============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 4 1.040 -17.703 -11.113 15.140 -99.200 -91.000 TRP6 4 1.020 -19.380 -12.702 15.643 -99.200 -91.000 TYR 17 0.840 -19.744 -3.836 21.326 -99.200 -91.000 TRP 36 1.040 -16.088 -5.245 10.746 -99.200 -91.000 TRP6 36 1.020 -15.545 -5.372 8.458 -99.200 -91.000 PHE 47 1.000 -29.238 -16.749 15.555 -99.200 -91.000 TRP 49 1.040 -21.224 -19.941 9.023 -99.200 -91.000 TRP6 49 1.020 -19.288 -21.084 8.312 -99.200 -91.000 PHE 52 1.000 -25.382 -26.291 15.585 -99.200 -91.000 TRP 95 1.040 11.154 -5.422 51.631 -99.200 -91.000 TRP6 95 1.020 12.627 -5.753 53.448 -99.200 -91.000 TYR 107 0.840 2.994 -12.956 46.036 -99.200 -91.000 TYR 128 0.840 3.832 -10.903 57.822 -99.200 -91.000 PHE 140 1.000 9.685 -7.431 65.724 -99.200 -91.000 TYR 156 0.840 -3.309 -14.846 57.839 -99.200 -91.000 TYR 169 0.840 -23.676 -10.078 80.511 -99.200 -91.000 TYR 178 0.840 -14.031 -12.653 76.754 -99.200 -91.000 HIS 183 0.900 -17.256 -5.717 75.173 -99.200 -91.000 TYR 199 0.840 -20.628 -21.958 79.233 -99.200 -91.000 TRP 222 1.040 -15.631 -31.946 81.915 -99.200 -91.000 TRP6 222 1.020 -16.593 -30.022 82.880 -99.200 -91.000 PHE 224 1.000 -13.812 -35.920 81.317 -99.200 -91.000 TYR 250 0.840 -11.976 -41.248 67.236 -99.200 -91.000 HIS 271 0.900 -0.152 -38.213 65.667 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hh2D1 GLY 1 HA2 -0.17 -0.00 -0.03 -0.51 4.01 3.30 3hh2D1 GLY 1 HA3 -0.33 0.06 0.29 -0.51 4.01 3.53 3hh2D1 ASN 2 H -0.43 0.47 0.23 -0.55 8.53 8.26 3hh2D1 ASN 2 HA -0.16 0.18 1.10 -0.75 4.76 5.13 3hh2D1 ASN 2 HB2 0.03 -0.03 0.08 -0.04 2.88 2.91 3hh2D1 ASN 2 HB3 -0.70 0.02 0.02 -0.04 2.79 2.09 3hh2D1 ASN 2 HD21 -0.02 -0.09 0.02 -0.04 7.03 6.90 3hh2D1 ASN 2 HD22 0.11 0.02 -0.01 -0.04 7.74 7.81 3hh2D1 CYS 3 H -0.25 0.67 0.38 -0.55 8.50 8.75 3hh2D1 CYS 3 HA 0.22 0.29 0.95 -0.75 4.58 5.29 3hh2D1 CYS 3 HB2 0.20 -0.01 -0.04 -0.04 2.97 3.07 3hh2D1 CYS 3 HB3 0.19 -0.17 0.15 -0.04 2.97 3.09 3hh2D1 TRP 4 H 0.32 0.97 0.43 -0.55 7.97 9.14 3hh2D1 TRP 4 HA 0.10 0.13 0.94 -0.75 4.62 5.04 3hh2D1 TRP 4 HB2 0.05 0.01 -0.08 -0.04 3.23 3.17 3hh2D1 TRP 4 HB3 0.05 0.10 -0.08 -0.04 3.23 3.25 3hh2D1 TRP 4 HD1 0.01 0.12 -0.35 -0.04 7.22 6.96 3hh2D1 TRP 4 HE1 -0.14 -0.01 -0.16 -0.04 10.20 9.85 3hh2D1 TRP 4 HE3 0.05 -0.03 -0.88 -0.04 7.59 6.69 3hh2D1 TRP 4 HZ2 -0.04 0.01 -0.09 -0.04 7.44 7.28 3hh2D1 TRP 4 HZ3 0.06 -0.10 -0.11 -0.04 7.13 6.95 3hh2D1 TRP 4 HH2 0.07 -0.00 -0.08 -0.04 7.19 7.14 3hh2D1 LEU 5 H 0.26 0.73 0.36 -0.55 8.37 9.17 3hh2D1 LEU 5 HA 0.04 -0.00 0.45 -0.75 4.35 4.08 3hh2D1 LEU 5 HB2 0.13 0.05 0.20 -0.04 1.64 1.99 3hh2D1 LEU 5 HB3 0.06 -0.04 0.03 -0.04 1.64 1.65 3hh2D1 LEU 5 HG 0.13 0.08 -0.04 -0.04 1.64 1.77 3hh2D1 LEU 5 HD13 0.06 -0.02 -0.01 -0.04 0.93 0.92 3hh2D1 LEU 5 HD23 -0.10 -0.03 -0.07 -0.04 0.89 0.66 3hh2D1 ARG 6 H 0.20 0.31 -0.00 -0.55 8.46 8.42 3hh2D1 ARG 6 HA 0.07 0.37 0.60 -0.75 4.34 4.62 3hh2D1 ARG 6 HB2 0.04 0.06 -0.04 -0.04 1.90 1.91 3hh2D1 ARG 6 HB3 0.05 0.04 -0.31 -0.04 1.80 1.53 3hh2D1 ARG 6 HG2 0.09 0.06 -0.12 -0.04 1.67 1.66 3hh2D1 ARG 6 HG3 0.04 -0.06 -0.43 -0.04 1.67 1.18 3hh2D1 ARG 6 HD2 0.05 -0.00 -0.15 -0.04 3.22 3.07 3hh2D1 ARG 6 HD3 0.04 -0.08 -0.16 -0.04 3.22 2.98 3hh2D1 GLN 7 H 0.03 0.26 0.11 -0.55 8.47 8.32 3hh2D1 GLN 7 HA -0.05 0.15 0.78 -0.75 4.36 4.49 3hh2D1 GLN 7 HB2 0.00 -0.03 -0.08 -0.04 2.15 2.00 3hh2D1 GLN 7 HB3 0.01 0.01 0.10 -0.04 2.02 2.09 3hh2D1 GLN 7 HG2 -0.02 0.12 -0.29 -0.04 2.40 2.17 3hh2D1 GLN 7 HG3 -0.05 0.07 -0.36 -0.04 2.39 2.01 3hh2D1 GLN 7 HE21 -0.01 -0.05 0.02 -0.04 6.97 6.89 3hh2D1 GLN 7 HE22 -0.03 0.37 0.07 -0.04 7.69 8.06 3hh2D1 ALA 8 H -0.05 0.63 0.10 -0.55 8.40 8.53 3hh2D1 ALA 8 HA -0.00 0.09 0.38 -0.75 4.34 4.05 3hh2D1 ALA 8 HB3 -0.02 -0.03 0.08 -0.04 1.41 1.40 3hh2D1 LYS 9 H -0.00 0.12 0.15 -0.55 8.42 8.13 3hh2D1 LYS 9 HA -0.00 0.20 0.50 -0.75 4.32 4.27 3hh2D1 LYS 9 HB2 -0.00 -0.05 0.14 -0.04 1.87 1.91 3hh2D1 LYS 9 HB3 -0.00 0.03 0.04 -0.04 1.79 1.81 3hh2D1 LYS 9 HG2 0.00 -0.01 0.05 -0.04 1.46 1.46 3hh2D1 LYS 9 HG3 0.00 -0.01 0.04 -0.04 1.46 1.45 3hh2D1 LYS 9 HD2 0.00 -0.01 0.03 -0.04 1.69 1.67 3hh2D1 LYS 9 HD3 -0.00 0.05 0.09 -0.04 1.68 1.78 3hh2D1 LYS 9 HE2 0.00 0.03 -0.01 -0.04 2.99 2.97 3hh2D1 LYS 9 HE3 0.00 0.06 -0.04 -0.04 2.99 2.97 3hh2D1 ASN 10 H -0.01 0.04 -0.16 -0.55 8.53 7.85 3hh2D1 ASN 10 HA -0.00 0.15 0.59 -0.75 4.76 4.74 3hh2D1 ASN 10 HB2 0.00 0.04 0.12 -0.04 2.88 3.00 3hh2D1 ASN 10 HB3 -0.00 -0.02 0.08 -0.04 2.79 2.80 3hh2D1 ASN 10 HD21 -0.01 0.48 0.13 -0.04 7.03 7.59 3hh2D1 ASN 10 HD22 0.00 -0.05 0.03 -0.04 7.74 7.68 3hh2D1 GLY 11 H -0.02 0.40 -0.73 -0.55 8.43 7.53 3hh2D1 GLY 11 HA2 -0.02 0.10 0.21 -0.51 4.01 3.78 3hh2D1 GLY 11 HA3 -0.02 0.09 0.56 -0.51 4.01 4.13 3hh2D1 ARG 12 H -0.05 -0.03 -0.38 -0.55 8.46 7.46 3hh2D1 ARG 12 HA -0.14 0.14 0.68 -0.75 4.34 4.26 3hh2D1 ARG 12 HB2 -0.06 0.17 -0.16 -0.04 1.90 1.81 3hh2D1 ARG 12 HB3 -0.14 -0.03 -0.46 -0.04 1.80 1.12 3hh2D1 ARG 12 HG2 -0.07 -0.11 -0.26 -0.04 1.67 1.19 3hh2D1 ARG 12 HG3 -0.02 0.02 -0.28 -0.04 1.67 1.34 3hh2D1 ARG 12 HD2 0.07 0.09 -0.15 -0.04 3.22 3.19 3hh2D1 ARG 12 HD3 0.08 0.14 -0.40 -0.04 3.22 2.99 3hh2D1 CYS 13 H -0.42 0.69 0.22 -0.55 8.50 8.45 3hh2D1 CYS 13 HA -0.28 0.24 0.66 -0.75 4.58 4.45 3hh2D1 CYS 13 HB2 -1.08 0.07 0.09 -0.04 2.97 2.01 3hh2D1 CYS 13 HB3 -2.18 -0.06 -0.15 -0.04 2.97 0.54 3hh2D1 GLN 14 H -0.04 0.69 0.32 -0.55 8.47 8.89 3hh2D1 GLN 14 HA -0.01 0.05 0.78 -0.75 4.36 4.43 3hh2D1 GLN 14 HB2 0.03 0.02 -0.08 -0.04 2.15 2.07 3hh2D1 GLN 14 HB3 0.06 -0.04 -0.01 -0.04 2.02 1.99 3hh2D1 GLN 14 HG2 -0.06 0.03 -0.10 -0.04 2.40 2.23 3hh2D1 GLN 14 HG3 -0.11 0.03 -0.72 -0.04 2.39 1.55 3hh2D1 GLN 14 HE21 -0.01 -0.11 -0.04 -0.04 6.97 6.77 3hh2D1 GLN 14 HE22 -0.03 0.49 -0.10 -0.04 7.69 8.00 3hh2D1 VAL 15 H 0.33 0.12 0.11 -0.55 8.24 8.25 3hh2D1 VAL 15 HA 0.20 0.02 0.40 -0.75 4.13 4.00 3hh2D1 VAL 15 HB 0.19 0.21 0.31 -0.04 2.12 2.79 3hh2D1 VAL 15 HG13 0.12 0.00 -0.02 -0.04 0.97 1.03 3hh2D1 VAL 15 HG23 0.10 -0.00 -0.13 -0.04 0.95 0.87 3hh2D1 LEU 16 H 0.19 0.07 0.11 -0.55 8.37 8.20 3hh2D1 LEU 16 HA -0.54 0.12 0.41 -0.75 4.35 3.58 3hh2D1 LEU 16 HB2 -0.23 -0.04 0.05 -0.04 1.64 1.38 3hh2D1 LEU 16 HB3 -0.08 -0.01 0.09 -0.04 1.64 1.60 3hh2D1 LEU 16 HG -0.32 0.04 -0.30 -0.04 1.64 1.01 3hh2D1 LEU 16 HD13 -1.19 0.04 -0.05 -0.04 0.93 -0.31 3hh2D1 LEU 16 HD23 -0.11 -0.01 -0.10 -0.04 0.89 0.62 3hh2D1 TYR 17 H -0.18 0.63 0.45 -0.55 8.29 8.64 3hh2D1 TYR 17 HA -0.06 0.16 0.95 -0.75 4.56 4.86 3hh2D1 TYR 17 HB2 -0.01 -0.01 -0.06 -0.04 3.06 2.94 3hh2D1 TYR 17 HB3 -0.06 0.06 -0.07 -0.04 2.98 2.86 3hh2D1 TYR 17 HD2 -0.01 -0.01 -0.07 -0.04 7.15 7.01 3hh2D1 TYR 17 HE2 0.00 -0.01 -0.05 -0.04 6.85 6.75 3hh2D1 LYS 18 H -0.15 0.36 0.34 -0.55 8.42 8.42 3hh2D1 LYS 18 HA -0.24 0.13 0.73 -0.75 4.32 4.19 3hh2D1 LYS 18 HB2 0.03 -0.06 -0.04 -0.04 1.87 1.76 3hh2D1 LYS 18 HB3 -0.06 0.10 -0.11 -0.04 1.79 1.68 3hh2D1 LYS 18 HG2 -0.23 -0.00 0.06 -0.04 1.46 1.25 3hh2D1 LYS 18 HG3 -0.76 0.18 -0.15 -0.04 1.46 0.70 3hh2D1 LYS 18 HD2 -0.01 -0.00 -0.11 -0.04 1.69 1.53 3hh2D1 LYS 18 HD3 0.08 -0.02 -0.11 -0.04 1.68 1.59 3hh2D1 LYS 18 HE2 -0.04 0.01 -0.03 -0.04 2.99 2.89 3hh2D1 LYS 18 HE3 -0.14 0.00 -0.02 -0.04 2.99 2.79 3hh2D1 THR 19 H -0.11 0.19 0.16 -0.55 8.28 7.97 3hh2D1 THR 19 HA -0.12 0.20 1.13 -0.75 4.39 4.84 3hh2D1 THR 19 HB -0.06 -0.01 0.09 -0.04 4.32 4.30 3hh2D1 THR 19 HG23 -0.12 -0.01 -0.11 -0.04 1.22 0.93 3hh2D1 GLU 20 H -0.03 0.14 0.16 -0.55 8.60 8.32 3hh2D1 GLU 20 HA 0.03 0.15 0.43 -0.75 4.29 4.14 3hh2D1 GLU 20 HB2 0.01 -0.02 0.16 -0.04 2.09 2.19 3hh2D1 GLU 20 HB3 -0.01 -0.08 0.03 -0.04 1.99 1.89 3hh2D1 GLU 20 HG2 -0.02 0.30 -0.67 -0.04 2.34 1.92 3hh2D1 GLU 20 HG3 0.00 -0.02 0.18 -0.04 2.34 2.46 3hh2D1 LEU 21 H 0.14 0.73 0.09 -0.55 8.37 8.77 3hh2D1 LEU 21 HA 0.09 0.05 0.48 -0.75 4.35 4.21 3hh2D1 LEU 21 HB2 0.08 -0.16 0.08 -0.04 1.64 1.60 3hh2D1 LEU 21 HB3 0.06 0.14 -0.10 -0.04 1.64 1.70 3hh2D1 LEU 21 HG 0.12 0.02 -0.38 -0.04 1.64 1.36 3hh2D1 LEU 21 HD13 0.30 -0.05 -0.42 -0.04 0.93 0.72 3hh2D1 LEU 21 HD23 0.10 -0.01 -0.17 -0.04 0.89 0.76 3hh2D1 SER 22 H 0.06 0.05 0.10 -0.55 8.46 8.13 3hh2D1 SER 22 HA 0.24 0.29 0.59 -0.75 4.49 4.86 3hh2D1 SER 22 HB2 -0.10 -0.04 0.10 -0.04 3.95 3.88 3hh2D1 SER 22 HB3 0.02 0.10 0.05 -0.04 3.93 4.06 3hh2D1 LYS 23 H -0.88 0.18 0.11 -0.55 8.42 7.28 3hh2D1 LYS 23 HA -1.95 0.13 0.24 -0.75 4.32 1.98 3hh2D1 LYS 23 HB2 -1.98 0.02 0.09 -0.04 1.87 -0.04 3hh2D1 LYS 23 HB3 -0.68 -0.04 0.05 -0.04 1.79 1.08 3hh2D1 LYS 23 HG2 -0.45 0.03 -0.13 -0.04 1.46 0.86 3hh2D1 LYS 23 HG3 -0.73 0.04 -0.04 -0.04 1.46 0.69 3hh2D1 LYS 23 HD2 -0.24 -0.02 -0.04 -0.04 1.69 1.35 3hh2D1 LYS 23 HD3 -0.27 -0.04 -0.06 -0.04 1.68 1.27 3hh2D1 LYS 23 HE2 -0.09 0.04 -0.07 -0.04 2.99 2.83 3hh2D1 LYS 23 HE3 0.03 0.07 -0.10 -0.04 2.99 2.94 3hh2D1 GLU 24 H -0.32 0.03 -0.18 -0.55 8.60 7.58 3hh2D1 GLU 24 HA -0.16 0.16 0.21 -0.75 4.29 3.74 3hh2D1 GLU 24 HB2 -0.10 -0.03 -0.07 -0.04 2.09 1.86 3hh2D1 GLU 24 HB3 -0.09 0.08 -0.01 -0.04 1.99 1.92 3hh2D1 GLU 24 HG2 -0.10 0.05 -0.01 -0.04 2.34 2.24 3hh2D1 GLU 24 HG3 -0.17 0.03 -0.01 -0.04 2.34 2.16 3hh2D1 GLU 25 H -0.11 -0.03 -0.34 -0.55 8.60 7.57 3hh2D1 GLU 25 HA -0.03 0.09 0.50 -0.75 4.29 4.10 3hh2D1 GLU 25 HB2 0.00 0.01 0.11 -0.04 2.09 2.17 3hh2D1 GLU 25 HB3 0.02 0.05 -0.02 -0.04 1.99 1.99 3hh2D1 GLU 25 HG2 -0.01 0.05 0.00 -0.04 2.34 2.35 3hh2D1 GLU 25 HG3 -0.03 -0.10 0.02 -0.04 2.34 2.19 3hh2D1 CYS 26 H -0.04 0.49 -0.11 -0.55 8.50 8.30 3hh2D1 CYS 26 HA 0.10 -0.04 0.26 -0.75 4.58 4.16 3hh2D1 CYS 26 HB2 0.28 -0.05 -0.12 -0.04 2.97 3.04 3hh2D1 CYS 26 HB3 -0.00 0.09 -0.03 -0.04 2.97 2.98 3hh2D1 CYS 27 H -0.11 0.57 -0.40 -0.55 8.50 8.01 3hh2D1 CYS 27 HA -0.01 0.06 0.28 -0.75 4.58 4.16 3hh2D1 CYS 27 HB2 -0.12 -0.00 -0.01 -0.04 2.97 2.80 3hh2D1 CYS 27 HB3 -0.05 0.02 0.12 -0.04 2.97 3.02 3hh2D1 SER 28 H -0.02 0.46 -0.63 -0.55 8.46 7.71 3hh2D1 SER 28 HA -0.03 0.08 0.28 -0.75 4.49 4.07 3hh2D1 SER 28 HB2 -0.02 -0.15 0.15 -0.04 3.95 3.89 3hh2D1 SER 28 HB3 -0.03 0.28 0.26 -0.04 3.93 4.40 3hh2D1 THR 29 H -0.02 0.15 -0.21 -0.55 8.28 7.64 3hh2D1 THR 29 HA -0.01 0.21 0.99 -0.75 4.39 4.83 3hh2D1 THR 29 HB -0.02 -0.11 0.20 -0.04 4.32 4.36 3hh2D1 THR 29 HG23 -0.01 0.03 -0.05 -0.04 1.22 1.15 3hh2D1 GLY 30 H -0.01 0.08 0.15 -0.55 8.43 8.10 3hh2D1 GLY 30 HA2 -0.01 0.45 0.65 -0.51 4.01 4.59 3hh2D1 GLY 30 HA3 -0.01 -0.06 0.39 -0.51 4.01 3.82 3hh2D1 ARG 31 H -0.03 0.02 -0.36 -0.55 8.46 7.54 3hh2D1 ARG 31 HA -0.02 0.06 0.44 -0.75 4.34 4.07 3hh2D1 ARG 31 HB2 -0.05 -0.03 0.09 -0.04 1.90 1.87 3hh2D1 ARG 31 HB3 -0.05 0.04 0.08 -0.04 1.80 1.83 3hh2D1 ARG 31 HG2 -0.03 -0.11 -0.06 -0.04 1.67 1.42 3hh2D1 ARG 31 HG3 -0.03 0.02 0.07 -0.04 1.67 1.69 3hh2D1 ARG 31 HD2 -0.08 -0.01 0.02 -0.04 3.22 3.12 3hh2D1 ARG 31 HD3 -0.14 0.02 0.01 -0.04 3.22 3.08 3hh2D1 LEU 32 H -0.01 0.13 0.20 -0.55 8.37 8.14 3hh2D1 LEU 32 HA 0.00 0.11 0.19 -0.75 4.35 3.90 3hh2D1 LEU 32 HB2 0.00 -0.02 0.02 -0.04 1.64 1.59 3hh2D1 LEU 32 HB3 0.00 -0.05 0.13 -0.04 1.64 1.69 3hh2D1 LEU 32 HG 0.01 0.09 -0.37 -0.04 1.64 1.32 3hh2D1 LEU 32 HD13 0.00 0.06 -0.20 -0.04 0.93 0.75 3hh2D1 LEU 32 HD23 0.01 -0.00 -0.01 -0.04 0.89 0.84 3hh2D1 SER 33 H 0.00 -0.00 -0.10 -0.55 8.46 7.81 3hh2D1 SER 33 HA 0.02 0.20 0.56 -0.75 4.49 4.52 3hh2D1 SER 33 HB2 0.02 0.06 0.12 -0.04 3.95 4.11 3hh2D1 SER 33 HB3 0.03 -0.08 0.21 -0.04 3.93 4.05 3hh2D1 THR 34 H 0.01 0.07 -0.26 -0.55 8.28 7.55 3hh2D1 THR 34 HA 0.06 0.18 0.34 -0.75 4.39 4.21 3hh2D1 THR 34 HB 0.01 0.07 0.04 -0.04 4.32 4.39 3hh2D1 THR 34 HG23 0.03 0.03 -0.10 -0.04 1.22 1.14 3hh2D1 SER 35 H 0.21 0.68 0.34 -0.55 8.46 9.13 3hh2D1 SER 35 HA 0.19 0.15 0.87 -0.75 4.49 4.94 3hh2D1 SER 35 HB2 0.18 -0.07 -0.23 -0.04 3.95 3.79 3hh2D1 SER 35 HB3 0.13 -0.07 -0.23 -0.04 3.93 3.72 3hh2D1 TRP 36 H 0.34 0.55 0.26 -0.55 7.97 8.58 3hh2D1 TRP 36 HA 0.28 0.32 1.08 -0.75 4.62 5.55 3hh2D1 TRP 36 HB2 0.09 -0.02 -0.21 -0.04 3.23 3.05 3hh2D1 TRP 36 HB3 0.08 0.04 0.04 -0.04 3.23 3.34 3hh2D1 TRP 36 HD1 0.06 -0.04 -0.33 -0.04 7.22 6.86 3hh2D1 TRP 36 HE1 0.03 0.35 -0.37 -0.04 10.20 10.17 3hh2D1 TRP 36 HE3 0.04 0.06 -0.18 -0.04 7.59 7.47 3hh2D1 TRP 36 HZ2 0.02 0.12 0.07 -0.04 7.44 7.60 3hh2D1 TRP 36 HZ3 0.02 -0.00 -0.06 -0.04 7.13 7.04 3hh2D1 TRP 36 HH2 0.01 -0.02 0.02 -0.04 7.19 7.16 3hh2D1 THR 37 H -0.39 0.60 0.34 -0.55 8.28 8.29 3hh2D1 THR 37 HA -0.32 0.29 0.88 -0.75 4.39 4.49 3hh2D1 THR 37 HB -0.20 -0.03 0.04 -0.04 4.32 4.08 3hh2D1 THR 37 HG23 -0.18 0.02 -0.27 -0.04 1.22 0.75 3hh2D1 GLU 38 H -0.50 0.20 0.15 -0.55 8.60 7.91 3hh2D1 GLU 38 HA -1.34 0.13 0.48 -0.75 4.29 2.81 3hh2D1 GLU 38 HB2 -0.15 0.03 0.10 -0.04 2.09 2.03 3hh2D1 GLU 38 HB3 -0.16 -0.02 0.12 -0.04 1.99 1.88 3hh2D1 GLU 38 HG2 -0.00 -0.02 -0.13 -0.04 2.34 2.15 3hh2D1 GLU 38 HG3 0.27 0.00 0.06 -0.04 2.34 2.63 3hh2D1 GLU 39 H -0.25 0.06 -0.00 -0.55 8.60 7.86 3hh2D1 GLU 39 HA -0.10 0.04 0.33 -0.75 4.29 3.81 3hh2D1 ASP 40 H -0.05 0.15 0.24 -0.55 8.40 8.19 3hh2D1 ASP 40 HA -0.05 0.11 0.81 -0.75 4.63 4.74 3hh2D1 ASP 40 HB2 -0.02 -0.05 0.15 -0.04 2.71 2.75 3hh2D1 ASP 40 HB3 -0.02 -0.02 0.06 -0.04 2.70 2.68 3hh2D1 VAL 41 H -0.03 0.25 0.12 -0.55 8.24 8.03 3hh2D1 VAL 41 HA -0.02 0.17 0.83 -0.75 4.13 4.35 3hh2D1 VAL 41 HB 0.00 -0.11 0.05 -0.04 2.12 2.03 3hh2D1 VAL 41 HG13 -0.05 0.02 -0.35 -0.04 0.97 0.55 3hh2D1 VAL 41 HG23 0.01 0.07 -0.18 -0.04 0.95 0.81 3hh2D1 ASN 42 H -0.02 0.11 0.12 -0.55 8.53 8.19 3hh2D1 ASN 42 HA -0.05 0.18 0.50 -0.75 4.76 4.63 3hh2D1 ASN 42 HB2 -0.06 -0.06 0.18 -0.04 2.88 2.90 3hh2D1 ASN 42 HB3 -0.03 0.11 0.14 -0.04 2.79 2.96 3hh2D1 ASN 42 HD21 -0.01 0.05 0.03 -0.04 7.03 7.06 3hh2D1 ASN 42 HD22 -0.02 0.09 0.07 -0.04 7.74 7.84 3hh2D1 ASP 43 H -0.13 0.17 0.18 -0.55 8.40 8.07 3hh2D1 ASP 43 HA -0.37 0.17 0.30 -0.75 4.63 3.97 3hh2D1 ASP 43 HB2 -0.21 -0.05 0.16 -0.04 2.71 2.57 3hh2D1 ASP 43 HB3 -0.57 0.06 -0.01 -0.04 2.70 2.14 3hh2D1 ASN 44 H -0.25 0.11 -0.05 -0.55 8.53 7.79 3hh2D1 ASN 44 HA -0.31 0.11 0.37 -0.75 4.76 4.18 3hh2D1 ASN 44 HB2 -0.07 -0.04 0.06 -0.04 2.88 2.79 3hh2D1 ASN 44 HB3 -0.03 0.08 -0.02 -0.04 2.79 2.78 3hh2D1 ASN 44 HD21 0.01 0.05 0.02 -0.04 7.03 7.06 3hh2D1 ASN 44 HD22 -0.02 0.02 0.02 -0.04 7.74 7.71 3hh2D1 THR 45 H -0.09 0.06 -0.30 -0.55 8.28 7.40 3hh2D1 THR 45 HA 0.08 0.08 0.39 -0.75 4.39 4.18 3hh2D1 THR 45 HB 0.04 0.12 -0.02 -0.04 4.32 4.42 3hh2D1 THR 45 HG23 0.26 0.02 -0.09 -0.04 1.22 1.37 3hh2D1 LEU 46 H -0.12 0.34 -0.41 -0.55 8.37 7.64 3hh2D1 LEU 46 HA 0.24 0.04 0.32 -0.75 4.35 4.20 3hh2D1 LEU 46 HB2 -0.01 0.10 0.03 -0.04 1.64 1.72 3hh2D1 LEU 46 HB3 -0.09 0.12 0.12 -0.04 1.64 1.75 3hh2D1 LEU 46 HG 0.37 -0.05 -0.11 -0.04 1.64 1.81 3hh2D1 LEU 46 HD13 0.27 -0.00 -0.02 -0.04 0.93 1.13 3hh2D1 LEU 46 HD23 0.11 0.00 -0.05 -0.04 0.89 0.92 3hh2D1 PHE 47 H -0.22 0.51 -0.05 -0.55 8.34 8.03 3hh2D1 PHE 47 HA 0.16 0.01 0.44 -0.75 4.62 4.47 3hh2D1 PHE 47 HB2 0.11 0.07 0.12 -0.04 3.15 3.41 3hh2D1 PHE 47 HB3 0.13 -0.02 0.04 -0.04 3.06 3.16 3hh2D1 PHE 47 HD2 0.09 -0.05 -0.08 -0.04 7.28 7.20 3hh2D1 PHE 47 HE2 0.04 -0.02 -0.05 -0.04 7.38 7.32 3hh2D1 PHE 47 HZ 0.03 -0.01 -0.03 -0.04 7.32 7.27 3hh2D1 LYS 48 H 0.19 0.67 -0.14 -0.55 8.42 8.59 3hh2D1 LYS 48 HA 0.20 -0.01 0.39 -0.75 4.32 4.14 3hh2D1 LYS 48 HB2 -0.02 0.02 0.10 -0.04 1.87 1.93 3hh2D1 LYS 48 HB3 -0.03 0.16 0.15 -0.04 1.79 2.02 3hh2D1 LYS 48 HG2 -0.43 0.02 -0.16 -0.04 1.46 0.86 3hh2D1 LYS 48 HG3 -0.28 -0.03 0.02 -0.04 1.46 1.13 3hh2D1 LYS 48 HD2 -0.25 0.01 -0.03 -0.04 1.69 1.37 3hh2D1 LYS 48 HD3 -0.14 -0.05 -0.03 -0.04 1.68 1.42 3hh2D1 LYS 48 HE2 -0.02 -0.03 0.02 -0.04 2.99 2.92 3hh2D1 LYS 48 HE3 -0.46 0.04 -0.05 -0.04 2.99 2.49 3hh2D1 TRP 49 H 0.37 0.47 -0.25 -0.55 7.97 8.01 3hh2D1 TRP 49 HA 0.07 0.05 0.38 -0.75 4.62 4.37 3hh2D1 TRP 49 HB2 0.06 0.05 0.08 -0.04 3.23 3.38 3hh2D1 TRP 49 HB3 -0.01 0.15 -0.12 -0.04 3.23 3.21 3hh2D1 TRP 49 HD1 0.02 0.25 0.02 -0.04 7.22 7.46 3hh2D1 TRP 49 HE1 -0.01 -0.06 -0.02 -0.04 10.20 10.06 3hh2D1 TRP 49 HE3 -0.02 0.21 0.06 -0.04 7.59 7.80 3hh2D1 TRP 49 HZ2 -0.01 -0.04 -0.01 -0.04 7.44 7.34 3hh2D1 TRP 49 HZ3 -0.02 0.05 0.03 -0.04 7.13 7.15 3hh2D1 TRP 49 HH2 -0.01 -0.02 0.00 -0.04 7.19 7.13 3hh2D1 MET 50 H 0.33 0.52 -0.11 -0.55 8.47 8.66 3hh2D1 MET 50 HA 0.13 -0.03 0.32 -0.75 4.52 4.18 3hh2D1 MET 50 HB2 0.25 0.05 0.12 -0.04 2.15 2.53 3hh2D1 MET 50 HB3 0.20 -0.07 0.03 -0.04 2.03 2.15 3hh2D1 MET 50 HG2 0.38 -0.07 -0.00 -0.04 2.63 2.90 3hh2D1 MET 50 HG3 0.41 0.42 0.08 -0.04 2.56 3.42 3hh2D1 MET 50 HE3 0.53 -0.02 -0.36 -0.04 2.10 2.22 3hh2D1 ILE 51 H 0.18 0.53 -0.17 -0.55 8.25 8.24 3hh2D1 ILE 51 HA -0.09 0.13 0.61 -0.75 4.18 4.07 3hh2D1 ILE 51 HB 0.04 0.10 0.08 -0.04 1.89 2.07 3hh2D1 ILE 51 HG12 -0.07 -0.01 -0.02 -0.04 1.49 1.35 3hh2D1 ILE 51 HG13 0.07 -0.07 -0.03 -0.04 1.21 1.13 3hh2D1 ILE 51 HG23 -0.75 -0.01 -0.11 -0.04 0.93 0.01 3hh2D1 ILE 51 HD13 0.07 -0.02 -0.03 -0.04 0.88 0.86 3hh2D1 PHE 52 H 0.19 0.45 0.04 -0.55 8.34 8.47 3hh2D1 PHE 52 HA -0.04 0.17 0.79 -0.75 4.62 4.78 3hh2D1 PHE 52 HB2 -0.14 0.22 0.14 -0.04 3.15 3.33 3hh2D1 PHE 52 HB3 -0.11 -0.04 0.13 -0.04 3.06 2.99 3hh2D1 PHE 52 HD2 -0.03 0.05 0.04 -0.04 7.28 7.31 3hh2D1 PHE 52 HE2 0.00 -0.02 -0.05 -0.04 7.38 7.27 3hh2D1 PHE 52 HZ -0.00 -0.02 -0.04 -0.04 7.32 7.22 3hh2D1 ASN 53 H 0.06 0.23 -0.08 -0.55 8.53 8.19 3hh2D1 ASN 53 HA -0.03 0.20 1.00 -0.75 4.76 5.17 3hh2D1 ASN 53 HB2 -0.09 0.02 0.14 -0.04 2.88 2.91 3hh2D1 ASN 53 HB3 -0.04 -0.02 0.19 -0.04 2.79 2.89 3hh2D1 ASN 53 HD21 -0.52 -0.06 -0.18 -0.04 7.03 6.23 3hh2D1 ASN 53 HD22 -0.42 0.22 -0.30 -0.04 7.74 7.19 3hh2D1 GLY 54 H 0.03 0.08 -0.14 -0.55 8.43 7.86 3hh2D1 GLY 54 HA2 0.01 -0.02 0.24 -0.51 4.01 3.73 3hh2D1 GLY 54 HA3 0.03 0.06 0.39 -0.51 4.01 3.98 3hh2D1 GLY 55 H 0.09 0.40 -0.11 -0.55 8.43 8.27 3hh2D1 GLY 55 HA2 -0.05 -0.08 0.27 -0.51 4.01 3.64 3hh2D1 GLY 55 HA3 -0.12 0.20 0.73 -0.51 4.01 4.31 3hh2D1 ALA 56 H -0.62 0.44 0.16 -0.55 8.40 7.84 3hh2D1 ALA 56 HA -0.16 0.11 0.57 -0.75 4.34 4.10 3hh2D1 ALA 56 HB3 -0.54 -0.01 0.02 -0.04 1.41 0.84 3hh2D1 PRO 57 HA -0.18 0.12 0.37 -0.51 4.44 4.23 3hh2D1 PRO 57 HB2 -0.30 -0.01 0.04 -0.04 2.28 1.97 3hh2D1 PRO 57 HB3 -0.27 0.10 0.07 -0.04 2.02 1.89 3hh2D1 PRO 57 HG2 -0.65 -0.01 -0.03 -0.04 2.03 1.30 3hh2D1 PRO 57 HG3 -1.57 0.03 0.05 -0.04 2.03 0.50 3hh2D1 PRO 57 HD2 -0.62 0.02 0.17 -0.04 3.68 3.20 3hh2D1 PRO 57 HD3 -0.61 0.25 0.24 -0.04 3.65 3.49 3hh2D1 ASN 58 H -0.13 0.15 0.14 -0.55 8.53 8.13 3hh2D1 ASN 58 HA -0.08 0.07 0.33 -0.75 4.76 4.33 3hh2D1 ASN 58 HB2 -0.16 0.06 0.12 -0.04 2.88 2.85 3hh2D1 ASN 58 HB3 -0.08 -0.00 0.20 -0.04 2.79 2.87 3hh2D1 ASN 58 HD21 -0.14 -0.00 -0.04 -0.04 7.03 6.81 3hh2D1 ASN 58 HD22 -0.18 -0.01 -0.09 -0.04 7.74 7.42 3hh2D1 CYS 59 H -0.13 0.07 -0.13 -0.55 8.50 7.77 3hh2D1 CYS 59 HA -0.12 0.05 0.39 -0.75 4.58 4.15 3hh2D1 CYS 59 HB2 -0.22 -0.06 0.10 -0.04 2.97 2.75 3hh2D1 CYS 59 HB3 -0.09 0.25 0.13 -0.04 2.97 3.21 3hh2D1 ILE 60 H 0.10 0.58 0.32 -0.55 8.25 8.70 3hh2D1 ILE 60 HA 0.07 0.22 0.97 -0.75 4.18 4.69 3hh2D1 ILE 60 HB 0.36 -0.04 0.19 -0.04 1.89 2.36 3hh2D1 ILE 60 HG12 0.10 -0.02 -0.08 -0.04 1.49 1.45 3hh2D1 ILE 60 HG13 0.08 0.18 -0.31 -0.04 1.21 1.12 3hh2D1 ILE 60 HG23 0.14 0.01 -0.13 -0.04 0.93 0.91 3hh2D1 ILE 60 HD13 0.28 -0.06 -0.01 -0.04 0.88 1.05 3hh2D1 PRO 61 HA 0.08 0.08 0.47 -0.51 4.44 4.56 3hh2D1 PRO 61 HB2 0.03 0.00 -0.14 -0.04 2.28 2.13 3hh2D1 PRO 61 HB3 0.04 0.12 0.03 -0.04 2.02 2.16 3hh2D1 PRO 61 HG2 0.02 0.03 0.04 -0.04 2.03 2.08 3hh2D1 PRO 61 HG3 0.02 0.03 -0.01 -0.04 2.03 2.03 3hh2D1 PRO 61 HD2 0.04 0.05 0.16 -0.04 3.68 3.90 3hh2D1 PRO 61 HD3 0.03 0.31 0.05 -0.04 3.65 3.99 3hh2D1 CYS 62 H 0.08 0.63 0.30 -0.55 8.50 8.96 3hh2D1 CYS 62 HA 0.03 -0.02 0.45 -0.75 4.58 4.29 3hh2D1 CYS 62 HB2 0.03 0.15 0.07 -0.04 2.97 3.18 3hh2D1 CYS 62 HB3 0.00 0.02 -0.02 -0.04 2.97 2.94 3hh2D1 LYS 63 H 0.02 0.23 -0.08 -0.55 8.42 8.04 3hh2D1 LYS 63 HA 0.00 0.09 0.82 -0.75 4.32 4.48 3hh2D1 LYS 63 HB2 0.01 0.21 0.21 -0.04 1.87 2.26 3hh2D1 LYS 63 HB3 0.00 0.01 -0.02 -0.04 1.79 1.75 3hh2D1 LYS 63 HG2 0.00 -0.04 -0.18 -0.04 1.46 1.20 3hh2D1 LYS 63 HG3 0.00 -0.06 -0.19 -0.04 1.46 1.17 3hh2D1 LYS 63 HD2 -0.00 -0.01 -0.23 -0.04 1.69 1.40 3hh2D1 LYS 63 HD3 -0.01 0.02 -0.16 -0.04 1.68 1.50 3hh2D1 LYS 63 HE2 -0.01 -0.08 -0.23 -0.04 2.99 2.63 3hh2D1 LYS 63 HE3 -0.01 -0.04 -0.13 -0.04 2.99 2.77 3hh2D1 GLU 64 H 0.01 0.12 0.10 -0.55 8.60 8.27 3hh2D1 GLU 64 HA 0.01 0.28 1.00 -0.75 4.29 4.82 3hh2D1 GLU 64 HB2 0.01 -0.03 0.04 -0.04 2.09 2.06 3hh2D1 GLU 64 HB3 0.01 -0.05 0.09 -0.04 1.99 2.00 3hh2D1 GLU 64 HG2 0.02 0.07 -0.39 -0.04 2.34 2.00 3hh2D1 GLU 64 HG3 0.02 -0.02 -0.05 -0.04 2.34 2.24 3hh2D1 THR 65 H 0.00 0.16 0.08 -0.55 8.28 7.97 3hh2D1 THR 65 HA 0.00 0.21 0.57 -0.75 4.39 4.42 3hh2D1 THR 65 HB 0.00 -0.07 0.15 -0.04 4.32 4.36 3hh2D1 THR 65 HG23 0.00 0.03 -0.18 -0.04 1.22 1.03 3hh2D1 CYS 66 H -0.00 0.13 0.07 -0.55 8.50 8.15 3hh2D1 CYS 66 HA -0.00 0.19 0.23 -0.75 4.58 4.24 3hh2D1 CYS 66 HB2 -0.00 -0.01 0.04 -0.04 2.97 2.96 3hh2D1 CYS 66 HB3 -0.00 0.02 0.01 -0.04 2.97 2.95 3hh2D1 GLU 67 H -0.00 -0.00 -0.29 -0.55 8.60 7.76 3hh2D1 GLU 67 HA -0.00 0.00 0.43 -0.75 4.29 3.96 3hh2D1 GLU 67 HB2 -0.01 0.02 0.05 -0.04 2.09 2.11 3hh2D1 GLU 67 HB3 -0.01 0.05 -0.01 -0.04 1.99 1.98 3hh2D1 GLU 67 HG2 -0.00 0.03 0.01 -0.04 2.34 2.33 3hh2D1 GLU 67 HG3 -0.00 0.01 0.01 -0.04 2.34 2.31 3hh2D1 ASN 68 H -0.01 0.10 0.20 -0.55 8.53 8.27 3hh2D1 ASN 68 HA -0.01 -0.04 0.30 -0.75 4.76 4.25 3hh2D1 ASN 68 HB2 -0.01 0.47 0.11 -0.04 2.88 3.41 3hh2D1 ASN 68 HB3 -0.01 0.06 0.12 -0.04 2.79 2.92 3hh2D1 ASN 68 HD21 -0.01 -0.07 -0.07 -0.04 7.03 6.83 3hh2D1 ASN 68 HD22 -0.01 0.09 -0.10 -0.04 7.74 7.68 3hh2D1 VAL 69 H -0.00 0.29 -0.26 -0.55 8.24 7.72 3hh2D1 VAL 69 HA -0.01 0.23 0.52 -0.75 4.13 4.12 3hh2D1 VAL 69 HB -0.00 -0.03 0.05 -0.04 2.12 2.10 3hh2D1 VAL 69 HG13 -0.00 -0.04 -0.26 -0.04 0.97 0.64 3hh2D1 VAL 69 HG23 -0.00 0.03 -0.21 -0.04 0.95 0.73 3hh2D1 ASP 70 H -0.01 0.82 0.29 -0.55 8.40 8.95 3hh2D1 ASP 70 HA -0.00 0.11 0.96 -0.75 4.63 4.93 3hh2D1 ASP 70 HB2 -0.01 0.04 0.06 -0.04 2.71 2.76 3hh2D1 ASP 70 HB3 -0.01 -0.03 0.16 -0.04 2.70 2.79 3hh2D1 CYS 71 H -0.00 0.21 -0.01 -0.55 8.50 8.15 3hh2D1 CYS 71 HA -0.00 0.10 0.43 -0.75 4.58 4.35 3hh2D1 CYS 71 HB2 -0.00 0.09 -0.20 -0.04 2.97 2.82 3hh2D1 CYS 71 HB3 -0.00 0.01 -0.16 -0.04 2.97 2.78 3hh2D1 GLY 72 H -0.00 -0.06 -0.23 -0.55 8.43 7.59 3hh2D1 GLY 72 HA2 -0.00 -0.03 0.25 -0.51 4.01 3.72 3hh2D1 GLY 72 HA3 -0.00 0.20 0.52 -0.51 4.01 4.22 3hh2D1 PRO 73 HA -0.00 -0.01 0.47 -0.51 4.44 4.38 3hh2D1 PRO 73 HB2 -0.00 0.05 -0.01 -0.04 2.28 2.28 3hh2D1 PRO 73 HB3 -0.00 -0.00 0.12 -0.04 2.02 2.09 3hh2D1 PRO 73 HG2 -0.00 0.08 0.12 -0.04 2.03 2.19 3hh2D1 PRO 73 HG3 -0.00 0.03 0.09 -0.04 2.03 2.10 3hh2D1 PRO 73 HD2 -0.00 0.14 0.22 -0.04 3.68 4.00 3hh2D1 PRO 73 HD3 -0.00 0.08 0.15 -0.04 3.65 3.85 3hh2D1 GLY 74 H -0.00 0.12 0.17 -0.55 8.43 8.16 3hh2D1 GLY 74 HA2 -0.00 -0.06 0.30 -0.51 4.01 3.73 3hh2D1 GLY 74 HA3 -0.00 0.14 0.45 -0.51 4.01 4.09 3hh2D1 LYS 75 H -0.00 0.36 -0.44 -0.55 8.42 7.79 3hh2D1 LYS 75 HA -0.00 0.11 0.98 -0.75 4.32 4.66 3hh2D1 LYS 75 HB2 -0.00 0.12 -0.27 -0.04 1.87 1.68 3hh2D1 LYS 75 HB3 0.00 -0.05 -0.17 -0.04 1.79 1.53 3hh2D1 LYS 75 HG2 -0.00 -0.08 -0.37 -0.04 1.46 0.97 3hh2D1 LYS 75 HG3 -0.00 -0.00 -0.38 -0.04 1.46 1.03 3hh2D1 LYS 75 HD2 0.00 0.15 -0.10 -0.04 1.69 1.70 3hh2D1 LYS 75 HD3 0.00 -0.03 -0.23 -0.04 1.68 1.38 3hh2D1 LYS 75 HE2 0.00 -0.05 -0.16 -0.04 2.99 2.75 3hh2D1 LYS 75 HE3 -0.00 0.01 -0.07 -0.04 2.99 2.89 3hh2D1 LYS 76 H 0.00 0.67 0.29 -0.55 8.42 8.82 3hh2D1 LYS 76 HA -0.00 0.07 0.73 -0.75 4.32 4.37 3hh2D1 LYS 76 HB2 -0.00 -0.02 0.09 -0.04 1.87 1.89 3hh2D1 LYS 76 HB3 -0.00 0.03 -0.16 -0.04 1.79 1.62 3hh2D1 LYS 76 HG2 0.00 0.06 -0.07 -0.04 1.46 1.41 3hh2D1 LYS 76 HG3 0.00 0.03 -0.27 -0.04 1.46 1.18 3hh2D1 LYS 76 HD2 -0.00 -0.00 -0.06 -0.04 1.69 1.59 3hh2D1 LYS 76 HD3 -0.00 -0.01 -0.07 -0.04 1.68 1.56 3hh2D1 LYS 76 HE2 0.00 0.03 -0.10 -0.04 2.99 2.88 3hh2D1 LYS 76 HE3 0.00 0.01 -0.11 -0.04 2.99 2.85 3hh2D1 CYS 77 H -0.00 0.10 0.16 -0.55 8.50 8.22 3hh2D1 CYS 77 HA 0.00 0.25 0.56 -0.75 4.58 4.64 3hh2D1 CYS 77 HB2 -0.00 -0.00 0.03 -0.04 2.97 2.95 3hh2D1 CYS 77 HB3 -0.00 -0.03 0.10 -0.04 2.97 3.00 3hh2D1 ARG 78 H 0.00 0.48 0.37 -0.55 8.46 8.76 3hh2D1 ARG 78 HA 0.00 0.02 0.76 -0.75 4.34 4.36 3hh2D1 ARG 78 HB2 0.00 0.06 -0.28 -0.04 1.90 1.64 3hh2D1 ARG 78 HB3 0.00 0.04 -0.01 -0.04 1.80 1.79 3hh2D1 ARG 78 HG2 0.00 0.16 -0.22 -0.04 1.67 1.57 3hh2D1 ARG 78 HG3 0.00 -0.06 0.05 -0.04 1.67 1.62 3hh2D1 ARG 78 HD2 0.00 -0.01 -0.08 -0.04 3.22 3.09 3hh2D1 ARG 78 HD3 0.00 -0.00 -0.11 -0.04 3.22 3.07 3hh2D1 MET 79 H 0.00 0.09 0.14 -0.55 8.47 8.16 3hh2D1 MET 79 HA 0.00 0.16 0.53 -0.75 4.52 4.46 3hh2D1 MET 79 HB2 0.00 -0.05 0.12 -0.04 2.15 2.18 3hh2D1 MET 79 HB3 0.00 0.14 -0.10 -0.04 2.03 2.02 3hh2D1 MET 79 HG2 0.00 -0.12 0.02 -0.04 2.63 2.49 3hh2D1 MET 79 HG3 0.00 -0.01 0.00 -0.04 2.56 2.52 3hh2D1 MET 79 HE3 0.00 0.10 -0.17 -0.04 2.10 2.00 3hh2D1 ASN 80 H 0.00 1.20 0.38 -0.55 8.53 9.57 3hh2D1 ASN 80 HA 0.00 0.07 0.54 -0.75 4.76 4.61 3hh2D1 LYS 84 HA 0.01 0.07 0.26 -0.75 4.32 3.90 3hh2D1 LYS 84 HB2 0.01 -0.06 -0.02 -0.04 1.87 1.75 3hh2D1 LYS 84 HB3 0.01 0.14 0.13 -0.04 1.79 2.02 3hh2D1 LYS 84 HG2 0.01 -0.06 0.03 -0.04 1.46 1.39 3hh2D1 LYS 84 HG3 0.01 -0.00 0.02 -0.04 1.46 1.44 3hh2D1 LYS 84 HD2 0.01 0.07 0.08 -0.04 1.69 1.81 3hh2D1 LYS 84 HD3 0.01 -0.01 0.11 -0.04 1.68 1.74 3hh2D1 LYS 84 HE2 0.00 -0.05 0.03 -0.04 2.99 2.94 3hh2D1 LYS 84 HE3 0.00 0.01 0.02 -0.04 2.99 2.98 3hh2D1 PRO 85 HA 0.00 -0.00 0.44 -0.51 4.44 4.37 3hh2D1 PRO 85 HB2 0.00 -0.01 -0.28 -0.04 2.28 1.95 3hh2D1 PRO 85 HB3 0.00 -0.18 -0.43 -0.04 2.02 1.37 3hh2D1 PRO 85 HG2 0.01 0.07 -0.05 -0.04 2.03 2.02 3hh2D1 PRO 85 HG3 0.01 0.06 -0.42 -0.04 2.03 1.63 3hh2D1 PRO 85 HD2 0.01 0.14 0.17 -0.04 3.68 3.96 3hh2D1 PRO 85 HD3 0.01 0.23 -0.12 -0.04 3.65 3.73 3hh2D1 ARG 86 H 0.00 0.46 0.27 -0.55 8.46 8.64 3hh2D1 ARG 86 HA 0.00 0.13 0.75 -0.75 4.34 4.47 3hh2D1 ARG 86 HB2 0.00 0.09 -0.02 -0.04 1.90 1.93 3hh2D1 ARG 86 HB3 0.00 -0.00 -0.13 -0.04 1.80 1.63 3hh2D1 ARG 86 HG2 0.01 0.08 -0.33 -0.04 1.67 1.39 3hh2D1 ARG 86 HG3 0.01 -0.05 -0.07 -0.04 1.67 1.51 3hh2D1 ARG 86 HD2 0.01 -0.03 0.05 -0.04 3.22 3.21 3hh2D1 ARG 86 HD3 0.01 0.06 0.20 -0.04 3.22 3.45 3hh2D1 CYS 87 H 0.00 0.18 0.08 -0.55 8.50 8.21 3hh2D1 CYS 87 HA 0.00 0.14 0.64 -0.75 4.58 4.61 3hh2D1 CYS 87 HB2 0.00 0.01 0.15 -0.04 2.97 3.09 3hh2D1 CYS 87 HB3 0.00 0.07 -0.06 -0.04 2.97 2.94 3hh2D1 VAL 88 H 0.00 0.72 0.32 -0.55 8.24 8.73 3hh2D1 VAL 88 HA 0.00 0.18 0.92 -0.75 4.13 4.47 3hh2D1 VAL 88 HB 0.00 -0.01 0.02 -0.04 2.12 2.09 3hh2D1 VAL 88 HG13 0.00 0.03 -0.18 -0.04 0.97 0.78 3hh2D1 VAL 88 HG23 0.00 0.05 -0.15 -0.04 0.95 0.81 3hh2D1 CYS 89 H 0.00 0.12 0.13 -0.55 8.50 8.20 3hh2D1 CYS 89 HA 0.00 0.11 0.49 -0.75 4.58 4.43 3hh2D1 CYS 89 HB2 0.00 -0.06 0.18 -0.04 2.97 3.06 3hh2D1 CYS 89 HB3 -0.00 -0.01 0.05 -0.04 2.97 2.96 3hh2D1 ALA 90 H -0.00 0.62 0.30 -0.55 8.40 8.78 3hh2D1 ALA 90 HA 0.00 0.11 0.71 -0.75 4.34 4.40 3hh2D1 ALA 90 HB3 -0.00 -0.02 -0.04 -0.04 1.41 1.31 3hh2D1 PRO 91 HA -0.00 0.05 0.52 -0.51 4.44 4.49 3hh2D1 PRO 91 HB2 -0.01 0.01 -0.13 -0.04 2.28 2.11 3hh2D1 PRO 91 HB3 -0.01 0.09 0.02 -0.04 2.02 2.08 3hh2D1 PRO 91 HG2 -0.00 -0.03 -0.06 -0.04 2.03 1.89 3hh2D1 PRO 91 HG3 -0.01 -0.02 -0.26 -0.04 2.03 1.70 3hh2D1 PRO 91 HD2 -0.00 0.14 -0.06 -0.04 3.68 3.72 3hh2D1 PRO 91 HD3 -0.00 0.10 -0.13 -0.04 3.65 3.58 3hh2D1 ASP 92 H -0.00 0.13 0.15 -0.55 8.40 8.14 3hh2D1 ASP 92 HA 0.00 0.07 0.60 -0.75 4.63 4.55 3hh2D1 ASP 92 HB2 0.00 0.07 0.15 -0.04 2.71 2.89 3hh2D1 ASP 92 HB3 0.00 0.01 0.19 -0.04 2.70 2.86 3hh2D1 CYS 93 H 0.00 0.26 0.21 -0.55 8.50 8.42 3hh2D1 CYS 93 HA 0.01 0.19 0.80 -0.75 4.58 4.82 3hh2D1 CYS 93 HB2 0.00 0.06 0.06 -0.04 2.97 3.05 3hh2D1 CYS 93 HB3 0.01 -0.03 0.10 -0.04 2.97 3.00 3hh2D1 SER 94 H 0.00 0.09 -0.02 -0.55 8.46 7.98 3hh2D1 SER 94 HA 0.00 0.11 0.29 -0.75 4.49 4.14 3hh2D1 ASN 95 H 0.01 0.05 -1.00 -0.55 8.53 7.05 3hh2D1 ASN 95 HA 0.01 0.25 0.87 -0.75 4.76 5.14 3hh2D1 ILE 96 H 0.02 0.42 -0.05 -0.55 8.25 8.09 3hh2D1 ILE 96 HA 0.05 0.07 0.73 -0.75 4.18 4.27 3hh2D1 ILE 96 HB 0.03 0.11 0.16 -0.04 1.89 2.16 3hh2D1 ILE 96 HG12 0.04 -0.00 -0.03 -0.04 1.49 1.46 3hh2D1 ILE 96 HG13 0.03 -0.08 -0.07 -0.04 1.21 1.05 3hh2D1 ILE 96 HG23 0.10 -0.01 -0.12 -0.04 0.93 0.86 3hh2D1 ILE 96 HD13 0.03 -0.02 -0.03 -0.04 0.88 0.82 3hh2D1 THR 97 H 0.08 0.07 0.18 -0.55 8.28 8.07 3hh2D1 THR 97 HA 0.05 0.18 0.57 -0.75 4.39 4.43 3hh2D1 THR 97 HB 0.08 0.00 0.02 -0.04 4.32 4.39 3hh2D1 THR 97 HG23 0.04 0.02 -0.01 -0.04 1.22 1.24 3hh2D1 TRP 98 H 0.27 -0.01 0.08 -0.55 7.97 7.76 3hh2D1 TRP 98 HA 0.01 0.06 0.51 -0.75 4.62 4.45 3hh2D1 TRP 98 HB2 0.01 0.03 0.11 -0.04 3.23 3.34 3hh2D1 TRP 98 HB3 0.01 -0.03 0.09 -0.04 3.23 3.25 3hh2D1 TRP 98 HD1 0.01 -0.07 -0.20 -0.04 7.22 6.92 3hh2D1 TRP 98 HE1 0.02 0.38 -0.43 -0.04 10.20 10.13 3hh2D1 TRP 98 HE3 0.01 0.04 0.06 -0.04 7.59 7.66 3hh2D1 TRP 98 HZ2 0.03 0.09 0.04 -0.04 7.44 7.55 3hh2D1 TRP 98 HZ3 0.01 0.05 0.03 -0.04 7.13 7.18 3hh2D1 TRP 98 HH2 0.03 0.05 0.02 -0.04 7.19 7.24 3hh2D1 LYS 99 H -1.21 0.01 0.23 -0.55 8.42 6.90 3hh2D1 LYS 99 HA -0.26 