#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 3.01 -0.11 0.00 1.01 -1.14 -4.96 121.20 119.02 1ghk s ILE 2 Ca 0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 60.65 58.91 1ghk s ILE 2 Cb 0.00 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1ghk s ILE 2 CO 0.00 -0.16 1.12 -0.62 0.00 0.00 0.00 174.94 175.28 1ghk s ASP 3 N 1.29 7.12 -0.43 3.58 -1.08 -1.26 -1.59 116.67 124.29 1ghk s ASP 3 Ca -0.04 1.64 -0.15 0.00 -0.52 0.00 0.00 52.55 53.48 1ghk s ASP 3 Cb -0.20 -2.55 0.04 0.00 -1.46 0.00 0.00 42.92 38.75 1ghk s ASP 3 CO -0.01 -0.57 0.33 -0.63 0.52 0.00 0.00 175.17 174.81 1ghk s ILE 4 N 2.41 5.20 0.30 4.11 -1.09 -0.98 -4.99 121.20 126.17 1ghk s ILE 4 Ca 0.51 -0.82 0.07 0.00 -2.23 0.00 0.00 60.65 58.18 1ghk s ILE 4 Cb -0.21 -3.97 -0.06 0.00 -1.58 0.00 0.00 42.46 36.64 1ghk s ILE 4 CO 0.18 -0.40 -0.04 -0.54 -1.23 0.00 0.00 174.94 172.90 1ghk s LYS 5 N 1.66 1.61 0.76 2.79 1.02 -1.26 -1.74 119.74 124.57 1ghk s LYS 5 Ca 0.04 -1.83 -0.11 0.00 0.02 0.00 0.00 55.97 54.09 1ghk s LYS 5 Cb -0.21 -1.20 0.05 0.00 -0.52 0.00 0.00 37.83 35.95 1ghk s LYS 5 CO 0.09 0.01 1.09 0.00 -0.92 0.00 0.00 175.35 175.62 1ghk s ALA 6 N -2.99 2.44 0.13 5.17 0.00 -0.79 -4.93 121.76 120.79 1ghk s ALA 6 Ca 0.31 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 1ghk s ALA 6 Cb 0.05 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 1ghk s ALA 6 CO 0.13 -1.52 1.02 -1.25 0.00 0.00 0.00 175.76 174.15 1ghk s PRO 7 N -5.15 4.64 0.27 0.00 0.04 -1.26 -3.83 135.00 129.71 1ghk s PRO 7 Ca 0.60 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.89 1ghk s PRO 7 Cb -0.14 -3.34 -0.12 0.00 0.04 0.00 0.00 34.50 30.94 1ghk s PRO 7 CO 0.54 0.13 1.53 2.41 0.04 0.00 0.00 177.00 181.65 1ghk n THR 8 N 2.73 0.95 -3.64 1.26 -1.04 -1.26 -4.47 114.28 108.80 1ghk n THR 8 Ca 0.03 -0.24 -0.32 0.00 -2.04 0.00 0.00 64.05 61.48 1ghk n THR 8 Cb 0.48 -1.76 -0.05 0.00 -1.82 0.00 0.00 70.33 67.18 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 0.02 3.49 0.00 -1.42 0.08 -1.26 -5.02 117.98 113.87 1ghk s PHE 9 Ca 0.66 0.62 0.00 0.00 0.12 0.00 0.00 56.93 58.33 1ghk s PHE 9 Cb -0.56 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.84 1ghk s PHE 9 CO 0.48 0.44 0.00 -0.35 -0.10 0.00 0.00 175.22 175.69 1ghk n PRO 10 N 0.20 0.38 -0.03 0.24 -0.04 -1.26 -4.94 135.00 129.55 1ghk n PRO 10 Ca -0.03 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 1ghk n PRO 10 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.07 -0.83 0.54 5.08 -2.03 -3.26 114.58 114.15 1ghk h GLU 11 Ca 0.00 -0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.46 1ghk h GLU 11 Cb 0.00 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.11 1ghk h GLU 11 CO 0.00 0.67 -0.29 1.03 -1.00 0.00 0.00 179.01 179.42 1ghk h SER 12 N -0.52 -1.06 -3.29 1.42 0.87 -2.05 -3.38 113.55 105.54 1ghk h SER 12 Ca -0.00 0.27 -0.55 0.00 -1.23 