#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 0.21 0.76 0.00 1.01 -1.04 -4.96 121.20 117.18 1ghk s ILE 2 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.63 1ghk s ILE 2 Cb 0.00 -0.33 0.06 0.00 0.01 0.00 0.00 42.46 42.19 1ghk s ILE 2 CO 0.00 0.18 1.22 -0.62 0.00 0.00 0.00 174.94 175.72 1ghk s ASP 3 N 1.40 3.93 -0.35 3.58 2.15 -1.26 -1.59 116.67 124.52 1ghk s ASP 3 Ca -0.04 2.40 0.03 0.00 0.43 0.00 0.00 52.55 55.36 1ghk s ASP 3 Cb -0.13 -2.59 0.10 0.00 -0.30 0.00 0.00 42.92 40.00 1ghk s ASP 3 CO -0.03 -2.44 0.09 -0.63 -0.17 0.00 0.00 175.17 171.99 1ghk s ILE 4 N -1.99 1.90 0.18 4.11 1.01 -0.72 -4.80 121.20 120.89 1ghk s ILE 4 Ca 0.75 -2.20 0.10 0.00 0.00 0.00 0.00 60.65 59.30 1ghk s ILE 4 Cb -0.30 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 1ghk s ILE 4 CO 0.47 -0.65 -0.21 -0.54 0.00 0.00 0.00 174.94 174.01 1ghk s LYS 5 N 0.95 1.40 0.68 2.79 1.02 -1.26 -1.77 119.74 123.56 1ghk s LYS 5 Ca 0.12 -1.47 -0.11 0.00 0.02 0.00 0.00 55.97 54.52 1ghk s LYS 5 Cb -0.19 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1ghk s LYS 5 CO -0.11 0.34 1.07 0.00 -0.92 0.00 0.00 175.35 175.72 1ghk s ALA 6 N -1.86 2.87 0.64 5.17 0.00 -0.90 -4.90 121.76 122.79 1ghk s ALA 6 Ca 0.18 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 1ghk s ALA 6 Cb -0.07 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1ghk s ALA 6 CO 0.08 -1.05 1.04 -1.25 0.00 0.00 0.00 175.76 174.58 1ghk s PRO 7 N -5.24 3.37 0.33 0.00 0.04 -1.26 -2.86 135.00 129.38 1ghk s PRO 7 Ca 0.57 0.85 -0.27 0.00 0.04 0.00 0.00 61.00 62.19 1ghk s PRO 7 Cb -0.12 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 1ghk s PRO 7 CO 0.53 -0.75 1.10 0.99 0.04 0.00 0.00 177.00 178.91 1ghk s THR 8 N -3.08 3.47 0.38 1.26 2.01 -1.26 -4.22 115.64 114.20 1ghk s THR 8 Ca 0.57 1.34 -0.05 0.00 0.31 0.00 0.00 61.69 63.85 1ghk s THR 8 Cb -0.12 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1ghk s THR 8 CO 0.53 0.21 0.66 -0.36 -0.69 0.00 0.00 174.62 174.97 1ghk s PHE 9 N -1.34 3.50 0.00 4.92 0.08 -1.26 -5.04 117.98 118.83 1ghk s PHE 9 Ca 0.50 0.73 0.00 0.00 0.12 0.00 0.00 56.93 58.29 1ghk s PHE 9 Cb -0.29 -2.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.96 1ghk s PHE 9 CO 0.37 -0.02 0.00 -0.35 -0.10 0.00 0.00 175.22 175.12 1ghk n PRO 10 N -1.51 0.14 0.04 0.24 -0.04 -1.26 -4.97 135.00 127.65 1ghk n PRO 10 Ca -0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.37 1ghk n PRO 10 Cb 0.55 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.20 -0.83 0.54 4.81 -2.02 -3.32 114.58 113.56 1ghk h GLU 11 Ca 0.00 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.39 1ghk h GLU 11 Cb 0.00 0.05 -0.15 0.00 0.63 0.00 0.00 28.75 29.28 1ghk h GLU 11 CO 0.00 0.14 -0.32 1.03 -0.73 0.00 0.00 179.01 179.14 1ghk h SER 12 N -0.97 -1.15 -3.18 1.04 0.87 -2.05 -3.38 113.55 104.74 