#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 3.05 0.35 0.00 -1.09 -1.17 -4.95 121.20 117.38 1ghk s ILE 2 Ca 0.00 -1.90 -0.27 0.00 -2.23 0.00 0.00 60.65 56.25 1ghk s ILE 2 Cb 0.00 -3.01 -0.09 0.00 -1.58 0.00 0.00 42.46 37.77 1ghk s ILE 2 CO 0.00 -0.51 1.15 -0.62 -1.23 0.00 0.00 174.94 173.73 1ghk s ASP 3 N 1.52 6.85 -0.38 3.58 -1.08 -1.26 -1.70 116.67 124.19 1ghk s ASP 3 Ca 0.05 2.34 -0.04 0.00 -0.52 0.00 0.00 52.55 54.37 1ghk s ASP 3 Cb -0.21 -2.62 0.09 0.00 -1.46 0.00 0.00 42.92 38.71 1ghk s ASP 3 CO -0.04 -0.45 0.16 -0.63 0.52 0.00 0.00 175.17 174.73 1ghk s ILE 4 N -1.31 3.41 0.35 4.11 -1.09 -0.72 -4.91 121.20 121.03 1ghk s ILE 4 Ca 0.52 -1.73 0.07 0.00 -2.23 0.00 0.00 60.65 57.28 1ghk s ILE 4 Cb -0.31 -3.18 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 1ghk s ILE 4 CO 0.40 -0.49 0.36 -1.59 -1.23 0.00 0.00 174.94 172.39 1ghk s LYS 5 N 1.23 2.79 0.72 2.79 0.00 -1.26 -2.36 119.74 123.65 1ghk s LYS 5 Ca 0.04 -1.26 -0.11 0.00 0.00 0.00 0.00 55.97 54.63 1ghk s LYS 5 Cb -0.22 -2.55 0.03 0.00 0.00 0.00 0.00 37.83 35.08 1ghk s LYS 5 CO -0.02 0.03 1.07 0.00 0.00 0.00 0.00 175.35 176.43 1ghk s ALA 6 N -2.30 2.51 0.75 0.59 0.00 -0.65 -4.88 121.76 117.78 1ghk s ALA 6 Ca 0.43 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1ghk s ALA 6 Cb -0.06 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1ghk s ALA 6 CO 0.28 -1.43 1.11 -1.25 0.00 0.00 0.00 175.76 174.47 1ghk s PRO 7 N -4.93 2.46 -0.47 0.00 0.04 -1.26 -3.81 135.00 127.04 1ghk s PRO 7 Ca 0.60 0.48 -0.22 0.00 0.04 0.00 0.00 61.00 61.90 1ghk s PRO 7 Cb -0.15 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1ghk s PRO 7 CO 0.54 -1.32 0.73 0.99 0.04 0.00 0.00 177.00 177.98 1ghk s THR 8 N -3.31 4.71 0.62 1.26 2.01 -1.26 -3.74 115.64 115.93 1ghk s THR 8 Ca 0.60 0.15 -0.19 0.00 0.31 0.00 0.00 61.69 62.56 1ghk s THR 8 Cb -0.12 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.06 1ghk s THR 8 CO 0.52 -0.74 1.30 -0.36 -0.69 0.00 0.00 174.62 174.65 1ghk s PHE 9 N 3.10 2.15 0.00 4.92 0.08 -1.26 -5.01 117.98 121.96 1ghk s PHE 9 Ca 0.25 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.76 1ghk s PHE 9 Cb -0.14 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.61 1ghk s PHE 9 CO 0.19 -2.85 0.00 -0.35 -0.10 0.00 0.00 175.22 172.11 1ghk n PRO 10 N -1.69 0.93 0.02 0.24 -0.04 -1.22 -4.93 135.00 128.31 1ghk n PRO 10 Ca 0.14 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1ghk n PRO 10 Cb 0.48 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.15 -0.76 0.54 5.08 -2.03 -3.35 114.58 113.91 1ghk h GLU 11 Ca 0.00 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1ghk h GLU 11 Cb 0.00 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.16 1ghk h GLU 11 CO 0.00 -0.00 -0.43 1.03 -1.00 0.00 0.00 179.01 178.61 1ghk h SER 12 N -1.03 -1.53 -3.05 1.42 0.87 -2.04 -3.37 113.55 104.83 1ghk h SER 12 Ca -0.02 