#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 -0.17 0.05 0.00 1.01 -1.08 -5.01 121.20 116.00 1ghk s ILE 2 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 60.65 59.92 1ghk s ILE 2 Cb 0.00 -0.80 -0.07 0.00 0.01 0.00 0.00 42.46 41.59 1ghk s ILE 2 CO 0.00 -0.46 1.52 -0.62 0.00 0.00 0.00 174.94 175.37 1ghk s ASP 3 N 2.19 6.73 -0.25 3.58 -1.08 -1.26 -2.01 116.67 124.57 1ghk s ASP 3 Ca 0.07 2.32 -0.08 0.00 -0.52 0.00 0.00 52.55 54.34 1ghk s ASP 3 Cb -0.16 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 1ghk s ASP 3 CO -0.24 -0.79 0.10 -0.63 0.52 0.00 0.00 175.17 174.13 1ghk s ILE 4 N 2.30 4.57 0.32 4.11 -1.09 -0.59 -4.94 121.20 125.87 1ghk s ILE 4 Ca 0.69 -0.09 0.04 0.00 -2.23 0.00 0.00 60.65 59.06 1ghk s ILE 4 Cb -0.36 -3.14 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1ghk s ILE 4 CO 0.30 0.33 0.19 -1.59 -1.23 0.00 0.00 174.94 172.94 1ghk s LYS 5 N 1.57 1.66 0.57 2.79 -2.85 -1.26 -2.23 119.74 119.99 1ghk s LYS 5 Ca 0.06 -1.96 -0.13 0.00 -1.00 0.00 0.00 55.97 52.94 1ghk s LYS 5 Cb -0.15 0.01 -0.06 0.00 -2.06 0.00 0.00 37.83 35.58 1ghk s LYS 5 CO 0.05 -0.52 1.00 0.00 0.10 0.00 0.00 175.35 175.98 1ghk s ALA 6 N -3.55 3.11 0.58 0.59 0.00 -0.71 -4.90 121.76 116.88 1ghk s ALA 6 Ca 0.36 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.17 1ghk s ALA 6 Cb 0.04 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1ghk s ALA 6 CO 0.20 -0.49 1.02 -1.25 0.00 0.00 0.00 175.76 175.24 1ghk s PRO 7 N -4.71 3.60 -0.09 0.00 0.04 -1.26 -3.49 135.00 129.09 1ghk s PRO 7 Ca 0.56 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 1ghk s PRO 7 Cb -0.11 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1ghk s PRO 7 CO 0.45 -0.56 1.59 0.99 0.04 0.00 0.00 177.00 179.50 1ghk s THR 8 N -2.75 3.70 0.60 1.26 2.01 -1.26 -4.33 115.64 114.87 1ghk s THR 8 Ca 0.59 0.84 -0.16 0.00 0.31 0.00 0.00 61.69 63.28 1ghk s THR 8 Cb -0.12 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1ghk s THR 8 CO 0.40 -0.10 1.06 -0.36 -0.69 0.00 0.00 174.62 174.93 1ghk s PHE 9 N 4.11 2.96 0.41 4.92 0.08 -1.26 -5.05 117.98 124.15 1ghk s PHE 9 Ca 0.70 1.51 -0.07 0.00 0.12 0.00 0.00 56.93 59.20 1ghk s PHE 9 Cb -0.30 -3.02 0.10 0.00 -0.57 0.00 0.00 43.02 39.22 1ghk s PHE 9 CO 0.27 -1.16 0.52 -0.35 -0.10 0.00 0.00 175.22 174.40 1ghk n PRO 10 N -2.03 -0.77 -0.03 0.24 -0.04 -1.26 -4.96 135.00 126.14 1ghk n PRO 10 Ca 0.09 -0.80 -0.14 0.00 -0.04 0.00 0.00 63.50 62.61 1ghk n PRO 10 Cb 0.53 -0.57 -0.11 0.00 -0.04 0.00 0.00 33.50 33.31 