1ghk h SER 12 Ca -0.02 0.27 -0.58 0.00 -1.23 0.00 0.00 61.79 60.23 1ghk h SER 12 Cb 0.44 0.63 -0.04 0.00 -0.44 0.00 0.00 62.40 62.99 1ghk h SER 12 CO 0.03 -0.29 -0.25 -0.63 -0.53 0.00 0.00 176.83 175.16 1ghk s ILE 13 N -6.06 5.09 0.00 2.23 1.01 -1.25 -4.98 121.20 117.24 1ghk s ILE 13 Ca -0.14 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1ghk s ILE 13 Cb 0.20 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1ghk s ILE 13 CO 0.72 0.15 0.72 0.00 0.00 0.00 0.00 174.94 176.54 1ghk n ALA 14 N 0.49 1.84 0.00 9.38 0.00 -1.26 -3.98 120.51 126.98 1ghk n ALA 14 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1ghk n ALA 14 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.26 0.00 0.00 0.00 5.68 -1.26 -4.81 116.55 115.91 1ghk n ASP 15 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ghk n ASP 15 Cb 0.22 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 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 -0.01 3.67 3.23 6.12 0.00 -1.22 -4.78 105.19 112.19 1ghk n GLY 16 Ca 0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.96 -0.01 0.90 2.61 2.01 -1.19 -1.36 115.64 116.64 1ghk s THR 17 Ca 0.00 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.93 1ghk s THR 17 Cb 0.00 -0.52 0.07 0.00 0.01 0.00 0.00 72.50 72.06 1ghk s THR 17 CO 0.00 0.02 0.78 0.52 -0.69 0.00 0.00 174.62 175.25 1ghk n VAL 18 N 3.52 0.49 0.00 3.82 0.31 -0.86 -0.44 118.33 125.17 1ghk n VAL 18 Ca -0.18 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1ghk n VAL 18 Cb 0.56 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 -3.65 0.22 -3.63 3.52 0.00 -0.92 -3.82 120.51 112.23 1ghk n ALA 19 Ca 0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 1ghk n ALA 19 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.32 0.00 -1.12 0.00 2.01 -1.26 -4.49 115.64 110.46 1ghk s THR 20 Ca 0.00 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 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 1.33 0.26 -0.69 0.00 0.00 174.62 175.52 1ghk s TRP 21 N 0.81 3.41 0.02 4.92 0.52 -1.26 -2.74 118.94 124.62 1ghk s TRP 21 Ca -0.03 -1.93 -0.05 0.00 0.02 0.00 0.00 56.10 54.10 1ghk s TRP 21 Cb -0.05 -4.29 -0.02 0.00 -1.15 0.00 0.00 33.47 27.97 1ghk s TRP 21 CO -0.06 -1.41 1.09 0.45 0.02 0.00 0.00 176.95 177.04 1ghk h HIS 22 N 7.64 -0.30 -3.58 -1.98 3.86 -1.96 -3.42 115.15 115.41 1ghk h HIS 22 Ca 0.26 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.40 1ghk h HIS 22 Cb 0.92 0.15 0.02 0.00 1.06 0.00 0.00 27.41 29.55 1ghk h HIS 22 CO 1.11 -0.07 0.03 1.63 0.86 0.00 0.00 177.93 181.49 1ghk n LYS 23 N -3.26 0.39 -4.16 2.45 5.02 -1.26 -5.12 118.16 112.22 1ghk n LYS 23 Ca -0.00 -0.55 -0.11 0.00 -2.02 0.00 0.00 58.31 55.63 1ghk n LYS 23 Cb 0.05 -0.15 -0.10 0.00 -0.02 0.00 0.00 35.03 34.81 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 -3.01 