============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 2 0.900 37.278 10.967 6.811 -99.200 -91.000 PHE 29 1.000 46.715 18.097 11.231 -99.200 -91.000 HIS 30 0.900 45.372 18.684 3.512 -99.200 -91.000 HIS 46 0.900 44.568 24.511 3.013 -99.200 -91.000 PHE 47 1.000 42.888 23.963 11.632 -99.200 -91.000 PHE 58 1.000 42.854 29.083 10.811 -99.200 -91.000 TRP 66 1.040 46.367 27.838 -2.503 -99.200 -91.000 TRP6 66 1.020 44.924 26.642 -1.058 -99.200 -91.000 PHE 77 1.000 46.555 21.271 15.712 -99.200 -91.000 PHE 83 1.000 44.341 16.378 15.841 -99.200 -91.000 PHE 94 1.000 33.480 27.775 7.745 -99.200 -91.000 TYR 103 0.840 45.075 28.409 16.470 -99.200 -91.000 HIS 104 0.900 42.037 32.946 12.767 -99.200 -91.000 HIS 105 0.900 34.769 34.706 13.728 -99.200 -91.000 PHE 106 1.000 39.076 31.682 6.613 -99.200 -91.000 HIS 108 0.900 30.890 31.846 6.913 -99.200 -91.000 PHE 132 1.000 28.469 15.416 16.881 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2galB1 PRO 4 HA 0.05 0.00 0.26 -0.51 4.44 4.25 2galB1 PRO 4 HB2 0.05 -0.01 0.13 -0.04 2.28 2.42 2galB1 PRO 4 HB3 0.06 -0.06 0.07 -0.04 2.02 2.05 2galB1 PRO 4 HG2 0.02 -0.01 0.03 -0.04 2.03 2.03 2galB1 PRO 4 HG3 0.03 -0.02 0.04 -0.04 2.03 2.04 2galB1 PRO 4 HD2 0.02 -0.01 0.02 -0.04 3.68 3.66 2galB1 PRO 4 HD3 0.02 -0.02 0.06 -0.04 3.65 3.68 2galB1 HIS 5 H 0.12 0.11 0.17 -0.55 8.41 8.27 2galB1 HIS 5 HA 0.00 -0.04 0.39 -0.75 4.63 4.23 2galB1 HIS 5 HB2 -0.01 -0.00 0.15 -0.04 3.26 3.37 2galB1 HIS 5 HB3 -0.00 0.05 0.21 -0.04 3.20 3.41 2galB1 HIS 5 HD2 0.01 -0.09 -0.48 -0.04 6.97 6.37 2galB1 HIS 5 HE1 -0.01 0.01 -0.03 -0.04 7.75 7.67 2galB1 LYS 6 H -0.32 0.15 0.23 -0.55 8.42 7.93 2galB1 LYS 6 HA 0.02 0.34 1.17 -0.75 4.32 5.10 2galB1 LYS 6 HB2 -0.08 -0.07 0.15 -0.04 1.87 1.83 2galB1 LYS 6 HB3 -0.03 -0.03 -0.00 -0.04 1.79 1.68 2galB1 LYS 6 HG2 0.02 -0.02 -0.03 -0.04 1.46 1.39 2galB1 LYS 6 HG3 0.01 0.30 -0.13 -0.04 1.46 1.59 2galB1 LYS 6 HD2 -0.01 -0.02 0.01 -0.04 1.69 1.62 2galB1 LYS 6 HD3 -0.01 -0.05 -0.02 -0.04 1.68 1.56 2galB1 LYS 6 HE2 0.03 -0.00 -0.05 -0.04 2.99 2.93 2galB1 LYS 6 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.94 2galB1 SER 7 H 0.04 0.66 0.31 -0.55 8.46 8.92 2galB1 SER 7 HA -0.05 0.13 0.92 -0.75 4.49 4.72 2galB1 SER 7 HB2 0.15 -0.04 0.08 -0.04 3.95 4.10 2galB1 SER 7 HB3 0.06 0.06 -0.03 -0.04 3.93 3.98 2galB1 SER 8 H -0.02 0.14 0.14 -0.55 8.46 8.18 2galB1 SER 8 HA 0.01 0.12 0.81 -0.75 4.49 4.68 2galB1 SER 8 HB2 -0.00 -0.01 0.07 -0.04 3.95 3.97 2galB1 SER 8 HB3 -0.01 -0.03 0.14 -0.04 3.93 3.99 2galB1 LEU 9 H 0.02 0.67 0.15 -0.55 8.37 8.66 2galB1 LEU 9 HA 0.02 0.23 0.84 -0.75 4.35 4.68 2galB1 LEU 9 HB2 0.03 -0.04 -0.01 -0.04 1.64 1.58 2galB1 LEU 9 HB3 0.03 0.14 -0.16 -0.04 1.64 1.61 2galB1 LEU 9 HG 0.03 -0.04 -0.38 -0.04 1.64 1.21 2galB1 LEU 9 HD13 0.05 -0.02 -0.35 -0.04 0.93 0.57 2galB1 LEU 9 HD23 0.03 0.04 -0.28 -0.04 0.89 0.63 2galB1 PRO 10 HA 0.01 0.00 0.65 -0.51 4.44 4.60 2galB1 PRO 10 HB2 0.01 0.04 0.05 -0.04 2.28 2.33 2galB1 PRO 10 HB3 0.01 -0.01 0.10 -0.04 2.02 2.07 2galB1 PRO 10 HG2 0.01 0.03 0.04 -0.04 2.03 2.07 2galB1 PRO 10 HG3 0.01 -0.02 -0.00 -0.04 2.03 1.98 2galB1 PRO 10 HD2 0.01 0.12 0.10 -0.04 3.68 3.88 2galB1 PRO 10 HD3 0.01 0.16 -0.39 -0.04 3.65 3.38 2galB1 GLU 11 H 0.02 0.07 0.25 -0.55 8.60 8.39 2galB1 GLU 11 HA 0.02 -0.05 0.30 -0.75 4.29 3.80 2galB1 GLU 11 HB2 0.02 -0.09 0.12 -0.04 2.09 2.10 2galB1 GLU 11 HB3 0.01 -0.06 -0.28 -0.04 1.99 1.62 2galB1 GLU 11 HG2 0.02 0.27 0.11 -0.04 2.34 2.70 2galB1 GLU 11 HG3 0.02 -0.06 0.13 -0.04 2.34 2.39 2galB1 GLY 12 H 0.02 0.02 0.12 -0.55 8.43 8.05 2galB1 GLY 12 HA2 0.04 0.18 0.33 -0.51 4.01 4.05 2galB1 GLY 12 HA3 0.03 -0.01 0.37 -0.51 4.01 3.90 2galB1 ILE 13 H 0.06 0.23 0.18 -0.55 8.25 8.17 2galB1 ILE 13 HA 0.06 0.23 0.88 -0.75 4.18 4.59 2galB1 ILE 13 HB 0.11 -0.03 0.04 -0.04 1.89 1.97 2galB1 ILE 13 HG12 0.12 0.03 0.05 -0.04 1.49 1.64 2galB1 ILE 13 HG13 0.13 -0.02 -0.26 -0.04 1.21 1.02 2galB1 ILE 13 HG23 0.08 0.00 -0.29 -0.04 0.93 0.68 2galB1 ILE 13 HD13 0.27 -0.02 -0.12 -0.04 0.88 0.98 2galB1 ARG 14 H 0.06 0.21 0.12 -0.55 8.46 8.29 2galB1 ARG 14 HA 0.02 0.14 0.72 -0.75 4.34 4.46 2galB1 ARG 14 HB2 0.03 0.06 -0.08 -0.04 1.90 1.87 2galB1 ARG 14 HB3 0.02 -0.01 0.09 -0.04 1.80 1.85 2galB1 ARG 14 HG2 0.02 0.13 -0.48 -0.04 1.67 1.29 2galB1 ARG 14 HG3 0.03 0.02 -0.38 -0.04 1.67 1.30 2galB1 ARG 14 HD2 0.01 -0.04 -0.06 -0.04 3.22 3.10 2galB1 ARG 14 HD3 0.01 0.00 -0.12 -0.04 3.22 3.08 2galB1 PRO 15 HA 0.04 0.13 0.22 -0.51 4.44 4.33 2galB1 PRO 15 HB2 0.02 0.04 0.06 -0.04 2.28 2.36 2galB1 PRO 15 HB3 0.03 -0.13 -0.00 -0.04 2.02 1.87 2galB1 PRO 15 HG2 0.01 0.03 0.02 -0.04 2.03 2.05 2galB1 PRO 15 HG3 0.02 0.10 -0.20 -0.04 2.03 1.91 2galB1 PRO 15 HD2 0.01 0.11 0.15 -0.04 3.68 3.91 2galB1 PRO 15 HD3 -0.00 0.12 0.12 -0.04 3.65 3.85 2galB1 GLY 16 H 0.06 0.81 0.45 -0.55 8.43 9.19 2galB1 GLY 16 HA2 0.05 -0.06 0.36 -0.51 4.01 3.85 2galB1 GLY 16 HA3 0.05 0.14 0.83 -0.51 4.01 4.52 2galB1 THR 17 H 0.08 0.44 0.15 -0.55 8.28 8.40 2galB1 THR 17 HA 