============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 55.711 27.141 16.625 -99.200 -91.000 TYR 15 0.840 56.169 26.898 10.387 -99.200 -91.000 HIS 18 0.900 66.260 30.175 5.868 -99.200 -91.000 TYR 49 0.840 58.588 34.186 -4.245 -99.200 -91.000 HIS 54 0.900 44.424 31.246 9.200 -99.200 -91.000 HIS 55 0.900 40.137 36.224 7.578 -99.200 -91.000 HIS 56 0.900 41.222 33.805 11.659 -99.200 -91.000 TYR 57 0.840 46.771 42.261 13.183 -99.200 -91.000 HIS 59 0.900 47.805 32.198 11.263 -99.200 -91.000 TYR 70 0.840 63.130 42.218 4.310 -99.200 -91.000 TRP 97 1.040 53.925 30.663 -6.667 -99.200 -91.000 TRP6 97 1.020 55.367 30.725 -4.772 -99.200 -91.000 PHE 99 1.000 60.799 28.983 -1.597 -99.200 -91.000 HIS 102 0.900 63.268 23.271 -5.082 -99.200 -91.000 HIS 105 0.900 51.801 20.008 -6.489 -99.200 -91.000 HIS 112 0.900 40.826 29.017 12.307 -99.200 -91.000 HIS 116 0.900 43.747 27.467 6.816 -99.200 -91.000 TYR 120 0.840 52.305 17.475 -0.660 -99.200 -91.000 PHE 121 1.000 57.073 24.601 -0.078 -99.200 -91.000 PHE 128 1.000 55.398 25.269 5.477 -99.200 -91.000 PHE 134 1.000 45.961 24.830 15.326 -99.200 -91.000 PHE 142 1.000 37.228 31.118 15.712 -99.200 -91.000 TYR 166 0.840 57.621 22.099 9.255 -99.200 -91.000 HIS 169 0.900 48.019 30.039 16.617 -99.200 -91.000 TYR 171 0.840 46.542 27.003 19.515 -99.200 -91.000 PHE 178 1.000 38.747 17.481 23.979 -99.200 -91.000 TYR 192 0.840 52.981 13.885 19.767 -99.200 -91.000 HIS 195 0.900 59.718 13.704 23.005 -99.200 -91.000 PHE 220 1.000 39.160 18.068 16.979 -99.200 -91.000 PHE 254 1.000 39.605 19.525 28.600 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2q42A12 MET 1 HA -0.02 0.09 0.34 -0.75 4.52 4.17 2q42A12 MET 1 HB2 -0.14 -0.09 -0.03 -0.04 2.15 1.84 2q42A12 MET 1 HB3 -0.18 -0.04 -0.00 -0.04 2.03 1.77 2q42A12 MET 1 HG2 -0.21 0.03 -0.55 -0.04 2.63 1.86 2q42A12 MET 1 HG3 -0.03 0.07 -0.40 -0.04 2.56 2.16 2q42A12 MET 1 HE3 -0.89 -0.01 -0.15 -0.04 2.10 1.01 2q42A12 GLN 2 H 0.03 0.36 0.19 -0.55 8.47 8.51 2q42A12 GLN 2 HA -0.01 0.11 0.68 -0.75 4.36 4.37 2q42A12 GLN 2 HB2 0.01 -0.02 0.12 -0.04 2.15 2.22 2q42A12 GLN 2 HB3 -0.01 0.03 0.00 -0.04 2.02 2.00 2q42A12 GLN 2 HG2 -0.02 0.02 -0.03 -0.04 2.40 2.33 2q42A12 GLN 2 HG3 -0.01 -0.01 0.01 -0.04 2.39 2.34 2q42A12 GLN 2 HE21 -0.05 -0.00 -0.01 -0.04 6.97 6.87 2q42A12 GLN 2 HE22 -0.03 -0.02 -0.02 -0.04 7.69 7.59 2q42A12 ILE 3 H -0.03 0.21 0.17 -0.55 8.25 8.05 2q42A12 ILE 3 HA -0.08 0.15 0.79 -0.75 4.18 4.28 2q42A12 ILE 3 HB -0.27 0.00 0.12 -0.04 1.89 1.71 2q42A12 ILE 3 HG12 -0.24 -0.06 -0.17 -0.04 1.49 0.98 2q42A12 ILE 3 HG13 -0.19 0.11 -0.17 -0.04 1.21 0.92 2q42A12 ILE 3 HG23 -0.59 -0.03 -0.23 -0.04 0.93 0.04 2q42A12 ILE 3 HD13 -0.44 -0.01 -0.09 -0.04 0.88 0.30 2q42A12 GLU 4 H 0.08 0.72 0.28 -0.55 8.60 9.13 2q42A12 GLU 4 HA 0.09 0.16 0.96 -0.75 4.29 4.76 2q42A12 GLU 4 HB2 0.21 0.00 -0.03 -0.04 2.09 2.23 2q42A12 GLU 4 HB3 0.21 -0.04 0.16 -0.04 1.99 2.27 2q42A12 GLU 4 HG2 0.08 0.13 -0.30 -0.04 2.34 2.21 2q42A12 GLU 4 HG3 0.07 -0.01 0.01 -0.04 2.34 2.38 2q42A12 LEU 5 H 0.11 0.17 0.14 -0.55 8.37 8.24 2q42A12 LEU 5 HA 0.14 0.08 0.50 -0.75 4.35 4.31 2q42A12 LEU 5 HB2 0.01 0.01 0.10 -0.04 1.64 1.72 2q42A12 LEU 5 HB3 -0.09 -0.00 -0.14 -0.04 1.64 1.37 2q42A12 LEU 5 HG 0.28 -0.02 -0.08 -0.04 1.64 1.77 2q42A12 LEU 5 HD13 0.31 -0.01 -0.11 -0.04 0.93 1.07 2q42A12 LEU 5 HD23 -0.51 0.00 -0.05 -0.04 0.89 0.29 2q42A12 VAL 6 H -0.09 0.39 0.04 -0.55 8.24 8.03 2q42A12 VAL 6 HA 0.03 0.21 0.87 -0.75 4.13 4.49 2q42A12 VAL 6 HB -0.06 0.04 0.04 -0.04 2.12 2.10 2q42A12 VAL 6 HG13 -0.02 -0.01 -0.23 -0.04 0.97 0.67 2q42A12 VAL 6 HG23 0.00 0.02 -0.28 -0.04 0.95 0.65 2q42A12 PRO 7 HA -0.01 0.27 0.56 -0.51 4.44 4.75 2q42A12 PRO 7 HB2 0.02 -0.02 -0.02 -0.04 2.28 2.21 2q42A12 PRO 7 HB3 0.03 0.05 0.04 -0.04 2.02 2.10 2q42A12 PRO 7 HG2 0.08 0.05 0.05 -0.04 2.03 2.17 2q42A12 PRO 7 HG3 0.24 0.03 0.01 -0.04 2.03 2.26 2q42A12 PRO 7 HD2 0.05 0.08 0.17 -0.04 3.68 3.93 2q42A12 PRO 7 HD3 0.09 0.22 -0.06 -0.04 3.65 3.85 2q42A12 CYS 8 H -0.17 0.32 0.19 -0.55 8.50 8.30 2q42A12 CYS 8 HA -0.07 0.18 0.75 -0.75 4.58 4.69 2q42A12 CYS 8 HB2 -0.17 -0.07 0.04 -0.04 2.97 2.73 2q42A12 CYS 8 HB3 -0.11 -0.11 0.07 -0.04 2.97 2.77 2q42A12 LEU 9 H -0.06 0.11 0.10 -0.55 8.37 7.97 2q42A12 LEU 9 HA -0.03 0.08 0.31 -0.75 4.35 3.95 2q42A12 LEU 9 HB2 -0.06 0.00 0.07 -0.04 1.64 1.61 2q42A12 LEU 9 HB3 -0.02 -0.03 0.23 -0.04 1.64 1.78 2q42A12 LEU 9 HG -0.11 -0.09 -0.13 -0.04 1.64 1.27 2q42A12 LEU 9 HD13 -0.09 0.03 0.03 -0.04 0.93 0.86 2q42A12 LEU 9 HD23 -0.05 0.03 0.01 -0.04 0.89 0.85 2q42A12 LYS 10 H -0.00 0.05 0.20 -0.55 8.42 8.11 2q42A12 LYS 10 HA -0.01 0.13 0.47 -0.75 4.32 4.16 2q42A12 LYS 10 HB2 0.04 -0.06 0.13 -0.04 1.87 1.94 2q42A12 LYS 10 HB3 0.02 0.07 0.10 -0.04 1.79 1.94 2q42A12 LYS 10 HG2 0.02 -0.11 0.13 -0.04 1.46 1.46 2q42A12 LYS 10 HG3 0.03 0.02 0.06 -0.04 1.46 1.53 2q42A12 LYS 10 HD2 0.00 0.03 -0.01 -0.04 1.69 1.68 2q42A12 LYS 10 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 2q42A12 LYS 10 HE2 0.01 -0.01 0.03 -0.04 2.99 2.98 2q42A12 LYS 10 HE3 0.01 0.04 0.05 -0.04 2.99 3.05 2q42A12 ASP 11 H -0.06 -0.09 0.01 -0.55 8.40 7.71 2q42A12 ASP 11 HA -0.18 0.20 0.53 -0.75 4.63 4.42 2q42A12 ASP 11 HB2 -0.15 -0.12 0.28 -0.04 2.71 2.68 2q42A12 ASP 11 HB3 -0.03 0.32 -0.10 -0.04 2.70 2.84 2q42A12 ASN 12 H -0.23 0.41 0.25 -0.55 8.53 8.42 2q42A12 ASN 12 HA -0.65 0.28 0.83 -0.75 4.76 4.47 2q42A12 ASN 12 HB2 -0.29 -0.06 0.14 -0.04 2.88 2.63 2q42A12 ASN 12 HB3 -0.39 -0.05 0.24 -0.04 2.79 2.55 2q42A12 ASN 12 HD21 -0.80 -0.18 -0.05 -0.04 7.03 5.96 2q42A12 ASN 12 HD22 -0.77 0.00 0.13 -0.04 7.74 7.06 2q42A12 TYR 13 H -0.30 0.21 0.17 -0.55 8.29 7.82 2q42A12 TYR 13 HA -0.27 0.29 0.74 -0.75 4.56 4.56 2q42A12 TYR 13 HB2 -0.11 0.12 -0.01 -0.04 3.06 3.02 2q42A12 TYR 13 HB3 -0.79 -0.04 0.05 -0.04 2.98 2.17 2q42A12 TYR 13 HD2 0.01 0.01 -0.23 -0.04 7.15 6.90 2q42A12 TYR 13 HE2 0.03 -0.07 -0.11 -0.04 6.85 6.66 2q42A12 ALA 14 H -0.21 0.05 0.08 -0.55 8.40 7.77 2q42A12 ALA 14 HA -0.16 0.22 0.52 -0.75 4.34 4.17 2q42A12 ALA 14 HB3 -0.13 -0.00 0.05 -0.04 1.41 1.28 2q42A12 TYR 15 H -0.01 0.08 0.33 -0.55 8.29 8.14 2q42A12 TYR 15 HA -0.01 0.35 1.04 -0.75 4.56 5.19 2q42A12 TYR 15 HB2 -0.26 -0.17 0.06 -0.04 3.06 2.65 2q42A12 TYR 15 HB3 -0.09 0.03 -0.11 -0.04 2.98 2.77 2q42A12 TYR 15 HD2 0.12 -0.07 -0.16 -0.04 7.15 7.00 2q42A12 TYR 15 HE2 0.27 -0.08 -0.20 -0.04 6.85 6.80 2q42A12 ILE 16 H 0.03 0.70 0.28 -0.55 8.25 8.72 2q42A12 ILE 16 HA -0.15 0.24 1.04 -0.75 4.18 4.56 2q42A12 ILE 16 HB -0.04 0.01 0.11 -0.04 1.89 1.93 2q42A12 ILE 16 HG12 -0.09 -0.03 -0.11 -0.04 1.49 1.22 2q42A12 ILE 16 HG13 -0.05 -0.01 -0.26 -0.04 1.21 0.86 2q42A12 ILE 16 HG23 -0.46 0.01 -0.18 -0.04 0.93 0.25 2q42A12 ILE 16 HD13 -0.02 0.00 -0.14 -0.04 0.88 0.69 2q42A12 LEU 17 H -0.23 0.65 0.25 -0.55 8.37 8.50 2q42A12 LEU 17 HA -0.22 0.21 0.76 -0.75 4.35 4.35 2q42A12 LEU 17 HB2 -0.41 -0.16 0.05 -0.04 1.64 1.08 2q42A12 LEU 17 HB3 -0.66 0.05 -0.14 -0.04 1.64 0.84 2q42A12 LEU 17 HG -0.35 0.04 -0.26 -0.04 1.64 1.02 2q42A12 LEU 17 HD13 -0.62 -0.02 -0.20 -0.04 0.93 0.05 2q42A12 LEU 17 HD23 -0.51 0.01 -0.35 -0.04 0.89 -0.01 2q42A12 HIS 18 H 0.06 0.69 0.22 -0.55 8.41 8.84 2q42A12 HIS 18 HA 0.09 0.28 0.99 -0.75 4.63 5.23 2q42A12 HIS 18 HB2 -0.00 -0.11 0.18 -0.04 3.26 3.28 2q42A12 HIS 18 HB3 0.01 0.08 -0.01 -0.04 3.20 3.24 2q42A12 HIS 18 HD2 -0.02 0.18 -0.07 -0.04 6.97 7.01 2q42A12 HIS 18 HE1 -0.01 0.03 -0.12 -0.04 7.75 7.61 2q42A12 ASP 19 H 0.18 0.83 0.15 -0.55 8.40 9.00 2q42A12 ASP 19 HA 0.11 0.12 0.62 -0.75 4.63 4.72 2q42A12 ASP 19 HB2 -0.05 0.06 -0.01 -0.04 2.71 2.67 2q42A12 ASP 19 HB3 -0.02 -0.16 0.08 -0.04 2.70 2.56 2q42A12 GLU 20 H 0.00 0.18 0.19 -0.55 8.60 8.42 2q42A12 GLU 20 HA 0.02 0.22 0.58 -0.75 4.29 4.35 2q42A12 GLU 20 HB2 0.00 0.09 0.10 -0.04 2.09 2.24 2q42A12 GLU 20 HB3 0.01 -0.07 0.16 -0.04 1.99 2.05 2q42A12 GLU 20 HG2 0.01 0.00 -0.24 -0.04 2.34 2.07 2q42A12 GLU 20 HG3 0.00 0.03 0.01 -0.04 2.34 2.34 2q42A12 ASP 21 H 0.04 0.06 0.09 -0.55 8.40 8.04 2q42A12 ASP 21 HA 0.02 0.13 0.43 -0.75 4.63 4.45 2q42A12 ASP 21 HB2 0.06 -0.05 0.14 -0.04 2.71 2.82 2q42A12 ASP 21 HB3 0.02 0.04 0.03 -0.04 2.70 2.75 2q42A12 THR 22 H 0.00 -0.04 -0.16 -0.55 8.28 7.53 2q42A12 THR 22 HA -0.01 0.34 0.96 -0.75 4.39 4.92 2q42A12 THR 22 HB -0.05 0.06 0.09 -0.04 4.32 4.39 2q42A12 THR 22 HG23 -0.03 0.00 -0.07 -0.04 1.22 1.08 2q42A12 GLY 23 H 0.01 0.10 -0.48 -0.55 8.43 7.51 2q42A12 GLY 23 HA2 0.04 0.19 0.39 -0.51 4.01 4.12 2q42A12 GLY 23 HA3 0.01 0.12 0.40 -0.51 4.01 4.02 2q42A12 THR 24 H -0.06 -0.20 -0.59 -0.55 8.28 6.88 2q42A12 THR 24 HA -0.08 0.11 0.47 -0.75 4.39 4.14 2q42A12 THR 24 HB -0.36 -0.10 -0.03 -0.04 4.32 3.78 2q42A12 THR 24 HG23 -0.20 -0.01 -0.13 -0.04 1.22 0.84 2q42A12 VAL 25 H -0.02 0.13 0.27 -0.55 8.24 8.07 2q42A12 VAL 25 HA 0.14 0.51 1.11 -0.75 4.13 5.13 2q42A12 VAL 25 HB -0.07 0.04 0.19 -0.04 2.12 2.23 2q42A12 VAL 25 HG13 -0.18 -0.01 -0.15 -0.04 0.97 0.59 2q42A12 VAL 25 HG23 0.01 0.06 -0.12 -0.04 0.95 0.85 2q42A12 GLY 26 H 0.08 0.50 0.35 -0.55 8.43 8.81 2q42A12 GLY 26 HA2 0.16 0.20 1.04 -0.51 4.01 4.90 2q42A12 GLY 26 HA3 0.29 -0.05 0.29 -0.51 4.01 4.02 2q42A12 VAL 27 H 0.02 0.54 0.37 -0.55 8.24 8.62 2q42A12 VAL 27 HA -0.10 0.42 1.11 -0.75 4.13 4.80 2q42A12 VAL 27 HB -0.07 0.03 -0.12 -0.04 2.12 1.91 2q42A12 VAL 27 HG13 -0.03 -0.01 -0.04 -0.04 0.97 0.85 2q42A12 VAL 27 HG23 -0.07 0.02 -0.23 -0.04 0.95 0.62 2q42A12 VAL 28 H -0.11 0.69 0.31 -0.55 8.24 8.58 2q42A12 VAL 28 HA -0.09 0.35 1.01 -0.75 4.13 4.64 2q42A12 VAL 28 HB -0.05 -0.08 0.21 -0.04 2.12 2.16 2q42A12 VAL 28 HG13 0.04 -0.02 -0.08 -0.04 0.97 0.87 2q42A12 VAL 28 HG23 -0.65 0.01 -0.11 -0.04 0.95 0.16 2q42A12 ASP 29 H -0.02 0.61 0.42 -0.55 8.40 8.86 2q42A12 ASP 29 HA -0.00 0.32 0.49 -0.75 4.63 4.68 2q42A12 ASP 29 HB2 0.08 0.11 -0.25 -0.04 2.71 