#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 -0.21 0.62 0.00 1.01 -1.24 -5.00 121.20 116.39 1ghk s ILE 2 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.33 1ghk s ILE 2 Cb 0.00 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 1ghk s ILE 2 CO 0.00 -0.25 1.14 -0.62 0.00 0.00 0.00 174.94 175.21 1ghk s ASP 3 N 2.23 5.23 -0.04 3.58 -1.08 -1.26 -1.81 116.67 123.52 1ghk s ASP 3 Ca 0.05 2.15 0.05 0.00 -0.52 0.00 0.00 52.55 54.28 1ghk s ASP 3 Cb -0.16 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.72 1ghk s ASP 3 CO -0.11 -1.55 -0.20 -0.63 0.52 0.00 0.00 175.17 173.19 1ghk s ILE 4 N -2.01 1.67 0.25 4.11 -1.09 -0.60 -4.86 121.20 118.66 1ghk s ILE 4 Ca 0.71 -0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 58.25 1ghk s ILE 4 Cb -0.24 -1.41 -0.03 0.00 -1.58 0.00 0.00 42.46 39.20 1ghk s ILE 4 CO 0.36 0.47 0.27 -1.59 -1.23 0.00 0.00 174.94 173.21 1ghk s LYS 5 N -0.14 1.44 0.76 2.79 0.00 -1.26 -2.40 119.74 120.93 1ghk s LYS 5 Ca -0.01 -1.63 -0.12 0.00 0.00 0.00 0.00 55.97 54.21 1ghk s LYS 5 Cb -0.11 0.34 0.05 0.00 0.00 0.00 0.00 37.83 38.11 1ghk s LYS 5 CO 0.02 -0.53 1.10 0.00 0.00 0.00 0.00 175.35 175.94 1ghk s ALA 6 N -3.88 2.25 -0.33 0.59 0.00 -0.71 -4.89 121.76 114.78 1ghk s ALA 6 Ca 0.35 0.36 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 1ghk s ALA 6 Cb 0.04 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1ghk s ALA 6 CO 0.15 -1.73 1.19 -1.25 0.00 0.00 0.00 175.76 174.12 1ghk s PRO 7 N -4.70 3.95 -0.08 0.00 0.04 -1.26 -4.06 135.00 128.88 1ghk s PRO 7 Ca 0.63 1.08 -0.39 0.00 0.04 0.00 0.00 61.00 62.36 1ghk s PRO 7 Cb -0.18 -3.83 -0.17 0.00 0.04 0.00 0.00 34.50 30.36 1ghk s PRO 7 CO 0.53 -1.07 1.46 2.41 0.04 0.00 0.00 177.00 180.36 1ghk n THR 8 N 6.17 0.10 -4.12 1.26 -1.04 -1.26 -4.85 114.28 110.54 1ghk n THR 8 Ca 0.13 -0.02 -0.29 0.00 -2.04 0.00 0.00 64.05 61.84 1ghk n THR 8 Cb 0.47 -0.82 -0.07 0.00 -1.82 0.00 0.00 70.33 68.09 1ghk n THR 8 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1ghk s PHE 9 N 1.59 3.03 0.00 -1.42 -0.12 -1.26 -5.09 117.98 114.71 1ghk s PHE 9 Ca 0.91 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 57.77 1ghk s PHE 9 Cb -1.07 -1.52 0.00 0.00 -0.63 0.00 0.00 43.02 39.80 1ghk s PHE 9 CO 0.57 0.50 0.00 -0.35 -0.05 0.00 0.00 175.22 175.89 1ghk n PRO 10 N 0.23 -0.15 -0.10 1.99 -0.04 -1.26 -4.90 135.00 130.77 1ghk n PRO 10 Ca -0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.25 1ghk n PRO 10 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 1ghk n PRO 10 