#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 0.89 0.05 0.00 1.09 -1.06 -5.01 121.20 117.17 1ghk s ILE 2 Ca 0.00 -2.11 -0.32 0.00 -1.10 0.00 0.00 60.65 57.12 1ghk s ILE 2 Cb 0.00 -1.64 -0.11 0.00 -1.06 0.00 0.00 42.46 39.65 1ghk s ILE 2 CO 0.00 -0.90 1.85 -0.67 -0.10 0.00 0.00 174.94 175.12 1ghk n ASP 3 N 3.89 3.78 -4.61 3.58 -0.08 -1.26 -2.23 116.55 119.62 1ghk n ASP 3 Ca 0.08 0.98 -0.38 0.00 -1.51 0.00 0.00 54.79 53.96 1ghk n ASP 3 Cb 0.36 -1.48 -0.10 0.00 2.34 0.00 0.00 41.12 42.25 1ghk n ASP 3 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1ghk s ILE 4 N 3.25 5.28 0.21 5.18 1.01 -0.14 -4.91 121.20 131.08 1ghk s ILE 4 Ca 0.86 0.29 -0.08 0.00 0.00 0.00 0.00 60.65 61.72 1ghk s ILE 4 Cb -0.56 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 1ghk s ILE 4 CO 0.43 0.25 0.32 -1.59 0.00 0.00 0.00 174.94 174.34 1ghk s LYS 5 N 1.66 1.33 0.53 2.79 -2.85 -1.26 -2.05 119.74 119.89 1ghk s LYS 5 Ca 0.10 -1.34 -0.19 0.00 -1.00 0.00 0.00 55.97 53.54 1ghk s LYS 5 Cb -0.15 0.38 -0.06 0.00 -2.06 0.00 0.00 37.83 35.94 1ghk s LYS 5 CO 0.09 -0.50 1.08 0.00 0.10 0.00 0.00 175.35 176.12 1ghk s ALA 6 N -4.04 2.76 -0.03 0.59 0.00 -0.79 -4.87 121.76 115.38 1ghk s ALA 6 Ca 0.25 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1ghk s ALA 6 Cb 0.03 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1ghk s ALA 6 CO 0.07 -0.62 1.07 -1.25 0.00 0.00 0.00 175.76 175.03 1ghk s PRO 7 N -3.41 4.46 0.35 0.00 0.04 -1.26 -3.46 135.00 131.72 1ghk s PRO 7 Ca 0.69 1.53 -0.25 0.00 0.04 0.00 0.00 61.00 63.01 1ghk s PRO 7 Cb -0.20 -3.48 -0.14 0.00 0.04 0.00 0.00 34.50 30.73 1ghk s PRO 7 CO 0.26 -0.24 0.63 -2.37 0.04 0.00 0.00 177.00 175.32 1ghk n THR 8 N 4.22 1.81 -4.01 1.26 5.66 -1.26 -4.73 114.28 117.23 1ghk n THR 8 Ca 0.08 -0.50 -0.27 0.00 -3.05 0.00 0.00 64.05 60.32 1ghk n THR 8 Cb 0.49 -0.53 -0.04 0.00 -1.55 0.00 0.00 70.33 68.69 1ghk n THR 8 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1ghk s PHE 9 N -1.31 3.32 0.73 1.09 0.08 -1.26 -5.04 117.98 115.58 1ghk s PHE 9 Ca 0.62 0.06 -0.11 0.00 0.12 0.00 0.00 56.93 57.62 1ghk s PHE 9 Cb -0.68 -1.60 0.03 0.00 -0.57 0.00 0.00 43.02 40.20 1ghk s PHE 9 CO 0.58 0.52 1.09 -1.25 -0.10 0.00 0.00 175.22 176.06 1ghk s PRO 10 N -3.11 2.70 0.23 0.24 0.04 -1.25 -4.91 135.00 128.93 1ghk s PRO 10 Ca 0.33 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.84 1ghk s PRO 10 Cb -0.11 -1.99 0.30 0.00 0.04 0.00 0.00 34.50 32.74 1ghk s PRO 10 CO 0.26 -1.18 1.61 1.05 0.04 0.00 0.00 177.00 178.79 1ghk h GLU 11 N -0.76 0.01 -0.68 4.56 4.11 -2.03 -0.88 114.58 118.91 1ghk h GLU 11 Ca -0.45 -0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.04 1ghk h GLU 11 Cb 1.25 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 1ghk h GLU 11 CO 0.62 0.01 -0.57 1.03 0.07 0.00 0.00 179.01 180.16 1ghk h SER 12 N 0.01 -2.01 -3.29 3.06 0.87 -2.04 -3.37 113.55 106.79 