#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 0.18 -0.04 0.00 -4.36 -1.25 -5.02 121.20 110.71 1ghk s ILE 2 Ca 0.00 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.46 1ghk s ILE 2 Cb 0.00 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.18 1ghk s ILE 2 CO 0.00 0.00 -0.25 -0.62 0.24 0.00 0.00 174.94 174.31 1ghk s ASP 3 N -3.29 2.97 -0.24 4.36 -1.08 -1.26 -2.10 116.67 116.02 1ghk s ASP 3 Ca 0.38 -0.48 -0.05 0.00 -0.52 0.00 0.00 52.55 51.88 1ghk s ASP 3 Cb 0.05 -0.66 -0.01 0.00 -1.46 0.00 0.00 42.92 40.85 1ghk s ASP 3 CO 0.17 0.26 -0.00 -0.63 0.52 0.00 0.00 175.17 175.49 1ghk s ILE 4 N -0.29 3.61 0.09 4.11 1.01 -0.81 -4.96 121.20 123.96 1ghk s ILE 4 Ca 0.01 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1ghk s ILE 4 Cb -0.12 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1ghk s ILE 4 CO 0.02 0.34 -0.08 -1.59 0.00 0.00 0.00 174.94 173.63 1ghk s LYS 5 N 1.50 0.79 1.02 2.79 -2.85 -1.26 -1.46 119.74 120.27 1ghk s LYS 5 Ca 0.05 -1.18 -0.12 0.00 -1.00 0.00 0.00 55.97 53.72 1ghk s LYS 5 Cb -0.15 -0.33 0.18 0.00 -2.06 0.00 0.00 37.83 35.47 1ghk s LYS 5 CO -0.01 0.03 0.96 0.00 0.10 0.00 0.00 175.35 176.42 1ghk n ALA 6 N 0.41 -1.91 -1.77 0.59 0.00 -0.67 -4.82 120.51 112.33 1ghk n ALA 6 Ca -0.15 -0.82 -0.30 0.00 0.00 0.00 0.00 53.44 52.17 1ghk n ALA 6 Cb 0.59 -2.05 0.20 0.00 0.00 0.00 0.00 19.45 18.19 1ghk n ALA 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ghk s PRO 7 N -4.38 0.25 1.01 0.00 0.04 -1.26 -3.01 135.00 127.65 1ghk s PRO 7 Ca 0.66 -0.36 -0.16 0.00 0.04 0.00 0.00 61.00 61.18 1ghk s PRO 7 Cb -0.23 -1.80 0.21 0.00 0.04 0.00 0.00 34.50 32.72 1ghk s PRO 7 CO 0.62 -2.68 1.23 0.99 0.04 0.00 0.00 177.00 177.20 1ghk s THR 8 N -3.73 1.89 -0.41 1.26 2.01 -1.26 -3.82 115.64 111.58 1ghk s THR 8 Ca 0.74 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.81 1ghk s THR 8 Cb -0.05 -2.83 0.24 0.00 0.01 0.00 0.00 72.50 69.87 1ghk s THR 8 CO 0.54 0.00 0.50 0.49 -0.69 0.00 0.00 174.62 175.46 1ghk n PHE 9 N -4.01 -0.21 1.78 4.92 3.72 -1.26 -4.91 117.46 117.49 1ghk n PHE 9 Ca 0.13 -3.56 0.14 0.00 -0.05 0.00 0.00 57.45 54.12 1ghk n PHE 9 Cb 0.60 -0.26 0.85 0.00 -0.94 0.00 0.00 39.48 39.72 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 1.62 0.88 -1.06 -1.08 -0.04 -1.26 -4.00 135.00 130.06 1ghk n PRO 10 Ca 0.23 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.53 1ghk n PRO 10 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1ghk n PRO 10 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ghk n GLU 11 N -1.01 1.93 -4.28 0.54 -0.58 -1.26 -4.75 120.64 111.24 1ghk n GLU 11 Ca 0.21 -1.39 -0.38 0.00 -0.42 0.00 0.00 57.16 55.18 1ghk n GLU 11 Cb 0.10 -1.81 -0.07 0.00 -0.57 0.00 0.00 31.44 29.09 1ghk n GLU 11 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ghk n SER 12 N 1.39 -1.70 -4.95 1.62 2.88 -1.26 -4.89 113.62 