#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 1.09 -0.06 0.00 -1.09 -1.17 -5.00 121.20 114.97 1ghk s ILE 2 Ca 0.00 -2.00 0.03 0.00 -2.23 0.00 0.00 60.65 56.45 1ghk s ILE 2 Cb 0.00 -2.77 -0.02 0.00 -1.58 0.00 0.00 42.46 38.09 1ghk s ILE 2 CO 0.00 0.00 -0.15 -0.62 -1.23 0.00 0.00 174.94 172.94 1ghk s ASP 3 N -3.47 3.90 -0.97 3.58 2.15 -1.26 -1.76 116.67 118.85 1ghk s ASP 3 Ca 0.37 -0.26 -0.02 0.00 0.43 0.00 0.00 52.55 53.07 1ghk s ASP 3 Cb 0.09 -0.95 0.28 0.00 -0.30 0.00 0.00 42.92 42.03 1ghk s ASP 3 CO 0.15 0.31 1.19 -0.38 -0.17 0.00 0.00 175.17 176.27 1ghk n ILE 4 N 2.57 4.30 -3.99 4.11 5.41 -0.75 -4.94 119.36 126.07 1ghk n ILE 4 Ca -0.17 -5.61 -0.31 0.00 1.00 0.00 0.00 62.75 57.66 1ghk n ILE 4 Cb 0.52 -2.18 -0.05 0.00 -0.71 0.00 0.00 39.64 37.21 1ghk n ILE 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1ghk s LYS 5 N -2.36 3.15 0.86 0.38 -2.85 -1.26 -1.98 119.74 115.68 1ghk s LYS 5 Ca 0.32 -0.56 -0.11 0.00 -1.00 0.00 0.00 55.97 54.62 1ghk s LYS 5 Cb 0.04 -2.88 0.11 0.00 -2.06 0.00 0.00 37.83 33.04 1ghk s LYS 5 CO 0.03 0.59 1.16 0.00 0.10 0.00 0.00 175.35 177.23 1ghk s ALA 6 N -1.44 1.70 1.04 0.59 0.00 -0.51 -4.84 121.76 118.31 1ghk s ALA 6 Ca 0.32 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 1ghk s ALA 6 Cb -0.13 -3.44 0.22 0.00 0.00 0.00 0.00 23.12 19.77 1ghk s ALA 6 CO 0.24 -2.47 1.18 -0.35 0.00 0.00 0.00 175.76 174.36 1ghk n PRO 7 N -3.81 -1.54 -3.35 0.00 -0.04 -1.26 -2.65 135.00 122.35 1ghk n PRO 7 Ca 0.12 -1.83 -0.38 0.00 -0.04 0.00 0.00 63.50 61.38 1ghk n PRO 7 Cb 0.52 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 1ghk n PRO 7 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ghk s THR 8 N -3.49 5.20 0.39 0.52 2.01 -1.26 -3.41 115.64 115.60 1ghk s THR 8 Ca 0.68 0.87 -0.21 0.00 0.31 0.00 0.00 61.69 63.34 1ghk s THR 8 Cb -0.03 -3.78 -0.10 0.00 0.01 0.00 0.00 72.50 68.60 1ghk s THR 8 CO 0.49 0.32 0.91 -0.36 -0.69 0.00 0.00 174.62 175.29 1ghk s PHE 9 N 0.71 3.39 0.00 4.92 0.08 -1.26 -5.06 117.98 120.76 1ghk s PHE 9 Ca 0.24 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.85 1ghk s PHE 9 Cb -0.15 -2.80 0.00 0.00 -0.57 0.00 0.00 43.02 39.50 1ghk s PHE 9 CO 0.09 -0.01 0.00 -0.35 -0.10 0.00 0.00 175.22 174.84 1ghk n PRO 10 N -0.37 0.28 -0.02 0.24 -0.04 -1.26 -4.98 135.00 128.85 1ghk n PRO 10 Ca 0.05 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.34 1ghk n PRO 10 Cb 0.53 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 1ghk n PRO 10 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ghk h GLU 11 N 0.00 0.66 0.00 0.54 4.11 -2.04 -3.35 114.58 114.51 1ghk h GLU 11 Ca 0.00 -0.56 0.00 0.00 0.07 0.00 0.00 59.36 58.87 1ghk h GLU 11 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ghk h GLU 11 CO 0.00 1.17 0.00 0.45 0.07 0.00 0.00 179.01 180.70 1ghk n SER 12 N -4.07 0.00 -4.88 3.06 2.88 -1.26 -4.47 113.62 104.89 1ghk n SER 12 Ca -0.08 0.85 -0.32 0.00 -1.33 0.00 0.00 58.87 58.00 1ghk n SER 12 Cb 0.69 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.75 1ghk n SER 12 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1ghk s ILE 13 N -2.41 4.93 -0.21 2.46 1.09 -1.26 -5.00 121.20 120.81 1ghk s ILE 13 Ca 0.00 0.45 0.11 0.00 -1.10 0.00 0.00 60.65 60.11 1ghk s ILE 13 Cb 0.00 -3.63 0.43 0.00 -1.06 0.00 0.00 42.46 38.20 1ghk s ILE 13 CO 0.00 -0.11 1.21 0.00 -0.10 0.00 0.00 174.94 175.94 1ghk n ALA 14 N -0.25 3.77 -3.19 9.38 0.00 -1.26 -4.16 120.51 124.81 1ghk n ALA 14 Ca 0.00 -3.32 0.03 0.00 0.00 0.00 0.00 53.44 50.16 1ghk n ALA 14 Cb 0.53 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.97 -0.22 -3.38 0.00 5.68 -1.26 -4.98 116.55 111.42 1ghk n ASP 15 Ca 0.22 -1.04 -0.10 0.00 -0.50 0.00 0.00 54.79 53.36 1ghk n ASP 15 Cb 0.76 0.33 -0.02 0.00 -1.14 0.00 0.00 41.12 41.05 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 -2.94 0.68 -0.20 6.12 0.00 -1.24 -4.81 107.32 104.92 1ghk s GLY 16 Ca 0.06 -0.95 -0.04 0.00 0.00 0.00 0.00 44.72 43.78 1ghk s GLY 16 CO -0.00 -0.56 0.35 -1.59 0.00 0.00 0.00 173.10 171.30 1ghk s THR 17 N -3.12 -0.55 1.05 0.90 2.01 -0.06 -1.98 115.64 113.88 1ghk s THR 17 Ca 0.21 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 62.05 1ghk s THR 17 Cb -0.03 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 1ghk s THR 17 CO 0.13 -0.03 -0.73 0.52 -0.69 0.00 0.00 174.62 173.82 1ghk n VAL 18 N 5.37 0.00 0.00 3.82 0.31 -0.75 -1.01 118.33 126.07 1ghk n VAL 18 Ca -0.06 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1ghk n VAL 18 Cb 0.50 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 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 -3.87 1.91 -3.64 3.52 0.00 -0.26 -3.47 120.51 114.71 1ghk n ALA 19 Ca -0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1ghk n ALA 19 Cb 0.68 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.89 0.00 -1.10 0.00 2.01 -1.25 -3.94 115.64 110.47 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 0.16 0.00 0.01 0.00 0.00 72.50 71.67 1ghk s THR 20 CO 0.00 0.00 1.31 0.26 -0.69 0.00 0.00 174.62 175.50 1ghk s TRP 21 N 1.04 3.37 0.00 4.92 0.52 -1.26 -2.50 118.94 125.03 1ghk s TRP 21 Ca -0.05 -1.86 0.00 0.00 0.02 0.00 0.00 56.10 54.20 1ghk s TRP 21 Cb -0.05 -4.29 0.00 0.00 -1.15 0.00 0.00 33.47 27.98 1ghk s TRP 21 CO -0.10 -1.42 0.99 0.72 0.02 0.00 0.00 176.95 177.16 1ghk n HIS 22 N 5.92 0.00 -2.06 -1.98 8.25 -1.22 -4.62 115.22 119.51 1ghk n HIS 22 Ca 0.31 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.72 1ghk n HIS 22 Cb 0.45 -0.49 0.03 0.00 1.12 0.00 0.00 29.99 31.10 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 -2.84 0.28 -4.21 -0.41 4.76 -1.26 -5.12 118.16 109.36 1ghk n LYS 23 Ca 0.00 -0.58 -0.12 0.00 -2.87 0.00 0.00 58.31 54.74 1ghk n LYS 23 Cb 0.00 -0.19 -0.10 0.00 -1.84 0.00 0.00 35.03 32.90 