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ghk h GLU 11 N 0.00 0.52 -1.23 0.54 3.07 -2.01 -2.79 114.58 112.69 1ghk h GLU 11 Ca 0.00 -0.18 0.41 0.00 -0.50 0.00 0.00 59.36 59.09 1ghk h GLU 11 Cb 0.00 -0.04 -0.13 0.00 -0.84 0.00 0.00 28.75 27.74 1ghk h GLU 11 CO 0.00 0.69 0.77 1.03 -1.40 0.00 0.00 179.01 180.10 1ghk h SER 12 N 0.30 0.30 -3.74 1.42 0.87 -2.03 -3.26 113.55 107.41 1ghk h SER 12 Ca 0.08 0.15 -0.68 0.00 -1.23 0.00 0.00 61.79 60.11 1ghk h SER 12 Cb 0.47 0.13 -0.33 0.00 -0.44 0.00 0.00 62.40 62.23 1ghk h SER 12 CO 0.02 -0.18 -0.69 -0.63 -0.53 0.00 0.00 176.83 174.82 1ghk s ILE 13 N -5.38 3.02 -1.85 2.23 -1.09 -1.05 -4.94 121.20 112.14 1ghk s ILE 13 Ca -0.08 -1.45 0.23 0.00 -2.23 0.00 0.00 60.65 57.12 1ghk s ILE 13 Cb 0.30 -2.77 0.59 0.00 -1.58 0.00 0.00 42.46 39.00 1ghk s ILE 13 CO 0.81 -0.17 1.76 0.00 -1.23 0.00 0.00 174.94 176.11 1ghk n ALA 14 N 4.62 2.31 0.00 9.38 0.00 -1.23 -4.28 120.51 131.31 1ghk n ALA 14 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1ghk n ALA 14 Cb 0.43 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.07 0.00 -0.60 0.00 5.68 -1.26 -4.92 116.55 114.38 1ghk n ASP 15 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 1ghk n ASP 15 Cb 0.11 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 -0.27 4.01 3.20 6.12 0.00 -1.22 -4.47 105.19 112.55 1ghk n GLY 16 Ca 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.92 -0.12 0.96 2.61 2.01 0.50 -1.66 115.64 118.02 1ghk s THR 17 Ca 0.00 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 1ghk s THR 17 Cb 0.00 -0.55 -0.09 0.00 0.01 0.00 0.00 72.50 71.87 1ghk s THR 17 CO 0.00 0.05 -0.40 0.52 -0.69 0.00 0.00 174.62 174.10 1ghk n VAL 18 N 4.45 0.05 0.00 3.82 0.31 -0.68 -0.57 118.33 125.71 1ghk n VAL 18 Ca -0.21 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1ghk n VAL 18 Cb 0.54 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 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 -2.77 1.74 -3.63 3.52 0.00 -0.57 -4.07 120.51 114.72 1ghk n ALA 19 Ca 0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1ghk n ALA 19 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.90 -0.00 -1.05 0.00 2.01 -1.25 -4.58 115.64 109.87 1ghk s THR 20 Ca 0.00 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 1ghk s THR 20 Cb 0.00 -0.97 0.15 0.00 0.01 0.00 0.00 72.50 71.70 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 1.23 3.31 0.14 4.92 0.52 -1.26 -2.89 118.94 124.91 1ghk s TRP 21 Ca -0.07 -1.74 -0.32 0.00 0.02 0.00 0.00 56.10 53.99 1ghk s