#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shg n GLU 7 N 0.00 1.96 -4.23 1.97 1.02 -1.26 -4.83 120.64 115.26 1shg n GLU 7 Ca 0.00 0.69 -0.30 0.00 -0.02 0.00 0.00 57.16 57.53 1shg n GLU 7 Cb 0.00 -2.24 -0.10 0.00 -0.02 0.00 0.00 31.44 29.08 1shg n GLU 7 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1shg s LEU 8 N -0.55 3.10 0.12 -4.62 1.43 -1.26 -0.88 118.68 116.03 1shg s LEU 8 Ca 0.58 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1shg s LEU 8 Cb -0.61 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1shg s LEU 8 CO 0.60 0.18 -0.10 0.68 0.23 0.00 0.00 176.35 177.94 1shg s VAL 9 N -1.21 1.06 -0.12 -1.59 -7.23 0.41 -0.57 120.40 111.15 1shg s VAL 9 Ca 0.22 -1.85 -0.05 0.00 -1.81 0.00 0.00 61.98 58.49 1shg s VAL 9 Cb -0.11 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 1shg s VAL 9 CO 0.14 -0.64 0.07 -0.22 -0.31 0.00 0.00 175.10 174.13 1shg s LEU 10 N -2.79 3.93 -0.25 1.32 2.96 0.16 0.05 118.68 124.05 1shg s LEU 10 Ca 0.11 0.25 -0.29 0.00 -0.22 0.00 0.00 54.13 53.98 1shg s LEU 10 Cb -0.00 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 1shg s LEU 10 CO 0.00 0.34 1.35 0.00 -1.32 0.00 0.00 176.35 176.72 1shg s ALA 11 N -0.64 3.44 -0.33 5.97 0.00 0.58 -0.88 121.76 129.88 1shg s ALA 11 Ca 0.11 0.27 0.21 0.00 0.00 0.00 0.00 51.96 52.56 1shg s ALA 11 Cb -0.12 -3.75 0.19 0.00 0.00 0.00 0.00 23.12 19.44 1shg s ALA 11 CO 0.02 -1.63 1.39 -0.07 0.00 0.00 0.00 175.76 175.48 1shg h LEU 12 N 10.68 0.00 -7.90 0.00 3.38 -0.87 -0.76 115.31 119.84 1shg h LEU 12 Ca -0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1shg h LEU 12 Cb 1.11 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.72 1shg h LEU 12 CO 1.01 0.10 -0.42 -0.31 0.09 0.00 0.00 178.44 178.91 1shg s TYR 13 N -3.20 0.23 0.48 1.13 2.02 -1.24 -4.79 117.35 111.98 1shg s TYR 13 Ca 0.04 -0.67 -0.23 0.00 -0.37 0.00 0.00 57.07 55.83 1shg s TYR 13 Cb 0.07 -0.11 -0.07 0.00 -0.40 0.00 0.00 41.96 41.45 1shg s TYR 13 CO 0.72 -0.53 1.27 -0.51 -1.57 0.00 0.00 175.55 174.93 1shg s ASP 14 N -2.88 5.86 -0.15 2.29 1.11 -1.26 -3.71 116.67 117.93 1shg s ASP 14 Ca 0.06 2.56 -0.05 0.00 0.18 0.00 0.00 52.55 55.31 1shg s ASP 14 Cb 0.05 -2.62 0.08 0.00 1.07 0.00 0.00 42.92 41.49 1shg s ASP 14 CO -0.10 -1.15 0.27 -0.47 1.18 0.00 0.00 175.17 174.90 1shg s TYR 15 N -1.39 -0.45 -0.18 4.23 5.04 0.44 -4.91 117.35 120.12 1shg s TYR 15 Ca 0.65 0.88 -0.09 0.00 -2.44 0.00 0.00 57.07 56.07 1shg s TYR 15 Cb -0.35 -0.06 -0.05 0.00 0.35 0.00 0.00 41.96 41.85 1shg s TYR 15 CO 0.43 -0.43 0.11 -0.65 -1.34 0.00 0.00 175.55 173.68 1shg s GLN 16 N 2.43 4.04 0.52 4.97 1.11 -1.26 -0.25 119.66 131.21 1shg s GLN 16 Ca 0.03 -0.24 -0.22 0.00 0.01 0.00 0.00 55.36 54.94 1shg s GLN 16 Cb -0.13 -3.34 -0.05 0.00 -1.01 0.00 0.00 33.01 28.48 1shg s GLN 16 CO -0.10 0.36 1.31 -1.83 0.01 0.00 0.00 175.29 175.04 1shg s GLU 17 N 0.18 3.30 0.00 2.91 -1.05 -1.25 -4.90 118.70 117.88 1shg s GLU 17 Ca 0.08 2.12 0.00 0.00 -0.15 0.00 0.00 54.97 57.02 1shg s GLU 17 Cb -0.11 -2.30 0.00 0.00 -0.44 0.00 0.00 34.13 31.28 1shg s GLU 17 CO -0.01 -1.03 0.66 1.63 