#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 0.35 -0.09 0.00 -1.09 -1.26 -5.00 121.20 114.11 1ghk s ILE 2 Ca 0.00 -0.46 -0.21 0.00 -2.23 0.00 0.00 60.65 57.75 1ghk s ILE 2 Cb 0.00 -0.91 -0.04 0.00 -1.58 0.00 0.00 42.46 39.93 1ghk s ILE 2 CO 0.00 -0.24 0.59 -0.62 -1.23 0.00 0.00 174.94 173.44 1ghk s ASP 3 N 1.94 6.83 -0.19 3.58 -1.08 -1.26 -0.98 116.67 125.51 1ghk s ASP 3 Ca -0.00 0.99 -0.07 0.00 -0.52 0.00 0.00 52.55 52.96 1ghk s ASP 3 Cb -0.17 -2.35 -0.04 0.00 -1.46 0.00 0.00 42.92 38.91 1ghk s ASP 3 CO -0.09 -0.06 0.05 -0.63 0.52 0.00 0.00 175.17 174.96 1ghk s ILE 4 N 0.72 4.60 0.38 4.11 1.09 -0.93 -4.99 121.20 126.18 1ghk s ILE 4 Ca 0.32 -0.10 0.04 0.00 -1.10 0.00 0.00 60.65 59.80 1ghk s ILE 4 Cb -0.16 -3.07 -0.03 0.00 -1.06 0.00 0.00 42.46 38.13 1ghk s ILE 4 CO 0.14 0.45 0.12 -0.54 -0.10 0.00 0.00 174.94 175.01 1ghk s LYS 5 N 0.50 1.84 0.46 2.79 1.02 -1.26 -2.34 119.74 122.76 1ghk s LYS 5 Ca 0.02 -2.10 -0.10 0.00 0.02 0.00 0.00 55.97 53.81 1ghk s LYS 5 Cb -0.13 -0.59 -0.06 0.00 -0.52 0.00 0.00 37.83 36.54 1ghk s LYS 5 CO 0.01 -0.43 0.83 0.00 -0.92 0.00 0.00 175.35 174.84 1ghk s ALA 6 N -3.27 3.30 0.13 5.17 0.00 -0.02 -4.87 121.76 122.19 1ghk s ALA 6 Ca 0.27 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 1ghk s ALA 6 Cb 0.04 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 20.32 1ghk s ALA 6 CO 0.15 -0.20 1.03 -1.25 0.00 0.00 0.00 175.76 175.49 1ghk s PRO 7 N -4.24 4.64 -0.39 0.00 0.04 -1.26 -3.09 135.00 130.70 1ghk s PRO 7 Ca 0.52 1.57 -0.41 0.00 0.04 0.00 0.00 61.00 62.72 1ghk s PRO 7 Cb -0.10 -3.34 -0.16 0.00 0.04 0.00 0.00 34.50 30.93 1ghk s PRO 7 CO 0.37 0.12 1.93 2.41 0.04 0.00 0.00 177.00 181.87 1ghk n THR 8 N 2.76 0.15 -1.97 1.26 -1.04 -1.26 -4.60 114.28 109.59 1ghk n THR 8 Ca 0.03 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.05 61.59 1ghk n THR 8 Cb 0.48 -1.04 0.04 0.00 -1.82 0.00 0.00 70.33 67.99 1ghk n THR 8 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1ghk s PHE 9 N 5.02 2.37 0.95 -1.42 0.08 -1.26 -5.01 117.98 118.70 1ghk s PHE 9 Ca 1.08 1.49 -0.15 0.00 0.12 0.00 0.00 56.93 59.47 1ghk s PHE 9 Cb -1.19 -3.54 0.17 0.00 -0.57 0.00 0.00 43.02 37.88 1ghk s PHE 9 CO 0.64 -2.35 1.24 -1.25 -0.10 0.00 0.00 175.22 173.40 1ghk s PRO 10 N -3.23 0.82 0.01 0.24 0.04 -1.26 -4.97 135.00 126.64 1ghk s PRO 10 Ca 0.76 -0.14 -0.25 0.00 0.04 0.00 0.00 61.00 61.42 1ghk s PRO 10 Cb -0.32 -1.84 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 1ghk s PRO 10 CO 0.36 -2.34 1.21 1.49 0.04 0.00 0.00 177.00 177.76 1ghk h GLU 11 N -1.59 -0.46 -0.99 4.56 4.81 -2.03 -2.98 114.58 115.89 1ghk h GLU 11 Ca -0.46 0.03 0.35 0.00 -0.13 0.00 0.00 59.36 59.15 1ghk h GLU 11 Cb 1.28 0.11 -0.16 0.00 0.63 0.00 0.00 28.75 30.60 1ghk h GLU 11 CO 0.48 -0.15 0.49 1.03 -0.73 0.00 0.00 179.01 180.13 1ghk h SER 12 N -0.82 0.33 -3.13 1.04 0.87 -2.04 -3.38 113.55 