 3hg7A1 TRP 269 HE1 -0.10 0.37 -0.29 -0.04 10.20 10.14 3hg7A1 TRP 269 HE3 -0.05 0.06 -0.01 -0.04 7.59 7.55 3hg7A1 TRP 269 HZ2 -0.11 0.16 -0.10 -0.04 7.44 7.34 3hg7A1 TRP 269 HZ3 -0.04 0.01 -0.04 -0.04 7.13 7.02 3hg7A1 TRP 269 HH2 -0.07 -0.06 -0.06 -0.04 7.19 6.97 3hg7A1 GLY 270 H 0.16 0.14 -0.38 -0.55 8.43 7.81 3hg7A1 GLY 270 HA2 0.09 0.05 0.27 -0.51 4.01 3.91 3hg7A1 GLY 270 HA3 0.07 -0.04 0.24 -0.51 4.01 3.77 3hg7A1 GLN 271 H 0.03 0.33 -0.26 -0.55 8.47 8.03 3hg7A1 GLN 271 HA 0.00 0.05 0.40 -0.75 4.36 4.07 3hg7A1 GLN 271 HB2 -0.01 -0.02 0.08 -0.04 2.15 2.15 3hg7A1 GLN 271 HB3 -0.02 0.05 0.13 -0.04 2.02 2.14 3hg7A1 GLN 271 HG2 -0.03 -0.05 -0.08 -0.04 2.40 2.19 3hg7A1 GLN 271 HG3 -0.03 -0.13 -0.25 -0.04 2.39 1.94 3hg7A1 GLN 271 HE21 -0.02 0.03 -0.08 -0.04 6.97 6.86 3hg7A1 GLN 271 HE22 -0.03 -0.01 -0.15 -0.04 7.69 7.47 3hg7A1 PRO 272 HA -0.00 0.10 0.30 -0.51 4.44 4.32 3hg7A1 PRO 272 HB2 -0.02 0.04 0.08 -0.04 2.28 2.33 3hg7A1 PRO 272 HB3 -0.02 -0.00 0.13 -0.04 2.02 2.09 3hg7A1 PRO 272 HG2 -0.01 0.01 0.13 -0.04 2.03 2.11 3hg7A1 PRO 272 HG3 -0.00 0.07 0.16 -0.04 2.03 2.22 3hg7A1 PRO 272 HD2 -0.01 0.07 0.20 -0.04 3.68 3.89 3hg7A1 PRO 272 HD3 -0.00 0.16 0.32 -0.04 3.65 4.09 3hg7A1 ASN 273 H -0.03 0.08 -0.22 -0.55 8.53 7.82 3hg7A1 ASN 273 HA -0.05 0.18 0.85 -0.75 4.76 4.99 3hg7A1 ASN 273 HB2 -0.05 0.13 0.40 -0.04 2.88 3.31 3hg7A1 ASN 273 HB3 -0.04 -0.01 0.10 -0.04 2.79 2.80 3hg7A1 ASN 273 HD21 -0.04 0.28 0.18 -0.04 7.03 7.42 3hg7A1 ASN 273 HD22 -0.04 0.29 0.20 -0.04 7.74 8.15 3hg7A1 LEU 274 H -0.03 0.58 -0.26 -0.55 8.37 8.11 3hg7A1 LEU 274 HA -0.09 0.12 0.99 -0.75 4.35 4.62 3hg7A1 LEU 274 HB2 -0.05 -0.10 -0.07 -0.04 1.64 1.38 3hg7A1 LEU 274 HB3 -0.04 0.21 0.08 -0.04 1.64 1.85 3hg7A1 LEU 274 HG -0.08 -0.05 -0.00 -0.04 1.64 1.47 3hg7A1 LEU 274 HD13 -0.06 0.00 -0.04 -0.04 0.93 0.79 3hg7A1 LEU 274 HD23 -0.05 0.00 -0.26 -0.04 0.89 0.54 3hg7A1 ILE 275 H -0.12 0.67 0.38 -0.55 8.25 8.64 3hg7A1 ILE 275 HA -0.01 0.22 0.96 -0.75 4.18 4.59 3hg7A1 ILE 275 HB -0.14 -0.04 0.15 -0.04 1.89 1.82 3hg7A1 ILE 275 HG12 -0.00 0.05 -0.02 -0.04 1.49 1.49 3hg7A1 ILE 275 HG13 -0.05 0.03 -0.32 -0.04 1.21 0.83 3hg7A1 ILE 275 HG23 0.03 -0.03 -0.19 -0.04 0.93 0.70 3hg7A1 ILE 275 HD13 -0.01 -0.01 -0.06 -0.04 0.88 0.76 3hg7A1 ILE 276 H 0.03 0.27 0.16 -0.55 8.25 8.16 3hg7A1 ILE 276 HA 0.08 0.25 1.01 -0.75 4.18 4.77 3hg7A1 ILE 276 HB -0.08 0.04 0.07 -0.04 1.89 1.88 3hg7A1 ILE 276 HG12 -0.18 -0.06 -0.16 -0.04 1.49 1.06 3hg7A1 ILE 276 HG13 -0.10 0.02 -0.50 -0.04 1.21 0.58 3hg7A1 ILE 276 HG23 -0.39 -0.03 -0.26 -0.04 0.93 0.21 3hg7A1 ILE 276 HD13 -0.66 0.01 -0.26 -0.04 0.88 -0.07 3hg7A1 THR 277 H 0.14 0.55 0.35 -0.55 8.28 8.76 3hg7A1 THR 277 HA 0.16 0.27 0.83 -0.75 4.39 4.89 3hg7A1 THR 277 HB 0.25 -0.04 -0.02 -0.04 4.32 4.47 3hg7A1 THR 277 HG23 0.27 0.02 -0.19 -0.04 1.22 1.28 3hg7A1 PRO 278 HA 0.15 0.11 0.35 -0.51 4.44 4.55 3hg7A1 PRO 278 HB2 0.12 0.01 0.19 -0.04 2.28 2.56 3hg7A1 PRO 278 HB3 0.15 0.05 0.06 -0.04 2.02 2.24 3hg7A1 PRO 278 HG2 0.11 0.00 0.04 -0.04 2.03 2.15 3hg7A1 PRO 278 HG3 0.12 0.08 0.06 -0.04 2.03 2.26 3hg7A1 PRO 278 HD2 0.15 0.08 0.11 -0.04 3.68 3.99 3hg7A1 PRO 278 HD3 0.15 0.23 0.15 -0.04 3.65 4.14 3hg7A1 HIS 279 H 0.17 0.67 0.28 -0.55 8.41 8.99 3hg7A1 HIS 279 HA -0.06 0.04 0.42 -0.75 4.63 4.27 3hg7A1 HIS 279 HB2 0.04 -0.00 0.06 -0.04 3.26 3.32 3hg7A1 HIS 279 HB3 -0.02 0.06 0.15 -0.04 3.20 3.35 3hg7A1 HIS 279 HD2 -0.16 -0.08 -0.08 -0.04 6.97 6.60 3hg7A1 HIS 279 HE1 -0.11 -0.06 0.05 -0.04 7.75 7.58 3hg7A1 ASN 280 H 0.07 0.08 -0.18 -0.55 8.53 7.96 3hg7A1 ASN 280 HA 0.03 0.14 0.71 -0.75 4.76 4.89 3hg7A1 ASN 280 HB2 0.09 -0.05 0.08 -0.04 2.88 2.97 3hg7A1 ASN 280 HB3 0.08 0.20 -0.27 -0.04 2.79 2.76 3hg7A1 ASN 280 HD21 0.12 0.04 -0.04 -0.04 7.03 7.11 3hg7A1 ASN 280 HD22 0.08 -0.00 -0.03 -0.04 7.74 7.75 3hg7A1 SER 281 H -0.12 0.09 -0.04 -0.55 8.46 7.84 3hg7A1 SER 281 HA -0.16 0.14 0.35 -0.75 4.49 4.07 3hg7A1 