TRP 21 Cb -0.05 -4.28 -0.09 0.00 -1.15 0.00 0.00 33.47 27.90 1ghk s TRP 21 CO -0.13 -1.43 1.54 0.45 0.02 0.00 0.00 176.95 177.40 1ghk h HIS 22 N 8.06 -1.79 -2.69 -1.98 3.86 -1.96 -3.40 115.15 115.25 1ghk h HIS 22 Ca 0.23 0.11 -0.57 0.00 -1.16 0.00 0.00 60.37 58.97 1ghk h HIS 22 Cb 0.96 0.87 -0.07 0.00 1.06 0.00 0.00 27.41 30.24 1ghk h HIS 22 CO 1.13 -0.43 -0.56 0.15 0.86 0.00 0.00 177.93 179.09 1ghk s LYS 23 N -5.55 2.93 0.47 2.45 3.01 -1.26 -5.12 119.74 116.67 1ghk s LYS 23 Ca -0.13 -0.86 0.02 0.00 -1.01 0.00 0.00 55.97 54.00 1ghk s LYS 23 Cb 0.10 -2.66 0.01 0.00 -1.01 0.00 0.00 37.83 34.27 1ghk s LYS 23 CO 0.61 0.49 0.67 0.15 0.51 0.00 0.00 175.35 177.78 1ghk s LYS 24 N -3.12 2.85 -0.58 1.68 1.02 -1.26 -4.98 119.74 115.34 1ghk s LYS 24 Ca 0.31 -0.76 -0.28 0.00 0.02 0.00 0.00 55.97 55.26 1ghk s LYS 24 Cb -0.10 -2.59 0.02 0.00 -0.52 0.00 0.00 37.83 34.63 1ghk s LYS 24 CO 0.24 -0.39 1.40 -1.25 -0.92 0.00 0.00 175.35 174.43 1ghk s PRO 25 N -4.55 3.29 0.00 -1.68 0.04 -1.26 -3.30 135.00 127.53 1ghk s PRO 25 Ca 0.52 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1ghk s PRO 25 Cb -0.10 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1ghk s PRO 25 CO 0.37 -1.96 0.00 0.41 0.04 0.00 0.00 177.00 175.85 1ghk n GLY 26 N 5.27 0.45 0.87 0.56 0.00 -1.25 -4.75 105.19 106.33 1ghk n GLY 26 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.35 -3.97 1.61 -0.58 -1.21 -4.94 120.64 111.91 1ghk n GLU 27 Ca 0.00 -0.59 -0.31 0.00 -0.42 0.00 0.00 57.16 55.84 1ghk n GLU 27 Cb 0.00 -0.17 -0.05 0.00 -0.57 0.00 0.00 31.44 30.65 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 -3.02 3.85 0.20 0.62 0.00 -1.26 -4.24 121.76 117.90 1ghk s ALA 28 Ca 0.15 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.28 1ghk s ALA 28 Cb -0.01 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 1ghk s ALA 28 CO 0.10 0.79 -0.06 0.08 0.00 0.00 0.00 175.76 176.67 1ghk s VAL 29 N -1.43 1.20 0.01 0.00 1.01 -1.01 -5.04 120.40 115.15 1ghk s VAL 29 Ca 0.32 -2.07 0.03 0.00 0.00 0.00 0.00 61.98 60.26 1ghk s VAL 29 Cb -0.13 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1ghk s VAL 29 CO 0.24 -0.53 -0.09 -0.75 0.00 0.00 0.00 175.10 173.97 1ghk s LYS 30 N -3.78 0.71 0.18 2.72 2.20 -1.26 -3.52 119.74 116.98 1ghk s LYS 30 Ca 0.23 -0.45 -0.31 0.00 -0.36 0.00 0.00 55.97 55.08 1ghk s LYS 30 Cb 0.04 -0.66 -0.17 0.00 -1.51 0.00 0.00 37.83 35.53 1ghk s LYS 30 CO 0.05 0.17 0.79 -2.13 -0.36 0.00 0.00 175.35 173.88 1ghk n ARG 31 N 2.48 0.40 -2.48 4.03 0.63 -1.24 -2.47 116.66 