#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghk s ILE 2 N 0.00 0.80 0.73 0.00 1.01 -1.16 -4.97 121.20 117.62 1ghk s ILE 2 Ca 0.00 -1.89 -0.11 0.00 0.00 0.00 0.00 60.65 58.65 1ghk s ILE 2 Cb 0.00 -1.58 0.03 0.00 0.01 0.00 0.00 42.46 40.92 1ghk s ILE 2 CO 0.00 -0.85 1.08 -0.62 0.00 0.00 0.00 174.94 174.54 1ghk s ASP 3 N 1.00 5.08 -0.06 3.58 2.15 -1.26 -2.05 116.67 125.11 1ghk s ASP 3 Ca 0.15 1.39 -0.00 0.00 0.43 0.00 0.00 52.55 54.52 1ghk s ASP 3 Cb -0.22 -2.21 0.03 0.00 -0.30 0.00 0.00 42.92 40.22 1ghk s ASP 3 CO -0.09 -1.61 -0.02 -0.63 -0.17 0.00 0.00 175.17 172.66 1ghk s ILE 4 N -3.15 0.41 0.31 4.11 1.01 -0.95 -4.91 121.20 118.03 1ghk s ILE 4 Ca 0.59 0.02 0.03 0.00 0.00 0.00 0.00 60.65 61.29 1ghk s ILE 4 Cb -0.13 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 1ghk s ILE 4 CO 0.54 0.23 0.12 -1.59 0.00 0.00 0.00 174.94 174.24 1ghk s LYS 5 N 1.44 1.61 0.36 2.79 -2.85 -1.26 -1.77 119.74 120.06 1ghk s LYS 5 Ca -0.03 -1.91 -0.21 0.00 -1.00 0.00 0.00 55.97 52.81 1ghk s LYS 5 Cb -0.13 -0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 35.17 1ghk s LYS 5 CO -0.03 -0.36 0.89 0.00 0.10 0.00 0.00 175.35 175.95 1ghk s ALA 6 N -3.53 3.17 0.55 0.59 0.00 -0.07 -4.85 121.76 117.63 1ghk s ALA 6 Ca 0.34 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.51 1ghk s ALA 6 Cb 0.06 -3.07 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 1ghk s ALA 6 CO 0.16 0.19 1.01 -1.25 0.00 0.00 0.00 175.76 175.87 1ghk s PRO 7 N -2.68 3.69 0.15 0.00 0.04 -1.26 -1.73 135.00 133.20 1ghk s PRO 7 Ca 0.55 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1ghk s PRO 7 Cb -0.13 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 1ghk s PRO 7 CO 0.18 -0.49 1.28 0.99 0.04 0.00 0.00 177.00 179.00 1ghk s THR 8 N -2.63 3.48 0.14 1.26 2.01 -1.26 -4.40 115.64 114.25 1ghk s THR 8 Ca 0.60 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.76 1ghk s THR 8 Cb -0.12 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1ghk s THR 8 CO 0.35 0.14 0.29 -0.36 -0.69 0.00 0.00 174.62 174.35 1ghk s PHE 9 N 0.53 3.49 0.00 4.92 0.08 -1.26 -5.06 117.98 120.68 1ghk s PHE 9 Ca 0.58 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.83 1ghk s PHE 9 Cb -0.34 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 1ghk s PHE 9 CO 0.34 0.51 0.00 -0.35 -0.10 0.00 0.00 175.22 175.62 1ghk n PRO 10 N -0.36 1.07 -0.01 0.24 -0.04 -1.26 -4.96 135.00 129.69 1ghk n PRO 10 Ca -0.06 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.32 1ghk n PRO 10 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 1ghk n PRO 10 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ghk h GLU 11 N 0.00 -0.10 -0.86 0.54 4.81 -2.02 -3.32 114.58 113.62 1ghk h GLU 11 Ca 0.00 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 1ghk h GLU 11 Cb 0.00 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 29.24 1ghk h GLU 11 CO 0.00 0.31 -0.23 1.03 -0.73 0.00 0.00 179.01 179.39 1ghk h SER 12 N -0.97 -0.84 -3.29 1.04 0.87 -2.05 -3.37 113.55 104.94 1ghk h SER 12 Ca -0.01 0.26 -0.56 