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 0.05 -1.56 0.54 3.07 -2.02 -3.07 114.58 111.59 1ghk h GLU 11 Ca -0.17 -0.04 0.45 0.00 -0.50 0.00 0.00 59.36 59.10 1ghk h GLU 11 Cb 0.48 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.34 1ghk h GLU 11 CO 0.12 0.70 1.20 1.03 -1.40 0.00 0.00 179.01 180.66 1ghk h SER 12 N -0.58 0.00 -4.20 1.42 0.87 -2.04 -3.37 113.55 105.65 1ghk h SER 12 Ca -0.00 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.89 1ghk h SER 12 Cb 0.71 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.41 1ghk h SER 12 CO 0.01 0.00 -0.87 -0.63 -0.53 0.00 0.00 176.83 174.81 1ghk s ILE 13 N -4.81 2.05 -0.80 2.23 1.01 -1.16 -5.01 121.20 114.71 1ghk s ILE 13 Ca -0.05 -1.45 0.07 0.00 0.00 0.00 0.00 60.65 59.22 1ghk s ILE 13 Cb 0.23 -1.78 0.08 0.00 0.01 0.00 0.00 42.46 41.00 1ghk s ILE 13 CO 0.79 0.25 0.79 0.00 0.00 0.00 0.00 174.94 176.77 1ghk n ALA 14 N 1.56 2.42 -3.14 9.38 0.00 -1.26 -4.29 120.51 125.17 1ghk n ALA 14 Ca -0.17 -0.65 0.03 0.00 0.00 0.00 0.00 53.44 52.65 1ghk n ALA 14 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 0.34 -0.16 -0.74 0.00 5.68 -1.26 -4.75 116.55 115.65 1ghk n ASP 15 Ca 0.05 -1.02 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 1ghk n ASP 15 Cb 0.20 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.14 2.63 3.13 6.12 0.00 -1.04 -4.74 105.19 111.15 1ghk n GLY 16 Ca 0.01 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.77 -0.03 1.02 2.61 2.01 -0.76 -1.93 115.64 115.78 1ghk s THR 17 Ca 0.00 0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 1ghk s THR 17 Cb 0.00 -0.45 -0.08 0.00 0.01 0.00 0.00 72.50 71.98 1ghk s THR 17 CO 0.00 0.05 -0.68 0.52 -0.69 0.00 0.00 174.62 173.82 1ghk n VAL 18 N 4.13 0.00 0.00 3.82 0.31 -0.76 -0.64 118.33 125.19 1ghk n VAL 18 Ca -0.24 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1ghk n VAL 18 Cb 0.54 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 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 -3.39 1.89 -3.64 3.52 0.00 -0.24 -3.91 120.51 114.74 1ghk n ALA 19 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1ghk n ALA 19 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.69 0.00 -1.16 0.00 2.01 -1.24 -4.46 115.64 110.10 1ghk s THR 20 Ca 0.00 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 1ghk s THR 20 Cb 0.00 -1.00 0.17 0.00 0.01 0.00 0.00 72.50 71.68 1ghk s THR 20 CO 0.00 0.00 1.38 0.26 -0.69 0.00 0.00 174.62 175.57 1ghk s TRP 21 N 1.36 3.45 0.12 4.92 0.52 -1.26 -3.08 118.94 124.98 1ghk s TRP 21 Ca -0.08 -2.03 -0.27 0.00 0.02 0.00 0.00 56.10 53.74 1ghk s TRP 21 Cb -0.05 -4.30 -0.08 0.00 -1.15 0.00 0.00 33.47 27.89 1ghk s TRP 21 CO -0.15 -1.40 1.46 0.45 0.02 0.00 0.00 176.95 177.32 1ghk h HIS 22 N 7.41 -1.53 -5.57 -1.98 3.86 -1.97 -3.41 115.15 111.96 1ghk h HIS 22 Ca 0.29 0.09 -0.36 0.00 -1.16 0.00 0.00 60.37 59.23 1ghk h HIS 22 Cb 0.90 0.75 0.04 0.00 1.06 0.00 0.00 27.41 30.15 1ghk h HIS 22 CO 1.11 -0.36 0.01 1.63 0.86 0.00 0.00 177.93 181.17 1ghk n LYS 23 N -4.93 0.44 -4.57 2.45 5.02 -1.26 -5.13 118.16 110.18 1ghk n LYS 23 Ca -0.01 -2.25 -0.26 0.00 -2.02 0.00 0.00 58.31 53.77 1ghk n LYS 23 Cb 0.25 -0.32 -0.11 0.00 -0.02 0.00 0.00 35.03 34.84 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 -4.19 1.86 -0.98 1.97 3.01 -1.26 -5.04 119.74 115.11 1ghk s LYS 24 Ca 0.48 -2.01 -0.24 0.00 -1.01 0.00 0.00 55.97 53.20 1ghk s LYS 24 Cb -0.03 -1.58 0.02 0.00 -1.01 0.00 0.00 37.83 35.23 1ghk s LYS 24 CO 0.31 0.02 1.59 -1.25 0.51 0.00 0.00 175.35 176.53 1ghk s PRO 25 N -3.69 3.28 0.00 -1.68 0.04 -1.26 -3.83 135.00 127.86 1ghk s PRO 25 Ca 0.34 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.52 1ghk s PRO 25 Cb 0.07 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.36 1ghk s PRO 25 CO 0.17 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 175.07 1ghk n GLY 26 N 6.85 0.07 1.11 0.56 0.00 -1.26 -4.64 105.19 107.89 1ghk n GLY 26 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.30 1ghk n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ghk n GLU 27 N 0.00 0.19 -3.24 1.61 -0.00 -1.25 -4.97 120.64 112.98 1ghk n GLU 27 Ca 0.00 -1.16 -0.39 0.00 -0.00 0.00 0.00 57.16 55.62 1ghk n GLU 27 Cb 0.00 0.93 -0.06 0.00 -0.00 0.00 0.00 31.44 32.31 1ghk n GLU 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ghk s ALA 28 N -2.46 3.46 0.15 -1.84 0.00 -1.26 -4.41 121.76 115.40 1ghk s ALA 28 Ca 0.13 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.00 1ghk s ALA 28 Cb 0.01 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1ghk s ALA 28 CO 0.09 -0.11 -0.16 0.54 0.00 0.00 0.00 175.76 176.12 1ghk s VAL 29 N 0.88 1.59 -0.03 0.00 0.11 -1.24 -5.06 120.40 116.65 1ghk s VAL 29 Ca 0.28 -1.84 0.01 0.00 -2.93 0.00 0.00 61.98 57.51 1ghk s VAL 29 Cb -0.16 -1.71 0.01 0.00 -1.53 0.00 0.00 36.38 32.99 1ghk s VAL 29 CO 0.12 -0.37 -0.05 -0.75 -3.33 0.00 0.00 175.10 170.71 1ghk s LYS 30 N -2.78 0.71 0.32 1.54 2.47 -1.26 -3.74 119.74 117.00 1ghk s LYS 30 Ca 0.13 -0.15 -0.25 0.00 -1.56 0.00 0.00 55.97 54.14 1ghk s LYS 30 Cb -0.05 -0.71 -0.15 0.00 -1.46 