106.73 1ghk n SER 12 Ca 0.36 -1.07 -0.25 0.00 -1.33 0.00 0.00 58.87 56.58 1ghk n SER 12 Cb 0.67 -1.49 -0.03 0.00 -0.75 0.00 0.00 64.21 62.61 1ghk n SER 12 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1ghk s ILE 13 N -3.07 5.27 -2.37 2.46 -1.09 -1.26 -4.99 121.20 116.14 1ghk s ILE 13 Ca 0.74 -0.66 0.26 0.00 -2.23 0.00 0.00 60.65 58.76 1ghk s ILE 13 Cb -0.43 -3.78 0.32 0.00 -1.58 0.00 0.00 42.46 36.99 1ghk s ILE 13 CO 0.91 -0.20 1.49 0.00 -1.23 0.00 0.00 174.94 175.92 1ghk n ALA 14 N -0.86 2.81 0.00 9.38 0.00 -1.26 -4.98 120.51 125.60 1ghk n ALA 14 Ca -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1ghk n ALA 14 Cb 0.55 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.23 0.00 -1.07 0.00 5.68 -1.26 -4.96 116.55 115.16 1ghk n ASP 15 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1ghk n ASP 15 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 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 0.00 4.16 3.18 6.12 0.00 -1.22 -4.43 105.19 112.99 1ghk n GLY 16 Ca 0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.77 -0.38 1.11 2.61 2.01 0.11 -1.70 115.64 117.62 1ghk s THR 17 Ca 0.00 0.18 -0.19 0.00 0.31 0.00 0.00 61.69 61.99 1ghk s THR 17 Cb 0.00 -0.56 0.08 0.00 0.01 0.00 0.00 72.50 72.02 1ghk s THR 17 CO 0.00 0.08 -0.12 0.52 -0.69 0.00 0.00 174.62 174.41 1ghk n VAL 18 N 5.01 0.00 0.00 3.82 0.31 -0.72 -0.50 118.33 126.25 1ghk n VAL 18 Ca -0.13 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1ghk n VAL 18 Cb 0.51 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 -4.33 1.71 -3.63 3.52 0.00 0.02 -3.24 120.51 114.56 1ghk n ALA 19 Ca 0.01 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 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 -1.10 0.00 2.01 -1.24 -3.76 115.64 110.87 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 1.31 0.26 -0.69 0.00 0.00 174.62 175.50 1ghk s TRP 21 N 0.74 3.39 0.00 4.92 0.52 -1.26 -2.71 118.94 124.54 1ghk s TRP 21 Ca -0.03 -1.88 -0.01 0.00 0.02 0.00 0.00 56.10 54.21 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 -0.05 -1.41 1.01 0.45 0.02 0.00 0.00 176.95 176.97 1ghk h HIS 22 N 7.75 -0.03 -4.22 -1.98 3.86 -1.97 -3.42 115.15 115.14 1ghk h HIS 22 Ca 0.25 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.39 1ghk h HIS 22 Cb 0.93 0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.42 1ghk h HIS 22 CO 1.12 -0.01 -0.00 1.63 0.86 0.00 0.00 177.93 181.53 1ghk n LYS 23 N -2.90 0.82 -4.45 2.45 5.02 -1.26 -5.13 118.16 112.72 1ghk n LYS 23 Ca -0.00 -0.49 -0.21 0.00 -2.02 0.00 0.00 58.31 55.58 1ghk n LYS 23 Cb 0.01 -0.06 -0.10 0.00 -0.02 0.00 0.00 35.03 34.86 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 -2.53 1.66 0.04 1.97 1.02 -1.26 -5.02 119.74 115.61 1ghk s LYS 24 Ca 0.10 -1.93 -0.30 0.00 0.02 0.00 0.00 55.97 53.86 1ghk s LYS 24 Cb -0.01 -0.79 -0.05 0.00 -0.52 0.00 0.00 37.83 36.46 1ghk s LYS 24 CO 0.07 -0.22 1.15 -1.25 -0.92 0.00 0.00 175.35 174.17 1ghk s PRO 25 N -3.89 4.45 0.00 -1.68 0.04 -1.26 -3.59 135.00 129.07 1ghk s PRO 25 Ca 0.35 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1ghk s PRO 25 Cb 0.08 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1ghk s PRO 25 CO 0.15 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1ghk n GLY 26 N 3.16 1.58 3.97 0.56 0.00 -1.25 -4.87 105.19 108.35 1ghk n GLY 26 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1ghk n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ghk s GLU 27 N 0.00 2.94 0.06 1.61 0.41 -1.24 -4.91 118.70 117.58 1ghk s GLU 27 Ca 0.00 -0.78 -0.29 0.00 -0.41 0.00 0.00 54.97 53.49 1ghk s GLU 27 Cb 0.00 -2.64 -0.05 0.00 -1.78 0.00 0.00 34.13 29.66 1ghk s GLU 27 CO 0.00 -0.28 0.91 0.00 -0.49 0.00 0.00 175.26 175.41 1ghk s ALA 28 N -2.47 3.26 -0.02 5.21 0.00 -1.26 -4.31 121.76 122.17 1ghk s ALA 28 Ca 0.50 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1ghk s ALA 28 Cb -0.10 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1ghk s ALA 28 CO 0.36 -0.06 -0.04 0.14 0.00 0.00 0.00 175.76 176.16 1ghk s VAL 29 N 0.24 0.36 0.06 0.00 -7.23 -1.25 -5.06 120.40 107.53 1ghk s VAL 29 Ca 0.46 -0.12 0.08 0.00 -1.81 0.00 0.00 61.98 60.59 1ghk s VAL 29 Cb -0.22 -0.35 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 1ghk s VAL 29 CO 0.27 0.14 -0.21 -1.59 -0.31 0.00 0.00 175.10 173.40 1ghk s LYS 30 N 0.33 1.90 0.81 4.82 -2.85 -1.26 -2.97 119.74 120.52 1ghk s LYS 30 Ca -0.03 -1.08 -0.17 0.00 -1.00 0.00 0.00 55.97 53.69 1ghk s LYS 30 Cb -0.07 -2.10 -0.12 0.00 -2.06 0.00 0.00 37.83 33.48 1ghk s LYS 30 CO -0.00 0.52 -0.30 -2.13 0.10 0.00 0.00 175.35 173.54 1ghk n ARG 31 N 1.41 0.02 -2.06 1.78 0.63 -1.26 -2.71 116.66 114.47 1ghk n ARG 31 Ca -0.16 0.02 -0.07 0.00 -0.92 0.00 0.00 57.85 56.71 1ghk n ARG 31 Cb 0.52 -1.21 -0.01 0.00 0.45 0.00 0.00 32.46 32.22 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 2.18 -2.75 -3.67 6.15 2.03 -1.25 -4.97 116.55 114.27 1ghk n ASP 32 Ca 0.03 0.01 -0.26 0.00 0.52 0.00 0.00 54.79 55.09 1ghk n ASP 32 Cb 0.52 -1.98 -0.17 0.00 -0.72 0.00 0.00 41.12 38.77 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 -4.21 0.30 0.69 -0.67 2.12 -1.10 -5.01 118.70 110.82 1ghk s GLU 33 Ca 0.00 -0.15 -0.17 0.00 0.36 0.00 0.00 54.97 55.01 1ghk s GLU 33 Cb 0.00 -1.76 -0.12 0.00 0.26 0.00 0.00 34.13 32.51 1ghk s GLU 33 CO 0.00 -0.60 -0.13 -0.11 -0.54 0.00 0.00 175.26 173.88 1ghk n LEU 34 N 5.19 -3.11 0.00 2.70 7.94 -1.26 -3.12 117.00 125.34 1ghk n LEU 34 Ca -0.07 0.52 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1ghk n LEU 34 Cb 0.48 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 43.51 1ghk n LEU 34 CO 0.11 -4.68 -0.02 -0.38 -1.11 0.00 0.00 177.39 171.31 1ghk n ILE 35 N -1.99 0.00 -3.64 1.96 2.08 -0.33 -4.78 119.36 112.67 1ghk n ILE 35 Ca 0.06 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.29 1ghk n ILE 35 Cb 0.50 -0.03 -0.07 0.00 -0.75 0.00 0.00 39.64 39.29 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 -1.05 0.00 0.34 1.39 0.11 -1.02 -3.85 120.40 116.32 1ghk s VAL 36 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 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 0.59 -1.81 -3.33 0.00 0.00 175.10 170.55 1ghk s ASP 37 N 1.44 6.37 0.23 3.54 1.01 -1.10 -0.74 116.67 127.42 1ghk s ASP 37 Ca -0.08 0.67 0.06 0.00 0.71 0.00 0.00 52.55 53.90 1ghk s ASP 37 Cb -0.05 -2.13 -0.05 0.00 1.01 0.00 0.00 42.92 41.70 1ghk s ASP 37 CO -0.17 -0.28 -0.08 -0.51 0.21 0.00 0.00 175.17 174.34 1ghk s ILE 38 N -2.25 1.47 -0.22 0.77 2.07 -1.03 -0.80 121.20 121.20 1ghk s ILE 38 Ca 0.43 -2.12 -0.03 0.00 -1.41 0.00 0.00 60.65 57.52 1ghk s ILE 38 Cb -0.10 -2.23 0.11 0.00 0.13 0.00 0.00 42.46 40.37 1ghk s ILE 38 CO 0.34 -0.45 0.31 -0.70 -1.91 0.00 0.00 174.94 172.54 1ghk s GLU 39 N -3.74 0.28 0.00 3.50 2.12 0.34 -1.83 118.70 119.38 1ghk s GLU 39 Ca 0.26 0.43 0.00 0.00 0.36 0.00 0.00 54.97 56.01 1ghk s GLU 39 Cb 0.03 -0.73 0.00 0.00 0.26 0.00 0.00 34.13 33.69 1ghk s GLU 39 CO 0.08 -0.62 0.00 2.41 -0.54 0.00 0.00 175.26 176.59 1ghk n THR 40 N 5.35 0.00 -0.07 -1.70 -1.04 -0.01 -0.71 114.28 116.10 1ghk n THR 40 Ca -0.05 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.94 1ghk n THR 40 Cb 0.50 -1.96 -0.02 0.00 -1.82 0.00 0.00 70.33 67.02 1ghk n THR 40 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1ghk h ASP 41 N 0.00 -0.48 0.00 8.00 1.82 -1.95 -3.30 116.42 120.51 1ghk h ASP 41 Ca 0.00 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.67 1ghk h ASP 41 Cb 0.00 0.20 -0.08 0.00 0.68 0.00 0.00 39.33 40.14 1ghk h ASP 41 CO 0.00 -0.07 -0.47 0.29 -1.61 0.00 0.00 179.24 177.38 1ghk n LYS 42 N -3.44 0.55 -4.43 0.28 5.02 -1.26 -5.07 118.16 109.82 1ghk n LYS 42 Ca -0.00 -1.92 -0.24 0.00 -2.02 0.00 0.00 58.31 54.13 1ghk n LYS 42 Cb 0.07 -0.82 -0.09 0.00 -0.02 0.00 0.00 35.03 34.17 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 -1.20 2.62 -0.04 -0.18 1.01 -1.24 -5.14 120.40 116.23 1ghk s VAL 43 Ca 0.20 -2.19 -0.00 0.00 0.00 0.00 0.00 61.98 59.99 1ghk s VAL 43 Cb 0.20 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1ghk s VAL 43 CO -0.03 -0.31 0.00 -0.69 0.00 0.00 0.00 175.10 174.07 1ghk s VAL 44 N -2.50 0.21 0.05 2.92 1.01 -1.26 -0.83 120.40 120.00 1ghk s VAL 44 Ca 0.32 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1ghk s VAL 44 Cb -0.03 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 1ghk s VAL 44 CO 0.17 0.18 0.01 0.23 0.00 0.00 0.00 175.10 175.68 1ghk n MET 45 N 4.47 1.54 -4.04 2.72 2.81 -0.76 -5.00 117.12 118.86 1ghk n MET 45 Ca -0.20 -0.38 -0.10 0.00 -1.81 0.00 0.00 57.70 55.21 1ghk n MET 45 Cb 0.50 0.14 -0.11 0.00 -0.71 0.00 0.00 33.22 33.04 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 -2.18 0.47 -0.24 0.03 1.03 -1.26 -2.48 118.70 114.07 1ghk s GLU 46 Ca 0.01 -0.82 0.02 0.00 0.03 0.00 0.00 54.97 54.21 1ghk s GLU 46 Cb 0.00 -0.04 0.06 0.00 -0.80 0.00 0.00 34.13 33.35 1ghk s GLU 46 CO 0.01 -0.02 -0.09 0.08 -1.33 0.00 0.00 175.26 173.90 1ghk s VAL 47 N -1.99 1.87 0.35 1.83 1.01 0.08 -4.87 120.40 118.67 1ghk s VAL 47 Ca -0.08 -1.37 0.07 0.00 0.00 0.00 0.00 61.98 60.60 1ghk s VAL 47 Cb -0.06 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1ghk s VAL 47 CO -0.02 0.00 0.42 -0.76 0.00 0.00 0.00 175.10 174.75 1ghk s LEU 48 N 1.25 3.82 0.37 3.92 1.02 -1.26 -1.19 118.68 126.61 1ghk s LEU 48 Ca -0.06 -0.32 -0.25 0.00 0.02 0.00 0.00 54.13 53.52 1ghk s LEU 48 Cb -0.19 -2.57 -0.09 0.00 0.02 0.00 0.00 46.19 43.36 1ghk s LEU 48 CO -0.06 -0.45 1.03 0.00 0.02 0.00 0.00 176.35 176.89 1ghk s ALA 49 N -2.24 3.15 -1.30 4.21 0.00 -1.18 -4.86 121.76 119.54 1ghk s ALA 49 Ca 0.45 0.68 0.13 0.00 0.00 0.00 0.00 51.96 53.22 1ghk s ALA 49 Cb -0.08 -3.26 0.31 0.00 0.00 0.00 0.00 23.12 20.09 1ghk s ALA 49 CO 0.30 -0.11 1.22 0.39 0.00 0.00 0.00 175.76 177.56 1ghk n GLU 50 N 0.22 2.35 -3.35 0.00 -0.58 -1.26 -3.81 120.64 114.20 1ghk n GLU 50 Ca 0.04 -1.96 0.02 0.00 -0.42 0.00 0.00 57.16 54.84 1ghk n GLU 50 Cb 0.49 -1.32 -0.05 0.00 -0.57 0.00 0.00 31.44 30.00 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ghk s ALA 51 N -1.04 -2.95 1.17 0.62 0.00 -1.26 -4.95 121.76 113.36 1ghk s ALA 51 Ca 0.26 1.93 -0.17 0.00 0.00 0.00 0.00 51.96 53.97 1ghk s ALA 51 Cb 0.14 -2.13 0.20 0.00 0.00 0.00 0.00 23.12 21.32 1ghk s ALA 51 CO 0.19 -0.82 0.41 -3.47 0.00 0.00 0.00 175.76 172.07 1ghk n ASP 52 N 4.39 -2.35 0.00 0.00 -0.08 -1.26 -4.71 116.55 112.54 1ghk n ASP 52 Ca -0.10 -0.22 0.00 0.00 -1.51 0.00 0.00 54.79 52.96 1ghk n ASP 52 Cb 0.55 -1.04 0.00 0.00 2.34 0.00 0.00 41.12 42.97 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 1.72 0.45 2.72 0.27 0.00 -1.16 -4.88 105.19 104.32 1ghk n GLY 53 Ca 0.02 -1.24 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.74 -0.00 1.05 1.61 1.01 -1.26 -3.79 120.40 115.29 1ghk s VAL 54 Ca 0.00 0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 1ghk s VAL 54 Cb 0.00 -0.20 0.22 0.00 0.00 0.00 0.00 36.38 36.40 1ghk s VAL 54 CO 0.00 0.17 1.07 -0.63 0.00 0.00 0.00 175.10 175.70 1ghk s ILE 55 N 1.75 2.15 -0.07 2.22 -1.09 -1.26 -1.14 121.20 123.76 1ghk s ILE 55 Ca -0.00 0.05 -0.08 0.00 -2.23 0.00 0.00 60.65 58.39 1ghk s ILE 55 Cb -0.12 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.43 1ghk s ILE 55 CO -0.03 -0.07 -0.15 0.00 -1.23 0.00 0.00 174.94 173.47 1ghk n ALA 56 N -4.47 0.63 -3.56 9.38 0.00 0.59 -3.80 120.51 119.27 1ghk n ALA 56 Ca 0.05 -0.47 -0.06 0.00 0.00 0.00 0.00 53.44 52.96 1ghk n ALA 56 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.84 0.52 -0.09 0.00 2.02 -1.26 -4.57 118.70 113.48 1ghk s GLU 57 Ca -0.12 -0.17 -0.20 0.00 0.02 0.00 0.00 54.97 54.50 1ghk s GLU 57 Cb 0.02 0.24 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 1ghk s GLU 57 CO 0.18 -0.22 0.56 0.42 0.02 0.00 0.00 175.26 176.21 1ghk s ILE 58 N -2.58 5.12 -0.10 -1.63 1.01 -1.26 -3.86 121.20 117.90 1ghk s ILE 58 Ca 0.07 1.