#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 0.54 -0.07 0.00 -4.36 -1.26 -5.00 121.20 111.05 1ghk s ILE 2 Ca 0.00 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 1ghk s ILE 2 Cb 0.00 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 41.26 1ghk s ILE 2 CO 0.00 0.00 -0.20 -0.62 0.24 0.00 0.00 174.94 174.36 1ghk s ASP 3 N -3.52 3.48 -1.10 4.36 2.15 -1.26 -2.02 116.67 118.75 1ghk s ASP 3 Ca 0.29 -0.40 -0.06 0.00 0.43 0.00 0.00 52.55 52.82 1ghk s ASP 3 Cb 0.04 -0.94 0.29 0.00 -0.30 0.00 0.00 42.92 42.01 1ghk s ASP 3 CO 0.16 0.26 1.39 -0.38 -0.17 0.00 0.00 175.17 176.44 1ghk n ILE 4 N 2.85 5.08 -4.09 4.11 5.41 -0.44 -4.98 119.36 127.30 1ghk n ILE 4 Ca -0.17 -5.71 -0.22 0.00 1.00 0.00 0.00 62.75 57.64 1ghk n ILE 4 Cb 0.52 -2.24 -0.04 0.00 -0.71 0.00 0.00 39.64 37.17 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 -2.20 3.02 0.41 0.38 -2.85 -1.26 -2.27 119.74 114.97 1ghk s LYS 5 Ca 0.31 -0.98 -0.23 0.00 -1.00 0.00 0.00 55.97 54.08 1ghk s LYS 5 Cb 0.01 -2.63 -0.10 0.00 -2.06 0.00 0.00 37.83 33.05 1ghk s LYS 5 CO 0.05 0.42 1.00 0.00 0.10 0.00 0.00 175.35 176.91 1ghk s ALA 6 N -2.06 3.05 0.66 0.59 0.00 -0.95 -4.95 121.76 118.10 1ghk s ALA 6 Ca 0.33 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 1ghk s ALA 6 Cb -0.08 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1ghk s ALA 6 CO 0.25 -0.06 1.05 -1.25 0.00 0.00 0.00 175.76 175.76 1ghk s PRO 7 N -2.77 3.23 -0.94 0.00 0.04 -1.26 -3.37 135.00 129.93 1ghk s PRO 7 Ca 0.60 0.77 -0.24 0.00 0.04 0.00 0.00 61.00 62.16 1ghk s PRO 7 Cb -0.16 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1ghk s PRO 7 CO 0.21 -0.84 1.86 0.99 0.04 0.00 0.00 177.00 179.25 1ghk s THR 8 N -3.16 3.54 0.47 1.26 2.01 -1.26 -4.43 115.64 114.08 1ghk s THR 8 Ca 0.57 -0.48 -0.20 0.00 0.31 0.00 0.00 61.69 61.88 1ghk s THR 8 Cb -0.12 -4.23 -0.13 0.00 0.01 0.00 0.00 72.50 68.03 1ghk s THR 8 CO 0.54 -1.13 0.28 0.49 -0.69 0.00 0.00 174.62 174.11 1ghk n PHE 9 N 13.08 -1.47 0.00 4.92 3.72 -1.26 -4.96 117.46 131.48 1ghk n PHE 9 Ca 0.39 0.53 0.00 0.00 -0.05 0.00 0.00 57.45 58.33 1ghk n PHE 9 Cb 0.48 -1.86 0.00 0.00 -0.94 0.00 0.00 39.48 37.15 1ghk n PHE 9 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1ghk n PRO 10 N 0.82 1.01 0.01 -1.08 -0.04 -1.24 -4.95 135.00 129.53 1ghk n PRO 10 Ca 0.11 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.52 1ghk n PRO 10 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.15 -0.78 0.54 4.81 -2.03 -3.35 114.58 113.63 1ghk h GLU 11 Ca 0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.35 1ghk h GLU 11 Cb 0.00 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 29.28 1ghk h GLU 11 CO 0.00 0.04 -0.42 1.03 -0.73 0.00 0.00 179.01 178.93 1ghk h SER 12 N -1.02 -1.50 -3.24 1.04 0.87 -2.03 -3.36 113.55 104.30 1ghk h SER 12 Ca -0.02 0.28 -0.58 0.00 -1.23 0.00 