0.00 -1.23 0.00 0.00 61.79 60.25 1ghk h SER 12 Cb 0.46 0.55 -0.04 0.00 -0.44 0.00 0.00 62.40 62.93 1ghk h SER 12 CO 0.02 -0.29 -0.07 -0.63 -0.53 0.00 0.00 176.83 175.33 1ghk s ILE 13 N -6.23 4.83 -0.65 2.23 1.01 -1.25 -4.97 121.20 116.18 1ghk s ILE 13 Ca -0.15 0.93 0.06 0.00 0.00 0.00 0.00 60.65 61.49 1ghk s ILE 13 Cb 0.24 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.96 1ghk s ILE 13 CO 0.76 0.34 0.60 0.00 0.00 0.00 0.00 174.94 176.64 1ghk n ALA 14 N 1.08 2.52 0.00 9.38 0.00 -1.26 -4.20 120.51 128.03 1ghk n ALA 14 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1ghk n ALA 14 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1ghk n ALA 14 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ghk n ASP 15 N 0.08 0.00 -0.31 0.00 5.68 -1.26 -4.87 116.55 115.86 1ghk n ASP 15 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1ghk n ASP 15 Cb 0.14 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1ghk n ASP 15 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ghk n GLY 16 N 0.00 4.50 3.22 6.12 0.00 -0.72 -4.67 105.19 113.64 1ghk n GLY 16 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 1ghk n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ghk s THR 17 N -1.56 -0.02 0.95 2.61 2.01 -1.20 -1.62 115.64 116.81 1ghk s THR 17 Ca 0.00 0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.94 1ghk s THR 17 Cb 0.00 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1ghk s THR 17 CO 0.00 0.03 0.09 0.52 -0.69 0.00 0.00 174.62 174.57 1ghk n VAL 18 N 3.83 0.06 0.00 3.82 0.31 -0.84 -0.96 118.33 124.55 1ghk n VAL 18 Ca -0.21 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1ghk n VAL 18 Cb 0.55 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 1ghk n VAL 18 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ghk n ALA 19 N -3.26 0.50 -3.64 3.52 0.00 -0.80 -4.40 120.51 112.43 1ghk n ALA 19 Ca 0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 1ghk n ALA 19 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 1ghk n ALA 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ghk s THR 20 N -0.30 -0.00 -1.05 0.00 2.01 -1.25 -4.69 115.64 110.35 1ghk s THR 20 Ca 0.00 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 1ghk s THR 20 Cb 0.00 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 71.66 1ghk s THR 20 CO 0.00 0.00 1.25 0.26 -0.69 0.00 0.00 174.62 175.44 1ghk s TRP 21 N 1.58 3.32 0.04 4.92 0.52 -1.26 -2.92 118.94 125.14 1ghk s TRP 21 Ca -0.10 -1.75 -0.09 0.00 0.02 0.00 0.00 56.10 54.19 1ghk s TRP 21 Cb -0.05 -4.28 -0.03 0.00 -1.15 0.00 0.00 33.47 27.96 1ghk s TRP 21 CO -0.19 -1.43 1.15 0.45 0.02 0.00 0.00 176.95 176.95 1ghk h HIS 22 N 8.04 -0.49 -3.95 -1.98 3.86 -1.95 -3.42 115.15 115.26 1ghk h HIS 22 Ca 0.23 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.35 1ghk h HIS 22 Cb 0.96 0.24 0.02 0.00 1.06 0.00 0.00 27.41 29.68 1ghk h HIS 22 CO 1.13 -0.12 0.02 1.63 0.86 0.00 0.00 177.93 181.45 1ghk n LYS 23 N -3.51 0.53 -4.49 2.45 4.76 -1.26 -5.12 118.16 111.51 1ghk n LYS 23 Ca -0.00 -0.67 -0.23 0.00 -2.87 0.00 0.00 58.31 54.54 1ghk n LYS 23 Cb 0.08 -0.14 -0.11 0.00 -1.84 0.00 0.00 35.03 33.03 1ghk n LYS 23 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1ghk s LYS 24 N -2.96 1.70 -0.01 1.97 3.01 -1.26 -5.05 119.74 117.14 1ghk s LYS 24 Ca 0.16 -1.92 -0.30 0.00 -1.01 0.00 0.00 55.97 52.89 1ghk s LYS 24 Cb -0.01 -1.16 -0.04 0.00 -1.01 0.00 0.00 37.83 35.61 1ghk s LYS 24 CO 0.10 -0.08 1.13 -1.25 0.51 0.00 0.00 175.35 175.77 1ghk s PRO 25 N -3.79 4.43 0.00 -1.68 0.04 -1.26 -3.69 135.00 129.05 1ghk s PRO 25 Ca 0.34 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1ghk s PRO 25 Cb 0.07 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1ghk s PRO 25 CO 0.15 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1ghk n GLY 26 N 3.19 1.41 2.65 0.56 0.00 -1.25 -4.89 105.19 106.85 1ghk n GLY 26 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1ghk n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ghk n GLU 27 N -1.14 1.10 -3.51 1.61 -0.58 -1.24 -4.96 120.64 111.92 1ghk n GLU 27 Ca 0.00 -2.69 -0.34 0.00 -0.42 0.00 0.00 57.16 53.71 1ghk n GLU 27 Cb 0.00 0.70 -0.05 0.00 -0.57 0.00 0.00 31.44 31.52 1ghk n GLU 27 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ghk s ALA 28 N -2.63 3.67 0.03 0.62 0.00 -1.26 -3.92 121.76 118.26 1ghk s ALA 28 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1ghk s ALA 28 Cb -0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 1ghk s ALA 28 CO 0.00 0.54 -0.04 0.08 0.00 0.00 0.00 175.76 176.34 1ghk s VAL 29 N -1.48 0.19 -0.01 0.00 1.01 -0.86 -5.01 120.40 114.24 1ghk s VAL 29 Ca 0.36 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1ghk s VAL 29 Cb -0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1ghk s VAL 29 CO 0.19 -0.55 -0.17 -0.54 0.00 0.00 0.00 175.10 174.03 1ghk s LYS 30 N -1.80 1.41 0.67 2.72 3.01 -1.26 -2.32 119.74 122.16 1ghk s LYS 30 Ca -0.12 -0.63 -0.17 0.00 -1.01 0.00 0.00 55.97 54.04 1ghk s LYS 30 Cb -0.08 -1.36 -0.12 0.00 -1.01 0.00 0.00 37.83 35.26 1ghk s LYS 30 CO -0.02 0.37 -0.12 -2.13 0.51 0.00 0.00 175.35 173.97 1ghk n ARG 31 N 2.64 0.09 -3.38 1.68 0.00 -1.26 -2.38 116.66 114.04 1ghk n ARG 31 Ca -0.15 0.04 -0.19 0.00 -0.00 0.00 0.00 57.85 57.55 1ghk n ARG 31 Cb 0.54 -1.20 0.07 0.00 0.00 0.00 0.00 32.46 31.87 1ghk n ARG 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ghk n ASP 32 N 2.07 -5.05 -3.74 6.15 -0.08 -0.96 -4.94 116.55 110.01 1ghk n ASP 32 Ca 0.06 -0.47 -0.24 0.00 -1.51 0.00 0.00 54.79 52.63 1ghk n ASP 32 Cb 0.50 -4.33 -0.17 0.00 2.34 0.00 0.00 41.12 39.46 1ghk n ASP 32 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1ghk s GLU 33 N -5.94 0.52 0.31 -0.67 2.12 -1.00 -4.94 118.70 109.11 1ghk s GLU 33 Ca 0.41 -0.05 -0.25 0.00 0.36 0.00 0.00 54.97 55.44 1ghk s GLU 33 Cb -0.18 -1.37 -0.15 0.00 0.26 0.00 0.00 34.13 32.69 1ghk s GLU 33 CO 0.61 -0.44 0.51 -0.11 -0.54 0.00 0.00 175.26 175.29 1ghk n LEU 34 N 5.14 -0.83 0.00 2.70 7.94 -1.26 -2.22 117.00 128.47 1ghk n LEU 34 Ca -0.07 1.