#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 1.95 0.03 0.00 1.01 -1.04 -4.97 121.20 118.17 1ghk s ILE 2 Ca 0.00 -2.00 -0.30 0.00 0.00 0.00 0.00 60.65 58.34 1ghk s ILE 2 Cb 0.00 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 1ghk s ILE 2 CO 0.00 -0.51 1.28 -0.62 0.00 0.00 0.00 174.94 175.09 1ghk s ASP 3 N 1.10 6.97 -1.15 3.58 -1.08 -1.26 -1.85 116.67 122.98 1ghk s ASP 3 Ca 0.07 2.05 -0.11 0.00 -0.52 0.00 0.00 52.55 54.04 1ghk s ASP 3 Cb -0.19 -2.57 0.23 0.00 -1.46 0.00 0.00 42.92 38.93 1ghk s ASP 3 CO -0.11 -0.59 1.25 -0.63 0.52 0.00 0.00 175.17 175.61 1ghk s ILE 4 N 1.67 5.60 -0.01 4.11 1.01 -0.94 -4.96 121.20 127.67 1ghk s ILE 4 Ca 0.60 -3.09 -0.03 0.00 0.00 0.00 0.00 60.65 58.14 1ghk s ILE 4 Cb -0.30 -4.73 -0.04 0.00 0.01 0.00 0.00 42.46 37.39 1ghk s ILE 4 CO 0.27 -1.37 0.18 -1.59 0.00 0.00 0.00 174.94 172.43 1ghk s LYS 5 N -0.06 3.43 1.00 2.79 -2.85 -1.26 -2.11 119.74 120.68 1ghk s LYS 5 Ca 0.36 -0.32 -0.15 0.00 -1.00 0.00 0.00 55.97 54.86 1ghk s LYS 5 Cb -0.07 -3.09 0.05 0.00 -2.06 0.00 0.00 37.83 32.66 1ghk s LYS 5 CO -0.05 0.68 0.27 0.00 0.10 0.00 0.00 175.35 176.35 1ghk n ALA 6 N 0.98 -3.11 -1.75 0.59 0.00 -0.77 -4.88 120.51 111.56 1ghk n ALA 6 Ca -0.11 -0.82 -0.30 0.00 0.00 0.00 0.00 53.44 52.21 1ghk n ALA 6 Cb 0.53 -1.71 0.05 0.00 0.00 0.00 0.00 19.45 18.32 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 -3.56 2.85 -0.57 0.00 0.04 -1.26 -4.13 135.00 128.37 1ghk s PRO 7 Ca 0.56 0.65 -0.26 0.00 0.04 0.00 0.00 61.00 61.99 1ghk s PRO 7 Cb -0.18 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1ghk s PRO 7 CO 0.67 -1.08 1.08 -0.08 0.04 0.00 0.00 177.00 177.63 1ghk s THR 8 N -3.22 4.18 0.53 1.26 -1.32 -1.26 -4.48 115.64 111.33 1ghk s THR 8 Ca 0.58 0.60 -0.19 0.00 -1.21 0.00 0.00 61.69 61.46 1ghk s THR 8 Cb -0.12 -4.65 -0.06 0.00 -1.51 0.00 0.00 72.50 66.15 1ghk s THR 8 CO 0.53 -1.26 1.08 -0.36 -2.21 0.00 0.00 174.62 172.41 1ghk s PHE 9 N 4.51 2.84 0.98 9.09 0.08 -1.26 -5.04 117.98 129.18 1ghk s PHE 9 Ca 0.37 1.56 -0.16 0.00 0.12 0.00 0.00 56.93 58.82 1ghk s PHE 9 Cb -0.10 -3.16 0.19 0.00 -0.57 0.00 0.00 43.02 39.38 1ghk s PHE 9 CO 0.22 -1.22 1.26 -1.25 -0.10 0.00 0.00 175.22 174.13 1ghk s PRO 10 N -3.38 0.56 0.12 0.24 0.04 -1.26 -4.91 135.00 126.41 1ghk s PRO 10 Ca 0.69 -0.24 -0.22 0.00 0.04 0.00 0.00 61.00 61.27 1ghk s PRO 10 Cb -0.20 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1ghk s PRO 10 CO 0.26 -2.49 1.70 0.93 0.04 0.00 0.00 177.00 177.43 1ghk h GLU 11 N -1.70 -0.11 -0.90 4.56 5.08 -2.04 -2.01 114.58 117.46 1ghk h GLU 11 Ca -0.45 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.15 1ghk h GLU 11 Cb 1.26 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.38 1ghk h GLU 11 CO 0.43 -0.07 0.05 1.03 -1.00 0.00 0.00 179.01 179.44 1ghk h SER 12 N -0.11 -0.38 -3.31 1.42 0.87 -2.04 -3.38 113.55 106.61 1ghk h