0.27 -0.61 0.00 -1.23 0.00 0.00 61.79 60.21 1ghk h SER 12 Cb 0.22 0.73 -0.07 0.00 -0.44 0.00 0.00 62.40 62.84 1ghk h SER 12 CO 0.03 -0.30 -0.28 -0.63 -0.53 0.00 0.00 176.83 175.12 1ghk s ILE 13 N -5.85 5.20 -0.05 2.23 -1.09 -1.26 -4.96 121.20 115.43 1ghk s ILE 13 Ca -0.14 0.66 0.07 0.00 -2.23 0.00 0.00 60.65 59.02 1ghk s ILE 13 Cb 0.15 -3.65 0.11 0.00 -1.58 0.00 0.00 42.46 37.50 1ghk s ILE 13 CO 0.68 0.51 1.02 0.00 -1.23 0.00 0.00 174.94 175.92 1ghk n ALA 14 N 2.47 2.02 -3.12 9.38 0.00 -1.26 -3.38 120.51 126.62 1ghk n ALA 14 Ca -0.14 -1.59 -0.01 0.00 0.00 0.00 0.00 53.44 51.70 1ghk n ALA 14 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.79 -0.28 -3.17 0.00 5.75 -1.26 -4.74 116.55 112.07 1ghk n ASP 15 Ca 0.06 -1.23 -0.06 0.00 -0.01 0.00 0.00 54.79 53.55 1ghk n ASP 15 Cb 0.45 0.47 0.02 0.00 -1.03 0.00 0.00 41.12 41.03 1ghk n ASP 15 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1ghk s GLY 16 N -1.29 0.23 -0.18 6.12 0.00 -1.23 -4.81 107.32 106.16 1ghk s GLY 16 Ca 0.03 -0.52 -0.06 0.00 0.00 0.00 0.00 44.72 44.17 1ghk s GLY 16 CO 0.02 1.18 0.36 -1.59 0.00 0.00 0.00 173.10 173.07 1ghk s THR 17 N -2.24 -0.56 1.00 0.90 2.01 -0.68 -1.62 115.64 114.46 1ghk s THR 17 Ca 0.19 0.19 -0.18 0.00 0.31 0.00 0.00 61.69 62.20 1ghk s THR 17 Cb -0.04 -0.59 -0.09 0.00 0.01 0.00 0.00 72.50 71.79 1ghk s THR 17 CO 0.08 0.07 -0.58 0.52 -0.69 0.00 0.00 174.62 174.02 1ghk n VAL 18 N 5.37 0.00 0.00 3.82 0.31 -0.28 -1.06 118.33 126.50 1ghk n VAL 18 Ca -0.07 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1ghk n VAL 18 Cb 0.50 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 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 -3.16 0.76 -3.63 3.52 0.00 -0.31 -3.18 120.51 114.50 1ghk n ALA 19 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1ghk n ALA 19 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.45 0.00 -1.09 0.00 2.01 -1.24 -2.64 115.64 112.22 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 1.30 0.26 -0.69 0.00 0.00 174.62 175.49 1ghk s TRP 21 N 0.86 3.37 0.19 4.92 0.52 -1.26 -2.73 118.94 124.81 1ghk s TRP 21 Ca -0.04 -1.85 -0.22 0.00 0.02 0.00 0.00 56.10 54.01 1ghk s TRP 21 Cb -0.05 -4.29 0.12 0.00 -1.15 0.00 0.00 33.47 28.10 1ghk s TRP 21 CO -0.07 -1.42 1.56 0.45 0.02 0.00 0.00 176.95 177.49 1ghk h HIS 22 N 7.81 -1.23 -2.35 -1.98 3.86 -1.97 -3.40 115.15 115.89 1ghk h HIS 22 Ca 0.25 0.10 -0.55 0.00 -1.16 0.00 0.00 60.37 59.01 1ghk h HIS 22 Cb 0.93 0.65 -0.08 0.00 1.06 0.00 0.00 27.41 29.97 1ghk h HIS 22 CO 1.12 -0.40 -0.60 0.15 0.86 0.00 0.00 177.93 179.06 1ghk s LYS 23 N -5.86 2.56 0.44 2.45 1.02 -1.26 -5.13 119.74 113.96 1ghk s LYS 23 Ca -0.14 -1.21 0.05 0.00 0.02 0.00 0.00 55.97 54.69 1ghk s LYS 23 Cb 0.16 -2.36 0.01 0.00 -0.52 0.00 0.00 37.83 35.12 1ghk s LYS 23 CO 0.68 0.40 0.61 0.15 -0.92 0.00 0.00 175.35 176.28 1ghk s LYS 24 N -3.56 2.86 -0.65 