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 1ghk n LEU 34 Cb 0.49 -1.03 0.00 0.00 0.53 0.00 0.00 43.42 43.41 1ghk n LEU 34 CO 0.11 -2.99 -0.35 -0.38 -1.11 0.00 0.00 177.39 172.67 1ghk n ILE 35 N -0.41 0.00 -3.56 1.96 5.41 -0.07 -4.78 119.36 117.91 1ghk n ILE 35 Ca 0.14 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.74 1ghk n ILE 35 Cb 0.33 -0.87 -0.06 0.00 -0.71 0.00 0.00 39.64 38.33 1ghk n ILE 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1ghk s VAL 36 N -1.88 0.00 0.25 1.39 0.11 -1.00 -3.92 120.40 115.35 1ghk s VAL 36 Ca 0.00 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 1ghk s VAL 36 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1ghk s VAL 36 CO 0.00 0.00 0.22 -1.81 -3.33 0.00 0.00 175.10 170.18 1ghk s ASP 37 N -0.79 5.58 0.07 3.54 1.01 -1.15 -0.41 116.67 124.52 1ghk s ASP 37 Ca -0.06 -0.23 0.06 0.00 0.71 0.00 0.00 52.55 53.03 1ghk s ASP 37 Cb -0.01 -1.42 -0.03 0.00 1.01 0.00 0.00 42.92 42.46 1ghk s ASP 37 CO 0.05 -0.06 -0.16 -0.51 0.21 0.00 0.00 175.17 174.71 1ghk s ILE 38 N -2.13 1.24 0.09 0.77 2.07 -1.04 -1.90 121.20 120.30 1ghk s ILE 38 Ca 0.33 -1.25 0.04 0.00 -1.41 0.00 0.00 60.65 58.36 1ghk s ILE 38 Cb -0.08 -1.15 -0.04 0.00 0.13 0.00 0.00 42.46 41.32 1ghk s ILE 38 CO 0.25 -0.11 0.05 -1.61 -1.91 0.00 0.00 174.94 171.61 1ghk s GLU 39 N -1.57 2.73 0.21 3.50 0.41 -0.13 -2.04 118.70 121.81 1ghk s GLU 39 Ca 0.01 -0.77 0.03 0.00 -0.41 0.00 0.00 54.97 53.83 1ghk s GLU 39 Cb -0.09 -2.64 -0.01 0.00 -1.78 0.00 0.00 34.13 29.61 1ghk s GLU 39 CO 0.02 0.55 0.12 2.41 -0.49 0.00 0.00 175.26 177.87 1ghk n THR 40 N 0.45 0.00 -0.03 3.63 -1.04 -0.04 -3.23 114.28 114.02 1ghk n THR 40 Ca -0.09 -1.34 -0.01 0.00 -2.04 0.00 0.00 64.05 60.56 1ghk n THR 40 Cb 0.52 0.58 -0.01 0.00 -1.82 0.00 0.00 70.33 69.60 1ghk n THR 40 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1ghk h ASP 41 N 1.03 -0.22 -0.34 8.00 1.82 -2.00 -3.31 116.42 121.39 1ghk h ASP 41 Ca -0.15 0.03 -0.25 0.00 -0.39 0.00 0.00 57.03 56.26 1ghk h ASP 41 Cb 0.67 0.10 -0.37 0.00 0.68 0.00 0.00 39.33 40.41 1ghk h ASP 41 CO 0.23 -0.03 -1.01 0.29 -1.61 0.00 0.00 179.24 177.11 1ghk n LYS 42 N -3.13 1.58 -3.70 0.28 5.02 -1.26 -5.07 118.16 111.87 1ghk n LYS 42 Ca -0.00 -3.22 -0.13 0.00 -2.02 0.00 0.00 58.31 52.94 1ghk n LYS 42 Cb 0.03 -1.31 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 1ghk n LYS 42 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ghk s VAL 43 N -2.93 0.06 -0.08 -0.18 1.01 -1.25 -5.16 120.40 111.88 1ghk s VAL 43 Ca 0.33 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1ghk s VAL 43 Cb 0.36 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1ghk s VAL 43 CO -0.06 -0.27 -0.19 0.54 0.00 0.00 0.00 175.10 175.12 1ghk s VAL 44 N -2.17 1.61 0.53 2.92 0.11 -1.26 -0.86 120.40 121.29 1ghk s VAL 44 Ca -0.07 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.27 1ghk s VAL 44 Cb -0.02 -1.41 0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1ghk s VAL 44 CO -0.00 0.46 0.46 -0.04 -3.33 0.00 0.00 175.10 172.65 1ghk s MET 45 N 0.39 2.30 