SER 12 Ca 0.06 0.24 -0.55 0.00 -1.23 0.00 0.00 61.79 60.31 1ghk h SER 12 Cb 0.20 0.41 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 1ghk h SER 12 CO -0.15 -0.27 -0.19 -0.63 -0.53 0.00 0.00 176.83 175.05 1ghk s ILE 13 N -6.03 5.03 -0.06 2.23 1.01 -0.76 -4.99 121.20 117.63 1ghk s ILE 13 Ca -0.13 0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.88 1ghk s ILE 13 Cb 0.27 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 39.24 1ghk s ILE 13 CO 0.77 -0.05 1.02 0.00 0.00 0.00 0.00 174.94 176.68 1ghk n ALA 14 N -0.11 2.02 0.00 9.38 0.00 -1.26 -4.41 120.51 126.12 1ghk n ALA 14 Ca -0.01 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.74 1ghk n ALA 14 Cb 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.76 0.00 -2.29 0.00 5.68 -1.26 -4.83 116.55 113.09 1ghk n ASP 15 Ca 0.07 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.27 1ghk n ASP 15 Cb 0.57 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.52 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 2.55 3.02 6.12 0.00 -0.82 -4.77 105.19 111.29 1ghk n GLY 16 Ca 0.00 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.69 -0.55 1.09 2.61 2.01 -0.64 -0.92 115.64 116.55 1ghk s THR 17 Ca 0.19 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 62.06 1ghk s THR 17 Cb -0.00 -0.67 0.04 0.00 0.01 0.00 0.00 72.50 71.87 1ghk s THR 17 CO 0.14 -0.02 -0.32 0.52 -0.69 0.00 0.00 174.62 174.25 1ghk n VAL 18 N 5.36 0.00 0.00 3.82 0.31 -0.53 -0.88 118.33 126.42 1ghk n VAL 18 Ca -0.06 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1ghk n VAL 18 Cb 0.50 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 -4.18 1.91 -3.64 3.52 0.00 0.38 -3.56 120.51 114.95 1ghk n ALA 19 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 1ghk n ALA 19 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.60 0.00 -0.84 0.00 2.01 -1.23 -3.69 115.64 111.29 1ghk s THR 20 Ca 0.00 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.81 1ghk s THR 20 Cb 0.00 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.63 1ghk s THR 20 CO 0.00 0.00 1.05 0.26 -0.69 0.00 0.00 174.62 175.24 1ghk s TRP 21 N 1.17 3.03 0.00 4.92 0.52 -1.26 -2.72 118.94 124.60 1ghk s TRP 21 Ca -0.06 -1.20 0.00 0.00 0.02 0.00 0.00 56.10 54.86 1ghk s TRP 21 Cb -0.05 -4.25 0.00 0.00 -1.15 0.00 0.00 33.47 28.02 1ghk s TRP 21 CO -0.12 -1.50 0.89 0.72 0.02 0.00 0.00 176.95 176.96 1ghk n HIS 22 N 6.71 0.00 -1.63 -1.98 8.25 -1.24 -4.76 115.22 120.58 1ghk n HIS 22 Ca 0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.53 1ghk n HIS 22 Cb 0.48 -0.39 0.05 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.89 -0.11 -4.24 -0.41 4.01 -1.26 -5.11 118.16 109.16 1ghk n LYS 23 Ca 0.00 -0.65 -0.13 0.00 -0.51 0.00 0.00 58.31 57.02 1ghk n LYS 23 Cb 0.00 -0.32 -0.10 0.00 -0.51 0.00 0.00 35.03 34.10 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 -3.60 1.18 0.23 1.97 1.02 -1.26 -5.02 119.74 114.25 1ghk s LYS 24 Ca 0.21 -1.60 -0.30 0.00 0.02 0.00 0.00 55.97 54.30 1ghk s LYS 24 Cb -0.01 -0.10 -0.09 0.00 -0.52 0.00 0.00 37.83 37.11 1ghk s LYS 24 CO 0.14 -0.24 1.03 -1.25 -0.92 0.00 0.00 175.35 174.12 1ghk s PRO 25 N -4.01 4.72 0.00 -1.68 0.04 -1.26 -3.60 135.00 129.21 1ghk s PRO 25 Ca 0.30 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1ghk s PRO 25 Cb 0.07 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1ghk s PRO 25 CO 0.07 0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.82 1ghk n GLY 26 N 1.54 0.51 1.75 0.56 0.00 -1.26 -4.94 105.19 103.36 1ghk n GLY 26 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.32 0.89 -4.08 1.61 -0.58 -1.24 -4.95 120.64 110.98 1ghk n GLU 27 Ca 0.00 -1.44 -0.32 0.00 -0.42 0.00 0.00 57.16 54.98 1ghk n GLU 27 Cb 0.00 -0.05 -0.07 0.00 -0.57 0.00 0.00 31.44 30.76 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 -2.32 3.58 0.00 0.62 0.00 -1.26 -4.08 121.76 118.30 1ghk s ALA 28 Ca 0.25 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1ghk s ALA 28 Cb -0.02 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1ghk s ALA 28 CO 0.16 0.72 0.00 1.33 0.00 0.00 0.00 175.76 177.97 1ghk n VAL 29 N 0.81 0.00 -3.67 0.00 0.24 -1.25 -5.06 118.33 109.40 1ghk n VAL 29 Ca -0.11 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 1ghk n VAL 29 Cb 0.52 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.81 1ghk n VAL 29 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ghk s LYS 30 N -1.86 0.71 0.75 7.34 2.47 -1.26 -4.40 119.74 123.49 1ghk s LYS 30 Ca 0.00 0.86 -0.17 0.00 -1.56 0.00 0.00 55.97 55.10 1ghk s LYS 30 Cb 0.00 0.34 -0.12 0.00 -1.46 0.00 0.00 37.83 36.59 1ghk s LYS 30 CO 0.00 -0.09 -0.22 -2.13 0.16 0.00 0.00 175.35 173.07 1ghk n ARG 31 N 2.81 0.05 -2.80 4.03 0.63 -1.26 -1.70 116.66 118.42 1ghk n ARG 31 Ca -0.14 0.03 -0.22 0.00 -0.92 0.00 0.00 57.85 56.60 1ghk n ARG 31 Cb 0.56 -1.20 0.02 0.00 0.45 0.00 0.00 32.46 32.29 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 2.14 -6.06 -3.94 6.15 -0.08 -0.44 -4.92 116.55 109.41 1ghk n ASP 32 Ca 0.05 -0.20 -0.30 0.00 -1.51 0.00 0.00 54.79 52.83 1ghk n ASP 32 Cb 0.51 -4.93 -0.16 0.00 2.34 0.00 0.00 41.12 38.88 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 -5.47 1.72 0.99 -0.67 2.12 -0.69 -4.92 118.70 111.78 1ghk s GLU 33 Ca 0.20 -0.74 -0.16 0.00 0.36 0.00 0.00 54.97 54.62 1ghk s GLU 33 Cb -0.09 -2.30 -0.11 0.00 0.26 0.00 0.00 34.13 31.90 1ghk s GLU 33 CO 0.25 -0.46 -0.54 -0.11 -0.54 0.00 0.00 175.26 173.85 1ghk n LEU 34 N 4.76 -4.67 0.00 2.70 7.94 -1.26 -1.53 117.00 124.94 1ghk n LEU 34 Ca -0.13 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1ghk n LEU 34 Cb 0.47 -0.86 0.00 0.00 0.53 0.00 0.00 43.42 43.56 1ghk n LEU 34 CO 0.18 -5.44 0.00 -0.38 -1.11 0.00 0.00 177.39 170.65 1ghk n ILE 35 