1.68 1.02 -1.26 -4.98 119.74 114.84 1ghk s LYS 24 Ca 0.31 -0.95 -0.27 0.00 0.02 0.00 0.00 55.97 55.08 1ghk s LYS 24 Cb -0.08 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1ghk s LYS 24 CO 0.21 -0.31 1.44 -1.25 -0.92 0.00 0.00 175.35 174.53 1ghk s PRO 25 N -4.45 3.12 0.00 -1.68 0.04 -1.26 -3.07 135.00 127.70 1ghk s PRO 25 Ca 0.52 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1ghk s PRO 25 Cb -0.10 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1ghk s PRO 25 CO 0.35 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.61 1ghk n GLY 26 N 5.40 0.17 1.06 0.56 0.00 -1.26 -4.79 105.19 106.33 1ghk n GLY 26 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 0.29 -3.77 1.61 4.71 -1.18 -4.87 120.64 117.43 1ghk n GLU 27 Ca 0.00 -0.72 -0.31 0.00 -0.01 0.00 0.00 57.16 56.12 1ghk n GLU 27 Cb 0.00 -0.21 -0.04 0.00 -1.01 0.00 0.00 31.44 30.17 1ghk n GLU 27 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ghk s ALA 28 N -3.06 3.88 0.12 0.62 0.00 -1.26 -4.44 121.76 117.62 1ghk s ALA 28 Ca 0.19 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1ghk s ALA 28 Cb -0.01 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 1ghk s ALA 28 CO 0.12 0.73 -0.04 0.14 0.00 0.00 0.00 175.76 176.72 1ghk s VAL 29 N -1.59 0.69 -0.04 0.00 -7.23 -1.26 -5.06 120.40 105.91 1ghk s VAL 29 Ca 0.38 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 1ghk s VAL 29 Cb -0.12 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.98 1ghk s VAL 29 CO 0.26 -0.73 -0.13 -0.75 -0.31 0.00 0.00 175.10 173.44 1ghk s LYS 30 N -3.86 1.36 0.24 4.82 2.20 -1.26 -4.21 119.74 119.01 1ghk s LYS 30 Ca 0.16 -0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 55.05 1ghk s LYS 30 Cb 0.05 -1.21 -0.16 0.00 -1.51 0.00 0.00 37.83 35.00 1ghk s LYS 30 CO -0.02 0.17 0.64 -2.13 -0.36 0.00 0.00 175.35 173.65 1ghk n ARG 31 N 3.25 0.38 -2.76 4.03 0.63 -1.26 -2.27 116.66 118.66 1ghk n ARG 31 Ca -0.18 0.13 -0.09 0.00 -0.92 0.00 0.00 57.85 56.79 1ghk n ARG 31 Cb 0.53 -1.24 0.04 0.00 0.45 0.00 0.00 32.46 32.24 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 1.78 -2.62 -3.69 6.15 -0.08 -1.26 -4.95 116.55 111.88 1ghk n ASP 32 Ca 0.15 -0.27 -0.19 0.00 -1.51 0.00 0.00 54.79 52.97 1ghk n ASP 32 Cb 0.28 -2.61 -0.18 0.00 2.34 0.00 0.00 41.12 40.95 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 -4.92 -0.07 1.01 -0.67 2.12 -0.96 -4.99 118.70 110.22 1ghk s GLU 33 Ca 0.08 0.35 -0.20 0.00 0.36 0.00 0.00 54.97 55.56 1ghk s GLU 33 Cb -0.04 -0.45 -0.11 0.00 0.26 0.00 0.00 34.13 33.79 1ghk s GLU 33 CO 0.33 -0.30 -0.80 -0.11 -0.54 0.00 0.00 175.26 173.84 1ghk n LEU 34 N 5.08 -3.79 0.00 2.70 7.94 -1.26 -2.23 117.00 125.44 1ghk n LEU 34 Ca -0.08 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1ghk n LEU 34 Cb 0.50 -0.76 0.00 0.00 0.53 0.00 0.00 43.42 43.69 1ghk n LEU 34 CO 0.09 -4.17 0.00 -0.38 -1.11 0.00 0.00 