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 -3.15 1.07 -0.33 1.97 1.02 -1.26 -5.00 119.74 114.05 1ghk s LYS 24 Ca 0.15 -1.52 -0.29 0.00 0.02 0.00 0.00 55.97 54.33 1ghk s LYS 24 Cb -0.01 -0.08 0.01 0.00 -0.52 0.00 0.00 37.83 37.23 1ghk s LYS 24 CO 0.10 -0.19 1.24 -1.25 -0.92 0.00 0.00 175.35 174.33 1ghk s PRO 25 N -3.97 3.91 0.00 -1.68 0.04 -1.26 -3.52 135.00 128.51 1ghk s PRO 25 Ca 0.25 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1ghk s PRO 25 Cb 0.07 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1ghk s PRO 25 CO 0.04 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1ghk n GLY 26 N 4.32 0.73 0.95 0.56 0.00 -1.26 -4.86 105.19 105.63 1ghk n GLY 26 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 0.91 -2.28 1.61 -0.58 -1.23 -4.99 120.64 114.08 1ghk n GLU 27 Ca 0.00 -0.76 -0.25 0.00 -0.42 0.00 0.00 57.16 55.73 1ghk n GLU 27 Cb 0.00 -0.06 0.07 0.00 -0.57 0.00 0.00 31.44 30.88 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 -2.17 3.28 0.01 0.62 0.00 -1.26 -4.13 121.76 118.10 1ghk s ALA 28 Ca 0.15 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1ghk s ALA 28 Cb -0.01 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 1ghk s ALA 28 CO 0.09 -1.24 0.05 0.08 0.00 0.00 0.00 175.76 174.74 1ghk s VAL 29 N -3.18 0.08 -0.02 0.00 1.01 -0.63 -4.85 120.40 112.82 1ghk s VAL 29 Ca 0.60 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1ghk s VAL 29 Cb -0.10 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1ghk s VAL 29 CO 0.44 -0.37 -0.05 -0.75 0.00 0.00 0.00 175.10 174.37 1ghk s LYS 30 N -1.18 0.56 0.38 2.72 2.20 -1.26 -2.93 119.74 120.24 1ghk s LYS 30 Ca -0.13 -0.15 -0.23 0.00 -0.36 0.00 0.00 55.97 55.10 1ghk s LYS 30 Cb -0.08 -0.57 -0.14 0.00 -1.51 0.00 0.00 37.83 35.53 1ghk s LYS 30 CO 0.00 0.04 0.35 -2.13 -0.36 0.00 0.00 175.35 173.25 1ghk n ARG 31 N 3.37 0.27 -2.95 4.03 0.63 -1.26 -2.50 116.66 118.25 1ghk n ARG 31 Ca -0.18 0.10 -0.11 0.00 -0.92 0.00 0.00 57.85 56.73 1ghk n ARG 31 Cb 0.55 -1.23 0.06 0.00 0.45 0.00 0.00 32.46 32.28 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 1.82 -2.54 -3.64 6.15 -0.08 -1.19 -4.92 116.55 112.16 1ghk n ASP 32 Ca 0.12 -0.38 -0.28 0.00 -1.51 0.00 0.00 54.79 52.74 1ghk n ASP 32 Cb 0.38 -3.40 -0.16 0.00 2.34 0.00 0.00 41.12 40.28 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 -5.04 0.33 1.01 -0.67 2.56 -1.04 -4.99 118.70 110.87 1ghk s GLU 33 Ca 0.07 -0.42 -0.21 0.00 0.00 0.00 0.00 54.97 54.41 1ghk s GLU 33 Cb -0.03 -1.74 -0.11 0.00 2.00 0.00 0.00 34.13 34.25 1ghk s GLU 33 CO 0.46 -0.80 -0.83 -0.11 -0.56 0.00 0.00 175.26 173.42 1ghk n LEU 34 N 5.16 -3.73 0.00 2.70 7.94 -1.26 -2.09 117.00 125.72 1ghk n LEU 34 Ca -0.07 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1ghk n LEU 34 Cb 0.46 -0.75 0.00 0.00 0.53 0.00 0.00 43.42 43.66 1ghk n LEU 34 CO 0.09 -4.08 0.00 -0.38 -1.11 0.00 0.00 177.39 171.91 1ghk n ILE 35 