0.00 0.00 37.83 35.46 1ghk s LYS 30 CO 0.05 0.01 0.47 -2.13 0.16 0.00 0.00 175.35 173.90 1ghk n ARG 31 N 3.60 0.30 -2.68 4.03 0.63 -1.26 -2.55 116.66 118.74 1ghk n ARG 31 Ca -0.21 0.11 -0.05 0.00 -0.92 0.00 0.00 57.85 56.78 1ghk n ARG 31 Cb 0.53 -1.23 0.02 0.00 0.45 0.00 0.00 32.46 32.23 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 -2.83 -3.68 6.15 2.03 -0.93 -4.96 116.55 114.14 1ghk n ASP 32 Ca 0.14 -0.12 -0.18 0.00 0.52 0.00 0.00 54.79 55.15 1ghk n ASP 32 Cb 0.34 -1.52 -0.16 0.00 -0.72 0.00 0.00 41.12 39.05 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 -5.14 -0.01 0.81 -0.67 2.12 -1.06 -4.98 118.70 109.77 1ghk s GLU 33 Ca 0.11 0.44 -0.17 0.00 0.36 0.00 0.00 54.97 55.72 1ghk s GLU 33 Cb -0.05 -0.35 -0.12 0.00 0.26 0.00 0.00 34.13 33.87 1ghk s GLU 33 CO 0.16 -0.29 -0.29 -0.11 -0.54 0.00 0.00 175.26 174.19 1ghk n LEU 34 N 5.12 -3.77 0.00 2.70 7.94 -1.26 -2.10 117.00 125.63 1ghk n LEU 34 Ca -0.08 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 1ghk n LEU 34 Cb 0.50 -0.90 0.00 0.00 0.53 0.00 0.00 43.42 43.55 1ghk n LEU 34 CO 0.08 -5.01 0.00 -0.38 -1.11 0.00 0.00 177.39 170.96 1ghk n ILE 35 N -2.29 0.00 -3.61 1.96 2.08 0.66 -4.64 119.36 113.52 1ghk n ILE 35 Ca 0.04 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.20 1ghk n ILE 35 Cb 0.52 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.34 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 -1.00 0.00 0.01 1.39 0.11 -0.87 -3.81 120.40 116.24 1ghk s VAL 36 Ca 0.00 -0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 1ghk s VAL 36 Cb 0.00 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1ghk s VAL 36 CO 0.00 -0.00 0.07 -1.81 -3.33 0.00 0.00 175.10 170.03 1ghk s ASP 37 N 0.07 5.59 -0.04 3.54 1.11 -1.18 -0.34 116.67 125.43 1ghk s ASP 37 Ca -0.02 0.10 -0.00 0.00 0.18 0.00 0.00 52.55 52.80 1ghk s ASP 37 Cb -0.04 -1.57 -0.03 0.00 1.07 0.00 0.00 42.92 42.34 1ghk s ASP 37 CO 0.03 0.25 0.01 -0.63 1.18 0.00 0.00 175.17 176.01 1ghk s ILE 38 N -1.23 4.28 -0.18 0.77 1.01 -0.67 -1.08 121.20 124.10 1ghk s ILE 38 Ca 0.24 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1ghk s ILE 38 Cb -0.12 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1ghk s ILE 38 CO 0.15 0.49 0.04 -0.70 0.00 0.00 0.00 174.94 174.92 1ghk s GLU 39 N -1.24 3.87 0.43 2.79 2.12 0.19 -1.87 118.70 124.98 1ghk s GLU 39 Ca 0.17 -0.40 0.06 0.00 0.36 0.00 0.00 54.97 55.16 1ghk s GLU 39 Cb -0.11 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 1ghk s GLU 39 CO 0.07 0.23 0.14 0.99 -0.54 0.00 0.00 175.26 176.15 1ghk s THR 40 N 0.46 2.05 0.24 -1.70 2.01 -0.57 -1.83 115.64 116.30 1ghk s THR 40 Ca 0.01 -1.79 -0.13 0.00 0.31 0.00 0.00 61.69 60.09 1ghk s THR 40 Cb -0.13 -2.84 0.31 0.00 0.01 0.00 0.00 72.50 69.85 1ghk s THR 40 CO 0.01 0.00 1.58 -0.78 -0.69 0.00 0.00 174.62 174.74 1ghk h ASP 41 N 1.45 -0.96 -0.02 3.53 3.58 -1.99 -3.26 116.42 118.74 1ghk h ASP 41 Ca -0.43 0.26 -0.16 0.00 0.42 0.00 0.00 57.03 57.12 1ghk h ASP 41 Cb 1.26 0.58 -0.28 0.00 1.72 0.00 0.00 39.33 42.60 1ghk h ASP 41 CO 0.72 -0.29 -0.73 0.29 -2.88 0.00 0.00 179.24 176.36 1ghk n LYS 42 N -5.52 0.10 -3.84 0.28 4.76 -1.26 -5.09 118.16 107.59 1ghk n LYS 42 Ca 0.11 -1.65 -0.14 0.00 -2.87 0.00 0.00 58.31 53.76 1ghk n LYS 42 Cb 0.41 0.15 -0.15 0.00 -1.84 0.00 0.00 35.03 33.60 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 -0.14 0.01 -0.13 -0.18 1.01 -1.23 -5.14 120.40 114.60 1ghk s VAL 43 Ca 0.20 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 1ghk s VAL 43 Cb 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.49 1ghk s VAL 43 CO -0.10 0.06 0.19 0.54 0.00 0.00 0.00 175.10 175.79 1ghk s VAL 44 N 0.58 5.41 0.30 2.92 0.11 -1.26 -1.51 120.40 126.95 1ghk s VAL 44 Ca -0.05 0.32 0.06 0.00 -2.93 0.00 0.00 61.98 59.38 1ghk s VAL 44 Cb -0.07 -3.48 -0.06 0.00 -1.53 0.00 0.00 36.38 31.24 1ghk s VAL 44 CO -0.02 0.55 -0.04 -0.04 -3.33 0.00 0.00 175.10 172.23 1ghk s MET 45 N -0.59 1.61 0.20 1.54 -1.94 -0.78 -4.99 119.30 114.35 1ghk s MET 45 Ca 0.15 -1.84 0.05 0.00 -1.71 0.00 0.00 55.69 52.35 1ghk s MET 45 Cb -0.12 -1.19 -0.05 0.00 2.01 0.00 0.00 34.83 35.47 1ghk s MET 45 CO 0.04 0.01 -0.09 -1.83 -0.01 0.00 0.00 175.02 173.14 1ghk s GLU 46 N -3.74 1.27 -0.19 2.03 -1.05 -1.26 -1.66 118.70 114.09 1ghk s GLU 46 Ca 0.31 -1.59 -0.05 0.00 -0.15 0.00 0.00 54.97 53.50 1ghk s GLU 46 Cb 0.05 -0.84 0.07 0.00 -0.44 0.00 0.00 34.13 32.97 1ghk s GLU 46 CO 0.13 0.06 0.11 0.08 0.95 0.00 0.00 175.26 176.60 1ghk s VAL 47 N -3.20 -0.12 0.17 1.83 1.01 0.54 -4.82 120.40 115.81 1ghk s VAL 47 Ca 0.23 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1ghk s VAL 47 Cb 0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1ghk s VAL 47 CO 0.06 -0.32 0.21 -1.48 0.00 0.00 0.00 175.10 173.57 1ghk s LEU 48 N 2.16 4.05 0.41 3.92 0.05 -1.26 -0.24 118.68 127.77 1ghk s LEU 48 Ca 0.03 -0.01 -0.25 0.00 0.05 0.00 0.00 54.13 53.96 1ghk s LEU 48 Cb -0.16 -2.63 -0.08 0.00 -2.05 0.00 0.00 46.19 41.27 1ghk s LEU 48 CO -0.12 0.04 1.16 0.00 -0.55 0.00 0.00 176.35 176.88 1ghk s ALA 