#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 -0.33 0.04 0.00 -1.09 -1.26 -5.03 121.20 113.53 1ghk s ILE 2 Ca 0.00 -0.59 -0.29 0.00 -2.23 0.00 0.00 60.65 57.53 1ghk s ILE 2 Cb 0.00 -0.97 -0.04 0.00 -1.58 0.00 0.00 42.46 39.87 1ghk s ILE 2 CO 0.00 -0.53 0.94 -0.62 -1.23 0.00 0.00 174.94 173.50 1ghk s ASP 3 N 2.23 7.39 -0.52 3.58 -1.08 -1.26 -2.13 116.67 124.87 1ghk s ASP 3 Ca 0.10 1.67 -0.12 0.00 -0.52 0.00 0.00 52.55 53.68 1ghk s ASP 3 Cb -0.15 -2.56 0.13 0.00 -1.46 0.00 0.00 42.92 38.88 1ghk s ASP 3 CO -0.31 -0.16 0.43 -0.63 0.52 0.00 0.00 175.17 175.02 1ghk s ILE 4 N 0.53 4.62 0.53 4.11 1.01 -0.92 -4.99 121.20 126.09 1ghk s ILE 4 Ca 0.48 -1.77 0.07 0.00 0.00 0.00 0.00 60.65 59.43 1ghk s ILE 4 Cb -0.22 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.29 1ghk s ILE 4 CO 0.28 -0.83 0.50 -0.54 0.00 0.00 0.00 174.94 174.35 1ghk s LYS 5 N 1.33 2.32 0.77 2.79 1.02 -1.26 -1.81 119.74 124.89 1ghk s LYS 5 Ca 0.06 -1.83 -0.12 0.00 0.02 0.00 0.00 55.97 54.10 1ghk s LYS 5 Cb -0.26 -2.30 0.05 0.00 -0.52 0.00 0.00 37.83 34.80 1ghk s LYS 5 CO -0.00 -0.61 1.11 0.00 -0.92 0.00 0.00 175.35 174.94 1ghk s ALA 6 N -2.69 2.56 0.60 5.17 0.00 -0.34 -4.86 121.76 122.20 1ghk s ALA 6 Ca 0.44 -0.36 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 1ghk s ALA 6 Cb -0.03 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1ghk s ALA 6 CO 0.27 -1.50 1.03 -1.25 0.00 0.00 0.00 175.76 174.31 1ghk s PRO 7 N -5.32 3.50 0.53 0.00 0.04 -1.26 -4.40 135.00 128.09 1ghk s PRO 7 Ca 0.60 0.96 -0.22 0.00 0.04 0.00 0.00 61.00 62.38 1ghk s PRO 7 Cb -0.12 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1ghk s PRO 7 CO 0.52 -0.65 1.31 -0.08 0.04 0.00 0.00 177.00 178.14 1ghk s THR 8 N -2.82 2.32 -0.42 1.26 -1.32 -1.26 -4.55 115.64 108.85 1ghk s THR 8 Ca 0.59 0.23 0.02 0.00 -1.21 0.00 0.00 61.69 61.32 1ghk s THR 8 Cb -0.12 -3.12 0.13 0.00 -1.51 0.00 0.00 72.50 67.88 1ghk s THR 8 CO 0.43 -0.01 0.22 -0.36 -2.21 0.00 0.00 174.62 172.69 1ghk s PHE 9 N -1.37 1.96 0.00 9.09 0.08 -1.26 -4.97 117.98 121.50 1ghk s PHE 9 Ca 0.70 -2.33 0.00 0.00 0.12 0.00 0.00 56.93 55.42 1ghk s PHE 9 Cb -0.37 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.21 1ghk s PHE 9 CO 0.44 -0.80 0.00 -0.35 -0.10 0.00 0.00 175.22 174.41 1ghk n PRO 10 N 3.74 0.65 0.01 0.24 -0.04 -1.12 -4.65 135.00 133.82 1ghk n PRO 10 Ca 0.07 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 1ghk n PRO 10 Cb 0.36 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.78 1ghk n PRO 10 