N -3.25 0.00 -3.71 1.96 5.41 0.60 -4.60 119.36 115.76 1ghk n ILE 35 Ca -0.01 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1ghk n ILE 35 Cb 0.64 -0.33 -0.10 0.00 -0.71 0.00 0.00 39.64 39.13 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 -1.76 -0.01 0.39 1.39 0.11 -0.85 -3.37 120.40 116.31 1ghk s VAL 36 Ca 0.00 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 1ghk s VAL 36 Cb 0.00 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 1ghk s VAL 36 CO 0.00 0.02 0.58 -1.81 -3.33 0.00 0.00 175.10 170.56 1ghk s ASP 37 N 0.81 5.95 0.07 3.54 1.01 -1.04 -0.53 116.67 126.49 1ghk s ASP 37 Ca -0.05 0.17 0.03 0.00 0.71 0.00 0.00 52.55 53.41 1ghk s ASP 37 Cb -0.06 -1.53 -0.03 0.00 1.01 0.00 0.00 42.92 42.31 1ghk s ASP 37 CO -0.06 -0.54 -0.10 -0.63 0.21 0.00 0.00 175.17 174.05 1ghk s ILE 38 N -2.39 0.79 -0.05 0.77 1.01 -0.79 -1.11 121.20 119.44 1ghk s ILE 38 Ca 0.46 -1.40 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 1ghk s ILE 38 Cb -0.10 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.34 1ghk s ILE 38 CO 0.35 -0.46 0.22 -1.83 0.00 0.00 0.00 174.94 173.22 1ghk s GLU 39 N -2.24 0.40 0.07 2.79 -1.05 -0.18 -2.01 118.70 116.47 1ghk s GLU 39 Ca -0.01 0.02 0.02 0.00 -0.15 0.00 0.00 54.97 54.85 1ghk s GLU 39 Cb -0.06 0.18 -0.01 0.00 -0.44 0.00 0.00 34.13 33.80 1ghk s GLU 39 CO 0.00 -0.08 0.06 2.41 0.95 0.00 0.00 175.26 178.60 1ghk n THR 40 N 2.24 0.00 -0.16 1.83 -1.04 -0.97 -0.88 114.28 115.29 1ghk n THR 40 Ca -0.17 -0.51 -0.07 0.00 -2.04 0.00 0.00 64.05 61.26 1ghk n THR 40 Cb 0.57 0.25 -0.06 0.00 -1.82 0.00 0.00 70.33 69.28 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 0.43 -1.18 -0.67 8.00 3.58 -1.98 -3.30 116.42 121.29 1ghk h ASP 41 Ca -0.05 0.17 -0.29 0.00 0.42 0.00 0.00 57.03 57.27 1ghk h ASP 41 Cb 0.25 0.51 -0.40 0.00 1.72 0.00 0.00 39.33 41.41 1ghk h ASP 41 CO 0.07 -0.19 -1.15 0.29 -2.88 0.00 0.00 179.24 175.39 1ghk n LYS 42 N -4.29 1.52 -3.40 0.28 4.76 -1.26 -5.02 118.16 110.75 1ghk n LYS 42 Ca -0.00 -3.42 -0.15 0.00 -2.87 0.00 0.00 58.31 51.87 1ghk n LYS 42 Cb 0.18 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 31.80 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 -3.55 -0.46 -0.02 -0.18 1.01 -1.25 -5.14 120.40 110.81 1ghk s VAL 43 Ca 0.27 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 1ghk s VAL 43 Cb 0.38 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1ghk s VAL 43 CO -0.01 -0.32 0.24 -0.69 0.00 0.00 0.00 175.10 174.33 1ghk s VAL 44 N 2.42 5.34 0.31 2.92 1.01 -1.26 -2.28 120.40 128.86 1ghk s VAL 44 Ca 0.10 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1ghk s VAL 44 Cb -0.14 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1ghk s VAL 44 CO -0.25 0.43 0.34 0.23 0.00 0.00 0.00 175.10 175.85 1ghk n MET 45 N 1.34 0.49 -4.12 2.72 2.81 -0.85 -5.00 117.12 114.50 1ghk n MET 45 Ca -0.13 -2.86 -0.10 0.00 -1.81 0.00 0.00 