1.13 -0.05 1.97 1.02 -1.26 -5.02 119.74 114.52 1ghk s LYS 24 Ca 0.14 -1.52 -0.30 0.00 0.02 0.00 0.00 55.97 54.31 1ghk s LYS 24 Cb -0.01 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.55 1ghk s LYS 24 CO 0.09 -0.37 1.15 -1.25 -0.92 0.00 0.00 175.35 174.05 1ghk s PRO 25 N -4.11 4.39 0.00 -1.68 0.04 -1.26 -3.70 135.00 128.68 1ghk s PRO 25 Ca 0.32 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1ghk s PRO 25 Cb 0.06 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1ghk s PRO 25 CO 0.08 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1ghk n GLY 26 N 3.27 1.47 0.82 0.56 0.00 -1.26 -4.95 105.19 105.10 1ghk n GLY 26 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.28 1.03 -3.12 1.61 -0.58 -1.24 -5.05 120.64 113.01 1ghk n GLU 27 Ca 0.00 -0.84 -0.20 0.00 -0.42 0.00 0.00 57.16 55.69 1ghk n GLU 27 Cb 0.00 0.41 0.06 0.00 -0.57 0.00 0.00 31.44 31.34 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 -2.26 4.71 0.17 0.62 0.00 -1.26 -4.05 121.76 119.70 1ghk s ALA 28 Ca 0.04 -2.10 -0.08 0.00 0.00 0.00 0.00 51.96 49.81 1ghk s ALA 28 Cb 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 1ghk s ALA 28 CO 0.03 -0.88 0.28 0.08 0.00 0.00 0.00 175.76 175.27 1ghk s VAL 29 N -2.71 0.06 -0.12 0.00 1.01 -1.23 -4.93 120.40 112.48 1ghk s VAL 29 Ca 0.60 -1.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 1ghk s VAL 29 Cb -0.05 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1ghk s VAL 29 CO 0.38 -0.26 -0.10 -0.54 0.00 0.00 0.00 175.10 174.58 1ghk s LYS 30 N -3.99 3.28 -0.37 2.72 3.01 -1.26 -4.26 119.74 118.87 1ghk s LYS 30 Ca 0.19 -0.63 -0.44 0.00 -1.01 0.00 0.00 55.97 54.09 1ghk s LYS 30 Cb 0.03 -2.67 -0.18 0.00 -1.01 0.00 0.00 37.83 34.00 1ghk s LYS 30 CO 0.02 0.33 1.61 0.54 0.51 0.00 0.00 175.35 178.35 1ghk n ARG 31 N 3.22 0.43 -2.22 1.68 1.74 -1.26 -1.46 116.66 118.79 1ghk n ARG 31 Ca -0.18 0.16 -0.05 0.00 -0.77 0.00 0.00 57.85 57.01 1ghk n ARG 31 Cb 0.53 -1.73 0.02 0.00 -1.02 0.00 0.00 32.46 30.26 1ghk n ARG 31 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ghk n ASP 32 N 4.27 -2.74 -3.92 0.55 -0.08 -1.26 -4.83 116.55 108.54 1ghk n ASP 32 Ca 0.28 -0.20 -0.23 0.00 -1.51 0.00 0.00 54.79 53.13 1ghk n ASP 32 Cb 0.02 -1.92 -0.17 0.00 2.34 0.00 0.00 41.12 41.40 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 -3.90 1.22 1.00 -0.67 2.56 -0.53 -4.94 118.70 113.44 1ghk s GLU 33 Ca 0.07 -0.21 -0.18 0.00 0.00 0.00 0.00 54.97 54.66 1ghk s GLU 33 Cb -0.01 -1.19 -0.11 0.00 2.00 0.00 0.00 34.13 34.82 1ghk s GLU 33 CO 0.22 -0.11 -0.64 -0.11 -0.56 0.00 0.00 175.26 174.06 1ghk n LEU 34 N 4.30 -4.39 0.00 2.70 7.94 -1.26 -2.65 117.00 123.64 1ghk n LEU 34 Ca -0.19 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1ghk n LEU 34 Cb 0.51 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.64 1ghk n LEU 34 CO 0.21 -5.01 0.00 -0.38 -1.11 0.00 0.00 177.39 171.10 1ghk n ILE 35 N -2.92 0.00 -3.71 1.96 2.08 -0.12 -4.68 119.36 111.97 1ghk n ILE 35 Ca -0.00 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.18 1ghk n ILE 35 Cb 0.58 -0.10 -0.10 0.00 -0.75 0.00 0.00 39.64 39.28 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 0.30 1.39 0.11 -1.04 -3.70 120.40 116.20 1ghk s VAL 36 Ca 0.00 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 1ghk s VAL 36 Cb 0.00 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1ghk s VAL 36 CO 0.00 0.01 0.41 -1.81 -3.33 0.00 0.00 175.10 170.38 1ghk s ASP 37 N 0.57 6.03 0.12 3.54 1.01 -1.11 0.10 116.67 126.92 1ghk s ASP 37 Ca -0.03 -0.12 0.06 0.00 0.71 0.00 0.00 52.55 53.17 1ghk s ASP 37 Cb -0.04 -1.44 -0.04 0.00 1.01 0.00 0.00 42.92 42.41 1ghk s ASP 37 CO -0.03 -0.28 -0.14 -0.63 0.21 0.00 0.00 175.17 174.30 1ghk s ILE 38 N -2.11 1.27 0.11 0.77 1.01 -0.86 -2.17 121.20 119.22 1ghk s ILE 38 Ca 0.40 -1.68 0.09 0.00 0.00 0.00 0.00 60.65 59.47 1ghk s ILE 38 Cb -0.09 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1ghk s ILE 38 CO 0.30 -0.42 -0.19 -0.70 0.00 0.00 0.00 174.94 173.93 1ghk s GLU 39 N -2.61 1.77 0.32 2.79 2.12 0.42 -1.99 118.70 121.52 1ghk s GLU 39 Ca 0.08 -1.18 0.03 0.00 0.36 0.00 0.00 54.97 54.26 1ghk s GLU 39 Cb -0.05 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 1ghk s GLU 39 CO 0.03 0.48 0.14 0.99 -0.54 0.00 0.00 175.26 176.36 1ghk s THR 40 N -1.12 0.47 0.08 -1.70 2.01 0.19 -3.15 115.64 112.41 1ghk s THR 40 Ca 0.17 -2.00 -0.17 0.00 0.31 0.00 0.00 61.69 60.00 1ghk s THR 40 Cb -0.11 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 1ghk s THR 40 CO 0.09 0.00 1.29 -0.78 -0.69 0.00 0.00 174.62 174.53 1ghk h ASP 41 N 2.13 -1.08 -0.51 3.53 1.82 -2.00 -3.26 116.42 117.05 1ghk h ASP 41 Ca -0.35 0.15 -0.33 0.00 -0.39 0.00 0.00 57.03 56.12 1ghk h ASP 41 Cb 1.25 0.46 -0.41 0.00 0.68 0.00 0.00 39.33 41.32 1ghk h ASP 41 CO 0.55 -0.17 -1.03 0.29 -1.61 0.00 0.00 179.24 177.27 1ghk n LYS 42 N -4.16 2.25 -3.67 0.28 5.02 -1.26 -5.06 118.16 111.56 1ghk n LYS 42 Ca -0.00 -3.67 -0.14 0.00 -2.02 0.00 0.00 58.31 52.47 1ghk n LYS 42 Cb 0.16 -1.78 -0.08 0.00 -0.02 0.00 0.00 35.03 33.31 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 -3.97 0.01 -0.07 -0.18 1.01 -1.23 -5.16 120.40 110.81 1ghk s VAL 43 Ca 0.34 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1ghk s VAL 43 Cb 0.35 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1ghk s VAL 43 CO -0.02 -0.04 -0.17 -0.69 0.00 0.00 0.00 175.10 174.18 1ghk s VAL 44 N -0.27 2.78 0.50 2.92 1.01 -1.26 -0.64 120.40 125.43 1ghk s VAL 44 Ca -0.04 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1ghk s VAL 44 Cb -0.03 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1ghk s VAL 44 CO 0.03 0.57 0.02 -0.04 0.00 0.00 0.00 175.10 175.68 