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.82 1ghk s ILE 58 Cb -0.01 -3.89 -0.26 0.00 0.01 0.00 0.00 42.46 38.31 1ghk s ILE 58 CO -0.06 0.31 0.45 0.58 0.00 0.00 0.00 174.94 176.22 1ghk h VAL 59 N 4.67 0.69 -3.84 2.92 2.07 -1.53 -3.46 116.25 117.76 1ghk h VAL 59 Ca -0.42 -2.43 -0.68 0.00 0.82 0.00 0.00 66.70 63.99 1ghk h VAL 59 Cb 1.19 2.50 -0.24 0.00 -1.52 0.00 0.00 31.29 33.22 1ghk h VAL 59 CO 0.75 0.81 -0.76 -0.75 0.02 0.00 0.00 177.57 177.64 1ghk s LYS 60 N -2.57 2.73 0.55 1.57 2.47 -1.26 -5.04 119.74 118.18 1ghk s LYS 60 Ca -0.18 -0.68 -0.15 0.00 -1.56 0.00 0.00 55.97 53.40 1ghk s LYS 60 Cb 0.07 -2.45 -0.07 0.00 -1.46 0.00 0.00 37.83 33.92 1ghk s LYS 60 CO 0.79 0.53 1.00 -0.80 0.16 0.00 0.00 175.35 177.03 1ghk s ASN 61 N -0.48 6.48 0.37 1.43 0.02 -1.26 -5.01 114.94 116.49 1ghk s ASN 61 Ca 0.06 1.52 -0.26 0.00 -1.02 0.00 0.00 52.86 53.16 1ghk s ASN 61 Cb -0.12 -2.50 -0.09 0.00 0.02 0.00 0.00 41.25 38.57 1ghk s ASN 61 CO 0.02 -0.69 1.19 -1.83 0.02 0.00 0.00 177.10 175.80 1ghk s GLU 62 N -4.45 4.19 0.00 -0.60 -1.05 -1.26 -2.70 118.70 112.82 1ghk s GLU 62 Ca 0.58 1.91 0.00 0.00 -0.15 0.00 0.00 54.97 57.30 1ghk s GLU 62 Cb -0.10 -2.82 0.00 0.00 -0.44 0.00 0.00 34.13 30.77 1ghk s GLU 62 CO 0.39 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.79 1ghk n GLY 63 N 0.74 2.28 3.93 -3.83 0.00 -1.20 -4.91 105.19 102.19 1ghk n GLY 63 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.70 4.61 -0.13 1.61 -1.08 -1.10 -4.76 116.67 114.12 1ghk s ASP 64 Ca 0.00 0.47 -0.12 0.00 -0.52 0.00 0.00 52.55 52.38 1ghk s ASP 64 Cb 0.00 -1.04 -0.05 0.00 -1.46 0.00 0.00 42.92 40.38 1ghk s ASP 64 CO 0.00 -1.75 0.27 -0.89 0.52 0.00 0.00 175.17 173.32 1ghk s THR 65 N -3.35 5.31 0.00 1.71 2.01 -1.26 -1.76 115.64 118.29 1ghk s THR 65 Ca 0.62 0.50 0.00 0.00 0.31 0.00 0.00 61.69 63.12 1ghk s THR 65 Cb -0.10 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1ghk s THR 65 CO 0.46 0.47 0.00 1.33 -0.69 0.00 0.00 174.62 176.19 1ghk n VAL 66 N 2.99 0.00 -4.05 3.82 0.24 -0.69 -4.94 118.33 115.71 1ghk n VAL 66 Ca -0.14 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 1ghk n VAL 66 Cb 0.52 -0.08 -0.04 0.00 -1.47 0.00 0.00 33.84 32.78 1ghk n VAL 66 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ghk s LEU 67 N 0.00 0.79 -0.36 1.34 1.02 -1.26 -3.45 118.68 116.75 1ghk s LEU 67 Ca 0.00 -1.35 -0.28 0.00 0.02 0.00 0.00 54.13 52.52 1ghk s LEU 67 Cb 0.00 1.62 -0.01 0.00 0.02 0.00 0.00 46.19 47.82 