#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 0.63 -0.21 0.00 1.01 -1.26 -5.00 121.20 116.37 1ghk s ILE 2 Ca 0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.28 1ghk s ILE 2 Cb 0.00 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1ghk s ILE 2 CO 0.00 -0.57 1.27 -0.62 0.00 0.00 0.00 174.94 175.02 1ghk s ASP 3 N 1.76 6.87 -0.62 3.58 2.15 -1.26 -1.09 116.67 128.06 1ghk s ASP 3 Ca 0.07 1.53 -0.18 0.00 0.43 0.00 0.00 52.55 54.40 1ghk s ASP 3 Cb -0.17 -2.54 0.12 0.00 -0.30 0.00 0.00 42.92 40.03 1ghk s ASP 3 CO -0.23 -0.86 0.69 -0.63 -0.17 0.00 0.00 175.17 173.97 1ghk s ILE 4 N 3.76 4.96 0.33 4.11 1.01 -0.48 -4.96 121.20 129.93 1ghk s ILE 4 Ca 0.55 -1.25 0.10 0.00 0.00 0.00 0.00 60.65 60.04 1ghk s ILE 4 Cb -0.20 -4.47 -0.06 0.00 0.01 0.00 0.00 42.46 37.74 1ghk s ILE 4 CO 0.17 -1.08 -0.08 -0.75 0.00 0.00 0.00 174.94 173.19 1ghk s LYS 5 N 2.25 1.88 0.86 2.79 2.20 -1.26 -1.61 119.74 126.84 1ghk s LYS 5 Ca 0.11 -1.85 -0.10 0.00 -0.36 0.00 0.00 55.97 53.77 1ghk s LYS 5 Cb -0.23 -1.79 0.11 0.00 -1.51 0.00 0.00 37.83 34.41 1ghk s LYS 5 CO 0.04 0.18 1.11 0.00 -0.36 0.00 0.00 175.35 176.32 1ghk s ALA 6 N -2.56 1.76 0.01 3.13 0.00 -0.55 -4.83 121.76 118.72 1ghk s ALA 6 Ca 0.33 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1ghk s ALA 6 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1ghk s ALA 6 CO 0.17 -2.32 1.05 -1.25 0.00 0.00 0.00 175.76 173.41 1ghk s PRO 7 N -4.78 4.51 -0.23 0.00 0.04 -1.26 -4.19 135.00 129.09 1ghk s PRO 7 Ca 0.64 1.53 -0.31 0.00 0.04 0.00 0.00 61.00 62.90 1ghk s PRO 7 Cb -0.20 -3.43 -0.08 0.00 0.04 0.00 0.00 34.50 30.83 1ghk s PRO 7 CO 0.57 -0.13 2.16 -2.37 0.04 0.00 0.00 177.00 177.27 1ghk n THR 8 N 3.94 0.35 -2.41 1.26 5.66 -1.26 -4.72 114.28 117.11 1ghk n THR 8 Ca 0.07 -0.33 -0.42 0.00 -3.05 0.00 0.00 64.05 60.32 1ghk n THR 8 Cb 0.49 -2.16 -0.03 0.00 -1.55 0.00 0.00 70.33 67.08 1ghk n THR 8 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1ghk s PHE 9 N 7.24 3.20 0.00 1.09 0.08 -1.26 -5.02 117.98 123.31 1ghk s PHE 9 Ca 1.02 1.17 0.00 0.00 0.12 0.00 0.00 56.93 59.24 1ghk s PHE 9 Cb -0.56 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.43 1ghk s PHE 9 CO 0.42 -1.50 0.00 -0.35 -0.10 0.00 0.00 175.22 173.69 1ghk n PRO 10 N 4.86 1.11 0.06 0.24 -0.04 -1.26 -4.92 135.00 135.04 1ghk n PRO 10 Ca 0.11 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 1ghk n PRO 10 Cb 0.46 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.22 -0.92 0.54 4.39 -2.04 -3.25 114.58 113.08 1ghk h GLU 11 Ca 0.00 0.01 0.26 0.00 0.34 0.00 0.00 59.36 59.97 1ghk h GLU 11 Cb 0.00 0.05 -0.16 0.00 -0.10 0.00 0.00 28.75 28.54 1ghk h GLU 11 CO 0.00 0.19 0.14 1.03 -1.16 0.00 0.00 179.01 179.21 1ghk h SER 12 N -0.90 -0.23 -3.02 1.42 0.87 -2.03 -3.39 113.55 106.28 1ghk h SER 12 Ca -0.02 0.24 -0.47 0.00 -1.23 0.00 0.00 61.79 60.31 1ghk h SER 