106.42 1ghk h SER 12 Ca -0.05 0.22 -0.55 0.00 -1.23 0.00 0.00 61.79 60.19 1ghk h SER 12 Cb 0.53 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1ghk h SER 12 CO 0.08 -0.26 -0.25 -0.63 -0.53 0.00 0.00 176.83 175.24 1ghk s ILE 13 N -5.66 5.11 0.00 2.23 -1.09 -1.12 -4.99 121.20 115.67 1ghk s ILE 13 Ca -0.10 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 1ghk s ILE 13 Cb 0.31 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 1ghk s ILE 13 CO 0.78 -0.13 0.80 0.00 -1.23 0.00 0.00 174.94 175.17 1ghk n ALA 14 N -0.41 1.68 0.00 9.38 0.00 -1.26 -4.46 120.51 125.44 1ghk n ALA 14 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1ghk n ALA 14 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.32 0.00 -2.15 0.00 5.68 -1.26 -4.98 116.55 113.52 1ghk n ASP 15 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.22 1ghk n ASP 15 Cb 0.31 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.30 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 -0.06 1.75 3.20 6.12 0.00 -1.10 -4.56 105.19 110.53 1ghk n GLY 16 Ca 0.00 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.52 -0.09 1.02 2.61 2.01 0.12 -1.52 115.64 117.27 1ghk s THR 17 Ca 0.13 0.12 -0.21 0.00 0.31 0.00 0.00 61.69 62.04 1ghk s THR 17 Cb -0.02 -0.55 -0.10 0.00 0.01 0.00 0.00 72.50 71.85 1ghk s THR 17 CO 0.09 0.05 -0.79 0.52 -0.69 0.00 0.00 174.62 173.80 1ghk n VAL 18 N 4.37 0.00 0.00 3.82 0.31 -0.81 -0.58 118.33 125.44 1ghk n VAL 18 Ca -0.22 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 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 -3.40 2.38 -3.64 3.52 0.00 -0.33 -4.06 120.51 114.98 1ghk n ALA 19 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1ghk n ALA 19 Cb 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.72 -0.25 -1.00 0.00 2.01 -1.23 -4.72 115.64 109.73 1ghk s THR 20 Ca 0.00 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1ghk s THR 20 Cb 0.00 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.65 1ghk s THR 20 CO 0.00 0.00 1.20 0.26 -0.69 0.00 0.00 174.62 175.39 1ghk s TRP 21 N 1.96 3.24 0.17 4.92 0.52 -1.26 -2.75 118.94 125.73 1ghk s TRP 21 Ca -0.09 -1.61 -0.27 0.00 0.02 0.00 0.00 56.10 54.15 1ghk s TRP 21 Cb -0.07 -4.28 0.01 0.00 -1.15 0.00 0.00 33.47 27.99 1ghk s TRP 21 CO -0.20 -1.45 1.55 0.45 0.02 0.00 0.00 176.95 177.32 1ghk h HIS 22 N 8.36 -1.54 -0.61 -1.98 3.86 -1.96 -3.41 115.15 117.87 1ghk h HIS 22 Ca 0.20 0.10 -0.55 0.00 -1.16 0.00 0.00 60.37 58.96 1ghk h HIS 22 Cb 0.98 0.78 -0.02 0.00 1.06 0.00 0.00 27.41 30.21 1ghk h HIS 22 CO 1.14 -0.41 -0.22 0.15 0.86 0.00 0.00 177.93 179.45 1ghk s LYS 23 N -5.70 2.26 0.38 2.45 1.02 -1.26 -5.13 119.74 113.76 1ghk s LYS 23 Ca -0.13 -1.90 0.08 0.00 0.02 0.00 0.00 55.97 54.04 1ghk s LYS 23 Cb 0.13 -2.30 -0.07 0.00 -0.52 0.00 0.00 37.83 35.08 1ghk s LYS 23 CO 0.65 -0.73 0.01 0.15 -0.92 0.00 0.00 175.35 174.50 1ghk s LYS 24 N -4.44 1.98 0.18 1.68 1.02 -1.26 -4.99 119.74 113.91 1ghk s LYS 24 Ca 0.44 -1.