1ghk h SER 12 Ca 0.35 0.28 -0.57 0.00 -1.23 0.00 0.00 61.79 60.62 1ghk h SER 12 Cb 0.54 0.85 -0.06 0.00 -0.44 0.00 0.00 62.40 63.29 1ghk h SER 12 CO -0.73 -0.33 -0.07 -0.63 -0.53 0.00 0.00 176.83 174.55 1ghk s ILE 13 N -5.58 5.05 -0.26 2.23 1.09 -0.33 -4.95 121.20 118.44 1ghk s ILE 13 Ca -0.13 1.11 0.12 0.00 -1.10 0.00 0.00 60.65 60.64 1ghk s ILE 13 Cb 0.10 -3.87 0.52 0.00 -1.06 0.00 0.00 42.46 38.14 1ghk s ILE 13 CO 0.62 0.38 1.47 0.00 -0.10 0.00 0.00 174.94 177.30 1ghk n ALA 14 N 3.13 3.86 0.00 9.38 0.00 -1.26 -3.94 120.51 131.67 1ghk n ALA 14 Ca -0.07 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1ghk n ALA 14 Cb 0.51 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.91 0.00 -1.93 0.00 5.68 -1.26 -4.86 116.55 113.27 1ghk n ASP 15 Ca 0.30 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.54 1ghk n ASP 15 Cb 1.01 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 41.00 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 -0.02 1.56 3.17 6.12 0.00 -1.15 -4.79 105.19 110.08 1ghk n GLY 16 Ca 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.54 -0.42 1.07 2.61 2.01 -0.69 -1.46 115.64 116.22 1ghk s THR 17 Ca 0.09 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 1ghk s THR 17 Cb -0.02 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.92 1ghk s THR 17 CO 0.06 0.08 -0.47 0.52 -0.69 0.00 0.00 174.62 174.13 1ghk n VAL 18 N 5.08 0.00 0.00 3.82 0.31 -0.50 -0.50 118.33 126.55 1ghk n VAL 18 Ca -0.12 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1ghk n VAL 18 Cb 0.51 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 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 -4.05 1.45 -3.63 3.52 0.00 -0.69 -3.17 120.51 113.93 1ghk n ALA 19 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1ghk n ALA 19 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.61 0.00 -1.11 0.00 2.01 -1.25 -3.35 115.64 111.32 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 1.32 0.26 -0.69 0.00 0.00 174.62 175.51 1ghk s TRP 21 N 0.95 3.40 0.00 4.92 0.52 -1.26 -2.76 118.94 124.71 1ghk s TRP 21 Ca -0.05 -1.91 0.00 0.00 0.02 0.00 0.00 56.10 54.16 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 -1.41 0.96 0.72 0.02 0.00 0.00 176.95 177.15 1ghk n HIS 22 N 5.85 0.00 -2.81 -1.98 8.25 -1.25 -4.67 115.22 118.61 1ghk n HIS 22 Ca 0.32 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.74 1ghk n HIS 22 Cb 0.45 -0.46 0.01 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.69 0.80 -4.38 -0.41 4.01 -1.26 -5.13 118.16 109.10 1ghk n LYS 23 Ca 0.00 -0.54 -0.19 0.00 -0.51 0.00 0.00 58.31 57.07 1ghk n LYS 23 Cb 0.00 -0.07 -0.10 0.00 -0.51 0.00 0.00 35.03 34.35 1ghk n LYS 23 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1ghk s LYS 24 N -2.59 1.52 0.18 1.97 1.02 -1.26 -5.01 119.74 115.57 1ghk s LYS 24 Ca 0.11 -1.83 -0.30 0.00 0.02 0.00 0.00 55.97 53.97 1ghk s