0.08 1.54 -1.94 -0.87 -4.97 119.30 115.84 1ghk s MET 45 Ca -0.14 -1.89 0.05 0.00 -1.71 0.00 0.00 55.69 52.00 1ghk s MET 45 Cb -0.16 -2.22 -0.03 0.00 2.01 0.00 0.00 34.83 34.42 1ghk s MET 45 CO 0.06 -0.59 -0.14 -1.21 -0.01 0.00 0.00 175.02 173.13 1ghk s GLU 46 N -4.32 0.88 -0.36 2.03 8.01 -1.26 -2.49 118.70 121.19 1ghk s GLU 46 Ca 0.41 -1.04 0.03 0.00 0.01 0.00 0.00 54.97 54.38 1ghk s GLU 46 Cb -0.03 -0.85 0.11 0.00 -4.31 0.00 0.00 34.13 29.05 1ghk s GLU 46 CO 0.25 0.18 0.10 0.08 0.01 0.00 0.00 175.26 175.88 1ghk s VAL 47 N -1.52 2.01 0.57 2.63 1.01 0.45 -4.93 120.40 120.63 1ghk s VAL 47 Ca 0.01 -2.32 -0.01 0.00 0.00 0.00 0.00 61.98 59.66 1ghk s VAL 47 Cb -0.08 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.85 1ghk s VAL 47 CO 0.02 -0.66 0.82 -0.76 0.00 0.00 0.00 175.10 174.53 1ghk s LEU 48 N 0.84 3.23 0.09 3.92 1.02 -1.26 -0.90 118.68 125.62 1ghk s LEU 48 Ca 0.12 0.19 -0.24 0.00 0.02 0.00 0.00 54.13 54.22 1ghk s LEU 48 Cb -0.20 -3.02 -0.06 0.00 0.02 0.00 0.00 46.19 42.93 1ghk s LEU 48 CO -0.10 -1.17 0.74 0.00 0.02 0.00 0.00 176.35 175.85 1ghk s ALA 49 N -2.86 3.42 -1.21 4.21 0.00 -0.94 -4.79 121.76 119.59 1ghk s ALA 49 Ca 0.56 0.28 0.17 0.00 0.00 0.00 0.00 51.96 52.97 1ghk s ALA 49 Cb -0.10 -2.94 0.68 0.00 0.00 0.00 0.00 23.12 20.76 1ghk s ALA 49 CO 0.40 0.18 1.58 0.39 0.00 0.00 0.00 175.76 178.31 1ghk n GLU 50 N 2.29 3.56 0.00 0.00 -0.58 -1.26 -2.26 120.64 122.38 1ghk n GLU 50 Ca -0.04 -2.70 0.00 0.00 -0.42 0.00 0.00 57.16 53.99 1ghk n GLU 50 Cb 0.50 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ghk n ALA 51 N 1.09 0.00 -0.58 0.62 0.00 -1.26 -4.95 120.51 115.43 1ghk n ALA 51 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.38 1ghk n ALA 51 Cb 0.84 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.49 1ghk n ALA 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ghk n ASP 52 N 0.00 -2.40 0.00 0.00 -0.08 -1.26 -4.42 116.55 108.39 1ghk n ASP 52 Ca 0.00 -0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 1ghk n ASP 52 Cb 0.00 -1.01 0.00 0.00 2.34 0.00 0.00 41.12 42.45 1ghk n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ghk n GLY 53 N 1.83 0.65 2.89 0.27 0.00 -0.98 -4.05 105.19 105.79 1ghk n GLY 53 Ca 0.02 -1.60 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 1ghk n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ghk s VAL 54 N -3.60 0.32 1.14 1.61 1.01 -1.26 -2.03 120.40 117.59 1ghk s VAL 54 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 1ghk s VAL 54 Cb 0.00 -0.33 0.27 0.00 0.00 0.00 0.00 36.38 36.32 1ghk s VAL 54 CO 0.00 0.14 1.04 -0.63 0.00 0.00 0.00 175.10 175.64 1ghk s ILE 55 N 0.47 2.03 -0.11 2.22 -1.09 -1.25 -1.67 121.20 121.78 1ghk s ILE 55 Ca -0.05 0.01 -0.12 0.00 -2.23 0.00 0.00 60.65 58.26 1ghk s ILE 55 Cb -0.08 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 1ghk s ILE 55 CO -0.01 -0.01 -0.23 0.00 -1.23 0.00 0.00 174.94 173.46 1ghk n ALA 56 N -4.83 0.80 -3.65 9.38 0.00 0.81 -3.95 120.51 119.06 1ghk n ALA 56 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 