2.61 2q42A12 ASP 29 HB3 0.05 -0.03 0.26 -0.04 2.70 2.94 2q42A12 PRO 30 HA -0.09 0.08 0.35 -0.51 4.44 4.27 2q42A12 PRO 30 HB2 -0.05 -0.06 -0.19 -0.04 2.28 1.94 2q42A12 PRO 30 HB3 -0.05 0.10 -0.12 -0.04 2.02 1.91 2q42A12 PRO 30 HG2 -0.06 -0.14 -0.12 -0.04 2.03 1.67 2q42A12 PRO 30 HG3 -0.03 0.07 -0.17 -0.04 2.03 1.86 2q42A12 PRO 30 HD2 -0.04 0.15 0.07 -0.04 3.68 3.82 2q42A12 PRO 30 HD3 -0.05 0.15 -0.31 -0.04 3.65 3.40 2q42A12 SER 31 H -0.16 0.29 0.27 -0.55 8.46 8.30 2q42A12 SER 31 HA -0.24 -0.06 0.06 -0.75 4.49 3.50 2q42A12 SER 31 HB2 -0.16 -0.09 0.05 -0.04 3.95 3.71 2q42A12 SER 31 HB3 -0.21 -0.09 0.05 -0.04 3.93 3.65 2q42A12 GLU 32 H -0.11 0.29 -0.17 -0.55 8.60 8.06 2q42A12 GLU 32 HA -0.10 0.15 0.41 -0.75 4.29 3.99 2q42A12 GLU 32 HB2 -0.05 -0.03 0.02 -0.04 2.09 1.99 2q42A12 GLU 32 HB3 -0.09 0.12 -0.12 -0.04 1.99 1.85 2q42A12 GLU 32 HG2 -0.09 -0.09 -0.07 -0.04 2.34 2.05 2q42A12 GLU 32 HG3 -0.06 0.02 -0.08 -0.04 2.34 2.18 2q42A12 ALA 33 H -0.03 0.20 0.08 -0.55 8.40 8.10 2q42A12 ALA 33 HA -0.00 0.13 0.44 -0.75 4.34 4.15 2q42A12 ALA 33 HB3 0.01 0.04 0.06 -0.04 1.41 1.47 2q42A12 GLU 34 H -0.01 0.07 -0.06 -0.55 8.60 8.05 2q42A12 GLU 34 HA 0.01 0.05 0.28 -0.75 4.29 3.88 2q42A12 GLU 34 HB2 -0.00 -0.00 0.10 -0.04 2.09 2.14 2q42A12 GLU 34 HB3 -0.01 0.02 0.07 -0.04 1.99 2.02 2q42A12 GLU 34 HG2 0.00 0.04 -0.26 -0.04 2.34 2.08 2q42A12 GLU 34 HG3 0.00 0.00 -0.01 -0.04 2.34 2.30 2q42A12 PRO 35 HA 0.00 0.08 0.40 -0.51 4.44 4.41 2q42A12 PRO 35 HB2 -0.03 0.03 -0.06 -0.04 2.28 2.18 2q42A12 PRO 35 HB3 -0.02 0.20 0.05 -0.04 2.02 2.21 2q42A12 PRO 35 HG2 -0.04 -0.03 0.04 -0.04 2.03 1.96 2q42A12 PRO 35 HG3 -0.02 0.06 0.03 -0.04 2.03 2.06 2q42A12 PRO 35 HD2 -0.03 0.26 -0.35 -0.04 3.68 3.51 2q42A12 PRO 35 HD3 -0.02 -0.02 -0.02 -0.04 3.65 3.54 2q42A12 ILE 36 H -0.01 0.27 -0.28 -0.55 8.25 7.68 2q42A12 ILE 36 HA -0.01 0.12 0.42 -0.75 4.18 3.96 2q42A12 ILE 36 HB 0.03 0.04 0.07 -0.04 1.89 1.99 2q42A12 ILE 36 HG12 -0.03 0.12 0.04 -0.04 1.49 1.58 2q42A12 ILE 36 HG13 -0.04 -0.07 -0.07 -0.04 1.21 0.99 2q42A12 ILE 36 HG23 -0.04 0.00 -0.16 -0.04 0.93 0.70 2q42A12 ILE 36 HD13 -0.05 -0.00 -0.20 -0.04 0.88 0.59 2q42A12 ILE 37 H 0.05 0.66 0.02 -0.55 8.25 8.44 2q42A12 ILE 37 HA 0.21 0.05 0.38 -0.75 4.18 4.06 2q42A12 ILE 37 HB 0.05 0.04 0.07 -0.04 1.89 2.01 2q42A12 ILE 37 HG12 0.14 0.04 -0.03 -0.04 1.49 1.60 2q42A12 ILE 37 HG13 0.12 0.03 -0.02 -0.04 1.21 1.29 2q42A12 ILE 37 HG23 0.05 -0.00 -0.15 -0.04 0.93 0.79 2q42A12 ILE 37 HD13 0.01 -0.04 -0.18 -0.04 0.88 0.63 2q42A12 ASP 38 H 0.03 0.66 -0.15 -0.55 8.40 8.40 2q42A12 ASP 38 HA 0.04 0.03 0.49 -0.75 4.63 4.43 2q42A12 ASP 38 HB2 0.02 0.06 0.09 -0.04 2.71 2.83 2q42A12 ASP 38 HB3 0.02 -0.01 -0.02 -0.04 2.70 2.65 2q42A12 SER 39 H 0.02 0.53 -0.19 -0.55 8.46 8.28 2q42A12 SER 39 HA 0.03 0.02 0.48 -0.75 4.49 4.26 2q42A12 SER 39 HB2 0.02 0.00 0.13 -0.04 3.95 4.06 2q42A12 SER 39 HB3 0.01 0.03 0.17 -0.04 3.93 4.10 2q42A12 LEU 40 H 0.03 0.37 -0.46 -0.55 8.37 7.76 2q42A12 LEU 40 HA 0.03 0.10 0.49 -0.75 4.35 4.21 2q42A12 LEU 40 HB2 0.03 0.10 0.08 -0.04 1.64 1.80 2q42A12 LEU 40 HB3 -0.05 0.14 -0.03 -0.04 1.64 1.65 2q42A12 LEU 40 HG -0.05 0.16 -0.07 -0.04 1.64 1.63 2q42A12 LEU 40 HD13 -0.36 -0.05 -0.20 -0.04 0.93 0.28 2q42A12 LEU 40 HD23 -0.09 -0.00 -0.22 -0.04 0.89 0.54 2q42A12 LYS 41 H 0.05 0.31 -0.09 -0.55 8.42 8.14 2q42A12 LYS 41 HA 0.05 0.05 0.55 -0.75 4.32 4.21 2q42A12 LYS 41 HB2 0.03 0.10 0.24 -0.04 1.87 2.20 2q42A12 LYS 41 HB3 0.03 -0.03 0.03 -0.04 1.79 1.78 2q42A12 LYS 41 HG2 0.07 0.31 0.11 -0.04 1.46 1.91 2q42A12 LYS 41 HG3 0.04 -0.08 0.01 -0.04 1.46 1.39 2q42A12 LYS 41 HD2 0.04 -0.03 0.03 -0.04 1.69 1.69 2q42A12 LYS 41 HD3 0.07 0.02 0.03 -0.04 1.68 1.76 2q42A12 LYS 41 HE2 0.08 0.02 -0.01 -0.04 2.99 3.05 2q42A12 LYS 41 HE3 0.03 -0.05 -0.01 -0.04 2.99 2.92 2q42A12 ARG 42 H 0.03 0.45 -0.08 -0.55 8.46 8.31 2q42A12 ARG 42 HA 0.02 0.01 0.29 -0.75 4.34 3.90 2q42A12 ARG 42 HB2 0.02 -0.01 0.12 -0.04 1.90 1.99 2q42A12 ARG 42 HB3 0.02 0.10 0.01 -0.04 1.80 1.89 2q42A12 ARG 42 HG2 0.01 -0.02 0.01 -0.04 1.67 1.62 2q42A12 ARG 42 HG3 0.01 0.03 0.00 -0.04 1.67 1.67 2q42A12 ARG 42 HD2 0.01 0.02 0.08 -0.04 3.22 3.29 2q42A12 ARG 42 HD3 0.01 -0.04 0.03 -0.04 3.22 3.18 2q42A12 SER 43 H 0.03 0.03 -1.00 -0.55 8.46 6.98 2q42A12 SER 43 HA 0.01 0.10 0.73 -0.75 4.49 4.58 2q42A12 SER 43 HB2 0.03 -0.04 0.01 -0.04 3.95 3.91 2q42A12 SER 43 HB3 0.04 -0.02 -0.03 -0.04 3.93 3.88 2q42A12 GLY 44 H 0.03 0.23 -0.25 -0.55 8.43 7.90 2q42A12 GLY 44 HA2 0.03 -0.07 0.46 -0.51 4.01 3.91 2q42A12 GLY 44 HA3 0.02 -0.05 0.39 -0.51 4.01 3.86 2q42A12 ARG 45 H 0.03 0.36 0.15 -0.55 8.46 8.44 2q42A12 ARG 45 HA 0.01 0.01 0.37 -0.75 4.34 3.98 2q42A12 ARG 45 HB2 -0.00 -0.01 0.12 -0.04 1.90 1.97 2q42A12 ARG 45 HB3 0.02 0.24 0.06 -0.04 1.80 2.08 2q42A12 ARG 45 HG2 0.03 -0.03 -0.45 -0.04 1.67 1.17 2q42A12 ARG 45 HG3 -0.02 -0.06 -0.29 -0.04 1.67 1.26 2q42A12 ARG 45 HD2 0.19 -0.08 -0.15 -0.04 3.22 3.13 2q42A12 ARG 45 HD3 0.10 0.03 -0.10 -0.04 3.22 3.22 2q42A12 ASN 46 H -0.03 0.16 0.14 -0.55 8.53 8.26 2q42A12 ASN 46 HA -0.12 0.13 0.78 -0.75 4.76 4.79 2q42A12 ASN 46 HB2 -0.01 -0.01 0.02 -0.04 2.88 2.83 2q42A12 ASN 46 HB3 0.06 0.11 0.06 -0.04 2.79 2.98 2q42A12 ASN 46 HD21 0.06 -0.02 -0.02 -0.04 7.03 7.00 2q42A12 ASN 46 HD22 0.05 0.03 0.00 -0.04 7.74 7.78 2q42A12 LEU 47 H -0.71 0.14 0.12 -0.55 8.37 7.37 2q42A12 LEU 47 HA -0.23 0.13 0.57 -0.75 4.35 4.06 2q42A12 LEU 47 HB2 -0.73 0.01 -0.06 -0.04 1.64 0.82 2q42A12 LEU 47 HB3 -0.38 -0.01 0.01 -0.04 1.64 1.22 2q42A12 LEU 47 HG -0.06 -0.02 -0.39 -0.04 1.64 1.12 2q42A12 LEU 47 HD13 -0.11 0.02 -0.20 -0.04 0.93 0.60 2q42A12 LEU 47 HD23 -0.01 -0.02 -0.23 -0.04 0.89 0.60 2q42A12 THR 48 H -0.09 0.59 0.36 -0.55 8.28 8.58 2q42A12 THR 48 HA -0.19 0.22 0.85 -0.75 4.39 4.52 2q42A12 THR 48 HB -0.36 0.02 0.18 -0.04 4.32 4.12 2q42A12 THR 48 HG23 -0.79 -0.02 -0.01 -0.04 1.22 0.36 2q42A12 TYR 49 H 0.08 0.38 0.42 -0.55 8.29 8.61 2q42A12 TYR 49 HA 0.07 0.28 1.13 -0.75 4.56 5.29 2q42A12 TYR 49 HB2 0.32 -0.09 0.02 -0.04 3.06 3.27 2q42A12 TYR 49 HB3 0.14 0.02 -0.07 -0.04 2.98 3.03 2q42A12 TYR 49 HD2 0.33 0.05 -0.04 -0.04 7.15 7.45 2q42A12 TYR 49 HE2 0.12 -0.05 -0.02 -0.04 6.85 6.86 2q42A12 ILE 50 H 0.12 0.72 0.33 -0.55 8.25 8.88 2q42A12 ILE 50 HA 0.01 0.23 0.97 -0.75 4.18 4.64 2q42A12 ILE 50 HB 0.02 -0.03 -0.01 -0.04 1.89 1.83 2q42A12 ILE 50 HG12 0.01 0.02 -0.15 -0.04 1.49 1.32 2q42A12 ILE 50 HG13 0.04 -0.06 -0.63 -0.04 1.21 0.52 2q42A12 ILE 50 HG23 -0.02 -0.01 -0.17 -0.04 0.93 0.69 2q42A12 ILE 50 HD13 0.04 -0.00 -0.28 -0.04 0.88 0.60 2q42A12 LEU 51 H -0.05 0.81 0.41 -0.55 8.37 8.99 2q42A12 LEU 51 HA -0.15 0.32 1.02 -0.75 4.35 4.79 2q42A12 LEU 51 HB2 -0.11 -0.06 0.01 -0.04 1.64 1.44 2q42A12 LEU 51 HB3 -0.13 0.01 -0.11 -0.04 1.64 1.36 2q42A12 LEU 51 HG -0.31 0.06 -0.26 -0.04 1.64 1.09 2q42A12 LEU 51 HD13 0.02 -0.01 -0.31 -0.04 0.93 0.59 2q42A12 LEU 51 HD23 -0.13 0.00 -0.18 -0.04 0.89 0.54 2q42A12 ASN 52 H -0.09 0.51 0.26 -0.55 8.53 8.66 2q42A12 ASN 52 HA -0.02 0.03 1.08 -0.75 4.76 5.09 2q42A12 ASN 52 HB2 -0.05 -0.03 0.02 -0.04 2.88 2.78 2q42A12 ASN 52 HB3 -0.04 0.08 -0.01 -0.04 2.79 2.77 2q42A12 ASN 52 HD21 -0.03 -0.03 -0.03 -0.04 7.03 6.90 2q42A12 ASN 52 HD22 -0.03 0.21 0.08 -0.04 7.74 7.97 2q42A12 THR 53 H 0.00 0.12 0.18 -0.55 8.28 8.04 2q42A12 THR 53 HA -0.06 0.19 0.53 -0.75 4.39 4.29 2q42A12 THR 53 HB -0.22 0.18 0.06 -0.04 4.32 4.31 2q42A12 THR 53 HG23 0.15 -0.01 -0.06 -0.04 1.22 1.26 2q42A12 HIS 54 H -0.15 0.23 0.05 -0.55 8.41 7.99 2q42A12 HIS 54 HA -0.14 0.18 0.34 -0.75 4.63 4.25 2q42A12 HIS 54 HB2 -0.14 -0.08 0.04 -0.04 3.26 3.05 2q42A12 HIS 54 HB3 -0.60 0.12 -0.16 -0.04 3.20 2.51 2q42A12 HIS 54 HD2 -0.69 0.01 -0.07 -0.04 6.97 6.16 2q42A12 HIS 54 HE1 -1.07 0.03 -0.07 -0.04 7.75 6.60 2q42A12 HIS 55 H 0.13 0.10 0.01 -0.55 8.41 8.12 2q42A12 HIS 55 HA -0.05 0.23 0.43 -0.75 4.63 4.48 2q42A12 HIS 55 HB2 0.01 0.32 0.04 -0.04 3.26 3.60 2q42A12 HIS 55 HB3 -0.02 -0.06 -0.03 -0.04 3.20 3.04 2q42A12 HIS 55 HD2 0.08 0.06 -0.13 -0.04 6.97 6.94 2q42A12 HIS 55 HE1 -0.01 -0.00 -0.02 -0.04 7.75 7.67 2q42A12 HIS 56 H -0.62 -0.04 -0.20 -0.55 8.41 7.00 2q42A12 HIS 56 HA -0.30 0.09 0.30 -0.75 4.63 3.97 2q42A12 HIS 56 HB2 -0.12 -0.03 -0.01 -0.04 3.26 3.06 2q42A12 HIS 56 HB3 0.11 -0.05 0.01 -0.04 3.20 3.22 2q42A12 HIS 56 HD2 -0.39 0.06 -0.01 -0.04 6.97 6.58 2q42A12 HIS 56 HE1 -0.37 0.08 -0.04 -0.04 7.75 7.38 2q42A12 TYR 57 H 0.20 0.18 0.20 -0.55 8.29 8.32 2q42A12 TYR 57 HA 0.01 0.16 0.42 -0.75 4.56 4.40 2q42A12 TYR 57 HB2 0.01 0.07 0.19 -0.04 3.06 3.28 2q42A12 TYR 57 HB3 0.00 -0.02 0.12 -0.04 2.98 3.04 2q42A12 TYR 57 HD2 0.00 0.01 0.02 -0.04 7.15 7.14 2q42A12 TYR 57 HE2 -0.00 0.03 0.06 -0.04 6.85 6.89 2q42A12 ASP 58 H 0.13 0.06 -0.24 -0.55 8.40 7.81 2q42A12 ASP 58 HA -0.21 0.18 0.64 -0.75 4.63 4.48 2q42A12 ASP 58 HB2 -0.08 0.01 0.15 -0.04 2.71 2.75 2q42A12 ASP 58 HB3 0.05 0.02 0.09 -0.04 2.70 2.82 2q42A12 HIS 59 H -0.01 0.49 -0.50 -0.55 8.41 7.84 2q42A12 HIS 59 HA -0.12 0.26 0.70 -0.75 4.63 4.72 2q42A12 HIS 59 HB2 -0.36 0.17 -0.08 -0.04 3.26 2.96 2q42A12 HIS 59 HB3 -0.18 -0.14 0.11 -0.04 3.20 2.95 2q42A12 HIS 59 HD2 0.03 -0.10 -0.27 -0.04 6.97 6.58 2q42A12 HIS 59 HE1 0.14 -0.05 -0.07 -0.04 7.75 7.73 2q42A12 THR 60 H -0.10 0.14 0.00 -0.55 8.28 7.76 2q42A12 THR 60 HA -0.05 0.19 0.87 -0.75 4.39 4.64 2q42A12 THR 60 HB 0.01 -0.04 0.15 -0.04 4.32 4.40 2q42A12 THR 60 HG23 -0.01 -0.01 -0.12 -0.04 1.22 1.03 2q42A12 GLY 61 H -0.31 0.25 0.14 -0.55 8.43 7.96 2q42A12 GLY 61 HA2 -0.35 -0.03 0.43 -0.51 4.01 3.54 2q42A12 GLY 61 HA3 -0.68 0.26 0.47 -0.51 4.01 3.55 2q42A12 GLY 62 H -0.13 0.73 -0.44 -0.55 8.43 8.04 2q42A12 GLY 62 HA2 -0.05 -0.01 0.52 -0.51 4.01 3.96 2q42A12 GLY 62 HA3 -0.06 -0.01 -0.15 -0.51 4.01 3.28 2q42A12 ASN 63 H -0.04 0.50 -0.37 -0.55 8.53 8.08 2q42A12 ASN 63 HA -0.00 0.02 