LYS 24 Cb -0.01 -0.56 -0.08 0.00 -0.52 0.00 0.00 37.83 36.66 1ghk s LYS 24 CO 0.07 -0.24 1.08 -1.25 -0.92 0.00 0.00 175.35 174.10 1ghk s PRO 25 N -3.96 4.61 0.00 -1.68 0.04 -1.26 -3.74 135.00 129.01 1ghk s PRO 25 Ca 0.37 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1ghk s PRO 25 Cb 0.08 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1ghk s PRO 25 CO 0.14 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.70 1ghk n GLY 26 N 2.02 1.19 3.75 0.56 0.00 -1.26 -4.94 105.19 106.52 1ghk n GLY 26 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1ghk n GLY 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ghk s GLU 27 N -0.60 2.18 0.35 1.61 4.04 -1.25 -5.00 118.70 120.03 1ghk s GLU 27 Ca 0.00 -2.03 -0.25 0.00 0.04 0.00 0.00 54.97 52.72 1ghk s GLU 27 Cb 0.00 -1.85 -0.10 0.00 0.02 0.00 0.00 34.13 32.20 1ghk s GLU 27 CO 0.00 -0.24 0.97 0.00 -1.84 0.00 0.00 175.26 174.16 1ghk s ALA 28 N -2.70 3.18 0.24 -0.84 0.00 -1.26 -4.28 121.76 116.09 1ghk s ALA 28 Ca 0.31 0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.90 1ghk s ALA 28 Cb 0.03 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1ghk s ALA 28 CO 0.17 0.07 -0.06 0.08 0.00 0.00 0.00 175.76 176.03 1ghk s VAL 29 N -1.65 1.44 -0.19 0.00 1.01 -1.24 -5.04 120.40 114.72 1ghk s VAL 29 Ca 0.52 -2.10 -0.22 0.00 0.00 0.00 0.00 61.98 60.18 1ghk s VAL 29 Cb -0.19 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 33.93 1ghk s VAL 29 CO 0.24 -0.39 0.60 -0.75 0.00 0.00 0.00 175.10 174.81 1ghk s LYS 30 N -3.76 0.75 0.37 2.72 2.20 -1.26 -4.02 119.74 116.73 1ghk s LYS 30 Ca 0.27 0.71 -0.23 0.00 -0.36 0.00 0.00 55.97 56.36 1ghk s LYS 30 Cb 0.04 0.36 -0.15 0.00 -1.51 0.00 0.00 37.83 36.57 1ghk s LYS 30 CO 0.09 -0.12 0.38 -2.13 -0.36 0.00 0.00 175.35 173.21 1ghk n ARG 31 N 2.43 0.27 -2.67 4.03 0.00 -1.26 -2.73 116.66 116.73 1ghk n ARG 31 Ca -0.15 0.10 -0.07 0.00 -0.00 0.00 0.00 57.85 57.73 1ghk n ARG 31 Cb 0.56 -1.23 0.03 0.00 0.00 0.00 0.00 32.46 31.83 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 1.83 -2.54 -3.50 6.15 -0.08 -1.26 -5.01 116.55 112.14 1ghk n ASP 32 Ca 0.13 -0.23 -0.25 0.00 -1.51 0.00 0.00 54.79 52.92 1ghk n ASP 32 Cb 0.37 -2.30 -0.14 0.00 2.34 0.00 0.00 41.12 41.39 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 -4.84 0.22 0.43 -0.67 2.56 -1.10 -5.02 118.70 110.29 1ghk s GLU 33 Ca 0.07 -0.37 -0.21 0.00 0.00 0.00 0.00 54.97 54.46 1ghk s GLU 33 Cb -0.03 -1.06 -0.14 0.00 2.00 0.00 0.00 34.13 34.90 1ghk s GLU 33 CO 0.29 -0.99 0.29 -0.11 -0.56 0.00 0.00 175.26 174.18 1ghk n LEU 34 N 5.27 -1.46 0.00 2.70 7.94 -1.26 -3.19 117.00 127.00 1ghk n LEU 34 Ca -0.05 0.83 0.00 0.00 -1.11 0.00 0.00 56.01 55.68 1ghk n LEU 34 Cb 0.44 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.39 1ghk n LEU 34 CO 0.04 -3.62 -0.45 -0.38 -1.11 0.00 0.00 177.39 171.86 1ghk n ILE 35 N -1.06 0.00 -3.63 1.96 5.41 -0.43 -4.79 119.36 116.82 1ghk n ILE 35 Ca 0.11 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.73 1ghk n ILE 35 Cb 0.41 -0.90 -0.07 0.00 -0.71 0.00 0.00 39.64 38.37 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 -1.95 0.00 0.41 1.39 0.11 -1.03 -3.90 120.40 115.43 1ghk s VAL 36 Ca 0.00 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 1ghk s VAL 36 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1ghk s VAL 36 CO 0.00 0.00 0.56 -1.81 -3.33 0.00 0.00 175.10 170.52 1ghk s ASP 37 N 0.47 5.73 0.12 3.54 1.01 -1.11 -0.02 116.67 126.41 1ghk s ASP 37 Ca -0.01 -0.29 0.01 0.00 0.71 0.00 0.00 52.55 52.98 1ghk s ASP 37 Cb -0.05 -0.88 -0.04 0.00 1.01 0.00 0.00 42.92 42.96 1ghk s ASP 37 CO -0.01 -0.69 -0.03 -0.63 0.21 0.00 0.00 175.17 174.02 1ghk s ILE 38 N -2.34 0.62 0.17 0.77 1.01 -0.71 -1.71 121.20 119.02 1ghk s ILE 38 Ca 0.52 -1.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.19 1ghk s ILE 38 Cb -0.10 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1ghk s ILE 38 CO 0.33 -0.73 0.18 -0.70 0.00 0.00 0.00 174.94 174.02 1ghk s GLU 39 N -3.88 1.14 0.29 2.79 2.12 0.34 -1.89 118.70 119.61 1ghk s GLU 39 Ca 0.16 -1.42 -0.20 0.00 0.36 0.00 0.00 54.97 53.88 1ghk s GLU 39 Cb 0.06 0.31 0.02 0.00 0.26 0.00 0.00 34.13 34.78 1ghk s GLU 39 CO -0.02 -0.38 0.70 0.99 -0.54 0.00 0.00 175.26 176.01 1ghk s THR 40 N -4.06 0.00 0.35 -1.70 2.01 -0.86 -1.71 115.64 109.66 1ghk s THR 40 Ca 0.27 -1.04 0.16 0.00 0.31 0.00 0.00 61.69 61.38 1ghk s THR 40 Cb 0.05 -2.11 0.34 0.00 0.01 0.00 0.00 72.50 70.80 1ghk s THR 40 CO 0.05 0.00 1.63 -0.78 -0.69 0.00 0.00 174.62 174.83 1ghk h ASP 41 N 2.02 0.36 0.00 3.53 1.82 -1.96 -3.21 116.42 118.99 1ghk h ASP 41 Ca -0.21 0.22 -0.08 0.00 -0.39 0.00 0.00 57.03 56.57 1ghk h ASP 41 Cb 1.25 0.21 -0.11 0.00 0.68 0.00 0.00 39.33 41.36 1ghk h ASP 41 CO 0.26 -0.26 -0.29 0.29 -1.61 0.00 0.00 179.24 177.62 1ghk n LYS 42 N -5.16 0.00 -3.56 0.28 5.02 -1.26 -5.07 118.16 108.41 1ghk n LYS 42 Ca 0.33 -0.79 -0.26 0.00 -2.02 0.00 0.00 58.31 55.57 1ghk n LYS 42 Cb 1.07 0.21 -0.16 0.00 -0.02 0.00 0.00 35.03 36.13 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 0.00 -0.11 -0.05 -0.18 1.01 -1.21 -5.13 120.40 114.73 1ghk s VAL 43 Ca 0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1ghk s VAL 43 Cb 0.04 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1ghk s VAL 43 CO -0.02 -0.48 0.32 0.54 0.00 0.00 0.00 175.10 175.46 1ghk s VAL 44 N 2.14 5.19 0.00 2.92 0.11 -1.26 -2.03 120.40 127.47 1ghk s VAL 44 Ca 0.06 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 1ghk s VAL 44 Cb -0.16 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 1ghk s VAL 44 CO -0.23 0.58 0.00 0.23 -3.33 0.00 0.00 175.10 172.35 1ghk n MET 45 N 1.99 1.45 -3.77 1.54 2.81 -0.79 -4.95 117.12 115.40 1ghk n MET 45 Ca -0.16 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.65 1ghk n MET 45 