0.20 0.81 -0.75 4.32 4.32 3hh2D1 GLY 100 H -2.13 -0.10 0.13 -0.55 8.43 5.79 3hh2D1 GLY 100 HA2 -0.26 0.18 0.58 -0.51 4.01 4.00 3hh2D1 GLY 100 HA3 -0.42 0.01 0.41 -0.51 4.01 3.50 3hh2D1 PRO 101 HA 0.15 0.25 0.28 -0.51 4.44 4.61 3hh2D1 PRO 101 HB2 0.12 -0.00 -0.24 -0.04 2.28 2.11 3hh2D1 PRO 101 HB3 0.08 0.02 0.06 -0.04 2.02 2.14 3hh2D1 PRO 101 HG2 0.20 -0.09 0.08 -0.04 2.03 2.17 3hh2D1 PRO 101 HG3 0.08 0.04 0.08 -0.04 2.03 2.20 3hh2D1 PRO 101 HD2 0.06 0.00 0.28 -0.04 3.68 3.98 3hh2D1 PRO 101 HD3 0.01 0.18 0.24 -0.04 3.65 4.05 3hh2D1 VAL 102 H 0.18 0.48 0.18 -0.55 8.24 8.53 3hh2D1 VAL 102 HA 0.09 0.15 0.93 -0.75 4.13 4.54 3hh2D1 VAL 102 HB 0.00 0.04 -0.04 -0.04 2.12 2.09 3hh2D1 VAL 102 HG13 0.23 0.00 -0.22 -0.04 0.97 0.94 3hh2D1 VAL 102 HG23 0.11 -0.04 -0.29 -0.04 0.95 0.70 3hh2D1 CYS 103 H -0.20 0.71 0.26 -0.55 8.50 8.73 3hh2D1 CYS 103 HA -0.10 0.07 0.83 -0.75 4.58 4.62 3hh2D1 CYS 103 HB2 -0.53 0.11 -0.35 -0.04 2.97 2.16 3hh2D1 CYS 103 HB3 -1.11 -0.03 0.09 -0.04 2.97 1.89 3hh2D1 GLY 104 H 0.11 0.72 0.27 -0.55 8.43 8.98 3hh2D1 GLY 104 HA2 -0.02 0.18 0.61 -0.51 4.01 4.27 3hh2D1 GLY 104 HA3 0.13 -0.02 0.36 -0.51 4.01 3.97 3hh2D1 LEU 105 H 0.01 0.61 0.38 -0.55 8.37 8.82 3hh2D1 LEU 105 HA 0.08 0.11 0.48 -0.75 4.35 4.27 3hh2D1 LEU 105 HB2 0.03 -0.08 0.13 -0.04 1.64 1.68 3hh2D1 LEU 105 HB3 0.06 0.02 0.07 -0.04 1.64 1.75 3hh2D1 LEU 105 HG 0.01 0.12 -0.10 -0.04 1.64 1.63 3hh2D1 LEU 105 HD13 0.01 0.01 0.03 -0.04 0.93 0.93 3hh2D1 LEU 105 HD23 0.06 0.00 0.00 -0.04 0.89 0.91 3hh2D1 ASP 106 H 0.08 0.00 -0.33 -0.55 8.40 7.60 3hh2D1 ASP 106 HA 0.09 0.17 0.55 -0.75 4.63 4.68 3hh2D1 ASP 106 HB2 0.08 0.06 0.10 -0.04 2.71 2.90 3hh2D1 ASP 106 HB3 0.08 0.01 0.03 -0.04 2.70 2.78 3hh2D1 GLY 107 H 0.06 0.49 -0.57 -0.55 8.43 7.86 3hh2D1 GLY 107 HA2 -0.10 0.08 0.23 -0.51 4.01 3.71 3hh2D1 GLY 107 HA3 0.03 0.07 0.43 -0.51 4.01 4.03 3hh2D1 LYS 108 H 0.05 -0.04 -0.34 -0.55 8.42 7.53 3hh2D1 LYS 108 HA -0.09 0.21 0.90 -0.75 4.32 4.59 3hh2D1 THR 109 H -0.14 0.17 0.18 -0.55 8.28 7.94 3hh2D1 THR 109 HA -0.04 0.23 0.85 -0.75 4.39 4.68 3hh2D1 THR 109 HB -0.08 -0.00 0.14 -0.04 4.32 4.34 3hh2D1 THR 109 HG23 0.00 0.02 -0.17 -0.04 1.22 1.03 3hh2D1 TYR 110 H 0.18 0.80 0.37 -0.55 8.29 9.08 3hh2D1 TYR 110 HA 0.00 0.17 0.83 -0.75 4.56 4.81 3hh2D1 TYR 110 HB2 0.01 0.01 0.02 -0.04 3.06 3.06 3hh2D1 TYR 110 HB3 0.01 -0.10 -0.01 -0.04 2.98 2.85 3hh2D1 TYR 110 HD2 -0.01 0.02 -0.14 -0.04 7.15 6.98 3hh2D1 TYR 110 HE2 -0.01 -0.04 -0.06 -0.04 6.85 6.71 3hh2D1 ARG 111 H 0.09 0.15 0.11 -0.55 8.46 8.26 3hh2D1 ARG 111 HA 0.04 0.08 0.32 -0.75 4.34 4.03 3hh2D1 ARG 111 HB2 0.02 0.05 0.05 -0.04 1.90 1.98 3hh2D1 ARG 111 HB3 0.02 0.04 0.11 -0.04 1.80 1.93 3hh2D1 ARG 111 HG2 0.08 -0.10 0.12 -0.04 1.67 1.73 3hh2D1 ARG 111 HG3 0.04 -0.01 -0.07 -0.04 1.67 1.60 3hh2D1 ARG 111 HD2 0.03 -0.00 0.00 -0.04 3.22 3.21 3hh2D1 ARG 111 HD3 0.02 0.04 -0.00 -0.04 3.22 3.23 3hh2D1 ASN 112 H 0.11 0.04 -0.09 -0.55 8.53 8.05 3hh2D1 ASN 112 HA 0.11 0.49 0.23 -0.75 4.76 4.84 3hh2D1 ASN 112 HB2 0.02 -0.07 0.11 -0.04 2.88 2.90 3hh2D1 ASN 112 HB3 -0.01 0.33 -0.02 -0.04 2.79 3.05 3hh2D1 ASN 112 HD21 0.01 0.01 -0.08 -0.04 7.03 6.93 3hh2D1 ASN 112 HD22 -0.01 0.18 -0.13 -0.04 7.74 7.74 3hh2D1 GLU 113 H 0.13 0.37 0.04 -0.55 8.60 8.59 3hh2D1 GLU 113 HA 0.06 0.07 0.34 -0.75 4.29 4.01 3hh2D1 GLU 113 HB2 0.18 0.05 0.04 -0.04 2.09 2.32 3hh2D1 GLU 113 HB3 0.11 0.09 0.06 -0.04 1.99 2.21 3hh2D1 GLU 113 HG2 0.03 0.02 -0.18 -0.04 2.34 2.17 3hh2D1 GLU 113 HG3 0.02 -0.05 0.05 -0.04 2.34 2.31 3hh2D1 CYS 114 H 0.04 0.16 -0.20 -0.55 8.50 7.95 3hh2D1 CYS 114 HA 0.00 0.13 0.38 -0.75 4.58 4.34 3hh2D1 CYS 114 HB2 0.01 0.06 0.08 -0.04 2.97 3.08 3hh2D1 CYS 114 HB3 0.01 0.00 -0.01 -0.04 2.97 2.93 3hh2D1 ALA 115 H 0.04 0.10 -0.34 -0.55 8.40 7.66 3hh2D1 ALA 115 HA 0.03 0.13 0.43 -0.75 4.34 4.18 3hh2D1 ALA 115 HB3 0.11 0.02 0.06 -0.04 1.41 1.57 3hh2D1 LEU 116 H -0.04 0.30 -0.30 -0.55 8.37 7.79 3hh2D1 LEU 116 HA -0.72 0.05 0.46 -0.75 4.35 3.39 3hh2D1 LEU 116 HB2 -0.32 -0.01 0.00 -0.04 1.64 1.27 3hh2D1 LEU 116 HB3 -0.15 0.14 0.08 -0.04 1.64 1.68 3hh2D1 LEU 116 HG -0.60 -0.03 -0.08 -0.04 1.64 0.89 3hh2D1 LEU 116 HD13 -0.20 -0.01 -0.29 -0.04 0.93 0.40 3hh2D1 LEU 116 HD23 -0.14 0.01 -0.42 -0.04 0.89 0.30 3hh2D1 LEU 117 H -0.07 0.47 -0.22 -0.55 8.37 8.01 3hh2D1 LEU 117 HA -0.06 0.07 0.40 -0.75 4.35 4.01 3hh2D1 LEU 117 HB2 -0.02 0.16 0.15 -0.04 1.64 1.89 3hh2D1 LEU 117 HB3 -0.02 -0.03 -0.02 -0.04 1.64 1.52 3hh2D1 LEU 117 HG -0.02 0.23 0.02 -0.04 1.64 1.83 3hh2D1 LEU 117 HD13 -0.00 -0.03 -0.11 -0.04 0.93 0.74 3hh2D1 LEU 117 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.79 3hh2D1 LYS 118 H -0.03 0.39 -0.22 -0.55 8.42 8.00 3hh2D1 LYS 118 HA -0.01 0.07 0.44 -0.75 4.32 4.06 3hh2D1 LYS 118 HB2 0.01 0.04 0.13 -0.04 1.87 2.00 3hh2D1 LYS 118 HB3 0.01 -0.01 0.03 -0.04 1.79 1.77 3hh2D1 LYS 118 HG2 -0.00 0.04 -0.03 -0.04 1.46 1.43 3hh2D1 LYS 118 HG3 -0.00 0.13 0.05 -0.04 1.46 1.60 3hh2D1 LYS 118 HD2 0.01 -0.09 -0.06 -0.04 1.69 1.51 3hh2D1 LYS 118 HD3 0.01 0.01 -0.00 -0.04 1.68 1.66 3hh2D1 LYS 118 HE2 0.00 0.13 -0.00 -0.04 2.99 3.08 3hh2D1 LYS 118 HE3 0.00 -0.03 -0.05 -0.04 2.99 2.87 3hh2D1 ALA 119 H -0.05 0.44 -0.22 -0.55 8.40 8.02 3hh2D1 ALA 119 HA 0.02 0.03 0.50 -0.75 4.34 4.13 3hh2D1 ALA 119 HB3 0.00 0.02 0.10 -0.04 1.41 1.49 3hh2D1 ARG 120 H -0.08 0.45 -0.31 -0.55 8.46 7.97 3hh2D1 ARG 120 HA -0.04 0.15 0.44 -0.75 4.34 4.14 3hh2D1 ARG 120 HB2 -0.08 -0.01 0.10 -0.04 1.90 1.87 3hh2D1 ARG 120 HB3 -0.06 0.08 0.20 -0.04 1.80 1.99 3hh2D1 ARG 120 HG2 -0.02 -0.04 -0.27 -0.04 1.67 1.30 3hh2D1 ARG 120 HG3 -0.03 0.00 0.01 -0.04 1.67 1.61 3hh2D1 ARG 120 HD2 -0.04 0.47 0.11 -0.04 3.22 3.72 3hh2D1 ARG 120 HD3 -0.03 -0.14 0.02 -0.04 3.22 3.03 3hh2D1 CYS 121 H -0.02 0.46 -0.12 -0.55 8.50 8.27 3hh2D1 CYS 121 HA -0.01 0.05 0.37 -0.75 4.58 4.23 3hh2D1 CYS 121 HB2 -0.01 -0.04 0.08 -0.04 2.97 2.96 3hh2D1 CYS 121 HB3 -0.01 0.03 0.16 -0.04 2.97 3.12 3hh2D1 LYS 122 H -0.00 0.39 -0.27 -0.55 8.42 7.98 3hh2D1 LYS 122 HA 0.01 0.07 0.43 -0.75 4.32 4.07 3hh2D1 LYS 122 HB2 0.01 0.10 0.14 -0.04 1.87 2.08 3hh2D1 LYS 122 HB3 0.02 -0.07 0.14 -0.04 1.79 1.84 3hh2D1 LYS 122 HG2 0.01 0.01 -0.06 -0.04 1.46 1.38 3hh2D1 LYS 122 HG3 0.01 -0.02 0.05 -0.04 1.46 1.46 3hh2D1 LYS 122 HD2 0.02 -0.02 -0.01 -0.04 1.69 1.64 3hh2D1 LYS 122 HD3 0.02 -0.03 -0.03 -0.04 1.68 1.60 3hh2D1 LYS 122 HE2 0.01 -0.01 0.02 -0.04 2.99 2.97 3hh2D1 LYS 122 HE3 0.01 -0.04 -0.00 -0.04 2.99 2.92 3hh2D1 GLU 123 H 0.01 0.53 0.07 -0.55 8.60 8.67 3hh2D1 GLU 123 HA 0.01 0.21 0.87 -0.75 4.29 4.63 3hh2D1 GLN 124 H 0.00 0.42 0.13 -0.55 8.47 8.48 3hh2D1 GLN 124 HA 0.01 0.21 1.02 -0.75 4.36 4.84 3hh2D1 GLN 124 HB2 0.03 0.01 -0.22 -0.04 2.15 1.93 3hh2D1 GLN 124 HB3 0.01 -0.04 0.08 -0.04 2.02 2.03 3hh2D1 GLN 124 HG2 0.01 -0.16 -0.11 -0.04 2.40 2.10 3hh2D1 GLN 124 HG3 0.02 0.08 -0.01 -0.04 2.39 2.44 3hh2D1 GLN 124 HE21 0.09 -0.03 -0.04 -0.04 6.97 6.95 3hh2D1 GLN 124 HE22 0.07 0.05 -0.08 -0.04 7.69 7.69 3hh2D1 PRO 125 HA -0.01 0.20 0.30 -0.51 4.44 4.42 3hh2D1 PRO 125 HB2 -0.00 -0.04 -0.00 -0.04 2.28 2.19 3hh2D1 PRO 125 HB3 -0.00 0.03 0.07 -0.04 2.02 2.08 3hh2D1 PRO 125 HG2 0.00 -0.00 0.04 -0.04 2.03 2.03 3hh2D1 PRO 125 HG3 0.00 0.14 -0.01 -0.04 2.03 2.13 3hh2D1 PRO 125 HD2 0.01 0.02 0.18 -0.04 3.68 3.84 3hh2D1 PRO 125 HD3 0.01 0.29 -0.10 -0.04 3.65 3.81 3hh2D1 GLU 126 H 0.00 0.07 -0.31 -0.55 8.60 7.81 3hh2D1 GLU 126 HA -0.00 0.18 0.66 -0.75 4.29 4.37 3hh2D1 GLU 126 HB2 0.01 -0.02 -0.03 -0.04 2.09 2.01 3hh2D1 GLU 126 HB3 0.00 -0.02 0.10 -0.04 1.99 2.04 3hh2D1 GLU 126 HG2 0.00 -0.02 -0.03 -0.04 2.34 2.25 3hh2D1 GLU 126 HG3 0.00 -0.01 -0.01 -0.04 2.34 2.28 3hh2D1 LEU 127 H -0.02 0.59 -0.29 -0.55 8.37 8.11 3hh2D1 LEU 127 HA -0.01 -0.08 0.40 -0.75 4.35 3.91 3hh2D1 LEU 127 HB2 -0.02 -0.05 0.07 -0.04 1.64 1.60 3hh2D1 LEU 127 HB3 -0.06 0.14 0.14 -0.04 1.64 1.81 3hh2D1 LEU 127 HG -0.17 -0.00 -0.29 -0.04 1.64 1.13 3hh2D1 LEU 127 HD13 -0.01 -0.05 0.07 -0.04 0.93 0.91 3hh2D1 LEU 127 HD23 -0.32 0.01 -0.07 -0.04 0.89 0.47 3hh2D1 GLU 128 H -0.02 0.07 0.30 -0.55 8.60 8.40 3hh2D1 GLU 128 HA -0.06 0.12 0.48 -0.75 4.29 4.08 3hh2D1 VAL 129 H -0.04 0.15 0.10 -0.55 8.24 7.90 3hh2D1 VAL 129 HA -0.06 0.10 0.54 -0.75 4.13 3.96 3hh2D1 VAL 129 HB -0.03 0.01 0.08 -0.04 2.12 2.14 3hh2D1 VAL 129 HG13 -0.08 0.01 -0.28 -0.04 0.97 0.58 3hh2D1 VAL 129 HG23 -0.02 -0.01 -0.03 -0.04 0.95 0.84 3hh2D1 GLN 130 H -0.09 0.66 0.35 -0.55 8.47 8.85 3hh2D1 GLN 130 HA 0.04 0.20 1.01 -0.75 4.36 4.86 3hh2D1 GLN 130 HB2 0.16 -0.01 0.11 -0.04 2.15 2.37 3hh2D1 GLN 130 HB3 0.06 -0.04 0.01 -0.04 2.02 2.02 3hh2D1 GLN 130 HG2 -0.10 0.04 -0.41 -0.04 2.40 1.89 3hh2D1 GLN 130 HG3 -0.27 0.02 -0.10 -0.04 2.39 1.99 3hh2D1 GLN 130 HE21 -0.11 0.01 0.04 -0.04 6.97 6.87 3hh2D1 GLN 130 HE22 -0.12 0.17 -0.05 -0.04 7.69 7.65 3hh2D1 TYR 131 H -0.24 0.34 0.23 -0.55 8.29 8.08 3hh2D1 TYR 131 HA -0.10 0.05 0.17 -0.75 4.56 3.93 3hh2D1 TYR 131 HB2 -0.07 0.04 0.08 -0.04 3.06 3.06 3hh2D1 TYR 131 HB3 -0.04 0.16 0.18 -0.04 2.98 3.23 3hh2D1 TYR 131 HD2 -0.04 0.12 -0.34 -0.04 7.15 6.85 3hh2D1 TYR 131 HE2 -0.07 0.12 -0.13 -0.04 6.85 6.72 3hh2D1 GLN 132 H -0.09 0.15 0.13 -0.55 8.47 8.11 3hh2D1 GLN 132 HA -0.29 0.02 0.54 -0.75 4.36 3.88 3hh2D1 GLN 132 HB2 -0.63 0.03 0.11 -0.04 2.15 1.62 3hh2D1 GLN 132 HB3 -1.57 0.01 0.07 -0.04 2.02 0.49 3hh2D1 GLN 132 HG2 -1.08 -0.00 -0.00 -0.04 2.40 1.27 3hh2D1 GLN 132 HG3 -0.48 -0.02 -0.01 -0.04 2.39 1.83 3hh2D1 GLN 132 HE21 -0.11 -0.02 0.03 -0.04 6.97 6.82 3hh2D1 GLN 132 HE22 -0.31 -0.01 0.00 -0.04 7.69 7.33 3hh2D1 GLY 133 H 0.18 0.47 0.32 -0.55 8.43 8.85 3hh2D1 GLY 133 HA2 0.30 -0.01 0.30 -0.51 4.01 4.09 3hh2D1 GLY 133 HA3 0.16 0.10 0.58 -0.51 4.01 4.35 