0.00 61.79 60.24 1ghk h SER 12 Cb 0.25 0.72 -0.07 0.00 -0.44 0.00 0.00 62.40 62.87 1ghk h SER 12 CO 0.03 -0.30 -0.12 -0.63 -0.53 0.00 0.00 176.83 175.27 1ghk s ILE 13 N -5.86 5.06 -0.44 2.23 1.01 -1.26 -4.95 121.20 117.00 1ghk s ILE 13 Ca -0.14 1.00 0.07 0.00 0.00 0.00 0.00 60.65 61.58 1ghk s ILE 13 Cb 0.16 -3.82 0.19 0.00 0.01 0.00 0.00 42.46 39.00 1ghk s ILE 13 CO 0.68 0.42 1.15 0.00 0.00 0.00 0.00 174.94 177.20 1ghk n ALA 14 N 2.90 2.17 0.00 9.38 0.00 -1.26 -3.64 120.51 130.05 1ghk n ALA 14 Ca -0.09 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1ghk n ALA 14 Cb 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.10 0.00 -0.73 0.00 5.68 -1.26 -4.79 116.55 115.35 1ghk n ASP 15 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1ghk n ASP 15 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.05 2.60 3.19 6.12 0.00 -1.12 -4.79 105.19 111.13 1ghk n GLY 16 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.79 -0.25 0.98 2.61 2.01 -0.70 -1.69 115.64 115.81 1ghk s THR 17 Ca 0.00 0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.00 1ghk s THR 17 Cb 0.00 -0.55 -0.07 0.00 0.01 0.00 0.00 72.50 71.88 1ghk s THR 17 CO 0.00 0.06 -0.30 0.52 -0.69 0.00 0.00 174.62 174.22 1ghk n VAL 18 N 4.72 0.00 0.00 3.82 0.31 -0.71 -0.71 118.33 125.76 1ghk n VAL 18 Ca -0.17 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1ghk n VAL 18 Cb 0.52 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 -2.97 0.83 -3.64 3.52 0.00 -0.18 -4.26 120.51 113.81 1ghk n ALA 19 Ca 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.25 1ghk n ALA 19 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.05 0.00 2.01 -1.21 -4.48 115.64 110.21 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 0.15 0.00 0.01 0.00 0.00 72.50 71.66 1ghk s THR 20 CO 0.00 0.00 1.26 0.26 -0.69 0.00 0.00 174.62 175.45 1ghk s TRP 21 N 1.40 3.31 0.11 4.92 0.52 -1.26 -2.91 118.94 125.03 1ghk s TRP 21 Ca -0.08 -1.74 -0.25 0.00 0.02 0.00 0.00 56.10 54.04 1ghk s TRP 21 Cb -0.05 -4.28 -0.07 0.00 -1.15 0.00 0.00 33.47 27.91 1ghk s TRP 21 CO -0.16 -1.43 1.42 0.45 0.02 0.00 0.00 176.95 177.25 1ghk h HIS 22 N 8.05 -1.40 -0.93 -1.98 3.86 -1.98 -3.41 115.15 117.37 1ghk h HIS 22 Ca 0.23 0.08 -0.48 0.00 -1.16 0.00 0.00 60.37 59.04 1ghk h HIS 22 Cb 0.96 0.68 0.02 0.00 1.06 0.00 0.00 27.41 30.13 1ghk h HIS 22 CO 1.13 -0.34 -0.15 0.15 0.86 0.00 0.00 177.93 179.59 1ghk s LYS 23 N -5.01 2.42 0.38 2.45 1.02 -1.26 -5.13 119.74 114.60 1ghk s LYS 23 Ca -0.10 -1.58 0.08 0.00 0.02 0.00 0.00 55.97 54.39 1ghk s LYS 23 Cb 0.07 -2.64 -0.07 0.00 -0.52 0.00 0.00 37.83 34.68 1ghk s LYS 23 CO 0.48 -0.72 0.01 0.15 -0.92 0.00 0.00 175.35 174.35 1ghk s LYS 24 N -4.57 1.99 -0.47 1.68 1.02 -1.26 -5.04 119.74 113.08 1ghk s LYS 24 Ca 0.59 -1.94 -0.29 0.00 0.02 0.00 0.00 55.97 54.35 1ghk s LYS 24 Cb -0.06 -1.78 0.02 0.00 -0.52 0.00 0.00 37.83 35.49 1ghk s LYS 24 CO 0.37 0.03 1.32 -1.25 -0.92 0.00 0.00 175.35 174.90 1ghk s PRO 25 N -3.71 3.56 0.00 -1.68 0.04 -1.26 -3.42 135.00 128.53 1ghk s PRO 25 Ca 0.35 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1ghk s PRO 25 Cb 0.05 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1ghk s PRO 25 CO 0.19 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1ghk n GLY 26 N 5.05 0.56 0.89 0.56 0.00 -1.26 -4.87 105.19 106.13 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 0.76 -4.11 1.61 1.02 -1.22 -4.95 120.64 113.75 1ghk n GLU 27 Ca 0.00 -0.69 -0.26 0.00 -0.02 0.00 0.00 57.16 56.19 1ghk n GLU 27 Cb 0.00 -0.09 -0.06 0.00 -0.02 0.00 0.00 31.44 31.27 1ghk n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ghk s ALA 28 N -2.39 3.49 0.02 0.62 0.00 -1.26 -3.80 121.76 118.44 1ghk s ALA 28 Ca 0.14 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1ghk s ALA 28 Cb -0.01 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 1ghk s ALA 28 CO 0.09 0.51 -0.03 0.54 0.00 0.00 0.00 175.76 176.87 1ghk s VAL 29 N -1.73 0.14 -0.07 0.00 0.11 -0.99 -4.99 120.40 112.88 1ghk s VAL 29 Ca 0.30 -0.83 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 1ghk s VAL 29 Cb -0.10 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.46 1ghk s VAL 29 CO 0.22 -0.43 -0.15 -0.54 -3.33 0.00 0.00 175.10 170.87 1ghk s LYS 30 N -1.32 2.68 0.52 1.54 3.01 -1.26 -2.74 119.74 122.17 1ghk s LYS 30 Ca -0.14 -0.71 -0.18 0.00 -1.01 0.00 0.00 55.97 53.93 1ghk s LYS 30 Cb -0.09 -2.41 -0.13 0.00 -1.01 0.00 0.00 37.83 34.19 1ghk s LYS 30 CO -0.01 0.53 0.07 -2.13 0.51 0.00 0.00 175.35 174.32 1ghk n ARG 31 N 2.59 0.15 -2.88 1.68 0.63 -1.26 -2.81 116.66 114.77 1ghk n ARG 31 Ca -0.17 0.06 -0.09 0.00 -0.92 0.00 0.00 57.85 56.73 1ghk n ARG 31 Cb 0.52 -1.21 0.03 0.00 0.45 0.00 0.00 32.46 32.25 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 1.90 -3.51 -3.71 6.15 -0.08 -1.20 -4.94 116.55 111.17 1ghk n ASP 32 Ca 0.09 -0.21 -0.16 0.00 -1.51 0.00 0.00 54.79 52.99 1ghk n ASP 32 Cb 0.47 -2.25 -0.16 0.00 2.34 0.00 0.00 41.12 41.52 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 -5.40 0.00 1.01 -0.67 2.56 -1.12 -5.01 118.70 110.07 1ghk s GLU 33 Ca 0.20 0.40 -0.20 0.00 0.00 0.00 0.00 54.97 55.37 1ghk s GLU 33 Cb -0.09 -0.31 -0.11 0.00 2.00 0.00 0.00 34.13 35.62 1ghk s GLU 33 CO 0.28 -0.25 -0.81 -0.11 -0.56 0.00 0.00 175.26 173.81 1ghk n LEU 34 N 4.84 -3.76 0.00 2.70 7.94 -1.26 -2.43 117.00 125.03 1ghk n LEU 34 Ca -0.14 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1ghk n LEU 34 Cb 0.50 -0.75 0.00 0.00 0.53 0.00 0.00 43.42 43.70 1ghk n LEU 34 CO 0.11 -4.13 -0.01 -0.38 -1.11 0.00 0.00 177.39 171.87 1ghk n ILE 35 N -3.24 0.00 -3.64 1.96 2.08 0.12 -4.57 119.36 112.08 1ghk n ILE 35 Ca -0.01 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.22 