57.70 52.80 1ghk n MET 45 Cb 0.53 2.50 -0.09 0.00 -0.71 0.00 0.00 33.22 35.45 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 -3.03 0.99 -0.31 0.03 -1.05 -1.26 -1.88 118.70 112.18 1ghk s GLU 46 Ca 0.33 -1.41 -0.02 0.00 -0.15 0.00 0.00 54.97 53.71 1ghk s GLU 46 Cb 0.01 0.27 0.11 0.00 -0.44 0.00 0.00 34.13 34.07 1ghk s GLU 46 CO 0.23 -0.30 0.14 0.08 0.95 0.00 0.00 175.26 176.36 1ghk s VAL 47 N -4.04 0.28 0.26 1.83 1.01 0.32 -4.86 120.40 115.18 1ghk s VAL 47 Ca 0.24 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 61.16 1ghk s VAL 47 Cb 0.07 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1ghk s VAL 47 CO 0.02 -0.75 0.28 -1.48 0.00 0.00 0.00 175.10 173.17 1ghk s LEU 48 N 1.77 4.02 0.08 3.92 2.34 -1.26 -0.29 118.68 129.25 1ghk s LEU 48 Ca 0.11 -0.13 -0.30 0.00 0.06 0.00 0.00 54.13 53.86 1ghk s LEU 48 Cb -0.18 -2.57 -0.05 0.00 -0.56 0.00 0.00 46.19 42.83 1ghk s LEU 48 CO -0.28 -0.09 1.04 0.00 -1.06 0.00 0.00 176.35 175.97 1ghk s ALA 49 N -2.08 3.28 -1.70 1.48 0.00 -0.89 -4.84 121.76 117.00 1ghk s ALA 49 Ca 0.34 0.67 0.07 0.00 0.00 0.00 0.00 51.96 53.04 1ghk s ALA 49 Cb -0.08 -3.34 0.22 0.00 0.00 0.00 0.00 23.12 19.91 1ghk s ALA 49 CO 0.27 -0.20 1.11 0.39 0.00 0.00 0.00 175.76 177.32 1ghk n GLU 50 N 3.24 1.71 0.00 0.00 -0.58 -1.26 -3.17 120.64 120.59 1ghk n GLU 50 Ca 0.05 -0.88 0.00 0.00 -0.42 0.00 0.00 57.16 55.91 1ghk n GLU 50 Cb 0.48 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 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 0.19 0.00 -0.87 0.62 0.00 -1.26 -4.89 120.51 114.30 1ghk n ALA 51 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1ghk n ALA 51 Cb 0.28 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.95 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 1.54 0.00 0.00 -1.08 -1.26 -4.27 116.67 111.60 1ghk s ASP 52 Ca 0.00 1.23 0.00 0.00 -0.52 0.00 0.00 52.55 53.26 1ghk s ASP 52 Cb 0.00 -1.91 0.00 0.00 -1.46 0.00 0.00 42.92 39.55 1ghk s ASP 52 CO 0.00 -3.81 0.00 0.61 0.52 0.00 0.00 175.17 172.49 1ghk n GLY 53 N -0.19 0.18 2.84 2.66 0.00 -1.15 -3.87 105.19 105.66 1ghk n GLY 53 Ca 0.05 -1.31 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 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 0.44 1.04 1.61 1.01 -0.96 -1.60 120.40 118.33 1ghk s VAL 54 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 1ghk s VAL 54 Cb 0.00 -0.52 0.15 0.00 0.00 0.00 0.00 36.38 36.01 1ghk s VAL 54 CO 0.00 0.23 0.67 -0.38 0.00 0.00 0.00 175.10 175.61 1ghk n ILE 55 N 4.44 0.00 -0.03 2.22 5.41 -1.26 -1.37 119.36 128.77 1ghk n ILE 55 Ca -0.19 -0.23 -0.04 0.00 1.00 0.00 0.00 62.75 63.29 1ghk n ILE 55 Cb 0.50 -0.81 -0.01 0.00 -0.71 0.00 0.00 39.64 38.61 1ghk n ILE 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ghk n ALA 56 N -4.31 1.18 -3.65 -1.39 0.00 0.13 -4.29 120.51 108.19 1ghk n ALA 56 Ca 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 