0.10 0.23 0.72 -0.75 4.39 4.68 2galB1 THR 17 HB 0.12 -0.07 0.17 -0.04 4.32 4.50 2galB1 THR 17 HG23 0.09 0.01 -0.15 -0.04 1.22 1.12 2galB1 VAL 18 H 0.14 0.77 0.25 -0.55 8.24 8.85 2galB1 VAL 18 HA 0.13 0.20 1.10 -0.75 4.13 4.81 2galB1 VAL 18 HB 0.26 -0.06 0.13 -0.04 2.12 2.40 2galB1 VAL 18 HG13 0.18 -0.02 -0.23 -0.04 0.97 0.86 2galB1 VAL 18 HG23 0.11 0.02 -0.20 -0.04 0.95 0.84 2galB1 LEU 19 H 0.10 0.65 0.33 -0.55 8.37 8.90 2galB1 LEU 19 HA -0.01 0.23 0.97 -0.75 4.35 4.79 2galB1 LEU 19 HB2 0.06 0.08 0.14 -0.04 1.64 1.88 2galB1 LEU 19 HB3 0.04 -0.11 0.09 -0.04 1.64 1.62 2galB1 LEU 19 HG 0.00 0.07 -0.05 -0.04 1.64 1.61 2galB1 LEU 19 HD13 0.04 0.00 -0.14 -0.04 0.93 0.79 2galB1 LEU 19 HD23 0.02 -0.02 -0.14 -0.04 0.89 0.72 2galB1 ARG 20 H -0.04 0.78 0.34 -0.55 8.46 8.98 2galB1 ARG 20 HA 0.09 0.33 1.18 -0.75 4.34 5.19 2galB1 ARG 20 HB2 0.24 -0.02 -0.06 -0.04 1.90 2.02 2galB1 ARG 20 HB3 0.10 -0.10 0.13 -0.04 1.80 1.89 2galB1 ARG 20 HG2 0.09 0.04 -0.12 -0.04 1.67 1.64 2galB1 ARG 20 HG3 0.13 0.01 -0.05 -0.04 1.67 1.72 2galB1 ARG 20 HD2 0.10 -0.00 -0.09 -0.04 3.22 3.19 2galB1 ARG 20 HD3 0.24 -0.01 -0.08 -0.04 3.22 3.33 2galB1 ILE 21 H 0.09 0.74 0.36 -0.55 8.25 8.89 2galB1 ILE 21 HA -0.01 0.30 1.19 -0.75 4.18 4.91 2galB1 ILE 21 HB 0.21 -0.05 0.10 -0.04 1.89 2.11 2galB1 ILE 21 HG12 0.02 0.01 -0.09 -0.04 1.49 1.39 2galB1 ILE 21 HG13 0.03 -0.06 -0.54 -0.04 1.21 0.60 2galB1 ILE 21 HG23 0.11 0.00 -0.15 -0.04 0.93 0.85 2galB1 ILE 21 HD13 0.08 0.00 -0.16 -0.04 0.88 0.77 2galB1 ARG 22 H -0.09 0.63 0.42 -0.55 8.46 8.87 2galB1 ARG 22 HA -0.29 0.37 1.18 -0.75 4.34 4.85 2galB1 ARG 22 HB2 -0.11 -0.12 0.17 -0.04 1.90 1.80 2galB1 ARG 22 HB3 -0.15 0.05 0.13 -0.04 1.80 1.79 2galB1 ARG 22 HG2 -0.04 0.06 -0.07 -0.04 1.67 1.59 2galB1 ARG 22 HG3 -0.02 -0.05 -0.32 -0.04 1.67 1.24 2galB1 ARG 22 HD2 -0.01 -0.02 -0.08 -0.04 3.22 3.07 2galB1 ARG 22 HD3 -0.04 0.01 -0.03 -0.04 3.22 3.12 2galB1 GLY 23 H -0.85 0.60 0.42 -0.55 8.43 8.06 2galB1 GLY 23 HA2 -0.29 0.05 0.54 -0.51 4.01 3.79 2galB1 GLY 23 HA3 -0.45 0.06 0.46 -0.51 4.01 3.58 2galB1 LEU 24 H -0.17 0.60 0.34 -0.55 8.37 8.60 2galB1 LEU 24 HA -0.01 0.23 1.02 -0.75 4.35 4.84 2galB1 LEU 24 HB2 -0.07 -0.00 -0.16 -0.04 1.64 1.37 2galB1 LEU 24 HB3 -0.06 -0.04 0.01 -0.04 1.64 1.51 2galB1 LEU 24 HG 0.02 0.12 -0.42 -0.04 1.64 1.32 2galB1 LEU 24 HD13 -0.01 0.02 -0.23 -0.04 0.93 0.66 2galB1 LEU 24 HD23 -0.02 -0.04 -0.38 -0.04 0.89 0.41 2galB1 VAL 25 H 0.14 0.79 0.19 -0.55 8.24 8.82 2galB1 VAL 25 HA -0.07 0.13 0.74 -0.75 4.13 4.18 2galB1 VAL 25 HB 0.09 0.13 0.23 -0.04 2.12 2.53 2galB1 VAL 25 HG13 0.01 0.03 -0.17 -0.04 0.97 0.81 2galB1 VAL 25 HG23 0.12 -0.01 -0.10 -0.04 0.95 0.92 2galB1 PRO 26 HA -0.01 0.12 0.34 -0.51 4.44 4.37 2galB1 PRO 26 HB2 -0.02 -0.09 -0.16 -0.04 2.28 1.97 2galB1 PRO 26 HB3 -0.02 0.07 0.01 -0.04 2.02 2.03 2galB1 PRO 26 HG2 -0.04 0.00 -0.13 -0.04 2.03 1.82 2galB1 PRO 26 HG3 -0.05 0.04 -0.22 -0.04 2.03 1.76 2galB1 PRO 26 HD2 -0.10 0.25 0.24 -0.04 3.68 4.02 2galB1 PRO 26 HD3 -0.07 0.16 0.07 -0.04 3.65 3.77 2galB1 PRO 27 HA 0.01 0.06 0.38 -0.51 4.44 4.38 2galB1 PRO 27 HB2 0.00 0.06 -0.03 -0.04 2.28 2.27 2galB1 PRO 27 HB3 0.00 0.07 0.11 -0.04 2.02 2.16 2galB1 PRO 27 HG2 -0.00 -0.00 0.06 -0.04 2.03 2.05 2galB1 PRO 27 HG3 -0.00 0.08 0.07 -0.04 2.03 2.14 2galB1 PRO 27 HD2 -0.01 0.08 0.20 -0.04 3.68 3.90 2galB1 PRO 27 HD3 -0.00 0.18 0.18 -0.04 3.65 3.96 2galB1 ASN 28 H -0.00 0.06 -0.36 -0.55 8.53 7.68 2galB1 ASN 28 HA -0.00 0.27 0.82 -0.75 4.76 5.09 2galB1 ASN 28 HB2 -0.00 -0.04 0.05 -0.04 2.88 2.84 2galB1 ASN 28 HB3 -0.00 0.01 0.14 -0.04 2.79 2.89 2galB1 ASN 28 HD21 -0.00 0.03 -0.08 -0.04 7.03 6.94 2galB1 ASN 28 HD22 -0.00 -0.03 -0.05 -0.04 7.74 7.61 2galB1 ALA 29 H -0.00 0.37 -0.38 -0.55 8.40 7.84 2galB1 ALA 29 HA -0.01 -0.02 0.46 -0.75 4.34 4.02 2galB1 ALA 29 HB3 0.00 0.01 -0.04 -0.04 1.41 1.34 2galB1 SER 30 H -0.00 0.06 0.23 -0.55 8.46 8.20 2galB1 SER 30 HA -0.02 0.18 0.82 -0.75 4.49 4.71 2galB1 SER 30 HB2 -0.01 0.08 0.11 -0.04 3.95 4.09 2galB1 SER 30 HB3 -0.01 -0.04 0.24 -0.04 3.93 4.07 2galB1 ARG 31 H 0.00 0.16 0.29 -0.55 8.46 8.36 2galB1 ARG 31 HA -0.10 0.11 0.58 -0.75 4.34 4.18 2galB1 ARG 31 HB2 -0.20 0.31 0.17 -0.04 1.90 2.14 2galB1 ARG 31 HB3 -0.11 -0.05 -0.04 -0.04 1.80 1.55 2galB1 ARG 31 HG2 -0.03 -0.15 -0.02 -0.04 1.67 1.42 2galB1 ARG 31 HG3 -0.03 0.03 -0.22 -0.04 1.67 1.40 2galB1 ARG 31 HD2 -0.05 -0.01 -0.08 -0.04 3.22 3.04 2galB1 ARG 31 HD3 -0.09 0.07 -0.11 -0.04 3.22 3.04 2galB1 PHE 32 H -0.46 0.56 0.29 -0.55 8.34 8.18 2galB1 PHE 32 HA -0.14 0.00 0.85 -0.75 4.62 4.58 2galB1 PHE 32 HB2 -0.23 0.27 0.05 -0.04 3.15 3.20 2galB1 PHE 32 HB3 -0.17 -0.05 -0.43 -0.04 3.06 2.37 2galB1 PHE 32 HD2 -0.26 -0.00 -0.22 -0.04 7.28 6.75 2galB1 PHE 32 HE2 -0.54 -0.02 -0.19 -0.04 7.38 6.58 2galB1 PHE 32 HZ -1.54 -0.01 -0.18 -0.04 7.32 5.54 2galB1 HIS 33 H -0.36 0.65 0.31 -0.55 8.41 8.47 2galB1 HIS 33 HA -0.51 0.33 0.97 -0.75 4.63 4.67 2galB1 HIS 33 HB2 -0.31 0.03 -0.07 -0.04 3.26 2.88 2galB1 HIS 33 HB3 -0.28 0.02 -0.30 -0.04 3.20 2.60 2galB1 HIS 33 HD2 0.08 0.05 -0.38 -0.04 6.97 6.67 2galB1 HIS 33 HE1 0.05 -0.02 -0.17 -0.04 7.75 7.56 2galB1 VAL 34 H -0.07 0.59 0.32 -0.55 8.24 8.54 2galB1 VAL 34 HA 0.09 0.29 1.03 -0.75 4.13 4.79 2galB1 VAL 34 HB 0.17 -0.08 0.14 -0.04 2.12 2.31 2galB1 VAL 34 HG13 0.05 -0.00 -0.15 -0.04 0.97 0.83 2galB1 VAL 34 HG23 0.22 -0.00 -0.15 -0.04 0.95 0.98 2galB1 ASN 35 H 0.15 0.80 0.36 -0.55 8.53 9.30 2galB1 ASN 35 HA 0.12 0.31 1.12 -0.75 4.76 5.55 2galB1 ASN 35 HB2 0.17 -0.01 0.06 -0.04 2.88 3.06 2galB1 ASN 35 HB3 0.13 -0.00 -0.10 -0.04 2.79 2.77 2galB1 ASN 35 HD21 0.05 -0.01 -0.16 -0.04 7.03 6.87 2galB1 ASN 35 HD22 0.16 0.00 -0.14 -0.04 7.74 7.72 2galB1 LEU 36 H 0.04 0.59 0.27 -0.55 8.37 8.72 2galB1 LEU 36 HA 0.03 0.33 0.99 -0.75 4.35 4.94 2galB1 LEU 36 HB2 -0.09 -0.12 0.22 -0.04 1.64 1.61 2galB1 LEU 36 HB3 0.00 0.00 0.06 -0.04 1.64 1.66 2galB1 LEU 36 HG -0.14 -0.02 -0.20 -0.04 1.64 1.24 2galB1 LEU 36 HD13 -0.40 -0.00 -0.12 -0.04 0.93 0.37 2galB1 LEU 36 HD23 0.01 0.04 -0.03 -0.04 0.89 0.87 2galB1 LEU 37 H 0.04 0.58 0.20 -0.55 8.37 8.66 2galB1 LEU 37 HA 0.03 0.22 1.11 -0.75 4.35 4.96 2galB1 LEU 37 HB2 0.03 -0.02 0.00 -0.04 1.64 1.61 2galB1 LEU 37 HB3 0.01 0.07 0.03 -0.04 1.64 1.71 2galB1 LEU 37 HG 0.06 -0.15 -0.37 -0.04 1.64 1.14 2galB1 LEU 37 HD13 0.05 0.02 -0.16 -0.04 0.93 0.79 2galB1 LEU 37 HD23 0.02 0.01 -0.22 -0.04 0.89 0.65 2galB1 CYS 38 H 0.01 0.64 0.22 -0.55 8.50 8.82 2galB1 CYS 38 HA 0.03 0.26 0.91 -0.75 4.58 5.03 2galB1 CYS 38 HB2 0.01 -0.12 0.12 -0.04 2.97 2.94 2galB1 CYS 38 HB3 0.02 0.08 0.25 -0.04 2.97 3.28 2galB1 GLY 39 H 0.01 0.20 -0.34 -0.55 8.43 7.75 2galB1 GLY 39 HA2 0.01 0.07 0.41 -0.51 4.01 3.98 2galB1 GLY 39 HA3 -0.00 0.04 0.33 -0.51 4.01 3.87 2galB1 GLU 40 H 0.00 0.13 0.11 -0.55 8.60 8.29 2galB1 GLU 40 HA 0.01 0.12 0.45 -0.75 4.29 4.11 2galB1 GLU 40 HB2 -0.00 -0.03 0.04 -0.04 2.09 2.07 2galB1 GLU 40 HB3 -0.00 0.03 0.02 -0.04 1.99 2.00 2galB1 GLU 40 HG2 0.00 -0.06 -0.04 -0.04 2.34 2.20 2galB1 GLU 40 HG3 0.00 0.02 0.03 -0.04 2.34 2.35 2galB1 GLU 41 H -0.01 -0.03 -0.07 -0.55 8.60 7.94 2galB1 GLU 41 HA -0.01 0.03 0.36 -0.75 4.29 3.92 2galB1 GLU 41 HB2 -0.01 0.03 0.06 -0.04 2.09 2.12 2galB1 GLU 41 HB3 -0.01 -0.06 0.08 -0.04 1.99 1.96 2galB1 GLU 41 HG2 -0.02 -0.01 -0.56 -0.04 2.34 1.71 2galB1 GLU 41 HG3 -0.02 0.09 -0.17 -0.04 2.34 2.20 2galB1 GLN 42 H -0.01 0.06 0.14 -0.55 8.47 8.12 2galB1 GLN 42 HA -0.01 0.10 0.43 -0.75 4.36 4.12 2galB1 GLN 42 HB2 -0.01 0.02 0.09 -0.04 2.15 2.21 2galB1 GLN 42 HB3 -0.01 -0.00 0.14 -0.04 2.02 2.11 2galB1 GLN 42 HG2 -0.02 -0.04 -0.10 -0.04 2.40 2.20 2galB1 GLN 42 HG3 -0.02 0.03 -0.30 -0.04 2.39 2.06 2galB1 GLN 42 HE21 -0.01 0.01 -0.03 -0.04 6.97 6.90 2galB1 GLN 42 HE22 -0.01 0.00 -0.06 -0.04 7.69 7.57 2galB1 GLY 43 H -0.04 0.15 0.11 -0.55 8.43 8.10 2galB1 GLY 43 HA2 -0.10 0.02 0.26 -0.51 4.01 3.68 2galB1 GLY 43 HA3 -0.07 0.08 0.41 -0.51 4.01 3.92 2galB1 SER 44 H -0.04 0.21 -0.44 -0.55 8.46 7.65 2galB1 SER 44 HA -0.05 -0.01 0.24 -0.75 4.49 3.92 2galB1 SER 44 HB2 -0.02 0.51 -0.08 -0.04 3.95 4.31 2galB1 SER 44 HB3 -0.02 -0.03 -0.10 -0.04 3.93 3.73 2galB1 ASP 45 H -0.04 0.06 0.10 -0.55 8.40 7.97 2galB1 ASP 45 HA -0.11 0.12 0.38 -0.75 4.63 4.27 2galB1 ASP 45 HB2 -0.01 -0.05 0.14 -0.04 2.71 2.75 2galB1 ASP 45 HB3 -0.01 0.09 0.06 -0.04 2.70 2.80 2galB1 ALA 46 H -0.07 0.42 0.30 -0.55 8.40 8.51 2galB1 ALA 46 HA 0.03 0.22 1.09 -0.75 4.34 4.93 2galB1 ALA 46 HB3 0.03 0.01 -0.08 -0.04 1.41 1.33 2galB1 ALA 47 H 0.09 0.52 0.25 -0.55 8.40 8.71 2galB1 ALA 47 HA 0.21 -0.02 0.50 -0.75 4.34 4.28 2galB1 ALA 47 HB3 0.23 0.01 -0.01 -0.04 1.41 1.59 2galB1 LEU 48 H 0.06 0.26 0.01 -0.55 8.37 8.15 2galB1 LEU 48 HA -0.01 0.23 0.59 -0.75 4.35 4.41 2galB1 LEU 48 HB2 -0.29 0.11 -0.11 -0.04 1.64 1.31 2galB1 LEU 48 HB3 -0.39 -0.08 -0.06 -0.04 1.64 1.07 2galB1 LEU 48 HG -0.15 0.03 -0.51 -0.04 1.64 0.97 2galB1 LEU 48 HD13 -0.35 0.00 -0.05 -0.04 0.93 0.49 2galB1 LEU 48 HD23 -0.36 -0.01 -0.16 -0.04 0.89 0.31 2galB1 HIS 49 H -0.02 0.46 0.23 -0.55 8.41 8.52 2galB1 HIS 49 HA 0.03 0.18 0.83 -0.75 4.63 4.91 2galB1 HIS 49 HB2 0.31 -0.04 -0.19 -0.04 3.26 3.31 2galB1 HIS 49 HB3 0.16 -0.01 -0.03 -0.04 3.20 3.28 2galB1 HIS 49 HD2 -0.37 -0.03 -0.26 -0.04 6.97 6.26 2galB1 HIS 49 HE1 -0.29 -0.03 -0.19 -0.04 7.75 7.20 2galB1 PHE 50 H -0.13 0.64 0.24 -0.55 8.34 8.52 2galB1 PHE 50 HA -0.76 0.16 0.81 -0.75 4.62 4.08 2galB1 PHE 50 HB2 -0.26 -0.03 0.00 -0.04 3.15 2.83 2galB1 PHE 50 HB3 -0.27 -0.00 0.23 -0.04 3.06 2.98 2galB1 PHE 50 HD2 -0.76 -0.00 -0.07 -0.04 7.28 6.40 2galB1 PHE 50 HE2 -0.04 -0.00 -0.15 -0.04 7.38 7.16 2galB1 PHE 50 HZ 0.14 0.01 -0.14 -0.04 7.32 7.28 2galB1 ASN 51 H -0.88 0.69 0.19 -0.55 8.53 7.98 2galB1 ASN 51 HA -0.82 0.36 1.19 -0.75 4.76 4.73 2galB1 ASN 51 HB2 -0.94 -0.06 -0.30 -0.04 2.88 1.53 2galB1 ASN 51 HB3 -0.47 -0.01 0.09 -0.04 2.79 2.36 2galB1 ASN 51 HD21 -0.21 -0.16 -0.21 -0.04 7.03 6.40 2galB1 ASN 51 HD22 -0.45 0.55 0.04 -0.04 7.74 7.84 2galB1 PRO 52 HA -0.59 0.04 0.61 -0.51 4.44 3.99 