SER 281 HB2 -1.02 0.04 0.04 -0.04 3.95 2.97 3hg7A1 SER 281 HB3 -1.29 -0.01 0.07 -0.04 3.93 2.66 3hg7A1 ALA 282 H -0.04 0.08 -0.43 -0.55 8.40 7.46 3hg7A1 ALA 282 HA 0.22 0.17 0.69 -0.75 4.34 4.67 3hg7A1 ALA 282 HB3 0.12 -0.00 -0.08 -0.04 1.41 1.42 3hg7A1 TYR 283 H 0.34 0.21 -0.04 -0.55 8.29 8.25 3hg7A1 TYR 283 HA -0.05 0.04 0.39 -0.75 4.56 4.18 3hg7A1 TYR 283 HB2 -0.09 0.10 0.06 -0.04 3.06 3.08 3hg7A1 TYR 283 HB3 -0.51 -0.02 -0.04 -0.04 2.98 2.37 3hg7A1 TYR 283 HD2 -0.85 -0.02 -0.18 -0.04 7.15 6.05 3hg7A1 TYR 283 HE2 -0.15 -0.02 0.01 -0.04 6.85 6.64 3hg7A1 SER 284 H -0.83 0.15 0.14 -0.55 8.46 7.36 3hg7A1 SER 284 HA 0.20 0.10 0.70 -0.75 4.49 4.74 3hg7A1 SER 284 HB2 -0.15 -0.10 0.26 -0.04 3.95 3.92 3hg7A1 SER 284 HB3 0.07 0.01 0.08 -0.04 3.93 4.04 3hg7A1 PHE 285 H 0.33 0.23 0.07 -0.55 8.34 8.42 3hg7A1 PHE 285 HA 0.24 0.18 0.41 -0.75 4.62 4.69 3hg7A1 PHE 285 HB2 0.06 0.01 0.13 -0.04 3.15 3.31 3hg7A1 PHE 285 HB3 0.06 -0.05 0.02 -0.04 3.06 3.06 3hg7A1 PHE 285 HD2 0.15 0.06 -0.01 -0.04 7.28 7.44 3hg7A1 PHE 285 HE2 0.12 0.01 -0.01 -0.04 7.38 7.46 3hg7A1 PHE 285 HZ 0.07 0.05 -0.02 -0.04 7.32 7.38 3hg7A1 PRO 286 HA -0.07 0.08 0.21 -0.51 4.44 4.14 3hg7A1 PRO 286 HB2 -1.30 0.06 0.01 -0.04 2.28 1.01 3hg7A1 PRO 286 HB3 -1.38 0.02 0.01 -0.04 2.02 0.63 3hg7A1 PRO 286 HG2 -0.23 0.05 0.11 -0.04 2.03 1.91 3hg7A1 PRO 286 HG3 -0.37 0.04 0.11 -0.04 2.03 1.77 3hg7A1 PRO 286 HD2 0.08 0.11 0.21 -0.04 3.68 4.04 3hg7A1 PRO 286 HD3 0.10 0.23 0.27 -0.04 3.65 4.21 3hg7A1 ASP 287 H -0.10 0.15 -0.15 -0.55 8.40 7.75 3hg7A1 ASP 287 HA -0.03 0.10 0.35 -0.75 4.63 4.29 3hg7A1 ASP 287 HB2 0.05 -0.03 0.03 -0.04 2.71 2.71 3hg7A1 ASP 287 HB3 0.03 0.09 -0.00 -0.04 2.70 2.77 3hg7A1 ASP 288 H 0.08 0.17 -0.31 -0.55 8.40 7.79 3hg7A1 ASP 288 HA 0.03 0.16 0.57 -0.75 4.63 4.64 3hg7A1 ASP 288 HB2 0.04 0.02 0.10 -0.04 2.71 2.83 3hg7A1 ASP 288 HB3 -0.03 0.00 -0.00 -0.04 2.70 2.63 3hg7A1 VAL 289 H 0.10 0.47 -0.06 -0.55 8.24 8.20 3hg7A1 VAL 289 