12 Cb 0.51 0.37 0.03 0.00 -0.44 0.00 0.00 62.40 62.88 1ghk h SER 12 CO 0.04 -0.27 -0.03 -0.63 -0.53 0.00 0.00 176.83 175.41 1ghk s ILE 13 N -5.95 4.14 0.00 2.23 1.01 -1.23 -5.01 121.20 116.39 1ghk s ILE 13 Ca -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1ghk s ILE 13 Cb 0.28 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1ghk s ILE 13 CO 0.77 -0.44 0.57 0.00 0.00 0.00 0.00 174.94 175.85 1ghk n ALA 14 N -2.17 1.34 0.00 9.38 0.00 -1.26 -4.48 120.51 123.32 1ghk n ALA 14 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1ghk n ALA 14 Cb 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 0.00 -3.62 0.00 5.68 -1.26 -5.07 116.55 112.28 1ghk n ASP 15 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.24 1ghk n ASP 15 Cb 0.55 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.53 1ghk n ASP 15 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ghk s GLY 16 N 0.00 -0.07 -0.15 6.12 0.00 -1.26 -4.76 107.32 107.20 1ghk s GLY 16 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 44.72 44.49 1ghk s GLY 16 CO 0.00 0.30 0.33 -1.59 0.00 0.00 0.00 173.10 172.14 1ghk s THR 17 N -3.15 -0.24 1.10 0.90 2.01 -0.90 -1.74 115.64 113.61 1ghk s THR 17 Ca 0.14 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 1ghk s THR 17 Cb -0.03 -0.52 0.05 0.00 0.01 0.00 0.00 72.50 72.01 1ghk s THR 17 CO 0.05 0.07 -0.25 0.52 -0.69 0.00 0.00 174.62 174.32 1ghk n VAL 18 N 4.74 0.00 0.00 3.82 0.31 -0.76 -0.41 118.33 126.03 1ghk n VAL 18 Ca -0.17 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1ghk n VAL 18 Cb 0.52 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 -4.24 1.71 -3.64 3.52 0.00 -0.34 -3.67 120.51 113.85 1ghk n ALA 19 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1ghk n ALA 19 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.67 -0.00 -1.09 0.00 2.01 -1.24 -3.86 115.64 110.78 1ghk s THR 20 Ca 0.00 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 1ghk s THR 20 Cb 0.00 -0.98 0.16 0.00 0.01 0.00 0.00 72.50 71.68 1ghk s THR 20 CO 0.00 0.00 1.30 0.26 -0.69 0.00 0.00 174.62 175.49 1ghk s TRP 21 N 1.48 3.37 0.08 4.92 0.52 -1.26 -2.63 118.94 125.41 1ghk s TRP 21 Ca -0.09 -1.85 -0.16 0.00 0.02 0.00 0.00 56.10 54.02 1ghk s TRP 21 Cb -0.05 -4.29 -0.04 0.00 -1.15 0.00 0.00 33.47 27.94 1ghk s TRP 21 CO -0.17 -1.42 1.28 0.45 0.02 0.00 0.00 176.95 177.11 1ghk h HIS 22 N 7.81 -0.93 -4.06 -1.98 3.86 -1.95 -3.42 115.15 114.48 1ghk h HIS 22 Ca 0.25 0.06 -0.11 0.00 -1.16 0.00 0.00 60.37 59.41 1ghk h HIS 22 Cb 0.93 0.46 0.01 0.00 1.06 0.00 0.00 27.41 29.87 1ghk h HIS 22 CO 1.12 -0.22 0.01 1.63 0.86 0.00 0.00 177.93 181.34 1ghk n LYS 23 N -4.12 0.62 -4.35 2.45 4.01 -1.26 -5.13 118.16 110.38 1ghk n LYS 23 Ca -0.00 -0.65 -0.18 0.00 -0.51 0.00 0.00 58.31 56.97 1ghk n LYS 23 Cb 0.15 -0.12 -0.10 0.00 -0.51 0.00 0.00 35.03 34.45 1ghk n LYS 23 