0.16 -0.75 4.76 4.18 2q42A12 ASN 63 HB2 0.00 0.11 0.15 -0.04 2.88 3.10 2q42A12 ASN 63 HB3 0.01 0.14 -0.11 -0.04 2.79 2.78 2q42A12 ASN 63 HD21 -0.02 -0.11 -0.09 -0.04 7.03 6.77 2q42A12 ASN 63 HD22 -0.00 0.50 -0.04 -0.04 7.74 8.16 2q42A12 LEU 64 H 0.02 0.21 -0.10 -0.55 8.37 7.94 2q42A12 LEU 64 HA 0.02 0.10 0.24 -0.75 4.35 3.95 2q42A12 LEU 64 HB2 0.02 0.00 0.05 -0.04 1.64 1.67 2q42A12 LEU 64 HB3 0.02 0.04 0.00 -0.04 1.64 1.66 2q42A12 LEU 64 HG 0.03 0.00 -0.03 -0.04 1.64 1.61 2q42A12 LEU 64 HD13 0.03 0.01 -0.01 -0.04 0.93 0.92 2q42A12 LEU 64 HD23 0.02 -0.01 -0.14 -0.04 0.89 0.72 2q42A12 GLU 65 H 0.01 0.11 -0.33 -0.55 8.60 7.84 2q42A12 GLU 65 HA -0.00 0.09 0.39 -0.75 4.29 4.01 2q42A12 GLU 65 HB2 0.00 -0.00 0.07 -0.04 2.09 2.12 2q42A12 GLU 65 HB3 0.00 0.01 0.07 -0.04 1.99 2.04 2q42A12 GLU 65 HG2 -0.02 0.03 -0.14 -0.04 2.34 2.17 2q42A12 GLU 65 HG3 -0.02 0.03 0.03 -0.04 2.34 2.34 2q42A12 LEU 66 H 0.03 0.56 -0.08 -0.55 8.37 8.33 2q42A12 LEU 66 HA 0.10 0.02 0.42 -0.75 4.35 4.13 2q42A12 LEU 66 HB2 0.06 0.11 0.01 -0.04 1.64 1.78 2q42A12 LEU 66 HB3 0.16 -0.02 -0.10 -0.04 1.64 1.63 2q42A12 LEU 66 HG 0.05 -0.03 0.02 -0.04 1.64 1.64 2q42A12 LEU 66 HD13 0.02 -0.01 -0.16 -0.04 0.93 0.74 2q42A12 LEU 66 HD23 0.19 0.01 -0.05 -0.04 0.89 0.99 2q42A12 LYS 67 H 0.04 0.75 -0.13 -0.55 8.42 8.53 2q42A12 LYS 67 HA 0.06 -0.02 0.32 -0.75 4.32 3.93 2q42A12 LYS 67 HB2 0.03 -0.01 -0.03 -0.04 1.87 1.81 2q42A12 LYS 67 HB3 0.02 0.02 0.10 -0.04 1.79 1.88 2q42A12 LYS 67 HG2 0.02 -0.03 -0.24 -0.04 1.46 1.18 2q42A12 LYS 67 HG3 0.03 0.25 -0.01 -0.04 1.46 1.69 2q42A12 LYS 67 HD2 0.02 0.02 0.00 -0.04 1.69 1.69 2q42A12 LYS 67 HD3 0.02 -0.10 -0.02 -0.04 1.68 1.54 2q42A12 LYS 67 HE2 0.02 -0.04 -0.03 -0.04 2.99 2.89 2q42A12 LYS 67 HE3 0.02 -0.02 0.04 -0.04 2.99 2.99 2q42A12 ASP 68 H 0.01 0.52 -0.08 -0.55 8.40 8.30 2q42A12 ASP 68 HA -0.00 0.06 0.42 -0.75 4.63 4.36 2q42A12 ASP 68 HB2 -0.00 -0.02 0.12 -0.04 2.71 2.77 2q42A12 ASP 68 HB3 -0.02 0.03 0.11 -0.04 2.70 2.78 2q42A12 ARG 69 H -0.05 0.42 -0.24 -0.55 8.46 8.04 2q42A12 ARG 69 HA -0.15 0.02 0.45 -0.75 4.34 3.91 2q42A12 ARG 69 HB2 -0.17 -0.05 0.11 -0.04 1.90 1.75 2q42A12 ARG 69 HB3 -0.23 0.02 0.19 -0.04 1.80 1.74 2q42A12 ARG 69 HG2 -1.26 0.04 -0.33 -0.04 1.67 0.08 2q42A12 ARG 69 HG3 -0.40 -0.02 0.02 -0.04 1.67 1.23 2q42A12 ARG 69 HD2 -0.20 -0.05 -0.04 -0.04 3.22 2.89 2q42A12 ARG 69 HD3 -0.27 -0.05 -0.06 -0.04 3.22 2.80 2q42A12 TYR 70 H 0.02 0.50 -0.04 -0.55 8.29 8.22 2q42A12 TYR 70 HA -0.01 0.18 0.92 -0.75 4.56 4.89 2q42A12 TYR 70 HB2 -0.01 0.05 0.07 -0.04 3.06 3.13 2q42A12 TYR 70 HB3 -0.02 0.14 0.13 -0.04 2.98 3.19 2q42A12 TYR 70 HD2 -0.01 0.06 0.06 -0.04 7.15 7.23 2q42A12 TYR 70 HE2 -0.01 -0.00 -0.03 -0.04 6.85 6.77 2q42A12 GLY 71 H 0.05 0.37 -0.08 -0.55 8.43 8.22 2q42A12 GLY 71 HA2 0.03 0.02 0.35 -0.51 4.01 3.90 2q42A12 GLY 71 HA3 0.03 0.01 0.58 -0.51 4.01 4.12 2q42A12 ALA 72 H 0.10 0.01 -0.08 -0.55 8.40 7.88 2q42A12 ALA 72 HA -0.00 0.26 0.43 -0.75 4.34 4.28 2q42A12 ALA 72 HB3 0.05 -0.05 -0.39 -0.04 1.41 0.98 2q42A12 LYS 73 H 0.07 0.56 0.35 -0.55 8.42 8.85 2q42A12 LYS 73 HA 0.07 0.18 0.82 -0.75 4.32 4.64 2q42A12 LYS 73 HB2 0.38 -0.04 0.17 -0.04 1.87 2.34 2q42A12 LYS 73 HB3 0.15 -0.05 -0.03 -0.04 1.79 1.82 2q42A12 LYS 73 HG2 0.08 0.12 0.02 -0.04 1.46 1.64 2q42A12 LYS 73 HG3 0.20 -0.06 0.01 -0.04 1.46 1.57 2q42A12 LYS 73 HD2 0.08 -0.06 0.00 -0.04 1.69 1.67 2q42A12 LYS 73 HD3 0.06 0.11 -0.04 -0.04 1.68 1.77 2q42A12 LYS 73 HE2 0.04 0.11 -0.02 -0.04 2.99 3.08 2q42A12 LYS 73 HE3 0.07 -0.06 -0.00 -0.04 2.99 2.96 2q42A12 VAL 74 H 0.03 0.25 0.15 -0.55 8.24 8.12 2q42A12 VAL 74 HA -0.01 0.20 0.78 -0.75 4.13 4.35 2q42A12 VAL 74 HB -0.01 0.08 -0.07 -0.04 2.12 2.08 2q42A12 VAL 74 HG13 -0.03 0.02 -0.35 -0.04 0.97 0.57 2q42A12 VAL 74 HG23 0.01 0.01 -0.16 -0.04 0.95 0.77 2q42A12 ILE 75 H -0.14 1.00 0.52 -0.55 8.25 9.09 2q42A12 ILE 75 HA -0.27 0.19 0.80 -0.75 4.18 4.14 2q42A12 ILE 75 HB -0.47 -0.08 0.11 -0.04 1.89 1.41 2q42A12 ILE 75 HG12 -0.31 0.13 -0.02 -0.04 1.49 1.24 2q42A12 ILE 75 HG13 -1.39 -0.04 -0.10 -0.04 1.21 -0.36 2q42A12 ILE 75 HG23 -0.89 -0.01 -0.10 -0.04 0.93 -0.11 2q42A12 ILE 75 HD13 -0.44 -0.00 -0.20 -0.04 0.88 0.20 2q42A12 GLY 76 H -0.18 0.55 0.31 -0.55 8.43 8.57 2q42A12 GLY 76 HA2 -0.11 0.13 0.54 -0.51 4.01 4.06 2q42A12 GLY 76 HA3 -0.08 0.05 0.27 -0.51 4.01 3.75 2q42A12 SER 77 H -0.04 0.15 0.05 -0.55 8.46 8.08 2q42A12 SER 77 HA -0.03 0.24 0.66 -0.75 4.49 4.60 2q42A12 SER 77 HB2 -0.01 0.13 0.08 -0.04 3.95 4.11 2q42A12 SER 77 HB3 -0.01 -0.07 0.08 -0.04 3.93 3.89 2q42A12 ALA 78 H -0.02 0.65 0.24 -0.55 8.40 8.73 2q42A12 ALA 78 HA -0.02 0.09 0.34 -0.75 4.34 4.00 2q42A12 ALA 78 HB3 -0.01 -0.00 -0.06 -0.04 1.41 1.30 2q42A12 MET 79 H -0.00 0.08 -0.16 -0.55 8.47 7.85 2q42A12 MET 79 HA -0.00 0.11 0.35 -0.75 4.52 4.22 2q42A12 MET 79 HB2 0.01 -0.02 0.05 -0.04 2.15 2.14 2q42A12 MET 79 HB3 -0.00 0.06 -0.05 -0.04 2.03 1.99 2q42A12 MET 79 HG2 0.00 0.05 0.02 -0.04 2.63 2.67 2q42A12 MET 79 HG3 0.01 -0.03 0.06 -0.04 2.56 2.56 2q42A12 MET 79 HE3 0.01 0.02 -0.07 -0.04 2.10 2.02 2q42A12 ASP 80 H -0.01 0.18 -0.44 -0.55 8.40 7.58 2q42A12 ASP 80 HA -0.03 0.18 0.68 -0.75 4.63 4.70 2q42A12 ASP 80 HB2 0.00 0.03 -0.01 -0.04 2.71 2.69 2q42A12 ASP 80 HB3 0.01 -0.06 0.06 -0.04 2.70 2.67 2q42A12 LYS 81 H -0.01 0.43 -0.54 -0.55 8.42 7.75 2q42A12 LYS 81 HA -0.02 0.07 0.28 -0.75 4.32 3.90 2q42A12 LYS 81 HB2 -0.01 0.20 0.13 -0.04 1.87 2.15 2q42A12 LYS 81 HB3 -0.01 -0.06 0.07 -0.04 1.79 1.75 2q42A12 LYS 81 HG2 -0.01 -0.01 -0.04 -0.04 1.46 1.36 2q42A12 LYS 81 HG3 -0.01 0.01 -0.19 -0.04 1.46 1.23 2q42A12 LYS 81 HD2 -0.02 0.00 -0.06 -0.04 1.69 1.58 2q42A12 LYS 81 HD3 -0.01 -0.07 -0.07 -0.04 1.68 1.48 2q42A12 LYS 81 HE2 -0.01 -0.01 -0.08 -0.04 2.99 2.85 2q42A12 LYS 81 HE3 -0.01 0.04 -0.11 -0.04 2.99 2.87 2q42A12 ASP 82 H -0.02 0.12 -0.18 -0.55 8.40 7.78 2q42A12 ASP 82 HA -0.00 0.25 0.66 -0.75 4.63 4.78 2q42A12 ASP 82 HB2 -0.01 -0.01 0.00 -0.04 2.71 2.65 2q42A12 ASP 82 HB3 -0.01 0.02 0.12 -0.04 2.70 2.79 2q42A12 ARG 83 H -0.01 0.27 -0.64 -0.55 8.46 7.52 2q42A12 ARG 83 HA 0.01 0.20 0.79 -0.75 4.34 4.58 2q42A12 ARG 83 HB2 -0.03 0.00 -0.00 -0.04 1.90 1.83 2q42A12 ARG 83 HB3 -0.05 -0.06 0.06 -0.04 1.80 1.70 2q42A12 ARG 83 HG2 -0.08 0.08 -0.17 -0.04 1.67 1.46 2q42A12 ARG 83 HG3 -0.08 -0.04 -0.08 -0.04 1.67 1.43 2q42A12 ARG 83 HD2 -0.49 -0.02 -0.01 -0.04 3.22 2.66 2q42A12 ARG 83 HD3 -0.21 0.03 -0.03 -0.04 3.22 2.98 2q42A12 ILE 84 H 0.01 0.32 -0.17 -0.55 8.25 7.86 2q42A12 ILE 84 HA 0.04 0.13 0.66 -0.75 4.18 4.25 2q42A12 ILE 84 HB -0.01 0.04 0.04 -0.04 1.89 1.93 2q42A12 ILE 84 HG12 0.00 0.31 -0.07 -0.04 1.49 1.70 2q42A12 ILE 84 HG13 -0.02 -0.16 -0.10 -0.04 1.21 0.89 2q42A12 ILE 84 HG23 -0.02 0.01 -0.26 -0.04 0.93 0.61 2q42A12 ILE 84 HD13 0.03 -0.00 -0.34 -0.04 0.88 0.53 2q42A12 PRO 85 HA 0.02 0.02 0.39 -0.51 4.44 4.36 2q42A12 PRO 85 HB2 0.03 -0.07 0.06 -0.04 2.28 2.26 2q42A12 PRO 85 HB3 0.04 0.02 0.06 -0.04 2.02 2.10 2q42A12 PRO 85 HG2 0.07 0.05 0.06 -0.04 2.03 2.17 2q42A12 PRO 85 HG3 0.07 0.07 0.02 -0.04 2.03 2.15 2q42A12 PRO 85 HD2 0.03 0.03 0.18 -0.04 3.68 3.87 2q42A12 PRO 85 HD3 0.07 0.42 0.29 -0.04 3.65 4.39 2q42A12 GLY 86 H 0.01 0.14 0.15 -0.55 8.43 8.19 2q42A12 GLY 86 HA2 0.01 0.04 0.28 -0.51 4.01 3.83 2q42A12 GLY 86 HA3 0.01 0.01 0.28 -0.51 4.01 3.80 2q42A12 ILE 87 H -0.00 0.34 -0.28 -0.55 8.25 7.76 2q42A12 ILE 87 HA -0.02 -0.03 0.21 -0.75 4.18 3.59 2q42A12 ILE 87 HB -0.02 0.02 -0.06 -0.04 1.89 1.78 2q42A12 ILE 87 HG12 -0.04 -0.06 -0.41 -0.04 1.49 0.95 2q42A12 ILE 87 HG13 -0.06 0.04 -0.19 -0.04 1.21 0.96 2q42A12 ILE 87 HG23 -0.01 0.01 -0.01 -0.04 0.93 0.88 2q42A12 ILE 87 HD13 -0.05 -0.02 -0.22 -0.04 0.88 0.56 2q42A12 ASP 88 H -0.02 0.58 0.40 -0.55 8.40 8.81 2q42A12 ASP 88 HA 0.00 0.18 0.93 -0.75 4.63 4.99 2q42A12 ASP 88 HB2 0.02 -0.05 0.14 -0.04 2.71 2.78 2q42A12 ASP 88 HB3 0.03 -0.02 0.10 -0.04 2.70 2.77 2q42A12 MET 89 H -0.06 0.47 0.30 -0.55 8.47 8.63 2q42A12 MET 89 HA -0.02 0.16 0.91 -0.75 4.52 4.82 2q42A12 MET 89 HB2 -0.01 0.05 -0.11 -0.04 2.15 2.04 2q42A12 MET 89 HB3 -0.19 -0.05 0.07 -0.04 2.03 1.81 2q42A12 MET 89 HG2 -0.21 -0.05 -0.06 -0.04 2.63 2.27 2q42A12 MET 89 HG3 -0.13 0.07 -0.18 -0.04 2.56 2.28 2q42A12 MET 89 HE3 0.02 0.05 0.12 -0.04 2.10 2.25 2q42A12 ALA 90 H -0.03 0.18 0.10 -0.55 8.40 8.10 2q42A12 ALA 90 HA -0.07 0.23 0.76 -0.75 4.34 4.50 2q42A12 ALA 90 HB3 -0.02 -0.01 -0.05 -0.04 1.41 1.29 2q42A12 LEU 91 H -0.06 0.37 0.30 -0.55 8.37 8.43 2q42A12 LEU 91 HA -0.02 0.21 1.08 -0.75 4.35 4.87 2q42A12 LEU 91 HB2 -0.07 -0.02 -0.02 -0.04 1.64 1.49 2q42A12 LEU 91 HB3 -0.02 0.01 -0.01 -0.04 1.64 1.58 2q42A12 LEU 91 HG -0.22 0.02 -0.37 -0.04 1.64 1.03 2q42A12 LEU 91 HD13 -0.27 -0.01 -0.13 -0.04 0.93 0.48 2q42A12 LEU 91 HD23 -0.07 0.12 -0.12 -0.04 0.89 0.78 2q42A12 LYS 92 H 0.01 0.20 0.16 -0.55 8.42 8.24 2q42A12 LYS 92 HA 0.01 0.02 0.75 -0.75 4.32 4.34 2q42A12 LYS 92 HB2 0.02 0.04 0.05 -0.04 1.87 1.94 2q42A12 LYS 92 HB3 0.02 0.09 0.06 -0.04 1.79 1.91 2q42A12 LYS 92 HG2 0.01 0.07 -0.00 -0.04 1.46 1.50 2q42A12 LYS 92 HG3 0.01 -0.07 -0.05 -0.04 1.46 1.30 2q42A12 LYS 92 HD2 0.01 0.03 -0.10 -0.04 1.69 1.58 2q42A12 LYS 92 HD3 0.01 -0.14 -0.07 -0.04 1.68 1.43 2q42A12 LYS 92 HE2 0.01 0.03 -0.02 -0.04 2.99 2.98 2q42A12 LYS 92 HE3 0.02 0.05 -0.00 -0.04 2.99 3.02 2q42A12 ASP 93 H 0.02 0.09 0.16 -0.55 8.40 8.12 2q42A12 ASP 93 HA 0.03 0.02 0.38 -0.75 4.63 4.31 2q42A12 ASP 93 HB2 0.02 -0.05 0.20 -0.04 2.71 2.83 2q42A12 ASP 93 HB3 0.02 0.04 0.17 -0.04 2.70 2.89 2q42A12 GLY 94 H 0.05 0.60 0.36 -0.55 8.43 8.90 2q42A12 GLY 94 HA2 0.07 0.05 0.42 -0.51 4.01 4.04 2q42A12 GLY 94 HA3 0.04 0.07 0.62 -0.51 4.01 4.24 2q42A12 ASP 95 H 0.06 0.32 -0.08 -0.55 8.40 8.15 2q42A12 ASP 95 HA 0.07 0.09 0.47 -0.75 4.63 4.51 2q42A12 ASP 95 HB2 0.06 0.01 0.13 -0.04 2.71 2.87 2q42A12 ASP 95 