49 N -1.80 3.10 -1.62 1.48 0.00 -0.89 -4.88 121.76 117.16 1ghk s ALA 49 Ca 0.33 0.94 0.20 0.00 0.00 0.00 0.00 51.96 53.43 1ghk s ALA 49 Cb -0.10 -3.37 0.62 0.00 0.00 0.00 0.00 23.12 20.26 1ghk s ALA 49 CO 0.26 -0.54 1.52 0.39 0.00 0.00 0.00 175.76 177.39 1ghk n GLU 50 N -0.08 2.98 -3.65 0.00 1.02 -1.26 -2.19 120.64 117.47 1ghk n GLU 50 Ca 0.05 -2.65 -0.02 0.00 -0.02 0.00 0.00 57.16 54.53 1ghk n GLU 50 Cb 0.47 -1.61 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ghk s ALA 51 N -1.22 -2.31 1.22 0.62 0.00 -1.26 -4.87 121.76 113.94 1ghk s ALA 51 Ca 0.46 1.73 -0.15 0.00 0.00 0.00 0.00 51.96 54.01 1ghk s ALA 51 Cb 0.26 -1.82 0.28 0.00 0.00 0.00 0.00 23.12 21.84 1ghk s ALA 51 CO 0.29 -0.14 0.82 -3.47 0.00 0.00 0.00 175.76 173.26 1ghk n ASP 52 N 1.86 -2.23 0.00 0.00 2.03 -1.26 -4.48 116.55 112.46 1ghk n ASP 52 Ca -0.12 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 54.92 1ghk n ASP 52 Cb 0.57 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 1ghk n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ghk n GLY 53 N 1.34 0.51 2.97 0.27 0.00 -1.25 -4.45 105.19 104.58 1ghk n GLY 53 Ca 0.03 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.83 1.10 1.07 1.61 1.01 -1.22 -3.64 120.40 117.50 1ghk s VAL 54 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1ghk s VAL 54 Cb 0.00 -1.06 0.22 0.00 0.00 0.00 0.00 36.38 35.54 1ghk s VAL 54 CO 0.00 0.36 1.01 -0.38 0.00 0.00 0.00 175.10 176.09 1ghk n ILE 55 N 4.38 0.00 -0.03 2.22 5.41 -1.26 -1.90 119.36 128.18 1ghk n ILE 55 Ca -0.18 -0.26 -0.03 0.00 1.00 0.00 0.00 62.75 63.28 1ghk n ILE 55 Cb 0.51 -0.97 -0.01 0.00 -0.71 0.00 0.00 39.64 38.46 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 -4.65 0.80 -3.64 -1.39 0.00 0.43 -3.99 120.51 108.07 1ghk n ALA 56 Ca 0.07 -0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 1ghk n ALA 56 Cb 0.53 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.69 0.51 -0.25 0.00 2.56 -1.26 -4.67 118.70 113.90 1ghk s GLU 57 Ca -0.09 0.63 -0.15 0.00 0.00 0.00 0.00 54.97 55.35 1ghk s GLU 57 Cb 0.01 0.24 -0.04 0.00 2.00 0.00 0.00 34.13 36.34 1ghk s GLU 57 CO 0.14 -0.06 0.39 0.42 -0.56 0.00 0.00 175.26 175.58 1ghk s ILE 58 N 0.34 5.18 -0.08 -3.70 -1.09 -1.26 -3.94 121.20 116.64 1ghk s ILE 58 Ca 0.02 0.63 0.14 0.00 -2.23 0.00 0.00 60.65 59.22 1ghk s ILE 58 Cb -0.05 -3.71 -0.18 0.00 -1.58 0.00 0.00 42.46 36.93 1ghk s ILE 58 CO -0.07 0.18 0.75 0.58 -1.23 0.00 0.00 174.94 175.16 1ghk h VAL 59 N 5.27 0.69 -3.25 2.92 2.07 -1.70 -3.46 116.25 118.80 1ghk