53.44 52.88 1ghk n ALA 56 Cb 0.54 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 1ghk n ALA 56 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ghk s GLU 57 N -2.32 0.08 -0.17 0.00 2.02 -1.26 -4.52 118.70 112.52 1ghk s GLU 57 Ca -0.19 0.13 -0.20 0.00 0.02 0.00 0.00 54.97 54.72 1ghk s GLU 57 Cb 0.03 0.02 -0.03 0.00 0.10 0.00 0.00 34.13 34.24 1ghk s GLU 57 CO 0.29 -0.02 0.58 0.42 0.02 0.00 0.00 175.26 176.55 1ghk s ILE 58 N 0.92 5.08 -0.06 -1.63 -1.09 -1.26 -4.10 121.20 119.05 1ghk s ILE 58 Ca -0.06 1.11 0.06 0.00 -2.23 0.00 0.00 60.65 59.53 1ghk s ILE 58 Cb -0.03 -3.90 -0.24 0.00 -1.58 0.00 0.00 42.46 36.71 1ghk s ILE 58 CO -0.11 0.19 0.59 0.58 -1.23 0.00 0.00 174.94 174.96 1ghk h VAL 59 N 5.03 0.80 -3.05 2.92 2.07 -1.61 -3.46 116.25 118.94 1ghk h VAL 59 Ca -0.35 -2.60 -0.60 0.00 0.82 0.00 0.00 66.70 63.96 1ghk h VAL 59 Cb 1.16 2.46 -0.05 0.00 -1.52 0.00 0.00 31.29 33.34 1ghk h VAL 59 CO 0.76 0.62 -0.25 -0.54 0.02 0.00 0.00 177.57 178.18 1ghk s LYS 60 N -2.59 3.77 0.33 1.57 3.01 -1.26 -5.09 119.74 119.48 1ghk s LYS 60 Ca -0.10 0.21 0.08 0.00 -1.01 0.00 0.00 55.97 55.15 1ghk s LYS 60 Cb 0.08 -3.06 -0.04 0.00 -1.01 0.00 0.00 37.83 33.79 1ghk s LYS 60 CO 0.81 0.61 0.15 -0.80 0.51 0.00 0.00 175.35 176.63 1ghk s ASN 61 N -1.56 4.75 0.55 2.83 0.01 -1.26 -5.06 114.94 115.20 1ghk s ASN 61 Ca 0.30 -0.73 -0.22 0.00 -0.71 0.00 0.00 52.86 51.50 1ghk s ASN 61 Cb -0.14 -0.77 -0.05 0.00 0.41 0.00 0.00 41.25 40.69 1ghk s ASN 61 CO 0.16 -0.28 1.31 -0.62 -1.51 0.00 0.00 177.10 176.16 1ghk n GLU 62 N -1.16 1.61 -0.66 -0.60 1.02 -1.26 -2.35 120.64 117.24 1ghk n GLU 62 Ca -0.03 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1ghk n GLU 62 Cb 0.61 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 1ghk n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ghk n GLY 63 N 0.82 0.71 3.91 0.62 0.00 -1.26 -5.04 105.19 104.94 1ghk n GLY 63 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 1ghk n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ghk s ASP 64 N -2.23 5.16 0.01 1.61 -1.08 -0.99 -4.98 116.67 114.18 1ghk s ASP 64 Ca 0.00 -0.71 0.02 0.00 -0.52 0.00 0.00 52.55 51.34 1ghk s ASP 64 Cb 0.00 -0.51 -0.04 0.00 -1.46 0.00 0.00 42.92 40.91 1ghk s ASP 64 CO 0.00 -0.72 0.01 -0.89 0.52 0.00 0.00 175.17 174.09 1ghk s THR 65 N -2.47 4.17 -0.07 1.71 2.01 -1.26 -1.99 115.64 117.74 1ghk s THR 65 Ca 0.49 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1ghk s THR 65 Cb -0.05 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1ghk s THR 65 CO 0.29 0.33 -0.16 0.68 -0.69 0.00 0.00 174.62 175.07 1ghk s VAL 66 N -1.13 2.91 0.49 3.82 -7.23 -0.64 -4.87 120.40 113.75 1ghk s VAL 66 Ca 0.21 -0.76 0.07 0.00 -1.81 0.00 0.00 61.98 59.69 1ghk s VAL 66 Cb -0.12 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.70 1ghk s VAL 66 CO 0.12 0.57 0.48 -0.76 -0.31 0.00 0.00 175.10 175.20 1ghk s LEU 67 N -0.44 3.12 0.17 1.32 1.43 -1.26 -1.76 118.68 121.27 1ghk s LEU 67 Ca 0.05 -0.91 -0.32 0.00 -1.03 0.00 0.00 54.13 51.92 1ghk s