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.18 1ghk s LYS 24 Cb -0.03 -1.77 -0.07 0.00 -0.52 0.00 0.00 37.83 35.43 1ghk s LYS 24 CO 0.28 0.03 1.05 -1.25 -0.92 0.00 0.00 175.35 174.54 1ghk s PRO 25 N -3.71 4.65 0.00 -1.68 0.04 -1.26 -3.56 135.00 129.48 1ghk s PRO 25 Ca 0.35 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1ghk s PRO 25 Cb 0.05 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1ghk s PRO 25 CO 0.19 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.80 1ghk n GLY 26 N 1.97 0.64 2.16 0.56 0.00 -1.18 -4.85 105.19 104.48 1ghk n GLY 26 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.17 0.29 -4.07 1.61 1.02 -1.23 -4.83 120.64 112.26 1ghk n GLU 27 Ca 0.00 -1.54 -0.32 0.00 -0.02 0.00 0.00 57.16 55.28 1ghk n GLU 27 Cb 0.00 -0.34 -0.07 0.00 -0.02 0.00 0.00 31.44 31.02 1ghk n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ghk s ALA 28 N -2.91 3.60 0.22 0.62 0.00 -1.26 -3.47 121.76 118.57 1ghk s ALA 28 Ca 0.36 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 1ghk s ALA 28 Cb -0.02 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 1ghk s ALA 28 CO 0.24 0.73 0.35 0.14 0.00 0.00 0.00 175.76 177.21 1ghk s VAL 29 N -1.30 0.01 0.02 0.00 -7.23 -1.03 -5.02 120.40 105.84 1ghk s VAL 29 Ca 0.27 -1.60 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1ghk s VAL 29 Cb -0.12 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 1ghk s VAL 29 CO 0.18 -0.03 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.09 1ghk s LYS 30 N -4.06 0.72 0.63 4.82 2.20 -1.26 -2.95 119.74 119.84 1ghk s LYS 30 Ca 0.27 -0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 55.20 1ghk s LYS 30 Cb 0.02 -0.67 -0.13 0.00 -1.51 0.00 0.00 37.83 35.55 1ghk s LYS 30 CO 0.09 0.17 -0.06 0.54 -0.36 0.00 0.00 175.35 175.73 1ghk n ARG 31 N 2.35 0.11 -3.05 4.03 1.74 -1.26 -2.77 116.66 117.81 1ghk n ARG 31 Ca -0.16 0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 56.84 1ghk n ARG 31 Cb 0.56 -1.21 0.04 0.00 -1.02 0.00 0.00 32.46 30.83 1ghk n ARG 31 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ghk n ASP 32 N 2.00 -3.99 -3.65 0.55 2.03 -1.17 -4.94 116.55 107.39 1ghk n ASP 32 Ca 0.07 -0.30 -0.20 0.00 0.52 0.00 0.00 54.79 54.87 1ghk n ASP 32 Cb 0.49 -3.00 -0.17 0.00 -0.72 0.00 0.00 41.12 37.72 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 -5.55 -0.01 1.00 -0.67 2.12 -1.11 -4.91 118.70 109.57 1ghk s GLU 33 Ca 0.27 0.31 -0.19 0.00 0.36 0.00 0.00 54.97 55.72 1ghk s GLU 33 Cb -0.12 -0.77 -0.11 0.00 0.26 0.00 0.00 34.13 33.39 1ghk s GLU 33 CO 0.40 -0.41 -0.74 -0.11 -0.54 0.00 0.00 175.26 173.85 1ghk n LEU 34 N 5.30 -4.06 0.00 2.70 7.94 -1.26 -1.01 117.00 126.61 1ghk n LEU 34 Ca -0.04 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 1ghk n LEU 34 Cb 0.50 -0.78 0.00 0.00 0.53 0.00 