Cb 0.53 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.01 1ghk n MET 45 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1ghk s GLU 46 N -1.36 1.59 -0.25 0.03 -1.05 -1.26 -1.74 118.70 114.66 1ghk s GLU 46 Ca 0.00 -0.89 -0.04 0.00 -0.15 0.00 0.00 54.97 53.89 1ghk s GLU 46 Cb 0.00 0.58 0.08 0.00 -0.44 0.00 0.00 34.13 34.35 1ghk s GLU 46 CO 0.00 -0.71 0.10 0.08 0.95 0.00 0.00 175.26 175.68 1ghk s VAL 47 N -3.89 0.12 0.52 1.83 1.01 0.98 -4.85 120.40 116.11 1ghk s VAL 47 Ca 0.10 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1ghk s VAL 47 Cb -0.04 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.42 1ghk s VAL 47 CO 0.01 -0.53 0.72 -0.76 0.00 0.00 0.00 175.10 174.54 1ghk s LEU 48 N 2.02 3.38 0.14 3.92 1.43 -1.26 -1.31 118.68 127.00 1ghk s LEU 48 Ca 0.06 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.68 1ghk s LEU 48 Cb -0.16 -2.66 -0.08 0.00 0.03 0.00 0.00 46.19 43.32 1ghk s LEU 48 CO -0.24 -1.07 0.74 0.00 0.23 0.00 0.00 176.35 176.01 1ghk s ALA 49 N -2.64 3.47 -2.15 4.21 0.00 -1.19 -4.79 121.76 118.67 1ghk s ALA 49 Ca 0.57 0.30 0.23 0.00 0.00 0.00 0.00 51.96 53.06 1ghk s ALA 49 Cb -0.10 -2.90 0.56 0.00 0.00 0.00 0.00 23.12 20.68 1ghk s ALA 49 CO 0.37 0.30 1.48 0.39 0.00 0.00 0.00 175.76 178.30 1ghk n GLU 50 N 1.69 2.65 0.00 0.00 -0.58 -1.26 -4.13 120.64 119.01 1ghk n GLU 50 Ca -0.06 -2.52 0.00 0.00 -0.42 0.00 0.00 57.16 54.16 1ghk n GLU 50 Cb 0.49 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ghk n ALA 51 N 1.59 0.00 -0.57 0.62 0.00 -1.26 -4.98 120.51 115.91 1ghk n ALA 51 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 1ghk n ALA 51 Cb 0.62 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.28 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 -2.37 0.00 0.00 -0.08 -1.26 -4.66 116.55 108.18 1ghk n ASP 52 Ca 0.00 -0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.06 1ghk n ASP 52 Cb 0.00 -1.03 0.00 0.00 2.34 0.00 0.00 41.12 42.43 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 1.76 -0.04 2.81 0.27 0.00 -1.26 -4.35 105.19 104.38 1ghk n GLY 53 Ca 0.02 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 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 0.35 0.87 1.61 1.01 -1.03 -3.73 120.40 115.48 1ghk s VAL 54 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1ghk s VAL 54 Cb 0.00 -0.47 0.12 0.00 0.00 0.00 0.00 36.38 36.03 1ghk s VAL 54 CO 0.00 0.22 1.16 -0.63 0.00 0.00 0.00 175.10 175.86 1ghk s ILE 55 N 1.52 2.16 -0.01 2.22 1.01 -1.26 -1.45 121.20 125.39 1ghk s ILE 55 Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1ghk s ILE 55 Cb -0.13 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.10 1ghk s ILE 55 CO -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 174.94 174.83 1ghk n ALA 56 N -3.86 0.04 -3.64 9.38 0.00 0.45 -4.00 120.51 118.88 1ghk n ALA 56 Ca 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 