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1ghk s LYS 24 N -2.85 1.44 0.11 1.97 1.02 -1.26 -5.03 119.74 115.13 1ghk s LYS 24 Ca 0.15 -1.77 -0.30 0.00 0.02 0.00 0.00 55.97 54.07 1ghk s LYS 24 Cb -0.01 -0.54 -0.06 0.00 -0.52 0.00 0.00 37.83 36.70 1ghk s LYS 24 CO 0.10 -0.20 1.08 -1.25 -0.92 0.00 0.00 175.35 174.16 1ghk s PRO 25 N -3.94 4.56 0.00 -1.68 0.04 -1.26 -3.59 135.00 129.14 1ghk s PRO 25 Ca 0.34 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1ghk s PRO 25 Cb 0.07 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1ghk s PRO 25 CO 0.12 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1ghk n GLY 26 N 2.54 1.32 1.98 0.56 0.00 -1.23 -4.91 105.19 105.45 1ghk n GLY 26 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.52 0.59 -2.52 1.61 -0.58 -1.24 -4.90 120.64 113.08 1ghk n GLU 27 Ca 0.00 -1.51 -0.23 0.00 -0.42 0.00 0.00 57.16 55.00 1ghk n GLU 27 Cb 0.00 -0.20 0.07 0.00 -0.57 0.00 0.00 31.44 30.74 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 -2.59 3.66 0.04 0.62 0.00 -1.26 -3.61 121.76 118.62 1ghk s ALA 28 Ca 0.32 -1.38 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1ghk s ALA 28 Cb -0.02 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1ghk s ALA 28 CO 0.21 -1.12 0.03 0.08 0.00 0.00 0.00 175.76 174.96 1ghk s VAL 29 N -3.00 0.15 -0.06 0.00 1.01 -0.86 -4.88 120.40 112.76 1ghk s VAL 29 Ca 0.61 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1ghk s VAL 29 Cb -0.09 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1ghk s VAL 29 CO 0.42 -0.68 -0.08 -0.54 0.00 0.00 0.00 175.10 174.22 1ghk s LYS 30 N -2.69 1.24 0.17 2.72 -0.14 -1.26 -3.61 119.74 116.18 1ghk s LYS 30 Ca -0.04 -0.23 -0.31 0.00 -1.36 0.00 0.00 55.97 54.02 1ghk s LYS 30 Cb -0.01 -1.15 -0.17 0.00 -1.68 0.00 0.00 37.83 34.82 1ghk s LYS 30 CO -0.05 -0.07 0.80 -2.13 -0.76 0.00 0.00 175.35 173.14 1ghk n ARG 31 N 4.10 0.39 -2.32 1.68 0.63 -1.26 -1.28 116.66 118.60 1ghk n ARG 31 Ca -0.22 0.14 -0.06 0.00 -0.92 0.00 0.00 57.85 56.79 1ghk n ARG 31 Cb 0.51 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.06 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 1.80 -2.53 -4.00 6.15 2.03 -1.24 -4.98 116.55 113.79 1ghk n ASP 32 Ca 0.17 -0.05 -0.30 0.00 0.52 0.00 0.00 54.79 55.12 1ghk n ASP 32 Cb 0.23 -1.63 -0.16 0.00 -0.72 0.00 0.00 41.12 38.84 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 -4.61 2.09 0.57 -0.67 2.12 -0.40 -4.95 118.70 112.84 1ghk s GLU 33 Ca 0.05 -0.79 -0.18 0.00 0.36 0.00 0.00 54.97 54.41 1ghk s GLU 33 Cb -0.02 -2.36 -0.13 0.00 0.26 0.00 0.00 34.13 31.88 1ghk s GLU 33 CO 0.06 -0.39 0.04 -0.11 -0.54 0.00 0.00 175.26 174.33 1ghk n LEU 34 N 4.70 -2.36 0.00 2.70 7.94 -1.26 -2.87 117.00 125.85 1ghk n LEU 34 Ca -0.15 0.64 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 1ghk n LEU 34 Cb 0.47 -0.95 0.00 0.00 0.53 0.00 0.00 43.42 43.47 1ghk n