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ghk h GLU 11 N 0.00 -0.38 -0.69 0.54 4.81 -2.00 -2.40 114.58 114.46 1ghk h GLU 11 Ca 0.00 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1ghk h GLU 11 Cb 0.00 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.37 1ghk h GLU 11 CO 0.00 -0.25 -0.56 1.03 -0.73 0.00 0.00 179.01 178.50 1ghk h SER 12 N -0.39 -1.97 -3.77 1.04 0.87 -2.02 -3.34 113.55 103.97 1ghk h SER 12 Ca 0.09 0.28 -0.65 0.00 -1.23 0.00 0.00 61.79 60.28 1ghk h SER 12 Cb 0.54 0.84 -0.20 0.00 -0.44 0.00 0.00 62.40 63.14 1ghk h SER 12 CO -0.34 -0.31 -0.55 -0.63 -0.53 0.00 0.00 176.83 174.47 1ghk s ILE 13 N -5.51 4.91 -2.80 2.23 1.01 -0.90 -4.93 121.20 115.20 1ghk s ILE 13 Ca -0.13 -0.05 0.25 0.00 0.00 0.00 0.00 60.65 60.73 1ghk s ILE 13 Cb 0.09 -3.36 0.29 0.00 0.01 0.00 0.00 42.46 39.49 1ghk s ILE 13 CO 0.60 0.23 1.40 0.00 0.00 0.00 0.00 174.94 177.18 1ghk n ALA 14 N 5.01 2.54 -3.35 9.38 0.00 -1.25 -2.78 120.51 130.07 1ghk n ALA 14 Ca -0.15 -0.61 0.05 0.00 0.00 0.00 0.00 53.44 52.73 1ghk n ALA 14 Cb 0.51 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 19.05 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 0.92 -0.51 -3.87 0.00 5.68 -1.26 -4.90 116.55 112.60 1ghk n ASP 15 Ca 0.15 -1.19 -0.09 0.00 -0.50 0.00 0.00 54.79 53.17 1ghk n ASP 15 Cb 0.52 0.81 -0.04 0.00 -1.14 0.00 0.00 41.12 41.28 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 -2.84 0.37 -0.18 6.12 0.00 -1.24 -4.66 107.32 104.90 1ghk s GLY 16 Ca 0.10 -0.72 -0.06 0.00 0.00 0.00 0.00 44.72 44.04 1ghk s GLY 16 CO 0.01 -0.46 0.35 -1.59 0.00 0.00 0.00 173.10 171.41 1ghk s THR 17 N -3.86 -0.56 1.04 0.90 2.01 -0.30 -1.82 115.64 113.05 1ghk s THR 17 Ca 0.19 0.17 -0.23 0.00 0.31 0.00 0.00 61.69 62.14 1ghk s THR 17 Cb -0.03 -0.61 -0.07 0.00 0.01 0.00 0.00 72.50 71.81 1ghk s THR 17 CO 0.09 0.06 -0.80 0.52 -0.69 0.00 0.00 174.62 173.80 1ghk n VAL 18 N 5.37 0.00 0.00 3.82 0.31 -0.38 -1.25 118.33 126.20 1ghk n VAL 18 Ca -0.07 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1ghk n VAL 18 Cb 0.50 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 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 -3.77 2.00 -3.61 3.52 0.00 -0.33 -2.91 120.51 115.41 1ghk n ALA 19 Ca -0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1ghk n ALA 19 Cb 0.68 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.93 -0.00 -1.08 0.00 2.01 -1.25 -3.68 115.64 110.71 1ghk s THR 20 Ca 0.00 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 1ghk s THR 20 Cb 0.00 -0.93 0.15 0.00 0.01 0.00 0.00 