1ghk n ALA 56 Cb 0.55 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.06 0.04 -0.22 0.00 -1.05 -1.26 -4.64 118.70 109.50 1ghk s GLU 57 Ca -0.14 0.03 -0.07 0.00 -0.15 0.00 0.00 54.97 54.64 1ghk s GLU 57 Cb 0.02 0.02 -0.03 0.00 -0.44 0.00 0.00 34.13 33.69 1ghk s GLU 57 CO 0.20 -0.01 0.07 0.42 0.95 0.00 0.00 175.26 176.89 1ghk s ILE 58 N -0.40 4.48 -0.25 1.83 -1.09 -1.26 -3.83 121.20 120.68 1ghk s ILE 58 Ca 0.08 -0.13 0.23 0.00 -2.23 0.00 0.00 60.65 58.60 1ghk s ILE 58 Cb -0.03 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1ghk s ILE 58 CO -0.13 0.38 1.05 0.58 -1.23 0.00 0.00 174.94 175.60 1ghk h VAL 59 N 5.30 0.00 -3.32 2.92 2.07 -1.64 -3.45 116.25 118.11 1ghk h VAL 59 Ca -0.37 -0.99 -0.66 0.00 0.82 0.00 0.00 66.70 65.50 1ghk h VAL 59 Cb 1.18 1.49 -0.29 0.00 -1.52 0.00 0.00 31.29 32.15 1ghk h VAL 59 CO 0.62 0.00 -0.80 -0.75 0.02 0.00 0.00 177.57 176.66 1ghk s LYS 60 N -3.36 3.28 0.42 1.57 2.47 -1.26 -5.12 119.74 117.74 1ghk s LYS 60 Ca -0.00 -0.75 -0.07 0.00 -1.56 0.00 0.00 55.97 53.59 1ghk s LYS 60 Cb 0.10 -2.53 -0.05 0.00 -1.46 0.00 0.00 37.83 33.89 1ghk s LYS 60 CO 0.79 0.20 0.74 -0.80 0.16 0.00 0.00 175.35 176.44 1ghk s ASN 61 N 0.35 6.40 0.69 1.43 0.01 -1.26 -5.01 114.94 117.55 1ghk s ASN 61 Ca -0.13 0.98 -0.17 0.00 -0.71 0.00 0.00 52.86 52.83 1ghk s ASN 61 Cb -0.17 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.25 1ghk s ASN 61 CO 0.07 -0.44 1.26 -1.83 -1.51 0.00 0.00 177.10 174.64 1ghk s GLU 62 N -4.19 2.31 0.00 -0.60 -1.05 -1.26 -2.29 118.70 111.62 1ghk s GLU 62 Ca 0.48 1.96 0.00 0.00 -0.15 0.00 0.00 54.97 57.26 1ghk s GLU 62 Cb -0.10 -1.83 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 1ghk s GLU 62 CO 0.37 -1.76 0.00 0.41 0.95 0.00 0.00 175.26 175.23 1ghk n GLY 63 N 0.74 1.97 3.95 -3.83 0.00 -1.23 -4.94 105.19 101.85 1ghk n GLY 63 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.16 4.87 0.17 1.61 -1.08 -0.97 -4.80 116.67 113.30 1ghk s ASP 64 Ca 0.00 0.20 -0.11 0.00 -0.52 0.00 0.00 52.55 52.12 1ghk s ASP 64 Cb 0.00 -0.89 -0.07 0.00 -1.46 0.00 0.00 42.92 40.51 1ghk s ASP 64 CO 0.00 -1.50 0.51 -0.89 0.52 0.00 0.00 175.17 173.81 1ghk s THR 65 N -3.09 4.95 0.51 1.71 2.01 -1.26 -1.81 115.64 118.66 1ghk s THR 65 Ca 0.60 0.58 0.01 0.00 0.31 0.00 0.00 61.69 63.19 1ghk s THR 65 Cb -0.10 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 1ghk s THR 65 CO 0.43 0.12 0.00 0.68 -0.69 0.00 0.00 174.62 175.16 1ghk s VAL 66 N -1.60 1.12 0.20 3.82 -7.23 -0.84 -4.88 120.40 111.00 1ghk s VAL 66 Ca 0.41 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.62 1ghk s VAL 66 Cb -0.13 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1ghk s VAL 66 CO 0.20 0.00 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.71 1ghk s LEU 67 N -3.88 2.39 -0.64 1.32 0.20 -1.26 -3.67 118.68 113.13 1ghk s LEU 67 Ca 0.05 -1.11 -0.26 0.00 0.69 0.00 0.00 54.13 53.49 