HB3 0.08 -0.01 0.03 -0.04 2.70 2.76 2q42A12 LYS 96 H 0.05 0.19 0.04 -0.55 8.42 8.15 2q42A12 LYS 96 HA -0.15 0.18 0.67 -0.75 4.32 4.28 2q42A12 LYS 96 HB2 0.03 0.07 0.00 -0.04 1.87 1.94 2q42A12 LYS 96 HB3 -0.01 -0.02 0.20 -0.04 1.79 1.92 2q42A12 LYS 96 HG2 -0.14 -0.02 -0.13 -0.04 1.46 1.13 2q42A12 LYS 96 HG3 -0.39 -0.05 -0.10 -0.04 1.46 0.87 2q42A12 LYS 96 HD2 -0.05 -0.02 -0.04 -0.04 1.69 1.53 2q42A12 LYS 96 HD3 0.14 0.03 -0.02 -0.04 1.68 1.78 2q42A12 LYS 96 HE2 0.03 0.01 0.02 -0.04 2.99 3.01 2q42A12 LYS 96 HE3 -0.02 -0.02 -0.01 -0.04 2.99 2.90 2q42A12 TRP 97 H 0.13 0.49 0.03 -0.55 7.97 8.07 2q42A12 TRP 97 HA -0.08 0.08 0.57 -0.75 4.62 4.44 2q42A12 TRP 97 HB2 -0.08 -0.03 0.01 -0.04 3.23 3.09 2q42A12 TRP 97 HB3 -0.12 0.05 0.03 -0.04 3.23 3.15 2q42A12 TRP 97 HD1 -0.06 0.00 0.01 -0.04 7.22 7.13 2q42A12 TRP 97 HE1 -0.12 0.02 -0.03 -0.04 10.20 10.03 2q42A12 TRP 97 HE3 -0.14 -0.02 -0.26 -0.04 7.59 7.13 2q42A12 TRP 97 HZ2 -1.30 0.02 -0.06 -0.04 7.44 6.05 2q42A12 TRP 97 HZ3 0.03 -0.01 -0.22 -0.04 7.13 6.88 2q42A12 TRP 97 HH2 -0.82 -0.03 -0.14 -0.04 7.19 6.17 2q42A12 MET 98 H -1.06 0.17 0.10 -0.55 8.47 7.13 2q42A12 MET 98 HA -0.45 0.32 0.78 -0.75 4.52 4.42 2q42A12 MET 98 HB2 -0.45 0.01 0.06 -0.04 2.15 1.73 2q42A12 MET 98 HB3 -0.32 -0.17 -0.17 -0.04 2.03 1.32 2q42A12 MET 98 HG2 -0.25 0.03 -0.12 -0.04 2.63 2.25 2q42A12 MET 98 HG3 -0.19 0.03 -0.10 -0.04 2.56 2.25 2q42A12 MET 98 HE3 -0.10 0.02 -0.11 -0.04 2.10 1.86 2q42A12 PHE 99 H -0.23 0.86 0.13 -0.55 8.34 8.56 2q42A12 PHE 99 HA -0.60 0.10 0.57 -0.75 4.62 3.93 2q42A12 PHE 99 HB2 0.07 -0.00 -0.09 -0.04 3.15 3.09 2q42A12 PHE 99 HB3 0.20 0.08 0.08 -0.04 3.06 3.37 2q42A12 PHE 99 HD2 0.25 -0.00 -0.14 -0.04 7.28 7.34 2q42A12 PHE 99 HE2 0.15 -0.00 -0.35 -0.04 7.38 7.14 2q42A12 PHE 99 HZ 0.03 0.24 -0.38 -0.04 7.32 7.16 2q42A12 ALA 100 H -0.32 0.24 -0.00 -0.55 8.40 7.77 2q42A12 ALA 100 HA -0.17 0.06 0.27 -0.75 4.34 3.74 2q42A12 ALA 100 HB3 -0.25 0.04 0.01 -0.04 1.41 1.16 2q42A12 GLY 101 H -0.22 0.04 -0.44 -0.55 8.43 7.26 2q42A12 GLY 101 HA2 -0.19 -0.03 0.19 -0.51 4.01 3.48 2q42A12 GLY 101 HA3 -0.21 0.16 0.39 -0.51 4.01 3.84 2q42A12 HIS 102 H -0.00 0.29 -0.43 -0.55 8.41 7.72 2q42A12 HIS 102 HA -0.00 0.13 0.84 -0.75 4.63 4.84 2q42A12 HIS 102 HB2 0.27 0.08 0.04 -0.04 3.26 3.61 2q42A12 HIS 102 HB3 0.18 -0.04 -0.00 -0.04 3.20 3.29 2q42A12 HIS 102 HD2 0.06 -0.04 0.01 -0.04 6.97 6.95 2q42A12 HIS 102 HE1 0.01 -0.10 0.02 -0.04 7.75 7.63 2q42A12 GLU 103 H -0.01 0.12 0.10 -0.55 8.60 8.26 2q42A12 GLU 103 HA -0.22 0.10 0.33 -0.75 4.29 3.75 2q42A12 GLU 103 HB2 -0.10 -0.06 0.13 -0.04 2.09 2.02 2q42A12 GLU 103 HB3 -0.55 0.02 -0.03 -0.04 1.99 1.39 2q42A12 GLU 103 HG2 -0.14 0.03 -0.07 -0.04 2.34 2.12 2q42A12 GLU 103 HG3 -0.06 -0.02 0.06 -0.04 2.34 2.28 2q42A12 VAL 104 H -0.26 0.56 0.18 -0.55 8.24 8.18 2q42A12 VAL 104 HA -0.52 0.34 0.89 -0.75 4.13 4.09 2q42A12 VAL 104 HB 0.24 -0.11 0.08 -0.04 2.12 2.29 2q42A12 VAL 104 HG13 -0.18 -0.02 -0.24 -0.04 0.97 0.49 2q42A12 VAL 104 HG23 -0.32 0.02 -0.23 -0.04 0.95 0.39 2q42A12 HIS 105 H -0.05 0.51 0.14 -0.55 8.41 8.48 2q42A12 HIS 105 HA 0.06 0.33 0.70 -0.75 4.63 4.95 2q42A12 HIS 105 HB2 0.26 -0.04 0.18 -0.04 3.26 3.62 2q42A12 HIS 105 HB3 0.12 0.04 0.00 -0.04 3.20 3.32 2q42A12 HIS 105 HD2 0.04 0.02 -0.00 -0.04 6.97 6.98 2q42A12 HIS 105 HE1 0.03 0.01 -0.02 -0.04 7.75 7.72 2q42A12 VAL 106 H 0.11 0.51 0.29 -0.55 8.24 8.60 2q42A12 VAL 106 HA 0.08 0.16 0.64 -0.75 4.13 4.26 2q42A12 VAL 106 HB 0.06 -0.03 0.18 -0.04 2.12 2.28 2q42A12 VAL 106 HG13 0.03 -0.04 -0.33 -0.04 0.97 0.59 2q42A12 VAL 106 HG23 0.03 0.03 -0.10 -0.04 0.95 0.87 2q42A12 MET 107 H 0.08 0.65 0.30 -0.55 8.47 8.95 2q42A12 MET 107 HA 0.04 0.08 0.97 -0.75 4.52 4.86 2q42A12 MET 107 HB2 0.04 -0.04 0.10 -0.04 2.15 2.21 2q42A12 MET 107 HB3 0.01 0.08 -0.04 -0.04 2.03 2.03 2q42A12 MET 107 HG2 -0.00 0.03 -0.12 -0.04 2.63 2.50 2q42A12 MET 107 HG3 0.08 -0.03 -0.55 -0.04 2.56 2.02 2q42A12 MET 107 HE3 -0.09 0.02 -0.25 -0.04 2.10 1.74 2q42A12 ASP 108 H 0.03 0.08 0.14 -0.55 8.40 8.10 2q42A12 ASP 108 HA 0.04 0.09 0.62 -0.75 4.63 4.63 2q42A12 ASP 108 HB2 0.02 0.01 0.21 -0.04 2.71 2.90 2q42A12 ASP 108 HB3 0.02 0.02 0.04 -0.04 2.70 2.74 2q42A12 THR 109 H 0.07 0.71 0.23 -0.55 8.28 8.74 2q42A12 THR 109 HA -0.02 0.19 0.84 -0.75 4.39 4.65 2q42A12 THR 109 HB -0.10 -0.04 0.02 -0.04 4.32 4.16 2q42A12 THR 109 HG23 -0.00 0.04 -0.27 -0.04 1.22 0.95 2q42A12 PRO 110 HA 0.02 0.10 0.61 -0.51 4.44 4.66 2q42A12 PRO 110 HB2 0.00 -0.01 -0.01 -0.04 2.28 2.22 2q42A12 PRO 110 HB3 0.02 -0.09 0.15 -0.04 2.02 2.05 2q42A12 PRO 110 HG2 -0.01 0.05 0.01 -0.04 2.03 2.04 2q42A12 PRO 110 HG3 0.00 0.05 0.02 -0.04 2.03 2.05 2q42A12 PRO 110 HD2 -0.01 0.27 -0.12 -0.04 3.68 3.78 2q42A12 PRO 110 HD3 0.01 0.03 -0.09 -0.04 3.65 3.56 2q42A12 GLY 111 H -0.00 0.36 -0.02 -0.55 8.43 8.22 2q42A12 GLY 111 HA2 -0.03 -0.07 0.21 -0.51 4.01 3.61 2q42A12 GLY 111 HA3 -0.07 0.21 0.55 -0.51 4.01 4.20 2q42A12 HIS 112 H -0.05 0.25 0.05 -0.55 8.41 8.11 2q42A12 HIS 112 HA -0.09 0.42 0.59 -0.75 4.63 4.80 2q42A12 HIS 112 HB2 -0.19 0.18 0.15 -0.04 3.26 3.36 2q42A12 HIS 112 HB3 -0.21 -0.13 0.08 -0.04 3.20 2.90 2q42A12 HIS 112 HD2 -0.41 -0.12 -0.10 -0.04 6.97 6.30 2q42A12 HIS 112 HE1 0.56 -0.00 0.05 -0.04 7.75 8.31 2q42A12 THR 113 H 0.07 0.19 0.03 -0.55 8.28 8.03 2q42A12 THR 113 HA 0.06 0.26 0.59 -0.75 4.39 4.54 2q42A12 THR 113 HB 0.11 0.09 0.01 -0.04 4.32 4.50 2q42A12 THR 113 HG23 -0.17 0.01 -0.14 -0.04 1.22 0.87 2q42A12 LYS 114 H 0.05 0.32 0.05 -0.55 8.42 8.28 2q42A12 LYS 114 HA 0.03 0.06 0.68 -0.75 4.32 4.34 2q42A12 LYS 114 HB2 0.01 0.04 0.16 -0.04 1.87 2.04 2q42A12 LYS 114 HB3 0.01 0.06 -0.00 -0.04 1.79 1.82 2q42A12 LYS 114 HG2 0.02 -0.02 -0.06 -0.04 1.46 1.36 2q42A12 LYS 114 HG3 0.03 -0.06 -0.29 -0.04 1.46 1.09 2q42A12 LYS 114 HD2 0.02 0.02 0.02 -0.04 1.69 1.70 2q42A12 LYS 114 HD3 0.01 -0.01 0.00 -0.04 1.68 1.64 2q42A12 LYS 114 HE2 0.02 0.35 0.06 -0.04 2.99 3.37 2q42A12 LYS 114 HE3 0.01 0.01 0.02 -0.04 2.99 2.99 2q42A12 GLY 115 H 0.05 0.22 0.06 -0.55 8.43 8.21 2q42A12 GLY 115 HA2 0.03 -0.02 0.23 -0.51 4.01 3.75 2q42A12 GLY 115 HA3 0.03 0.21 0.76 -0.51 4.01 4.50 2q42A12 HIS 116 H 0.14 0.03 -0.28 -0.55 8.41 7.76 2q42A12 HIS 116 HA 0.05 0.23 0.44 -0.75 4.63 4.59 2q42A12 HIS 116 HB2 -0.03 -0.21 0.04 -0.04 3.26 3.02 2q42A12 HIS 116 HB3 -0.03 0.26 -0.05 -0.04 3.20 3.33 2q42A12 HIS 116 HD2 -0.53 -0.08 -0.09 -0.04 6.97 6.22 2q42A12 HIS 116 HE1 -0.05 0.14 -0.27 -0.04 7.75 7.53 2q42A12 ILE 117 H -0.07 0.67 0.42 -0.55 8.25 8.71 2q42A12 ILE 117 HA 0.12 0.09 1.03 -0.75 4.18 4.66 2q42A12 ILE 117 HB 0.05 0.04 -0.00 -0.04 1.89 1.93 2q42A12 ILE 117 HG12 -0.02 0.05 0.12 -0.04 1.49 1.59 2q42A12 ILE 117 HG13 0.00 -0.05 -0.07 -0.04 1.21 1.06 2q42A12 ILE 117 HG23 0.03 0.01 -0.14 -0.04 0.93 0.78 2q42A12 ILE 117 HD13 -0.03 0.01 -0.17 -0.04 0.88 0.64 2q42A12 SER 118 H 0.10 0.65 0.35 -0.55 8.46 9.01 2q42A12 SER 118 HA 0.18 0.22 0.87 -0.75 4.49 5.00 2q42A12 SER 118 HB2 0.07 -0.01 0.01 -0.04 3.95 3.98 2q42A12 SER 118 HB3 0.11 0.04 -0.05 -0.04 3.93 3.99 2q42A12 LEU 119 H 0.25 0.48 0.24 -0.55 8.37 8.80 2q42A12 LEU 119 HA 0.13 0.21 0.88 -0.75 4.35 4.81 2q42A12 LEU 119 HB2 0.39 -0.07 0.10 -0.04 1.64 2.01 2q42A12 LEU 119 HB3 0.11 0.07 -0.14 -0.04 1.64 1.64 2q42A12 LEU 119 HG 0.11 -0.06 -0.37 -0.04 1.64 1.27 2q42A12 LEU 119 HD13 0.01 -0.00 -0.21 -0.04 0.93 0.69 2q42A12 LEU 119 HD23 0.00 0.02 -0.25 -0.04 0.89 0.63 2q42A12 TYR 120 H 0.21 0.77 0.24 -0.55 8.29 8.96 2q42A12 TYR 120 HA 0.13 0.15 0.93 -0.75 4.56 5.01 2q42A12 TYR 120 HB2 0.07 -0.02 -0.04 -0.04 3.06 3.03 2q42A12 TYR 120 HB3 0.12 0.02 0.20 -0.04 2.98 3.28 2q42A12 TYR 120 HD2 0.07 -0.01 -0.08 -0.04 7.15 7.09 2q42A12 TYR 120 HE2 0.01 0.00 -0.09 -0.04 6.85 6.73 2q42A12 PHE 121 H 0.09 0.78 0.29 -0.55 8.34 8.95 2q42A12 PHE 121 HA -0.08 0.35 0.85 -0.75 4.62 4.99 2q42A12 PHE 121 HB2 -0.01 0.15 0.16 -0.04 3.15 3.41 2q42A12 PHE 121 HB3 -0.04 -0.15 0.12 -0.04 3.06 2.94 2q42A12 PHE 121 HD2 0.17 0.01 -0.14 -0.04 7.28 7.28 2q42A12 PHE 121 HE2 -0.02 -0.04 -0.17 -0.04 7.38 7.11 2q42A12 PHE 121 HZ -0.30 -0.05 -0.18 -0.04 7.32 6.74 2q42A12 PRO 122 HA -0.49 0.05 0.36 -0.51 4.44 3.86 2q42A12 PRO 122 HB2 -0.02 0.06 0.01 -0.04 2.28 2.29 2q42A12 PRO 122 HB3 -0.15 0.04 0.08 -0.04 2.02 1.95 2q42A12 PRO 122 HG2 0.03 -0.02 0.09 -0.04 2.03 2.09 2q42A12 PRO 122 HG3 0.27 0.05 0.04 -0.04 2.03 2.34 2q42A12 PRO 122 HD2 -0.14 0.36 0.15 -0.04 3.68 4.01 2q42A12 PRO 122 HD3 -0.60 0.08 -0.20 -0.04 3.65 2.88 2q42A12 GLY 123 H 0.03 0.12 -0.25 -0.55 8.43 7.78 2q42A12 GLY 123 HA2 0.05 0.08 0.40 -0.51 4.01 4.03 2q42A12 GLY 123 HA3 0.11 0.02 0.29 -0.51 4.01 3.92 2q42A12 SER 124 H 0.05 0.30 -0.25 -0.55 8.46 8.02 2q42A12 SER 124 HA -0.00 0.23 0.85 -0.75 4.49 4.81 2q42A12 SER 124 HB2 -0.03 -0.04 -0.01 -0.04 3.95 3.83 2q42A12 SER 124 HB3 -0.07 0.07 0.13 -0.04 3.93 4.01 2q42A12 ARG 125 H -0.00 0.26 -0.32 -0.55 8.46 7.84 2q42A12 ARG 125 HA 0.03 -0.03 0.30 -0.75 4.34 3.89 2q42A12 ARG 125 HB2 0.02 0.11 0.01 -0.04 1.90 2.00 2q42A12 ARG 125 HB3 0.03 0.01 0.18 -0.04 1.80 1.99 2q42A12 ARG 125 HG2 0.04 -0.04 0.02 -0.04 1.67 1.65 2q42A12 ARG 125 HG3 0.02 0.06 -0.11 -0.04 1.67 1.61 2q42A12 ARG 125 HD2 0.01 0.03 -0.03 -0.04 3.22 3.19 2q42A12 ARG 125 HD3 0.02 0.01 0.01 -0.04 3.22 3.22 2q42A12 ALA 126 H 0.01 0.29 -0.06 -0.55 8.40 8.10 2q42A12 ALA 126 HA 0.03 0.27 0.92 -0.75 4.34 4.80 2q42A12 ALA 126 HB3 -0.04 0.03 -0.16 -0.04 1.41 1.20 2q42A12 ILE 127 H -0.04 0.70 0.29 -0.55 8.25 8.65 2q42A12 ILE 127 HA 0.16 0.31 1.00 -0.75 4.18 4.90 2q42A12 ILE 127 HB 0.30 -0.00 -0.16 -0.04 1.89 1.99 2q42A12 ILE 127 HG12 0.11 -0.07 -0.47 -0.04 1.49 1.02 2q42A12 ILE 127 HG13 0.23 0.10 -0.41 -0.04 1.21 1.09 2q42A12 ILE 127 HG23 0.02 0.01 -0.09 -0.04 0.93 0.83 2q42A12 ILE 127 HD13 0.03 -0.01 -0.22 -0.04 0.88 0.64 2q42A12 PHE 128 H 0.27 0.54 0.25 -0.55 8.34 8.84 2q42A12 PHE 128 HA 0.12 0.39 0.94 -0.75 4.62 5.31 2q42A12 PHE 128 HB2 0.13 -0.10 0.24 -0.04 3.15 3.38 2q42A12 PHE 128 HB3 0.14 -0.05 0.08 -0.04 3.06 3.19 2q42A12 PHE 128 HD2 0.07 0.06 -0.00 -0.04 7.28 7.37 2q42A12 PHE 128 HE2 -0.72 0.04 -0.14 -0.04 7.38 6.52 2q42A12 PHE 128 HZ -0.63 0.06 -0.16 -0.04 7.32 6.54 2q42A12 THR 129 H 0.14 0.50 0.16 -0.55 8.28 8.54 2q42A12 THR 129 HA 0.12 0.18 0.75 -0.75 4.39 4.69 2q42A12 THR 129 HB -0.06 -0.22 0.11 -0.04 4.32 4.11 2q42A12 THR 129 HG23 0.00 0.05 -0.21 -0.04 1.22 1.02 2q42A12 GLY 130 H 0.28 0.19 -0.04 -0.55 8.43 8.32 2q42A12 GLY 130 HA2 0.29 0.08 0.30 -0.51 4.01 4.17 2q42A12 GLY 130 HA3 0.25 0.03 0.34 -0.51 4.01 4.12 2q42A12 ASP 131 H 0.39 0.13 0.13 -0.55 8.40 8.50 2q42A12 ASP 131 HA -0.63 0.18 0.73 -0.75 4.63 4.16 2q42A12 ASP 131 HB2 -0.54 -0.04 0.08 -0.04 2.71 2.17 2q42A12 ASP 131 HB3 -0.75 0.02 0.18 -0.04 2.70 2.11 2q42A12 THR 132 H -0.41 0.62 -0.19 -0.55 8.28 7.75 2q42A12 THR 132 HA -0.48 0.00 0.67 -0.75 4.39 3.83 2q42A12 THR 132 HB -0.31 0.10 0.12 -0.04 4.32 4.19 2q42A12 THR 132 HG23 -0.22 0.00 -0.19 -0.04 1.22 0.77 2q42A12 MET 133 H -0.29 0.21 -0.03 -0.55 8.47 7.82 2q42A12 MET 133 HA -0.24 0.25 1.07 -0.75 4.52 4.84 2q42A12 MET 133 HB2 -0.11 -0.01 -0.08 -0.04 2.15 1.91 2q42A12 MET 133 HB3 -0.09 -0.07 0.02 -0.04 2.03 1.85 2q42A12 MET 133 HG2 0.01 0.25 -0.17 -0.04 2.63 2.68 2q42A12 MET 133 HG3 -0.01 0.03 0.03 -0.04 2.56 2.57 2q42A12 MET 133 HE3 -0.02 0.00 -0.07 -0.04 2.10 1.97 2q42A12 PHE 134 H 0.01 0.39 -0.17 -0.55 8.34 8.02 2q42A12 PHE 134 HA 0.10 0.12 0.70 -0.75 4.62 4.78 2q42A12 PHE 134 HB2 0.14 -0.02 -0.30 -0.04 3.15 2.93 2q42A12 PHE 134 HB3 0.17 -0.05 0.00 -0.04 3.06 3.15 2q42A12 PHE 134 HD2 0.10 0.03 -0.29 -0.04 7.28 7.08 2q42A12 PHE 134 HE2 0.16 -0.04 -0.22 -0.04 7.38 7.24 2q42A12 PHE 134 HZ 0.20 -0.03 -0.11 -0.04 7.32 7.34 2q42A12 SER 135 H 0.31 0.13 0.07 -0.55 8.46 8.42 2q42A12 SER 135 HA 0.18 0.13 0.75 -0.75 4.49 4.79 2q42A12 SER 135 HB2 0.20 0.04 0.09 -0.04 3.95 4.23 2q42A12 SER 135 HB3 0.23 -0.09 0.14 -0.04 3.93 4.17 2q42A12 LEU 136 H 0.18 0.21 0.10 -0.55 8.37 8.32 2q42A12 LEU 136 HA 0.19 -0.01 0.26 -0.75 4.35 4.04 2q42A12 LEU 136 HB2 0.19 0.12 0.06 -0.04 1.64 1.97 2q42A12 LEU 136 HB3 0.18 0.06 0.01 -0.04 1.64 1.85 2q42A12 LEU 136 HG 0.33 -0.13 -0.51 -0.04 1.64 1.29 2q42A12 LEU 136 HD13 0.14 0.04 -0.08 -0.04 0.93 0.99 2q42A12 LEU 136 HD23 0.24 0.05 -0.20 -0.04 0.89 0.94 2q42A12 SER 137 H 0.28 0.14 -0.66 -0.55 8.46 7.67 2q42A12 SER 137 HA 0.52 0.17 0.53 -0.75 4.49 4.95 2q42A12 SER 137 HB2 0.18 0.04 0.10 -0.04 3.95 4.23 2q42A12 SER 137 HB3 0.24 0.03 -0.25 -0.04 3.93 3.92 2q42A12 CYS 138 H -0.46 0.30 0.11 -0.55 8.50 7.90 2q42A12 CYS 138 HA -0.23 0.12 0.65 -0.75 4.58 4.36 2q42A12 CYS 138 HB2 -0.32 0.13 0.19 -0.04 2.97 2.93 2q42A12 CYS 138 HB3 -0.41 -0.05 -0.03 -0.04 2.97 2.43 2q42A12 GLY 139 H -0.34 0.35 0.13 -0.55 8.43 8.03 2q42A12 GLY 139 HA2 0.17 -0.07 0.42 -0.51 4.01 4.02 2q42A12 GLY 139 HA3 -0.30 0.25 0.48 -0.51 4.01 3.93 2q42A12 LYS 140 H 0.02 0.04 0.17 -0.55 8.42 8.09 2q42A12 LYS 140 HA -0.22 0.14 0.57 -0.75 4.32 4.05 2q42A12 LYS 140 HB2 -0.69 -0.08 0.10 -0.04 1.87 1.16 2q42A12 LYS 140 HB3 -0.79 0.05 -0.01 -0.04 1.79 1.01 2q42A12 LYS 140 HG2 -0.14 0.09 0.05 -0.04 1.46 1.41 2q42A12 LYS 140 HG3 -0.08 -0.04 0.06 -0.04 1.46 1.35 2q42A12 LYS 140 HD2 0.18 -0.06 0.01 -0.04 1.69 1.78 2q42A12 LYS 140 HD3 -0.05 0.04 0.01 -0.04 1.68 1.64 2q42A12 LYS 140 HE2 0.03 0.02 0.02 -0.04 2.99 3.02 2q42A12 LYS 140 HE3 -0.05 0.07 0.02 -0.04 2.99 2.99 2q42A12 LEU 141 H -0.25 0.19 0.03 -0.55 8.37 7.79 2q42A12 LEU 141 HA -0.12 0.12 0.61 -0.75 4.35 4.20 2q42A12 LEU 141 HB2 -0.07 0.02 0.15 -0.04 1.64 1.70 2q42A12 LEU 141 HB3 -0.05 0.17 -0.05 -0.04 1.64 1.67 2q42A12 LEU 141 HG -0.11 0.01 -0.05 -0.04 1.64 1.44 2q42A12 LEU 141 HD13 -0.02 -0.03 -0.16 -0.04 0.93 0.68 2q42A12 LEU 141 HD23 -0.09 -0.00 -0.38 -0.04 0.89 0.37 2q42A12 PHE 142 H -0.19 0.38 0.19 -0.55 8.34 8.16 2q42A12 PHE 142 HA 0.02 0.12 0.61 -0.75 4.62 4.61 2q42A12 PHE 142 HB2 -0.04 0.13 0.18 -0.04 3.15 3.38 2q42A12 PHE 142 HB3 0.04 -0.04 0.09 -0.04 3.06 3.11 2q42A12 PHE 142 HD2 -0.08 0.02 0.00 -0.04 7.28 7.18 2q42A12 PHE 142 HE2 0.12 -0.00 -0.01 -0.04 7.38 7.44 2q42A12 PHE 142 HZ 0.04 0.02 -0.01 -0.04 7.32 7.33 2q42A12 GLU 143 H 0.07 0.13 -0.03 -0.55 8.60 8.21 2q42A12 GLU 143 HA 0.08 0.31 0.98 -0.75 4.29 4.91 2q42A12 GLU 143 HB2 0.07 -0.27 -0.05 -0.04 2.09 1.80 2q42A12 GLU 143 HB3 0.05 -0.02 0.01 -0.04 1.99 2.00 2q42A12 GLU 143 HG2 0.09 0.14 0.01 -0.04 2.34 2.54 2q42A12 GLU 143 HG3 0.17 0.03 -0.27 -0.04 2.34 2.22 2q42A12 GLY 144 H 0.02 0.38 0.01 -0.55 8.43 8.29 2q42A12 GLY 144 HA2 0.01 0.15 0.68 -0.51 4.01 4.35 2q42A12 GLY 144 HA3 0.00 -0.12 0.25 -0.51 4.01 3.63 2q42A12 THR 145 H -0.00 0.02 0.14 -0.55 8.28 7.89 2q42A12 THR 145 HA 0.00 0.38 0.80 -0.75 4.39 4.82 2q42A12 THR 145 HB 0.00 0.03 0.14 -0.04 4.32 4.46 2q42A12 THR 145 HG23 0.01 0.05 -0.05 -0.04 1.22 1.19 2q42A12 PRO 146 HA 0.00 0.12 0.43 -0.51 4.44 4.48 2q42A12 PRO 146 HB2 0.02 -0.01 0.04 -0.04 2.28 2.29 2q42A12 PRO 146 HB3 0.03 0.08 0.15 -0.04 2.02 2.24 2q42A12 PRO 146 HG2 0.02 0.10 0.10 -0.04 2.03 2.20 2q42A12 PRO 146 HG3 0.01 0.11 0.10 -0.04 2.03 2.22 2q42A12 PRO 146 HD2 0.01 0.09 0.24 -0.04 3.68 3.98 2q42A12 PRO 146 HD3 0.00 0.29 0.21 -0.04 3.65 4.11 2q42A12 LYS 147 H 0.00 0.14 -0.20 -0.55 8.42 7.81 2q42A12 LYS 147 HA 0.00 0.08 0.51 -0.75 4.32 4.16 2q42A12 LYS 147 HB2 0.00 0.02 0.06 -0.04 1.87 1.92 2q42A12 LYS 147 HB3 0.00 -0.02 0.04 -0.04 1.79 1.78 2q42A12 LYS 147 HG2 -0.00 0.03 -0.22 -0.04 1.46 1.23 2q42A12 LYS 147 HG3 0.00 -0.02 0.04 -0.04 1.46 1.44 2q42A12 LYS 147 HD2 0.00 -0.00 -0.01 -0.04 1.69 1.64 2q42A12 LYS 147 HD3 0.00 0.02 -0.03 -0.04 1.68 1.63 2q42A12 LYS 147 HE2 -0.00 0.01 -0.04 -0.04 2.99 2.92 2q42A12 LYS 147 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.92 2q42A12 GLN 148 H -0.01 0.02 -0.24 -0.55 8.47 7.70 2q42A12 GLN 148 HA -0.01 0.09 0.43 -0.75 4.36 4.12 2q42A12 GLN 148 HB2 -0.01 -0.06 0.09 -0.04 2.15 2.12 2q42A12 GLN 148 HB3 -0.01 0.09 -0.19 -0.04 2.02 1.87 2q42A12 GLN 148 HG2 -0.00 0.08 0.00 -0.04 2.40 2.44 2q42A12 GLN 148 HG3 -0.00 -0.05 0.03 -0.04 2.39 2.32 2q42A12 GLN 148 HE21 0.01 0.03 -0.01 -0.04 6.97 6.96 2q42A12 GLN 148 HE22 0.00 0.05 -0.01 -0.04 7.69 7.69 2q42A12 MET 149 H -0.02 0.55 -0.08 -0.55 8.47 8.37 2q42A12 MET 149 HA -0.07 0.17 0.50 -0.75 4.52 4.36 2q42A12 MET 149 HB2 -0.07 -0.07 0.04 -0.04 2.15 2.01 2q42A12 MET 149 HB3 -0.04 0.04 0.10 -0.04 2.03 2.10 2q42A12 MET 149 HG2 -0.14 0.06 -0.07 -0.04 2.63 2.44 2q42A12 MET 149 HG3 -0.07 0.02 -0.25 -0.04 2.56 2.22 2q42A12 MET 149 HE3 -0.19 -0.01 0.03 -0.04 2.10 1.89 2q42A12 LEU 150 H -0.01 0.53 -0.17 -0.55 8.37 8.17 2q42A12 LEU 150 HA 0.00 0.06 0.33 -0.75 4.35 3.99 2q42A12 LEU 150 HB2 0.02 0.02 0.09 -0.04 1.64 1.74 2q42A12 LEU 150 HB3 0.00 0.04 0.16 -0.04 1.64 1.80 2q42A12 LEU 150 HG 0.00 0.02 -0.25 -0.04 1.64 1.38 2q42A12 LEU 150 HD13 0.02 0.02 -0.01 -0.04 0.93 0.91 2q42A12 LEU 150 HD23 0.01 -0.03 -0.16 -0.04 0.89 0.67 2q42A12 ALA 151 H -0.01 0.42 -0.30 -0.55 8.40 7.95 2q42A12 ALA 151 HA -0.02 0.01 0.38 -0.75 4.34 3.96 2q42A12 ALA 151 HB3 -0.01 0.02 0.11 -0.04 1.41 1.49 2q42A12 SER 152 H -0.04 0.63 -0.05 -0.55 8.46 8.46 2q42A12 SER 152 HA -0.04 0.04 0.49 -0.75 4.49 4.22 2q42A12 SER 152 HB2 -0.08 0.09 0.11 -0.04 3.95 4.02 2q42A12 SER 152 HB3 -0.08 -0.11 0.00 -0.04 3.93 3.70 2q42A12 LEU 153 H -0.05 0.65 -0.17 -0.55 8.37 8.26 2q42A12 LEU 153 HA -0.06 -0.03 0.36 -0.75 4.35 3.87 2q42A12 LEU 153 HB2 -0.01 0.12 0.08 -0.04 1.64 1.78 2q42A12 LEU 153 HB3 -0.01 -0.04 -0.06 -0.04 1.64 1.50 2q42A12 LEU 153 HG -0.08 0.18 0.01 -0.04 1.64 1.71 2q42A12 LEU 153 HD13 -0.00 -0.03 -0.14 -0.04 0.93 0.72 2q42A12 LEU 153 HD23 -0.10 0.00 -0.11 -0.04 0.89 0.63 2q42A12 GLN 154 H -0.02 0.49 -0.24 -0.55 8.47 8.15 2q42A12 GLN 154 HA -0.02 0.02 0.48 -0.75 4.36 4.08 2q42A12 GLN 154 HB2 -0.02 0.17 0.18 -0.04 2.15 2.43 2q42A12 GLN 154 HB3 -0.02 -0.05 -0.01 -0.04 2.02 1.89 2q42A12 GLN 154 HG2 -0.01 -0.03 0.02 -0.04 2.40 2.33 2q42A12 GLN 154 HG3 -0.01 0.28 0.09 -0.04 2.39 2.70 2q42A12 GLN 154 HE21 -0.01 -0.05 -0.03 -0.04 6.97 6.84 2q42A12 GLN 154 HE22 -0.01 0.02 -0.02 -0.04 7.69 7.64 2q42A12 LYS 155 H -0.04 0.44 -0.16 -0.55 8.42 8.11 2q42A12 LYS 155 HA -0.06 0.02 0.35 -0.75 4.32 3.88 2q42A12 LYS 155 HB2 -0.05 0.13 0.10 -0.04 1.87 2.01 2q42A12 LYS 155 HB3 -0.06 -0.06 -0.03 -0.04 1.79 1.60 2q42A12 LYS 155 HG2 -0.04 -0.05 0.03 -0.04 1.46 1.36 2q42A12 LYS 155 HG3 -0.03 0.14 0.08 -0.04 1.46 1.61 2q42A12 LYS 155 HD2 -0.02 0.09 0.06 -0.04 1.69 1.78 2q42A12 LYS 155 HD3 -0.02 -0.10 0.01 -0.04 1.68 1.52 2q42A12 LYS 155 HE2 -0.02 -0.04 0.02 -0.04 2.99 2.90 2q42A12 LYS 155 HE3 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2q42A12 ILE 156 H -0.05 0.35 -0.32 -0.55 8.25 7.67 2q42A12 ILE 156 HA -0.09 -0.00 0.31 -0.75 4.18 3.65 2q42A12 ILE 156 HB -0.05 0.16 0.10 -0.04 1.89 2.06 2q42A12 ILE 156 HG12 -0.03 -0.06 -0.09 -0.04 1.49 1.26 2q42A12 ILE 156 HG13 -0.05 0.09 -0.01 -0.04 1.21 1.19 2q42A12 ILE 156 HG23 -0.04 -0.02 -0.19 -0.04 0.93 0.64 2q42A12 ILE 156 HD13 -0.06 -0.03 -0.09 -0.04 0.88 0.65 2q42A12 THR 157 H -0.04 0.59 -0.03 -0.55 8.28 8.26 2q42A12 THR 157 HA -0.04 0.02 0.32 -0.75 4.39 3.94 2q42A12 THR 157 HB -0.02 -0.04 0.08 -0.04 4.32 4.29 2q42A12 THR 157 HG23 -0.01 0.02 -0.03 -0.04 1.22 1.16 2q42A12 SER 158 H -0.06 0.43 -0.56 -0.55 8.46 7.73 2q42A12 SER 158 HA -0.04 -0.00 0.41 -0.75 4.49 4.10 2q42A12 SER 158 HB2 -0.07 0.11 0.05 -0.04 3.95 3.99 2q42A12 SER 158 HB3 -0.05 -0.12 0.10 -0.04 3.93 3.82 2q42A12 LEU 159 H -0.09 0.38 -0.49 -0.55 8.37 7.63 2q42A12 LEU 159 HA -0.12 0.04 0.56 -0.75 4.35 4.07 2q42A12 LEU 159 HB2 -0.09 0.13 0.04 -0.04 1.64 1.67 2q42A12 LEU 159 HB3 -0.11 -0.08 0.06 -0.04 1.64 1.46 2q42A12 