118.02 1ghk n ARG 31 Ca -0.16 0.14 -0.06 0.00 -0.92 0.00 0.00 57.85 56.85 1ghk n ARG 31 Cb 0.56 -1.36 0.03 0.00 0.45 0.00 0.00 32.46 32.14 1ghk n ARG 31 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1ghk n ASP 32 N 1.79 -2.38 -3.62 6.15 2.03 -1.23 -4.90 116.55 114.40 1ghk n ASP 32 Ca 0.17 -0.25 -0.21 0.00 0.52 0.00 0.00 54.79 55.01 1ghk n ASP 32 Cb 0.23 -2.30 -0.16 0.00 -0.72 0.00 0.00 41.12 38.17 1ghk n ASP 32 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1ghk s GLU 33 N -4.32 0.04 1.00 -0.67 2.56 -1.03 -5.02 118.70 111.25 1ghk s GLU 33 Ca 0.04 0.21 -0.18 0.00 0.00 0.00 0.00 54.97 55.03 1ghk s GLU 33 Cb -0.00 -1.09 -0.11 0.00 2.00 0.00 0.00 34.13 34.93 1ghk s GLU 33 CO 0.28 -0.51 -0.70 -0.11 -0.56 0.00 0.00 175.26 173.67 1ghk n LEU 34 N 5.30 -4.33 0.00 2.70 7.94 -1.26 -3.35 117.00 124.00 1ghk n LEU 34 Ca -0.05 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 1ghk n LEU 34 Cb 0.50 -0.80 0.00 0.00 0.53 0.00 0.00 43.42 43.65 1ghk n LEU 34 CO 0.08 -4.86 0.00 -0.38 -1.11 0.00 0.00 177.39 171.12 1ghk n ILE 35 N -2.97 0.00 -3.65 1.96 5.41 0.62 -4.76 119.36 115.98 1ghk n ILE 35 Ca -0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 1ghk n ILE 35 Cb 0.60 -0.10 -0.07 0.00 -0.71 0.00 0.00 39.64 39.35 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 -1.20 -0.00 0.08 1.39 0.11 -1.00 -3.72 120.40 116.06 1ghk s VAL 36 Ca 0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1ghk s VAL 36 Cb 0.00 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1ghk s VAL 36 CO 0.00 0.00 0.26 -1.81 -3.33 0.00 0.00 175.10 170.22 1ghk s ASP 37 N 0.37 6.40 -0.08 3.54 1.01 -1.14 0.08 116.67 126.85 1ghk s ASP 37 Ca -0.00 0.37 -0.03 0.00 0.71 0.00 0.00 52.55 53.60 1ghk s ASP 37 Cb -0.05 -2.00 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 1ghk s ASP 37 CO 0.01 0.13 0.05 -0.63 0.21 0.00 0.00 175.17 174.95 1ghk s ILE 38 N -1.55 4.73 -0.43 0.77 -1.09 -0.74 -1.51 121.20 121.38 1ghk s ILE 38 Ca 0.37 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.68 1ghk s ILE 38 Cb -0.13 -3.04 0.12 0.00 -1.58 0.00 0.00 42.46 37.84 1ghk s ILE 38 CO 0.27 0.57 0.20 -0.70 -1.23 0.00 0.00 174.94 174.05 1ghk s GLU 39 N -1.05 1.41 0.29 2.79 2.12 0.27 -1.86 118.70 122.67 1ghk s GLU 39 Ca 0.15 -2.02 -0.02 0.00 0.36 0.00 0.00 54.97 53.44 1ghk s GLU 39 Cb -0.12 -2.65 0.06 0.00 0.26 0.00 0.00 34.13 31.69 1ghk s GLU 39 CO 0.04 -1.10 0.40 0.25 -0.54 0.00 0.00 175.26 174.32 1ghk n THR 40 N 3.69 0.00 -0.24 -1.70 -2.24 -0.91 -0.37 114.28 112.51 1ghk n THR 40 Ca 