h VAL 59 Ca -0.33 -2.37 -0.58 0.00 0.82 0.00 0.00 66.70 64.24 1ghk h VAL 59 Cb 1.16 2.24 -0.06 0.00 -1.52 0.00 0.00 31.29 33.11 1ghk h VAL 59 CO 0.67 0.39 -0.11 -0.54 0.02 0.00 0.00 177.57 178.01 1ghk s LYS 60 N -2.75 4.24 0.37 1.57 3.01 -1.25 -5.08 119.74 119.84 1ghk s LYS 60 Ca -0.04 0.55 0.06 0.00 -1.01 0.00 0.00 55.97 55.52 1ghk s LYS 60 Cb 0.08 -3.35 -0.00 0.00 -1.01 0.00 0.00 37.83 33.55 1ghk s LYS 60 CO 0.82 0.36 0.52 -0.80 0.51 0.00 0.00 175.35 176.76 1ghk s ASN 61 N -0.09 5.89 0.34 2.83 -0.87 -1.26 -5.04 114.94 116.75 1ghk s ASN 61 Ca 0.27 -0.13 -0.28 0.00 -1.57 0.00 0.00 52.86 51.15 1ghk s ASN 61 Cb -0.17 -1.21 -0.10 0.00 -0.02 0.00 0.00 41.25 39.76 1ghk s ASN 61 CO 0.14 -0.53 1.24 -1.61 -2.57 0.00 0.00 177.10 173.76 1ghk s GLU 62 N -4.27 4.30 0.00 -0.60 2.02 -1.26 -2.57 118.70 116.32 1ghk s GLU 62 Ca 0.47 2.06 0.00 0.00 0.02 0.00 0.00 54.97 57.52 1ghk s GLU 62 Cb -0.10 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1ghk s GLU 62 CO 0.33 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.84 1ghk n GLY 63 N 0.82 0.46 3.98 -1.39 0.00 -1.25 -4.99 105.19 102.82 1ghk n GLY 63 Ca 0.01 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.48 5.46 -0.04 1.61 2.15 -1.06 -4.88 116.67 117.42 1ghk s ASP 64 Ca 0.00 -0.54 -0.09 0.00 0.43 0.00 0.00 52.55 52.35 1ghk s ASP 64 Cb 0.00 -0.54 -0.05 0.00 -0.30 0.00 0.00 42.92 42.03 1ghk s ASP 64 CO 0.00 -0.79 0.26 -0.89 -0.17 0.00 0.00 175.17 173.58 1ghk s THR 65 N -2.41 5.31 -0.02 1.71 2.01 -1.26 -1.83 115.64 119.15 1ghk s THR 65 Ca 0.54 0.36 0.05 0.00 0.31 0.00 0.00 61.69 62.94 1ghk s THR 65 Cb -0.08 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1ghk s THR 65 CO 0.32 0.51 -0.17 0.68 -0.69 0.00 0.00 174.62 175.28 1ghk s VAL 66 N -1.15 1.33 0.39 3.82 -7.23 -0.81 -4.90 120.40 111.86 1ghk s VAL 66 Ca 0.22 -0.71 0.06 0.00 -1.81 0.00 0.00 61.98 59.74 1ghk s VAL 66 Cb -0.14 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.69 1ghk s VAL 66 CO 0.11 0.38 0.55 -0.22 -0.31 0.00 0.00 175.10 175.61 1ghk s LEU 67 N -0.30 3.77 0.15 1.32 2.96 -1.26 -2.51 118.68 122.81 1ghk s LEU 67 Ca 0.04 -0.24 -0.33 0.00 -0.22 0.00 0.00 54.13 53.38 1ghk s LEU 67 Cb -0.07 -2.75 -0.13 0.00 0.50 0.00 0.00 46.19 43.74 1ghk s LEU 67 CO -0.00 -0.64 1.67 -0.24 -1.32 0.00 0.00 176.35 175.82 1ghk n SER 68 N -1.81 3.50 -0.60 3.68 2.88 -1.26 -0.69 113.62 119.32 1ghk n SER 68 Ca 0.04 1.06 -0.07 0.00 -1.33 0.00 0.00 58.87 58.57 1ghk n SER 68 Cb 0.59 -1.48 -0.02 0.00 -0.75 0.00 0.00 64.21 62.54 