N -2.78 0.00 -3.63 1.96 5.41 0.13 -4.62 119.36 115.83 1ghk n ILE 35 Ca -0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1ghk n ILE 35 Cb 0.56 -0.17 -0.07 0.00 -0.71 0.00 0.00 39.64 39.25 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 -1.40 0.00 0.09 1.39 0.11 -0.98 -3.62 120.40 116.00 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 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1ghk s VAL 36 CO 0.00 0.00 0.29 -1.81 -3.33 0.00 0.00 175.10 170.25 1ghk s ASP 37 N 0.53 6.43 0.20 3.54 1.01 -1.10 -1.00 116.67 126.29 1ghk s ASP 37 Ca -0.01 0.44 0.10 0.00 0.71 0.00 0.00 52.55 53.79 1ghk s ASP 37 Cb -0.05 -2.03 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 1ghk s ASP 37 CO -0.02 0.12 -0.20 -0.63 0.21 0.00 0.00 175.17 174.65 1ghk s ILE 38 N -1.56 2.13 0.06 0.77 1.01 -0.75 -0.47 121.20 122.39 1ghk s ILE 38 Ca 0.37 -2.08 0.02 0.00 0.00 0.00 0.00 60.65 58.96 1ghk s ILE 38 Cb -0.13 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1ghk s ILE 38 CO 0.25 -0.29 -0.08 -0.70 0.00 0.00 0.00 174.94 174.12 1ghk s GLU 39 N -2.98 0.64 0.31 2.79 -6.30 -0.06 -2.45 118.70 110.65 1ghk s GLU 39 Ca 0.21 -0.95 0.07 0.00 -2.50 0.00 0.00 54.97 51.80 1ghk s GLU 39 Cb -0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 34.13 33.75 1ghk s GLU 39 CO 0.09 0.04 0.27 0.25 0.02 0.00 0.00 175.26 175.93 1ghk n THR 40 N 0.97 0.00 0.00 -1.70 -2.24 0.38 -1.62 114.28 110.08 1ghk n THR 40 Ca -0.19 -2.23 0.00 0.00 -2.27 0.00 0.00 64.05 59.36 1ghk n THR 40 Cb 0.57 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1ghk n THR 40 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ghk n ASP 41 N -1.78 0.00 -1.72 3.42 -0.08 -1.26 -3.61 116.55 111.51 1ghk n ASP 41 Ca 0.07 1.00 -0.04 0.00 -1.51 0.00 0.00 54.79 54.31 1ghk n ASP 41 Cb 0.56 -0.50 0.08 0.00 2.34 0.00 0.00 41.12 43.59 1ghk n ASP 41 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ghk n LYS 42 N -2.86 1.80 -3.90 -0.67 5.02 -1.26 -5.05 118.16 111.23 1ghk n LYS 42 Ca 0.00 -3.28 -0.10 0.00 -2.02 0.00 0.00 58.31 52.91 1ghk n LYS 42 Cb 0.00 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 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 -2.99 0.11 0.11 -0.18 1.01 -1.24 -5.17 120.40 112.06 1ghk s VAL 43 Ca 0.38 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1ghk s VAL 43 Cb 0.37 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1ghk s VAL 43 CO -0.06 -0.51 -0.13 -0.69 0.00 0.00 0.00 175.10 173.72 1ghk s VAL 44 N -2.08 1.19 0.17 2.92 1.01 -1.26 -0.47 120.40 121.89 1ghk s VAL 44 Ca -0.09 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 1ghk s VAL 44 Cb -0.04 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1ghk s VAL 44 CO -0.02 -0.41 0.19 -0.04 0.00 0.00 0.00 175.10 174.81 1ghk s MET 45 N -2.51 1.14 0.14 2.72 -1.94 -1.03 -5.00 119.30 112.83 1ghk s MET 45 Ca 0.06 -1.41 0.06 0.00 -1.71 0.00 0.00 55.69 52.69 1ghk s MET 45 Cb -0.05 0.31 -0.04 0.00 2.01 0.00 0.00 34.83 37.06 1ghk s MET 45 CO 0.02 -0.39 -0.14 -1.21 -0.01 0.00 0.00 175.02 173.30 1ghk s GLU 46 N -4.06 1.09 -0.32 2.03 2.02 -1.26 -1.81 118.70 116.38 1ghk s GLU 46 Ca 0.27 -1.33 0.01 0.00 0.02 0.00 0.00 54.97 53.94 1ghk s GLU 46 Cb 0.05 -0.93 0.10 0.00 0.10 0.00 0.00 34.13 33.46 1ghk s GLU 46 CO 0.06 0.17 0.08 0.08 0.02 0.00 0.00 175.26 175.66 1ghk s VAL 47 N -2.42 1.47 0.33 2.63 1.01 -0.17 -4.91 120.40 118.35 1ghk s VAL 47 Ca 0.12 -1.81 0.07 0.00 0.00 0.00 0.00 61.98 60.37 1ghk s VAL 47 Cb -0.03 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1ghk s VAL 47 CO 0.03 -0.65 0.38 -1.48 0.00 0.00 0.00 175.10 173.39 1ghk s LEU 48 N 1.31 3.81 -0.05 3.92 2.34 -1.26 0.20 118.68 128.95 1ghk s LEU 48 Ca 0.10 -0.32 -0.27 0.00 0.06 0.00 0.00 54.13 53.70 1ghk s LEU 48 Cb -0.18 -2.50 -0.03 0.00 -0.56 0.00 0.00 46.19 42.92 1ghk s LEU 48 CO -0.18 -0.38 0.84 0.00 -1.06 0.00 0.00 176.35 175.57 1ghk s ALA 49 N -2.23 3.27 -1.88 1.48 0.00 -0.58 -4.84 121.76 116.98 1ghk s ALA 49 Ca 0.43 0.31 0.13 0.00 0.00 0.00 0.00 51.96 52.83 1ghk s ALA 49 Cb -0.08 -3.16 0.38 0.00 0.00 0.00 0.00 23.12 20.27 1ghk s ALA 49 CO 0.29 -0.21 1.30 -1.91 0.00 0.00 0.00 175.76 175.23 1ghk n GLU 50 N 3.97 2.09 0.00 0.00 0.00 -1.26 -1.32 120.64 124.11 1ghk n GLU 50 Ca 0.03 -1.55 0.00 0.00 0.00 0.00 0.00 57.16 55.64 1ghk n GLU 50 Cb 0.51 -1.38 0.00 0.00 0.00 0.00 0.00 31.44 30.57 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 0.71 0.00 -0.77 4.31 0.00 -1.26 -4.90 120.51 118.60 1ghk n ALA 51 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 1ghk n ALA 51 Cb 0.39 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.63 0.00 0.00 -0.08 -1.26 -4.53 116.55 108.04 1ghk n ASP 52 Ca 0.00 -0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1ghk n ASP 52 Cb 0.00 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 42.69 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 2.60 -0.10 3.06 0.27 0.00 -1.26 -4.54 105.19 105.22 1ghk n GLY 53 Ca 0.00 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.97 1.57 1.00 1.61 1.01 -1.26 -3.83 120.40 117.53 1ghk s VAL 54 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1ghk s VAL 54 Cb 0.00 -1.44 0.19 0.00 0.00 0.00 0.00 36.38 35.13 1ghk s VAL 54 CO 0.00 0.46 1.10 -0.63 0.00 0.00 0.00 175.10 176.02 1ghk s ILE 55 N 1.11 2.13 -0.06 2.22 1.01 -1.26 -1.85 121.20 124.50 1ghk s ILE 55 Ca -0.03 0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 1ghk s ILE 55 Cb -0.14 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1ghk s ILE 55 CO -0.04 -0.06 -0.13 0.00 0.00 0.00 0.00 174.94 174.71 1ghk n ALA 56 N -4.45 0.81 0.00 9.38 0.00 -0.02 -4.03 120.51 122.21 1ghk n ALA 56 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1ghk n ALA 56 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1ghk