2galB1 PRO 52 HB2 -1.21 -0.04 -0.01 -0.04 2.28 0.98 2galB1 PRO 52 HB3 -0.98 0.02 -0.02 -0.04 2.02 1.00 2galB1 PRO 52 HG2 -2.31 0.02 -0.08 -0.04 2.03 -0.38 2galB1 PRO 52 HG3 -1.65 0.02 -0.07 -0.04 2.03 0.28 2galB1 PRO 52 HD2 -1.69 0.36 0.17 -0.04 3.68 2.48 2galB1 PRO 52 HD3 -1.67 0.10 -0.20 -0.04 3.65 1.85 2galB1 ARG 53 H -0.28 0.58 0.28 -0.55 8.46 8.49 2galB1 ARG 53 HA -0.20 0.11 0.98 -0.75 4.34 4.47 2galB1 ARG 53 HB2 -0.15 0.17 0.25 -0.04 1.90 2.14 2galB1 ARG 53 HB3 -0.12 -0.18 0.08 -0.04 1.80 1.54 2galB1 ARG 53 HG2 -0.18 -0.05 -0.07 -0.04 1.67 1.33 2galB1 ARG 53 HG3 -0.27 0.20 -0.26 -0.04 1.67 1.29 2galB1 ARG 53 HD2 -0.16 0.03 -0.06 -0.04 3.22 2.99 2galB1 ARG 53 HD3 -0.12 -0.06 -0.04 -0.04 3.22 2.95 2galB1 LEU 54 H -0.11 0.41 0.16 -0.55 8.37 8.28 2galB1 LEU 54 HA -0.04 0.04 0.46 -0.75 4.35 4.05 2galB1 LEU 54 HB2 -0.03 0.19 -0.07 -0.04 1.64 1.69 2galB1 LEU 54 HB3 -0.01 0.02 -0.02 -0.04 1.64 1.60 2galB1 LEU 54 HG 0.01 0.01 -0.21 -0.04 1.64 1.41 2galB1 LEU 54 HD13 0.04 -0.03 -0.24 -0.04 0.93 0.65 2galB1 LEU 54 HD23 -0.07 -0.05 -0.29 -0.04 0.89 0.44 2galB1 ASP 55 H -0.05 0.33 0.08 -0.55 8.40 8.21 2galB1 ASP 55 HA -0.02 0.12 0.49 -0.75 4.63 4.46 2galB1 ASP 55 HB2 -0.03 0.02 0.03 -0.04 2.71 2.69 2galB1 ASP 55 HB3 -0.03 0.00 0.15 -0.04 2.70 2.79 2galB1 THR 56 H -0.06 0.03 -0.19 -0.55 8.28 7.52 2galB1 THR 56 HA -0.03 0.19 0.67 -0.75 4.39 4.47 2galB1 THR 56 HB -0.04 0.02 0.10 -0.04 4.32 4.36 2galB1 THR 56 HG23 -0.04 -0.02 -0.06 -0.04 1.22 1.06 2galB1 SER 57 H -0.04 0.14 -0.58 -0.55 8.46 7.44 2galB1 SER 57 HA -0.02 0.01 0.35 -0.75 4.49 4.08 2galB1 SER 57 HB2 -0.00 -0.00 0.25 -0.04 3.95 4.16 2galB1 SER 57 HB3 0.00 -0.05 0.11 -0.04 3.93 3.95 2galB1 GLU 58 H -0.07 0.45 0.11 -0.55 8.60 8.55 2galB1 GLU 58 HA 0.01 0.08 0.46 -0.75 4.29 4.09 2galB1 GLU 58 HB2 -0.02 -0.01 -0.01 -0.04 2.09 2.01 2galB1 GLU 58 HB3 -0.02 0.24 -0.28 -0.04 1.99 1.89 2galB1 GLU 58 HG2 -0.08 -0.09 -0.19 -0.04 2.34 1.94 2galB1 GLU 58 HG3 -0.09 -0.04 -0.27 -0.04 2.34 1.89 2galB1 VAL 59 H 0.05 0.31 0.11 -0.55 8.24 8.17 2galB1 VAL 59 HA -0.30 0.14 0.95 -0.75 4.13 4.16 2galB1 VAL 59 HB 0.32 -0.00 0.12 -0.04 2.12 2.52 2galB1 VAL 59 HG13 -0.48 -0.01 -0.24 -0.04 0.97 0.21 2galB1 VAL 59 HG23 -0.09 0.00 -0.07 -0.04 0.95 0.75 2galB1 VAL 60 H -0.37 0.55 0.15 -0.55 8.24 8.01 2galB1 VAL 60 HA -0.01 0.30 1.05 -0.75 4.13 4.71 2galB1 VAL 60 HB -0.24 0.03 0.10 -0.04 2.12 1.98 2galB1 VAL 60 HG13 -0.10 -0.01 -0.20 -0.04 0.97 0.61 2galB1 VAL 60 HG23 -0.10 -0.01 -0.16 -0.04 0.95 0.64 2galB1 PHE 61 H 0.22 0.87 0.49 -0.55 8.34 9.37 2galB1 PHE 61 HA -0.12 0.42 1.10 -0.75 4.62 5.26 2galB1 PHE 61 HB2 0.11 -0.03 0.08 -0.04 3.15 3.27 2galB1 PHE 61 HB3 -0.34 -0.02 0.02 -0.04 3.06 2.68 2galB1 PHE 61 HD2 -0.11 0.07 -0.16 -0.04 7.28 7.04 2galB1 PHE 61 HE2 0.20 -0.02 -0.14 -0.04 7.38 7.39 2galB1 PHE 61 HZ 0.67 -0.01 -0.15 -0.04 7.32 7.79 2galB1 ASN 62 H -0.00 0.43 0.37 -0.55 8.53 8.78 2galB1 ASN 62 HA 0.37 0.16 0.45 -0.75 4.76 4.99 2galB1 ASN 62 HB2 0.06 0.01 -0.40 -0.04 2.88 2.51 2galB1 ASN 62 HB3 0.23 -0.02 -0.15 -0.04 2.79 2.81 2galB1 ASN 62 HD21 0.19 0.33 -0.13 -0.04 7.03 7.38 2galB1 ASN 62 HD22 -0.13 -0.05 -0.10 -0.04 7.74 7.42 2galB1 SER 63 H 0.39 0.16 0.17 -0.55 8.46 8.62 2galB1 SER 63 HA 0.28 0.20 0.60 -0.75 4.49 4.82 2galB1 SER 63 HB2 0.22 0.10 0.09 -0.04 3.95 4.32 2galB1 SER 63 HB3 0.45 0.07 -0.07 -0.04 3.93 4.34 2galB1 LYS 64 H 0.04 0.49 0.21 -0.55 8.42 8.61 2galB1 LYS 64 HA -0.17 0.32 0.77 -0.75 4.32 4.48 2galB1 LYS 64 HB2 -0.92 0.01 -0.27 -0.04 1.87 0.64 2galB1 LYS 64 HB3 -0.40 -0.11 0.03 -0.04 1.79 1.26 2galB1 LYS 64 HG2 -0.53 0.05 -0.58 -0.04 1.46 0.36 2galB1 LYS 64 HG3 -1.64 0.00 -0.39 -0.04 1.46 -0.61 2galB1 LYS 64 HD2 -0.46 0.08 -0.26 -0.04 1.69 1.01 2galB1 LYS 64 HD3 -0.43 -0.07 -0.31 -0.04 1.68 0.82 2galB1 LYS 64 HE2 -1.50 -0.04 -0.18 -0.04 2.99 1.22 2galB1 LYS 64 HE3 -0.47 -0.02 -0.16 -0.04 2.99 2.30 2galB1 GLU 65 H -0.08 0.72 0.12 -0.55 8.60 8.81 2galB1 GLU 65 HA -0.05 0.08 0.96 -0.75 4.29 4.52 2galB1 GLU 65 HB2 0.02 -0.01 -0.12 -0.04 2.09 1.93 2galB1 GLU 65 HB3 -0.01 0.06 0.00 -0.04 1.99 2.00 2galB1 GLU 65 HG2 -0.01 0.00 -0.03 -0.04 2.34 2.26 2galB1 GLU 65 HG3 0.00 -0.03 0.07 -0.04 2.34 2.34 2galB1 GLN 66 H -0.05 0.14 0.11 -0.55 8.47 8.11 2galB1 GLN 66 HA -0.06 0.04 0.32 -0.75 4.36 3.91 2galB1 GLN 66 HB2 -0.04 0.12 0.03 -0.04 2.15 2.23 2galB1 GLN 66 HB3 -0.03 0.02 0.17 -0.04 2.02 2.14 2galB1 GLN 66 HG2 -0.02 -0.08 -0.17 -0.04 2.40 2.09 2galB1 GLN 66 HG3 -0.02 0.04 -0.03 -0.04 2.39 2.34 2galB1 GLN 66 HE21 -0.02 0.01 0.02 -0.04 6.97 6.94 2galB1 GLN 66 HE22 -0.01 0.02 0.01 -0.04 7.69 7.67 2galB1 GLY 67 H -0.15 0.06 -0.42 -0.55 8.43 7.37 2galB1 GLY 67 HA2 -0.20 0.04 0.22 -0.51 4.01 3.57 2galB1 GLY 67 HA3 -0.12 0.12 0.46 -0.51 4.01 3.97 2galB1 SER 68 H -0.13 0.56 -0.38 -0.55 8.46 7.97 2galB1 SER 68 HA -0.17 0.18 1.12 -0.75 4.49 4.87 2galB1 SER 68 HB2 0.01 0.12 -0.01 -0.04 3.95 4.04 2galB1 SER 68 HB3 -0.02 -0.03 0.01 -0.04 3.93 3.85 2galB1 TRP 69 H 0.05 0.10 0.16 -0.55 7.97 7.73 