1ghk s LEU 67 Cb 0.01 -0.38 -0.06 0.00 -0.43 0.00 0.00 46.19 45.34 1ghk s LEU 67 CO 0.02 -0.39 2.14 -0.55 -0.29 0.00 0.00 176.35 177.28 1ghk s SER 68 N -3.26 4.77 0.00 3.68 0.15 -1.26 -1.52 113.70 116.26 1ghk s SER 68 Ca 0.23 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1ghk s SER 68 Cb 0.04 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1ghk s SER 68 CO 0.06 -2.81 0.00 0.61 1.20 0.00 0.00 173.24 172.29 1ghk n GLY 69 N 6.12 1.76 3.73 9.45 0.00 -1.09 -4.88 105.19 120.28 1ghk n GLY 69 Ca 0.32 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.80 4.50 -0.34 1.61 2.56 -0.57 -4.79 118.70 120.86 1ghk s GLU 70 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 54.97 55.78 1ghk s GLU 70 Cb 0.00 -3.41 0.02 0.00 2.00 0.00 0.00 34.13 32.73 1ghk s GLU 70 CO 0.00 0.14 1.15 -1.17 -0.56 0.00 0.00 175.26 174.81 1ghk s LEU 71 N 0.46 3.87 0.13 2.70 0.20 -1.26 -1.42 118.68 123.35 1ghk s LEU 71 Ca 0.42 0.99 0.20 0.00 0.69 0.00 0.00 54.13 56.43 1ghk s LEU 71 Cb -0.20 -3.54 -0.08 0.00 -0.43 0.00 0.00 46.19 41.94 1ghk s LEU 71 CO 0.23 -1.00 0.89 0.18 -0.29 0.00 0.00 176.35 176.37 1ghk n LEU 72 N 7.24 0.76 0.00 -0.68 4.77 -0.84 -4.72 117.00 123.52 1ghk n LEU 72 Ca 0.13 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1ghk n LEU 72 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1ghk n LEU 72 CO 0.62 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1ghk n GLY 73 N 1.27 -0.39 3.19 -0.72 0.00 -1.24 -1.82 105.19 105.48 1ghk n GLY 73 Ca -0.04 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 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 1.70 0.05 1.61 1.02 -1.25 -1.82 119.74 119.06 1ghk s LYS 74 Ca 0.00 -0.69 -0.10 0.00 0.02 0.00 0.00 55.97 55.20 1ghk s LYS 74 Cb 0.00 -1.58 -0.06 0.00 -0.52 0.00 0.00 37.83 35.68 1ghk s LYS 74 CO 0.00 0.37 0.37 -1.17 -0.92 0.00 0.00 175.35 174.00 1ghk s LEU 75 N -0.30 4.37 0.44 3.17 2.96 -0.73 -0.69 118.68 127.91 1ghk s LEU 75 Ca 0.04 0.77 0.07 0.00 -0.22 0.00 0.00 54.13 54.79 1ghk s LEU 75 Cb -0.09 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 1ghk s LEU 75 CO 0.00 0.21 0.39 -0.89 -1.32 0.00 0.00 176.35 174.74 1ghk s THR 76 N -1.33 2.45 0.00 3.68 2.01 -0.47 -3.04 115.64 118.94 1ghk s THR 76 Ca 0.30 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.92 1ghk s THR 76 Cb -0.14 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1ghk s THR 76 CO 0.17 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.48 1ghk n GLU 77 N -1.59 0.40 -2.75 4.92 1.02 -1.26 -3.29 120.64 118.09 1ghk n GLU 77 Ca 0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.11 1ghk n GLU 77 Cb 0.62 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 32.07 1ghk n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ghk n GLY 78 N 5.00 -0.34 3.78 0.62 0.00 -1.25 -2.27 105.19 110.73 1ghk n GLY 78 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93