0.00 0.00 61.79 60.27 1ghk h SER 12 Cb 0.67 0.60 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 1ghk h SER 12 CO 0.01 -0.29 -0.20 -0.63 -0.53 0.00 0.00 176.83 175.19 1ghk s ILE 13 N -6.11 5.04 -0.03 2.23 1.01 -1.23 -4.99 121.20 117.12 1ghk s ILE 13 Ca -0.14 0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1ghk s ILE 13 Cb 0.21 -3.64 0.07 0.00 0.01 0.00 0.00 42.46 39.11 1ghk s ILE 13 CO 0.73 -0.06 1.00 0.00 0.00 0.00 0.00 174.94 176.60 1ghk n ALA 14 N -0.17 1.98 0.00 9.38 0.00 -1.26 -4.34 120.51 126.10 1ghk n ALA 14 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1ghk n ALA 14 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.67 0.00 -0.99 0.00 5.68 -1.26 -4.83 116.55 114.48 1ghk n ASP 15 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1ghk n ASP 15 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 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 -0.04 2.81 3.20 6.12 0.00 -1.05 -4.83 105.19 111.39 1ghk n GLY 16 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.60 -0.09 0.96 2.61 2.01 -1.00 -1.82 115.64 115.71 1ghk s THR 17 Ca 0.00 0.12 -0.13 0.00 0.31 0.00 0.00 61.69 61.99 1ghk s THR 17 Cb 0.00 -0.54 0.04 0.00 0.01 0.00 0.00 72.50 72.01 1ghk s THR 17 CO 0.00 0.05 0.38 0.52 -0.69 0.00 0.00 174.62 174.88 1ghk n VAL 18 N 4.39 0.00 0.00 3.82 0.31 -0.55 -0.48 118.33 125.82 1ghk n VAL 18 Ca -0.22 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1ghk n VAL 18 Cb 0.54 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 -3.65 0.06 -3.63 3.52 0.00 -0.94 -3.86 120.51 112.01 1ghk n ALA 19 Ca 0.06 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 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 -0.44 0.00 -1.14 0.00 2.01 -1.26 -3.99 115.64 110.82 1ghk s THR 20 Ca 0.00 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 1ghk s THR 20 Cb 0.00 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.67 1ghk s THR 20 CO 0.00 0.00 1.36 0.26 -0.69 0.00 0.00 174.62 175.55 1ghk s TRP 21 N 0.87 3.42 0.00 4.92 0.52 -1.26 -2.64 118.94 124.77 1ghk s TRP 21 Ca -0.04 -1.97 0.00 0.00 0.02 0.00 0.00 56.10 54.11 1ghk s TRP 21 Cb -0.05 -4.30 0.00 0.00 -1.15 0.00 0.00 33.47 27.97 1ghk s TRP 21 CO -0.07 -1.41 0.93 0.72 0.02 0.00 0.00 176.95 177.13 1ghk n HIS 22 N 5.82 0.00 -3.01 -1.98 8.25 -1.24 -4.69 115.22 118.37 1ghk n HIS 22 Ca 0.34 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.76 1ghk n HIS 22 Cb 0.44 -0.43 0.01 0.00 1.12 0.00 0.00 29.99 31.14 1ghk n HIS 22 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ghk n LYS 23 N -2.54 0.92 -4.40 -0.41 5.02 -1.25 -5.12 118.16 110.38 1ghk n LYS 23 Ca 0.00 -0.62 -0.20 0.00 -2.02 0.00 0.00 58.31 55.47 1ghk n LYS 23 Cb 0.00 -0.05 -0.10 0.00 -0.02 0.00 0.00 35.03 34.86 1ghk n LYS 23 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ghk s LYS 24 N -2.52 1.52 0.53 1.97 1.02 -1.26 -4.96 