177.39 171.82 1ghk n ILE 35 N -3.22 0.00 -3.68 1.96 2.08 0.36 -4.57 119.36 112.30 1ghk n ILE 35 Ca -0.01 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.20 1ghk n ILE 35 Cb 0.63 -0.09 -0.09 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 -1.26 -0.01 0.23 1.39 0.11 -1.00 -3.75 120.40 116.12 1ghk s VAL 36 Ca 0.00 0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.13 1ghk s VAL 36 Cb 0.00 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1ghk s VAL 36 CO 0.00 0.01 0.34 -1.81 -3.33 0.00 0.00 175.10 170.31 1ghk s ASP 37 N 0.99 6.27 0.15 3.54 1.01 -1.10 -0.44 116.67 127.08 1ghk s ASP 37 Ca -0.06 0.06 0.06 0.00 0.71 0.00 0.00 52.55 53.33 1ghk s ASP 37 Cb -0.06 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 42.00 1ghk s ASP 37 CO -0.09 -0.05 -0.14 -0.51 0.21 0.00 0.00 175.17 174.59 1ghk s ILE 38 N -1.96 1.42 0.01 0.77 2.07 -1.00 -1.16 121.20 121.35 1ghk s ILE 38 Ca 0.34 -1.91 0.05 0.00 -1.41 0.00 0.00 60.65 57.72 1ghk s ILE 38 Cb -0.09 -1.73 -0.02 0.00 0.13 0.00 0.00 42.46 40.75 1ghk s ILE 38 CO 0.29 -0.51 -0.14 -0.70 -1.91 0.00 0.00 174.94 171.96 1ghk s GLU 39 N -3.10 1.03 0.00 3.50 2.12 -0.22 -1.93 118.70 120.09 1ghk s GLU 39 Ca 0.14 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1ghk s GLU 39 Cb -0.03 -1.02 0.00 0.00 0.26 0.00 0.00 34.13 33.34 1ghk s GLU 39 CO 0.04 0.27 0.00 -2.37 -0.54 0.00 0.00 175.26 172.65 1ghk n THR 40 N 2.33 0.00 -0.06 -1.70 5.66 -1.01 -1.69 114.28 117.81 1ghk n THR 40 Ca -0.16 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.82 1ghk n THR 40 Cb 0.55 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.31 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 -0.41 -0.79 1.09 3.58 -2.00 -3.34 116.42 114.55 1ghk h ASP 41 Ca 0.00 0.06 -0.33 0.00 0.42 0.00 0.00 57.03 57.18 1ghk h ASP 41 Cb 0.00 0.18 -0.36 0.00 1.72 0.00 0.00 39.33 40.86 1ghk h ASP 41 CO 0.00 -0.06 -1.06 0.29 -2.88 0.00 0.00 179.24 175.53 1ghk n LYS 42 N -3.37 1.21 -3.56 0.28 4.01 -1.26 -5.06 118.16 110.42 1ghk n LYS 42 Ca -0.00 -3.05 -0.01 0.00 -0.51 0.00 0.00 58.31 54.74 1ghk n LYS 42 Cb 0.06 -1.09 -0.04 0.00 -0.51 0.00 0.00 35.03 33.45 1ghk n LYS 42 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1ghk s VAL 43 N -2.70 -0.96 -0.22 -0.18 1.01 -1.26 -5.14 120.40 110.95 1ghk s VAL 43 Ca 0.26 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 1ghk s VAL 43 Cb 0.44 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1ghk s VAL 43 CO 0.01 0.00 0.14 -0.69 0.00 0.00 0.00 175.10 174.57 1ghk s VAL 44 N 2.86 5.28 0.56 2.92 1.01 -1.26 -2.40 120.40 129.37 1ghk s VAL 44 Ca -0.00 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.19 1ghk s VAL 44 Cb -0.13 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 32.88 1ghk s VAL 44 CO -0.19 0.38 0.54 0.23 0.00 0.00 0.00 175.10 176.07 1ghk n MET 45 N 4.03 0.66 -4.18 2.72 2.81 -0.81 -4.96 117.12 117.39 1ghk n