1ghk n ALA 56 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.10 0.06 0.09 0.00 2.56 -1.26 -4.62 118.70 114.43 1ghk s GLU 57 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 54.97 54.78 1ghk s GLU 57 Cb 0.00 0.03 -0.07 0.00 2.00 0.00 0.00 34.13 36.09 1ghk s GLU 57 CO 0.02 -0.02 0.55 0.42 -0.56 0.00 0.00 175.26 175.67 1ghk s ILE 58 N -1.32 4.80 -0.05 -3.70 1.01 -1.26 -3.90 121.20 116.78 1ghk s ILE 58 Ca 0.10 1.08 -0.03 0.00 0.00 0.00 0.00 60.65 61.80 1ghk s ILE 58 Cb -0.01 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1ghk s ILE 58 CO -0.06 0.48 -0.06 0.52 0.00 0.00 0.00 174.94 175.81 1ghk n VAL 59 N 1.49 0.46 -2.41 2.92 0.31 -0.73 -4.95 118.33 115.42 1ghk n VAL 59 Ca -0.09 0.41 -0.09 0.00 -0.01 0.00 0.00 64.34 64.56 1ghk n VAL 59 Cb 0.51 -1.79 0.04 0.00 -0.91 0.00 0.00 33.84 31.70 1ghk n VAL 59 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ghk n LYS 60 N -3.02 0.37 -4.21 5.55 4.81 -1.26 -5.10 118.16 115.30 1ghk n LYS 60 Ca -0.02 -1.03 -0.26 0.00 -0.87 0.00 0.00 58.31 56.12 1ghk n LYS 60 Cb 0.09 -0.24 -0.07 0.00 0.02 0.00 0.00 35.03 34.82 1ghk n LYS 60 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1ghk s ASN 61 N -2.53 4.82 0.62 3.14 0.01 -1.26 -5.09 114.94 114.65 1ghk s ASN 61 Ca 0.25 -0.41 -0.16 0.00 -0.71 0.00 0.00 52.86 51.83 1ghk s ASN 61 Cb -0.01 -1.04 -0.02 0.00 0.41 0.00 0.00 41.25 40.59 1ghk s ASN 61 CO 0.17 0.07 1.12 -1.83 -1.51 0.00 0.00 177.10 175.12 1ghk s GLU 62 N -3.09 2.95 0.00 -0.60 -1.05 -1.26 -2.87 118.70 112.78 1ghk s GLU 62 Ca 0.28 1.47 0.00 0.00 -0.15 0.00 0.00 54.97 56.57 1ghk s GLU 62 Cb -0.09 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.64 1ghk s GLU 62 CO 0.19 -1.14 0.00 0.41 0.95 0.00 0.00 175.26 175.67 1ghk n GLY 63 N -0.28 0.55 3.91 -3.83 0.00 -1.19 -4.92 105.19 99.43 1ghk n GLY 63 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.22 5.15 -0.20 1.61 -1.08 -1.14 -4.86 116.67 113.92 1ghk s ASP 64 Ca 0.00 -0.71 -0.11 0.00 -0.52 0.00 0.00 52.55 51.21 1ghk s ASP 64 Cb 0.00 -0.49 -0.05 0.00 -1.46 0.00 0.00 42.92 40.93 1ghk s ASP 64 CO 0.00 -0.74 0.18 -0.89 0.52 0.00 0.00 175.17 174.24 1ghk s THR 65 N -2.48 5.37 0.00 1.71 2.01 -1.26 -1.40 115.64 119.59 1ghk s THR 65 Ca 0.49 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.76 1ghk s THR 65 Cb -0.05 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1ghk s THR 65 CO 0.29 0.40 0.00 1.33 -0.69 0.00 0.00 174.62 175.95 1ghk n VAL 66 N 3.76 0.00 -4.41 3.82 0.24 -0.53 -4.96 118.33 116.24 1ghk n VAL 66 Ca -0.15 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.95 1ghk n VAL 66 Cb 0.52 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.79 1ghk n VAL 66 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1ghk s LEU 67 N 0.00 2.38 0.35 1.34 2.96 -1.26 -2.94 118.68 121.51 1ghk s LEU 67 Ca 0.00 -1.23 -0.29 0.00 -0.22 0.00 0.00 54.13 52.39 1ghk