n ALA 56 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ghk n GLU 57 N -3.31 0.00 -3.32 0.00 4.07 -1.26 -4.57 120.64 112.26 1ghk n GLU 57 Ca -0.05 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.66 1ghk n GLU 57 Cb 0.20 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.52 1ghk n GLU 57 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1ghk s ILE 58 N -1.14 4.79 -0.19 6.31 -1.09 -1.26 -4.00 121.20 124.63 1ghk s ILE 58 Ca 0.00 1.13 -0.18 0.00 -2.23 0.00 0.00 60.65 59.37 1ghk s ILE 58 Cb 0.00 -3.86 -0.14 0.00 -1.58 0.00 0.00 42.46 36.88 1ghk s ILE 58 CO 0.00 0.54 0.09 0.58 -1.23 0.00 0.00 174.94 174.91 1ghk h VAL 59 N 3.50 0.62 -2.39 2.92 2.07 -1.67 -3.48 116.25 117.82 1ghk h VAL 59 Ca -0.50 -1.81 -0.44 0.00 0.82 0.00 0.00 66.70 64.77 1ghk h VAL 59 Cb 1.21 1.51 0.03 0.00 -1.52 0.00 0.00 31.29 32.53 1ghk h VAL 59 CO 0.63 0.21 -0.12 -0.54 0.02 0.00 0.00 177.57 177.77 1ghk s LYS 60 N -2.32 2.85 0.18 1.57 -0.14 -1.26 -5.10 119.74 115.52 1ghk s LYS 60 Ca -0.24 -0.75 0.05 0.00 -1.36 0.00 0.00 55.97 53.67 1ghk s LYS 60 Cb 0.05 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 1ghk s LYS 60 CO 0.47 -0.39 0.18 -0.80 -0.76 0.00 0.00 175.35 174.05 1ghk s ASN 61 N -4.30 5.67 0.73 2.83 0.01 -1.26 -5.05 114.94 113.57 1ghk s ASN 61 Ca 0.52 -0.10 -0.14 0.00 -0.71 0.00 0.00 52.86 52.43 1ghk s ASN 61 Cb -0.10 -1.52 0.04 0.00 0.41 0.00 0.00 41.25 40.08 1ghk s ASN 61 CO 0.37 0.04 1.16 -1.83 -1.51 0.00 0.00 177.10 175.33 1ghk s GLU 62 N -3.29 2.21 0.00 -0.60 4.04 -1.26 -2.91 118.70 116.88 1ghk s GLU 62 Ca 0.32 1.58 0.00 0.00 0.04 0.00 0.00 54.97 56.91 1ghk s GLU 62 Cb -0.10 -1.86 0.00 0.00 0.02 0.00 0.00 34.13 32.19 1ghk s GLU 62 CO 0.25 -1.74 0.00 0.41 -1.84 0.00 0.00 175.26 172.33 1ghk n GLY 63 N -0.03 0.82 3.91 -3.83 0.00 -1.23 -4.94 105.19 99.90 1ghk n GLY 63 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.75 5.15 -0.25 1.61 2.15 -1.15 -4.88 116.67 116.56 1ghk s ASP 64 Ca 0.00 -0.71 -0.12 0.00 0.43 0.00 0.00 52.55 52.15 1ghk s ASP 64 Cb 0.00 -0.48 -0.05 0.00 -0.30 0.00 0.00 42.92 42.09 1ghk s ASP 64 CO 0.00 -0.74 0.22 -0.89 -0.17 0.00 0.00 175.17 173.59 1ghk s THR 65 N -2.48 5.31 0.14 1.71 2.01 -1.26 -1.46 115.64 119.61 1ghk s THR 65 Ca 0.49 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.79 1ghk s THR 65 Cb -0.05 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.93 1ghk s THR 65 CO 0.29 0.28 0.15 1.33 -0.69 0.00 0.00 174.62 175.99 1ghk n VAL 66 N 4.63 0.00 -4.41 3.82 0.24 -0.10 -4.91 118.33 117.59 1ghk n VAL 66 Ca -0.13 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.34 61.45 1ghk n VAL 66 Cb 0.52 -0.66 -0.09 0.00 -1.47 0.00 0.00 33.84 32.14 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 1.85 0.44 1.34 1.43 -1.26 -1.95 118.68 120.53 1ghk s LEU 67 Ca 0.12 -1.62 -0.25 0.00 -1.03 0.00 0.00 54.13 