0.95 0.00 0.00 175.26 177.47 1shg n LYS 18 N -0.89 1.05 -3.67 -4.83 5.02 -1.26 -5.00 118.16 108.58 1shg n LYS 18 Ca 0.10 -0.88 -0.10 0.00 -2.02 0.00 0.00 58.31 55.40 1shg n LYS 18 Cb 0.46 -0.86 -0.04 0.00 -0.02 0.00 0.00 35.03 34.57 1shg n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1shg s SER 19 N -0.44 -0.27 0.36 4.39 1.04 -1.26 -5.04 113.70 112.48 1shg s SER 19 Ca 0.00 -0.38 0.09 0.00 0.48 0.00 0.00 55.95 56.14 1shg s SER 19 Cb 0.00 0.53 0.82 0.00 0.10 0.00 0.00 66.02 67.47 1shg s SER 19 CO 0.00 -0.95 1.90 -0.65 0.98 0.00 0.00 173.24 174.51 1shg h PRO 20 N 2.26 0.66 -0.15 4.02 0.11 -2.03 -1.23 132.00 135.65 1shg h PRO 20 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1shg h PRO 20 Cb 1.26 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1shg h PRO 20 CO 0.42 0.44 0.00 2.89 -0.21 0.00 0.00 178.00 181.53 1shg n ARG 21 N -4.53 1.81 -3.20 1.05 1.85 -1.26 -4.92 116.66 107.46 1shg n ARG 21 Ca 0.15 -1.21 -0.25 0.00 -1.00 0.00 0.00 57.85 55.54 1shg n ARG 21 Cb 0.42 -1.43 -0.01 0.00 -1.05 0.00 0.00 32.46 30.39 1shg n ARG 21 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1shg s GLU 22 N -1.81 3.52 0.30 2.89 2.02 -0.47 -0.57 118.70 124.57 1shg s GLU 22 Ca 0.34 -0.17 0.08 0.00 0.02 0.00 0.00 54.97 55.24 1shg s GLU 22 Cb 0.19 -2.59 -0.06 0.00 0.10 0.00 0.00 34.13 31.77 1shg s GLU 22 CO 0.28 0.07 -0.09 0.14 0.02 0.00 0.00 175.26 175.69 1shg s VAL 23 N -2.39 1.93 0.03 2.63 -7.23 -0.54 -4.65 120.40 110.17 1shg s VAL 23 Ca 0.42 -2.19 -0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1shg s VAL 23 Cb -0.10 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1shg s VAL 23 CO 0.37 -0.30 0.22 -0.89 -0.31 0.00 0.00 175.10 174.19 1shg s THR 24 N -2.83 5.39 0.13 5.32 2.01 -1.26 -3.96 115.64 120.44 1shg s THR 24 Ca 0.30 -0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.07 1shg s THR 24 Cb 0.02 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 1shg s THR 24 CO 0.13 0.25 0.16 0.00 -0.69 0.00 0.00 174.62 174.47 1shg s MET 25 N -2.16 0.97 0.07 4.92 0.23 0.65 -4.96 119.30 119.02 1shg s MET 25 Ca 0.31 -1.23 0.09 0.00 -1.03 0.00 0.00 55.69 53.82 1shg s MET 25 Cb -0.13 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 1shg s MET 25 CO 0.22 -0.31 -0.22 0.15 -2.03 0.00 0.00 175.02 172.83 1shg s LYS 26 N -3.97 1.83 0.11 3.16 1.02 -1.26 -0.42 119.74 120.20 1shg s LYS 26 Ca 0.16 -1.11 -0.36 0.00 0.02 0.00 0.00 55.97 54.68 1shg s LYS 26 Cb 0.05 -2.06 -0.16 0.00 -0.52 0.00 0.00 37.83 35.15 1shg s LYS 26 CO -0.02 0.51 1.41 1.17 -0.92 0.00 0.00 175.35 177.49 1shg n LYS 27 N 1.43 1.44 -0.04 1.68 4.81 -1.24 -0.59 118.16 125.65 1shg n LYS 27 Ca -0.17 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1shg n LYS 27 Cb 0.52 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.37 1shg n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1shg n GLY 28 N 2.78 1.41 3.75 3.14 0.00 -0.29 -4.95 105.19 111.02 1shg n GLY 28 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1shg n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1shg n ASP 29 N 0.00 3.19 -4.42 1.61 8.00 