LEU 34 CO 0.20 -4.31 -0.26 -0.38 -1.11 0.00 0.00 177.39 171.54 1ghk n ILE 35 N -1.68 0.00 -3.61 1.96 5.41 -0.29 -4.78 119.36 116.38 1ghk n ILE 35 Ca 0.08 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.70 1ghk n ILE 35 Cb 0.48 -0.74 -0.07 0.00 -0.71 0.00 0.00 39.64 38.60 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 -1.83 0.00 0.30 1.39 0.11 -1.02 -3.80 120.40 115.55 1ghk s VAL 36 Ca 0.00 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1ghk s VAL 36 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1ghk s VAL 36 CO 0.00 0.00 0.40 -1.81 -3.33 0.00 0.00 175.10 170.36 1ghk s ASP 37 N -0.08 6.03 0.21 3.54 1.01 -1.08 0.53 116.67 126.83 1ghk s ASP 37 Ca -0.01 -0.12 0.05 0.00 0.71 0.00 0.00 52.55 53.18 1ghk s ASP 37 Cb -0.04 -1.45 -0.05 0.00 1.01 0.00 0.00 42.92 42.39 1ghk s ASP 37 CO 0.01 -0.27 -0.07 -0.63 0.21 0.00 0.00 175.17 174.42 1ghk s ILE 38 N -2.11 1.32 0.06 0.77 1.01 -0.98 -1.20 121.20 120.08 1ghk s ILE 38 Ca 0.40 -2.09 0.03 0.00 0.00 0.00 0.00 60.65 58.99 1ghk s ILE 38 Cb -0.09 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 1ghk s ILE 38 CO 0.30 -0.49 -0.10 -1.61 0.00 0.00 0.00 174.94 173.04 1ghk s GLU 39 N -3.76 0.69 0.26 2.79 0.41 0.45 -1.59 118.70 117.95 1ghk s GLU 39 Ca 0.24 -0.93 0.06 0.00 -0.41 0.00 0.00 54.97 53.93 1ghk s GLU 39 Cb 0.03 -0.49 -0.02 0.00 -1.78 0.00 0.00 34.13 31.87 1ghk s GLU 39 CO 0.07 0.09 0.22 2.41 -0.49 0.00 0.00 175.26 177.56 1ghk n THR 40 N 1.14 0.00 -0.10 3.63 -1.04 -0.43 -2.11 114.28 115.37 1ghk n THR 40 Ca -0.20 -1.87 -0.04 0.00 -2.04 0.00 0.00 64.05 59.89 1ghk n THR 40 Cb 0.55 0.94 -0.04 0.00 -1.82 0.00 0.00 70.33 69.97 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 1.58 -0.71 -0.54 8.00 3.58 -1.99 -3.30 116.42 123.04 1ghk h ASP 41 Ca -0.18 0.10 -0.31 0.00 0.42 0.00 0.00 57.03 57.06 1ghk h ASP 41 Cb 0.93 0.30 -0.41 0.00 1.72 0.00 0.00 39.33 41.88 1ghk h ASP 41 CO 0.26 -0.11 -1.06 0.29 -2.88 0.00 0.00 179.24 175.74 1ghk n LYS 42 N -3.72 2.09 -3.69 0.28 5.02 -1.26 -5.05 118.16 111.83 1ghk n LYS 42 Ca -0.00 -3.64 -0.10 0.00 -2.02 0.00 0.00 58.31 52.55 1ghk n LYS 42 Cb 0.11 -1.73 -0.11 0.00 -0.02 0.00 0.00 35.03 33.28 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 -3.95 -0.13 -0.15 -0.18 1.01 -1.24 -5.14 120.40 110.61 1ghk s VAL 43 Ca 0.32 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.31 1ghk s VAL 43 Cb 0.35 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1ghk s VAL 43 CO -0.02 0.05 0.19 0.54 0.00 0.00 0.00 175.10 175.86 1ghk s VAL 44 N 1.62 5.39 0.13 2.92 0.11 -1.26 -1.31 120.40 128.00 1ghk s VAL 44 Ca -0.08 0.33 0.01 0.00 -2.93 0.00 0.00 61.98 59.31 1ghk s VAL 44 Cb -0.09 -3.50 0.01 0.00 -1.53 0.00 0.00 36.38 31.26 1ghk s VAL 44 CO -0.13 0.50 0.06 0.23 -3.33 0.00 0.00 175.10 172.43 1ghk n MET 45 N 2.84 1.47 -3.76 1.54 2.81 -0.62 -4.98 117.12 116.42 1ghk n MET 45 