LEU 67 Cb -0.12 -1.72 -0.11 0.00 0.03 0.00 0.00 46.19 44.27 1ghk s LEU 67 CO 0.02 -0.95 1.67 -0.55 0.23 0.00 0.00 176.35 176.78 1ghk s SER 68 N -4.30 6.47 -0.33 2.29 0.15 -1.26 -1.35 113.70 115.37 1ghk s SER 68 Ca 0.47 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.85 1ghk s SER 68 Cb -0.04 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1ghk s SER 68 CO 0.28 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.41 1ghk n GLY 69 N 3.93 0.56 3.57 9.45 0.00 -0.71 -4.95 105.19 117.05 1ghk n GLY 69 Ca 0.15 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1ghk n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ghk s GLU 70 N -2.58 3.41 -0.16 1.61 2.56 -0.46 -4.70 118.70 118.38 1ghk s GLU 70 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 54.97 54.80 1ghk s GLU 70 Cb 0.00 -4.07 -0.01 0.00 2.00 0.00 0.00 34.13 32.06 1ghk s GLU 70 CO 0.00 -1.83 1.11 -1.17 -0.56 0.00 0.00 175.26 172.82 1ghk s LEU 71 N 5.24 4.18 -0.01 2.70 0.20 -1.26 -0.89 118.68 128.83 1ghk s LEU 71 Ca 0.41 1.56 -0.01 0.00 0.69 0.00 0.00 54.13 56.78 1ghk s LEU 71 Cb -0.08 -3.55 -0.00 0.00 -0.43 0.00 0.00 46.19 42.13 1ghk s LEU 71 CO 0.22 -0.63 -0.02 0.18 -0.29 0.00 0.00 176.35 175.81 1ghk n LEU 72 N 5.96 0.18 0.00 -0.68 4.32 -0.73 -4.79 117.00 121.25 1ghk n LEU 72 Ca 0.12 0.22 -0.11 0.00 -0.02 0.00 0.00 56.01 56.21 1ghk n LEU 72 Cb 0.46 -0.53 -0.04 0.00 -1.62 0.00 0.00 43.42 41.69 1ghk n LEU 72 CO 0.53 -0.49 -0.04 0.61 -1.22 0.00 0.00 177.39 176.78 1ghk n GLY 73 N 1.67 3.29 3.02 -0.72 0.00 -1.25 -1.60 105.19 109.60 1ghk n GLY 73 Ca -0.01 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1ghk n GLY 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ghk s LYS 74 N -2.78 0.21 0.13 1.61 2.20 -1.26 -2.24 119.74 117.61 1ghk s LYS 74 Ca 0.23 0.06 -0.14 0.00 -0.36 0.00 0.00 55.97 55.76 1ghk s LYS 74 Cb 0.01 0.10 -0.07 0.00 -1.51 0.00 0.00 37.83 36.36 1ghk s LYS 74 CO 0.17 -0.04 0.54 -1.17 -0.36 0.00 0.00 175.35 174.49 1ghk s LEU 75 N -0.23 4.35 0.00 5.43 2.96 -0.87 -0.14 118.68 130.19 1ghk s LEU 75 Ca -0.03 1.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.95 1ghk s LEU 75 Cb -0.02 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.46 1ghk s LEU 75 CO 0.00 0.12 0.00 1.07 -1.32 0.00 0.00 176.35 176.23 1ghk n THR 76 N 0.89 0.00 -0.41 3.68 5.66 -0.67 -2.96 114.28 120.46 1ghk n THR 76 Ca -0.06 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.65 1ghk n THR 76 Cb 0.52 -1.50 0.25 0.00 -1.55 0.00 0.00 70.33 68.06 1ghk n THR 76 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ghk n GLU 77 N 0.00 -3.27 0.06 1.09 -0.58 -1.26 -3.28 120.64 113.39 1ghk n GLU 77 Ca 0.00 -0.95 0.00 0.00 -0.42 0.00 0.00 57.16 55.79 1ghk n GLU 77 Cb 0.00 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 28.92 1ghk n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ghk n GLY 78 N 1.61 -1.70 0.16 0.62 0.00 -1.26 -4.23 105.19 100.40 1ghk n GLY 78 Ca 0.06 0.57 0.02 0.00 0.00 0.00 0.00 46.02 46.67 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93