51.34 1ghk s LEU 67 Cb -0.01 0.08 -0.08 0.00 0.03 0.00 0.00 46.19 46.21 1ghk s LEU 67 CO 0.07 -0.91 1.34 -0.55 0.23 0.00 0.00 176.35 176.53 1ghk s SER 68 N -3.48 6.02 -1.96 2.29 0.15 -1.26 -1.91 113.70 113.56 1ghk s SER 68 Ca 0.31 2.72 0.00 0.00 0.70 0.00 0.00 55.95 59.68 1ghk s SER 68 Cb 0.04 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1ghk s SER 68 CO 0.17 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.17 1ghk n GLY 69 N 0.63 0.50 3.58 9.45 0.00 -1.26 -4.91 105.19 113.18 1ghk n GLY 69 Ca 0.05 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.53 3.64 -0.34 1.61 2.56 -0.80 -4.81 118.70 116.02 1ghk s GLU 70 Ca 0.00 0.36 -0.28 0.00 0.00 0.00 0.00 54.97 55.05 1ghk s GLU 70 Cb 0.00 -3.91 -0.01 0.00 2.00 0.00 0.00 34.13 32.21 1ghk s GLU 70 CO 0.00 -1.26 1.73 -1.17 -0.56 0.00 0.00 175.26 173.99 1ghk s LEU 71 N 4.02 3.52 0.02 2.70 0.20 -1.26 -1.85 118.68 126.03 1ghk s LEU 71 Ca 0.42 1.23 0.23 0.00 0.69 0.00 0.00 54.13 56.69 1ghk s LEU 71 Cb -0.09 -3.53 0.13 0.00 -0.43 0.00 0.00 46.19 42.27 1ghk s LEU 71 CO 0.28 -1.65 1.12 0.18 -0.29 0.00 0.00 176.35 175.99 1ghk n LEU 72 N 9.98 0.67 0.00 -0.68 4.77 -0.90 -4.57 117.00 126.27 1ghk n LEU 72 Ca 0.22 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1ghk n LEU 72 Cb 0.47 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1ghk n LEU 72 CO 0.69 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1ghk n GLY 73 N 1.45 -0.63 3.10 -0.72 0.00 -1.23 -2.12 105.19 105.04 1ghk n GLY 73 Ca 0.04 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 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 0.24 0.09 1.61 1.02 -1.26 -2.21 119.74 117.24 1ghk s LYS 74 Ca 0.00 0.61 -0.06 0.00 0.02 0.00 0.00 55.97 56.54 1ghk s LYS 74 Cb 0.00 -0.09 -0.05 0.00 -0.52 0.00 0.00 37.83 37.17 1ghk s LYS 74 CO 0.00 -0.17 0.34 -1.17 -0.92 0.00 0.00 175.35 173.43 1ghk s LEU 75 N 1.39 4.32 0.57 3.17 0.20 -0.77 -0.84 118.68 126.72 1ghk s LEU 75 Ca -0.09 0.60 -0.00 0.00 0.69 0.00 0.00 54.13 55.33 1ghk s LEU 75 Cb -0.10 -3.06 0.04 0.00 -0.43 0.00 0.00 46.19 42.63 1ghk s LEU 75 CO -0.10 0.13 0.81 -0.89 -0.29 0.00 0.00 176.35 176.02 1ghk s THR 76 N -1.51 2.67 0.03 3.68 2.01 -0.77 -2.51 115.64 119.25 1ghk s THR 76 Ca 0.36 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.61 1ghk s THR 76 Cb -0.13 -3.03 -0.09 0.00 0.01 0.00 0.00 72.50 69.27 1ghk s THR 76 CO 0.21 -0.02 1.25 -0.33 -0.69 0.00 0.00 174.62 175.05 1ghk h GLU 77 N -0.03 -0.52 0.00 4.92 5.08 -1.91 -3.39 114.58 118.72 1ghk h GLU 77 Ca -0.43 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1ghk h GLU 77 Cb 1.30 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1ghk h GLU 77 CO 0.54 -0.35 0.00 0.41 -1.00 0.00 0.00 179.01 178.61 1ghk n GLY 78 N -1.28 0.73 0.00 -3.84 0.00 -1.26 -4.42 105.19 95.12 1ghk n GLY 78 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93