1ghk s MET 45 N -0.31 2.16 0.08 2.72 -1.94 -0.84 -5.01 119.30 116.16 1ghk s MET 45 Ca 0.02 -2.37 0.01 0.00 -1.71 0.00 0.00 55.69 51.64 1ghk s MET 45 Cb -0.13 -1.41 -0.04 0.00 2.01 0.00 0.00 34.83 35.26 1ghk s MET 45 CO 0.03 -0.37 -0.05 -1.21 -0.01 0.00 0.00 175.02 173.40 1ghk s GLU 46 N -3.85 0.76 -0.28 2.03 2.02 -1.26 -2.03 118.70 116.08 1ghk s GLU 46 Ca 0.08 -1.30 0.01 0.00 0.02 0.00 0.00 54.97 53.78 1ghk s GLU 46 Cb 0.02 -0.06 0.08 0.00 0.10 0.00 0.00 34.13 34.27 1ghk s GLU 46 CO 0.05 -0.05 0.02 0.08 0.02 0.00 0.00 175.26 175.38 1ghk s VAL 47 N -3.73 1.40 0.29 2.63 1.01 0.11 -4.85 120.40 117.26 1ghk s VAL 47 Ca 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1ghk s VAL 47 Cb 0.06 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1ghk s VAL 47 CO -0.07 -0.40 0.48 -0.76 0.00 0.00 0.00 175.10 174.36 1ghk s LEU 48 N 1.40 4.11 0.61 3.92 1.02 -1.26 -0.94 118.68 127.54 1ghk s LEU 48 Ca 0.03 0.41 -0.09 0.00 0.02 0.00 0.00 54.13 54.50 1ghk s LEU 48 Cb -0.18 -3.23 -0.02 0.00 0.02 0.00 0.00 46.19 42.78 1ghk s LEU 48 CO -0.13 -0.19 0.97 0.00 0.02 0.00 0.00 176.35 177.03 1ghk s ALA 49 N -2.14 3.15 -2.39 4.21 0.00 -1.08 -4.86 121.76 118.64 1ghk s ALA 49 Ca 0.39 -0.34 0.28 0.00 0.00 0.00 0.00 51.96 52.29 1ghk s ALA 49 Cb -0.10 -2.88 1.08 0.00 0.00 0.00 0.00 23.12 21.22 1ghk s ALA 49 CO 0.33 -0.75 1.76 -1.91 0.00 0.00 0.00 175.76 175.19 1ghk n GLU 50 N -2.69 1.54 0.00 0.00 0.00 -1.26 -4.13 120.64 114.11 1ghk n GLU 50 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 57.16 56.36 1ghk n GLU 50 Cb 0.56 -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 0.01 0.00 -0.60 4.31 0.00 -1.26 -4.72 120.51 118.26 1ghk n ALA 51 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 1ghk n ALA 51 Cb 0.34 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.98 1ghk n ALA 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ghk n ASP 52 N 0.00 -2.42 0.00 0.00 -0.08 -1.26 -4.64 116.55 108.15 1ghk n ASP 52 Ca 0.00 -0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1ghk n ASP 52 Cb 0.00 -0.99 0.00 0.00 2.34 0.00 0.00 41.12 42.47 1ghk n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ghk n GLY 53 N 1.90 -0.15 2.79 0.27 0.00 -1.26 -4.78 105.19 103.95 1ghk n GLY 53 Ca 0.02 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.91 0.32 1.07 1.61 1.01 -0.55 -3.49 120.40 116.46 1ghk s VAL 54 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1ghk s VAL 54 Cb 0.00 -0.45 0.23 0.00 0.00 0.00 0.00 36.38 36.16 1ghk s VAL 54 CO 0.00 0.23 1.07 -0.63 0.00 0.00 0.00 175.10 175.76 1ghk s ILE 55 N 1.67 2.08 -0.03 2.22 -1.09 -1.26 -0.82 121.20 123.98 1ghk s ILE 55 Ca 0.00 0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.41 1ghk s ILE 55 Cb -0.13 -2.11 -0.01 0.00 -1.58 0.00 0.00 42.46 38.63 1ghk s ILE 55 CO -0.04 -0.04 -0.07 0.00 -1.23 0.00 