LEU 159 HG -0.23 0.23 0.06 -0.04 1.64 1.66 2q42A12 LEU 159 HD13 -0.35 -0.05 -0.08 -0.04 0.93 0.41 2q42A12 LEU 159 HD23 -0.66 -0.03 -0.07 -0.04 0.89 0.09 2q42A12 PRO 160 HA 0.00 0.07 0.38 -0.51 4.44 4.38 2q42A12 PRO 160 HB2 0.05 -0.04 -0.04 -0.04 2.28 2.21 2q42A12 PRO 160 HB3 0.03 0.01 0.09 -0.04 2.02 2.10 2q42A12 PRO 160 HG2 0.10 0.05 0.06 -0.04 2.03 2.20 2q42A12 PRO 160 HG3 0.04 0.07 0.08 -0.04 2.03 2.18 2q42A12 PRO 160 HD2 0.11 0.07 0.14 -0.04 3.68 3.95 2q42A12 PRO 160 HD3 0.01 0.17 0.20 -0.04 3.65 3.98 2q42A12 ASP 161 H -0.00 0.15 0.17 -0.55 8.40 8.17 2q42A12 ASP 161 HA -0.02 0.10 0.39 -0.75 4.63 4.35 2q42A12 ASP 161 HB2 -0.01 0.01 0.15 -0.04 2.71 2.81 2q42A12 ASP 161 HB3 -0.02 -0.03 0.02 -0.04 2.70 2.63 2q42A12 ASP 162 H 0.00 0.07 -0.33 -0.55 8.40 7.60 2q42A12 ASP 162 HA -0.02 0.14 0.68 -0.75 4.63 4.68 2q42A12 ASP 162 HB2 -0.00 0.06 0.15 -0.04 2.71 2.88 2q42A12 ASP 162 HB3 -0.00 -0.05 0.03 -0.04 2.70 2.64 2q42A12 THR 163 H 0.00 0.31 -0.54 -0.55 8.28 7.50 2q42A12 THR 163 HA 0.04 0.17 0.55 -0.75 4.39 4.39 2q42A12 THR 163 HB 0.02 -0.03 -0.02 -0.04 4.32 4.25 2q42A12 THR 163 HG23 0.14 0.01 -0.34 -0.04 1.22 0.99 2q42A12 SER 164 H -0.01 0.69 0.32 -0.55 8.46 8.92 2q42A12 SER 164 HA -0.14 0.20 0.65 -0.75 4.49 4.45 2q42A12 SER 164 HB2 -0.02 0.10 0.29 -0.04 3.95 4.28 2q42A12 SER 164 HB3 -0.39 -0.07 0.03 -0.04 3.93 3.46 2q42A12 ILE 165 H -0.25 0.76 0.26 -0.55 8.25 8.47 2q42A12 ILE 165 HA -0.13 0.25 0.86 -0.75 4.18 4.41 2q42A12 ILE 165 HB -0.08 -0.11 -0.11 -0.04 1.89 1.54 2q42A12 ILE 165 HG12 -0.04 0.02 -0.18 -0.04 1.49 1.25 2q42A12 ILE 165 HG13 -0.06 0.09 -0.45 -0.04 1.21 0.75 2q42A12 ILE 165 HG23 -0.01 -0.03 -0.28 -0.04 0.93 0.57 2q42A12 ILE 165 HD13 -0.03 -0.01 -0.35 -0.04 0.88 0.45 2q42A12 TYR 166 H -0.14 0.73 0.29 -0.55 8.29 8.61 2q42A12 TYR 166 HA -0.08 0.09 0.82 -0.75 4.56 4.63 2q42A12 TYR 166 HB2 -1.03 -0.04 0.13 -0.04 3.06 2.08 2q42A12 TYR 166 HB3 -1.22 0.07 0.00 -0.04 2.98 1.79 2q42A12 TYR 166 HD2 -0.53 0.00 -0.16 -0.04 7.15 6.42 2q42A12 TYR 166 HE2 -0.17 0.09 -0.08 -0.04 6.85 6.65 2q42A12 CYS 167 H 0.28 0.17 0.09 -0.55 8.50 8.50 2q42A12 CYS 167 HA 0.25 -0.03 0.78 -0.75 4.58 4.82 2q42A12 CYS 167 HB2 0.21 0.02 0.14 -0.04 2.97 3.30 2q42A12 CYS 167 HB3 0.13 0.18 0.06 -0.04 2.97 3.29 2q42A12 GLY 168 H 0.31 0.76 0.15 -0.55 8.43 9.10 2q42A12 GLY 168 HA2 0.27 0.06 0.31 -0.51 4.01 4.14 2q42A12 GLY 168 HA3 0.46 -0.08 0.15 -0.51 4.01 4.03 2q42A12 HIS 169 H 0.45 0.11 -0.16 -0.55 8.41 8.27 2q42A12 HIS 169 HA -0.37 0.44 1.01 -0.75 4.63 4.95 2q42A12 HIS 169 HB2 -1.79 -0.10 -0.18 -0.04 3.26 1.16 2q42A12 HIS 169 HB3 -1.38 0.05 -0.14 -0.04 3.20 1.70 2q42A12 HIS 169 HD2 0.47 -0.09 -0.28 -0.04 6.97 7.02 2q42A12 HIS 169 HE1 0.03 -0.05 -0.07 -0.04 7.75 7.61 2q42A12 GLU 170 H -0.35 0.61 0.16 -0.55 8.60 8.48 2q42A12 GLU 170 HA 0.15 -0.00 0.66 -0.75 4.29 4.35 2q42A12 GLU 170 HB2 -0.05 0.07 0.06 -0.04 2.09 2.13 2q42A12 GLU 170 HB3 -0.15 0.11 0.29 -0.04 1.99 2.20 2q42A12 GLU 170 HG2 0.13 0.12 0.04 -0.04 2.34 2.59 2q42A12 GLU 170 HG3 0.07 -0.04 0.06 -0.04 2.34 2.40 2q42A12 TYR 171 H 0.03 0.25 -0.06 -0.55 8.29 7.95 2q42A12 TYR 171 HA -0.06 0.27 0.84 -0.75 4.56 4.85 2q42A12 TYR 171 HB2 -0.27 0.02 -0.12 -0.04 3.06 2.65 2q42A12 TYR 171 HB3 -0.16 -0.00 0.03 -0.04 2.98 2.81 2q42A12 TYR 171 HD2 -0.88 0.07 -0.18 -0.04 7.15 6.12 2q42A12 TYR 171 HE2 -0.50 0.01 -0.12 -0.04 6.85 6.19 2q42A12 THR 172 H 0.13 0.08 -0.02 -0.55 8.28 7.92 2q42A12 THR 172 HA 0.14 0.23 0.28 -0.75 4.39 4.29 2q42A12 THR 172 HB 0.05 0.05 0.04 -0.04 4.32 4.41 2q42A12 THR 172 HG23 0.04 0.04 -0.08 -0.04 1.22 1.18 2q42A12 LEU 173 H 0.05 0.11 -0.25 -0.55 8.37 7.73 2q42A12 LEU 173 HA 0.00 0.11 0.34 -0.75 4.35 4.05 2q42A12 LEU 173 HB2 0.01 0.04 -0.01 -0.04 1.64 1.65 2q42A12 LEU 173 HB3 0.04 -0.02 0.00 -0.04 1.64 1.62 2q42A12 LEU 173 HG 0.03 0.00 -0.19 -0.04 1.64 1.44 2q42A12 LEU 173 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.85 2q42A12 LEU 173 HD23 0.01 0.02 -0.06 -0.04 0.89 0.83 2q42A12 SER 174 H 0.07 0.07 -0.19 -0.55 8.46 7.86 2q42A12 SER 174 HA 0.09 0.07 0.44 -0.75 4.49 4.34 2q42A12 SER 174 HB2 0.00 0.04 0.13 -0.04 3.95 4.09 2q42A12 SER 174 HB3 0.02 0.02 0.05 -0.04 3.93 3.98 2q42A12 ASN 175 H 0.09 0.56 -0.07 -0.55 8.53 8.56 2q42A12 ASN 175 HA 0.15 0.00 0.32 -0.75 4.76 4.48 2q42A12 ASN 175 HB2 0.16 0.11 -0.01 -0.04 2.88 3.09 2q42A12 ASN 175 HB3 0.21 0.11 -0.24 -0.04 2.79 2.83 2q42A12 ASN 175 HD21 0.18 -0.19 -0.29 -0.04 7.03 6.69 2q42A12 ASN 175 HD22 0.21 0.55 -0.19 -0.04 7.74 8.28 2q42A12 SER 176 H 0.08 0.73 -0.17 -0.55 8.46 8.56 2q42A12 SER 176 HA 0.07 -0.03 0.36 -0.75 4.49 4.13 2q42A12 SER 176 HB2 -0.00 -0.10 0.09 -0.04 3.95 3.90 2q42A12 SER 176 HB3 -0.00 0.15 0.14 -0.04 3.93 4.18 2q42A12 LYS 177 H 0.10 0.45 -0.32 -0.55 8.42 8.09 2q42A12 LYS 177 HA 0.06 0.03 0.48 -0.75 4.32 4.13 2q42A12 LYS 177 HB2 0.22 0.13 0.17 -0.04 1.87 2.35 2q42A12 LYS 177 HB3 0.21 -0.04 0.02 -0.04 1.79 1.94 2q42A12 LYS 177 HG2 0.07 -0.05 0.01 -0.04 1.46 1.45 2q42A12 LYS 177 HG3 0.07 0.15 0.08 -0.04 1.46 1.72 2q42A12 LYS 177 HD2 0.10 -0.00 0.02 -0.04 1.69 1.77 2q42A12 LYS 177 HD3 0.09 -0.03 0.00 -0.04 1.68 1.70 2q42A12 LYS 177 HE2 0.04 -0.02 -0.03 -0.04 2.99 2.94 2q42A12 LYS 177 HE3 0.04 0.02 -0.07 -0.04 2.99 2.93 2q42A12 PHE 178 H 0.15 0.37 -0.01 -0.55 8.34 8.29 2q42A12 PHE 178 HA -0.89 0.05 0.38 -0.75 4.62 3.41 2q42A12 PHE 178 HB2 -0.56 0.00 0.10 -0.04 3.15 2.65 2q42A12 PHE 178 HB3 -0.19 0.06 0.17 -0.04 3.06 3.06 2q42A12 PHE 178 HD2 -1.02 0.02 -0.05 -0.04 7.28 6.18 2q42A12 PHE 178 HE2 -0.25 -0.00 -0.15 -0.04 7.38 6.93 2q42A12 PHE 178 HZ -0.15 0.01 -0.06 -0.04 7.32 7.09 2q42A12 ALA 179 H 0.01 0.74 -0.07 -0.55 8.40 8.54 2q42A12 ALA 179 HA -0.31 -0.02 0.36 -0.75 4.34 3.61 2q42A12 ALA 179 HB3 0.00 0.04 0.14 -0.04 1.41 1.55 2q42A12 LEU 180 H -0.08 0.51 -0.22 -0.55 8.37 8.04 2q42A12 LEU 180 HA -0.08 -0.05 0.19 -0.75 4.35 3.66 2q42A12 LEU 180 HB2 -0.02 0.18 0.15 -0.04 1.64 1.90 2q42A12 LEU 180 HB3 -0.03 -0.06 -0.00 -0.04 1.64 1.51 2q42A12 LEU 180 HG -0.01 0.06 0.03 -0.04 1.64 1.68 2q42A12 LEU 180 HD13 0.01 -0.01 -0.03 -0.04 0.93 0.86 2q42A12 LEU 180 HD23 -0.01 -0.02 -0.08 -0.04 0.89 0.74 2q42A12 SER 181 H -0.23 0.45 -0.31 -0.55 8.46 7.82 2q42A12 SER 181 HA -0.08 -0.00 0.45 -0.75 4.49 4.11 2q42A12 SER 181 HB2 -0.03 -0.07 0.14 -0.04 3.95 3.95 2q42A12 SER 181 HB3 -0.08 0.01 0.13 -0.04 3.93 3.96 2q42A12 LEU 182 H -0.30 0.34 -0.59 -0.55 8.37 7.28 2q42A12 LEU 182 HA -0.20 0.20 0.98 -0.75 4.35 4.57 2q42A12 LEU 182 HB2 -0.33 0.06 0.06 -0.04 1.64 1.39 2q42A12 LEU 182 HB3 -0.25 -0.09 0.08 -0.04 1.64 1.34 2q42A12 LEU 182 HG -1.10 0.22 -0.08 -0.04 1.64 0.64 2q42A12 LEU 182 HD13 -0.46 -0.04 -0.06 -0.04 0.93 0.34 2q42A12 LEU 182 HD23 -0.37 0.02 -0.21 -0.04 0.89 0.29 2q42A12 GLU 183 H -0.15 0.36 0.06 -0.55 8.60 8.33 2q42A12 GLU 183 HA -0.08 0.09 0.75 -0.75 4.29 4.31 2q42A12 GLU 183 HB2 -0.10 0.03 -0.18 -0.04 2.09 1.80 2q42A12 GLU 183 HB3 -0.07 0.04 0.13 -0.04 1.99 2.04 2q42A12 GLU 183 HG2 -0.04 -0.16 0.03 -0.04 2.34 2.13 2q42A12 GLU 183 HG3 -0.05 -0.06 0.01 -0.04 2.34 2.20 2q42A12 PRO 184 HA -0.03 0.06 0.46 -0.51 4.44 4.43 2q42A12 PRO 184 HB2 -0.02 -0.05 0.02 -0.04 2.28 2.19 2q42A12 PRO 184 HB3 -0.03 0.22 0.13 -0.04 2.02 2.29 2q42A12 PRO 184 HG2 -0.03 -0.10 -0.00 -0.04 2.03 1.85 2q42A12 PRO 184 HG3 -0.04 0.08 -0.01 -0.04 2.03 2.02 2q42A12 PRO 184 HD2 -0.07 0.15 -0.28 -0.04 3.68 3.44 2q42A12 PRO 184 HD3 -0.08 0.42 -0.19 -0.04 3.65 3.75 2q42A12 ASN 185 H -0.03 0.11 -0.35 -0.55 8.53 7.72 2q42A12 ASN 185 HA -0.01 0.16 0.49 -0.75 4.76 4.64 2q42A12 ASN 185 HB2 -0.02 -0.02 0.02 -0.04 2.88 2.82 2q42A12 ASN 185 HB3 -0.01 -0.02 0.14 -0.04 2.79 2.86 2q42A12 ASN 185 HD21 -0.02 0.04 -0.02 -0.04 7.03 6.99 2q42A12 ASN 185 HD22 -0.02 -0.02 -0.00 -0.04 7.74 7.65 2q42A12 ASN 186 H -0.02 0.49 -0.50 -0.55 8.53 7.95 2q42A12 ASN 186 HA -0.01 0.06 0.68 -0.75 4.76 4.73 2q42A12 ASN 186 HB2 -0.02 0.02 0.11 -0.04 2.88 2.95 2q42A12 ASN 186 HB3 -0.01 0.18 0.26 -0.04 2.79 3.18 2q42A12 ASN 186 HD21 -0.01 0.59 0.25 -0.04 7.03 7.82 2q42A12 ASN 186 HD22 -0.02 -0.00 0.09 -0.04 7.74 7.77 2q42A12 GLU 187 H -0.00 0.27 0.19 -0.55 8.60 8.52 2q42A12 GLU 187 HA 0.01 0.14 0.44 -0.75 4.29 4.13 2q42A12 GLU 187 HB2 0.00 -0.01 0.04 -0.04 2.09 2.09 2q42A12 GLU 187 HB3 0.01 0.01 0.08 -0.04 1.99 2.04 2q42A12 GLU 187 HG2 0.00 0.04 0.00 -0.04 2.34 2.35 2q42A12 GLU 187 HG3 -0.00 0.11 0.10 -0.04 2.34 2.51 2q42A12 VAL 188 H 0.01 0.12 -0.13 -0.55 8.24 7.68 2q42A12 VAL 188 HA 0.02 0.11 0.57 -0.75 4.13 4.08 2q42A12 VAL 188 HB 0.00 0.07 0.02 -0.04 2.12 2.17 2q42A12 VAL 188 HG13 -0.02 0.01 -0.08 -0.04 0.97 0.84 2q42A12 VAL 188 HG23 -0.01 0.00 0.03 -0.04 0.95 0.94 2q42A12 LEU 189 H 0.03 0.10 -0.24 -0.55 8.37 7.72 2q42A12 LEU 189 HA 0.13 0.03 0.42 -0.75 4.35 4.17 2q42A12 LEU 189 HB2 0.04 0.04 0.15 -0.04 1.64 1.83 2q42A12 LEU 189 HB3 0.02 0.17 0.18 -0.04 1.64 1.97 2q42A12 LEU 189 HG 0.03 -0.01 -0.19 -0.04 1.64 1.43 2q42A12 LEU 189 HD13 0.10 0.02 0.07 -0.04 0.93 1.09 2q42A12 LEU 189 HD23 -0.02 0.04 -0.11 -0.04 0.89 0.76 2q42A12 GLN 190 H 0.03 0.40 -0.13 -0.55 8.47 8.23 2q42A12 GLN 190 HA 0.03 0.06 0.34 -0.75 4.36 4.04 2q42A12 GLN 190 HB2 0.02 0.03 0.18 -0.04 2.15 2.34 2q42A12 GLN 190 HB3 0.02 -0.03 0.01 -0.04 2.02 1.98 2q42A12 GLN 190 HG2 0.01 -0.01 0.05 -0.04 2.40 2.40 2q42A12 GLN 190 HG3 0.01 0.21 0.01 -0.04 2.39 2.57 2q42A12 GLN 190 HE21 -0.00 -0.11 -0.05 -0.04 6.97 6.77 2q42A12 GLN 190 HE22 -0.00 0.33 -0.06 -0.04 7.69 7.91 2q42A12 SER 191 H 0.05 0.50 -0.16 -0.55 8.46 8.31 2q42A12 SER 191 HA 0.05 0.03 0.43 -0.75 4.49 4.25 2q42A12 SER 191 HB2 0.06 0.05 0.14 -0.04 3.95 4.16 2q42A12 SER 191 HB3 0.05 -0.04 0.05 -0.04 3.93 3.94 2q42A12 TYR 192 H 0.18 0.61 -0.14 -0.55 8.29 8.39 2q42A12 TYR 192 HA 0.07 0.03 0.49 -0.75 4.56 4.40 2q42A12 TYR 192 HB2 0.03 0.02 0.10 -0.04 3.06 3.16 2q42A12 TYR 