2galB1 TRP 69 HA -0.02 0.13 0.59 -0.75 4.62 4.57 2galB1 TRP 69 HB2 -0.02 -0.03 0.12 -0.04 3.23 3.27 2galB1 TRP 69 HB3 -0.02 0.07 0.07 -0.04 3.23 3.31 2galB1 TRP 69 HD1 -0.05 -0.00 0.03 -0.04 7.22 7.16 2galB1 TRP 69 HE1 -0.11 -0.01 -0.05 -0.04 10.20 9.99 2galB1 TRP 69 HE3 -0.07 0.15 -0.13 -0.04 7.59 7.50 2galB1 TRP 69 HZ2 -0.30 -0.01 -0.12 -0.04 7.44 6.97 2galB1 TRP 69 HZ3 -0.27 -0.03 -0.36 -0.04 7.13 6.43 2galB1 TRP 69 HH2 -0.77 -0.02 -0.18 -0.04 7.19 6.19 2galB1 GLY 70 H 0.36 0.32 0.24 -0.55 8.43 8.80 2galB1 GLY 70 HA2 0.13 0.17 0.69 -0.51 4.01 4.49 2galB1 GLY 70 HA3 0.18 -0.05 0.37 -0.51 4.01 3.99 2galB1 ARG 71 H 0.12 0.11 0.14 -0.55 8.46 8.28 2galB1 ARG 71 HA 0.09 0.07 0.58 -0.75 4.34 4.32 2galB1 ARG 71 HB2 0.06 -0.02 0.11 -0.04 1.90 2.01 2galB1 ARG 71 HB3 0.08 -0.02 0.14 -0.04 1.80 1.96 2galB1 ARG 71 HG2 0.07 0.24 -0.17 -0.04 1.67 1.77 2galB1 ARG 71 HG3 0.05 -0.04 0.05 -0.04 1.67 1.70 2galB1 ARG 71 HD2 0.04 0.01 0.01 -0.04 3.22 3.23 2galB1 ARG 71 HD3 0.03 -0.04 0.02 -0.04 3.22 3.19 2galB1 GLU 72 H 0.07 0.09 0.20 -0.55 8.60 8.41 2galB1 GLU 72 HA 0.13 0.18 0.57 -0.75 4.29 4.41 2galB1 GLU 72 HB2 0.02 -0.05 0.13 -0.04 2.09 2.15 2galB1 GLU 72 HB3 0.02 0.03 -0.01 -0.04 1.99 1.99 2galB1 GLU 72 HG2 -0.05 0.02 -0.01 -0.04 2.34 2.26 2galB1 GLU 72 HG3 -0.01 0.02 0.06 -0.04 2.34 2.37 2galB1 GLU 73 H 0.20 0.69 0.48 -0.55 8.60 9.43 2galB1 GLU 73 HA 0.10 0.15 0.90 -0.75 4.29 4.69 2galB1 GLU 73 HB2 0.41 -0.02 0.10 -0.04 2.09 2.54 2galB1 GLU 73 HB3 0.13 0.00 -0.00 -0.04 1.99 2.08 2galB1 GLU 73 HG2 0.12 0.01 0.06 -0.04 2.34 2.49 2galB1 GLU 73 HG3 0.19 0.09 -0.20 -0.04 2.34 2.37 2galB1 ARG 74 H 0.01 0.22 0.20 -0.55 8.46 8.35 2galB1 ARG 74 HA 0.13 0.32 1.20 -0.75 4.34 5.24 2galB1 ARG 74 HB2 0.02 -0.06 0.10 -0.04 1.90 1.91 2galB1 ARG 74 HB3 0.03 0.14 0.06 -0.04 1.80 1.99 2galB1 ARG 74 HG2 0.01 0.03 -0.09 -0.04 1.67 1.58 2galB1 ARG 74 HG3 0.03 -0.07 -0.37 -0.04 1.67 1.22 2galB1 ARG 74 HD2 0.01 -0.03 -0.07 -0.04 3.22 3.09 2galB1 ARG 74 HD3 0.01 0.03 -0.03 -0.04 3.22 3.19 2galB1 GLY 75 H 0.23 0.36 0.26 -0.55 8.43 8.74 2galB1 GLY 75 HA2 -0.31 0.12 0.67 -0.51 4.01 3.98 2galB1 GLY 75 HA3 -0.19 0.02 0.29 -0.51 4.01 3.62 2galB1 PRO 76 HA 0.02 0.05 0.67 -0.51 4.44 4.67 2galB1 PRO 76 HB2 0.02 -0.00 0.12 -0.04 2.28 2.38 2galB1 PRO 76 HB3 -0.02 -0.00 0.13 -0.04 2.02 2.08 2galB1 PRO 76 HG2 -0.08 0.02 0.20 -0.04 2.03 2.13 2galB1 PRO 76 HG3 -0.09 0.02 0.16 -0.04 2.03 2.08 2galB1 PRO 76 HD2 -0.99 0.14 0.23 -0.04 3.68 3.03 2galB1 PRO 76 HD3 -0.27 0.10 0.30 -0.04 3.65 3.74 2galB1 GLY 77 H 0.09 0.18 0.23 -0.55 8.43 8.39 2galB1 GLY 77 HA2 0.08 0.06 0.33 -0.51 4.01 3.97 2galB1 GLY 77 HA3 0.11 0.08 0.42 -0.51 4.01 4.11 2galB1 VAL 78 H 0.07 0.20 0.07 -0.55 8.24 8.03 2galB1 VAL 78 HA 0.06 0.19 0.84 -0.75 4.13 4.46 2galB1 VAL 78 HB 0.04 0.09 0.14 -0.04 2.12 2.35 2galB1 VAL 78 HG13 0.08 -0.07 -0.15 -0.04 0.97 0.80 2galB1 VAL 78 HG23 0.02 -0.01 -0.34 -0.04 0.95 0.57 2galB1 PRO 79 HA -0.10 0.15 0.52 -0.51 4.44 4.50 2galB1 PRO 79 HB2 -0.40 -0.02 0.09 -0.04 2.28 1.91 2galB1 PRO 79 HB3 -0.12 0.07 0.02 -0.04 2.02 1.95 2galB1 PRO 79 HG2 -0.91 -0.03 -0.11 -0.04 2.03 0.94 2galB1 PRO 79 HG3 -1.01 0.05 -0.04 -0.04 2.03 0.98 2galB1 PRO 79 HD2 -0.08 0.02 0.06 -0.04 3.68 3.63 2galB1 PRO 79 HD3 -0.23 0.33 -0.07 -0.04 3.65 3.63 2galB1 PHE 80 H 0.09 0.09 -0.72 -0.55 8.34 7.25 2galB1 PHE 80 HA -0.02 0.20 0.83 -0.75 4.62 4.88 2galB1 PHE 80 HB2 -0.09 -0.05 -0.14 -0.04 3.15 2.83 2galB1 PHE 80 HB3 -0.04 0.03 -0.13 -0.04 3.06 2.88 2galB1 PHE 80 HD2 -0.29 -0.00 -0.15 -0.04 7.28 6.79 2galB1 PHE 80 HE2 -0.56 -0.01 -0.16 -0.04 7.38 6.60 2galB1 PHE 80 HZ 0.12 -0.01 -0.15 -0.04 7.32 7.24 2galB1 GLN 81 H 0.16 0.26 0.09 -0.55 8.47 8.43 2galB1 GLN 81 HA 0.07 0.15 0.82 -0.75 4.36 4.65 2galB1 GLN 81 HB2 0.06 -0.03 -0.00 -0.04 2.15 2.13 2galB1 GLN 81 HB3 0.04 0.10 -0.01 -0.04 2.02 2.11 2galB1 GLN 81 HG2 0.04 0.12 -0.10 -0.04 2.40 2.42 2galB1 GLN 81 HG3 0.03 -0.03 -0.34 -0.04 2.39 2.01 2galB1 GLN 81 HE21 0.02 -0.03 -0.03 -0.04 6.97 6.88 2galB1 GLN 81 HE22 0.02 0.01 -0.08 -0.04 7.69 7.60 2galB1 ARG 82 H 0.04 0.14 0.12 -0.55 8.46 8.21 2galB1 ARG 82 HA 0.04 0.09 0.42 -0.75 4.34 4.14 2galB1 ARG 82 HB2 0.02 -0.03 0.13 -0.04 1.90 1.98 2galB1 ARG 82 HB3 0.02 0.07 0.12 -0.04 1.80 1.97 2galB1 ARG 82 HG2 0.02 -0.03 -0.02 -0.04 1.67 1.60 2galB1 ARG 82 HG3 0.02 -0.08 0.08 -0.04 1.67 1.65 2galB1 ARG 82 HD2 0.01 -0.05 0.06 -0.04 3.22 3.19 2galB1 ARG 82 HD3 0.01 0.36 0.12 -0.04 3.22 3.66 2galB1 GLY 83 H 0.02 0.73 0.00 -0.55 8.43 8.64 2galB1 GLY 83 HA2 0.01 -0.07 0.30 -0.51 4.01 3.74 2galB1 GLY 83 HA3 0.02 0.03 0.45 -0.51 4.01 4.00 2galB1 GLN 84 H 0.07 0.31 -0.34 -0.55 8.47 7.96 2galB1 GLN 84 HA 0.04 0.19 0.93 -0.75 4.36 4.77 2galB1 GLN 84 HB2 0.09 0.15 0.05 -0.04 2.15 2.40 2galB1 GLN 84 HB3 0.09 0.11 0.02 -0.04 2.02 2.19 2galB1 GLN 84 HG2 0.04 0.05 -0.21 -0.04 2.40 2.24 2galB1 GLN 84 HG3 0.04 -0.05 -0.04 -0.04 2.39 2.30 2galB1 GLN 84 HE21 0.02 -0.05 -0.04 -0.04 6.97 6.86 2galB1 GLN 84 HE22 0.02 0.02 -0.23 -0.04 7.69 