Ca -0.16 -0.90 -0.10 0.00 -1.81 0.00 0.00 57.70 54.73 1ghk n MET 45 Cb 0.53 0.17 -0.04 0.00 -0.71 0.00 0.00 33.22 33.17 1ghk n MET 45 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1ghk s GLU 46 N -2.52 1.35 -0.26 0.03 -1.05 -1.26 -2.33 118.70 112.65 1ghk s GLU 46 Ca 0.04 -0.89 -0.02 0.00 -0.15 0.00 0.00 54.97 53.95 1ghk s GLU 46 Cb -0.00 0.50 0.09 0.00 -0.44 0.00 0.00 34.13 34.28 1ghk s GLU 46 CO 0.03 -0.56 0.08 0.08 0.95 0.00 0.00 175.26 175.84 1ghk s VAL 47 N -3.88 0.54 0.48 1.83 1.01 0.19 -4.80 120.40 115.77 1ghk s VAL 47 Ca 0.10 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1ghk s VAL 47 Cb -0.00 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1ghk s VAL 47 CO -0.03 -0.52 0.70 -0.76 0.00 0.00 0.00 175.10 174.48 1ghk s LEU 48 N 1.81 3.51 0.08 3.92 2.01 -1.26 -1.13 118.68 127.62 1ghk s LEU 48 Ca 0.06 0.10 -0.25 0.00 0.01 0.00 0.00 54.13 54.05 1ghk s LEU 48 Cb -0.17 -2.99 -0.06 0.00 0.01 0.00 0.00 46.19 42.98 1ghk s LEU 48 CO -0.22 -0.87 0.77 0.00 1.01 0.00 0.00 176.35 177.04 1ghk s ALA 49 N -2.61 3.39 -2.01 4.21 0.00 -1.14 -4.81 121.76 118.80 1ghk s ALA 49 Ca 0.52 0.31 0.18 0.00 0.00 0.00 0.00 51.96 52.97 1ghk s ALA 49 Cb -0.10 -2.99 0.52 0.00 0.00 0.00 0.00 23.12 20.56 1ghk s ALA 49 CO 0.37 0.13 1.44 0.39 0.00 0.00 0.00 175.76 178.09 1ghk n GLU 50 N 2.46 2.37 0.00 0.00 1.02 -1.26 -3.59 120.64 121.65 1ghk n GLU 50 Ca -0.03 -2.13 0.00 0.00 -0.02 0.00 0.00 57.16 54.98 1ghk n GLU 50 Cb 0.50 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ghk n ALA 51 N 1.23 0.00 -0.47 0.62 0.00 -1.26 -5.00 120.51 115.63 1ghk n ALA 51 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1ghk n ALA 51 Cb 0.50 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.21 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 -2.23 0.00 0.00 -0.08 -1.26 -4.61 116.55 108.37 1ghk n ASP 52 Ca 0.00 -0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.01 1ghk n ASP 52 Cb 0.00 -1.17 0.00 0.00 2.34 0.00 0.00 41.12 42.29 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 1.32 0.30 3.00 0.27 0.00 -1.24 -4.37 105.19 104.48 1ghk n GLY 53 Ca 0.03 -1.47 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.26 1.14 0.78 1.61 1.01 -1.24 -2.03 120.40 118.41 1ghk s VAL 54 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1ghk s VAL 54 Cb 0.00 -1.07 0.07 0.00 0.00 0.00 0.00 36.38 35.38 1ghk s VAL 54 CO 0.00 0.36 1.16 -0.63 0.00 0.00 0.00 175.10 175.99 1ghk s ILE 55 N 0.95 2.52 -0.01 2.22 -1.09 -1.24 -1.30 121.20 123.25 1ghk s ILE 55 Ca -0.09 0.21 -0.01 0.00 -2.23 0.00 0.00 60.65 58.54 1ghk s ILE 55 Cb -0.15 -2.61 -0.00 0.00 -1.58 0.00 0.00 42.46 38.12 1ghk s ILE 55 CO 0.00 -0.18 -0.01 0.00 -1.23 0.00 0.00 174.94 173.52 1ghk n ALA 56 N -3.23 0.03 -3.63 9.38 0.00 -0.48 -3.51 120.51 119.07 1ghk n ALA 56 Ca 0.12 -0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 