0.00 43.42 43.67 1ghk n LEU 34 CO 0.07 -4.53 0.00 -0.38 -1.11 0.00 0.00 177.39 171.43 1ghk n ILE 35 N -3.09 0.00 -3.63 1.96 5.41 0.10 -4.57 119.36 115.55 1ghk n ILE 35 Ca -0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 1ghk n ILE 35 Cb 0.61 -0.09 -0.07 0.00 -0.71 0.00 0.00 39.64 39.38 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 -1.33 0.00 0.05 1.39 0.11 -1.02 -3.54 120.40 116.07 1ghk s VAL 36 Ca 0.00 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 1ghk s VAL 36 Cb 0.00 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1ghk s VAL 36 CO 0.00 -0.02 -0.00 -1.81 -3.33 0.00 0.00 175.10 169.94 1ghk s ASP 37 N -0.18 5.04 0.08 3.54 1.01 -1.11 0.07 116.67 125.12 1ghk s ASP 37 Ca -0.04 -0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.14 1ghk s ASP 37 Cb -0.03 -1.25 -0.04 0.00 1.01 0.00 0.00 42.92 42.61 1ghk s ASP 37 CO 0.03 0.22 0.12 -0.63 0.21 0.00 0.00 175.17 175.13 1ghk s ILE 38 N -1.20 4.77 -0.32 0.77 1.01 -0.61 -1.18 121.20 124.44 1ghk s ILE 38 Ca 0.23 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1ghk s ILE 38 Cb -0.12 -3.32 0.10 0.00 0.01 0.00 0.00 42.46 39.14 1ghk s ILE 38 CO 0.14 0.10 0.10 -0.70 0.00 0.00 0.00 174.94 174.59 1ghk s GLU 39 N -2.50 0.74 0.01 2.79 -6.30 0.25 -1.45 118.70 112.25 1ghk s GLU 39 Ca 0.31 -1.13 0.00 0.00 -2.50 0.00 0.00 54.97 51.65 1ghk s GLU 39 Cb -0.12 -2.01 0.00 0.00 0.00 0.00 0.00 34.13 32.00 1ghk s GLU 39 CO 0.24 -1.00 0.01 -2.37 0.02 0.00 0.00 175.26 172.16 1ghk n THR 40 N 4.78 0.00 -0.30 -1.70 5.66 -0.93 -0.70 114.28 121.08 1ghk n THR 40 Ca -0.01 -0.02 -0.06 0.00 -3.05 0.00 0.00 64.05 60.90 1ghk n THR 40 Cb 0.42 -1.31 -0.02 0.00 -1.55 0.00 0.00 70.33 67.86 1ghk n THR 40 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1ghk h ASP 41 N -0.01 -1.59 -0.57 1.09 3.58 -1.96 -3.30 116.42 113.66 1ghk h ASP 41 Ca -0.00 0.28 -0.30 0.00 0.42 0.00 0.00 57.03 57.43 1ghk h ASP 41 Cb 0.02 0.75 -0.30 0.00 1.72 0.00 0.00 39.33 41.52 1ghk h ASP 41 CO 0.01 -0.30 -0.85 0.29 -2.88 0.00 0.00 179.24 175.51 1ghk n LYS 42 N -5.40 1.18 -3.27 0.28 5.02 -1.26 -5.06 118.16 109.65 1ghk n LYS 42 Ca 0.05 -2.66 -0.05 0.00 -2.02 0.00 0.00 58.31 53.63 1ghk n LYS 42 Cb 0.35 -0.75 -0.05 0.00 -0.02 0.00 0.00 35.03 34.56 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 -1.77 -0.74 -0.51 -0.18 1.01 -1.24 -5.11 120.40 111.85 1ghk s VAL 43 Ca 0.25 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 1ghk s VAL 43 Cb 0.43 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.94 1ghk s VAL 43 CO -0.02 -0.12 0.78 -0.69 0.00 0.00 0.00 175.10 175.05 1ghk s VAL 44 N 2.64 4.64 0.75 2.92 1.01 -1.26 -2.18 120.40 128.92 1ghk s VAL 44 Ca 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1ghk s VAL 44 Cb -0.14 -4.39 0.13 0.00 0.00 0.00 0.00 36.38 31.98 1ghk s VAL 44 CO -0.22 -0.90 1.03 -0.04 0.00 0.00 0.00 175.10 174.97 1ghk s MET 45 N 3.28 