3hh2D1 ARG 134 H 0.11 0.07 0.06 -0.55 8.46 8.15 3hh2D1 ARG 134 HA 0.02 -0.01 0.27 -0.75 4.34 3.86 3hh2D1 ARG 134 HB2 0.06 -0.07 0.08 -0.04 1.90 1.93 3hh2D1 ARG 134 HB3 0.05 0.10 -0.04 -0.04 1.80 1.87 3hh2D1 ARG 134 HG2 0.00 0.08 0.07 -0.04 1.67 1.79 3hh2D1 ARG 134 HG3 0.01 -0.08 0.03 -0.04 1.67 1.59 3hh2D1 ARG 134 HD2 0.01 0.07 0.01 -0.04 3.22 3.28 3hh2D1 ARG 134 HD3 0.00 -0.04 0.01 -0.04 3.22 3.15 3hh2D1 CYS 135 H -0.05 -0.02 0.05 -0.55 8.50 7.94 3hh2D1 CYS 135 HA -0.05 0.12 0.47 -0.75 4.58 4.36 3hh2D1 CYS 135 HB2 -0.06 -0.06 0.01 -0.04 2.97 2.82 3hh2D1 CYS 135 HB3 -0.08 0.08 0.03 -0.04 2.97 2.95 3hh2D1 LYS 136 H 0.14 0.19 0.18 -0.55 8.42 8.38 3hh2D1 LYS 136 HA 0.03 0.15 0.89 -0.75 4.32 4.63 3hh2D1 LYS 136 HB2 0.02 -0.04 -0.03 -0.04 1.87 1.78 3hh2D1 LYS 136 HB3 -0.00 0.16 -0.04 -0.04 1.79 1.87 3hh2D1 LYS 136 HG2 0.16 0.15 -0.36 -0.04 1.46 1.37 3hh2D1 LYS 136 HG3 0.04 0.03 -0.14 -0.04 1.46 1.35 3hh2D1 LYS 136 HD2 0.02 0.03 -0.04 -0.04 1.69 1.66 3hh2D1 LYS 136 HD3 0.04 -0.00 -0.09 -0.04 1.68 1.59 3hh2D1 LYS 136 HE2 0.09 0.02 -0.11 -0.04 2.99 2.95 3hh2D1 LYS 136 HE3 0.07 0.04 -0.05 -0.04 2.99 3.00 3hh2D1 LYS 137 H -0.00 0.15 0.20 -0.55 8.42 8.21 3hh2D1 LYS 137 HA -0.01 0.24 1.00 -0.75 4.32 4.79 3hh2D1 LYS 137 HB2 -0.00 -0.04 0.15 -0.04 1.87 1.94 3hh2D1 LYS 137 HB3 -0.00 0.02 0.06 -0.04 1.79 1.82 3hh2D1 LYS 137 HG2 -0.00 -0.06 -0.12 -0.04 1.46 1.24 3hh2D1 LYS 137 HG3 -0.00 -0.03 0.01 -0.04 1.46 1.40 3hh2D1 LYS 137 HD2 0.00 0.04 -0.02 -0.04 1.69 1.67 3hh2D1 LYS 137 HD3 -0.00 0.01 -0.16 -0.04 1.68 1.49 3hh2D1 LYS 137 HE2 -0.00 -0.03 -0.06 -0.04 2.99 2.85 3hh2D1 LYS 137 HE3 0.00 -0.03 -0.02 -0.04 2.99 2.90 3hh2D1 THR 138 H -0.01 0.62 0.22 -0.55 8.28 8.55 3hh2D1 THR 138 HA -0.02 0.00 0.34 -0.75 4.39 3.96 3hh2D1 THR 138 HB -0.03 -0.09 0.16 -0.04 4.32 4.32 3hh2D1 THR 138 HG23 -0.01 -0.01 -0.22 -0.04 1.22 0.93 3hh2D1 CYS 139 H -0.05 0.14 0.05 -0.55 8.50 8.09 3hh2D1 CYS 139 HA -0.13 0.19 0.53 -0.75 4.58 4.42 3hh2D1 CYS 139 HB2 -0.07 0.02 0.03 -0.04 2.97 2.91 3hh2D1 CYS 139 HB3 -0.12 0.02 0.10 -0.04 2.97 2.93 3hh2D1 ARG 140 H -0.07 0.05 -0.30 -0.55 8.46 7.58 3hh2D1 ARG 140 HA -0.12 0.01 0.46 -0.75 4.34 3.94 3hh2D1 ARG 140 HB2 -0.05 -0.03 0.08 -0.04 1.90 1.86 3hh2D1 ARG 140 HB3 -0.05 0.07 0.06 -0.04 1.80 1.84 3hh2D1 ARG 140 HG2 -0.04 0.03 -0.18 -0.04 1.67 1.44 3hh2D1 ARG 140 HG3 -0.05 -0.02 0.03 -0.04 1.67 1.58 3hh2D1 ARG 140 HD2 -0.02 -0.01 -0.00 -0.04 3.22 3.15 3hh2D1 ARG 140 HD3 -0.02 0.02 -0.03 -0.04 3.22 3.15 3hh2D1 ASP 141 H -0.24 0.12 0.19 -0.55 8.40 7.92 3hh2D1 ASP 141 HA -0.49 -0.01 0.27 -0.75 4.63 3.65 3hh2D1 ASP 141 HB2 -0.03 0.23 -0.17 -0.04 2.71 2.70 3hh2D1 ASP 141 HB3 0.06 -0.03 0.18 -0.04 2.70 2.87 3hh2D1 VAL 142 H -0.35 0.41 -0.45 -0.55 8.24 7.30 3hh2D1 VAL 142 HA -0.24 0.15 0.77 -0.75 4.13 4.05 3hh2D1 VAL 142 HB -0.30 0.02 0.05 -0.04 2.12 1.85 3hh2D1 VAL 142 HG13 -0.66 -0.02 -0.29 -0.04 0.97 -0.04 3hh2D1 VAL 142 HG23 -0.21 0.03 -0.25 -0.04 0.95 0.47 3hh2D1 PHE 143 H 0.01 0.23 -0.06 -0.55 8.34 7.96 3hh2D1 PHE 143 HA -0.08 0.16 0.85 -0.75 4.62 4.79 3hh2D1 PHE 143 HB2 -0.07 -0.03 0.12 -0.04 3.15 3.13 3hh2D1 PHE 143 HB3 -0.06 0.04 -0.01 -0.04 3.06 3.00 3hh2D1 PHE 143 HD2 -0.04 0.07 -0.06 -0.04 7.28 7.20 3hh2D1 PHE 143 HE2 -0.02 0.01 -0.03 -0.04 7.38 7.30 3hh2D1 PHE 143 HZ -0.02 -0.03 -0.03 -0.04 7.32 7.21 3hh2D1 CYS 144 H -0.06 0.18 0.00 -0.55 8.50 8.08 3hh2D1 CYS 144 HA -0.04 0.06 0.36 -0.75 4.58 4.20 3hh2D1 CYS 144 HB2 -0.03 0.18 -0.06 -0.04 2.97 3.02 3hh2D1 CYS 144 HB3 -0.02 0.01 -0.24 -0.04 2.97 2.69 3hh2D1 PRO 145 HA -0.00 0.07 0.56 -0.51 4.44 4.56 3hh2D1 PRO 145 HB2 -0.01 -0.03 0.01 -0.04 2.28 2.21 3hh2D1 PRO 145 HB3 -0.03 -0.02 0.12 -0.04 2.02 2.05 3hh2D1 PRO 145 HG2 0.02 0.00 0.04 -0.04 2.03 2.05 3hh2D1 PRO 145 HG3 0.01 -0.00 0.03 -0.04 2.03 2.02 3hh2D1 PRO 145 HD2 0.04 0.11 0.24 -0.04 3.68 4.04 3hh2D1 PRO 145 HD3 0.04 0.10 0.28 -0.04 3.65 4.03 3hh2D1 GLY 146 H -0.00 0.07 0.16 -0.55 8.43 8.11 3hh2D1 GLY 146 HA2 -0.00 0.01 0.34 -0.51 4.01 3.84 3hh2D1 GLY 146 HA3 0.00 -0.03 0.30 -0.51 4.01 3.77 3hh2D1 SER 147 H 0.00 0.07 0.13 -0.55 8.46 8.12 3hh2D1 SER 147 HA 0.00 0.21 0.72 -0.75 4.49 4.67 3hh2D1 SER 147 HB2 -0.00 0.01 0.16 -0.04 3.95 4.08 3hh2D1 SER 147 HB3 -0.00 -0.04 0.05 -0.04 3.93 3.90 3hh2D1 SER 148 H 0.00 0.37 -0.33 -0.55 8.46 7.96 3hh2D1 SER 148 HA 0.00 0.12 0.68 -0.75 4.49 4.53 3hh2D1 SER 148 HB2 0.02 -0.03 -0.20 -0.04 3.95 3.70 3hh2D1 SER 148 HB3 0.01 -0.14 -0.14 -0.04 3.93 3.62 3hh2D1 THR 149 H -0.01 0.64 0.41 -0.55 8.28 8.77 3hh2D1 THR 149 HA -0.03 0.17 0.91 -0.75 4.39 4.68 3hh2D1 THR 149 HB -0.02 -0.07 0.06 -0.04 4.32 4.25 3hh2D1 THR 149 HG23 -0.03 0.07 0.06 -0.04 1.22 1.27 3hh2D1 CYS 150 H -0.06 0.16 0.22 -0.55 8.50 8.27 3hh2D1 CYS 150 HA -0.05 0.33 0.77 -0.75 4.58 4.88 3hh2D1 CYS 150 HB2 -0.17 -0.02 0.03 -0.04 2.97 2.77 3hh2D1 CYS 150 HB3 -0.11 -0.00 0.17 -0.04 2.97 2.98 3hh2D1 VAL 151 H 0.05 0.62 0.46 -0.55 8.24 8.82 3hh2D1 VAL 151 HA 0.00 0.28 0.65 -0.75 4.13 4.31 3hh2D1 VAL 151 HB 0.01 -0.01 -0.05 -0.04 2.12 2.03 3hh2D1 VAL 151 HG13 -0.01 -0.00 -0.18 -0.04 0.97 0.74 3hh2D1 VAL 151 HG23 0.04 -0.03 -0.21 -0.04 0.95 0.72 3hh2D1 VAL 152 H 0.03 0.53 0.29 -0.55 8.24 8.54 3hh2D1 VAL 152 HA 0.16 0.48 1.05 -0.75 4.13 5.06 3hh2D1 VAL 152 HB 0.05 -0.18 -0.08 -0.04 2.12 1.87 3hh2D1 VAL 152 HG13 0.00 -0.00 -0.31 -0.04 0.97 0.62 3hh2D1 VAL 152 HG23 0.01 0.06 0.08 -0.04 0.95 1.06 3hh2D1 ASP 153 H 0.22 0.34 0.18 -0.55 8.40 8.59 3hh2D1 ASP 153 HA 0.02 0.21 0.71 -0.75 4.63 4.81 3hh2D1 ASP 153 HB2 0.02 -0.10 0.20 -0.04 2.71 2.80 3hh2D1 ASP 153 HB3 0.04 0.14 0.06 -0.04 2.70 2.89 3hh2D1 GLN 154 H 0.02 0.19 0.15 -0.55 8.47 8.29 3hh2D1 GLN 154 HA 0.01 0.14 0.31 -0.75 4.36 4.07 3hh2D1 GLN 154 HB2 0.00 0.04 0.14 -0.04 2.15 2.29 3hh2D1 GLN 154 HB3 -0.00 -0.00 0.13 -0.04 2.02 2.10 3hh2D1 GLN 154 HG2 0.02 0.05 -0.26 -0.04 2.40 2.17 3hh2D1 GLN 154 HG3 0.01 0.03 -0.02 -0.04 2.39 2.36 3hh2D1 GLN 154 HE21 0.01 0.03 0.01 -0.04 6.97 6.98 3hh2D1 GLN 154 HE22 0.01 0.02 -0.01 -0.04 7.69 7.68 3hh2D1 THR 155 H 0.06 -0.04 -0.41 -0.55 8.28 7.33 3hh2D1 THR 155 HA 0.02 0.29 0.93 -0.75 4.39 4.88 3hh2D1 THR 155 HB 0.05 -0.03 0.01 -0.04 4.32 4.30 3hh2D1 THR 155 HG23 0.02 0.02 0.10 -0.04 1.22 1.32 3hh2D1 ASN 156 H 0.04 0.45 -0.26 -0.55 8.53 8.22 3hh2D1 ASN 156 HA 0.03 0.08 0.28 -0.75 4.76 4.40 3hh2D1 ASN 156 HB2 0.02 -0.01 -0.55 -0.04 2.88 2.30 3hh2D1 ASN 156 HB3 0.01 0.11 0.12 -0.04 2.79 2.99 3hh2D1 ASN 156 HD21 0.00 -0.00 -0.01 -0.04 7.03 6.97 3hh2D1 ASN 156 HD22 0.01 0.05 -0.03 -0.04 7.74 7.72 3hh2D1 ASN 157 H 0.08 -0.13 -0.33 -0.55 8.53 7.61 3hh2D1 ASN 157 HA -0.03 0.26 0.80 -0.75 4.76 5.03 3hh2D1 ASN 157 HB2 0.13 -0.16 0.04 -0.04 2.88 2.84 3hh2D1 ASN 157 HB3 -0.18 0.15 0.02 -0.04 2.79 2.73 3hh2D1 ASN 157 HD21 0.05 0.04 -0.04 -0.04 7.03 7.04 3hh2D1 ASN 157 HD22 0.12 -0.12 -0.04 -0.04 7.74 7.66 3hh2D1 ALA 158 H -0.07 0.76 0.32 -0.55 8.40 8.86 3hh2D1 ALA 158 HA 0.01 0.21 0.74 -0.75 4.34 4.54 3hh2D1 ALA 158 HB3 -0.09 0.01 -0.16 -0.04 1.41 1.12 3hh2D1 TYR 159 H 0.19 0.84 0.41 -0.55 8.29 9.18 3hh2D1 TYR 159 HA 0.21 0.13 0.78 -0.75 4.56 4.92 3hh2D1 TYR 159 HB2 0.02 -0.03 -0.03 -0.04 3.06 2.98 3hh2D1 TYR 159 HB3 0.05 0.03 -0.09 -0.04 2.98 2.94 3hh2D1 TYR 159 HD2 0.04 0.09 -0.09 -0.04 7.15 7.15 3hh2D1 TYR 159 HE2 0.02 -0.06 -0.11 -0.04 6.85 6.66 3hh2D1 CYS 160 H 0.26 0.15 0.04 -0.55 8.50 8.40 3hh2D1 CYS 160 HA 0.02 0.34 0.89 -0.75 4.58 5.07 3hh2D1 CYS 160 HB2 0.16 0.06 0.11 -0.04 2.97 3.26 3hh2D1 CYS 160 HB3 0.04 0.01 -0.06 -0.04 2.97 2.92 3hh2D1 VAL 161 H 0.03 0.76 0.30 -0.55 8.24 8.77 3hh2D1 VAL 161 HA 0.03 0.19 0.89 -0.75 4.13 4.49 3hh2D1 VAL 161 HB 0.00 -0.08 0.03 -0.04 2.12 2.04 3hh2D1 VAL 161 HG13 0.04 0.01 -0.34 -0.04 0.97 0.64 3hh2D1 VAL 161 HG23 -0.00 0.02 -0.25 -0.04 0.95 0.68 3hh2D1 THR 162 H 0.00 0.18 0.08 -0.55 8.28 7.98 3hh2D1 THR 162 HA -0.00 0.25 0.90 -0.75 4.39 4.78 3hh2D1 THR 162 HB -0.01 -0.04 0.15 -0.04 4.32 4.38 3hh2D1 THR 162 HG23 -0.01 0.02 -0.19 -0.04 1.22 1.00 3hh2D1 CYS 163 H -0.01 0.28 0.04 -0.55 8.50 8.25 3hh2D1 CYS 163 HA -0.02 0.01 0.42 -0.75 4.58 4.23 3hh2D1 CYS 163 HB2 -0.02 0.02 0.08 -0.04 2.97 3.02 3hh2D1 CYS 163 HB3 -0.02 0.06 -0.06 -0.04 2.97 2.91 3hh2D1 ASN 164 H -0.03 0.16 0.22 -0.55 8.53 8.34 3hh2D1 ASN 164 HA -0.03 0.01 0.46 -0.75 4.76 4.45 3hh2D1 ASN 164 HB2 -0.03 0.05 0.14 -0.04 2.88 3.00 3hh2D1 ASN 164 HB3 -0.04 -0.02 0.12 -0.04 2.79 2.81 3hh2D1 ASN 164 HD21 -0.06 0.27 -0.01 -0.04 7.03 7.20 3hh2D1 ASN 164 HD22 -0.05 -0.04 -0.04 -0.04 7.74 7.56 3hh2D1 ARG 165 H -0.03 0.10 0.17 -0.55 8.46 8.15 3hh2D1 ARG 165 HA -0.04 0.19 0.81 -0.75 4.34 4.55 3hh2D1 ARG 165 HB2 -0.02 -0.01 0.09 -0.04 1.90 1.92 3hh2D1 ARG 165 HB3 -0.02 -0.04 0.17 -0.04 1.80 1.87 3hh2D1 ARG 165 HG2 -0.01 -0.05 -0.01 -0.04 1.67 1.56 3hh2D1 ARG 165 HG3 -0.02 0.16 -0.31 -0.04 1.67 1.46 3hh2D1 ARG 165 HD2 -0.01 0.05 0.01 -0.04 3.22 3.22 3hh2D1 ARG 165 HD3 -0.01 -0.07 0.01 -0.04 3.22 3.11 3hh2D1 ILE 166 H -0.05 0.10 -0.13 -0.55 8.25 7.63 3hh2D1 ILE 166 HA -0.05 0.23 1.01 -0.75 4.18 4.62 3hh2D1 ILE 166 HB -0.03 -0.03 0.12 -0.04 1.89 1.90 3hh2D1 ILE 166 HG12 -0.02 0.11 -0.13 -0.04 1.49 1.41 3hh2D1 ILE 166 HG13 -0.02 -0.14 -0.20 -0.04 1.21 0.81 3hh2D1 ILE 166 HG23 -0.03 0.00 -0.19 -0.04 0.93 0.67 3hh2D1 ILE 166 HD13 -0.02 0.01 -0.03 -0.04 0.88 0.80 3hh2D1 CYS 167 H -0.11 0.24 0.02 -0.55 8.50 8.10 3hh2D1 CYS 167 HA -0.12 0.24 0.92 -0.75 4.58 4.88 3hh2D1 CYS 167 HB2 -0.59 -0.00 -0.08 -0.04 2.97 2.26 3hh2D1 CYS 167 HB3 -0.39 0.02 -0.15 -0.04 2.97 2.41 3hh2D1 PRO 168 HA -0.00 0.06 0.60 -0.51 4.44 4.59 3hh2D1 PRO 168 HB2 -0.00 0.05 0.02 -0.04 2.28 2.30 3hh2D1 PRO 168 HB3 -0.01 0.06 0.09 -0.04 2.02 2.12 3hh2D1 PRO 168 HG2 -0.02 -0.03 