1ghk n ALA 56 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 1ghk n ALA 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ghk s GLU 57 N -1.07 0.35 -0.15 0.00 -1.05 -1.26 -4.35 118.70 111.16 1ghk s GLU 57 Ca -0.01 0.32 -0.15 0.00 -0.15 0.00 0.00 54.97 54.97 1ghk s GLU 57 Cb 0.00 0.17 -0.04 0.00 -0.44 0.00 0.00 34.13 33.81 1ghk s GLU 57 CO 0.01 -0.06 0.35 0.42 0.95 0.00 0.00 175.26 176.94 1ghk s ILE 58 N -0.16 5.26 -0.06 1.83 -1.09 -1.26 -3.84 121.20 121.89 1ghk s ILE 58 Ca 0.04 0.67 0.14 0.00 -2.23 0.00 0.00 60.65 59.27 1ghk s ILE 58 Cb -0.04 -3.69 -0.21 0.00 -1.58 0.00 0.00 42.46 36.94 1ghk s ILE 58 CO -0.08 0.36 0.70 0.52 -1.23 0.00 0.00 174.94 175.21 1ghk n VAL 59 N 3.69 1.51 -4.44 2.92 0.31 -0.86 -4.83 118.33 116.63 1ghk n VAL 59 Ca -0.10 -0.77 -0.34 0.00 -0.01 0.00 0.00 64.34 63.12 1ghk n VAL 59 Cb 0.52 -0.97 -0.12 0.00 -0.91 0.00 0.00 33.84 32.36 1ghk n VAL 59 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ghk s LYS 60 N -2.68 3.50 0.44 5.55 2.47 -1.26 -5.06 119.74 122.71 1ghk s LYS 60 Ca -0.04 -0.52 -0.10 0.00 -1.56 0.00 0.00 55.97 53.75 1ghk s LYS 60 Cb 0.08 -2.86 -0.06 0.00 -1.46 0.00 0.00 37.83 33.53 1ghk s LYS 60 CO 0.82 0.33 0.81 -0.80 0.16 0.00 0.00 175.35 176.67 1ghk s ASN 61 N 0.11 6.47 0.36 1.43 0.01 -1.26 -5.01 114.94 117.05 1ghk s ASN 61 Ca -0.01 1.15 -0.27 0.00 -0.71 0.00 0.00 52.86 53.02 1ghk s ASN 61 Cb -0.14 -2.33 -0.09 0.00 0.41 0.00 0.00 41.25 39.10 1ghk s ASN 61 CO 0.03 -0.47 1.25 -1.83 -1.51 0.00 0.00 177.10 174.56 1ghk s GLU 62 N -4.10 4.23 0.00 -0.60 -1.05 -1.26 -2.61 118.70 113.31 1ghk s GLU 62 Ca 0.51 2.07 0.00 0.00 -0.15 0.00 0.00 54.97 57.41 1ghk s GLU 62 Cb -0.10 -2.93 0.00 0.00 -0.44 0.00 0.00 34.13 30.66 1ghk s GLU 62 CO 0.35 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.73 1ghk n GLY 63 N 0.78 0.95 3.99 -3.83 0.00 -1.24 -4.93 105.19 100.91 1ghk n GLY 63 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.21 5.35 0.41 1.61 2.15 -1.07 -4.85 116.67 118.05 1ghk s ASP 64 Ca 0.00 -0.22 -0.05 0.00 0.43 0.00 0.00 52.55 52.70 1ghk s ASP 64 Cb 0.00 -0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 41.89 1ghk s ASP 64 CO 0.00 -1.06 0.70 0.28 -0.17 0.00 0.00 175.17 174.92 1ghk s THR 65 N -2.63 4.93 0.22 1.71 -1.32 -1.26 -1.83 115.64 115.46 1ghk s THR 65 Ca 0.57 0.16 0.01 0.00 -1.21 0.00 0.00 61.69 61.23 1ghk s THR 65 Cb -0.10 -3.81 -0.01 0.00 -1.51 0.00 0.00 72.50 67.07 1ghk s THR 65 CO 0.37 -0.64 0.05 1.33 -2.21 0.00 0.00 174.62 173.52 1ghk n VAL 66 N -1.75 0.00 -4.25 5.08 0.24 -0.71 -4.84 118.33 112.10 1ghk n VAL 66 Ca -0.00 -1.21 -0.18 0.00 -2.04 0.00 0.00 64.34 60.91 1ghk n VAL 66 Cb 0.55 0.37 -0.08 0.00 -1.47 0.00 0.00 33.84 33.21 1ghk n VAL 66 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ghk s LEU 67 N 0.00 1.58 -0.01 1.34 1.43 -1.26 -4.24 118.68 117.52 1ghk s LEU 67 Ca 0.07 -1.67 -0.30 0.00 -1.03 0.00 0.00 54.13 51.20 1ghk s LEU 67 Cb 0.00 0.64 -0.06 0.00 0.03 0.00 0.00 46.19 46.81 1ghk s LEU 67 CO 0.05 -1.06 1.47 -0.55 0.23 0.00 0.00 176.35 176.49 1ghk s SER 68 N -3.33 6.79 -0.51 2.29 0.15 -1.26 -2.07 113.70 115.76 1ghk s SER 68 Ca 0.39 2.17 0.00 0.00 0.70 0.00 0.00 55.95 59.21 1ghk s SER 68 Cb 0.03 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1ghk s SER 68 CO 0.25 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.52 1ghk n GLY 69 N 3.77 0.65 3.57 9.45 0.00 -1.26 -4.95 105.19 116.42 1ghk n GLY 69 Ca 0.14 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.77 3.13 -0.35 1.61 2.56 -0.88 -4.73 118.70 117.27 1ghk s GLU 70 Ca 0.00 0.48 -0.27 0.00 0.00 0.00 0.00 54.97 55.18 1ghk s GLU 70 Cb 0.00 -4.20 -0.05 0.00 2.00 0.00 0.00 34.13 31.88 1ghk s GLU 70 CO 0.00 -2.14 2.26 -1.17 -0.56 0.00 0.00 175.26 173.65 1ghk s LEU 71 N 6.79 3.42 0.05 2.70 2.96 -1.26 -1.48 118.68 131.86 1ghk s LEU 71 Ca 0.56 1.46 0.27 0.00 -0.22 0.00 0.00 54.13 56.19 1ghk s LEU 71 Cb -0.12 -3.06 0.82 0.00 0.50 0.00 0.00 46.19 44.34 1ghk s LEU 71 CO 0.23 -2.36 1.66 0.18 -1.32 0.00 0.00 176.35 174.75 1ghk n LEU 72 N 13.46 0.38 0.00 -0.68 4.77 -0.64 -4.29 117.00 129.99 1ghk n LEU 72 Ca 0.32 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1ghk n LEU 72 Cb 0.50 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1ghk n LEU 72 CO 0.68 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1ghk n GLY 73 N 1.45 2.65 3.29 -0.72 0.00 -1.00 -2.02 105.19 108.84 1ghk n GLY 73 Ca 0.06 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.03 1.13 0.14 1.61 1.02 -1.25 -1.39 119.74 118.98 1ghk s LYS 74 Ca 0.00 -1.22 -0.01 0.00 0.02 0.00 0.00 55.97 54.76 1ghk s LYS 74 Cb 0.00 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.98 1ghk s LYS 74 CO 0.00 0.29 0.32 -1.17 -0.92 0.00 0.00 175.35 173.86 1ghk s LEU 75 N -2.15 4.29 0.45 3.17 0.20 -0.25 -1.39 118.68 123.00 1ghk s LEU 75 Ca 0.09 0.35 0.07 0.00 0.69 0.00 0.00 54.13 55.33 1ghk s LEU 75 Cb -0.08 -3.09 -0.01 0.00 -0.43 0.00 0.00 46.19 42.58 1ghk s LEU 75 CO 0.05 0.05 0.40 -0.89 -0.29 0.00 0.00 176.35 175.67 1ghk s THR 76 N -1.71 2.45 0.95 3.68 2.01 -0.42 -3.61 115.64 119.00 1ghk s THR 76 Ca 0.37 -1.36 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 1ghk s THR 76 Cb -0.12 -2.81 0.16 0.00 0.01 0.00 0.00 72.50 69.74 1ghk s THR 76 CO 0.28 0.00 1.16 -1.61 -0.69 0.00 0.00 174.62 173.76 1ghk s GLU 77 N -4.18 0.82 0.00 4.92 2.02 -1.26 -4.02 118.70 117.00 1ghk s GLU 77 Ca 0.46 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1ghk s GLU 77 Cb -0.03 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.39 1ghk s GLU 77 CO 0.27 -2.39 0.00 0.41 0.02 0.00 0.00 175.26 173.58 1ghk n GLY 78 N -2.35 1.34 0.00 -1.39 0.00 -1.26 -3.65 105.19 97.88 1ghk n GLY 78 Ca 0.09 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93