119.74 116.04 1ghk s LYS 24 Ca 0.12 -1.81 -0.17 0.00 0.02 0.00 0.00 55.97 54.13 1ghk s LYS 24 Cb -0.01 -0.84 -0.07 0.00 -0.52 0.00 0.00 37.83 36.39 1ghk s LYS 24 CO 0.08 -0.11 1.02 -1.25 -0.92 0.00 0.00 175.35 174.17 1ghk s PRO 25 N -3.85 3.72 0.00 -1.68 0.04 -1.26 -3.83 135.00 128.14 1ghk s PRO 25 Ca 0.32 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1ghk s PRO 25 Cb 0.07 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1ghk s PRO 25 CO 0.12 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1ghk n GLY 26 N -1.00 0.73 1.29 0.56 0.00 -1.25 -4.91 105.19 100.60 1ghk n GLY 26 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.52 1.34 -2.91 1.61 -0.58 -1.25 -4.96 120.64 111.38 1ghk n GLU 27 Ca 0.00 -1.22 -0.40 0.00 -0.42 0.00 0.00 57.16 55.12 1ghk n GLU 27 Cb 0.00 0.20 -0.04 0.00 -0.57 0.00 0.00 31.44 31.03 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 -2.28 3.30 -0.03 0.62 0.00 -1.26 -4.60 121.76 117.50 1ghk s ALA 28 Ca 0.07 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.43 1ghk s ALA 28 Cb -0.01 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1ghk s ALA 28 CO 0.04 -0.05 -0.21 0.08 0.00 0.00 0.00 175.76 175.62 1ghk s VAL 29 N 0.38 1.71 -0.08 0.00 1.01 -1.26 -5.06 120.40 117.10 1ghk s VAL 29 Ca 0.42 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1ghk s VAL 29 Cb -0.20 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1ghk s VAL 29 CO 0.24 0.48 -0.23 -0.54 0.00 0.00 0.00 175.10 175.05 1ghk s LYS 30 N -0.34 2.83 0.33 2.72 1.02 -1.26 -3.86 119.74 121.17 1ghk s LYS 30 Ca 0.04 -0.86 -0.25 0.00 0.02 0.00 0.00 55.97 54.92 1ghk s LYS 30 Cb -0.10 -2.28 -0.15 0.00 -0.52 0.00 0.00 37.83 34.78 1ghk s LYS 30 CO 0.01 0.30 0.47 -2.13 -0.92 0.00 0.00 175.35 173.07 1ghk n ARG 31 N 3.19 0.31 -2.85 1.68 0.00 -1.26 -2.41 116.66 115.33 1ghk n ARG 31 Ca -0.18 0.11 -0.10 0.00 -0.00 0.00 0.00 57.85 57.68 1ghk n ARG 31 Cb 0.52 -1.24 0.05 0.00 0.00 0.00 0.00 32.46 31.79 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 1.80 -2.76 -3.60 6.15 2.03 -1.20 -4.95 116.55 114.02 1ghk n ASP 32 Ca 0.13 -0.31 -0.25 0.00 0.52 0.00 0.00 54.79 54.88 1ghk n ASP 32 Cb 0.34 -2.90 -0.17 0.00 -0.72 0.00 0.00 41.12 37.67 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 -5.03 0.07 0.99 -0.67 2.56 -1.01 -4.99 118.70 110.62 1ghk s GLU 33 Ca 0.10 -0.05 -0.17 0.00 0.00 0.00 0.00 54.97 54.85 1ghk s GLU 33 Cb -0.04 -1.76 -0.11 0.00 2.00 0.00 0.00 34.13 34.22 1ghk s GLU 33 CO 0.38 -0.66 -0.62 -0.11 -0.56 0.00 0.00 175.26 173.69 1ghk n LEU 34 N 5.28 -4.39 0.00 2.70 7.94 -1.26 -2.46 117.00 124.81 1ghk n LEU 34 Ca -0.07 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 1ghk n LEU 34 Cb 0.49 -0.83 0.00 0.00 0.53 0.00 0.00 43.42 43.61 1ghk n LEU 34 CO 0.10 -5.05 0.00 -0.38 -1.11 0.00 0.00 177.39 170.95 1ghk n ILE 35 N -2.91 0.00 -3.70 1.96 2.08 0.03 -4.67 