s LEU 67 Cb 0.00 -0.52 -0.11 0.00 0.50 0.00 0.00 46.19 46.06 1ghk s LEU 67 CO 0.00 -0.43 1.48 -0.55 -1.32 0.00 0.00 176.35 175.53 1ghk s SER 68 N -3.43 6.43 -0.24 3.68 0.15 -1.26 -1.59 113.70 117.44 1ghk s SER 68 Ca 0.30 2.96 0.00 0.00 0.70 0.00 0.00 55.95 59.91 1ghk s SER 68 Cb 0.05 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1ghk s SER 68 CO 0.12 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.35 1ghk n GLY 69 N 0.94 0.56 3.64 9.45 0.00 -1.23 -4.97 105.19 113.58 1ghk n GLY 69 Ca 0.03 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.45 4.06 -0.15 1.61 2.56 -0.62 -4.81 118.70 119.90 1ghk s GLU 70 Ca 0.00 1.15 -0.29 0.00 0.00 0.00 0.00 54.97 55.83 1ghk s GLU 70 Cb 0.00 -3.76 -0.04 0.00 2.00 0.00 0.00 34.13 32.33 1ghk s GLU 70 CO 0.00 -0.91 1.75 -1.17 -0.56 0.00 0.00 175.26 174.37 1ghk s LEU 71 N 3.73 3.99 0.00 2.70 2.96 -1.26 -1.88 118.68 128.92 1ghk s LEU 71 Ca 0.48 1.92 0.22 0.00 -0.22 0.00 0.00 54.13 56.52 1ghk s LEU 71 Cb -0.14 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.87 1ghk s LEU 71 CO 0.16 -1.26 0.89 0.18 -1.32 0.00 0.00 176.35 174.99 1ghk n LEU 72 N 8.52 0.74 0.00 -0.68 4.77 -0.87 -4.48 117.00 124.99 1ghk n LEU 72 Ca 0.20 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1ghk n LEU 72 Cb 0.44 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1ghk n LEU 72 CO 0.65 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1ghk n GLY 73 N 1.44 1.71 3.03 -0.72 0.00 -1.02 -1.77 105.19 107.86 1ghk n GLY 73 Ca 0.02 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.00 0.85 -0.12 1.61 1.02 -1.25 -0.97 119.74 118.87 1ghk s LYS 74 Ca 0.00 -0.35 -0.10 0.00 0.02 0.00 0.00 55.97 55.55 1ghk s LYS 74 Cb 0.00 -0.81 -0.05 0.00 -0.52 0.00 0.00 37.83 36.45 1ghk s LYS 74 CO 0.00 0.19 0.20 -1.17 -0.92 0.00 0.00 175.35 173.66 1ghk s LEU 75 N -0.14 4.35 0.44 3.17 2.96 -0.94 -0.41 118.68 128.11 1ghk s LEU 75 Ca 0.02 0.51 0.07 0.00 -0.22 0.00 0.00 54.13 54.52 1ghk s LEU 75 Cb -0.05 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1ghk s LEU 75 CO -0.00 0.31 0.32 -0.89 -1.32 0.00 0.00 176.35 174.78 1ghk s THR 76 N -0.59 2.33 0.05 3.68 2.01 -0.53 -2.55 115.64 120.05 1ghk s THR 76 Ca 0.15 -1.48 -0.01 0.00 0.31 0.00 0.00 61.69 60.66 1ghk s THR 76 Cb -0.13 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.58 1ghk s THR 76 CO 0.04 0.00 0.07 -0.62 -0.69 0.00 0.00 174.62 173.42 1ghk n GLU 77 N -1.50 0.07 0.00 4.92 -0.58 -1.26 -2.72 120.64 119.57 1ghk n GLU 77 Ca 0.01 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1ghk n GLU 77 Cb 0.63 -0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 1ghk n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ghk n GLY 78 N 4.54 1.82 0.73 0.62 0.00 -1.26 -2.45 105.19 109.19 1ghk n GLY 78 Ca 0.01 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.46 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93