7.46 2galB1 PRO 85 HA -0.03 0.16 0.85 -0.51 4.44 4.91 2galB1 PRO 85 HB2 -0.06 0.02 0.06 -0.04 2.28 2.26 2galB1 PRO 85 HB3 -0.04 -0.01 0.08 -0.04 2.02 2.00 2galB1 PRO 85 HG2 0.01 0.01 0.05 -0.04 2.03 2.06 2galB1 PRO 85 HG3 -0.01 0.02 0.08 -0.04 2.03 2.08 2galB1 PRO 85 HD2 0.04 0.08 0.26 -0.04 3.68 4.02 2galB1 PRO 85 HD3 0.02 0.19 0.24 -0.04 3.65 4.06 2galB1 PHE 86 H -0.39 0.69 0.47 -0.55 8.34 8.55 2galB1 PHE 86 HA 0.02 0.13 0.73 -0.75 4.62 4.74 2galB1 PHE 86 HB2 0.08 -0.02 0.04 -0.04 3.15 3.21 2galB1 PHE 86 HB3 0.14 0.09 -0.31 -0.04 3.06 2.94 2galB1 PHE 86 HD2 0.15 0.03 -0.39 -0.04 7.28 7.02 2galB1 PHE 86 HE2 -0.09 -0.00 -0.38 -0.04 7.38 6.86 2galB1 PHE 86 HZ -0.24 -0.00 -0.31 -0.04 7.32 6.73 2galB1 GLU 87 H 0.21 0.21 0.22 -0.55 8.60 8.69 2galB1 GLU 87 HA 0.05 0.34 1.10 -0.75 4.29 5.03 2galB1 GLU 87 HB2 0.01 -0.01 -0.04 -0.04 2.09 2.01 2galB1 GLU 87 HB3 0.06 -0.06 0.16 -0.04 1.99 2.12 2galB1 GLU 87 HG2 0.08 0.02 -0.24 -0.04 2.34 2.16 2galB1 GLU 87 HG3 0.04 0.03 -0.01 -0.04 2.34 2.35 2galB1 VAL 88 H 0.24 0.73 0.39 -0.55 8.24 9.04 2galB1 VAL 88 HA 0.15 0.34 1.26 -0.75 4.13 5.12 2galB1 VAL 88 HB 0.33 -0.05 0.07 -0.04 2.12 2.43 2galB1 VAL 88 HG13 -0.01 -0.00 -0.21 -0.04 0.97 0.70 2galB1 VAL 88 HG23 0.45 -0.02 -0.17 -0.04 0.95 1.18 2galB1 LEU 89 H 0.07 0.70 0.40 -0.55 8.37 8.99 2galB1 LEU 89 HA 0.08 0.41 1.16 -0.75 4.35 5.25 2galB1 LEU 89 HB2 0.07 -0.06 0.17 -0.04 1.64 1.77 2galB1 LEU 89 HB3 0.08 -0.01 -0.07 -0.04 1.64 1.60 2galB1 LEU 89 HG 0.08 0.00 -0.17 -0.04 1.64 1.51 2galB1 LEU 89 HD13 0.06 -0.01 -0.09 -0.04 0.93 0.85 2galB1 LEU 89 HD23 0.12 0.02 -0.06 -0.04 0.89 0.92 2galB1 ILE 90 H 0.06 0.58 0.30 -0.55 8.25 8.65 2galB1 ILE 90 HA 0.05 0.22 0.95 -0.75 4.18 4.64 2galB1 ILE 90 HB 0.04 -0.06 0.17 -0.04 1.89 2.01 2galB1 ILE 90 HG12 -0.03 0.00 -0.19 -0.04 1.49 1.23 2galB1 ILE 90 HG13 -0.07 -0.00 -0.10 -0.04 1.21 1.00 2galB1 ILE 90 HG23 0.04 -0.00 -0.19 -0.04 0.93 0.73 2galB1 ILE 90 HD13 -0.30 0.02 -0.12 -0.04 0.88 0.44 2galB1 ILE 91 H 0.15 0.74 0.30 -0.55 8.25 8.88 2galB1 ILE 91 HA 0.14 0.28 1.17 -0.75 4.18 5.02 2galB1 ILE 91 HB 0.10 -0.10 0.12 -0.04 1.89 1.97 2galB1 ILE 91 HG12 0.09 0.03 -0.11 -0.04 1.49 1.46 2galB1 ILE 91 HG13 0.09 -0.07 -0.35 -0.04 1.21 0.84 2galB1 ILE 91 HG23 0.08 0.02 -0.17 -0.04 0.93 0.81 2galB1 ILE 91 HD13 0.06 -0.01 -0.10 -0.04 0.88 0.79 2galB1 ALA 92 H 0.16 0.70 0.33 -0.55 8.40 9.05 2galB1 ALA 92 HA 0.05 0.16 0.88 -0.75 4.34 4.68 2galB1 ALA 92 HB3 0.17 0.01 0.04 -0.04 1.41 1.59 2galB1 SER 93 H -0.05 0.65 0.36 -0.55 8.46 8.88 2galB1 SER 93 HA 0.03 0.12 0.88 -0.75 4.49 4.77 2galB1 SER 93 HB2 0.01 -0.04 0.18 -0.04 3.95 4.06 2galB1 SER 93 HB3 0.02 0.08 -0.08 -0.04 3.93 3.91 2galB1 ASP 94 H 0.02 0.15 0.18 -0.55 8.40 8.21 2galB1 ASP 94 HA 0.06 0.15 0.55 -0.75 4.63 4.64 2galB1 ASP 94 HB2 0.02 -0.03 0.15 -0.04 2.71 2.81 2galB1 ASP 94 HB3 0.03 0.05 0.05 -0.04 2.70 2.78 2galB1 ASP 95 H 0.02 0.00 -0.09 -0.55 8.40 7.78 2galB1 ASP 95 HA 0.03 0.33 1.10 -0.75 4.63 5.34 2galB1 ASP 95 HB2 0.02 0.02 0.06 -0.04 2.71 2.77 2galB1 ASP 95 HB3 0.01 0.05 0.03 -0.04 2.70 2.75 2galB1 GLY 96 H -0.30 0.14 -0.13 -0.55 8.43 7.60 2galB1 GLY 96 HA2 -1.46 0.02 0.33 -0.51 4.01 2.39 2galB1 GLY 96 HA3 -0.59 0.15 0.42 -0.51 4.01 3.48 2galB1 PHE 97 H 0.04 0.76 0.28 -0.55 8.34 8.87 2galB1 PHE 97 HA 0.09 0.33 1.03 -0.75 4.62 5.32 2galB1 PHE 97 HB2 0.19 -0.03 0.11 -0.04 3.15 3.37 2galB1 PHE 97 HB3 0.12 0.01 -0.10 -0.04 3.06 3.05 2galB1 PHE 97 HD2 0.26 0.06 -0.16 -0.04 7.28 7.40 2galB1 PHE 97 HE2 0.26 0.03 -0.13 -0.04 7.38 7.50 2galB1 PHE 97 HZ 0.18 -0.01 -0.12 -0.04 7.32 7.34 2galB1 LYS 98 H 0.20 0.74 0.34 -0.55 8.42 9.15 2galB1 LYS 98 HA 0.18 0.18 0.94 -0.75 4.32 4.86 2galB1 LYS 98 HB2 0.10 0.01 0.17 -0.04 1.87 2.11 2galB1 LYS 98 HB3 0.08 0.01 -0.06 -0.04 1.79 1.78 2galB1 LYS 98 HG2 -0.03 0.01 -0.06 -0.04 1.46 1.35 2galB1 LYS 98 HG3 0.11 -0.02 -0.11 -0.04 1.46 1.40 2galB1 LYS 98 HD2 -0.13 -0.02 -0.10 -0.04 1.69 1.41 2galB1 LYS 98 HD3 0.03 -0.00 -0.13 -0.04 1.68 1.53 2galB1 LYS 98 HE2 0.03 0.00 -0.10 -0.04 2.99 2.89 2galB1 LYS 98 HE3 0.01 0.01 -0.07 -0.04 2.99 2.91 2galB1 ALA 99 H 0.15 0.74 0.39 -0.55 8.40 9.13 2galB1 ALA 99 HA 0.05 0.26 1.03 -0.75 4.34 4.93 2galB1 ALA 99 HB3 0.21 -0.02 0.06 -0.04 1.41 1.62 2galB1 VAL 100 H 0.06 0.83 0.40 -0.55 8.24 8.99 2galB1 VAL 100 HA 0.11 0.13 1.04 -0.75 4.13 4.66 2galB1 VAL 100 HB 0.07 -0.05 0.13 -0.04 2.12 2.22 2galB1 VAL 100 HG13 0.05 0.02 -0.38 -0.04 0.97 0.61 2galB1 VAL 100 HG23 0.06 -0.01 -0.24 -0.04 0.95 0.72 2galB1 VAL 101 H 0.08 0.57 0.23 -0.55 8.24 8.57 2galB1 VAL 101 HA 0.01 0.21 1.02 -0.75 4.13 4.62 2galB1 VAL 101 HB -0.13 0.02 0.12 -0.04 2.12 2.09 2galB1 VAL 101 HG13 -0.52 -0.00 -0.07 -0.04 0.97 0.33 2galB1 VAL 101 HG23 -0.10 -0.02 -0.19 -0.04 0.95 0.60 2galB1 GLY 102 H 0.03 0.46 0.28 -0.55 8.43 8.66 2galB1 GLY 102 HA2 0.02 0.02 0.41 -0.51 4.01 3.95 2galB1 GLY 102 HA3 -0.00 0.05 0.56 -0.51 4.01 4.11 2galB1 ASP 103 H 0.01 0.16 0.19 -0.55 8.40 8.22 2galB1 ASP 103 HA 0.02 0.19 0.77 -0.75 4.63 4.85 