0.24 -4.70 116.55 120.47 1shg n ASP 29 Ca 0.00 1.13 -0.39 0.00 0.71 0.00 0.00 54.79 56.24 1shg n ASP 29 Cb 0.00 -1.58 -0.12 0.00 -0.02 0.00 0.00 41.12 39.40 1shg n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1shg s ILE 30 N -1.18 4.56 0.22 0.53 -1.09 -1.26 -0.31 121.20 122.66 1shg s ILE 30 Ca 0.60 -0.52 0.08 0.00 -2.23 0.00 0.00 60.65 58.57 1shg s ILE 30 Cb -0.47 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 1shg s ILE 30 CO 0.58 0.01 0.05 -0.76 -1.23 0.00 0.00 174.94 173.59 1shg s LEU 31 N 1.59 3.42 -0.23 2.97 1.43 0.11 -4.79 118.68 123.17 1shg s LEU 31 Ca 0.04 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 1shg s LEU 31 Cb -0.17 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1shg s LEU 31 CO 0.06 0.03 0.33 -0.89 0.23 0.00 0.00 176.35 176.11 1shg s THR 32 N -2.02 5.23 -0.18 5.49 2.01 -0.86 -0.45 115.64 124.87 1shg s THR 32 Ca 0.30 0.53 -0.29 0.00 0.31 0.00 0.00 61.69 62.54 1shg s THR 32 Cb -0.08 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 1shg s THR 32 CO 0.21 0.24 1.18 -0.22 -0.69 0.00 0.00 174.62 175.34 1shg s LEU 33 N 1.52 4.16 -0.18 4.42 2.96 -0.06 -1.09 118.68 130.42 1shg s LEU 33 Ca 0.15 1.60 -0.07 0.00 -0.22 0.00 0.00 54.13 55.59 1shg s LEU 33 Cb -0.15 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.78 1shg s LEU 33 CO 0.08 -0.71 0.14 0.18 -1.32 0.00 0.00 176.35 174.72 1shg n LEU 34 N 6.39 2.59 -3.66 -0.68 4.77 0.93 -4.49 117.00 122.84 1shg n LEU 34 Ca 0.13 0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 56.20 1shg n LEU 34 Cb 0.45 -1.03 -0.08 0.00 -2.33 0.00 0.00 43.42 40.44 1shg n LEU 34 CO 0.54 0.79 0.22 0.21 -1.33 0.00 0.00 177.39 177.82 1shg s ASN 35 N -6.92 -0.79 -0.17 -1.43 3.84 -0.68 -4.96 114.94 103.83 1shg s ASN 35 Ca -0.28 1.31 0.13 0.00 0.21 0.00 0.00 52.86 54.24 1shg s ASN 35 Cb 0.08 1.42 0.40 0.00 -0.55 0.00 0.00 41.25 42.60 1shg s ASN 35 CO 0.68 -0.22 1.20 -1.54 -2.79 0.00 0.00 177.10 174.43 1shg n SER 36 N 4.68 1.67 0.05 -4.21 3.41 -1.26 -1.45 113.62 116.51 1shg n SER 36 Ca -0.18 -3.58 -0.02 0.00 -0.26 0.00 0.00 58.87 54.83 1shg n SER 36 Cb 0.55 -0.49 0.23 0.00 -0.26 0.00 0.00 64.21 64.24 1shg n SER 36 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1shg h THR 37 N 1.66 1.26 -3.56 6.66 1.35 -1.95 -3.43 112.91 114.90 1shg h THR 37 Ca -0.03 -1.27 -0.52 0.00 -0.55 0.00 0.00 66.41 64.05 1shg h THR 37 Cb 1.11 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1shg h THR 37 CO 0.01 0.39 0.37 0.21 -0.25 0.00 0.00 175.52 176.26 1shg s ASN 38 N -6.84 7.48 0.50 5.36 3.84 -1.26 -4.96 114.94 119.06 1shg s ASN 38 Ca -0.06 1.81 0.29 0.00 0.21 0.00 0.00 52.86 55.12 1shg s ASN 38 Cb 0.14 -2.59 1.18 0.00 -0.55 0.00 0.00 41.25 39.43 1shg s ASN 38 CO 0.78 -0.08 1.92 0.50 -2.79 0.00 0.00 177.10 177.43 1shg h LYS 39 N 5.57 0.00 0.00 0.43 3.64 -2.01 -3.33 116.57 120.88 1shg h LYS 39 Ca -0.43 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.70 1shg h LYS 39 Cb 1.