119.36 112.15 1ghk n ILE 35 Ca -0.00 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.20 1ghk n ILE 35 Cb 0.58 -0.01 -0.11 0.00 -0.75 0.00 0.00 39.64 39.35 1ghk n ILE 35 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1ghk s VAL 36 N -1.02 -0.02 0.49 1.39 0.11 -1.03 -3.58 120.40 116.74 1ghk s VAL 36 Ca 0.00 0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.20 1ghk s VAL 36 Cb 0.00 -0.58 0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1ghk s VAL 36 CO 0.00 0.04 0.68 -1.81 -3.33 0.00 0.00 175.10 170.68 1ghk s ASP 37 N 1.27 5.39 0.13 3.54 1.11 -1.08 -0.45 116.67 126.58 1ghk s ASP 37 Ca -0.09 -0.40 -0.00 0.00 0.18 0.00 0.00 52.55 52.24 1ghk s ASP 37 Cb -0.08 -0.50 -0.04 0.00 1.07 0.00 0.00 42.92 43.37 1ghk s ASP 37 CO -0.11 -1.02 0.03 -0.63 1.18 0.00 0.00 175.17 174.63 1ghk s ILE 38 N -2.55 0.26 0.00 0.77 1.01 -0.93 -2.22 121.20 117.54 1ghk s ILE 38 Ca 0.57 -1.92 0.03 0.00 0.00 0.00 0.00 60.65 59.34 1ghk s ILE 38 Cb -0.09 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1ghk s ILE 38 CO 0.36 -0.53 -0.10 -1.61 0.00 0.00 0.00 174.94 173.06 1ghk s GLU 39 N -4.00 0.74 0.00 2.79 2.02 0.36 -1.64 118.70 118.97 1ghk s GLU 39 Ca 0.22 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1ghk s GLU 39 Cb 0.07 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.60 1ghk s GLU 39 CO 0.01 0.19 0.00 2.41 0.02 0.00 0.00 175.26 177.89 1ghk n THR 40 N 2.62 0.00 -0.19 3.63 -1.04 -0.30 -2.36 114.28 116.63 1ghk n THR 40 Ca -0.15 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.78 1ghk n THR 40 Cb 0.56 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.00 -1.40 0.00 8.00 1.82 -2.00 -3.35 116.42 119.49 1ghk h ASP 41 Ca 0.00 0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.80 1ghk h ASP 41 Cb 0.00 0.60 -0.07 0.00 0.68 0.00 0.00 39.33 40.53 1ghk h ASP 41 CO 0.00 -0.22 -0.47 0.29 -1.61 0.00 0.00 179.24 177.24 1ghk n LYS 42 N -4.55 0.00 -4.77 0.28 5.02 -1.26 -5.09 118.16 107.79 1ghk n LYS 42 Ca -0.00 -0.95 -0.24 0.00 -2.02 0.00 0.00 58.31 55.10 1ghk n LYS 42 Cb 0.21 -0.24 -0.15 0.00 -0.02 0.00 0.00 35.03 34.82 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 0.00 1.29 -0.14 -0.18 1.01 -1.26 -5.13 120.40 116.00 1ghk s VAL 43 Ca 0.06 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1ghk s VAL 43 Cb 0.06 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1ghk s VAL 43 CO -0.03 0.37 0.02 0.54 0.00 0.00 0.00 175.10 176.00 1ghk s VAL 44 N -0.31 4.44 0.38 2.92 0.11 -1.26 -1.15 120.40 125.52 1ghk s VAL 44 Ca 0.05 -0.18 0.02 0.00 -2.93 0.00 0.00 61.98 58.94 1ghk s VAL 44 Cb -0.07 -2.93 0.02 0.00 -1.53 0.00 0.00 36.38 31.87 1ghk s VAL 44 CO -0.00 0.53 0.18 0.23 -3.33 0.00 0.00 175.10 172.71 1ghk n MET 45 N 2.92 1.00 -3.99 1.54 2.81 -0.65 -4.96 117.12 115.79 1ghk n MET 45 Ca -0.18 -2.49 -0.08 0.00 -1.81 0.00 0.00 57.70 53.14 1ghk n MET 45 Cb 0.53 