MET 45 Ca -0.15 -3.31 -0.16 0.00 -1.81 0.00 0.00 57.70 52.26 1ghk n MET 45 Cb 0.52 0.16 -0.13 0.00 -0.71 0.00 0.00 33.22 33.06 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 -4.37 0.67 -0.31 0.03 2.02 -1.26 -2.39 118.70 113.09 1ghk s GLU 46 Ca 0.41 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.73 1ghk s GLU 46 Cb -0.03 -0.58 0.07 0.00 0.10 0.00 0.00 34.13 33.69 1ghk s GLU 46 CO 0.26 0.13 -0.01 0.08 0.02 0.00 0.00 175.26 175.75 1ghk s VAL 47 N -0.99 2.55 0.46 2.63 1.01 0.42 -4.94 120.40 121.54 1ghk s VAL 47 Ca -0.03 -1.77 -0.03 0.00 0.00 0.00 0.00 61.98 60.15 1ghk s VAL 47 Cb -0.08 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1ghk s VAL 47 CO 0.01 -0.25 0.72 -0.76 0.00 0.00 0.00 175.10 174.82 1ghk s LEU 48 N 1.10 3.68 0.62 3.92 1.02 -1.26 -0.48 118.68 127.28 1ghk s LEU 48 Ca -0.02 0.67 -0.10 0.00 0.02 0.00 0.00 54.13 54.70 1ghk s LEU 48 Cb -0.20 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.41 1ghk s LEU 48 CO -0.04 -0.59 1.01 0.00 0.02 0.00 0.00 176.35 176.75 1ghk s ALA 49 N -2.63 3.11 -2.75 4.21 0.00 -0.95 -4.79 121.76 117.96 1ghk s ALA 49 Ca 0.46 -0.20 0.24 0.00 0.00 0.00 0.00 51.96 52.46 1ghk s ALA 49 Cb -0.10 -3.00 0.35 0.00 0.00 0.00 0.00 23.12 20.37 1ghk s ALA 49 CO 0.41 -0.73 1.35 -1.91 0.00 0.00 0.00 175.76 174.89 1ghk n GLU 50 N -2.73 2.35 0.00 0.00 0.00 -1.26 -4.22 120.64 114.77 1ghk n GLU 50 Ca 0.05 -1.99 0.00 0.00 0.00 0.00 0.00 57.16 55.23 1ghk n GLU 50 Cb 0.55 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.51 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 1.31 0.00 -0.81 4.31 0.00 -1.26 -4.92 120.51 119.14 1ghk n ALA 51 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.32 1ghk n ALA 51 Cb 0.58 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.26 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 1.38 0.00 0.00 -1.08 -1.26 -4.62 116.67 111.09 1ghk s ASP 52 Ca 0.00 1.26 0.00 0.00 -0.52 0.00 0.00 52.55 53.29 1ghk s ASP 52 Cb 0.00 -1.96 0.00 0.00 -1.46 0.00 0.00 42.92 39.50 1ghk s ASP 52 CO 0.00 -3.91 0.00 0.61 0.52 0.00 0.00 175.17 172.39 1ghk n GLY 53 N 0.00 -0.07 2.83 2.66 0.00 -1.26 -3.51 105.19 105.84 1ghk n GLY 53 Ca 0.04 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.03 -0.02 0.56 1.61 1.01 -1.25 -4.33 120.40 114.95 1ghk s VAL 54 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 1ghk s VAL 54 Cb 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 36.38 36.27 1ghk s VAL 54 CO 0.00 0.05 1.04 -0.63 0.00 0.00 0.00 175.10 175.55 1ghk s ILE 55 N 0.51 3.98 -0.05 2.22 -1.09 -1.26 -1.21 121.20 124.30 1ghk s ILE 55 Ca -0.04 0.99 -0.03 0.00 -2.23 0.00 0.00 60.65 59.33 1ghk s ILE 55 Cb -0.06 -3.47 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 1ghk s ILE 55 CO -0.01 -0.51 -0.06 0.00 -1.23 0.00 0.00 174.94 173.13 1ghk h ALA 56 N 0.73 0.00 -1.06 9.38 0.00 -1.62 -3.36 119.26 123.34 1ghk h ALA 