1ghk n ILE 35 Cb 0.63 -0.32 -0.07 0.00 -0.75 0.00 0.00 39.64 39.13 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 -1.62 0.00 0.15 1.39 0.11 -0.97 -4.08 120.40 115.38 1ghk s VAL 36 Ca 0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1ghk s VAL 36 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1ghk s VAL 36 CO 0.00 0.00 0.32 -1.81 -3.33 0.00 0.00 175.10 170.28 1ghk s ASP 37 N 0.58 6.39 0.22 3.54 1.11 -1.15 -0.38 116.67 126.99 1ghk s ASP 37 Ca -0.01 0.36 0.11 0.00 0.18 0.00 0.00 52.55 53.20 1ghk s ASP 37 Cb -0.05 -1.99 -0.05 0.00 1.07 0.00 0.00 42.92 41.90 1ghk s ASP 37 CO -0.08 0.04 -0.21 -0.63 1.18 0.00 0.00 175.17 175.47 1ghk s ILE 38 N -1.72 2.47 -0.12 0.77 -1.09 -0.98 -1.01 121.20 119.52 1ghk s ILE 38 Ca 0.37 -2.13 0.02 0.00 -2.23 0.00 0.00 60.65 56.69 1ghk s ILE 38 Cb -0.12 -2.22 -0.00 0.00 -1.58 0.00 0.00 42.46 38.54 1ghk s ILE 38 CO 0.28 -0.21 -0.20 -1.61 -1.23 0.00 0.00 174.94 171.97 1ghk s GLU 39 N -2.96 3.14 0.00 2.79 0.41 0.12 -1.57 118.70 120.62 1ghk s GLU 39 Ca 0.24 -0.82 0.00 0.00 -0.41 0.00 0.00 54.97 53.98 1ghk s GLU 39 Cb -0.07 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.85 1ghk s GLU 39 CO 0.12 0.15 0.00 2.41 -0.49 0.00 0.00 175.26 177.45 1ghk n THR 40 N 3.64 0.00 0.00 3.63 -1.04 -0.79 -1.71 114.28 118.02 1ghk n THR 40 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1ghk n THR 40 Cb 0.53 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 1ghk n THR 40 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ghk n ASP 41 N -0.25 0.00 -1.21 8.00 2.03 -1.26 -4.02 116.55 119.84 1ghk n ASP 41 Ca 0.00 0.95 0.04 0.00 0.52 0.00 0.00 54.79 56.30 1ghk n ASP 41 Cb 0.00 -0.45 0.04 0.00 -0.72 0.00 0.00 41.12 39.99 1ghk n ASP 41 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ghk n LYS 42 N -2.67 0.21 -4.43 -0.67 4.76 -1.26 -5.09 118.16 109.01 1ghk n LYS 42 Ca 0.00 -2.01 -0.21 0.00 -2.87 0.00 0.00 58.31 53.22 1ghk n LYS 42 Cb 0.00 -0.29 -0.11 0.00 -1.84 0.00 0.00 35.03 32.79 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 -0.43 1.18 -0.10 -0.18 1.01 -1.26 -5.14 120.40 115.48 1ghk s VAL 43 Ca 0.29 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.26 1ghk s VAL 43 Cb 0.33 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1ghk s VAL 43 CO -0.13 -0.04 -0.08 0.54 0.00 0.00 0.00 175.10 175.38 1ghk s VAL 44 N -3.31 1.02 0.53 2.92 0.11 -1.26 -1.88 120.40 118.53 1ghk s VAL 44 Ca 0.36 -0.31 0.08 0.00 -2.93 0.00 0.00 61.98 59.17 1ghk s VAL 44 Cb 0.08 -1.02 0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1ghk s VAL 44 CO 0.15 0.36 0.60 -0.04 -3.33 0.00 0.00 175.10 172.83 1ghk s MET 45 N 1.47 2.38 0.06 1.54 -1.94 -0.61 -4.96 119.30 117.23 1ghk s MET 45 Ca 0.00 -1.70 0.02 0.00 -1.71 0.00 0.00 55.69 52.30 1ghk s MET 45 Cb -0.13 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.22 1ghk s