HA 0.09 0.06 0.45 -0.75 4.13 3.98 3hg7A1 VAL 289 HB 0.31 -0.00 -0.01 -0.04 2.12 2.38 3hg7A1 VAL 289 HG13 0.04 -0.00 -0.13 -0.04 0.97 0.84 3hg7A1 VAL 289 HG23 0.11 0.04 -0.12 -0.04 0.95 0.94 3hg7A1 ALA 290 H 0.18 0.76 -0.12 -0.55 8.40 8.67 3hg7A1 ALA 290 HA 0.18 0.01 0.35 -0.75 4.34 4.12 3hg7A1 ALA 290 HB3 0.16 0.02 0.01 -0.04 1.41 1.55 3hg7A1 GLN 291 H 0.10 0.29 -0.36 -0.55 8.47 7.96 3hg7A1 GLN 291 HA 0.10 0.05 0.46 -0.75 4.36 4.23 3hg7A1 GLN 291 HB2 0.06 0.11 0.16 -0.04 2.15 2.44 3hg7A1 GLN 291 HB3 0.05 0.13 0.13 -0.04 2.02 2.29 3hg7A1 GLN 291 HG2 0.05 -0.02 -0.08 -0.04 2.40 2.30 3hg7A1 GLN 291 HG3 0.05 0.00 0.04 -0.04 2.39 2.45 3hg7A1 GLN 291 HE21 0.01 -0.02 -0.01 -0.04 6.97 6.91 3hg7A1 GLN 291 HE22 0.03 0.01 -0.01 -0.04 7.69 7.67 3hg7A1 ILE 292 H 0.11 0.36 -0.22 -0.55 8.25 7.95 3hg7A1 ILE 292 HA 0.08 0.01 0.45 -0.75 4.18 3.97 3hg7A1 ILE 292 HB 0.12 0.12 0.19 -0.04 1.89 2.28 3hg7A1 ILE 292 HG12 0.04 -0.02 0.05 -0.04 1.49 1.52 3hg7A1 ILE 292 HG13 0.04 0.10 0.08 -0.04 1.21 1.39 3hg7A1 ILE 292 HG23 0.12 -0.01 -0.09 -0.04 0.93 0.91 3hg7A1 ILE 292 HD13 0.01 -0.04 0.01 -0.04 0.88 0.82 3hg7A1 PHE 293 H 0.27 0.53 -0.14 -0.55 8.34 8.45 3hg7A1 PHE 293 HA 0.30 0.03 0.36 -0.75 4.62 4.56 3hg7A1 PHE 293 HB2 -0.01 -0.03 0.03 -0.04 3.15 3.09 3hg7A1 PHE 293 HB3 0.04 0.08 0.14 -0.04 3.06 3.29 3hg7A1 PHE 293 HD2 -0.13 0.02 -0.14 -0.04 7.28 7.00 3hg7A1 PHE 293 HE2 -0.46 0.03 -0.15 -0.04 7.38 6.76 3hg7A1 PHE 293 HZ -0.10 0.03 -0.13 -0.04 7.32 7.08 3hg7A1 VAL 294 H 0.28 0.66 -0.07 -0.55 8.24 8.55 3hg7A1 VAL 294 HA 0.14 0.02 0.35 -0.75 4.13 3.88 3hg7A1 VAL 294 HB 0.15 0.05 0.13 -0.04 2.12 2.41 3hg7A1 VAL 294 HG13 0.12 0.00 -0.09 -0.04 0.97 0.97 3hg7A1 VAL 294 HG23 0.24 0.02 0.00 -0.04 0.95 1.16 3hg7A1 ARG 295 H 0.09 0.51 -0.17 -0.55 8.46 8.34 3hg7A1 ARG 295 HA 0.04 0.04 0.48 -0.75 4.34 4.15 3hg7A1 ARG 295 HB2 0.04 0.06 0.15 -0.04 1.90 2.11 3hg7A1 ARG 295 HB3 0.01 -0.05 0.03 -0.04 1.80 1.76 3hg7A1 ARG 295 HG2 