192 HB3 0.03 0.06 0.12 -0.04 2.98 3.15 2q42A12 TYR 192 HD2 0.07 0.03 -0.02 -0.04 7.15 7.18 2q42A12 TYR 192 HE2 0.08 0.00 -0.06 -0.04 6.85 6.83 2q42A12 ALA 193 H 0.08 0.81 -0.08 -0.55 8.40 8.66 2q42A12 ALA 193 HA -0.17 -0.03 0.44 -0.75 4.34 3.82 2q42A12 ALA 193 HB3 0.01 0.02 0.09 -0.04 1.41 1.48 2q42A12 ALA 194 H 0.03 0.57 -0.18 -0.55 8.40 8.27 2q42A12 ALA 194 HA 0.00 0.02 0.49 -0.75 4.34 4.10 2q42A12 ALA 194 HB3 0.03 0.01 0.10 -0.04 1.41 1.52 2q42A12 HIS 195 H 0.12 0.64 -0.08 -0.55 8.41 8.54 2q42A12 HIS 195 HA -0.00 -0.00 0.49 -0.75 4.63 4.36 2q42A12 HIS 195 HB2 0.04 0.02 0.14 -0.04 3.26 3.42 2q42A12 HIS 195 HB3 0.03 0.09 0.18 -0.04 3.20 3.45 2q42A12 HIS 195 HD2 0.10 0.01 -0.07 -0.04 6.97 6.97 2q42A12 HIS 195 HE1 0.02 0.01 -0.01 -0.04 7.75 7.72 2q42A12 VAL 196 H -0.15 0.61 -0.20 -0.55 8.24 7.95 2q42A12 VAL 196 HA -0.21 0.01 0.39 -0.75 4.13 3.57 2q42A12 VAL 196 HB -0.24 0.17 0.16 -0.04 2.12 2.17 2q42A12 VAL 196 HG13 -0.10 -0.03 -0.26 -0.04 0.97 0.54 2q42A12 VAL 196 HG23 -0.63 0.02 0.01 -0.04 0.95 0.30 2q42A12 ALA 197 H -0.08 0.51 -0.22 -0.55 8.40 8.06 2q42A12 ALA 197 HA -0.04 -0.04 0.39 -0.75 4.34 3.90 2q42A12 ALA 197 HB3 -0.02 0.05 0.10 -0.04 1.41 1.50 2q42A12 GLU 198 H -0.08 0.40 -0.24 -0.55 8.60 8.14 2q42A12 GLU 198 HA -0.04 0.00 0.35 -0.75 4.29 3.85 2q42A12 GLU 198 HB2 -0.16 0.16 0.18 -0.04 2.09 2.24 2q42A12 GLU 198 HB3 -0.05 -0.05 -0.01 -0.04 1.99 1.85 2q42A12 GLU 198 HG2 0.00 -0.05 0.03 -0.04 2.34 2.28 2q42A12 GLU 198 HG3 0.00 0.16 0.07 -0.04 2.34 2.53 2q42A12 LEU 199 H -0.23 0.55 -0.07 -0.55 8.37 8.07 2q42A12 LEU 199 HA -0.09 0.00 0.34 -0.75 4.35 3.85 2q42A12 LEU 199 HB2 -0.14 0.01 0.17 -0.04 1.64 1.64 2q42A12 LEU 199 HB3 -0.07 0.26 -0.04 -0.04 1.64 1.75 2q42A12 LEU 199 HG -0.58 0.06 0.04 -0.04 1.64 1.12 2q42A12 LEU 199 HD13 -0.08 0.01 -0.02 -0.04 0.93 0.79 2q42A12 LEU 199 HD23 -0.06 -0.01 -0.02 -0.04 0.89 0.76 2q42A12 ARG 200 H -0.06 0.66 -0.04 -0.55 8.46 8.46 2q42A12 ARG 200 HA -0.00 -0.03 0.43 -0.75 4.34 3.98 2q42A12 ARG 200 HB2 -0.02 0.09 0.08 -0.04 1.90 2.01 2q42A12 ARG 200 HB3 0.00 -0.07 0.08 -0.04 1.80 1.77 2q42A12 ARG 200 HG2 -0.03 0.22 0.07 -0.04 1.67 1.89 2q42A12 ARG 200 HG3 0.01 -0.20 -0.02 -0.04 1.67 1.42 2q42A12 ARG 200 HD2 0.02 0.27 -0.16 -0.04 3.22 3.31 2q42A12 ARG 200 HD3 0.05 -0.19 -0.05 -0.04 3.22 2.98 2q42A12 SER 201 H -0.03 0.42 -0.55 -0.55 8.46 7.74 2q42A12 SER 201 HA -0.00 0.02 0.62 -0.75 4.49 4.37 2q42A12 SER 201 HB2 -0.01 0.11 0.10 -0.04 3.95 4.11 2q42A12 SER 201 HB3 -0.02 0.09 0.10 -0.04 3.93 4.07 2q42A12 LYS 202 H -0.02 0.44 -0.21 -0.55 8.42 8.08 2q42A12 LYS 202 HA 0.00 0.14 0.83 -0.75 4.32 4.54 2q42A12 LYS 202 HB2 0.00 -0.05 0.17 -0.04 1.87 1.95 2q42A12 LYS 202 HB3 -0.00 -0.04 0.02 -0.04 1.79 1.72 2q42A12 LYS 202 HG2 -0.02 0.21 0.13 -0.04 1.46 1.74 2q42A12 LYS 202 HG3 -0.01 -0.02 0.01 -0.04 1.46 1.41 2q42A12 LYS 202 HD2 0.00 -0.05 0.01 -0.04 1.69 1.62 2q42A12 LYS 202 HD3 -0.00 -0.03 -0.01 -0.04 1.68 1.60 2q42A12 LYS 202 HE2 -0.02 0.01 -0.13 -0.04 2.99 2.81 2q42A12 LYS 202 HE3 -0.00 0.00 -0.03 -0.04 2.99 2.92 2q42A12 LYS 203 H 0.00 0.22 -0.40 -0.55 8.42 7.69 2q42A12 LYS 203 HA 0.02 -0.01 0.29 -0.75 4.32 3.87 2q42A12 LYS 203 HB2 0.01 0.15 -0.10 -0.04 1.87 1.90 2q42A12 LYS 203 HB3 0.02 -0.06 0.16 -0.04 1.79 1.87 2q42A12 LYS 203 HG2 0.01 0.03 -0.02 -0.04 1.46 1.44 2q42A12 LYS 203 HG3 0.01 0.01 -0.25 -0.04 1.46 1.19 2q42A12 LYS 203 HD2 0.01 -0.00 -0.05 -0.04 1.69 1.61 2q42A12 LYS 203 HD3 0.01 -0.03 -0.00 -0.04 1.68 1.62 2q42A12 LYS 203 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.95 2q42A12 LYS 203 HE3 0.01 0.03 -0.02 -0.04 2.99 2.96 2q42A12 LEU 204 H 0.01 0.42 -0.12 -0.55 8.37 8.13 2q42A12 LEU 204 HA 0.03 0.22 1.01 -0.75 4.35 4.85 2q42A12 LEU 204 HB2 -0.01 -0.07 0.05 -0.04 1.64 1.56 2q42A12 LEU 204 HB3 0.01 0.03 -0.00 -0.04 1.64 1.64 2q42A12 LEU 204 HG 0.01 0.22 -0.36 -0.04 1.64 1.46 2q42A12 LEU 204 HD13 0.00 -0.04 -0.02 -0.04 0.93 0.84 2q42A12 LEU 204 HD23 0.02 0.02 0.06 -0.04 0.89 0.95 2q42A12 PRO 205 HA 0.14 -0.06 0.36 -0.51 4.44 4.37 2q42A12 PRO 205 HB2 -0.07 0.17 -0.02 -0.04 2.28 2.31 2q42A12 PRO 205 HB3 -0.22 -0.07 0.10 -0.04 2.02 1.79 2q42A12 PRO 205 HG2 -0.03 0.08 0.07 -0.04 2.03 2.10 2q42A12 PRO 205 HG3 0.11 0.03 0.06 -0.04 2.03 2.19 2q42A12 PRO 205 HD2 0.02 0.13 0.18 -0.04 3.68 3.96 2q42A12 PRO 205 HD3 0.05 0.25 0.22 -0.04 3.65 4.13 2q42A12 THR 206 H 0.11 0.00 0.17 -0.55 8.28 8.01 2q42A12 THR 206 HA 0.04 0.29 0.78 -0.75 4.39 4.75 2q42A12 THR 206 HB 0.06 0.01 0.16 -0.04 4.32 4.50 2q42A12 THR 206 HG23 -0.01 0.01 -0.02 -0.04 1.22 1.16 2q42A12 ILE 207 H -0.03 0.10 -0.11 -0.55 8.25 7.67 2q42A12 ILE 207 HA -0.02 0.04 0.60 -0.75 4.18 4.05 2q42A12 ILE 207 HB -0.18 0.03 0.04 -0.04 1.89 1.74 2q42A12 ILE 207 HG12 0.32 0.04 -0.03 -0.04 1.49 1.78 2q42A12 ILE 207 HG13 0.14 0.01 -0.04 -0.04 1.21 1.28 2q42A12 ILE 207 HG23 0.07 0.05 0.07 -0.04 0.93 1.08 2q42A12 ILE 207 HD13 0.24 -0.08 -0.20 -0.04 0.88 0.80 2q42A12 PRO 208 HA -0.33 0.05 0.51 -0.51 4.44 4.16 2q42A12 PRO 208 HB2 -0.59 0.07 -0.01 -0.04 2.28 1.72 2q42A12 PRO 208 HB3 -1.90 -0.04 -0.05 -0.04 2.02 -0.01 2q42A12 PRO 208 HG2 -0.18 0.02 0.03 -0.04 2.03 1.86 2q42A12 PRO 208 HG3 -0.22 0.05 0.06 -0.04 2.03 1.88 2q42A12 PRO 208 HD2 -0.05 0.14 0.15 -0.04 3.68 3.89 2q42A12 PRO 208 HD3 0.00 0.08 0.28 -0.04 3.65 3.97 2q42A12 THR 209 H -0.15 0.34 0.32 -0.55 8.28 8.25 2q42A12 THR 209 HA -0.03 0.27 0.89 -0.75 4.39 4.76 2q42A12 THR 209 HB 0.09 0.07 0.12 -0.04 4.32 4.55 2q42A12 THR 209 HG23 0.01 -0.00 -0.06 -0.04 1.22 1.13 2q42A12 THR 210 H -0.10 0.12 0.20 -0.55 8.28 7.95 2q42A12 THR 210 HA -0.09 0.42 1.05 -0.75 4.39 5.03 2q42A12 THR 210 HB -0.06 0.16 0.08 -0.04 4.32 4.46 2q42A12 THR 210 HG23 -0.07 0.03 -0.27 -0.04 1.22 0.87 2q42A12 VAL 211 H -0.04 0.54 0.18 -0.55 8.24 8.38 2q42A12 VAL 211 HA -0.03 0.01 0.32 -0.75 4.13 3.66 2q42A12 VAL 211 HB -0.02 0.03 0.17 -0.04 2.12 2.25 2q42A12 VAL 211 HG13 -0.03 0.04 -0.17 -0.04 0.97 0.77 2q42A12 VAL 211 HG23 -0.03 0.03 -0.11 -0.04 0.95 0.80 2q42A12 LYS 212 H -0.04 0.48 0.08 -0.55 8.42 8.39 2q42A12 LYS 212 HA -0.04 0.06 0.37 -0.75 4.32 3.95 2q42A12 LYS 212 HB2 -0.04 0.05 0.14 -0.04 1.87 1.98 2q42A12 LYS 212 HB3 -0.06 -0.05 0.08 -0.04 1.79 1.73 2q42A12 LYS 212 HG2 -0.05 -0.01 -0.20 -0.04 1.46 1.15 2q42A12 LYS 212 HG3 -0.04 -0.01 0.03 -0.04 1.46 1.41 2q42A12 LYS 212 HD2 -0.03 -0.01 -0.02 -0.04 1.69 1.59 2q42A12 LYS 212 HD3 -0.04 0.02 -0.04 -0.04 1.68 1.58 2q42A12 LYS 212 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.86 2q42A12 LYS 212 HE3 -0.03 -0.00 -0.01 -0.04 2.99 2.91 2q42A12 MET 213 H -0.10 0.10 -0.29 -0.55 8.47 7.64 2q42A12 MET 213 HA -0.13 0.05 0.38 -0.75 4.52 4.06 2q42A12 MET 213 HB2 -0.23 0.02 0.09 -0.04 2.15 1.98 2q42A12 MET 213 HB3 -0.22 -0.02 0.13 -0.04 2.03 1.88 2q42A12 MET 213 HG2 -1.04 0.03 -0.02 -0.04 2.63 1.56 2q42A12 MET 213 HG3 -0.43 -0.04 -0.20 -0.04 2.56 1.85 2q42A12 MET 213 HE3 -0.26 0.01 -0.01 -0.04 2.10 1.80 2q42A12 GLU 214 H -0.06 0.55 -0.04 -0.55 8.60 8.50 2q42A12 GLU 214 HA -0.00 -0.06 0.45 -0.75 4.29 3.93 2q42A12 GLU 214 HB2 -0.01 0.12 0.05 -0.04 2.09 2.21 2q42A12 GLU 214 HB3 0.03 -0.05 0.10 -0.04 1.99 2.04 2q42A12 GLU 214 HG2 -0.03 0.17 0.04 -0.04 2.34 2.48 2q42A12 GLU 214 HG3 0.02 0.03 -0.07 -0.04 2.34 2.28 2q42A12 LYS 215 H -0.03 0.54 -0.35 -0.55 8.42 8.02 2q42A12 LYS 215 HA -0.01 0.04 0.45 -0.75 4.32 4.05 2q42A12 LYS 215 HB2 -0.03 0.18 0.26 -0.04 1.87 2.24 2q42A12 LYS 215 HB3 -0.02 -0.06 0.03 -0.04 1.79 1.70 2q42A12 LYS 215 HG2 -0.02 -0.03 0.01 -0.04 1.46 1.38 2q42A12 LYS 215 HG3 -0.03 0.36 -0.00 -0.04 1.46 1.75 2q42A12 LYS 215 HD2 -0.02 0.02 -0.16 -0.04 1.69 1.49 2q42A12 LYS 215 HD3 -0.03 -0.13 -0.08 -0.04 1.68 1.40 2q42A12 LYS 215 HE2 -0.02 -0.02 0.01 -0.04 2.99 2.91 2q42A12 LYS 215 HE3 -0.02 0.03 -0.01 -0.04 2.99 2.96 2q42A12 ALA 216 H -0.03 0.38 -0.01 -0.55 8.40 8.19 2q42A12 ALA 216 HA -0.01 0.19 0.63 -0.75 4.34 4.39 2q42A12 ALA 216 HB3 -0.02 -0.02 0.08 -0.04 1.41 1.41 2q42A12 CYS 217 H -0.01 0.17 -0.40 -0.55 8.50 7.71 2q42A12 CYS 217 HA 0.01 0.23 1.17 -0.75 4.58 5.24 2q42A12 CYS 217 HB2 -0.00 0.12 0.00 -0.04 2.97 3.04 2q42A12 CYS 217 HB3 0.11 -0.06 -0.01 -0.04 2.97 2.97 2q42A12 ASN 218 H 0.03 0.31 -0.02 -0.55 8.53 8.31 2q42A12 ASN 218 HA 0.11 0.17 0.60 -0.75 4.76 4.89 2q42A12 ASN 218 HB2 0.14 -0.19 0.10 -0.04 2.88 2.88 2q42A12 ASN 218 HB3 0.08 0.40 0.26 -0.04 2.79 3.48 2q42A12 ASN 218 HD21 0.65 -0.01 -0.35 -0.04 7.03 7.29 2q42A12 ASN 218 HD22 0.37 0.35 -0.56 -0.04 7.74 7.86 2q42A12 PRO 219 HA -0.09 0.07 0.19 -0.51 4.44 4.10 2q42A12 PRO 219 HB2 -0.33 0.02 -0.08 -0.04 2.28 1.86 2q42A12 PRO 219 HB3 -0.19 0.09 0.04 -0.04 2.02 1.91 2q42A12 PRO 219 HG2 -0.18 -0.02 0.03 -0.04 2.03 1.81 2q42A12 PRO 219 HG3 -0.07 0.07 0.05 -0.04 2.03 2.04 2q42A12 PRO 219 HD2 0.12 0.23 0.28 -0.04 3.68 4.27 2q42A12 PRO 219 HD3 -0.00 0.23 0.25 -0.04 3.65 4.09 2q42A12 PHE 220 H 0.16 0.13 -0.49 -0.55 8.34 7.59 2q42A12 PHE 220 HA 0.03 0.12 0.48 -0.75 4.62 4.50 2q42A12 PHE 220 HB2 0.03 0.03 -0.18 -0.04 3.15 2.98 2q42A12 PHE 220 HB3 0.01 -0.01 -0.02 -0.04 3.06 3.00 2q42A12 PHE 220 HD2 0.05 0.01 -0.11 -0.04 7.28 7.19 2q42A12 PHE 220 HE2 0.04 0.02 -0.03 -0.04 7.38 7.37 2q42A12 PHE 220 HZ -0.05 0.06 -0.12 -0.04 7.32 7.16 2q42A12 LEU 221 H 0.08 0.62 -0.32 -0.55 8.37 8.20 2q42A12 LEU 221 HA 0.05 0.10 0.79 -0.75 4.35 4.54 2q42A12 LEU 221 HB2 0.04 0.29 0.15 -0.04 1.64 2.08 2q42A12 LEU 221 HB3 0.02 -0.03 0.19 -0.04 1.64 1.77 2q42A12 LEU 221 HG 0.08 -0.14 -0.25 -0.04 1.64 1.29 2q42A12 LEU 221 HD13 0.02 0.02 -0.15 -0.04 0.93 0.78 2q42A12 LEU 221 HD23 0.02 0.00 -0.07 -0.04 0.89 0.80 2q42A12 ARG 222 H -0.01 0.34 -0.36 -0.55 8.46 7.88 2q42A12 ARG 222 HA -0.01 0.18 0.87 -0.75 4.34 4.63 2q42A12 ARG 222 HB2 -0.04 -0.00 -0.12 -0.04 1.90 1.70 2q42A12 ARG 222 HB3 -0.03 -0.12 0.10 -0.04 1.80 1.71 2q42A12 ARG 222 HG2 -0.01 