72.50 71.73 1ghk s THR 20 CO 0.00 0.00 1.28 0.26 -0.69 0.00 0.00 174.62 175.48 1ghk s TRP 21 N 1.01 3.34 0.00 4.92 0.52 -1.26 -2.42 118.94 125.04 1ghk s TRP 21 Ca -0.05 -1.80 0.00 0.00 0.02 0.00 0.00 56.10 54.26 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 -0.09 -1.43 0.98 0.72 0.02 0.00 0.00 176.95 177.15 1ghk n HIS 22 N 6.00 0.00 -3.07 -1.98 8.25 -1.21 -4.68 115.22 118.53 1ghk n HIS 22 Ca 0.30 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.72 1ghk n HIS 22 Cb 0.46 -0.48 0.01 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 -2.79 0.96 -4.46 -0.41 5.02 -1.25 -5.12 118.16 110.11 1ghk n LYS 23 Ca 0.00 -0.69 -0.22 0.00 -2.02 0.00 0.00 58.31 55.38 1ghk n LYS 23 Cb 0.00 -0.04 -0.11 0.00 -0.02 0.00 0.00 35.03 34.87 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 -2.56 1.64 0.06 1.97 1.02 -1.26 -4.96 119.74 115.65 1ghk s LYS 24 Ca 0.13 -1.87 -0.30 0.00 0.02 0.00 0.00 55.97 53.94 1ghk s LYS 24 Cb -0.01 -1.10 -0.05 0.00 -0.52 0.00 0.00 37.83 36.15 1ghk s LYS 24 CO 0.08 -0.06 1.09 -1.25 -0.92 0.00 0.00 175.35 174.29 1ghk s PRO 25 N -3.79 4.52 0.00 -1.68 0.04 -1.26 -3.54 135.00 129.29 1ghk s PRO 25 Ca 0.33 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1ghk s PRO 25 Cb 0.06 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1ghk s PRO 25 CO 0.14 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1ghk n GLY 26 N 2.85 1.49 1.73 0.56 0.00 -1.25 -4.81 105.19 105.77 1ghk n GLY 26 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.46 0.11 -2.54 1.61 -0.58 -1.23 -4.87 120.64 112.68 1ghk n GLU 27 Ca 0.00 -1.15 -0.40 0.00 -0.42 0.00 0.00 57.16 55.19 1ghk n GLU 27 Cb 0.00 -0.36 -0.05 0.00 -0.57 0.00 0.00 31.44 30.46 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 -3.17 3.38 0.21 0.62 0.00 -1.26 -4.63 121.76 116.91 1ghk s ALA 28 Ca 0.30 0.82 0.06 0.00 0.00 0.00 0.00 51.96 53.15 1ghk s ALA 28 Cb -0.02 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1ghk s ALA 28 CO 0.20 -0.08 -0.10 0.08 0.00 0.00 0.00 175.76 175.87 1ghk s VAL 29 N -1.19 1.49 -0.18 0.00 1.01 -1.26 -5.04 120.40 115.23 1ghk s VAL 29 Ca 0.44 -2.14 -0.15 0.00 0.00 0.00 0.00 61.98 60.14 1ghk s VAL 29 Cb -0.30 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.01 1ghk s VAL 29 CO 0.38 -0.54 0.48 -0.75 0.00 0.00 0.00 175.10 174.67 1ghk s LYS 30 N -3.71 0.53 0.22 2.72 2.47 -1.26 -4.14 119.74 116.56 1ghk s LYS 30 Ca 0.23 0.72 -0.28 0.00 -1.56 0.00 0.00 55.97 55.08 1ghk s LYS 30 Cb 0.02 0.21 -0.16 0.00 -1.46 0.00 0.00 37.83 36.43 1ghk s LYS 30 CO 0.07 -0.09 0.68 -2.13 0.16 0.00 0.00 175.35 174.03 1ghk n ARG 31 N 3.18 0.38 -2.88 4.03 0.00 -1.26 -2.12 116.66 117.98 1ghk n ARG 31 Ca -0.16 0.13 -0.11 0.00 -0.00 0.00 0.00 57.85 57.72 1ghk n ARG 31 Cb 0.57 -1.25 0.05 0.00 0.00 0.00 0.00 32.46 31.82 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 1.78 -2.29 -3.71 6.15 2.03 -0.60 -4.92 116.55 115.00 1ghk n ASP 32 Ca 0.16 -0.37 -0.29 0.00 0.52 0.00 0.00 54.79 54.81 1ghk n ASP 32 Cb 0.26 -3.26 -0.16 0.00 -0.72 0.00 0.00 41.12 37.25 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 -4.91 0.63 0.59 -0.67 2.12 -0.90 -4.93 118.70 110.64 1ghk s GLU 33 Ca 0.04 -0.75 -0.18 0.00 0.36 0.00 0.00 54.97 54.43 1ghk s GLU 33 Cb -0.02 -1.92 -0.13 0.00 0.26 0.00 0.00 34.13 32.32 1ghk s GLU 33 CO 0.44 -0.86 -0.03 -0.11 -0.54 0.00 0.00 175.26 174.16 1ghk n LEU 34 N 4.98 -2.77 0.00 2.70 7.94 -1.26 -2.12 117.00 126.46 1ghk n LEU 34 Ca -0.05 0.61 0.00 0.00 -1.11 0.00 0.00 56.01 55.46 1ghk n LEU 34 Cb 0.44 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.46 1ghk n LEU 34 CO 0.11 -4.49 0.00 -0.38 -1.11 0.00 0.00 177.39 171.52 1ghk n ILE 35 N -1.74 0.00 -3.69 1.96 5.41 0.24 -4.76 119.36 116.79 1ghk n ILE 35 Ca 0.08 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.73 1ghk n ILE 35 Cb 0.48 -0.01 -0.10 0.00 -0.71 0.00 0.00 39.64 39.30 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 -1.02 -0.13 0.51 1.39 0.11 -0.99 -3.31 120.40 116.95 1ghk s VAL 36 Ca 0.00 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.13 1ghk s VAL 36 Cb 0.00 -0.63 -0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1ghk s VAL 36 CO 0.00 0.04 0.77 -1.81 -3.33 0.00 0.00 175.10 170.78 1ghk s ASP 37 N 1.63 5.77 0.05 3.54 1.01 -1.02 -1.16 116.67 126.48 1ghk s ASP 37 Ca -0.08 0.51 0.02 0.00 0.71 0.00 0.00 52.55 53.71 1ghk s ASP 37 Cb -0.09 -1.66 -0.03 0.00 1.01 0.00 0.00 42.92 42.15 1ghk s ASP 37 CO -0.13 -0.84 -0.07 -0.63 0.21 0.00 0.00 175.17 173.71 1ghk s ILE 38 N -2.75 0.49 -0.02 0.77 1.01 0.02 -1.19 121.20 119.54 1ghk s ILE 38 Ca 0.51 -1.22 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 1ghk s ILE 38 Cb -0.10 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.62 1ghk s ILE 38 CO 0.41 -0.50 0.04 -1.83 0.00 0.00 0.00 174.94 173.06 1ghk s GLU 39 N -2.01 0.01 0.00 2.79 -1.05 -0.38 -2.00 118.70 116.05 1ghk s GLU 39 Ca -0.07 0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.88 1ghk s GLU 39 Cb -0.07 -0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.51 1ghk s GLU 39 CO -0.01 -0.08 0.00 -2.37 0.95 0.00 