1.59 0.07 2.72 -1.94 -0.53 -4.87 119.30 119.63 1ghk s MET 45 Ca 0.24 -0.97 0.04 0.00 -1.71 0.00 0.00 55.69 53.29 1ghk s MET 45 Cb -0.15 -2.26 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 1ghk s MET 45 CO 0.17 -1.54 -0.11 -1.21 -0.01 0.00 0.00 175.02 172.32 1ghk s GLU 46 N -5.23 0.75 -0.25 2.03 2.02 -1.26 -1.57 118.70 115.18 1ghk s GLU 46 Ca 0.67 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1ghk s GLU 46 Cb -0.06 -0.60 0.07 0.00 0.10 0.00 0.00 34.13 33.64 1ghk s GLU 46 CO 0.45 0.12 -0.01 0.08 0.02 0.00 0.00 175.26 175.92 1ghk s VAL 47 N -1.65 1.39 0.69 2.63 1.01 0.11 -4.88 120.40 119.71 1ghk s VAL 47 Ca -0.02 -1.28 -0.00 0.00 0.00 0.00 0.00 61.98 60.68 1ghk s VAL 47 Cb -0.08 -1.77 0.11 0.00 0.00 0.00 0.00 36.38 34.64 1ghk s VAL 47 CO 0.01 -0.25 0.96 -0.76 0.00 0.00 0.00 175.10 175.06 1ghk s LEU 48 N 1.43 3.01 -0.15 3.92 1.02 -1.26 0.00 118.68 126.66 1ghk s LEU 48 Ca -0.01 -0.33 -0.28 0.00 0.02 0.00 0.00 54.13 53.53 1ghk s LEU 48 Cb -0.18 -2.09 -0.01 0.00 0.02 0.00 0.00 46.19 43.93 1ghk s LEU 48 CO -0.09 -1.76 0.94 0.00 0.02 0.00 0.00 176.35 175.46 1ghk s ALA 49 N -3.08 3.50 -1.33 4.21 0.00 -0.18 -4.73 121.76 120.15 1ghk s ALA 49 Ca 0.65 0.20 0.12 0.00 0.00 0.00 0.00 51.96 52.93 1ghk s ALA 49 Cb -0.06 -3.37 0.48 0.00 0.00 0.00 0.00 23.12 20.17 1ghk s ALA 49 CO 0.43 -0.70 1.34 -1.91 0.00 0.00 0.00 175.76 174.92 1ghk n GLU 50 N 5.32 2.76 0.00 0.00 0.00 -1.26 -3.02 120.64 124.44 1ghk n GLU 50 Ca 0.07 -1.88 0.00 0.00 0.00 0.00 0.00 57.16 55.35 1ghk n GLU 50 Cb 0.48 -1.66 0.00 0.00 0.00 0.00 0.00 31.44 30.27 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ghk n ALA 51 N 0.69 0.00 -0.44 4.31 0.00 -1.26 -5.03 120.51 118.77 1ghk n ALA 51 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.33 1ghk n ALA 51 Cb 0.62 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.33 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 -2.19 0.00 0.00 -0.08 -1.26 -4.61 116.55 108.41 1ghk n ASP 52 Ca 0.00 -0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.00 1ghk n ASP 52 Cb 0.00 -1.20 0.00 0.00 2.34 0.00 0.00 41.12 42.26 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 1.23 0.31 2.81 0.27 0.00 -1.15 -4.78 105.19 103.89 1ghk n GLY 53 Ca 0.03 -1.52 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.50 0.04 1.12 1.61 1.01 -1.26 -2.47 120.40 117.96 1ghk s VAL 54 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 1ghk s VAL 54 Cb 0.00 -0.14 0.26 0.00 0.00 0.00 0.00 36.38 36.50 1ghk s VAL 54 CO 0.00 0.09 1.05 -0.63 0.00 0.00 0.00 175.10 175.61 1ghk s ILE 55 N 0.82 2.02 -0.03 2.22 -1.09 -1.23 -1.02 121.20 122.90 1ghk s ILE 55 Ca -0.07 0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.31 1ghk s ILE 55 Cb -0.11 -2.19 -0.01 0.00 -1.58 0.00 0.00 42.46 38.57 1ghk s ILE 55 CO -0.02 -0.01 -0.08 0.00 -1.23 0.00 0.00 174.94 173.60 1ghk n ALA 56 N -4.73 1.49 -3.62 9.38 