56 Ca -0.47 -0.28 0.20 0.00 0.00 0.00 0.00 54.91 54.36 1ghk h ALA 56 Cb 1.21 0.16 -0.33 0.00 0.00 0.00 0.00 17.79 18.83 1ghk h ALA 56 CO 0.59 0.16 0.88 -1.21 0.00 0.00 0.00 179.25 179.67 1ghk s GLU 57 N -1.44 0.05 -0.04 0.00 0.41 -1.26 -4.77 118.70 111.65 1ghk s GLU 57 Ca -0.05 0.06 -0.13 0.00 -0.41 0.00 0.00 54.97 54.44 1ghk s GLU 57 Cb 0.01 0.02 -0.05 0.00 -1.78 0.00 0.00 34.13 32.33 1ghk s GLU 57 CO 0.07 -0.01 0.35 0.42 -0.49 0.00 0.00 175.26 175.60 1ghk s ILE 58 N 0.10 5.16 -0.28 -1.63 -1.09 -1.26 -3.95 121.20 118.24 1ghk s ILE 58 Ca 0.06 0.69 0.11 0.00 -2.23 0.00 0.00 60.65 59.28 1ghk s ILE 58 Cb -0.05 -3.65 -0.14 0.00 -1.58 0.00 0.00 42.46 37.05 1ghk s ILE 58 CO -0.15 0.56 0.35 0.52 -1.23 0.00 0.00 174.94 174.99 1ghk n VAL 59 N 2.08 0.00 -2.21 2.92 0.31 -0.48 -4.99 118.33 115.96 1ghk n VAL 59 Ca -0.15 -0.25 -0.06 0.00 -0.01 0.00 0.00 64.34 63.87 1ghk n VAL 59 Cb 0.53 0.66 0.03 0.00 -0.91 0.00 0.00 33.84 34.15 1ghk n VAL 59 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ghk n LYS 60 N -1.53 0.35 -4.10 5.55 4.76 -1.26 -5.08 118.16 116.85 1ghk n LYS 60 Ca 0.00 -0.65 -0.10 0.00 -2.87 0.00 0.00 58.31 54.68 1ghk n LYS 60 Cb 0.22 -0.18 -0.11 0.00 -1.84 0.00 0.00 35.03 33.12 1ghk n LYS 60 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1ghk s ASN 61 N -2.03 0.84 0.39 4.39 0.01 -1.26 -5.10 114.94 112.19 1ghk s ASN 61 Ca 0.17 -0.82 -0.25 0.00 -0.71 0.00 0.00 52.86 51.25 1ghk s ASN 61 Cb -0.01 0.10 -0.09 0.00 0.41 0.00 0.00 41.25 41.66 1ghk s ASN 61 CO 0.11 -0.39 1.13 -1.61 -1.51 0.00 0.00 177.10 174.83 1ghk s GLU 62 N -2.92 4.15 -1.87 -0.60 8.01 -1.26 -2.61 118.70 121.59 1ghk s GLU 62 Ca 0.02 1.75 0.00 0.00 0.01 0.00 0.00 54.97 56.74 1ghk s GLU 62 Cb -0.00 -2.70 0.00 0.00 -4.31 0.00 0.00 34.13 27.12 1ghk s GLU 62 CO -0.04 -0.21 0.00 0.41 0.01 0.00 0.00 175.26 175.43 1ghk n GLY 63 N 0.62 1.68 4.01 -1.39 0.00 -1.08 -4.94 105.19 104.08 1ghk n GLY 63 Ca 0.04 0.00 -0.18 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 -2.53 5.56 0.36 1.61 2.15 -1.07 -4.85 116.67 117.90 1ghk s ASP 64 Ca 0.00 -0.43 -0.09 0.00 0.43 0.00 0.00 52.55 52.46 1ghk s ASP 64 Cb 0.00 -0.57 -0.06 0.00 -0.30 0.00 0.00 42.92 41.99 1ghk s ASP 64 CO 0.00 -0.86 0.69 0.28 -0.17 0.00 0.00 175.17 175.11 1ghk s THR 65 N -2.42 4.86 0.26 1.71 -1.32 -1.26 -1.12 115.64 116.34 1ghk s THR 65 Ca 0.56 0.46 0.01 0.00 -1.21 0.00 0.00 61.69 61.51 1ghk s THR 65 Cb -0.10 -3.72 -0.03 0.00 -1.51 0.00 0.00 72.50 67.14 1ghk s THR 65 CO 0.34 -0.42 0.24 0.68 -2.21 0.00 0.00 174.62 173.25 1ghk s VAL 66 N -2.24 0.00 0.22 5.08 -7.23 -0.64 -4.78 120.40 110.82 1ghk s VAL 66 Ca 0.49 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1ghk s VAL 66 Cb -0.10 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 1ghk s VAL 66 CO 0.30 0.00 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.78 1ghk s LEU 67 N -3.23 2.46 