0.14 -0.04 2.03 2.07 3hh2D1 PRO 168 HG3 -0.02 0.07 0.08 -0.04 2.03 2.12 3hh2D1 PRO 168 HD2 -0.06 0.05 0.24 -0.04 3.68 3.87 3hh2D1 PRO 168 HD3 -0.04 0.19 0.05 -0.04 3.65 3.81 3hh2D1 GLU 169 H 0.04 0.17 0.10 -0.55 8.60 8.35 3hh2D1 GLU 169 HA 0.17 0.06 0.11 -0.75 4.29 3.88 3hh2D1 GLU 169 HB2 0.03 0.00 0.08 -0.04 2.09 2.16 3hh2D1 GLU 169 HB3 0.03 0.03 0.07 -0.04 1.99 2.09 3hh2D1 GLU 169 HG2 0.05 0.02 0.12 -0.04 2.34 2.49 3hh2D1 GLU 169 HG3 0.03 0.01 0.06 -0.04 2.34 2.40 3hh2D1 GLU 174 HA 0.09 -0.03 0.24 -0.75 4.29 3.84 3hh2D1 GLN 175 H -0.25 0.29 0.13 -0.55 8.47 8.08 3hh2D1 GLN 175 HA -0.01 0.18 0.90 -0.75 4.36 4.67 3hh2D1 GLN 175 HB2 -0.03 -0.11 0.21 -0.04 2.15 2.18 3hh2D1 GLN 175 HB3 -0.04 0.01 0.04 -0.04 2.02 1.99 3hh2D1 GLN 175 HG2 -0.16 0.15 0.22 -0.04 2.40 2.56 3hh2D1 GLN 175 HG3 -0.08 -0.14 0.31 -0.04 2.39 2.45 3hh2D1 GLN 175 HE21 -0.02 0.00 0.02 -0.04 6.97 6.93 3hh2D1 GLN 175 HE22 -0.03 0.03 0.06 -0.04 7.69 7.71 3hh2D1 TYR 176 H 0.12 0.15 -0.24 -0.55 8.29 7.77 3hh2D1 TYR 176 HA 0.02 0.21 0.44 -0.75 4.56 4.47 3hh2D1 TYR 176 HB2 0.02 -0.10 -0.05 -0.04 3.06 2.89 3hh2D1 TYR 176 HB3 0.01 0.05 -0.24 -0.04 2.98 2.76 3hh2D1 TYR 176 HD2 -0.01 0.03 -0.11 -0.04 7.15 7.02 3hh2D1 TYR 176 HE2 -0.03 -0.00 -0.04 -0.04 6.85 6.74 3hh2D1 LEU 177 H 0.16 0.57 0.30 -0.55 8.37 8.84 3hh2D1 LEU 177 HA 0.06 0.18 1.00 -0.75 4.35 4.84 3hh2D1 LEU 177 HB2 0.11 -0.11 -0.05 -0.04 1.64 1.55 3hh2D1 LEU 177 HB3 0.03 -0.01 -0.07 -0.04 1.64 1.55 3hh2D1 LEU 177 HG 0.04 0.14 -0.41 -0.04 1.64 1.37 3hh2D1 LEU 177 HD13 0.00 -0.03 -0.21 -0.04 0.93 0.65 3hh2D1 LEU 177 HD23 0.03 0.04 -0.09 -0.04 0.89 0.83 3hh2D1 CYS 178 H -0.12 0.69 0.28 -0.55 8.50 8.80 3hh2D1 CYS 178 HA -0.08 0.16 1.05 -0.75 4.58 4.96 3hh2D1 CYS 178 HB2 -0.33 0.10 -0.29 -0.04 2.97 2.40 3hh2D1 CYS 178 HB3 -1.13 -0.05 0.09 -0.04 2.97 1.85 3hh2D1 GLY 179 H 0.10 0.65 0.26 -0.55 8.43 8.90 3hh2D1 GLY 179 HA2 -0.02 0.14 0.70 -0.51 4.01 4.32 3hh2D1 GLY 179 HA3 0.16 -0.00 0.37 -0.51 4.01 4.02 3hh2D1 ASN 180 H -0.04 0.78 0.12 -0.55 8.53 8.84 3hh2D1 ASN 180 HA -0.07 0.09 0.46 -0.75 4.76 4.49 3hh2D1 ASN 180 HB2 -0.04 0.36 0.08 -0.04 2.88 3.24 3hh2D1 ASN 180 HB3 -0.05 -0.02 0.05 -0.04 2.79 2.73 3hh2D1 ASN 180 HD21 -0.03 0.01 -0.18 -0.04 7.03 6.79 3hh2D1 ASN 180 HD22 -0.04 0.13 -0.03 -0.04 7.74 7.77 3hh2D1 ASP 181 H 0.02 -0.06 -0.58 -0.55 8.40 7.23 3hh2D1 ASP 181 HA -0.02 0.21 0.55 -0.75 4.63 4.62 3hh2D1 ASP 181 HB2 0.02 0.06 0.09 -0.04 2.71 2.83 3hh2D1 ASP 181 HB3 0.02 0.05 0.03 -0.04 2.70 2.75 3hh2D1 GLY 182 H -0.04 0.52 -0.36 -0.55 8.43 8.00 3hh2D1 GLY 182 HA2 -0.05 0.03 0.24 -0.51 4.01 3.71 3hh2D1 GLY 182 HA3 -0.04 0.13 0.46 -0.51 4.01 4.05 3hh2D1 VAL 183 H -0.02 -0.04 -0.26 -0.55 8.24 7.38 3hh2D1 VAL 183 HA -0.15 0.22 0.86 -0.75 4.13 4.31 3hh2D1 VAL 183 HB -0.14 -0.12 -0.01 -0.04 2.12 1.80 3hh2D1 VAL 183 HG13 -0.60 0.02 -0.16 -0.04 0.97 0.19 3hh2D1 VAL 183 HG23 -0.05 0.05 -0.15 -0.04 0.95 0.76 3hh2D1 THR 184 H -0.21 0.19 0.18 -0.55 8.28 7.89 3hh2D1 THR 184 HA -0.09 0.26 0.99 -0.75 4.39 4.79 3hh2D1 THR 184 HB -0.11 0.01 0.17 -0.04 4.32 4.35 3hh2D1 THR 184 HG23 0.00 0.02 -0.14 -0.04 1.22 1.06 3hh2D1 TYR 185 H 0.13 0.78 0.40 -0.55 8.29 9.04 3hh2D1 TYR 185 HA -0.02 0.19 0.95 -0.75 4.56 4.93 3hh2D1 TYR 185 HB2 0.00 0.01 0.05 -0.04 3.06 3.08 3hh2D1 TYR 185 HB3 0.03 -0.13 0.05 -0.04 2.98 2.89 3hh2D1 TYR 185 HD2 0.01 0.00 -0.13 -0.04 7.15 6.99 3hh2D1 TYR 185 HE2 -0.01 -0.03 -0.03 -0.04 6.85 6.73 3hh2D1 SER 186 H -0.15 0.14 0.16 -0.55 8.46 8.06 3hh2D1 SER 186 HA -0.18 0.14 0.47 -0.75 4.49 4.17 3hh2D1 SER 186 HB2 -0.28 0.06 0.10 -0.04 3.95 3.79 3hh2D1 SER 186 HB3 -0.19 0.04 0.07 -0.04 3.93 3.81 3hh2D1 SER 187 H 0.09 0.03 -0.05 -0.55 8.46 7.99 3hh2D1 SER 187 HA -0.01 0.49 0.44 -0.75 4.49 4.66 3hh2D1 SER 187 HB2 0.03 -0.02 0.21 -0.04 3.95 4.13 3hh2D1 SER 187 HB3 0.06 0.23 -0.10 -0.04 3.93 4.08 3hh2D1 ALA 188 H 0.01 0.29 0.15 -0.55 8.40 8.30 3hh2D1 ALA 188 HA -0.02 0.07 0.47 -0.75 4.34 4.10 3hh2D1 ALA 188 HB3 -0.02 0.04 0.10 -0.04 1.41 1.49 3hh2D1 CYS 189 H -0.00 0.14 -0.11 -0.55 8.50 7.98 3hh2D1 CYS 189 HA -0.06 0.10 0.36 -0.75 4.58 4.22 3hh2D1 CYS 189 HB2 -0.06 0.05 0.10 -0.04 2.97 3.02 3hh2D1 CYS 189 HB3 -0.10 -0.02 0.02 -0.04 2.97 2.83 3hh2D1 HIS 190 H 0.13 0.07 -0.32 -0.55 8.41 7.74 3hh2D1 HIS 190 HA 0.01 0.11 0.41 -0.75 4.63 4.41 3hh2D1 HIS 190 HB2 0.10 -0.06 0.14 -0.04 3.26 3.40 3hh2D1 HIS 190 HB3 0.17 0.07 0.02 -0.04 3.20 3.42 3hh2D1 HIS 190 HD2 0.05 0.07 0.00 -0.04 6.97 7.05 3hh2D1 HIS 190 HE1 -0.01 0.06 -0.20 -0.04 7.75 7.56 3hh2D1 LEU 191 H -0.03 0.45 -0.09 -0.55 8.37 8.15 3hh2D1 LEU 191 HA -0.96 0.05 0.46 -0.75 4.35 3.14 3hh2D1 LEU 191 HB2 -0.46 -0.01 0.04 -0.04 1.64 1.16 3hh2D1 LEU 191 HB3 -0.18 0.10 0.15 -0.04 1.64 1.67 3hh2D1 LEU 191 HG -0.23 0.01 -0.29 -0.04 1.64 1.09 3hh2D1 LEU 191 HD13 -0.51 -0.03 -0.01 -0.04 0.93 0.34 3hh2D1 LEU 191 HD23 -0.12 -0.02 -0.16 -0.04 0.89 0.56 3hh2D1 ARG 192 H -0.11 0.61 -0.11 -0.55 8.46 8.30 3hh2D1 ARG 192 HA -0.10 -0.02 0.48 -0.75 4.34 3.94 3hh2D1 ARG 192 HB2 -0.07 0.11 0.13 -0.04 1.90 2.02 3hh2D1 ARG 192 HB3 -0.07 -0.00 -0.02 -0.04 1.80 1.67 3hh2D1 ARG 192 HG2 -0.07 -0.04 0.01 -0.04 1.67 1.53 3hh2D1 ARG 192 HG3 -0.08 0.05 0.04 -0.04 1.67 1.63 3hh2D1 ARG 192 HD2 -0.05 -0.03 -0.14 -0.04 3.22 2.96 3hh2D1 ARG 192 HD3 -0.05 0.02 -0.04 -0.04 3.22 3.11 3hh2D1 LYS 193 H -0.08 0.55 -0.10 -0.55 8.42 8.23 3hh2D1 LYS 193 HA -0.05 0.08 0.49 -0.75 4.32 4.09 3hh2D1 ALA 194 H -0.04 0.60 -0.07 -0.55 8.40 8.34 3hh2D1 ALA 194 HA 0.02 0.05 0.43 -0.75 4.34 4.09 3hh2D1 ALA 194 HB3 0.05 0.00 0.10 -0.04 1.41 1.52 3hh2D1 THR 195 H -0.11 0.47 -0.29 -0.55 8.28 7.80 3hh2D1 THR 195 HA -0.05 0.05 0.41 -0.75 4.39 4.04 3hh2D1 THR 195 HB -0.08 0.14 0.20 -0.04 4.32 4.53 3hh2D1 THR 195 HG23 -0.05 0.02 -0.18 -0.04 1.22 0.97 3hh2D1 CYS 196 H -0.05 0.64 -0.08 -0.55 8.50 8.47 3hh2D1 CYS 196 HA -0.03 -0.02 0.33 -0.75 4.58 4.10 3hh2D1 CYS 196 HB2 -0.04 0.19 0.18 -0.04 2.97 3.25 3hh2D1 CYS 196 HB3 -0.03 0.10 0.08 -0.04 2.97 3.08 3hh2D1 LEU 197 H -0.02 0.46 -0.26 -0.55 8.37 8.01 3hh2D1 LEU 197 HA -0.01 0.05 0.44 -0.75 4.35 4.07 3hh2D1 LEU 197 HB2 0.00 0.03 0.13 -0.04 1.64 1.77 3hh2D1 LEU 197 HB3 0.00 -0.05 0.01 -0.04 1.64 1.56 3hh2D1 LEU 197 HG -0.01 0.15 0.01 -0.04 1.64 1.75 3hh2D1 LEU 197 HD13 0.01 -0.03 -0.03 -0.04 0.93 0.83 3hh2D1 LEU 197 HD23 -0.01 -0.01 -0.04 -0.04 0.89 0.79 3hh2D1 LEU 198 H -0.01 0.49 -0.11 -0.55 8.37 8.19 3hh2D1 LEU 198 HA -0.01 -0.01 0.53 -0.75 4.35 4.11 3hh2D1 LEU 198 HB2 -0.00 0.00 0.16 -0.04 1.64 1.76 3hh2D1 LEU 198 HB3 -0.02 0.12 0.20 -0.04 1.64 1.90 3hh2D1 LEU 198 HG -0.01 -0.03 -0.10 -0.04 1.64 1.45 3hh2D1 LEU 198 HD13 -0.00 -0.01 0.06 -0.04 0.93 0.93 3hh2D1 LEU 198 HD23 -0.01 0.01 -0.08 -0.04 0.89 0.77 3hh2D1 GLY 199 H -0.02 0.38 -0.28 -0.55 8.43 7.97 3hh2D1 GLY 199 HA2 -0.02 0.19 0.45 -0.51 4.01 4.12 3hh2D1 GLY 199 HA3 -0.02 0.09 0.70 -0.51 4.01 4.27 3hh2D1 ARG 200 H -0.02 0.35 -0.04 -0.55 8.46 8.20 3hh2D1 ARG 200 HA -0.01 0.10 0.62 -0.75 4.34 4.30 3hh2D1 ARG 200 HB2 -0.01 -0.06 0.09 -0.04 1.90 1.88 3hh2D1 ARG 200 HB3 -0.01 0.06 -0.25 -0.04 1.80 1.56 3hh2D1 ARG 200 HG2 -0.01 0.01 -0.23 -0.04 1.67 1.40 3hh2D1 ARG 200 HG3 -0.01 0.16 -0.37 -0.04 1.67 1.40 3hh2D1 ARG 200 HD2 -0.01 -0.03 -0.06 -0.04 3.22 3.08 3hh2D1 ARG 200 HD3 -0.01 -0.02 -0.09 -0.04 3.22 3.06 3hh2D1 SER 201 H -0.02 0.14 0.09 -0.55 8.46 8.13 3hh2D1 SER 201 HA -0.04 -0.04 0.39 -0.75 4.49 4.05 3hh2D1 SER 201 HB2 -0.02 0.05 0.01 -0.04 3.95 3.95 3hh2D1 SER 201 HB3 -0.03 -0.06 -0.12 -0.04 3.93 3.68 3hh2D1 ILE 202 H -0.05 -0.03 0.21 -0.55 8.25 7.83 3hh2D1 ILE 202 HA -0.03 0.23 0.80 -0.75 4.18 4.44 3hh2D1 ILE 202 HB -0.09 -0.13 0.19 -0.04 1.89 1.82 3hh2D1 ILE 202 HG12 -0.00 0.04 -0.01 -0.04 1.49 1.48 3hh2D1 ILE 202 HG13 -0.03 0.14 -0.11 -0.04 1.21 1.17 3hh2D1 ILE 202 HG23 0.00 0.03 -0.06 -0.04 0.93 0.86 3hh2D1 ILE 202 HD13 -0.04 0.01 -0.11 -0.04 0.88 0.70 3hh2D1 GLY 203 H -0.07 -0.00 0.11 -0.55 8.43 7.92 3hh2D1 GLY 203 HA2 -0.05 -0.01 0.35 -0.51 4.01 3.79 3hh2D1 GLY 203 HA3 -0.04 0.25 0.44 -0.51 4.01 4.15 3hh2D1 LEU 204 H -0.04 0.16 0.13 -0.55 8.37 8.07 3hh2D1 LEU 204 HA -0.05 0.07 0.56 -0.75 4.35 4.17 3hh2D1 LEU 204 HB2 -0.04 -0.05 0.04 -0.04 1.64 1.55 3hh2D1 LEU 204 HB3 -0.02 0.01 0.15 -0.04 1.64 1.73 3hh2D1 LEU 204 HG -0.00 0.07 -0.50 -0.04 1.64 1.16 3hh2D1 LEU 204 HD13 -0.02 0.02 -0.16 -0.04 0.93 0.73 3hh2D1 LEU 204 HD23 0.01 -0.01 -0.08 -0.04 0.89 0.77 3hh2D1 ALA 205 H -0.12 0.65 0.40 -0.55 8.40 8.78 3hh2D1 ALA 205 HA -0.01 0.08 0.79 -0.75 4.34 4.45 3hh2D1 ALA 205 HB3 -0.18 0.05 -0.05 -0.04 1.41 1.19 3hh2D1 TYR 206 H -0.33 0.42 0.25 -0.55 8.29 8.07 3hh2D1 TYR 206 HA 0.02 0.07 0.39 -0.75 4.56 4.28 3hh2D1 TYR 206 HB2 0.03 0.08 0.03 -0.04 3.06 3.16 3hh2D1 TYR 206 HB3 0.02 0.02 0.04 -0.04 2.98 3.02 3hh2D1 TYR 206 HD2 0.02 0.18 -0.45 -0.04 7.15 6.86 3hh2D1 TYR 206 HE2 0.01 0.17 -0.19 -0.04 6.85 6.80 3hh2D1 GLU 207 H 0.16 0.10 0.13 -0.55 8.60 8.44 3hh2D1 GLU 207 HA 0.09 0.08 0.67 -0.75 4.29 4.37 3hh2D1 GLY 208 H 0.13 0.65 0.22 -0.55 8.43 8.88 3hh2D1 GLY 208 HA2 0.14 -0.05 0.27 -0.51 4.01 3.87 3hh2D1 GLY 208 HA3 0.15 0.18 0.69 -0.51 4.01 4.52 3hh2D1 LYS 209 H 0.04 0.09 0.03 -0.55 8.42 8.02 3hh2D1 LYS 209 HA 0.01 0.05 0.42 -0.75 4.32 4.04 3hh2D1 LYS 209 HB2 -0.06 0.03 -0.01 -0.04 1.87 1.79 3hh2D1 LYS 209 HB3 -0.09 0.04 0.03 -0.04 1.79 1.73 3hh2D1 LYS 209 HG2 -0.43 -0.01 -0.05 -0.04 1.46 0.93 3hh2D1 LYS 209 HG3 -0.25 -0.06 0.01 -0.04 1.46 1.11 3hh2D1 LYS 209 HD2 -0.21 0.01 -0.01 -0.04 1.69 1.44 3hh2D1 LYS 209 HD3 -0.28 0.02 -0.01 -0.04 1.68 1.37 3hh2D1 LYS 209 HE2 -1.31 -0.01 -0.03 -0.04 2.99 1.60 3hh2D1 LYS 209 HE3 -0.63 -0.00 -0.01 -0.04 2.99 2.31 3hh2D1 CYS 210 H -0.02 0.03 0.04 -0.55 8.50 8.00 