0.00 -0.15 -3.13 120.51 119.75 1ghk n ALA 56 Ca 0.03 -0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 1ghk n ALA 56 Cb 0.55 0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 1ghk n ALA 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ghk s GLU 57 N -1.63 0.63 -0.20 0.00 2.56 -1.26 -4.15 118.70 114.65 1ghk s GLU 57 Ca -0.07 0.64 -0.15 0.00 0.00 0.00 0.00 54.97 55.39 1ghk s GLU 57 Cb 0.01 0.31 -0.04 0.00 2.00 0.00 0.00 34.13 36.41 1ghk s GLU 57 CO 0.10 -0.10 0.37 0.42 -0.56 0.00 0.00 175.26 175.49 1ghk s ILE 58 N 0.06 5.22 -0.60 -3.70 -1.09 -1.26 -3.46 121.20 116.37 1ghk s ILE 58 Ca 0.01 0.64 0.24 0.00 -2.23 0.00 0.00 60.65 59.31 1ghk s ILE 58 Cb -0.04 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 1ghk s ILE 58 CO -0.03 0.27 1.22 0.58 -1.23 0.00 0.00 174.94 175.76 1ghk h VAL 59 N 5.01 0.00 -3.31 2.92 2.07 -1.45 -3.45 116.25 118.04 1ghk h VAL 59 Ca -0.37 -0.53 -0.64 0.00 0.82 0.00 0.00 66.70 65.99 1ghk h VAL 59 Cb 1.16 1.03 -0.23 0.00 -1.52 0.00 0.00 31.29 31.73 1ghk h VAL 59 CO 0.71 0.00 -0.70 -0.54 0.02 0.00 0.00 177.57 177.07 1ghk s LYS 60 N -3.19 3.58 0.34 1.57 3.01 -1.24 -5.03 119.74 118.77 1ghk s LYS 60 Ca 0.05 -0.57 0.07 0.00 -1.01 0.00 0.00 55.97 54.51 1ghk s LYS 60 Cb 0.13 -2.82 -0.02 0.00 -1.01 0.00 0.00 37.83 34.11 1ghk s LYS 60 CO 0.75 0.24 0.33 -0.80 0.51 0.00 0.00 175.35 176.37 1ghk s ASN 61 N 0.34 5.38 0.26 2.83 0.01 -1.26 -5.03 114.94 117.48 1ghk s ASN 61 Ca -0.06 -0.46 -0.30 0.00 -0.71 0.00 0.00 52.86 51.33 1ghk s ASN 61 Cb -0.15 -0.99 -0.10 0.00 0.41 0.00 0.00 41.25 40.42 1ghk s ASN 61 CO 0.04 -0.38 1.35 -1.61 -1.51 0.00 0.00 177.10 174.99 1ghk s GLU 62 N -4.03 4.34 0.00 -0.60 2.02 -1.26 -2.50 118.70 116.67 1ghk s GLU 62 Ca 0.42 2.20 0.00 0.00 0.02 0.00 0.00 54.97 57.61 1ghk s GLU 62 Cb -0.06 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1ghk s GLU 62 CO 0.27 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.68 1ghk n GLY 63 N 1.76 0.69 3.92 -1.39 0.00 -1.26 -5.01 105.19 103.90 1ghk n GLY 63 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.73 5.19 0.27 1.61 2.15 -1.04 -4.94 116.67 117.18 1ghk s ASP 64 Ca 0.00 -0.69 0.03 0.00 0.43 0.00 0.00 52.55 52.32 1ghk s ASP 64 Cb 0.00 -0.50 -0.03 0.00 -0.30 0.00 0.00 42.92 42.08 1ghk s ASP 64 CO 0.00 -0.74 0.41 0.28 -0.17 0.00 0.00 175.17 174.96 1ghk s THR 65 N -2.47 5.22 -0.05 1.71 -1.32 -1.26 -1.92 115.64 115.55 1ghk s THR 65 Ca 0.50 -0.80 0.02 0.00 -1.21 0.00 0.00 61.69 60.19 1ghk s THR 65 Cb -0.05 -3.85 0.02 0.00 -1.51 0.00 0.00 72.50 67.11 1ghk s THR 65 CO 0.29 -0.38 -0.07 0.68 -2.21 0.00 0.00 174.62 172.93 1ghk s VAL 66 N -2.06 0.72 0.51 5.08 -7.23 -0.57 -4.81 120.40 112.03 1ghk s VAL 66 Ca 0.36 -0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 1ghk s VAL 66 Cb -0.09 -0.70 0.02 0.00 0.56 0.00 0.00 36.38 36.17 1ghk s VAL 66 CO 0.31 0.26 0.72 -0.76 -0.31 0.00 0.00 