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1shg h LYS 39 CO 0.72 0.10 -1.94 -0.25 -2.27 0.00 0.00 179.45 175.81 1shg n ASP 40 N -3.25 1.61 -4.03 4.20 8.00 -1.26 -4.69 116.55 117.14 1shg n ASP 40 Ca 0.00 -0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1shg n ASP 40 Cb 0.35 0.83 -0.17 0.00 -0.02 0.00 0.00 41.12 42.12 1shg n ASP 40 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1shg s TRP 41 N -2.33 1.87 -0.08 1.24 0.52 -1.25 -1.17 118.94 117.74 1shg s TRP 41 Ca -0.07 -0.89 -0.00 0.00 0.02 0.00 0.00 56.10 55.16 1shg s TRP 41 Cb 0.04 -1.38 -0.03 0.00 -1.15 0.00 0.00 33.47 30.96 1shg s TRP 41 CO 0.56 -0.48 -0.06 -1.58 0.02 0.00 0.00 176.95 175.42 1shg s TRP 42 N 1.08 2.97 -0.12 -1.98 0.51 0.07 -4.38 118.94 117.09 1shg s TRP 42 Ca -0.05 -0.02 -0.19 0.00 -2.12 0.00 0.00 56.10 53.72 1shg s TRP 42 Cb -0.15 -1.75 -0.04 0.00 -0.81 0.00 0.00 33.47 30.72 1shg s TRP 42 CO -0.03 0.29 0.52 0.21 -0.51 0.00 0.00 176.95 177.43 1shg s LYS 43 N -0.64 4.34 0.27 4.98 2.20 -0.53 -1.49 119.74 128.86 1shg s LYS 43 Ca 0.10 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.24 1shg s LYS 43 Cb -0.12 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1shg s LYS 43 CO 0.02 0.10 0.11 0.14 -0.36 0.00 0.00 175.35 175.36 1shg s VAL 44 N 0.79 0.51 -0.12 4.02 -7.23 0.00 -0.05 120.40 118.32 1shg s VAL 44 Ca 0.28 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1shg s VAL 44 Cb -0.16 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.19 1shg s VAL 44 CO 0.11 0.00 -0.19 -0.70 -0.31 0.00 0.00 175.10 174.01 1shg s GLU 45 N -3.99 2.66 -0.26 4.82 2.12 -0.25 -0.80 118.70 123.00 1shg s GLU 45 Ca 0.37 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.99 1shg s GLU 45 Cb 0.07 -2.18 0.07 0.00 0.26 0.00 0.00 34.13 32.36 1shg s GLU 45 CO 0.14 -0.02 -0.02 0.08 -0.54 0.00 0.00 175.26 174.91 1shg s VAL 46 N 0.84 1.60 0.00 3.70 1.01 0.25 -2.02 120.40 125.77 1shg s VAL 46 Ca -0.08 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.45 1shg s VAL 46 Cb -0.15 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1shg s VAL 46 CO -0.01 -0.26 0.00 -3.20 0.00 0.00 0.00 175.10 171.63 1shg n ASN 47 N 4.61 0.00 -0.00 3.32 2.85 -1.26 0.13 115.26 124.91 1shg n ASN 47 Ca -0.08 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.45 1shg n ASN 47 Cb 0.43 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.38 1shg n ASN 47 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1shg n ASP 48 N 1.36 0.62 -4.69 1.20 5.75 -1.26 -5.01 116.55 114.53 1shg n ASP 48 Ca 0.00 -0.77 -0.31 0.00 -0.01 0.00 0.00 54.79 53.71 1shg n ASP 48 Cb 0.00 1.02 -0.08 0.00 -1.03 0.00 0.00 41.12 41.02 1shg n ASP 48 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1shg s ARG 49 N -2.17 2.59 0.05 0.11 0.52 0.35 -5.13 118.95 115.28 1shg s ARG 49 Ca 0.04 -0.80 0.07 0.00 -0.52 0.00 0.00 55.73 54.53 1shg s ARG 49 Cb 0.09 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.97 1shg s ARG 49 CO 0.50 0.56 -0.18 -0.65 0.02 0.00 0.00 175.30 175.55 1shg s GLN 50 N -2.17 2.04 0.00 3.54 -0.21 -1.26 0.85 119.66 122.45 1shg s GLN 50 Ca 0.25 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.62 1shg s GLN 50 Cb -0.12 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.71 1shg s GLN 