0.04 -0.02 0.03 -0.04 1.67 1.68 3hg7A1 ARG 295 HG3 0.05 0.15 0.08 -0.04 1.67 1.91 3hg7A1 ARG 295 HD2 0.02 -0.02 -0.00 -0.04 3.22 3.18 3hg7A1 ARG 295 HD3 0.03 -0.03 -0.02 -0.04 3.22 3.16 3hg7A1 ASN 296 H 0.03 0.59 -0.10 -0.55 8.53 8.51 3hg7A1 ASN 296 HA -0.17 -0.02 0.53 -0.75 4.76 4.34 3hg7A1 ASN 296 HB2 0.13 0.22 0.20 -0.04 2.88 3.39 3hg7A1 ASN 296 HB3 -0.49 -0.03 -0.02 -0.04 2.79 2.21 3hg7A1 ASN 296 HD21 0.07 0.41 0.11 -0.04 7.03 7.57 3hg7A1 ASN 296 HD22 0.27 -0.03 -0.02 -0.04 7.74 7.92 3hg7A1 TYR 297 H 0.01 0.59 -0.18 -0.55 8.29 8.15 3hg7A1 TYR 297 HA -0.07 -0.01 0.41 -0.75 4.56 4.13 3hg7A1 TYR 297 HB2 -0.42 -0.01 0.03 -0.04 3.06 2.61 3hg7A1 TYR 297 HB3 -0.06 0.11 0.14 -0.04 2.98 3.13 3hg7A1 TYR 297 HD2 0.19 -0.00 -0.10 -0.04 7.15 7.19 3hg7A1 TYR 297 HE2 0.20 0.01 -0.09 -0.04 6.85 6.93 3hg7A1 ILE 298 H 0.08 0.52 -0.10 -0.55 8.25 8.20 3hg7A1 ILE 298 HA -0.07 0.03 0.42 -0.75 4.18 3.80 3hg7A1 ILE 298 HB -0.00 0.11 0.13 -0.04 1.89 2.09 3hg7A1 ILE 298 HG12 0.11 0.32 0.15 -0.04 1.49 2.03 3hg7A1 ILE 298 HG13 0.06 -0.07 0.03 -0.04 1.21 1.19 3hg7A1 ILE 298 HG23 -0.01 -0.02 -0.08 -0.04 0.93 0.77 3hg7A1 ILE 298 HD13 0.15 -0.02 -0.00 -0.04 0.88 0.97 3hg7A1 ARG 299 H -0.11 0.36 -0.23 -0.55 8.46 7.93 3hg7A1 ARG 299 HA -0.11 -0.00 0.45 -0.75 4.34 3.92 3hg7A1 ARG 299 HB2 -0.18 0.05 0.11 -0.04 1.90 1.83 3hg7A1 ARG 299 HB3 -0.13 0.09 -0.22 -0.04 1.80 1.50 3hg7A1 ARG 299 HG2 -0.08 -0.04 -0.03 -0.04 1.67 1.48 3hg7A1 ARG 299 HG3 -0.07 -0.00 0.02 -0.04 1.67 1.58 3hg7A1 ARG 299 HD2 -0.10 -0.02 -0.02 -0.04 3.22 3.03 3hg7A1 ARG 299 HD3 -0.10 0.15 0.06 -0.04 3.22 3.29 3hg7A1 PHE 300 H -0.21 0.66 -0.07 -0.55 8.34 8.17 3hg7A1 PHE 300 HA -0.31 0.04 0.30 -0.75 4.62 3.90 3hg7A1 PHE 300 HB2 -0.88 -0.03 0.08 -0.04 3.15 2.29 3hg7A1 PHE 300 HB3 -0.45 0.09 0.20 -0.04 3.06 2.86 3hg7A1 PHE 300 HD2 -0.18 0.01 -0.05 -0.04 7.28 7.02 3hg7A1 PHE 300 HE2 0.15 0.01 -0.09 -0.04 7.38 7.41 3hg7A1 PHE 300 HZ 0.19 0.01 -0.04 -0.04 7.32 7.44 