0.06 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 1ghk n THR 40 Cb 0.36 -1.44 -0.08 0.00 -2.10 0.00 0.00 70.33 67.07 1ghk n THR 40 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1ghk h ASP 41 N -0.37 -1.71 -0.13 3.42 3.58 -1.94 -3.30 116.42 115.97 1ghk h ASP 41 Ca -0.13 0.24 -0.19 0.00 0.42 0.00 0.00 57.03 57.37 1ghk h ASP 41 Cb 0.43 0.73 -0.37 0.00 1.72 0.00 0.00 39.33 41.84 1ghk h ASP 41 CO 0.12 -0.27 -1.00 0.29 -2.88 0.00 0.00 179.24 175.50 1ghk n LYS 42 N -4.93 0.55 -3.79 0.28 4.76 -1.26 -5.04 118.16 108.74 1ghk n LYS 42 Ca -0.01 -2.38 -0.28 0.00 -2.87 0.00 0.00 58.31 52.78 1ghk n LYS 42 Cb 0.25 -0.44 -0.16 0.00 -1.84 0.00 0.00 35.03 32.84 1ghk n LYS 42 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ghk s VAL 43 N -1.13 0.79 -0.18 -0.18 1.01 -1.25 -5.11 120.40 114.35 1ghk s VAL 43 Ca 0.29 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1ghk s VAL 43 Cb 0.35 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1ghk s VAL 43 CO -0.12 -0.19 0.44 -0.69 0.00 0.00 0.00 175.10 174.54 1ghk s VAL 44 N 1.73 5.18 0.41 2.92 1.01 -1.26 -2.13 120.40 128.26 1ghk s VAL 44 Ca -0.02 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1ghk s VAL 44 Cb -0.18 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1ghk s VAL 44 CO -0.08 0.26 0.05 0.23 0.00 0.00 0.00 175.10 175.56 1ghk n MET 45 N 4.31 0.82 -4.16 2.72 2.81 -0.77 -4.97 117.12 117.88 1ghk n MET 45 Ca -0.07 -3.12 -0.14 0.00 -1.81 0.00 0.00 57.70 52.56 1ghk n MET 45 Cb 0.51 1.14 -0.11 0.00 -0.71 0.00 0.00 33.22 34.06 1ghk n MET 45 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1ghk s GLU 46 N -3.49 0.80 -0.35 0.03 2.02 -1.26 -1.79 118.70 114.65 1ghk s GLU 46 Ca 0.07 -1.13 0.02 0.00 0.02 0.00 0.00 54.97 53.95 1ghk s GLU 46 Cb 0.00 -0.46 0.11 0.00 0.10 0.00 0.00 34.13 33.88 1ghk s GLU 46 CO 0.05 0.07 0.11 0.08 0.02 0.00 0.00 175.26 175.58 1ghk s VAL 47 N -2.45 1.52 0.11 2.63 1.01 0.11 -4.83 120.40 118.51 1ghk s VAL 47 Ca 0.04 -1.98 0.05 0.00 0.00 0.00 0.00 61.98 60.09 1ghk s VAL 47 Cb -0.03 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1ghk s VAL 47 CO -0.01 -0.68 0.04 -0.22 0.00 0.00 0.00 175.10 174.23 1ghk s LEU 48 N 1.11 3.59 0.57 3.92 0.20 -1.26 -0.28 118.68 126.52 1ghk s LEU 48 Ca 0.12 -0.15 -0.08 0.00 0.69 0.00 0.00 54.13 54.70 1ghk s LEU 48 Cb -0.19 -2.28 -0.03 0.00 -0.43 0.00 0.00 46.19 43.26 1ghk s LEU 48 CO -0.15 0.14 0.92 0.00 -0.29 0.00 0.00 176.35 176.98 1ghk s ALA 49 N -1.46 3.23 -0.52 5.97 0.00 -1.21 -4.92 121.76 122.84 1ghk s ALA 49 Ca 0.28 -0.36 0.16 0.00 0.00 0.00 0.00 51.96 52.03 1ghk s ALA 49 Cb -0.11 -2.81 0.68 0.00 0.00 0.00 0.00 23.12 20.88 1ghk s ALA 49 CO 0.20 -0.62 1.60 0.39 0.00 0.00 0.00 175.76 177.33 1ghk n GLU 50 N -2.56 3.92 -3.74 0.00 1.02 -1.26 -3.49 120.64 114.53 1ghk n GLU 50 Ca 0.04 -2.93 0.04 0.00 -0.02 0.00 0.00 57.16 54.28 1ghk n GLU 50 Cb 0.55 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ghk s ALA 51 N -2.41 -2.53 0.88 0.62 0.00 -1.26 -4.79 121.76 112.27 1ghk s ALA 51 Ca 0.48 0.59 -0.13 0.00 0.00 0.00 0.00 51.96 52.91 1ghk s ALA 51 Cb 0.35 0.52 0.12 0.00 0.00 0.00 0.00 23.12 24.12 1ghk s ALA 51 CO 0.17 -1.10 1.17 0.34 0.00 0.00 0.00 175.76 176.34 1ghk s ASP 52 N -3.35 3.85 0.00 0.00 -1.08 -1.26 -3.61 116.67 111.23 1ghk s ASP 52 Ca 0.21 0.81 0.00 0.00 -0.52 0.00 0.00 52.55 53.05 1ghk s ASP 52 Cb 0.04 -1.29 0.00 0.00 -1.46 0.00 0.00 42.92 40.21 1ghk s ASP 52 CO -0.04 -2.32 0.00 0.61 0.52 0.00 0.00 175.17 173.93 1ghk n GLY 53 N -2.81 1.12 3.13 2.66 0.00 -1.23 -4.73 105.19 103.33 1ghk n GLY 53 Ca 0.08 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.82 1.88 0.99 1.61 1.01 -1.13 -2.40 120.40 120.55 1ghk s VAL 54 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1ghk s VAL 54 Cb 0.00 -1.68 0.16 0.00 0.00 0.00 0.00 36.38 34.86 1ghk s VAL 54 CO 0.00 0.52 0.93 -0.38 0.00 0.00 0.00 175.10 176.17 1ghk n ILE 55 N 4.14 0.00 -0.02 2.22 2.08 -1.26 -1.36 119.36 125.16 1ghk n ILE 55 Ca -0.20 -0.14 -0.02 0.00 0.56 0.00 0.00 62.75 62.95 1ghk n ILE 55 Cb 0.51 -0.91 -0.01 0.00 -0.75 0.00 0.00 39.64 38.49 1ghk n ILE 55 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ghk n ALA 56 N -4.31 0.46 -3.64 -1.39 0.00 0.26 -3.79 120.51 108.10 1ghk n ALA 56 Ca 0.09 -0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 1ghk n ALA 56 Cb 0.53 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.47 0.68 -0.23 0.00 2.02 -1.26 -4.48 118.70 113.96 1ghk s GLU 57 Ca -0.07 0.98 -0.17 0.00 0.02 0.00 0.00 54.97 55.73 1ghk s GLU 57 Cb 0.01 0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.45 1ghk s GLU 57 CO 0.10 -0.11 0.47 0.42 0.02 0.00 0.00 175.26 176.16 1ghk s ILE 58 N 0.94 5.12 -0.56 -1.63 -1.09 -1.26 -4.00 121.20 118.72 1ghk s ILE 58 Ca -0.04 0.81 0.24 0.00 -2.23 0.00 0.00 60.65 59.42 1ghk s ILE 58 Cb -0.05 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1ghk s ILE 58 CO -0.10 0.16 1.21 0.58 -1.23 0.00 0.00 174.94 175.56 1ghk h VAL 59 N 5.24 0.00 -3.38 2.92 2.07 -1.54 -3.45 116.25 118.12 1ghk h VAL 59 Ca -0.32 -0.57 -0.65 0.00 0.82 0.00 0.00 66.70 