0.45 1.32 0.20 -1.26 -3.49 118.68 115.12 1ghk s LEU 67 Ca 0.38 -1.11 -0.24 0.00 0.69 0.00 0.00 54.13 53.84 1ghk s LEU 67 Cb 0.04 -0.53 -0.09 0.00 -0.43 0.00 0.00 46.19 45.18 1ghk s LEU 67 CO 0.18 -0.32 1.23 -0.24 -0.29 0.00 0.00 176.35 176.91 1ghk n SER 68 N -0.42 2.28 -1.96 3.68 2.88 -1.26 -0.98 113.62 117.83 1ghk n SER 68 Ca -0.07 1.06 -0.20 0.00 -1.33 0.00 0.00 58.87 58.33 1ghk n SER 68 Cb 0.62 -1.48 -0.05 0.00 -0.75 0.00 0.00 64.21 62.55 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 0.88 0.79 3.58 0.46 0.00 -1.25 -4.89 105.19 104.77 1ghk n GLY 69 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.32 3.43 0.20 1.61 2.56 -0.15 -4.64 118.70 117.39 1ghk s GLU 70 Ca 0.00 0.24 -0.32 0.00 0.00 0.00 0.00 54.97 54.89 1ghk s GLU 70 Cb 0.00 -4.06 -0.11 0.00 2.00 0.00 0.00 34.13 31.96 1ghk s GLU 70 CO 0.00 -1.79 1.65 -1.17 -0.56 0.00 0.00 175.26 173.39 1ghk s LEU 71 N 5.28 4.37 0.00 2.70 2.96 -1.26 -1.63 118.68 131.09 1ghk s LEU 71 Ca 0.44 2.77 0.00 0.00 -0.22 0.00 0.00 54.13 57.12 1ghk s LEU 71 Cb -0.08 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1ghk s LEU 71 CO 0.24 -0.90 0.00 0.18 -1.32 0.00 0.00 176.35 174.55 1ghk n LEU 72 N 3.84 0.00 0.00 -0.68 4.77 -1.00 -4.74 117.00 119.20 1ghk n LEU 72 Ca 0.14 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 1ghk n LEU 72 Cb 0.37 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1ghk n LEU 72 CO 0.63 -0.44 0.03 0.61 -1.33 0.00 0.00 177.39 176.88 1ghk n GLY 73 N 1.69 2.81 3.24 -0.72 0.00 -1.23 -1.39 105.19 109.59 1ghk n GLY 73 Ca 0.00 -1.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.76 1.00 0.11 1.61 1.02 -1.25 -1.76 119.74 117.70 1ghk s LYS 74 Ca 0.25 -1.13 0.03 0.00 0.02 0.00 0.00 55.97 55.14 1ghk s LYS 74 Cb 0.00 -1.05 -0.04 0.00 -0.52 0.00 0.00 37.83 36.22 1ghk s LYS 74 CO 0.17 0.23 0.15 -1.17 -0.92 0.00 0.00 175.35 173.81 1ghk s LEU 75 N -2.05 3.99 0.44 3.17 2.96 -0.69 -1.58 118.68 124.93 1ghk s LEU 75 Ca 0.05 0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.07 1ghk s LEU 75 Cb -0.08 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 1ghk s LEU 75 CO 0.03 0.13 0.39 -0.89 -1.32 0.00 0.00 176.35 174.69 1ghk s THR 76 N -1.56 2.46 0.76 3.68 2.01 -0.35 -3.06 115.64 119.58 1ghk s THR 76 Ca 0.32 -1.37 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 1ghk s THR 76 Cb -0.12 -2.83 0.05 0.00 0.01 0.00 0.00 72.50 69.62 1ghk s THR 76 CO 0.25 0.00 1.14 -1.61 -0.69 0.00 0.00 174.62 173.70 1ghk s GLU 77 N -4.17 2.40 0.19 4.92 0.41 -1.26 -4.23 118.70 116.95 1ghk s GLU 77 Ca 0.46 0.31 0.00 0.00 -0.41 0.00 0.00 54.97 55.33 1ghk s GLU 77 Cb -0.03 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 1ghk s GLU 77 CO 0.27 -1.33 0.00 0.41 -0.49 0.00 0.00 175.26 174.12 1ghk n GLY 78 N -3.10 -0.94 0.00 -1.39 0.00 -1.23 -3.83 105.19 94.70 1ghk n GLY 78 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93