1ghk s LEU 67 CO 0.00 -1.29 1.73 -0.55 0.02 0.00 0.00 176.35 176.26 1ghk s SER 68 N -3.18 5.93 0.00 2.29 0.15 -1.26 -1.97 113.70 115.67 1ghk s SER 68 Ca 0.28 1.15 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1ghk s SER 68 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1ghk s SER 68 CO 0.17 -1.70 0.00 0.61 1.20 0.00 0.00 173.24 173.52 1ghk n GLY 69 N 5.38 0.94 3.67 9.45 0.00 -1.17 -4.98 105.19 118.47 1ghk n GLY 69 Ca 0.21 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.73 4.25 -0.24 1.61 2.56 -0.83 -4.64 118.70 120.67 1ghk s GLU 70 Ca 0.00 1.75 -0.28 0.00 0.00 0.00 0.00 54.97 56.43 1ghk s GLU 70 Cb 0.00 -3.75 -0.04 0.00 2.00 0.00 0.00 34.13 32.34 1ghk s GLU 70 CO 0.00 -0.68 1.93 -1.17 -0.56 0.00 0.00 175.26 174.78 1ghk s LEU 71 N 3.32 3.62 0.01 2.70 2.96 -1.26 -1.68 118.68 128.35 1ghk s LEU 71 Ca 0.58 1.67 0.23 0.00 -0.22 0.00 0.00 54.13 56.39 1ghk s LEU 71 Cb -0.24 -3.52 0.10 0.00 0.50 0.00 0.00 46.19 43.02 1ghk s LEU 71 CO 0.18 -1.67 1.11 0.18 -1.32 0.00 0.00 176.35 174.84 1ghk n LEU 72 N 10.24 0.73 0.00 -0.68 4.77 -0.53 -4.30 117.00 127.23 1ghk n LEU 72 Ca 0.24 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1ghk n LEU 72 Cb 0.45 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1ghk n LEU 72 CO 0.67 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1ghk n GLY 73 N 1.47 1.96 3.23 -0.72 0.00 -1.20 -1.68 105.19 108.25 1ghk n GLY 73 Ca 0.04 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 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 1.33 0.31 1.61 1.02 -1.25 -1.93 119.74 118.83 1ghk s LYS 74 Ca 0.00 -0.90 -0.08 0.00 0.02 0.00 0.00 55.97 55.01 1ghk s LYS 74 Cb 0.00 -1.43 -0.06 0.00 -0.52 0.00 0.00 37.83 35.82 1ghk s LYS 74 CO 0.00 0.36 0.62 -1.17 -0.92 0.00 0.00 175.35 174.24 1ghk s LEU 75 N -1.13 4.02 0.44 3.17 2.96 -0.89 -0.30 118.68 126.94 1ghk s LEU 75 Ca 0.07 0.90 0.07 0.00 -0.22 0.00 0.00 54.13 54.94 1ghk s LEU 75 Cb -0.09 -3.72 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 1ghk s LEU 75 CO 0.02 -0.23 0.21 -0.89 -1.32 0.00 0.00 176.35 174.14 1ghk s THR 76 N -2.10 2.13 0.38 3.68 2.01 -0.29 -3.89 115.64 117.55 1ghk s THR 76 Ca 0.47 -1.67 -0.19 0.00 0.31 0.00 0.00 61.69 60.60 1ghk s THR 76 Cb -0.11 -2.80 -0.10 0.00 0.01 0.00 0.00 72.50 69.50 1ghk s THR 76 CO 0.28 0.00 0.87 -1.61 -0.69 0.00 0.00 174.62 173.47 1ghk s GLU 77 N -3.97 4.19 -0.21 4.92 8.01 -1.26 -4.17 118.70 126.21 1ghk s GLU 77 Ca 0.37 0.98 -0.02 0.00 0.01 0.00 0.00 54.97 56.31 1ghk s GLU 77 Cb 0.02 -2.34 -0.00 0.00 -4.31 0.00 0.00 34.13 27.50 1ghk s GLU 77 CO 0.21 0.07 -0.09 0.20 0.01 0.00 0.00 175.26 175.66 1ghk s GLY 78 N -2.14 1.55 0.00 -1.39 0.00 -1.26 -4.68 107.32 99.39 1ghk s GLY 78 Ca 0.58 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1ghk s GLY 78 CO 0.16 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.22