MET 45 CO -0.05 -0.64 -0.07 -1.83 -0.01 0.00 0.00 175.02 172.42 1ghk s GLU 46 N -4.44 0.61 -0.30 2.03 -1.05 -1.26 -2.31 118.70 111.97 1ghk s GLU 46 Ca 0.51 -0.93 0.02 0.00 -0.15 0.00 0.00 54.97 54.41 1ghk s GLU 46 Cb -0.05 -0.24 0.09 0.00 -0.44 0.00 0.00 34.13 33.49 1ghk s GLU 46 CO 0.31 0.02 0.04 0.08 0.95 0.00 0.00 175.26 176.66 1ghk s VAL 47 N -2.10 1.66 0.13 1.83 1.01 0.48 -4.88 120.40 118.53 1ghk s VAL 47 Ca -0.03 -1.77 -0.04 0.00 0.00 0.00 0.00 61.98 60.14 1ghk s VAL 47 Cb -0.05 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1ghk s VAL 47 CO -0.01 -0.49 0.35 -0.22 0.00 0.00 0.00 175.10 174.72 1ghk s LEU 48 N 1.25 4.28 0.19 3.92 0.20 -1.26 0.16 118.68 127.42 1ghk s LEU 48 Ca 0.06 0.52 -0.30 0.00 0.69 0.00 0.00 54.13 55.10 1ghk s LEU 48 Cb -0.18 -3.24 -0.08 0.00 -0.43 0.00 0.00 46.19 42.26 1ghk s LEU 48 CO -0.13 0.07 0.99 0.00 -0.29 0.00 0.00 176.35 176.98 1ghk s ALA 49 N -1.64 3.32 -0.24 5.97 0.00 -1.02 -4.85 121.76 123.30 1ghk s ALA 49 Ca 0.40 0.66 0.14 0.00 0.00 0.00 0.00 51.96 53.16 1ghk s ALA 49 Cb -0.12 -3.26 0.79 0.00 0.00 0.00 0.00 23.12 20.53 1ghk s ALA 49 CO 0.25 0.04 1.72 0.39 0.00 0.00 0.00 175.76 178.16 1ghk n GLU 50 N 2.00 4.70 -3.65 0.00 1.02 -1.26 -3.24 120.64 120.21 1ghk n GLU 50 Ca 0.00 -3.14 -0.01 0.00 -0.02 0.00 0.00 57.16 53.99 1ghk n GLU 50 Cb 0.47 -2.23 -0.07 0.00 -0.02 0.00 0.00 31.44 29.60 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 -2.78 -2.40 1.18 0.62 0.00 -1.26 -4.96 121.76 112.16 1ghk s ALA 51 Ca 0.53 1.89 -0.14 0.00 0.00 0.00 0.00 51.96 54.24 1ghk s ALA 51 Cb 0.41 -1.83 0.29 0.00 0.00 0.00 0.00 23.12 21.99 1ghk s ALA 51 CO 0.15 -0.23 1.03 0.34 0.00 0.00 0.00 175.76 177.05 1ghk s ASP 52 N 0.63 0.89 0.00 0.00 -1.08 -1.26 -4.52 116.67 111.33 1ghk s ASP 52 Ca -0.01 1.34 0.00 0.00 -0.52 0.00 0.00 52.55 53.36 1ghk s ASP 52 Cb -0.04 -2.08 0.00 0.00 -1.46 0.00 0.00 42.92 39.35 1ghk s ASP 52 CO -0.12 -4.23 0.00 0.61 0.52 0.00 0.00 175.17 171.95 1ghk n GLY 53 N 0.54 0.35 2.90 2.66 0.00 -1.11 -3.41 105.19 107.13 1ghk n GLY 53 Ca 0.04 -1.37 -0.20 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.83 0.55 0.96 1.61 1.01 -1.26 -2.35 120.40 117.09 1ghk s VAL 54 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 1ghk s VAL 54 Cb 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.85 1ghk s VAL 54 CO 0.00 0.22 0.36 -0.38 0.00 0.00 0.00 175.10 175.30 1ghk n ILE 55 N 3.93 0.00 -0.01 2.22 5.41 -1.25 -1.23 119.36 128.43 1ghk n ILE 55 Ca -0.25 -0.20 -0.01 0.00 1.00 0.00 0.00 62.75 63.29 1ghk n ILE 55 Cb 0.51 -0.61 -0.00 0.00 -0.71 0.00 0.00 39.64 38.83 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 -3.62 0.09 -3.65 -1.39 0.00 0.42 -4.25 120.51 108.11 1ghk n ALA 56 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 1ghk n ALA 56 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 1ghk n ALA 