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 3.74 0.63 3.66 0.46 0.00 -1.23 -4.97 105.19 107.48 1ghk n GLY 69 Ca 0.17 -0.70 -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 -3.16 4.21 0.30 1.61 2.56 0.14 -4.75 118.70 119.61 1ghk s GLU 70 Ca 0.00 1.35 -0.29 0.00 0.00 0.00 0.00 54.97 56.03 1ghk s GLU 70 Cb 0.00 -3.68 -0.10 0.00 2.00 0.00 0.00 34.13 32.35 1ghk s GLU 70 CO 0.00 -0.70 1.32 -1.17 -0.56 0.00 0.00 175.26 174.15 1ghk s LEU 71 N 3.36 4.42 -0.01 2.70 0.20 -1.26 -1.74 118.68 126.35 1ghk s LEU 71 Ca 0.46 2.62 0.01 0.00 0.69 0.00 0.00 54.13 57.92 1ghk s LEU 71 Cb -0.16 -3.64 -0.02 0.00 -0.43 0.00 0.00 46.19 41.95 1ghk s LEU 71 CO 0.09 -0.54 0.02 0.18 -0.29 0.00 0.00 176.35 175.81 1ghk n LEU 72 N 1.35 0.00 -3.61 -0.68 4.77 -0.95 -4.59 117.00 113.29 1ghk n LEU 72 Ca 0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 1ghk n LEU 72 Cb 0.42 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1ghk n LEU 72 CO 0.59 0.01 1.07 -0.83 -1.33 0.00 0.00 177.39 176.90 1ghk s GLY 73 N -2.63 -0.25 -0.07 -0.72 0.00 -1.15 -1.94 107.32 100.57 1ghk s GLY 73 Ca -0.01 1.74 0.05 0.00 0.00 0.00 0.00 44.72 46.50 1ghk s GLY 73 CO 0.05 0.59 -0.22 0.54 0.00 0.00 0.00 173.10 174.06 1ghk s LYS 74 N -2.25 2.41 0.16 2.90 1.02 -1.25 -1.54 119.74 121.19 1ghk s LYS 74 Ca 0.10 -0.78 -0.10 0.00 0.02 0.00 0.00 55.97 55.21 1ghk s LYS 74 Cb -0.01 -1.98 -0.07 0.00 -0.52 0.00 0.00 37.83 35.26 1ghk s LYS 74 CO -0.04 0.26 0.49 -1.17 -0.92 0.00 0.00 175.35 173.97 1ghk s LEU 75 N 0.10 4.27 0.00 3.17 2.96 -0.85 -0.43 118.68 127.89 1ghk s LEU 75 Ca -0.09 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 1ghk s LEU 75 Cb -0.15 -3.36 0.00 0.00 0.50 0.00 0.00 46.19 43.18 1ghk s LEU 75 CO 0.05 0.05 0.00 1.07 -1.32 0.00 0.00 176.35 176.19 1ghk n THR 76 N 0.38 0.00 -2.02 3.68 5.66 -0.80 -2.64 114.28 118.54 1ghk n THR 76 Ca -0.03 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.68 1ghk n THR 76 Cb 0.52 -0.87 0.17 0.00 -1.55 0.00 0.00 70.33 68.60 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 2.86 0.90 -0.12 1.09 0.41 -1.26 -4.54 118.70 118.04 1ghk s GLU 77 Ca 0.00 -0.45 -0.25 0.00 -0.41 0.00 0.00 54.97 53.85 1ghk s GLU 77 Cb 0.00 -1.92 -0.22 0.00 -1.78 0.00 0.00 34.13 30.21 1ghk s GLU 77 CO 0.00 -2.21 0.75 0.78 -0.49 0.00 0.00 175.26 174.09 1ghk h GLY 78 N -1.44 -0.01 0.00 -1.39 0.00 -1.95 -3.24 103.07 95.04 1ghk h GLY 78 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1ghk h GLY 78 CO 0.41 -0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.55