175.10 175.32 1ghk s LEU 67 N 0.75 3.41 0.21 1.32 1.02 -1.26 -2.72 118.68 121.41 1ghk s LEU 67 Ca -0.12 0.01 -0.32 0.00 0.02 0.00 0.00 54.13 53.72 1ghk s LEU 67 Cb -0.14 -2.91 -0.12 0.00 0.02 0.00 0.00 46.19 43.05 1ghk s LEU 67 CO 0.01 -0.99 1.70 -0.55 0.02 0.00 0.00 176.35 176.54 1ghk s SER 68 N -4.37 6.41 -0.69 2.29 0.15 -1.26 -1.43 113.70 114.80 1ghk s SER 68 Ca 0.55 2.84 0.00 0.00 0.70 0.00 0.00 55.95 60.04 1ghk s SER 68 Cb -0.10 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1ghk s SER 68 CO 0.38 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1ghk n GLY 69 N 3.86 0.29 3.72 9.45 0.00 -1.18 -4.97 105.19 116.37 1ghk n GLY 69 Ca 0.15 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.94 4.60 -0.16 1.61 2.56 -0.51 -4.63 118.70 118.23 1ghk s GLU 70 Ca 0.00 1.37 -0.29 0.00 0.00 0.00 0.00 54.97 56.05 1ghk s GLU 70 Cb 0.00 -3.42 -0.01 0.00 2.00 0.00 0.00 34.13 32.70 1ghk s GLU 70 CO 0.00 0.08 1.10 -1.17 -0.56 0.00 0.00 175.26 174.71 1ghk s LEU 71 N 0.55 4.18 -0.06 2.70 0.20 -1.26 -0.84 118.68 124.14 1ghk s LEU 71 Ca 0.48 1.55 0.19 0.00 0.69 0.00 0.00 54.13 57.04 1ghk s LEU 71 Cb -0.22 -3.55 -0.24 0.00 -0.43 0.00 0.00 46.19 41.76 1ghk s LEU 71 CO 0.28 -0.62 0.44 0.18 -0.29 0.00 0.00 176.35 176.33 1ghk n LEU 72 N 5.90 0.27 0.00 -0.68 4.77 -0.99 -4.37 117.00 121.90 1ghk n LEU 72 Ca 0.11 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1ghk n LEU 72 Cb 0.46 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1ghk n LEU 72 CO 0.53 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1ghk n GLY 73 N 1.49 1.35 3.62 -0.72 0.00 -1.24 -1.38 105.19 108.30 1ghk n GLY 73 Ca -0.17 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 2.21 0.24 1.61 2.36 -1.23 -2.19 119.74 120.74 1ghk s LYS 74 Ca 0.00 -1.42 0.05 0.00 -2.55 0.00 0.00 55.97 52.05 1ghk s LYS 74 Cb 0.00 -2.13 -0.03 0.00 -1.05 0.00 0.00 37.83 34.62 1ghk s LYS 74 CO 0.00 0.37 0.34 -1.17 1.55 0.00 0.00 175.35 176.44 1ghk s LEU 75 N -3.53 4.25 0.00 5.43 2.96 -0.15 -0.97 118.68 126.66 1ghk s LEU 75 Ca 0.30 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1ghk s LEU 75 Cb -0.07 -2.79 0.00 0.00 0.50 0.00 0.00 46.19 43.84 1ghk s LEU 75 CO 0.19 -0.06 0.00 1.07 -1.32 0.00 0.00 176.35 176.22 1ghk n THR 76 N -1.36 0.00 0.00 3.68 5.66 -0.19 -4.18 114.28 117.89 1ghk n THR 76 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1ghk n THR 76 Cb 0.57 -1.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 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 0.00 0.00 1.09 -0.58 -1.26 -4.41 120.64 115.48 1ghk n GLU 77 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ghk n GLU 77 Cb 0.00 -0.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.67 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 1.74 2.68 0.00 0.62 0.00 -1.26 -4.89 105.19 104.07 1ghk n GLY 78 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93