0.00 175.26 173.75 1ghk n THR 40 N 3.62 0.00 -0.25 1.83 5.66 -1.11 -1.15 114.28 122.88 1ghk n THR 40 Ca -0.20 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.70 1ghk n THR 40 Cb 0.55 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.25 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 0.00 -1.67 -0.38 1.09 1.82 -1.95 -3.34 116.42 111.99 1ghk h ASP 41 Ca 0.00 0.24 -0.25 0.00 -0.39 0.00 0.00 57.03 56.63 1ghk h ASP 41 Cb 0.00 0.72 -0.28 0.00 0.68 0.00 0.00 39.33 40.45 1ghk h ASP 41 CO 0.00 -0.25 -0.76 0.29 -1.61 0.00 0.00 179.24 176.92 1ghk n LYS 42 N -4.85 1.36 -3.27 0.28 5.02 -1.26 -5.06 118.16 110.38 1ghk n LYS 42 Ca -0.00 -2.50 -0.04 0.00 -2.02 0.00 0.00 58.31 53.75 1ghk n LYS 42 Cb 0.24 -0.66 -0.05 0.00 -0.02 0.00 0.00 35.03 34.54 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 -1.74 -0.76 -0.06 -0.18 1.01 -1.26 -5.14 120.40 112.28 1ghk s VAL 43 Ca 0.22 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1ghk s VAL 43 Cb 0.41 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1ghk s VAL 43 CO -0.05 -0.10 0.28 0.54 0.00 0.00 0.00 175.10 175.78 1ghk s VAL 44 N 2.66 5.25 -0.03 2.92 0.11 -1.26 -2.75 120.40 127.30 1ghk s VAL 44 Ca 0.15 0.54 0.02 0.00 -2.93 0.00 0.00 61.98 59.77 1ghk s VAL 44 Cb -0.15 -3.57 0.01 0.00 -1.53 0.00 0.00 36.38 31.14 1ghk s VAL 44 CO -0.20 0.60 -0.09 -0.04 -3.33 0.00 0.00 175.10 172.04 1ghk s MET 45 N -1.06 1.08 0.28 1.54 -1.94 -0.85 -4.97 119.30 113.38 1ghk s MET 45 Ca 0.20 -0.31 -0.10 0.00 -1.71 0.00 0.00 55.69 53.77 1ghk s MET 45 Cb -0.14 -0.99 -0.07 0.00 2.01 0.00 0.00 34.83 35.64 1ghk s MET 45 CO 0.09 0.08 0.61 -1.21 -0.01 0.00 0.00 175.02 174.58 1ghk s GLU 46 N 0.34 3.80 -0.30 2.03 2.02 -1.26 -0.80 118.70 124.53 1ghk s GLU 46 Ca -0.06 0.32 0.02 0.00 0.02 0.00 0.00 54.97 55.27 1ghk s GLU 46 Cb -0.10 -2.58 0.09 0.00 0.10 0.00 0.00 34.13 31.64 1ghk s GLU 46 CO 0.01 0.22 0.01 0.08 0.02 0.00 0.00 175.26 175.60 1ghk s VAL 47 N -1.97 1.89 0.44 2.63 1.01 -0.31 -4.94 120.40 119.16 1ghk s VAL 47 Ca 0.48 -1.86 0.08 0.00 0.00 0.00 0.00 61.98 60.68 1ghk s VAL 47 Cb -0.11 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1ghk s VAL 47 CO 0.23 -0.42 0.52 -1.48 0.00 0.00 0.00 175.10 173.95 1ghk s LEU 48 N 1.14 3.47 0.05 3.92 0.05 -1.26 -0.59 118.68 125.46 1ghk s LEU 48 Ca 0.04 -0.61 -0.25 0.00 0.05 0.00 0.00 54.13 53.37 1ghk s LEU 48 Cb -0.19 -2.29 -0.06 0.00 -2.05 0.00 0.00 46.19 41.61 1ghk s LEU 48 CO -0.10 -0.80 0.76 0.00 -0.55 0.00 0.00 176.35 175.66 1ghk s ALA 49 N -2.44 3.38 -1.89 1.48 0.00 -0.90 -4.86 121.76 116.53 1ghk s ALA 49 Ca 0.52 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.81 1ghk s ALA 49 Cb -0.07 -2.98 0.16 0.00 0.00 0.00 0.00 23.12 20.24 1ghk s ALA 49 CO 0.31 0.08 1.10 -1.91 0.00 0.00 0.00 175.76 175.35 1ghk n GLU 50 N 2.75 1.47 0.00 0.00 0.00 -1.26 -1.55 120.64 122.04 1ghk n GLU 50 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 57.16 56.47 1ghk n GLU 50 Cb 0.50 -1.19 0.00 0.00 0.00 0.00 0.00 31.44 30.75 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 0.04 0.00 -1.10 4.31 0.00 -1.26 -4.83 120.51 117.67 1ghk n ALA 51 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 1ghk n ALA 51 Cb 0.18 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.83 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 2.14 0.00 0.00 2.15 -1.26 -4.30 116.67 115.39 1ghk s ASP 52 Ca 0.00 1.11 0.00 0.00 0.43 0.00 0.00 52.55 54.09 1ghk s ASP 52 Cb 0.00 -1.73 0.00 0.00 -0.30 0.00 0.00 42.92 40.89 1ghk s ASP 52 CO 0.00 -3.42 0.00 0.61 -0.17 0.00 0.00 175.17 172.19 1ghk n GLY 53 N -0.89 0.17 2.77 2.66 0.00 -1.26 -4.95 105.19 103.69 1ghk n GLY 53 Ca 0.06 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 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 0.07 0.96 1.61 1.01 -1.26 -4.05 120.40 114.74 1ghk s VAL 54 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 1ghk s VAL 54 Cb 0.00 -0.21 0.17 0.00 0.00 0.00 0.00 36.38 36.33 1ghk s VAL 54 CO 0.00 0.15 1.15 -0.63 0.00 0.00 0.00 175.10 175.77 1ghk s ILE 55 N 1.37 1.95 -0.07 2.22 -1.09 -1.26 -1.06 121.20 123.25 1ghk s ILE 55 Ca -0.05 0.00 -0.09 0.00 -2.23 0.00 0.00 60.65 58.28 1ghk s ILE 55 Cb -0.13 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.99 1ghk s ILE 55 CO -0.03 0.00 -0.17 0.00 -1.23 0.00 0.00 174.94 173.51 1ghk n ALA 56 N -3.92 1.07 -3.64 9.38 0.00 0.53 -3.76 120.51 120.17 1ghk n ALA 56 Ca 0.08 -0.47 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 1ghk n ALA 56 Cb 0.59 0.05 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.05 0.04 0.11 0.00 2.12 -1.26 -4.70 118.70 112.96 1ghk s GLU 57 Ca -0.14 -0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.08 1ghk s GLU 57 Cb 0.02 0.02 -0.06 0.00 0.26 0.00 0.00 34.13 34.37 1ghk s GLU 57 CO 0.21 -0.02 0.43 0.42 -0.54 0.00 0.00 175.26 175.76 1ghk s ILE 58 N -1.89 5.06 -0.19 -3.70 1.09 -1.26 -3.76 121.20 116.55 1ghk s ILE 58 Ca 0.11 0.45 -0.18 0.00 -1.10 0.00 0.00 60.65 59.92 1ghk s ILE 58 Cb -0.01 -3.65 -0.15 0.00 -1.06 0.00 0.00 42.46 37.59 1ghk s ILE 58 CO -0.03 0.22 0.12 0.58 -0.10 0.00 0.00 