50 CO 0.17 0.53 0.00 0.41 -2.12 0.00 0.00 175.29 174.28 1shg n GLY 51 N 1.43 -1.95 3.87 3.09 0.00 0.02 -4.80 105.19 106.84 1shg n GLY 51 Ca -0.16 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 1shg n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1shg s PHE 52 N -2.43 3.58 0.14 1.61 0.40 0.26 -0.82 117.98 120.72 1shg s PHE 52 Ca 0.00 0.72 0.04 0.00 -0.60 0.00 0.00 56.93 57.10 1shg s PHE 52 Cb 0.00 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 1shg s PHE 52 CO 0.00 0.54 -0.10 0.14 0.70 0.00 0.00 175.22 176.50 1shg s VAL 53 N -1.39 1.13 0.16 -0.44 -7.23 -0.56 -1.47 120.40 110.60 1shg s VAL 53 Ca 0.32 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 58.13 1shg s VAL 53 Cb -0.14 -1.83 -0.10 0.00 0.56 0.00 0.00 36.38 34.87 1shg s VAL 53 CO 0.18 -0.75 1.62 -2.84 -0.31 0.00 0.00 175.10 173.00 1shg s PRO 54 N -3.74 4.19 0.41 4.82 0.02 -1.26 -0.76 135.00 138.68 1shg s PRO 54 Ca 0.16 2.41 0.16 0.00 0.02 0.00 0.00 61.00 63.75 1shg s PRO 54 Cb 0.03 -3.23 1.03 0.00 0.02 0.00 0.00 34.50 32.35 1shg s PRO 54 CO 0.00 -0.66 1.86 0.00 -0.33 0.00 0.00 177.00 177.86 1shg h ALA 55 N 7.11 2.13 0.00 -1.55 0.00 -1.42 0.11 119.26 125.64 1shg h ALA 55 Ca -0.43 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1shg h ALA 55 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1shg h ALA 55 CO 0.93 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1shg h ALA 56 N 1.61 1.00 -0.36 0.00 0.00 -1.88 -3.05 119.26 116.59 1shg h ALA 56 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1shg h ALA 56 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1shg h ALA 56 CO -0.19 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.72 1shg n TYR 57 N -2.66 0.48 -4.34 0.00 4.02 0.39 -4.85 117.16 110.20 1shg n TYR 57 Ca 0.02 -0.24 -0.23 0.00 -0.01 0.00 0.00 57.90 57.44 1shg n TYR 57 Cb 0.33 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.53 1shg n TYR 57 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1shg s VAL 58 N -1.52 1.90 -0.13 -0.72 -7.23 -1.15 -0.13 120.40 111.42 1shg s VAL 58 Ca 0.31 -1.85 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1shg s VAL 58 Cb 0.16 -1.83 0.02 0.00 0.56 0.00 0.00 36.38 35.29 1shg s VAL 58 CO 0.22 -0.21 -0.14 -0.75 -0.31 0.00 0.00 175.10 173.92 1shg s LYS 59 N -2.55 2.16 0.21 4.82 2.20 -0.06 -4.89 119.74 121.63 1shg s LYS 59 Ca 0.14 -0.52 -0.32 0.00 -0.36 0.00 0.00 55.97 54.92 1shg s LYS 59 Cb -0.07 -1.94 -0.11 0.00 -1.51 0.00 0.00 37.83 34.19 1shg s LYS 59 CO 0.07 -0.17 1.67 0.21 -0.36 0.00 0.00 175.35 176.77 1shg s LYS 60 N 1.30 4.15 -0.36 4.03 2.20 -1.26 0.37 119.74 130.16 1shg s LYS 60 Ca 0.00 2.55 -0.05 0.00 -0.36 0.00 0.00 55.97 58.11 1shg s LYS 60 Cb -0.14 -3.09 0.07 0.00 -1.51 0.00 0.00 37.83 33.17 1shg s LYS 60 CO -0.07 -0.70 0.13 -0.51 -0.36 0.00 0.00 175.35 173.84 1shg s LEU 61 N 0.96 4.60 0.00 5.43 1.43 0.27 -4.86 118.68 126.50 1shg s LEU 61 Ca 0.72 -1.48 0.26 0.00 -1.03 0.00 0.00 54.13 52.60 1shg s LEU 61 Cb -0.48 -1.83 0.59 0.00 0.03 0.00 0.00 46.19 44.50 1shg s LEU 61 CO 0.34 -0.40 1.49 -0.90 0.23 0.00 0.00 176.35 177.10