0.00 174.94 173.57 1ghk n ALA 56 N -4.65 1.00 -3.61 9.38 0.00 -0.25 -4.31 120.51 118.07 1ghk n ALA 56 Ca 0.06 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 1ghk n ALA 56 Cb 0.54 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.46 0.29 0.28 0.00 -6.30 -1.26 -4.59 118.70 105.65 1ghk s GLU 57 Ca -0.06 0.07 -0.09 0.00 -2.50 0.00 0.00 54.97 52.39 1ghk s GLU 57 Cb 0.01 0.14 -0.07 0.00 0.00 0.00 0.00 34.13 34.21 1ghk s GLU 57 CO 0.09 -0.09 0.60 0.42 0.02 0.00 0.00 175.26 176.30 1ghk s ILE 58 N -1.07 4.91 -0.05 -3.70 1.01 -1.26 -3.75 121.20 117.28 1ghk s ILE 58 Ca 0.04 0.45 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 1ghk s ILE 58 Cb -0.01 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1ghk s ILE 58 CO -0.04 -0.20 -0.09 0.52 0.00 0.00 0.00 174.94 175.13 1ghk n VAL 59 N -0.50 0.44 -2.29 2.92 0.31 -0.41 -4.91 118.33 113.90 1ghk n VAL 59 Ca 0.01 0.40 -0.02 0.00 -0.01 0.00 0.00 64.34 64.72 1ghk n VAL 59 Cb 0.53 -1.76 0.01 0.00 -0.91 0.00 0.00 33.84 31.71 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 -3.05 0.58 -4.49 5.55 4.76 -1.26 -5.09 118.16 115.15 1ghk n LYS 60 Ca -0.04 -0.20 -0.23 0.00 -2.87 0.00 0.00 58.31 54.97 1ghk n LYS 60 Cb 0.13 -0.05 -0.11 0.00 -1.84 0.00 0.00 35.03 33.17 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 -1.30 2.88 0.58 4.39 0.01 -1.26 -5.09 114.94 115.15 1ghk s ASN 61 Ca 0.05 -1.32 -0.19 0.00 -0.71 0.00 0.00 52.86 50.68 1ghk s ASN 61 Cb -0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.42 1ghk s ASN 61 CO 0.03 -0.49 1.20 -1.61 -1.51 0.00 0.00 177.10 174.72 1ghk s GLU 62 N -3.80 3.06 0.00 -0.60 8.01 -1.26 -2.62 118.70 121.49 1ghk s GLU 62 Ca 0.34 1.80 0.00 0.00 0.01 0.00 0.00 54.97 57.12 1ghk s GLU 62 Cb 0.08 -1.96 0.00 0.00 -4.31 0.00 0.00 34.13 27.93 1ghk s GLU 62 CO 0.15 -1.13 0.00 0.41 0.01 0.00 0.00 175.26 174.71 1ghk n GLY 63 N 0.46 0.75 4.01 -1.39 0.00 -1.25 -4.99 105.19 102.79 1ghk n GLY 63 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.51 5.60 -0.20 1.61 -1.08 -1.08 -4.91 116.67 114.11 1ghk s ASP 64 Ca 0.00 -0.46 -0.15 0.00 -0.52 0.00 0.00 52.55 51.42 1ghk s ASP 64 Cb 0.00 -0.56 -0.04 0.00 -1.46 0.00 0.00 42.92 40.86 1ghk s ASP 64 CO 0.00 -0.82 0.35 -0.89 0.52 0.00 0.00 175.17 174.32 1ghk s THR 65 N -2.39 5.24 0.73 1.71 2.01 -1.26 -2.02 115.64 119.66 1ghk s THR 65 Ca 0.56 0.61 -0.03 0.00 0.31 0.00 0.00 61.69 63.13 1ghk s THR 65 Cb -0.10 -3.68 0.12 0.00 0.01 0.00 0.00 72.50 68.86 1ghk s THR 65 CO 0.34 0.29 1.02 0.68 -0.69 0.00 0.00 174.62 176.26 1ghk s VAL 66 N 1.09 2.18 0.12 3.82 -7.23 -0.46 -4.91 120.40 115.02 1ghk s VAL 66 Ca 0.17 -0.50 -0.04 0.00 -1.81 0.00 0.00 61.98 59.81 1ghk s VAL 66 Cb -0.14 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 1ghk s VAL 66 CO 0.07 0.00 0.11 -0.22 -0.31 0.00 0.00 175.10 174.75 1ghk s LEU 67 N -5.21 