56 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ghk s GLU 57 N -1.21 0.15 -0.21 0.00 2.02 -1.26 -4.63 118.70 113.56 1ghk s GLU 57 Ca -0.03 0.23 -0.15 0.00 0.02 0.00 0.00 54.97 55.04 1ghk s GLU 57 Cb 0.00 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.24 1ghk s GLU 57 CO 0.05 -0.03 0.36 0.42 0.02 0.00 0.00 175.26 176.08 1ghk s ILE 58 N 0.80 5.23 -0.04 -1.63 -1.09 -1.26 -4.07 121.20 119.14 1ghk s ILE 58 Ca -0.04 0.62 0.13 0.00 -2.23 0.00 0.00 60.65 59.12 1ghk s ILE 58 Cb -0.03 -3.69 -0.22 0.00 -1.58 0.00 0.00 42.46 36.93 1ghk s ILE 58 CO -0.12 0.27 0.69 0.58 -1.23 0.00 0.00 174.94 175.13 1ghk h VAL 59 N 5.03 0.85 -3.21 2.92 2.07 -1.65 -3.47 116.25 118.78 1ghk h VAL 59 Ca -0.36 -2.68 -0.47 0.00 0.82 0.00 0.00 66.70 64.00 1ghk h VAL 59 Cb 1.16 2.41 0.03 0.00 -1.52 0.00 0.00 31.29 33.37 1ghk h VAL 59 CO 0.71 0.48 0.02 -0.54 0.02 0.00 0.00 177.57 178.26 1ghk s LYS 60 N -2.62 3.21 0.24 1.57 3.01 -1.26 -5.10 119.74 118.80 1ghk s LYS 60 Ca -0.04 -0.16 0.11 0.00 -1.01 0.00 0.00 55.97 54.87 1ghk s LYS 60 Cb 0.08 -2.45 -0.05 0.00 -1.01 0.00 0.00 37.83 34.41 1ghk s LYS 60 CO 0.82 -0.31 -0.14 -0.80 0.51 0.00 0.00 175.35 175.44 1ghk s ASN 61 N -4.18 3.93 0.28 2.83 0.01 -1.26 -5.06 114.94 111.49 1ghk s ASN 61 Ca 0.48 -0.80 -0.30 0.00 -0.71 0.00 0.00 52.86 51.53 1ghk s ASN 61 Cb -0.10 -0.51 -0.11 0.00 0.41 0.00 0.00 41.25 40.93 1ghk s ASN 61 CO 0.41 0.06 1.59 -1.61 -1.51 0.00 0.00 177.10 176.04 1ghk s GLU 62 N -3.23 4.14 0.00 -0.60 8.01 -1.26 -1.56 118.70 124.20 1ghk s GLU 62 Ca 0.27 2.54 0.00 0.00 0.01 0.00 0.00 54.97 57.80 1ghk s GLU 62 Cb -0.07 -3.04 0.00 0.00 -4.31 0.00 0.00 34.13 26.71 1ghk s GLU 62 CO 0.15 -0.62 0.00 0.41 0.01 0.00 0.00 175.26 175.21 1ghk n GLY 63 N 2.34 0.81 3.94 -1.39 0.00 -1.26 -5.05 105.19 104.57 1ghk n GLY 63 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.71 4.75 0.30 1.61 2.15 -0.60 -4.87 116.67 117.31 1ghk s ASP 64 Ca 0.00 0.37 0.06 0.00 0.43 0.00 0.00 52.55 53.41 1ghk s ASP 64 Cb 0.00 -1.00 -0.02 0.00 -0.30 0.00 0.00 42.92 41.60 1ghk s ASP 64 CO 0.00 -1.63 0.44 0.28 -0.17 0.00 0.00 175.17 174.09 1ghk s THR 65 N -3.23 4.55 0.03 1.71 -1.32 -1.26 -1.74 115.64 114.37 1ghk s THR 65 Ca 0.61 -0.96 0.06 0.00 -1.21 0.00 0.00 61.69 60.19 1ghk s THR 65 Cb -0.10 -3.59 -0.02 0.00 -1.51 0.00 0.00 72.50 67.27 1ghk s THR 65 CO 0.45 -0.24 -0.18 0.68 -2.21 0.00 0.00 174.62 173.12 1ghk s VAL 66 N -2.12 1.41 0.38 5.08 -7.23 -0.68 -4.79 120.40 112.44 1ghk s VAL 66 Ca 0.41 -1.04 0.08 0.00 -1.81 0.00 0.00 61.98 59.61 1ghk s VAL 66 Cb -0.09 -1.23 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 1ghk s VAL 66 CO 0.31 0.16 0.33 -0.22 -0.31 0.00 0.00 175.10 175.37 1ghk s LEU 67 N -1.02 3.45 -0.53 1.32 2.96 -1.26 -2.81 118.68 120.79 1ghk s LEU 67 Ca 0.05 -0.66 -0.27 0.00 -0.22 0.00 0.00 54.13 53.03 1ghk s LEU 67 Cb -0.08 