3hg7A1 ILE 301 H -0.29 0.58 -0.10 -0.55 8.25 7.89 3hg7A1 ILE 301 HA -0.47 0.07 0.47 -0.75 4.18 3.50 3hg7A1 ILE 301 HB -0.19 -0.04 0.11 -0.04 1.89 1.72 3hg7A1 ILE 301 HG12 -0.31 0.17 0.09 -0.04 1.49 1.39 3hg7A1 ILE 301 HG13 -0.16 0.01 -0.21 -0.04 1.21 0.80 3hg7A1 ILE 301 HG23 -0.47 0.02 -0.00 -0.04 0.93 0.44 3hg7A1 ILE 301 HD13 -0.11 -0.03 -0.04 -0.04 0.88 0.66 3hg7A1 ASP 302 H -0.20 0.32 -0.45 -0.55 8.40 7.52 3hg7A1 ASP 302 HA -0.13 0.11 0.79 -0.75 4.63 4.65 3hg7A1 ASP 302 HB2 -0.11 0.10 0.15 -0.04 2.71 2.80 3hg7A1 ASP 302 HB3 -0.09 -0.09 0.14 -0.04 2.70 2.62 3hg7A1 GLY 303 H -0.28 0.43 -0.30 -0.55 8.43 7.74 3hg7A1 GLY 303 HA2 -0.21 0.04 0.31 -0.51 4.01 3.64 3hg7A1 GLY 303 HA3 -0.14 -0.01 0.50 -0.51 4.01 3.85 3hg7A1 GLN 304 H -0.14 0.43 -0.20 -0.55 8.47 8.02 3hg7A1 GLN 304 HA -0.08 0.14 0.70 -0.75 4.36 4.37 3hg7A1 GLN 304 HB2 -0.09 -0.04 0.05 -0.04 2.15 2.02 3hg7A1 GLN 304 HB3 -0.07 -0.02 0.05 -0.04 2.02 1.94 3hg7A1 GLN 304 HG2 -0.07 0.01 -0.09 -0.04 2.40 2.21 3hg7A1 GLN 304 HG3 -0.08 0.11 -0.19 -0.04 2.39 2.19 3hg7A1 GLN 304 HE21 -0.05 -0.06 -0.02 -0.04 6.97 6.81 3hg7A1 GLN 304 HE22 -0.07 0.01 -0.01 -0.04 7.69 7.59 3hg7A1 PRO 305 HA -0.07 0.02 0.35 -0.51 4.44 4.22 3hg7A1 PRO 305 HB2 -0.05 -0.02 -0.02 -0.04 2.28 2.14 3hg7A1 PRO 305 HB3 -0.05 0.01 0.07 -0.04 2.02 2.01 3hg7A1 PRO 305 HG2 -0.04 -0.01 0.07 -0.04 2.03 2.01 3hg7A1 PRO 305 HG3 -0.04 0.05 0.08 -0.04 2.03 2.08 3hg7A1 PRO 305 HD2 -0.06 0.06 0.16 -0.04 3.68 3.80 3hg7A1 PRO 305 HD3 -0.06 0.18 0.21 -0.04 3.65 3.94 3hg7A1 LEU 306 H -0.11 0.09 0.15 -0.55 8.37 7.94 3hg7A1 LEU 306 HA -0.18 0.13 0.68 -0.75 4.35 4.22 3hg7A1 LEU 306 HB2 -0.16 -0.08 -0.05 -0.04 1.64 1.32 3hg7A1 LEU 306 HB3 -0.30 0.03 0.04 -0.04 1.64 1.37 3hg7A1 LEU 306 HG -0.20 0.01 0.03 -0.04 1.64 1.44 3hg7A1 LEU 306 HD13 -0.77 -0.01 -0.07 -0.04 0.93 0.03 3hg7A1 LEU 306 HD23 -0.41 0.03 -0.10 -0.04 0.89 0.36 3hg7A1 ASP 307 H -0.08 0.16 0.16 -0.55 8.40 8.09 3hg7A1 ASP 307 HA -0.03 0.09 0.75 -0.75 4.63 4.69 3hg7A1 ASP 307 HB2 -0.02 0.08 0.08 -0.04 2.71 2.80 3hg7A1 ASP 307 HB3 -0.00 0.03 0.07 -0.04 2.70 2.75 3hg7A1 GLY 308 H -0.00 0.13 0.15 -0.55 8.43 8.17 3hg7A1 GLY 308 HA2 0.02 -0.04 0.26 -0.51 4.01 3.74 3hg7A1 GLY 308 HA3 0.04 0.17 0.45 -0.51 4.01 4.17 3hg7A1 LYS 309 H -0.02 0.07 -0.21 -0.55 8.42 7.70 3hg7A1 LYS 309 HA -0.03 0.20 0.38 -0.75 4.32 4.12 3hg7A1 LYS 309 HB2 -0.05 0.03 -0.06 -0.04 1.87 1.75 3hg7A1 LYS 309 HB3 -0.05 -0.04 0.05 -0.04 1.79 1.71 3hg7A1 LYS 309 HG2 -0.06 -0.05 -0.12 -0.04 1.46 1.19 3hg7A1 LYS 309 HG3 -0.09 0.01 -0.63 -0.04 1.46 0.70 3hg7A1 LYS 309 HD2 -0.11 0.11 0.06 -0.04 1.69 1.72 3hg7A1 LYS 309 HD3 -0.04 0.01 -0.03 -0.04 1.68 1.58 3hg7A1 LYS 309 HE2 -0.03 -0.00 -0.00 -0.04 2.99 2.92 3hg7A1 LYS 309 HE3 -0.04 -0.04 -0.01 -0.04 2.99 2.86 3hg7A1 ILE 310 H -0.13 0.76 0.39 -0.55 8.25 8.72 3hg7A1 ILE 310 HA -0.12 0.03 0.73 -0.75 4.18 4.07 3hg7A1 ILE 310 HB -0.34 0.05 0.09 -0.04 1.89 1.64 3hg7A1 ILE 310 HG12 -0.09 0.11 -0.11 -0.04 1.49 1.36 3hg7A1 ILE 310 HG13 -0.11 -0.07 -0.16 -0.04 1.21 0.83 3hg7A1 ILE 310 HG23 -0.25 -0.02 -0.25 -0.04 0.93 0.37 3hg7A1 ILE 310 HD13 -0.05 -0.01 -0.13 -0.04 0.88 0.65 3hg7A1 ASP 311 H -0.11 0.14 0.12 -0.55 8.40 8.01 3hg7A1 ASP 311 HA -0.13 0.12 0.76 -0.75 4.63 4.63 3hg7A1 ASP 311 HB2 -0.05 0.05 0.07 -0.04 2.71 2.74 3hg7A1 ASP 311 HB3 -0.04 0.01 0.16 -0.04 2.70 2.79 3hg7A1 PHE 312 H -0.08 0.22 0.15 -0.55 8.34 8.08 3hg7A1 PHE 312 HA -0.02 0.08 0.40 -0.75 4.62 4.32 3hg7A1 PHE 312 HB2 -0.04 -0.04 0.16 -0.04 3.15 3.18 3hg7A1 PHE 312 HB3 -0.03 0.05 0.05 -0.04 3.06 3.09 3hg7A1 PHE 312 HD2 -0.07 -0.00 0.09 -0.04 7.28 7.25 3hg7A1 PHE 312 HE2 -0.27 0.13 -0.01 -0.04 7.38 7.19 3hg7A1 PHE 312 HZ -0.51 -0.06 -0.05 -0.04 7.32 6.65 3hg7A1 ASP 313 H 0.08 -0.02 -0.26 -0.55 8.40 7.66 3hg7A1 ASP 313 HA 0.06 0.22 0.57 -0.75 4.63 4.72 3hg7A1 ASP 313 HB2 0.03 -0.01 0.03 -0.04 2.71 2.72 3hg7A1 ASP 313 HB3 0.03 0.02 0.04 -0.04 2.70 2.75