2galB1 ASP 103 HB2 0.01 -0.00 0.12 -0.04 2.71 2.80 2galB1 ASP 103 HB3 0.01 -0.00 0.21 -0.04 2.70 2.89 2galB1 ALA 104 H 0.04 0.42 -0.33 -0.55 8.40 7.98 2galB1 ALA 104 HA 0.04 0.12 0.79 -0.75 4.34 4.53 2galB1 ALA 104 HB3 0.05 0.04 -0.09 -0.04 1.41 1.37 2galB1 GLN 105 H 0.04 0.14 0.12 -0.55 8.47 8.23 2galB1 GLN 105 HA 0.08 0.06 0.56 -0.75 4.36 4.31 2galB1 GLN 105 HB2 0.02 -0.01 0.05 -0.04 2.15 2.17 2galB1 GLN 105 HB3 0.02 -0.00 0.15 -0.04 2.02 2.15 2galB1 GLN 105 HG2 -0.01 -0.00 -0.15 -0.04 2.40 2.20 2galB1 GLN 105 HG3 0.04 0.05 -0.37 -0.04 2.39 2.06 2galB1 GLN 105 HE21 -0.07 -0.04 -0.12 -0.04 6.97 6.70 2galB1 GLN 105 HE22 -0.02 -0.04 -0.31 -0.04 7.69 7.28 2galB1 TYR 106 H 0.23 0.67 0.54 -0.55 8.29 9.17 2galB1 TYR 106 HA 0.09 0.16 0.77 -0.75 4.56 4.82 2galB1 TYR 106 HB2 0.09 -0.03 0.05 -0.04 3.06 3.13 2galB1 TYR 106 HB3 0.18 0.00 0.05 -0.04 2.98 3.18 2galB1 TYR 106 HD2 0.33 -0.01 -0.08 -0.04 7.15 7.34 2galB1 TYR 106 HE2 0.32 0.09 -0.18 -0.04 6.85 7.04 2galB1 HIS 107 H 0.20 0.35 0.31 -0.55 8.41 8.72 2galB1 HIS 107 HA -0.15 0.12 0.53 -0.75 4.63 4.39 2galB1 HIS 107 HB2 -0.43 0.17 -0.23 -0.04 3.26 2.73 2galB1 HIS 107 HB3 -0.20 -0.08 -0.11 -0.04 3.20 2.76 2galB1 HIS 107 HD2 -1.34 -0.07 -0.30 -0.04 6.97 5.22 2galB1 HIS 107 HE1 -0.11 0.01 -0.01 -0.04 7.75 7.59 2galB1 HIS 108 H -0.71 0.26 0.11 -0.55 8.41 7.51 2galB1 HIS 108 HA -0.14 0.23 0.99 -0.75 4.63 4.96 2galB1 HIS 108 HB2 -0.15 -0.01 -0.06 -0.04 3.26 3.00 2galB1 HIS 108 HB3 -0.26 0.01 0.13 -0.04 3.20 3.04 2galB1 HIS 108 HD2 -0.07 0.04 -0.43 -0.04 6.97 6.47 2galB1 HIS 108 HE1 -0.12 0.00 -0.18 -0.04 7.75 7.42 2galB1 PHE 109 H 0.03 0.74 0.22 -0.55 8.34 8.78 2galB1 PHE 109 HA -0.24 0.13 0.80 -0.75 4.62 4.56 2galB1 PHE 109 HB2 0.03 -0.02 -0.02 -0.04 3.15 3.11 2galB1 PHE 109 HB3 0.19 -0.08 0.19 -0.04 3.06 3.32 2galB1 PHE 109 HD2 0.27 -0.06 -0.09 -0.04 7.28 7.35 2galB1 PHE 109 HE2 0.23 0.10 -0.09 -0.04 7.38 7.58 2galB1 PHE 109 HZ 0.20 -0.10 -0.27 -0.04 7.32 7.11 2galB1 ARG 110 H -0.52 0.17 0.14 -0.55 8.46 7.70 2galB1 ARG 110 HA -0.53 0.16 0.72 -0.75 4.34 3.94 2galB1 ARG 110 HB2 -0.32 -0.04 0.13 -0.04 1.90 1.63 2galB1 ARG 110 HB3 -0.24 0.09 0.11 -0.04 1.80 1.73 2galB1 ARG 110 HG2 -0.39 0.04 -0.03 -0.04 1.67 1.25 2galB1 ARG 110 HG3 -0.42 -0.01 0.00 -0.04 1.67 1.19 2galB1 ARG 110 HD2 -0.14 -0.01 0.04 -0.04 3.22 3.06 2galB1 ARG 110 HD3 -0.11 0.02 0.04 -0.04 3.22 3.13 2galB1 HIS 111 H -0.40 0.32 0.11 -0.55 8.41 7.89 2galB1 HIS 111 HA 0.04 -0.01 0.38 -0.75 4.63 4.29 2galB1 HIS 111 HB2 -0.07 0.01 0.03 -0.04 3.26 3.19 2galB1 HIS 111 HB3 -0.02 0.08 -0.10 -0.04 3.20 3.12 2galB1 HIS 111 HD2 -0.11 0.23 -0.17 -0.04 6.97 6.87 2galB1 HIS 111 HE1 -1.19 -0.01 -0.14 -0.04 7.75 6.36 2galB1 ARG 112 H 0.22 0.02 0.26 -0.55 8.46 8.41 2galB1 ARG 112 HA 0.03 0.18 0.85 -0.75 4.34 4.65 2galB1 ARG 112 HB2 0.19 -0.01 0.11 -0.04 1.90 2.15 2galB1 ARG 112 HB3 0.09 -0.05 0.04 -0.04 1.80 1.84 2galB1 ARG 112 HG2 -0.07 0.03 -0.08 -0.04 1.67 1.51 2galB1 ARG 112 HG3 -0.17 0.19 -0.08 -0.04 1.67 1.57 2galB1 ARG 112 HD2 0.32 -0.03 -0.04 -0.04 3.22 3.43 2galB1 ARG 112 HD3 0.12 -0.07 -0.00 -0.04 3.22 3.22 2galB1 LEU 113 H 0.19 0.04 0.19 -0.55 8.37 8.24 2galB1 LEU 113 HA 0.06 0.24 0.87 -0.75 4.35 4.77 2galB1 LEU 113 HB2 0.13 -0.04 -0.05 -0.04 1.64 1.64 2galB1 LEU 113 HB3 0.06 0.05 0.03 -0.04 1.64 1.74 2galB1 LEU 113 HG 0.14 -0.01 -0.10 -0.04 1.64 1.63 2galB1 LEU 113 HD13 0.06 -0.00 -0.24 -0.04 0.93 0.71 2galB1 LEU 113 HD23 0.06 0.04 -0.24 -0.04 0.89 0.71 2galB1 PRO 114 HA -0.06 0.07 0.44 -0.51 4.44 4.38 2galB1 PRO 114 HB2 -0.01 -0.07 0.06 -0.04 2.28 2.22 2galB1 PRO 114 HB3 -0.02 0.07 0.09 -0.04 2.02 2.11 2galB1 PRO 114 HG2 0.00 0.06 0.08 -0.04 2.03 2.13 2galB1 PRO 114 HG3 -0.00 0.10 0.07 -0.04 2.03 2.15 2galB1 PRO 114 HD2 0.03 0.08 0.16 -0.04 3.68 3.90 2galB1 PRO 114 HD3 0.02 0.19 0.22 -0.04 3.65 4.05 2galB1 LEU 115 H -0.21 0.20 0.21 -0.55 8.37 8.02 2galB1 LEU 115 HA -0.01 0.06 0.36 -0.75 4.35 4.01 2galB1 LEU 115 HB2 -0.31 -0.01 0.18 -0.04 1.64 1.45 2galB1 LEU 115 HB3 -0.09 0.11 -0.01 -0.04 1.64 1.61 2galB1 LEU 115 HG -0.54 0.01 -0.01 -0.04 1.64 1.06 2galB1 LEU 115 HD13 -0.05 0.04 -0.16 -0.04 0.93 0.71 2galB1 LEU 115 HD23 0.13 0.01 -0.05 -0.04 0.89 0.94 2galB1 ALA 116 H -0.03 0.01 -0.29 -0.55 8.40 7.54 2galB1 ALA 116 HA 0.01 0.19 0.43 -0.75 4.34 4.22 2galB1 ALA 116 HB3 -0.00 -0.00 0.04 -0.04 1.41 1.41 2galB1 ARG 117 H 0.02 0.52 -0.45 -0.55 8.46 7.99 2galB1 ARG 117 HA 0.02 0.13 0.62 -0.75 4.34 4.36 2galB1 ARG 117 HB2 0.03 0.15 0.04 -0.04 1.90 2.08 2galB1 ARG 117 HB3 0.02 -0.06 0.11 -0.04 1.80 1.83 2galB1 ARG 117 HG2 0.01 -0.01 -0.08 -0.04 1.67 1.55 2galB1 ARG 117 HG3 0.01 -0.03 0.03 -0.04 1.67 1.64 2galB1 ARG 117 HD2 0.01 0.04 0.07 -0.04 3.22 3.30 2galB1 ARG 117 HD3 0.01 -0.02 0.02 -0.04 3.22 3.20 2galB1 VAL 118 H 0.06 0.39 -0.26 -0.55 8.24 7.88 2galB1 VAL 118 HA 0.06 -0.00 0.34 -0.75 4.13 3.78 2galB1 VAL 118 HB 0.10 0.05 0.16 -0.04 2.12 2.39 2galB1 VAL 118 HG13 0.09 -0.02 -0.18 -0.04 0.97 0.82 2galB1 VAL 118 HG23 0.18 -0.02 -0.02 -0.04 0.95 1.04 2galB1 ARG 119 H 0.04 0.59 0.49 -0.55 8.46 9.02 2galB1 ARG 119 HA 0.03 0.29 1.05 -0.75 4.34 4.95 2galB1 ARG 119 HB2 0.02 -0.06 -0.12 -0.04 1.90 1.70 2galB1 ARG 119 HB3 0.02 -0.11 -0.05 -0.04 1.80 1.62 2galB1 ARG 119 HG2 0.02 0.18 -0.33 -0.04 1.67 1.50 2galB1 ARG 119 HG3 0.01 -0.04 -0.12 -0.04 1.67 1.48 2galB1 ARG 119 HD2 0.01 -0.10 0.01 -0.04 3.22 3.11 2galB1 ARG 119 HD3 0.02 0.11 0.09 -0.04 3.22 3.39 2galB1 LEU 120 H 0.04 0.40 0.30 -0.55 8.37 8.56 2galB1 LEU 120 HA 0.03 0.18 0.90 -0.75 4.35 4.71 2galB1 LEU 120 HB2 0.02 0.00 -0.32 -0.04 1.64 1.30 2galB1 LEU 120 HB3 0.03 -0.06 -0.11 -0.04 1.64 1.45 2galB1 LEU 120 HG 0.04 0.13 -0.26 -0.04 1.64 1.51 2galB1 LEU 120 HD13 0.01 0.00 -0.22 -0.04 0.93 0.68 2galB1 LEU 120 HD23 0.02 -0.02 -0.15 -0.04 0.89 0.71 2galB1 VAL 121 H 0.05 0.72 0.35 -0.55 8.24 8.81 2galB1 VAL 121 HA 0.05 0.28 1.12 -0.75 4.13 4.83 2galB1 VAL 121 HB 0.09 -0.05 0.12 -0.04 2.12 2.24 2galB1 VAL 121 HG13 0.06 -0.01 -0.11 -0.04 0.97 0.87 2galB1 VAL 121 HG23 0.04 0.00 -0.14 -0.04 0.95 0.81 2galB1 GLU 122 H 0.09 0.59 0.36 -0.55 8.60 9.09 2galB1 GLU 122 HA 0.14 0.41 1.10 -0.75 4.29 5.18 2galB1 GLU 122 HB2 0.09 0.03 -0.12 -0.04 2.09 2.05 2galB1 GLU 122 HB3 0.13 -0.10 0.02 -0.04 1.99 1.99 2galB1 GLU 122 HG2 0.19 -0.10 -0.57 -0.04 2.34 1.81 2galB1 GLU 122 HG3 0.12 0.20 -0.21 -0.04 2.34 2.41 2galB1 VAL 123 H 0.15 0.71 0.20 -0.55 8.24 8.76 2galB1 VAL 123 HA 0.01 0.34 1.16 -0.75 4.13 4.88 2galB1 VAL 123 HB -0.02 -0.04 0.12 -0.04 2.12 2.13 2galB1 VAL 123 HG13 0.02 0.00 -0.10 -0.04 0.97 0.85 2galB1 VAL 123 HG23 0.02 -0.01 -0.20 -0.04 0.95 0.72 2galB1 GLY 124 H -0.48 0.55 0.28 -0.55 8.43 8.24 2galB1 GLY 124 HA2 -0.08 0.17 0.80 -0.51 4.01 4.39 2galB1 GLY 124 HA3 -0.16 -0.01 0.31 -0.51 4.01 3.64 2galB1 GLY 125 H -0.01 0.14 0.21 -0.55 8.43 8.21 2galB1 GLY 125 HA2 0.05 0.03 0.41 -0.51 4.01 3.99 2galB1 GLY 125 HA3 0.01 0.12 0.93 -0.51 4.01 4.55 2galB1 ASP 126 H 0.05 0.68 0.33 -0.55 8.40 8.91 2galB1 ASP 126 HA -0.02 0.13 0.64 -0.75 4.63 4.63 2galB1 ASP 126 HB2 0.02 -0.07 0.24 -0.04 2.71 2.86 2galB1 ASP 126 HB3 -0.01 0.03 0.12 -0.04 2.70 2.80 2galB1 VAL 127 H -0.08 0.47 0.12 -0.55 8.24 8.19 2galB1 VAL 127 HA -0.24 0.18 0.77 -0.75 4.13 4.08 2galB1 VAL 127 HB -0.77 0.00 -0.41 -0.04 2.12 0.90 2galB1 VAL 127 HG13 -0.13 -0.00 -0.30 -0.04 0.97 0.50 2galB1 VAL 127 HG23 -0.35 -0.00 -0.26 -0.04 0.95 0.30 2galB1 GLN 128 H -0.12 0.75 0.25 -0.55 8.47 8.80 2galB1 GLN 128 HA -0.07 0.13 0.82 -0.75 4.36 4.49 2galB1 GLN 128 HB2 -0.08 -0.10 0.29 -0.04 2.15 2.23 2galB1 GLN 128 HB3 -0.07 0.04 0.05 -0.04 2.02 2.00 2galB1 GLN 128 HG2 -0.06 -0.05 -0.14 -0.04 2.40 2.11 2galB1 GLN 128 HG3 -0.04 -0.03 -0.10 -0.04 2.39 2.18 2galB1 GLN 128 HE21 -0.03 0.00 -0.01 -0.04 6.97 6.89 2galB1 GLN 128 HE22 -0.04 0.00 -0.10 -0.04 7.69 7.51 2galB1 LEU 129 H -0.08 0.21 0.05 -0.55 8.37 8.00 2galB1 LEU 129 HA -0.14 0.07 0.57 -0.75 4.35 4.09 2galB1 LEU 129 HB2 -0.08 0.01 0.07 -0.04 1.64 1.60 2galB1 LEU 129 HB3 -0.08 0.03 -0.05 -0.04 1.64 1.50 2galB1 LEU 129 HG -0.21 -0.01 -0.17 -0.04 1.64 1.21 2galB1 LEU 129 HD13 -0.10 0.02 -0.11 -0.04 0.93 0.70 2galB1 LEU 129 HD23 -0.19 -0.00 -0.06 -0.04 0.89 0.60 2galB1 ASP 130 H -0.16 0.74 0.55 -0.55 8.40 8.99 2galB1 ASP 130 HA -0.07 0.14 0.84 -0.75 4.63 4.78 2galB1 ASP 130 HB2 -0.12 -0.04 -0.03 -0.04 2.71 2.48 2galB1 ASP 130 HB3 -0.13 -0.00 -0.02 -0.04 2.70 2.50 2galB1 SER 131 H -0.11 0.38 0.38 -0.55 8.46 8.56 2galB1 SER 131 HA -0.06 0.14 0.58 -0.75 4.49 4.40 2galB1 SER 131 HB2 -0.03 -0.01 -0.00 -0.04 3.95 3.87 2galB1 SER 131 HB3 -0.03 0.13 -0.12 -0.04 3.93 3.87 2galB1 VAL 132 H -0.06 0.26 0.09 -0.55 8.24 7.98 2galB1 VAL 132 HA -0.08 0.29 0.97 -0.75 4.13 4.56 2galB1 VAL 132 HB -0.14 -0.01 0.12 -0.04 2.12 2.04 2galB1 VAL 132 HG13 -0.03 -0.00 -0.17 -0.04 0.97 0.73 2galB1 VAL 132 HG23 -0.39 -0.02 -0.20 -0.04 0.95 0.30 2galB1 ARG 133 H -0.09 0.65 0.29 -0.55 8.46 8.76 2galB1 ARG 133 HA -0.18 0.19 1.02 -0.75 4.34 4.61 2galB1 ARG 133 HB2 -0.26 -0.02 0.08 -0.04 1.90 1.66 2galB1 ARG 133 HB3 -0.68 0.04 -0.03 -0.04 1.80 1.09 2galB1 ARG 133 HG2 -0.06 -0.06 -0.33 -0.04 1.67 1.18 2galB1 ARG 133 HG3 0.01 -0.01 -0.09 -0.04 1.67 1.54 2galB1 ARG 133 HD2 0.10 -0.01 -0.04 -0.04 3.22 3.23 2galB1 ARG 133 HD3 -0.10 0.04 0.02 -0.04 3.22 3.14 2galB1 ILE 134 H -0.30 0.21 0.17 -0.55 8.25 7.78 2galB1 ILE 134 HA -0.21 0.30 1.13 -0.75 4.18 4.65 2galB1 ILE 134 HB -0.09 -0.01 0.14 -0.04 1.89 1.89 2galB1 ILE 134 HG12 -0.02 0.01 -0.13 -0.04 1.49 1.30 2galB1 ILE 134 HG13 -0.08 -0.14 -0.47 -0.04 1.21 0.48 2galB1 ILE 134 HG23 -0.00 0.01 -0.12 -0.04 0.93 0.77 2galB1 ILE 134 HD13 -0.00 0.01 -0.12 -0.04 0.88 0.73 2galB1 PHE 135 H -0.04 0.77 0.28 -0.55 8.34 8.79 2galB1 PHE 135 HA 0.03 0.24 0.77 -0.75 4.62 4.90 2galB1 PHE 135 HB2 0.03 -0.01 0.13 -0.04 3.15 3.26 2galB1 PHE 135 HB3 0.03 0.02 0.09 -0.04 3.06 3.16 2galB1 PHE 135 HD2 0.02 0.03 -0.07 -0.04 7.28 7.22 2galB1 PHE 135 HE2 0.02 -0.00 -0.09 -0.04 7.38 7.27 2galB1 PHE 135 HZ 0.01 -0.01 -0.08 -0.04 7.32 7.20