0.42 -0.08 0.00 -0.71 0.00 0.00 33.22 33.38 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 -3.48 0.84 -0.20 0.03 2.02 -1.26 -2.19 118.70 114.45 1ghk s GLU 46 Ca 0.14 -1.14 -0.04 0.00 0.02 0.00 0.00 54.97 53.95 1ghk s GLU 46 Cb -0.01 0.29 0.07 0.00 0.10 0.00 0.00 34.13 34.58 1ghk s GLU 46 CO 0.09 -0.24 0.07 0.08 0.02 0.00 0.00 175.26 175.27 1ghk s VAL 47 N -3.92 0.29 0.05 2.63 1.01 0.40 -4.87 120.40 115.98 1ghk s VAL 47 Ca 0.10 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1ghk s VAL 47 Cb 0.06 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1ghk s VAL 47 CO -0.07 -0.32 0.13 -1.48 0.00 0.00 0.00 175.10 173.36 1ghk s LEU 48 N 1.96 4.06 0.55 3.92 2.34 -1.26 -0.79 118.68 129.46 1ghk s LEU 48 Ca 0.02 0.15 -0.21 0.00 0.06 0.00 0.00 54.13 54.14 1ghk s LEU 48 Cb -0.17 -2.63 -0.05 0.00 -0.56 0.00 0.00 46.19 42.79 1ghk s LEU 48 CO -0.13 0.20 1.28 0.00 -1.06 0.00 0.00 176.35 176.64 1ghk s ALA 49 N -1.39 2.74 -1.93 1.48 0.00 -1.03 -4.89 121.76 116.74 1ghk s ALA 49 Ca 0.30 1.16 0.15 0.00 0.00 0.00 0.00 51.96 53.57 1ghk s ALA 49 Cb -0.12 -3.50 0.44 0.00 0.00 0.00 0.00 23.12 19.93 1ghk s ALA 49 CO 0.22 -1.20 1.36 0.39 0.00 0.00 0.00 175.76 176.53 1ghk n GLU 50 N -1.14 2.20 0.00 0.00 1.02 -1.26 -3.24 120.64 118.21 1ghk n GLU 50 Ca 0.11 -1.77 0.00 0.00 -0.02 0.00 0.00 57.16 55.48 1ghk n GLU 50 Cb 0.47 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.90 0.00 -0.84 0.62 0.00 -1.26 -4.89 120.51 115.05 1ghk n ALA 51 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 1ghk n ALA 51 Cb 0.43 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.11 1ghk n ALA 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ghk s ASP 52 N 0.00 1.45 0.00 0.00 -1.08 -1.26 -4.46 116.67 111.32 1ghk s ASP 52 Ca 0.00 1.24 0.00 0.00 -0.52 0.00 0.00 52.55 53.27 1ghk s ASP 52 Cb 0.00 -1.93 0.00 0.00 -1.46 0.00 0.00 42.92 39.53 1ghk s ASP 52 CO 0.00 -3.87 0.00 0.61 0.52 0.00 0.00 175.17 172.43 1ghk n GLY 53 N -0.09 -0.03 2.75 2.66 0.00 -1.25 -4.84 105.19 104.39 1ghk n GLY 53 Ca 0.05 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.00 0.10 0.94 1.61 1.01 -1.26 -4.33 120.40 114.49 1ghk s VAL 54 Ca 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 1ghk s VAL 54 Cb 0.00 -0.27 0.16 0.00 0.00 0.00 0.00 36.38 36.27 1ghk s VAL 54 CO 0.00 0.18 1.16 -0.63 0.00 0.00 0.00 175.10 175.80 1ghk s ILE 55 N 1.61 1.96 -0.11 2.22 -1.09 -1.26 -0.84 121.20 123.69 1ghk s ILE 55 Ca -0.02 0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.29 1ghk s ILE 55 Cb -0.13 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 1ghk s ILE 55 CO -0.03 0.00 -0.23 0.00 -1.23 0.00 0.00 174.94 173.45 1ghk n ALA 56 N -3.86 1.00 0.00 9.38 0.00 0.60 -3.92 120.51 123.71 1ghk n ALA 56 Ca 0.08 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1ghk n ALA 56 Cb 0.59 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1ghk