174.94 175.72 1ghk h VAL 59 N 2.67 0.69 -2.49 2.92 2.07 -0.42 -3.47 116.25 118.21 1ghk h VAL 59 Ca -0.48 -1.89 -0.56 0.00 0.82 0.00 0.00 66.70 64.59 1ghk h VAL 59 Cb 1.19 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 32.55 1ghk h VAL 59 CO 0.67 0.23 -0.59 -0.75 0.02 0.00 0.00 177.57 177.16 1ghk s LYS 60 N -2.33 2.68 0.38 1.57 2.47 -1.26 -5.10 119.74 118.15 1ghk s LYS 60 Ca -0.25 -1.08 -0.07 0.00 -1.56 0.00 0.00 55.97 53.00 1ghk s LYS 60 Cb 0.05 -2.46 -0.05 0.00 -1.46 0.00 0.00 37.83 33.90 1ghk s LYS 60 CO 0.50 0.43 0.69 -0.80 0.16 0.00 0.00 175.35 176.33 1ghk s ASN 61 N -3.40 6.43 0.53 1.43 0.01 -1.26 -5.02 114.94 113.66 1ghk s ASN 61 Ca 0.31 0.92 -0.22 0.00 -0.71 0.00 0.00 52.86 53.15 1ghk s ASN 61 Cb -0.09 -2.23 -0.05 0.00 0.41 0.00 0.00 41.25 39.29 1ghk s ASN 61 CO 0.22 -0.37 1.36 -1.83 -1.51 0.00 0.00 177.10 174.97 1ghk s GLU 62 N -3.98 3.24 0.00 -0.60 4.04 -1.26 -2.34 118.70 117.80 1ghk s GLU 62 Ca 0.47 2.24 0.00 0.00 0.04 0.00 0.00 54.97 57.72 1ghk s GLU 62 Cb -0.10 -2.32 0.00 0.00 0.02 0.00 0.00 34.13 31.73 1ghk s GLU 62 CO 0.34 -1.11 0.00 0.41 -1.84 0.00 0.00 175.26 173.06 1ghk n GLY 63 N 0.69 1.32 3.95 -3.83 0.00 -1.15 -4.90 105.19 101.28 1ghk n GLY 63 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.18 4.91 0.05 1.61 -1.08 -0.99 -4.78 116.67 114.22 1ghk s ASP 64 Ca 0.00 0.19 0.05 0.00 -0.52 0.00 0.00 52.55 52.27 1ghk s ASP 64 Cb 0.00 -0.89 -0.04 0.00 -1.46 0.00 0.00 42.92 40.53 1ghk s ASP 64 CO 0.00 -1.47 -0.08 -0.89 0.52 0.00 0.00 175.17 173.25 1ghk s THR 65 N -3.06 3.50 0.27 1.71 2.01 -1.26 -1.25 115.64 117.56 1ghk s THR 65 Ca 0.60 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 61.61 1ghk s THR 65 Cb -0.10 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 1ghk s THR 65 CO 0.42 0.26 0.09 1.33 -0.69 0.00 0.00 174.62 176.03 1ghk n VAL 66 N 1.15 0.00 -4.41 3.82 0.24 -0.76 -4.97 118.33 113.41 1ghk n VAL 66 Ca -0.14 -1.55 -0.28 0.00 -2.04 0.00 0.00 64.34 60.32 1ghk n VAL 66 Cb 0.52 0.53 -0.07 0.00 -1.47 0.00 0.00 33.84 33.35 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 2.74 0.09 1.34 1.02 -1.26 -3.59 118.68 119.02 1ghk s LEU 67 Ca 0.12 -1.35 -0.31 0.00 0.02 0.00 0.00 54.13 52.61 1ghk s LEU 67 Cb 0.01 -1.05 -0.09 0.00 0.02 0.00 0.00 46.19 45.07 1ghk s LEU 67 CO 0.09 -0.70 1.68 -0.55 0.02 0.00 0.00 176.35 176.88 1ghk s SER 68 N -3.91 6.56 0.00 2.29 0.15 -1.26 -1.70 113.70 115.84 1ghk s SER 68 Ca 0.28 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.48 1ghk s SER 68 Cb 0.04 