65.98 1ghk h VAL 59 Cb 1.15 1.07 -0.25 0.00 -1.52 0.00 0.00 31.29 31.75 1ghk h VAL 59 CO 0.71 0.00 -0.70 -0.54 0.02 0.00 0.00 177.57 177.06 1ghk s LYS 60 N -3.21 3.53 0.62 1.57 3.01 -1.25 -5.06 119.74 118.94 1ghk s LYS 60 Ca 0.04 -0.57 0.01 0.00 -1.01 0.00 0.00 55.97 54.44 1ghk s LYS 60 Cb 0.13 -2.95 0.07 0.00 -1.01 0.00 0.00 37.83 34.07 1ghk s LYS 60 CO 0.75 0.04 0.87 -0.80 0.51 0.00 0.00 175.35 176.72 1ghk s ASN 61 N 0.88 4.88 0.50 2.83 0.01 -1.26 -5.02 114.94 117.76 1ghk s ASN 61 Ca -0.01 -0.20 -0.21 0.00 -0.71 0.00 0.00 52.86 51.73 1ghk s ASN 61 Cb -0.15 -0.46 -0.07 0.00 0.41 0.00 0.00 41.25 40.99 1ghk s ASN 61 CO 0.01 -1.45 1.15 -1.61 -1.51 0.00 0.00 177.10 173.70 1ghk s GLU 62 N -4.92 3.57 0.00 -0.60 2.02 -1.26 -2.73 118.70 114.78 1ghk s GLU 62 Ca 0.61 1.72 0.00 0.00 0.02 0.00 0.00 54.97 57.32 1ghk s GLU 62 Cb -0.08 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 31.92 1ghk s GLU 62 CO 0.41 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.40 1ghk n GLY 63 N 0.33 1.72 3.93 -1.39 0.00 -1.26 -5.02 105.19 103.51 1ghk n GLY 63 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.20 4.64 0.23 1.61 -1.08 -1.10 -4.86 116.67 112.90 1ghk s ASP 64 Ca 0.00 0.46 0.05 0.00 -0.52 0.00 0.00 52.55 52.54 1ghk s ASP 64 Cb 0.00 -1.03 -0.03 0.00 -1.46 0.00 0.00 42.92 40.39 1ghk s ASP 64 CO 0.00 -1.73 0.35 0.28 0.52 0.00 0.00 175.17 174.59 1ghk s THR 65 N -3.34 5.27 0.26 1.71 -1.32 -1.26 -1.68 115.64 115.27 1ghk s THR 65 Ca 0.62 -0.94 0.10 0.00 -1.21 0.00 0.00 61.69 60.26 1ghk s THR 65 Cb -0.10 -3.84 -0.05 0.00 -1.51 0.00 0.00 72.50 67.00 1ghk s THR 65 CO 0.46 -0.30 -0.17 0.68 -2.21 0.00 0.00 174.62 173.08 1ghk s VAL 66 N -1.95 2.17 0.41 5.08 -7.23 -0.66 -4.78 120.40 113.44 1ghk s VAL 66 Ca 0.34 -2.32 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1ghk s VAL 66 Cb -0.09 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1ghk s VAL 66 CO 0.29 -0.45 0.06 -0.22 -0.31 0.00 0.00 175.10 174.47 1ghk s LEU 67 N -3.45 2.26 -1.05 1.32 0.20 -1.26 -3.42 118.68 113.28 1ghk s LEU 67 Ca 0.28 -1.54 -0.23 0.00 0.69 0.00 0.00 54.13 53.33 1ghk s LEU 67 Cb -0.03 -0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 45.24 1ghk s LEU 67 CO 0.12 -0.74 1.83 -0.55 -0.29 0.00 0.00 176.35 176.71 1ghk s SER 68 N -3.66 5.57 0.00 3.68 0.15 -1.26 -2.41 113.70 115.77 1ghk s SER 68 Ca 0.25 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.57 1ghk s SER 68 Cb 0.05 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1ghk s SER 68 CO 0.12 -2.42 0.00 0.61 1.20 