1.64 0.25 1.32 0.20 -1.26 -3.44 118.68 112.18 1ghk s LEU 67 Ca 0.66 -1.05 -0.31 0.00 0.69 0.00 0.00 54.13 54.12 1ghk s LEU 67 Cb -0.06 0.57 -0.12 0.00 -0.43 0.00 0.00 46.19 46.15 1ghk s LEU 67 CO 0.45 -0.75 1.59 -0.24 -0.29 0.00 0.00 176.35 177.10 1ghk n SER 68 N -0.09 3.57 -1.70 3.68 2.88 -1.26 -0.73 113.62 119.97 1ghk n SER 68 Ca -0.08 1.12 -0.18 0.00 -1.33 0.00 0.00 58.87 58.40 1ghk n SER 68 Cb 0.63 -1.53 -0.05 0.00 -0.75 0.00 0.00 64.21 62.51 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 2.75 0.79 3.66 0.46 0.00 -1.14 -4.91 105.19 106.80 1ghk n GLY 69 Ca 0.12 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.16 4.19 -0.45 1.61 2.56 0.10 -4.71 118.70 117.83 1ghk s GLU 70 Ca 0.00 1.74 -0.29 0.00 0.00 0.00 0.00 54.97 56.43 1ghk s GLU 70 Cb 0.00 -3.82 0.01 0.00 2.00 0.00 0.00 34.13 32.32 1ghk s GLU 70 CO 0.00 -0.78 1.38 -1.17 -0.56 0.00 0.00 175.26 174.13 1ghk s LEU 71 N 3.71 3.55 0.01 2.70 0.20 -1.26 -2.11 118.68 125.49 1ghk s LEU 71 Ca 0.59 0.67 0.25 0.00 0.69 0.00 0.00 54.13 56.33 1ghk s LEU 71 Cb -0.24 -3.45 0.57 0.00 -0.43 0.00 0.00 46.19 42.64 1ghk s LEU 71 CO 0.18 -1.47 1.46 0.18 -0.29 0.00 0.00 176.35 176.42 1ghk n LEU 72 N 8.85 0.46 0.00 -0.68 4.77 -0.73 -4.49 117.00 125.18 1ghk n LEU 72 Ca 0.15 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1ghk n LEU 72 Cb 0.48 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1ghk n LEU 72 CO 0.71 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1ghk n GLY 73 N 1.49 -1.84 2.99 -0.72 0.00 -1.21 -1.28 105.19 104.61 1ghk n GLY 73 Ca 0.05 -1.36 -0.10 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 -1.93 0.35 0.01 1.61 1.02 -1.25 -1.75 119.74 117.79 1ghk s LYS 74 Ca 0.00 -0.60 -0.02 0.00 0.02 0.00 0.00 55.97 55.37 1ghk s LYS 74 Cb 0.00 -0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 1ghk s LYS 74 CO 0.00 -0.02 0.18 -1.17 -0.92 0.00 0.00 175.35 173.43 1ghk s LEU 75 N -1.36 4.34 0.44 3.17 2.96 -0.62 -1.09 118.68 126.51 1ghk s LEU 75 Ca -0.13 0.32 0.06 0.00 -0.22 0.00 0.00 54.13 54.16 1ghk s LEU 75 Cb -0.09 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 1ghk s LEU 75 CO -0.01 0.24 0.18 -0.89 -1.32 0.00 0.00 176.35 174.56 1ghk s THR 76 N -1.36 2.08 0.00 3.68 2.01 -0.00 -2.48 115.64 119.57 1ghk s THR 76 Ca 0.29 -1.72 0.00 0.00 0.31 0.00 0.00 61.69 60.57 1ghk s THR 76 Cb -0.13 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1ghk s THR 76 CO 0.20 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.51 1ghk n GLU 77 N -1.29 3.02 0.00 4.92 1.02 -1.26 -3.14 120.64 123.91 1ghk n GLU 77 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1ghk n GLU 77 Cb 0.65 0.00 0.00 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 4.49 3.84 0.00 0.62 0.00 -1.26 -1.48 105.19 111.40 1ghk n GLY 78 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93