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1ghk s SER 68 CO 0.15 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1ghk n GLY 69 N 4.01 0.60 3.60 9.45 0.00 -1.26 -5.01 105.19 116.58 1ghk n GLY 69 Ca 0.16 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.28 3.80 -0.02 1.61 2.56 -0.69 -4.77 118.70 119.92 1ghk s GLU 70 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 54.97 55.28 1ghk s GLU 70 Cb 0.00 -3.84 -0.03 0.00 2.00 0.00 0.00 34.13 32.26 1ghk s GLU 70 CO 0.00 -1.11 1.06 -1.17 -0.56 0.00 0.00 175.26 173.48 1ghk s LEU 71 N 3.85 4.33 0.00 2.70 0.20 -1.26 -1.20 118.68 127.30 1ghk s LEU 71 Ca 0.42 1.72 0.00 0.00 0.69 0.00 0.00 54.13 56.97 1ghk s LEU 71 Cb -0.10 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.09 1ghk s LEU 71 CO 0.23 -0.38 0.00 0.18 -0.29 0.00 0.00 176.35 176.09 1ghk n LEU 72 N 4.31 0.02 -4.36 -0.68 4.77 -0.75 -4.70 117.00 115.61 1ghk n LEU 72 Ca 0.08 0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.94 1ghk n LEU 72 Cb 0.49 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 1ghk n LEU 72 CO 0.53 -0.47 -0.37 -0.83 -1.33 0.00 0.00 177.39 174.91 1ghk s GLY 73 N -2.76 1.59 0.07 -0.72 0.00 -1.24 0.32 107.32 104.58 1ghk s GLY 73 Ca 0.00 -1.77 0.07 0.00 0.00 0.00 0.00 44.72 43.02 1ghk s GLY 73 CO 0.00 -1.75 -0.19 -1.59 0.00 0.00 0.00 173.10 169.57 1ghk s LYS 74 N -3.76 1.13 0.54 2.90 -2.85 -1.25 -2.17 119.74 114.29 1ghk s LYS 74 Ca 0.26 -1.02 -0.02 0.00 -1.00 0.00 0.00 55.97 54.20 1ghk s LYS 74 Cb 0.03 -1.29 0.02 0.00 -2.06 0.00 0.00 37.83 34.53 1ghk s LYS 74 CO 0.09 0.31 0.79 -1.17 0.10 0.00 0.00 175.35 175.47 1ghk s LEU 75 N -1.58 3.36 0.00 2.77 0.20 -0.90 -0.35 118.68 122.18 1ghk s LEU 75 Ca 0.05 0.35 0.00 0.00 0.69 0.00 0.00 54.13 55.22 1ghk s LEU 75 Cb -0.09 -3.19 0.00 0.00 -0.43 0.00 0.00 46.19 42.48 1ghk s LEU 75 CO 0.03 -1.00 0.00 1.07 -0.29 0.00 0.00 176.35 176.16 1ghk n THR 76 N -2.37 0.00 -1.85 3.68 5.66 -0.23 -4.48 114.28 114.69 1ghk n THR 76 Ca 0.04 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.74 1ghk n THR 76 Cb 0.58 -1.19 0.04 0.00 -1.55 0.00 0.00 70.33 68.22 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 1.51 3.02 0.00 1.09 0.41 -1.26 -4.43 118.70 119.04 1ghk s GLU 77 Ca 0.00 0.56 0.00 0.00 -0.41 0.00 0.00 54.97 55.12 1ghk s GLU 77 Cb 0.00 -2.03 0.00 0.00 -1.78 0.00 0.00 34.13 30.32 1ghk s GLU 77 CO 0.00 -0.94 0.00 0.41 -0.49 0.00 0.00 175.26 174.24 1ghk n GLY 78 N -2.86 2.90 0.00 -1.39 0.00 -1.26 -4.72 105.19 97.86 1ghk n GLY 78 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93