0.00 0.00 173.24 172.76 1ghk n GLY 69 N 6.38 1.58 3.65 9.45 0.00 -1.26 -4.95 105.19 120.04 1ghk n GLY 69 Ca 0.41 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.14 4.14 0.18 1.61 2.56 -1.01 -4.75 118.70 121.28 1ghk s GLU 70 Ca 0.00 1.30 -0.31 0.00 0.00 0.00 0.00 54.97 55.96 1ghk s GLU 70 Cb 0.00 -3.73 -0.10 0.00 2.00 0.00 0.00 34.13 32.30 1ghk s GLU 70 CO 0.00 -0.81 1.48 -1.17 -0.56 0.00 0.00 175.26 174.20 1ghk s LEU 71 N 3.59 4.38 -0.00 2.70 0.20 -1.26 -1.74 118.68 126.54 1ghk s LEU 71 Ca 0.48 2.57 0.04 0.00 0.69 0.00 0.00 54.13 57.91 1ghk s LEU 71 Cb -0.16 -3.60 -0.06 0.00 -0.43 0.00 0.00 46.19 41.95 1ghk s LEU 71 CO 0.13 -0.74 0.16 0.18 -0.29 0.00 0.00 176.35 175.79 1ghk n LEU 72 N 3.42 0.14 0.00 -0.68 4.77 -1.01 -4.68 117.00 118.96 1ghk n LEU 72 Ca 0.11 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1ghk n LEU 72 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1ghk n LEU 72 CO 0.60 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1ghk n GLY 73 N 1.50 1.88 3.26 -0.72 0.00 -1.24 -1.42 105.19 108.45 1ghk n GLY 73 Ca 0.00 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 1ghk n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ghk s LYS 74 N -2.00 1.35 0.17 1.61 1.02 -1.26 -1.55 119.74 119.08 1ghk s LYS 74 Ca 0.00 -0.99 -0.10 0.00 0.02 0.00 0.00 55.97 54.89 1ghk s LYS 74 Cb 0.00 -1.50 -0.07 0.00 -0.52 0.00 0.00 37.83 35.75 1ghk s LYS 74 CO 0.00 0.38 0.51 -1.17 -0.92 0.00 0.00 175.35 174.14 1ghk s LEU 75 N -1.34 4.25 0.00 3.17 2.96 -0.75 -0.58 118.68 126.40 1ghk s LEU 75 Ca 0.07 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 1ghk s LEU 75 Cb -0.09 -3.43 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1ghk s LEU 75 CO 0.02 0.03 0.00 1.07 -1.32 0.00 0.00 176.35 176.15 1ghk n THR 76 N 0.30 0.00 -2.11 3.68 5.66 -0.46 -3.65 114.28 117.70 1ghk n THR 76 Ca -0.03 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.70 1ghk n THR 76 Cb 0.52 -0.49 0.13 0.00 -1.55 0.00 0.00 70.33 68.94 1ghk n THR 76 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1ghk s GLU 77 N 2.54 1.35 -0.29 1.09 2.02 -1.26 -3.15 118.70 121.00 1ghk s GLU 77 Ca 0.00 -0.44 -0.25 0.00 0.02 0.00 0.00 54.97 54.30 1ghk s GLU 77 Cb 0.00 -2.02 0.15 0.00 0.10 0.00 0.00 34.13 32.35 1ghk s GLU 77 CO 0.00 -1.87 1.17 0.20 0.02 0.00 0.00 175.26 174.78 1ghk s GLY 78 N -4.74 0.02 0.00 -1.39 0.00 -1.26 -2.83 107.32 97.12 1ghk s GLY 78 Ca 0.68 2.96 0.00 0.00 0.00 0.00 0.00 44.72 48.36 1ghk s GLY 78 CO 0.49 1.86 0.00 0.61 0.00 0.00 0.00 173.10 176.06