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1ghk s LEU 67 CO 0.01 -0.51 1.96 -0.55 -1.32 0.00 0.00 176.35 175.94 1ghk s SER 68 N -4.05 5.21 0.00 3.68 0.15 -1.26 -1.51 113.70 115.91 1ghk s SER 68 Ca 0.45 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1ghk s SER 68 Cb -0.04 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1ghk s SER 68 CO 0.27 -2.36 0.00 0.61 1.20 0.00 0.00 173.24 172.96 1ghk n GLY 69 N 5.71 1.25 3.68 9.45 0.00 -1.22 -4.96 105.19 119.10 1ghk n GLY 69 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.43 4.36 -0.37 1.61 2.56 -0.57 -4.78 118.70 121.07 1ghk s GLU 70 Ca 0.00 1.29 -0.28 0.00 0.00 0.00 0.00 54.97 55.98 1ghk s GLU 70 Cb 0.00 -3.57 0.02 0.00 2.00 0.00 0.00 34.13 32.58 1ghk s GLU 70 CO 0.00 -0.38 1.02 -1.17 -0.56 0.00 0.00 175.26 174.16 1ghk s LEU 71 N 2.30 3.91 0.22 2.70 0.20 -1.26 -2.25 118.68 124.49 1ghk s LEU 71 Ca 0.45 0.72 0.23 0.00 0.69 0.00 0.00 54.13 56.21 1ghk s LEU 71 Cb -0.17 -3.41 0.02 0.00 -0.43 0.00 0.00 46.19 42.20 1ghk s LEU 71 CO 0.14 -0.94 1.08 -0.07 -0.29 0.00 0.00 176.35 176.27 1ghk h LEU 72 N 10.30 0.00 0.00 -0.68 3.38 -1.82 -3.42 115.31 123.07 1ghk h LEU 72 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ghk h LEU 72 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1ghk h LEU 72 CO 1.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.17 1ghk n GLY 73 N 1.18 -0.96 3.25 0.83 0.00 -1.23 -2.05 105.19 106.21 1ghk n GLY 73 Ca 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 1ghk n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ghk s LYS 74 N -2.00 0.75 0.30 1.61 -2.85 -1.26 -1.33 119.74 114.96 1ghk s LYS 74 Ca 0.00 -0.39 -0.08 0.00 -1.00 0.00 0.00 55.97 54.50 1ghk s LYS 74 Cb 0.00 0.33 -0.06 0.00 -2.06 0.00 0.00 37.83 36.04 1ghk s LYS 74 CO 0.00 -0.23 0.61 -1.17 0.10 0.00 0.00 175.35 174.66 1ghk s LEU 75 N -1.79 4.04 0.60 2.77 2.96 -0.86 -0.44 118.68 125.97 1ghk s LEU 75 Ca -0.08 0.89 -0.01 0.00 -0.22 0.00 0.00 54.13 54.71 1ghk s LEU 75 Cb -0.02 -3.70 0.05 0.00 0.50 0.00 0.00 46.19 43.01 1ghk s LEU 75 CO -0.00 -0.21 0.84 -0.89 -1.32 0.00 0.00 176.35 174.77 1ghk s THR 76 N -2.07 2.54 1.24 3.68 2.01 -0.37 -4.25 115.64 118.42 1ghk s THR 76 Ca 0.47 -0.58 -0.20 0.00 0.31 0.00 0.00 61.69 61.69 1ghk s THR 76 Cb -0.11 -2.96 0.30 0.00 0.01 0.00 0.00 72.50 69.74 1ghk s THR 76 CO 0.27 0.00 1.10 -1.61 -0.69 0.00 0.00 174.62 173.69 1ghk s GLU 77 N -4.90 -1.52 0.00 4.92 2.02 -1.26 -3.28 118.70 114.68 1ghk s GLU 77 Ca 0.59 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.45 1ghk s GLU 77 Cb -0.10 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 32.56 1ghk s GLU 77 CO 0.40 -3.90 0.00 0.41 0.02 0.00 0.00 175.26 172.19 1ghk n GLY 78 N -0.80 3.63 3.57 -1.39 0.00 -1.26 -4.27 105.19 104.66 1ghk n GLY 78 Ca 0.14 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93