0.15 -0.16 -0.04 1.67 1.61 2q42A12 ARG 222 HG3 -0.00 0.11 -0.45 -0.04 1.67 1.29 2q42A12 ARG 222 HD2 -0.01 -0.26 -0.96 -0.04 3.22 1.96 2q42A12 ARG 222 HD3 -0.01 -0.08 -0.76 -0.04 3.22 2.33 2q42A12 SER 223 H -0.01 0.18 -0.19 -0.55 8.46 7.89 2q42A12 SER 223 HA -0.06 0.14 0.28 -0.75 4.49 4.10 2q42A12 SER 223 HB2 -0.02 0.00 -0.06 -0.04 3.95 3.83 2q42A12 SER 223 HB3 -0.03 0.11 -0.01 -0.04 3.93 3.96 2q42A12 SER 224 H -0.02 0.04 -0.60 -0.55 8.46 7.33 2q42A12 SER 224 HA -0.02 0.22 0.65 -0.75 4.49 4.59 2q42A12 SER 224 HB2 -0.01 0.01 0.04 -0.04 3.95 3.95 2q42A12 SER 224 HB3 -0.01 -0.05 -0.05 -0.04 3.93 3.78 2q42A12 ASN 225 H -0.03 0.54 -0.06 -0.55 8.53 8.44 2q42A12 ASN 225 HA -0.02 -0.00 0.44 -0.75 4.76 4.42 2q42A12 ASN 225 HB2 -0.03 0.08 0.16 -0.04 2.88 3.05 2q42A12 ASN 225 HB3 -0.05 0.10 0.13 -0.04 2.79 2.94 2q42A12 ASN 225 HD21 -0.03 -0.01 0.04 -0.04 7.03 6.99 2q42A12 ASN 225 HD22 -0.03 0.07 0.07 -0.04 7.74 7.82 2q42A12 THR 226 H -0.02 0.12 0.23 -0.55 8.28 8.07 2q42A12 THR 226 HA -0.02 0.17 0.42 -0.75 4.39 4.20 2q42A12 THR 226 HB -0.02 -0.06 0.17 -0.04 4.32 4.37 2q42A12 THR 226 HG23 -0.02 0.01 -0.06 -0.04 1.22 1.12 2q42A12 ASP 227 H -0.03 0.07 -0.02 -0.55 8.40 7.87 2q42A12 ASP 227 HA -0.03 0.09 0.43 -0.75 4.63 4.36 2q42A12 ASP 227 HB2 -0.04 -0.04 0.06 -0.04 2.71 2.65 2q42A12 ASP 227 HB3 -0.04 0.12 0.04 -0.04 2.70 2.78 2q42A12 ILE 228 H -0.05 -0.03 -0.38 -0.55 8.25 7.24 2q42A12 ILE 228 HA -0.10 0.32 0.55 -0.75 4.18 4.19 2q42A12 ILE 228 HB -0.07 0.09 -0.00 -0.04 1.89 1.87 2q42A12 ILE 228 HG12 -0.12 0.10 -0.23 -0.04 1.49 1.19 2q42A12 ILE 228 HG13 -0.07 -0.16 -0.06 -0.04 1.21 0.88 2q42A12 ILE 228 HG23 -0.11 0.00 -0.22 -0.04 0.93 0.56 2q42A12 ILE 228 HD13 -0.09 0.03 -0.09 -0.04 0.88 0.69 2q42A12 ARG 229 H -0.04 0.41 -0.20 -0.55 8.46 8.08 2q42A12 ARG 229 HA -0.04 0.06 0.48 -0.75 4.34 4.09 2q42A12 ARG 229 HB2 -0.02 0.00 0.10 -0.04 1.90 1.94 2q42A12 ARG 229 HB3 -0.02 0.13 -0.01 -0.04 1.80 1.85 2q42A12 ARG 229 HG2 -0.03 -0.04 -0.01 -0.04 1.67 1.55 2q42A12 ARG 229 HG3 -0.03 0.14 -0.17 -0.04 1.67 1.56 2q42A12 ARG 229 HD2 -0.02 -0.08 -0.08 -0.04 3.22 3.00 2q42A12 ARG 229 HD3 -0.01 0.05 -0.16 -0.04 3.22 3.06 2q42A12 ARG 230 H -0.03 0.56 -0.03 -0.55 8.46 8.40 2q42A12 ARG 230 HA -0.02 0.01 0.55 -0.75 4.34 4.12 2q42A12 ARG 230 HB2 -0.02 -0.02 0.12 -0.04 1.90 1.94 2q42A12 ARG 230 HB3 -0.03 0.08 0.11 -0.04 1.80 1.92 2q42A12 ARG 230 HG2 -0.02 0.05 -0.14 -0.04 1.67 1.53 2q42A12 ARG 230 HG3 -0.01 -0.04 0.07 -0.04 1.67 1.65 2q42A12 ARG 230 HD2 -0.01 -0.01 -0.01 -0.04 3.22 3.15 2q42A12 ARG 230 HD3 -0.01 -0.04 0.01 -0.04 3.22 3.13 2q42A12 ALA 231 H -0.05 0.36 -0.34 -0.55 8.40 7.83 2q42A12 ALA 231 HA -0.03 -0.01 0.44 -0.75 4.34 3.98 2q42A12 ALA 231 HB3 -0.09 0.07 0.20 -0.04 1.41 1.55 2q42A12 LEU 232 H -0.04 0.25 -0.40 -0.55 8.37 7.64 2q42A12 LEU 232 HA 0.00 0.19 0.80 -0.75 4.35 4.58 2q42A12 LEU 232 HB2 -0.02 0.02 -0.00 -0.04 1.64 1.60 2q42A12 LEU 232 HB3 0.01 -0.05 0.06 -0.04 1.64 1.63 2q42A12 LEU 232 HG -0.07 0.03 -0.17 -0.04 1.64 1.40 2q42A12 LEU 232 HD13 0.03 -0.01 -0.08 -0.04 0.93 0.82 2q42A12 LEU 232 HD23 0.04 0.04 -0.09 -0.04 0.89 0.83 2q42A12 ARG 233 H -0.01 0.34 -0.38 -0.55 8.46 7.86 2q42A12 ARG 233 HA -0.01 -0.03 0.29 -0.75 4.34 3.85 2q42A12 ARG 233 HB2 0.00 0.02 -0.07 -0.04 1.90 1.81 2q42A12 ARG 233 HB3 0.01 0.12 0.12 -0.04 1.80 2.00 2q42A12 ARG 233 HG2 0.00 -0.05 0.09 -0.04 1.67 1.67 2q42A12 ARG 233 HG3 -0.00 -0.03 0.01 -0.04 1.67 1.61 2q42A12 ARG 233 HD2 0.00 0.03 0.00 -0.04 3.22 3.21 2q42A12 ARG 233 HD3 0.01 -0.02 0.03 -0.04 3.22 3.19 2q42A12 ILE 234 H -0.01 0.80 -0.02 -0.55 8.25 8.47 2q42A12 ILE 234 HA -0.00 0.13 0.68 -0.75 4.18 4.24 2q42A12 ILE 234 HB -0.02 -0.10 0.14 -0.04 1.89 1.87 2q42A12 ILE 234 HG12 -0.00 0.01 -0.09 -0.04 1.49 1.37 2q42A12 ILE 234 HG13 -0.01 0.00 -0.17 -0.04 1.21 0.99 2q42A12 ILE 234 HG23 -0.01 0.02 -0.09 -0.04 0.93 0.82 2q42A12 ILE 234 HD13 -0.03 -0.02 -0.02 -0.04 0.88 0.77 2q42A12 PRO 235 HA -0.00 0.05 0.41 -0.51 4.44 4.39 2q42A12 PRO 235 HB2 -0.00 -0.10 -0.02 -0.04 2.28 2.12 2q42A12 PRO 235 HB3 -0.00 -0.01 0.08 -0.04 2.02 2.05 2q42A12 PRO 235 HG2 0.00 0.01 0.06 -0.04 2.03 2.06 2q42A12 PRO 235 HG3 0.00 0.09 0.03 -0.04 2.03 2.12 2q42A12 PRO 235 HD2 0.00 -0.01 0.17 -0.04 3.68 3.81 2q42A12 PRO 235 HD3 0.00 0.50 0.32 -0.04 3.65 4.43 2q42A12 GLU 236 H -0.00 0.12 0.17 -0.55 8.60 8.34 2q42A12 GLU 236 HA -0.01 0.18 0.42 -0.75 4.29 4.14 2q42A12 GLU 236 HB2 -0.00 -0.06 0.09 -0.04 2.09 2.08 2q42A12 GLU 236 HB3 -0.01 0.02 0.03 -0.04 1.99 1.99 2q42A12 GLU 236 HG2 -0.01 0.06 0.06 -0.04 2.34 2.41 2q42A12 GLU 236 HG3 -0.01 -0.01 0.09 -0.04 2.34 2.38 2q42A12 ALA 237 H -0.00 -0.00 -0.30 -0.55 8.40 7.55 2q42A12 ALA 237 HA -0.00 0.12 0.42 -0.75 4.34 4.13 2q42A12 ALA 237 HB3 -0.00 -0.01 0.02 -0.04 1.41 1.38 2q42A12 ALA 238 H -0.00 0.47 -0.60 -0.55 8.40 7.73 2q42A12 ALA 238 HA 0.00 -0.02 0.63 -0.75 4.34 4.19 2q42A12 ALA 238 HB3 0.00 0.00 -0.02 -0.04 1.41 1.35 2q42A12 ASP 239 H 0.00 -0.01 0.15 -0.55 8.40 7.99 2q42A12 ASP 239 HA -0.00 0.27 0.56 -0.75 4.63 4.71 2q42A12 ASP 239 HB2 0.00 -0.07 0.18 -0.04 2.71 2.78 2q42A12 ASP 239 HB3 0.00 0.15 0.09 -0.04 2.70 2.91 2q42A12 GLU 240 H 0.00 0.19 0.12 -0.55 8.60 8.36 2q42A12 GLU 240 HA 0.01 0.19 0.28 -0.75 4.29 4.02 2q42A12 GLU 240 HB2 0.00 -0.00 0.12 -0.04 2.09 2.17 2q42A12 GLU 240 HB3 0.01 0.04 -0.11 -0.04 1.99 1.88 2q42A12 GLU 240 HG2 0.01 -0.02 -0.07 -0.04 2.34 2.22 2q42A12 GLU 240 HG3 0.00 0.04 -0.06 -0.04 2.34 2.28 2q42A12 ALA 241 H 0.01 0.10 -0.08 -0.55 8.40 7.88 2q42A12 ALA 241 HA 0.02 0.15 0.37 -0.75 4.34 4.13 2q42A12 ALA 241 HB3 0.01 -0.00 0.01 -0.04 1.41 1.38 2q42A12 GLU 242 H 0.01 0.03 -0.30 -0.55 8.60 7.80 2q42A12 GLU 242 HA 0.02 0.06 0.44 -0.75 4.29 4.05 2q42A12 GLU 242 HB2 0.01 0.00 0.09 -0.04 2.09 2.15 2q42A12 GLU 242 HB3 0.01 0.10 -0.01 -0.04 1.99 2.05 2q42A12 GLU 242 HG2 0.01 0.06 0.02 -0.04 2.34 2.39 2q42A12 GLU 242 HG3 0.01 -0.11 0.01 -0.04 2.34 2.20 2q42A12 ALA 243 H 0.01 0.54 -0.19 -0.55 8.40 8.22 2q42A12 ALA 243 HA 0.01 0.07 0.39 -0.75 4.34 4.05 2q42A12 ALA 243 HB3 -0.00 0.03 -0.00 -0.04 1.41 1.39 2q42A12 LEU 244 H 0.03 0.54 -0.28 -0.55 8.37 8.12 2q42A12 LEU 244 HA 0.08 0.06 0.47 -0.75 4.35 4.20 2q42A12 LEU 244 HB2 0.08 0.08 0.13 -0.04 1.64 1.89 2q42A12 LEU 244 HB3 0.07 0.02 0.19 -0.04 1.64 1.88 2q42A12 LEU 244 HG 0.39 -0.04 0.03 -0.04 1.64 1.99 2q42A12 LEU 244 HD13 0.09 0.02 -0.02 -0.04 0.93 0.98 2q42A12 LEU 244 HD23 0.09 -0.01 -0.23 -0.04 0.89 0.69 2q42A12 GLY 245 H 0.05 0.50 -0.05 -0.55 8.43 8.38 2q42A12 GLY 245 HA2 0.07 -0.02 0.46 -0.51 4.01 4.01 2q42A12 GLY 245 HA3 0.04 0.04 0.33 -0.51 4.01 3.92 2q42A12 ILE 246 H 0.04 0.44 -0.31 -0.55 8.25 7.86 2q42A12 ILE 246 HA 0.04 0.02 0.43 -0.75 4.18 3.91 2q42A12 ILE 246 HB 0.01 0.12 0.09 -0.04 1.89 2.08 2q42A12 ILE 246 HG12 0.02 -0.07 0.03 -0.04 1.49 1.43 2q42A12 ILE 246 HG13 0.02 0.31 0.15 -0.04 1.21 1.65 2q42A12 ILE 246 HG23 0.02 0.01 -0.10 -0.04 0.93 0.82 2q42A12 ILE 246 HD13 0.01 -0.02 -0.04 -0.04 0.88 0.79 2q42A12 ILE 247 H 0.03 0.43 -0.17 -0.55 8.25 7.99 2q42A12 ILE 247 HA 0.07 0.10 0.50 -0.75 4.18 4.10 2q42A12 ILE 247 HB -0.18 0.08 0.10 -0.04 1.89 1.85 2q42A12 ILE 247 HG12 -0.09 0.01 -0.03 -0.04 1.49 1.35 2q42A12 ILE 247 HG13 -0.05 0.13 0.07 -0.04 1.21 1.32 2q42A12 ILE 247 HG23 -0.29 -0.03 -0.15 -0.04 0.93 0.42 2q42A12 ILE 247 HD13 -0.17 -0.04 -0.10 -0.04 0.88 0.53 2q42A12 ARG 248 H 0.21 0.58 -0.10 -0.55 8.46 8.59 2q42A12 ARG 248 HA 0.40 -0.01 0.35 -0.75 4.34 4.33 2q42A12 ARG 248 HB2 0.32 0.03 0.07 -0.04 1.90 2.28 2q42A12 ARG 248 HB3 0.11 0.07 0.15 -0.04 1.80 2.10 2q42A12 ARG 248 HG2 -0.03 -0.06 -0.02 -0.04 1.67 1.52 2q42A12 ARG 248 HG3 -0.01 -0.02 -0.12 -0.04 1.67 1.48 2q42A12 ARG 248 HD2 -0.30 -0.02 -0.04 -0.04 3.22 2.83 2q42A12 ARG 248 HD3 -0.19 0.13 -0.02 -0.04 3.22 3.09 2q42A12 LYS 249 H 0.07 0.54 -0.28 -0.55 8.42 8.19 2q42A12 LYS 249 HA 0.01 -0.01 0.47 -0.75 4.32 4.04 2q42A12 LYS 249 HB2 0.04 0.15 0.13 -0.04 1.87 2.15 2q42A12 LYS 249 HB3 0.03 -0.04 0.02 -0.04 1.79 1.75 2q42A12 LYS 249 HG2 0.02 -0.10 0.03 -0.04 1.46 1.37 2q42A12 LYS 249 HG3 0.03 0.40 0.13 -0.04 1.46 1.98 2q42A12 LYS 249 HD2 0.03 0.02 -0.03 -0.04 1.69 1.67 2q42A12 LYS 249 HD3 0.02 -0.02 0.00 -0.04 1.68 1.65 2q42A12 LYS 249 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.93 2q42A12 LYS 249 HE3 0.02 -0.02 0.00 -0.04 2.99 2.94 2q42A12 ALA 250 H 0.06 0.43 -0.23 -0.55 8.40 8.11 2q42A12 ALA 250 HA 0.07 0.05 0.42 -0.75 4.34 4.13 2q42A12 ALA 250 HB3 0.18 0.03 0.07 -0.04 1.41 1.65 2q42A12 LYS 251 H -0.17 0.70 -0.08 -0.55 8.42 8.32 2q42A12 LYS 251 HA -1.23 0.03 0.34 -0.75 4.32 2.71 2q42A12 LYS 251 HB2 -0.90 0.05 0.06 -0.04 1.87 1.04 2q42A12 LYS 251 HB3 -0.19 0.03 0.06 -0.04 1.79 1.64 2q42A12 LYS 251 HG2 -0.30 -0.02 -0.16 -0.04 1.46 0.93 2q42A12 LYS 251 HG3 -1.04 -0.01 0.03 -0.04 1.46 0.40 2q42A12 LYS 251 HD2 0.07 0.03 -0.02 -0.04 1.69 1.73 2q42A12 LYS 251 HD3 0.10 -0.04 -0.04 -0.04 1.68 1.66 2q42A12 LYS 251 HE2 -0.01 0.03 -0.03 -0.04 2.99 2.94 2q42A12 LYS 251 HE3 0.16 -0.03 -0.04 -0.04 2.99 3.04 2q42A12 ASP 252 H -0.08 0.43 -0.32 -0.55 8.40 7.88 2q42A12 ASP 252 HA -0.06 -0.05 0.33 -0.75 4.63 4.09 2q42A12 ASP 252 HB2 -0.02 0.22 0.16 -0.04 2.71 3.04 2q42A12 ASP 252 HB3 -0.01 -0.06 -0.00 -0.04 2.70 2.59 2q42A12 ASP 253 H 0.00 0.38 -0.40 -0.55 8.40 7.84 2q42A12 ASP 253 HA 0.02 0.05 0.52 -0.75 4.63 4.46 2q42A12 ASP 253 HB2 0.02 -0.05 0.05 -0.04 2.71 2.69 2q42A12 ASP 253 HB3 0.05 0.08 0.11 -0.04 2.70 2.90 2q42A12 PHE 254 H 0.08 0.44 -0.71 -0.55 8.34 7.59 2q42A12 PHE 254 HA 0.03 0.11 0.37 -0.75 4.62 4.38 2q42A12 PHE 254 HB2 -0.05 0.07 0.00 -0.04 3.15 3.12 2q42A12 PHE 254 HB3 -0.17 0.14 0.13 -0.04 3.06 3.13 2q42A12 PHE 254 HD2 0.11 0.02 0.00 -0.04 7.28 7.38 2q42A12 PHE 254 HE2 0.11 -0.01 -0.02 -0.04 7.38 7.41 2q42A12 PHE 254 HZ 0.09 -0.00 -0.10 -0.04 7.32 7.27