3hh2D1 CYS 210 HA 0.14 0.05 0.29 -0.75 4.58 4.31 3hh2D1 CYS 210 HB2 -0.02 -0.04 -0.02 -0.04 2.97 2.85 3hh2D1 CYS 210 HB3 0.03 0.11 -0.08 -0.04 2.97 2.98 3hh2D1 ILE 211 H 0.31 0.14 0.16 -0.55 8.25 8.32 3hh2D1 ILE 211 HA 0.05 0.20 0.82 -0.75 4.18 4.51 3hh2D1 ILE 211 HB 0.04 -0.03 -0.01 -0.04 1.89 1.85 3hh2D1 ILE 211 HG12 -0.03 0.09 -0.02 -0.04 1.49 1.49 3hh2D1 ILE 211 HG13 0.10 -0.08 0.07 -0.04 1.21 1.27 3hh2D1 ILE 211 HG23 0.04 0.05 -0.09 -0.04 0.93 0.88 3hh2D1 ILE 211 HD13 0.03 -0.03 -0.29 -0.04 0.88 0.55 3hh2D1 LYS 212 H 0.04 0.16 0.02 -0.55 8.42 8.08 3hh2D1 LYS 212 HA 0.06 0.16 0.55 -0.75 4.32 4.34 3hh2D1 LYS 212 HB2 0.03 -0.04 0.19 -0.04 1.87 2.01 3hh2D1 LYS 212 HB3 0.04 0.06 0.13 -0.04 1.79 1.97 3hh2D1 LYS 212 HG2 0.02 -0.04 0.02 -0.04 1.46 1.41 3hh2D1 LYS 212 HG3 0.01 -0.01 0.03 -0.04 1.46 1.46 3hh2D1 LYS 212 HD2 0.02 0.05 0.00 -0.04 1.69 1.72 3hh2D1 LYS 212 HD3 0.02 0.03 -0.13 -0.04 1.68 1.56 3hh2D1 LYS 212 HE2 -0.00 -0.03 -0.02 -0.04 2.99 2.89 3hh2D1 LYS 212 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.94 3hh2D1 ALA 213 H 0.14 0.44 -0.06 -0.55 8.40 8.37 3hh2D1 ALA 213 HA 0.07 -0.01 0.26 -0.75 4.34 3.91 3hh2D1 ALA 213 HB3 0.22 0.02 -0.04 -0.04 1.41 1.57 3hh2D1 LYS 214 H -0.02 -0.02 0.21 -0.55 8.42 8.03 3hh2D1 LYS 214 HA 0.09 0.28 0.85 -0.75 4.32 4.78 3hh2D1 SER 215 H -0.27 0.05 0.17 -0.55 8.46 7.87 3hh2D1 SER 215 HA -1.92 0.22 0.30 -0.75 4.49 2.33 3hh2D1 SER 215 HB2 -0.58 0.03 0.18 -0.04 3.95 3.55 3hh2D1 SER 215 HB3 -0.42 0.15 -0.13 -0.04 3.93 3.49 3hh2D1 CYS 216 H -0.49 0.25 0.10 -0.55 8.50 7.81 3hh2D1 CYS 216 HA 0.06 0.09 0.38 -0.75 4.58 4.35 3hh2D1 CYS 216 HB2 -0.07 0.03 0.12 -0.04 2.97 3.01 3hh2D1 CYS 216 HB3 0.00 0.08 0.02 -0.04 2.97 3.03 3hh2D1 GLU 217 H -0.17 0.04 -0.25 -0.55 8.60 7.68 3hh2D1 GLU 217 HA -0.06 0.13 0.34 -0.75 4.29 3.95 3hh2D1 GLU 217 HB2 -0.10 -0.04 -0.03 -0.04 2.09 1.87 3hh2D1 GLU 217 HB3 -0.06 0.05 0.03 -0.04 1.99 1.97 3hh2D1 GLU 217 HG2 -0.06 0.05 0.02 -0.04 2.34 2.31 3hh2D1 GLU 217 HG3 -0.11 -0.07 0.04 -0.04 2.34 2.16 3hh2D1 ASP 218 H -0.10 0.25 -0.57 -0.55 8.40 7.44 3hh2D1 ASP 218 HA -0.05 0.13 0.49 -0.75 4.63 4.45 3hh2D1 ASP 218 HB2 -0.02 0.07 0.08 -0.04 2.71 2.81 3hh2D1 ASP 218 HB3 -0.02 0.03 0.07 -0.04 2.70 2.73 3hh2D1 ILE 219 H -0.06 0.61 -0.31 -0.55 8.25 7.94 3hh2D1 ILE 219 HA -0.15 0.16 0.94 -0.75 4.18 4.38 3hh2D1 ILE 219 HB -0.08 0.00 0.05 -0.04 1.89 1.81 3hh2D1 ILE 219 HG12 -0.30 0.06 -0.17 -0.04 1.49 1.03 3hh2D1 ILE 219 HG13 -0.02 -0.11 -0.37 -0.04 1.21 0.67 3hh2D1 ILE 219 HG23 -0.46 -0.01 -0.34 -0.04 0.93 0.08 3hh2D1 ILE 219 HD13 0.06 -0.01 -0.16 -0.04 0.88 0.73 3hh2D1 GLN 220 H -0.10 0.20 0.02 -0.55 8.47 8.04 3hh2D1 GLN 220 HA -0.04 0.15 0.86 -0.75 4.36 4.57 3hh2D1 CYS 221 H -0.03 0.17 0.05 -0.55 8.50 8.15 3hh2D1 CYS 221 HA -0.01 0.05 0.36 -0.75 4.58 4.23 3hh2D1 CYS 221 HB2 0.00 0.15 -0.05 -0.04 2.97 3.02 3hh2D1 CYS 221 HB3 0.02 -0.04 -0.18 -0.04 2.97 2.72 3hh2D1 THR 222 H 0.03 0.17 0.14 -0.55 8.28 8.07 3hh2D1 THR 222 HA 0.01 0.18 0.94 -0.75 4.39 4.77 3hh2D1 THR 222 HB 0.02 -0.01 0.03 -0.04 4.32 4.32 3hh2D1 THR 222 HG23 0.03 0.03 -0.08 -0.04 1.22 1.16 3hh2D1 GLY 223 H 0.01 0.14 0.13 -0.55 8.43 8.16 3hh2D1 GLY 223 HA2 0.01 0.02 0.30 -0.51 4.01 3.83 3hh2D1 GLY 223 HA3 0.02 0.11 0.36 -0.51 4.01 3.99 3hh2D1 GLY 224 H 0.01 0.04 0.01 -0.55 8.43 7.94 3hh2D1 GLY 224 HA2 0.01 0.03 0.27 -0.51 4.01 3.80 3hh2D1 GLY 224 HA3 0.01 0.04 0.34 -0.51 4.01 3.89 3hh2D1 LYS 225 H 0.01 -0.00 -0.39 -0.55 8.42 7.49 3hh2D1 LYS 225 HA 0.02 0.38 0.80 -0.75 4.32 4.76 3hh2D1 LYS 225 HB2 0.03 -0.16 -0.25 -0.04 1.87 1.45 3hh2D1 LYS 225 HB3 0.03 -0.04 -0.32 -0.04 1.79 1.42 3hh2D1 LYS 225 HG2 0.02 -0.06 -0.40 -0.04 1.46 0.98 3hh2D1 LYS 225 HG3 0.02 0.16 -0.58 -0.04 1.46 1.02 3hh2D1 LYS 225 HD2 0.04 0.09 -0.06 -0.04 1.69 1.72 3hh2D1 LYS 225 HD3 0.04 0.01 -0.26 -0.04 1.68 1.43 3hh2D1 LYS 225 HE2 0.02 -0.10 -0.09 -0.04 2.99 2.78 3hh2D1 LYS 225 HE3 0.02 0.04 -0.04 -0.04 2.99 2.97 3hh2D1 LYS 226 H 0.02 0.66 0.22 -0.55 8.42 8.77 3hh2D1 LYS 226 HA 0.02 0.13 0.95 -0.75 4.32 4.67 3hh2D1 LYS 226 HB2 0.02 0.02 -0.06 -0.04 1.87 1.81 3hh2D1 LYS 226 HB3 0.02 -0.02 -0.01 -0.04 1.79 1.74 3hh2D1 LYS 226 HG2 0.02 -0.04 0.12 -0.04 1.46 1.52 3hh2D1 LYS 226 HG3 0.02 -0.04 0.05 -0.04 1.46 1.45 3hh2D1 LYS 226 HD2 0.02 -0.04 0.02 -0.04 1.69 1.65 3hh2D1 LYS 226 HD3 0.03 0.08 0.05 -0.04 1.68 1.80 3hh2D1 LYS 226 HE2 0.03 -0.07 0.03 -0.04 2.99 2.94 3hh2D1 LYS 226 HE3 0.02 -0.09 0.02 -0.04 2.99 2.90 3hh2D1 CYS 227 H 0.03 0.14 0.16 -0.55 8.50 8.27 3hh2D1 CYS 227 HA 0.05 0.25 0.69 -0.75 4.58 4.82 3hh2D1 CYS 227 HB2 0.02 0.03 0.07 -0.04 2.97 3.05 3hh2D1 CYS 227 HB3 0.04 -0.02 0.15 -0.04 2.97 3.10 3hh2D1 LEU 228 H 0.07 0.75 0.41 -0.55 8.37 9.05 3hh2D1 LEU 228 HA 0.10 0.24 0.63 -0.75 4.35 4.57 3hh2D1 LEU 228 HB2 0.03 -0.04 0.04 -0.04 1.64 1.63 3hh2D1 LEU 228 HB3 0.05 -0.07 -0.26 -0.04 1.64 1.32 3hh2D1 LEU 228 HG 0.04 0.07 -0.22 -0.04 1.64 1.49 3hh2D1 LEU 228 HD13 0.01 -0.03 -0.14 -0.04 0.93 0.73 3hh2D1 LEU 228 HD23 0.04 0.07 -0.32 -0.04 0.89 0.64 3hh2D1 TRP 229 H 0.24 0.73 0.23 -0.55 7.97 8.62 3hh2D1 TRP 229 HA -0.12 0.11 0.74 -0.75 4.62 4.59 3hh2D1 TRP 229 HB2 -0.17 -0.04 0.03 -0.04 3.23 3.01 3hh2D1 TRP 229 HB3 -0.34 0.06 0.14 -0.04 3.23 3.04 3hh2D1 TRP 229 HD1 -2.47 -0.06 -0.29 -0.04 7.22 4.36 3hh2D1 TRP 229 HE1 -0.42 0.05 -0.14 -0.04 10.20 9.64 3hh2D1 TRP 229 HE3 -0.11 -0.03 -0.31 -0.04 7.59 7.11 3hh2D1 TRP 229 HZ2 -0.10 0.15 -0.27 -0.04 7.44 7.18 3hh2D1 TRP 229 HZ3 -0.06 -0.00 -0.38 -0.04 7.13 6.64 3hh2D1 TRP 229 HH2 -0.05 0.26 -0.57 -0.04 7.19 6.78 3hh2D1 ASP 230 H -0.83 0.71 0.25 -0.55 8.40 7.99 3hh2D1 ASP 230 HA -0.12 0.11 0.89 -0.75 4.63 4.75 3hh2D1 ASP 230 HB2 -0.22 0.06 0.09 -0.04 2.71 2.60 3hh2D1 ASP 230 HB3 -0.42 0.09 0.29 -0.04 2.70 2.62 3hh2D1 PHE 231 H 0.21 0.30 0.13 -0.55 8.34 8.42 3hh2D1 PHE 231 HA 0.17 0.11 0.44 -0.75 4.62 4.59 3hh2D1 PHE 231 HB2 0.10 0.02 0.09 -0.04 3.15 3.31 3hh2D1 PHE 231 HB3 0.12 0.05 0.05 -0.04 3.06 3.23 3hh2D1 PHE 231 HD2 0.20 0.04 0.04 -0.04 7.28 7.52 3hh2D1 PHE 231 HE2 0.11 0.03 0.00 -0.04 7.38 7.48 3hh2D1 PHE 231 HZ 0.01 0.00 -0.00 -0.04 7.32 7.29 3hh2D1 LYS 232 H 0.05 0.02 -0.19 -0.55 8.42 7.74 3hh2D1 LYS 232 HA 0.07 0.15 0.53 -0.75 4.32 4.32 3hh2D1 LYS 232 HB2 -0.00 -0.05 0.04 -0.04 1.87 1.81 3hh2D1 LYS 232 HB3 0.01 0.06 0.01 -0.04 1.79 1.84 3hh2D1 LYS 232 HG2 0.05 0.06 0.01 -0.04 1.46 1.54 3hh2D1 LYS 232 HG3 0.07 -0.08 0.01 -0.04 1.46 1.41 3hh2D1 LYS 232 HD2 0.03 0.02 0.01 -0.04 1.69 1.71 3hh2D1 LYS 232 HD3 0.01 -0.03 -0.02 -0.04 1.68 1.61 3hh2D1 LYS 232 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 3hh2D1 LYS 232 HE3 0.01 0.02 -0.02 -0.04 2.99 2.96 3hh2D1 VAL 233 H -0.12 0.01 -0.24 -0.55 8.24 7.35 3hh2D1 VAL 233 HA -0.03 0.30 1.01 -0.75 4.13 4.65 3hh2D1 VAL 233 HB -0.08 0.05 0.06 -0.04 2.12 2.12 3hh2D1 VAL 233 HG13 -0.05 -0.01 -0.17 -0.04 0.97 0.70 3hh2D1 VAL 233 HG23 -0.18 -0.02 -0.10 -0.04 0.95 0.60 3hh2D1 GLY 234 H -0.20 0.23 -0.01 -0.55 8.43 7.90 3hh2D1 GLY 234 HA2 -0.06 -0.02 0.27 -0.51 4.01 3.69 3hh2D1 GLY 234 HA3 0.04 0.08 0.45 -0.51 4.01 4.06 3hh2D1 ARG 235 H -0.77 0.16 0.03 -0.55 8.46 7.33 3hh2D1 ARG 235 HA -0.72 0.18 0.65 -0.75 4.34 3.70 3hh2D1 ARG 235 HB2 -0.28 -0.05 -0.05 -0.04 1.90 1.47 3hh2D1 ARG 235 HB3 -0.21 0.05 0.01 -0.04 1.80 1.61 3hh2D1 ARG 235 HG2 -0.11 0.10 0.05 -0.04 1.67 1.67 3hh2D1 ARG 235 HG3 -0.15 0.09 -0.42 -0.04 1.67 1.15 3hh2D1 ARG 235 HD2 -0.06 -0.06 -0.04 -0.04 3.22 3.02 3hh2D1 ARG 235 HD3 -0.05 0.01 -0.07 -0.04 3.22 3.07 3hh2D1 GLY 236 H -0.25 0.16 0.07 -0.55 8.43 7.86 3hh2D1 GLY 236 HA2 -0.25 0.17 0.92 -0.51 4.01 4.35 3hh2D1 GLY 236 HA3 0.14 -0.03 0.22 -0.51 4.01 3.83 3hh2D1 ARG 237 H 0.05 0.50 0.36 -0.55 8.46 8.81 3hh2D1 ARG 237 HA 0.25 0.12 0.54 -0.75 4.34 4.50 3hh2D1 ARG 237 HB2 0.05 0.14 0.23 -0.04 1.90 2.27 3hh2D1 ARG 237 HB3 -0.00 0.01 -0.12 -0.04 1.80 1.65 3hh2D1 ARG 237 HG2 -0.00 0.04 0.04 -0.04 1.67 1.71 3hh2D1 ARG 237 HG3 0.03 -0.02 -0.30 -0.04 1.67 1.33 3hh2D1 ARG 237 HD2 -0.01 -0.08 -0.09 -0.04 3.22 3.01 3hh2D1 ARG 237 HD3 -0.01 0.06 -0.06 -0.04 3.22 3.18 3hh2D1 CYS 238 H 0.16 0.96 0.34 -0.55 8.50 9.41 3hh2D1 CYS 238 HA 0.06 0.23 0.84 -0.75 4.58 4.96 3hh2D1 CYS 238 HB2 0.12 0.01 0.19 -0.04 2.97 3.24 3hh2D1 CYS 238 HB3 0.05 -0.03 -0.14 -0.04 2.97 2.81 3hh2D1 SER 239 H 0.03 0.72 0.28 -0.55 8.46 8.94 3hh2D1 SER 239 HA 0.02 0.20 1.02 -0.75 4.49 4.98 3hh2D1 SER 239 HB2 0.02 0.04 0.00 -0.04 3.95 3.97 3hh2D1 SER 239 HB3 0.01 -0.12 0.08 -0.04 3.93 3.86 3hh2D1 LEU 240 H 0.01 0.11 0.18 -0.55 8.37 8.13 3hh2D1 LEU 240 HA 0.01 0.28 0.53 -0.75 4.35 4.42 3hh2D1 LEU 240 HB2 0.00 -0.11 0.18 -0.04 1.64 1.68 3hh2D1 LEU 240 HB3 0.01 0.01 0.06 -0.04 1.64 1.67 3hh2D1 LEU 240 HG 0.01 -0.03 0.08 -0.04 1.64 1.67 3hh2D1 LEU 240 HD13 0.00 -0.01 0.04 -0.04 0.93 0.92 3hh2D1 LEU 240 HD23 0.01 0.05 0.03 -0.04 0.89 0.93 3hh2D1 CYS 241 H 0.00 0.00 -0.07 -0.55 8.50 7.89 3hh2D1 CYS 241 HA 0.00 -0.05 0.28 -0.75 4.58 4.06 3hh2D1 CYS 241 HB2 0.01 0.22 -0.29 -0.04 2.97 2.87 3hh2D1 CYS 241 HB3 0.01 0.02 0.18 -0.04 2.97 3.13 3hh2D1 ASP 242 H 0.00 -0.08 -0.24 -0.55 8.40 7.54 3hh2D1 ASP 242 HA 0.00 0.28 0.81 -0.75 4.63 4.96 3hh2D1 ASP 242 HB2 0.00 -0.02 0.07 -0.04 2.71 2.73 3hh2D1 ASP 242 HB3 0.00 0.16 -0.06 -0.04 2.70 2.77 3hh2D1 GLU 243 H -0.00 -0.06 -0.08 -0.55 8.60 7.92 3hh2D1 GLU 243 HA 0.00 0.10 0.41 -0.75 4.29 4.05 3hh2D1 GLU 243 HB2 -0.00 -0.07 0.04 -0.04 2.09 2.02 3hh2D1 GLU 243 HB3 -0.00 0.13 -0.04 -0.04 1.99 2.04 3hh2D1 GLU 243 HG2 -0.00 0.06 0.01 -0.04 2.34 2.37 3hh2D1 GLU 243 HG3 -0.00 -0.09 -0.03 -0.04 2.34 2.18 3hh2D1 LEU 244 H 0.00 0.12 0.17 -0.55 8.37 8.11 3hh2D1 LEU 244 HA 0.00 0.19 0.78 -0.75 4.35 4.57 3hh2D1 LEU 244 HB2 0.00 -0.03 -0.01 -0.04 1.64 1.56 3hh2D1 LEU 244 HB3 0.00 0.01 -0.02 -0.04 1.64 1.59 3hh2D1 LEU 244 HG 0.00 0.04 -0.06 -0.04 1.64 1.59 3hh2D1 LEU 244 HD13 0.00 -0.00 -0.03 -0.04 0.93 0.86 3hh2D1 LEU 244 HD23 0.00 0.04 -0.15 -0.04 0.89 0.75 3hh2D1 CYS 245 H 0.01 0.21 0.07 -0.55 8.50 8.23 3hh2D1 CYS 245 HA 0.00 0.21 0.87 -0.75 4.58 4.91 3hh2D1 CYS 245 HB2 0.01 0.01 0.07 -0.04 2.97 3.02 3hh2D1 CYS 245 HB3 0.01 0.04 -0.06 -0.04 2.97 2.92 3hh2D1 PRO 246 HA 0.01 0.18 0.38 -0.51 4.44 4.50 3hh2D1 PRO 246 HB2 0.01 0.05 0.06 -0.04 2.28 2.35 3hh2D1 PRO 246 HB3 0.00 0.05 -0.01 -0.04 2.02 2.02 3hh2D1 PRO 246 HG2 0.00 0.05 0.05 -0.04 2.03 2.10 3hh2D1 PRO 246 HG3 0.00 0.06 -0.01 -0.04 2.03 2.05 3hh2D1 PRO 246 HD2 0.01 0.08 0.12 -0.04 3.68 3.85 3hh2D1 PRO 246 HD3 0.00 0.25 0.22 -0.04 3.65 4.08 3hh2D1 GLU 252 HA 0.02 -0.02 0.29 -0.75 4.29 3.83 3hh2D1 PRO 253 HA 0.04 0.14 0.19 -0.51 4.44 4.30 3hh2D1 PRO 253 HB2 0.03 -0.14 -0.06 -0.04 2.28 2.07 3hh2D1 PRO 253 HB3 0.03 0.02 0.02 -0.04 2.02 2.05 3hh2D1 PRO 253 HG2 0.02 -0.01 0.08 -0.04 2.03 2.08 3hh2D1 PRO 253 HG3 0.02 0.08 0.11 -0.04 2.03 2.20 3hh2D1 PRO 253 HD2 0.03 0.05 0.18 -0.04 3.68 3.89 3hh2D1 PRO 253 HD3 0.02 0.16 0.22 -0.04 3.65 4.01 3hh2D1 VAL 254 H 0.07 0.49 0.21 -0.55 8.24 8.45 3hh2D1 VAL 254 HA 0.03 0.13 0.97 -0.75 4.13 4.50 3hh2D1 VAL 254 HB 0.01 0.02 -0.08 -0.04 2.12 2.03 3hh2D1 VAL 254 HG13 0.03 0.04 -0.23 -0.04 0.97 0.76 3hh2D1 VAL 254 HG23 0.07 -0.04 -0.21 -0.04 0.95 0.73 3hh2D1 CYS 255 H -0.12 0.66 0.22 -0.55 8.50 8.71 3hh2D1 CYS 255 HA -0.04 0.12 0.91 -0.75 4.58 4.81 3hh2D1 CYS 255 HB2 -0.21 0.24 -0.24 -0.04 2.97 2.72 3hh2D1 CYS 255 HB3 -0.87 -0.02 0.13 -0.04 2.97 2.16 3hh2D1 ALA 256 H 0.10 0.69 0.26 -0.55 8.40 8.90 3hh2D1 ALA 256 HA 0.01 0.19 0.61 -0.75 4.34 4.39 3hh2D1 ALA 256 HB3 0.16 -0.03 0.07 -0.04 1.41 1.57 3hh2D1 SER 257 H 0.02 0.32 0.33 -0.55 8.46 8.58 3hh2D1 SER 257 HA 0.01 0.16 0.52 -0.75 4.49 4.43 3hh2D1 SER 257 HB2 0.03 0.06 0.13 -0.04 3.95 4.13 3hh2D1 SER 257 HB3 0.01 0.08 0.08 -0.04 3.93 4.05 3hh2D1 ASP 258 H 0.08 0.00 -0.29 -0.55 8.40 7.64 3hh2D1 ASP 258 HA 0.04 0.23 0.76 -0.75 4.63 4.90 3hh2D1 ASP 258 HB2 0.05 0.06 0.11 -0.04 2.71 2.90 3hh2D1 ASP 258 HB3 0.07 0.04 0.04 -0.04 2.70 2.81 3hh2D1 ASN 259 H 0.03 0.32 -0.51 -0.55 8.53 7.82 3hh2D1 ASN 259 HA 0.00 0.10 0.25 -0.75 4.76 4.35 3hh2D1 ASN 259 HB2 0.01 0.17 -0.02 -0.04 2.88 3.00 3hh2D1 ASN 259 HB3 0.01 -0.06 0.16 -0.04 2.79 2.86 3hh2D1 ASN 259 HD21 0.02 0.01 -0.08 -0.04 7.03 6.94 3hh2D1 ASN 259 HD22 0.01 0.02 -0.19 -0.04 7.74 7.54 3hh2D1 ALA 260 H 0.05 -0.02 -0.23 -0.55 8.40 7.66 3hh2D1 ALA 260 HA -0.08 0.20 0.87 -0.75 4.34 4.58 3hh2D1 ALA 260 HB3 -0.13 0.03 -0.06 -0.04 1.41 1.21 3hh2D1 THR 261 H -0.17 0.17 0.17 -0.55 8.28 7.90 3hh2D1 THR 261 HA -0.04 0.31 0.94 -0.75 4.39 4.85 3hh2D1 THR 261 HB -0.09 0.02 0.11 -0.04 4.32 4.31 3hh2D1 THR 261 HG23 -0.01 0.03 -0.12 -0.04 1.22 1.08 3hh2D1 TYR 262 H 0.11 0.68 0.34 -0.55 8.29 8.88 3hh2D1 TYR 262 HA -0.00 0.21 0.85 -0.75 4.56 4.86 3hh2D1 TYR 262 HB2 -0.01 0.05 0.05 -0.04 3.06 3.11 3hh2D1 TYR 262 HB3 -0.00 -0.14 -0.03 -0.04 2.98 2.77 3hh2D1 TYR 262 HD2 -0.01 -0.01 -0.17 -0.04 7.15 6.92 3hh2D1 TYR 262 HE2 -0.00 -0.03 -0.08 -0.04 6.85 6.69 3hh2D1 ALA 263 H 0.11 0.18 0.11 -0.55 8.40 8.25 3hh2D1 ALA 263 HA 0.04 0.08 0.28 -0.75 4.34 3.99 3hh2D1 ALA 263 HB3 0.04 0.02 0.07 -0.04 1.41 1.50 3hh2D1 SER 264 H 0.11 0.06 -0.48 -0.55 8.46 7.59 3hh2D1 SER 264 HA 0.04 0.44 0.49 -0.75 4.49 4.70 3hh2D1 SER 264 HB2 0.03 0.28 -0.40 -0.04 3.95 3.82 3hh2D1 SER 264 HB3 0.03 -0.22 -0.18 -0.04 3.93 3.53 3hh2D1 GLU 265 H 0.01 0.33 0.13 -0.55 8.60 8.52 3hh2D1 GLU 265 HA -0.01 0.12 0.51 -0.75 4.29 4.16 3hh2D1 GLU 265 HB2 0.00 0.13 0.11 -0.04 2.09 2.29 3hh2D1 GLU 265 HB3 -0.00 0.02 0.09 -0.04 1.99 2.06 3hh2D1 GLU 265 HG2 -0.02 -0.04 -0.08 -0.04 2.34 2.16 3hh2D1 GLU 265 HG3 -0.02 -0.02 0.04 -0.04 2.34 2.30 3hh2D1 CYS 266 H -0.00 0.16 -0.09 -0.55 8.50 8.02 3hh2D1 CYS 266 HA -0.04 0.13 0.76 -0.75 4.58 4.68 3hh2D1 CYS 266 HB2 -0.01 0.06 -0.04 -0.04 2.97 2.94 3hh2D1 CYS 266 HB3 -0.01 0.05 -0.03 -0.04 2.97 2.93 3hh2D1 ALA 267 H 0.00 0.05 -0.32 -0.55 8.40 7.59 3hh2D1 ALA 267 HA 0.01 0.16 0.57 -0.75 4.34 4.33 3hh2D1 ALA 267 HB3 0.09 0.03 0.00 -0.04 1.41 1.49 3hh2D1 MET 268 H -0.09 0.33 -0.41 -0.55 8.47 7.75 3hh2D1 MET 268 HA -1.10 0.05 0.40 -0.75 4.52 3.12 3hh2D1 MET 268 HB2 -0.23 0.02 0.05 -0.04 2.15 1.95 3hh2D1 MET 268 HB3 -0.16 0.32 0.12 -0.04 2.03 2.27 3hh2D1 MET 268 HG2 -0.31 -0.01 -0.26 -0.04 2.63 2.01 3hh2D1 MET 268 HG3 -0.49 -0.05 -0.07 -0.04 2.56 1.91 3hh2D1 MET 268 HE3 -0.07 0.05 -0.17 -0.04 2.10 1.87 3hh2D1 LYS 269 H -0.11 0.32 -0.10 -0.55 8.42 7.98 3hh2D1 LYS 269 HA -0.08 0.05 0.44 -0.75 4.32 3.97 3hh2D1 LYS 269 HB2 -0.04 0.02 0.12 -0.04 1.87 1.93 3hh2D1 LYS 269 HB3 -0.03 -0.03 0.02 -0.04 1.79 1.71 3hh2D1 LYS 269 HG2 -0.05 0.02 0.04 -0.04 1.46 1.42 3hh2D1 LYS 269 HG3 -0.05 0.25 0.07 -0.04 1.46 1.68 3hh2D1 LYS 269 HD2 -0.02 -0.03 -0.04 -0.04 1.69 1.56 3hh2D1 LYS 269 HD3 -0.02 -0.02 -0.00 -0.04 1.68 1.59 3hh2D1 LYS 269 HE2 -0.02 0.03 -0.01 -0.04 2.99 2.94 3hh2D1 LYS 269 HE3 -0.02 -0.02 -0.10 -0.04 2.99 2.80 3hh2D1 GLU 270 H -0.06 0.50 -0.38 -0.55 8.60 8.11 3hh2D1 GLU 270 HA -0.02 0.07 0.49 -0.75 4.29 4.08 3hh2D1 GLU 270 HB2 -0.01 0.05 0.20 -0.04 2.09 2.29 3hh2D1 GLU 270 HB3 0.00 -0.02 -0.03 -0.04 1.99 1.89 3hh2D1 GLU 270 HG2 -0.00 0.04 0.02 -0.04 2.34 2.36 3hh2D1 GLU 270 HG3 -0.01 0.10 0.01 -0.04 2.34 2.40 3hh2D1 ALA 271 H -0.11 0.46 -0.19 -0.55 8.40 8.01 3hh2D1 ALA 271 HA 0.02 0.04 0.47 -0.75 4.34 4.12 3hh2D1 ALA 271 HB3 -0.03 0.02 0.09 -0.04 1.41 1.45 3hh2D1 ALA 272 H -0.11 0.49 -0.15 -0.55 8.40 8.08 3hh2D1 ALA 272 HA 0.01 0.09 0.47 -0.75 4.34 4.16 3hh2D1 ALA 272 HB3 -0.04 -0.00 0.11 -0.04 1.41 1.44 3hh2D1 CYS 273 H -0.02 0.56 -0.16 -0.55 8.50 8.34 3hh2D1 CYS 273 HA 0.02 0.00 0.36 -0.75 4.58 4.21 3hh2D1 CYS 273 HB2 -0.00 0.10 0.20 -0.04 2.97 3.23 3hh2D1 CYS 273 HB3 0.01 0.03 0.02 -0.04 2.97 2.98 3hh2D1 SER 274 H 0.01 0.46 -0.20 -0.55 8.46 8.18 3hh2D1 SER 274 HA 0.02 0.06 0.49 -0.75 4.49 4.31 3hh2D1 SER 274 HB2 0.03 0.04 0.14 -0.04 3.95 4.12 3hh2D1 SER 274 HB3 0.02 -0.06 0.04 -0.04 3.93 3.89 3hh2D1 SER 275 H 0.04 0.45 -0.12 -0.55 8.46 8.28 3hh2D1 SER 275 HA 0.04 0.08 0.48 -0.75 4.49 4.34 3hh2D1 SER 275 HB2 0.06 -0.06 0.07 -0.04 3.95 3.99 3hh2D1 SER 275 HB3 0.05 -0.02 0.09 -0.04 3.93 4.01 3hh2D1 GLY 276 H 0.05 0.41 -0.20 -0.55 8.43 8.14 3hh2D1 GLY 276 HA2 0.07 0.15 0.37 -0.51 4.01 4.09 3hh2D1 GLY 276 HA3 0.08 0.04 0.63 -0.51 4.01 4.25 3hh2D1 VAL 277 H 0.10 0.26 -0.04 -0.55 8.24 8.01 3hh2D1 VAL 277 HA 0.27 0.14 1.08 -0.75 4.13 4.87 3hh2D1 VAL 277 HB 0.13 -0.05 0.05 -0.04 2.12 2.20 3hh2D1 VAL 277 HG13 0.27 0.03 -0.10 -0.04 0.97 1.12 3hh2D1 VAL 277 HG23 0.27 0.03 -0.18 -0.04 0.95 1.03 3hh2D1 LEU 278 H 0.12 0.39 -0.01 -0.55 8.37 8.32 3hh2D1 LEU 278 HA 0.03 0.01 0.38 -0.75 4.35 4.01 3hh2D1 LEU 278 HB2 -0.01 0.03 -0.29 -0.04 1.64 1.33 3hh2D1 LEU 278 HB3 -0.01 -0.05 -0.09 -0.04 1.64 1.46 3hh2D1 LEU 278 HG -0.01 -0.00 -0.36 -0.04 1.64 1.23 3hh2D1 LEU 278 HD13 -0.01 0.00 -0.06 -0.04 0.93 0.82 3hh2D1 LEU 278 HD23 -0.06 -0.01 -0.11 -0.04 0.89 0.67 3hh2D1 LEU 279 H -0.01 0.21 0.20 -0.55 8.37 8.23 3hh2D1 LEU 279 HA 0.02 0.11 0.84 -0.75 4.35 4.57 3hh2D1 LEU 279 HB2 -0.08 0.01 0.03 -0.04 1.64 1.56 3hh2D1 LEU 279 HB3 -0.07 -0.09 -0.03 -0.04 1.64 1.41 3hh2D1 LEU 279 HG -0.01 0.22 -0.17 -0.04 1.64 1.65 3hh2D1 LEU 279 HD13 -0.13 0.01 -0.04 -0.04 0.93 0.72 3hh2D1 LEU 279 HD23 0.06 0.03 -0.06 -0.04 0.89 0.87 3hh2D1 GLU 280 H -0.00 0.10 0.20 -0.55 8.60 8.35 3hh2D1 GLU 280 HA -0.02 0.20 0.83 -0.75 4.29 4.54 3hh2D1 GLU 280 HB2 -0.00 0.01 -0.07 -0.04 2.09 1.99 3hh2D1 GLU 280 HB3 -0.01 0.09 0.05 -0.04 1.99 2.08 3hh2D1 GLU 280 HG2 -0.01 -0.13 -0.41 -0.04 2.34 1.75 3hh2D1 GLU 280 HG3 -0.01 0.06 -0.11 -0.04 2.34 2.24 3hh2D1 VAL 281 H -0.01 0.17 0.10 -0.55 8.24 7.94 3hh2D1 VAL 281 HA -0.02 0.05 0.56 -0.75 4.13 3.97 3hh2D1 VAL 281 HB -0.00 0.03 0.07 -0.04 2.12 2.18 3hh2D1 VAL 281 HG13 -0.00 0.02 -0.32 -0.04 0.97 0.63 3hh2D1 VAL 281 HG23 -0.01 -0.01 -0.04 -0.04 0.95 0.85 3hh2D1 LYS 282 H -0.08 0.76 0.41 -0.55 8.42 8.96 3hh2D1 LYS 282 HA -0.00 0.09 0.73 -0.75 4.32 4.38 3hh2D1 LYS 282 HB2 -0.19 0.11 0.03 -0.04 1.87 1.78 3hh2D1 LYS 282 HB3 -0.01 -0.01 -0.05 -0.04 1.79 1.68 3hh2D1 LYS 282 HG2 -0.00 -0.05 -0.13 -0.04 1.46 1.23 3hh2D1 LYS 282 HG3 -0.02 0.09 -0.42 -0.04 1.46 1.07 3hh2D1 LYS 282 HD2 0.03 -0.00 -0.01 -0.04 1.69 1.66 3hh2D1 LYS 282 HD3 0.02 -0.00 0.00 -0.04 1.68 1.66 3hh2D1 LYS 282 HE2 -0.00 -0.00 -0.04 -0.04 2.99 2.90 3hh2D1 LYS 282 HE3 0.05 0.02 -0.06 -0.04 2.99 2.96 3hh2D1 HIS 283 H -0.26 0.33 0.22 -0.55 8.41 8.16 3hh2D1 HIS 283 HA 0.01 0.05 0.33 -0.75 4.63 4.27 3hh2D1 HIS 283 HB2 0.01 0.01 0.09 -0.04 3.26 3.34 3hh2D1 HIS 283 HB3 0.01 0.14 -0.00 -0.04 3.20 3.31 3hh2D1 HIS 283 HD2 0.01 -0.02 -0.17 -0.04 6.97 6.75 3hh2D1 HIS 283 HE1 0.01 0.46 -0.19 -0.04 7.75 7.99 3hh2D1 SER 284 H 0.13 0.12 0.12 -0.55 8.46 8.29 3hh2D1 SER 284 HA 0.07 0.00 0.62 -0.75 4.49 4.42 3hh2D1 SER 284 HB2 0.06 -0.00 0.10 -0.04 3.95 4.07 3hh2D1 SER 284 HB3 0.05 0.07 0.05 -0.04 3.93 4.07 3hh2D1 GLY 285 H 0.07 0.55 0.26 -0.55 8.43 8.76 3hh2D1 GLY 285 HA2 0.06 -0.06 0.28 -0.51 4.01 3.79 3hh2D1 GLY 285 HA3 0.10 0.16 0.66 -0.51 4.01 4.42 3hh2D1 SER 286 H 0.05 0.04 0.01 -0.55 8.46 8.02 3hh2D1 SER 286 HA 0.03 -0.07 0.10 -0.75 4.49 3.79 3hh2D1 SER 286 HB2 0.04 0.07 -0.02 -0.04 3.95 3.99 3hh2D1 SER 286 HB3 0.02 -0.05 -0.00 -0.04 3.93 3.86 3hh2D1 CYS 287 H 0.02 -0.03 -0.03 -0.55 8.50 7.90 3hh2D1 CYS 287 HA 0.14 0.19 0.25 -0.75 4.58 4.41 3hh2D1 CYS 287 HB2 0.00 -0.04 0.00 -0.04 2.97 2.89 3hh2D1 CYS 287 HB3 0.03 0.08 -0.02 -0.04 2.97 3.02