n ALA 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ghk n GLU 57 N -3.87 0.00 -3.36 0.00 0.28 -1.26 -4.63 120.64 107.79 1ghk n GLU 57 Ca -0.09 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.55 1ghk n GLU 57 Cb 0.34 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.15 1ghk n GLU 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1ghk s ILE 58 N -2.00 4.86 -0.06 3.84 1.09 -1.26 -3.90 121.20 123.77 1ghk s ILE 58 Ca 0.00 0.88 0.22 0.00 -1.10 0.00 0.00 60.65 60.64 1ghk s ILE 58 Cb 0.00 -3.76 -0.31 0.00 -1.06 0.00 0.00 42.46 37.33 1ghk s ILE 58 CO 0.00 0.32 0.47 0.52 -0.10 0.00 0.00 174.94 176.14 1ghk n VAL 59 N 1.02 0.19 -4.15 2.92 0.31 -0.59 -4.95 118.33 113.07 1ghk n VAL 59 Ca -0.07 -0.54 -0.06 0.00 -0.01 0.00 0.00 64.34 63.66 1ghk n VAL 59 Cb 0.52 -0.07 -0.01 0.00 -0.91 0.00 0.00 33.84 33.36 1ghk n VAL 59 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ghk n LYS 60 N -2.34 1.71 -4.52 5.55 3.00 -1.26 -5.06 118.16 115.23 1ghk n LYS 60 Ca -0.07 -0.72 -0.25 0.00 -0.00 0.00 0.00 58.31 57.28 1ghk n LYS 60 Cb 0.63 0.20 -0.11 0.00 0.00 0.00 0.00 35.03 35.76 1ghk n LYS 60 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1ghk s ASN 61 N -1.54 3.23 0.37 3.14 0.02 -1.26 -5.09 114.94 113.81 1ghk s ASN 61 Ca 0.00 -1.30 -0.26 0.00 -1.02 0.00 0.00 52.86 50.28 1ghk s ASN 61 Cb 0.00 -0.26 -0.09 0.00 0.02 0.00 0.00 41.25 40.92 1ghk s ASN 61 CO 0.00 -0.42 1.15 -1.61 0.02 0.00 0.00 177.10 176.25 1ghk s GLU 62 N -3.74 4.22 -0.56 -0.60 8.01 -1.26 -2.70 118.70 122.07 1ghk s GLU 62 Ca 0.34 1.83 0.00 0.00 0.01 0.00 0.00 54.97 57.15 1ghk s GLU 62 Cb 0.07 -2.81 0.00 0.00 -4.31 0.00 0.00 34.13 27.08 1ghk s GLU 62 CO 0.16 -0.17 0.00 0.41 0.01 0.00 0.00 175.26 175.67 1ghk n GLY 63 N 0.73 0.77 4.00 -1.39 0.00 -1.25 -5.01 105.19 103.04 1ghk n GLY 63 Ca 0.03 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.65 5.55 0.30 1.61 2.15 -1.10 -4.88 116.67 117.66 1ghk s ASP 64 Ca 0.00 -0.49 -0.07 0.00 0.43 0.00 0.00 52.55 52.42 1ghk s ASP 64 Cb 0.00 -0.56 -0.06 0.00 -0.30 0.00 0.00 42.92 42.00 1ghk s ASP 64 CO 0.00 -0.81 0.59 0.28 -0.17 0.00 0.00 175.17 175.06 1ghk s THR 65 N -2.39 4.96 0.02 1.71 -1.32 -1.26 -1.48 115.64 115.88 1ghk s THR 65 Ca 0.55 0.23 0.03 0.00 -1.21 0.00 0.00 61.69 61.29 1ghk s THR 65 Cb -0.09 -3.71 -0.02 0.00 -1.51 0.00 0.00 72.50 67.17 1ghk s THR 65 CO 0.33 -0.31 -0.10 0.68 -2.21 0.00 0.00 174.62 173.02 1ghk s VAL 66 N -2.08 0.74 0.39 5.08 -7.23 -0.76 -4.82 120.40 111.73 1ghk s VAL 66 Ca 0.46 -0.74 -0.01 0.00 -1.81 0.00 0.00 61.98 59.88 1ghk s VAL 66 Cb -0.11 -0.69 -0.03 0.00 0.56 0.00 0.00 36.38 36.12 1ghk s VAL 66 CO 0.28 -0.03 0.62 -0.76 -0.31 0.00 0.00 175.10 174.90 1ghk s LEU 67 N -0.86 3.87 -0.16 1.32 2.01 -1.26 -2.54 118.68 121.06 1ghk s LEU 67 Ca -0.01 0.53 -0.36 0.00 0.01 0.00 0.00 54.13 54.30 1ghk s LEU 67 Cb -0.06 -3.41 -0.13 0.00 0.01 0.00 0.00 46.19 42.60 1ghk s LEU 67 CO 0.00 -0.42 1.87 -0.24 1.01 0.00 0.00 176.35 178.57 1ghk n SER 68 N -1.94 3.08 -0.89 2.29 2.88 -1.26 -0.24 113.62 117.54 1ghk n SER 68 Ca -0.03 0.96 -0.06 0.00 -1.33 0.00 0.00 58.87 58.41 1ghk n SER 68 Cb 0.56 -1.30 0.01 0.00 -0.75 0.00 0.00 64.21 62.73 1ghk n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ghk n GLY 69 N 4.50 0.27 3.74 0.46 0.00 -1.25 -4.97 105.19 107.95 1ghk n GLY 69 Ca 0.25 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.65 4.68 -0.02 1.61 2.56 0.67 -4.71 118.70 118.84 1ghk s GLU 70 Ca 0.05 1.65 -0.30 0.00 0.00 0.00 0.00 54.97 56.38 1ghk s GLU 70 Cb -0.02 -3.27 -0.03 0.00 2.00 0.00 0.00 34.13 32.81 1ghk s GLU 70 CO 0.07 0.23 1.06 -1.17 -0.56 0.00 0.00 175.26 174.89 1ghk s LEU 71 N -0.79 4.33 -0.06 2.70 2.96 -1.26 -1.89 118.68 124.67 1ghk s LEU 71 Ca 0.46 1.72 0.15 0.00 -0.22 0.00 0.00 54.13 56.24 1ghk s LEU 71 Cb -0.29 -3.57 -0.22 0.00 0.50 0.00 0.00 46.19 42.62 1ghk s LEU 71 CO 0.35 -0.39 0.25 0.18 -1.32 0.00 0.00 176.35 175.42 1ghk n LEU 72 N 4.33 0.00 0.00 -0.68 4.77 -0.71 -4.53 117.00 120.18 1ghk n LEU 72 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1ghk n LEU 72 Cb 0.49 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1ghk n LEU 72 CO 0.53 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1ghk n GLY 73 N 1.77 0.77 3.11 -0.72 0.00 -1.21 -1.54 105.19 107.37 1ghk n GLY 73 Ca -0.09 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 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 1.47 0.12 1.61 1.02 -1.25 -2.32 119.74 118.38 1ghk s LYS 74 Ca 0.00 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 55.44 1ghk s LYS 74 Cb 0.00 -1.33 -0.05 0.00 -0.52 0.00 0.00 37.83 35.94 1ghk s LYS 74 CO 0.00 0.25 0.31 -1.17 -0.92 0.00 0.00 175.35 173.82 1ghk s LEU 75 N -0.05 4.30 0.44 3.17 0.20 -0.62 -0.29 118.68 125.82 1ghk s LEU 75 Ca -0.01 0.40 0.07 0.00 0.69 0.00 0.00 54.13 55.28 1ghk s LEU 75 Cb -0.09 -3.13 -0.03 0.00 -0.43 0.00 0.00 46.19 42.51 1ghk s LEU 75 CO 0.01 0.08 0.24 -0.89 -0.29 0.00 0.00 176.35 175.50 1ghk s THR 76 N -1.65 2.19 -0.00 3.68 2.01 -0.02 -2.89 115.64 118.95 1ghk s THR 76 Ca 0.38 -1.62 -0.02 0.00 0.31 0.00 0.00 61.69 60.74 1ghk s THR 76 Cb -0.12 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 1ghk s THR 76 CO 0.27 0.00 0.52 -0.33 -0.69 0.00 0.00 174.62 174.39 1ghk h GLU 77 N 1.24 -0.07 0.00 4.92 5.08 -1.93 -3.35 114.58 120.47 1ghk h GLU 77 Ca -0.42 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1ghk h GLU 77 Cb 1.27 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1ghk h GLU 77 CO 0.66 -0.05 0.00 0.41 -1.00 0.00 0.00 179.01 179.03 1ghk n GLY 78 N 0.49 0.82 0.00 -3.84 0.00 -1.26 -4.24 105.19 97.15 1ghk n GLY 78 Ca -0.01 -2.01 0.16 0.00 0.00 0.00 0.00 46.02 44.16 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93