#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gk5 s SER 2 N 0.00 -0.16 -0.61 0.53 0.15 -1.26 -5.11 113.70 107.23 1gk5 s SER 2 Ca 0.00 -0.50 0.04 0.00 0.70 0.00 0.00 55.95 56.19 1gk5 s SER 2 Cb 0.00 0.55 0.16 0.00 -1.71 0.00 0.00 66.02 65.02 1gk5 s SER 2 CO 0.00 -1.02 0.42 -0.72 1.20 0.00 0.00 173.24 173.11 1gk5 s TYR 3 N -3.23 3.04 0.31 3.44 -0.85 -1.26 -4.95 117.35 113.84 1gk5 s TYR 3 Ca 0.13 -3.10 0.06 0.00 -0.52 0.00 0.00 57.07 53.64 1gk5 s TYR 3 Cb -0.02 -2.41 0.85 0.00 0.38 0.00 0.00 41.96 40.75 1gk5 s TYR 3 CO 0.04 -0.63 1.62 -1.35 -1.52 0.00 0.00 175.55 173.71 1gk5 h PRO 4 N 5.71 0.13 0.00 -3.49 0.11 -2.08 -3.47 132.00 128.91 1gk5 h PRO 4 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1gk5 h PRO 4 Cb 0.81 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1gk5 h PRO 4 CO 0.65 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 1gk5 n GLY 5 N -1.38 -0.74 3.71 -0.55 0.00 -1.26 -4.95 105.19 100.02 1gk5 n GLY 5 Ca 0.25 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 1gk5 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gk5 s PRO 7 N -4.64 2.35 -0.35 0.00 0.04 -1.26 -5.00 135.00 126.14 1gk5 s PRO 7 Ca 0.66 1.03 0.10 0.00 0.04 0.00 0.00 61.00 62.83 1gk5 s PRO 7 Cb -0.22 -1.92 0.45 0.00 0.04 0.00 0.00 34.50 32.86 1gk5 s PRO 7 CO 0.56 -1.54 1.11 0.45 0.04 0.00 0.00 177.00 177.62 1gk5 n SER 8 N -3.43 3.82 0.00 6.66 2.88 -1.26 -4.64 113.62 117.64 1gk5 n SER 8 Ca 0.08 -3.33 0.00 0.00 -1.33 0.00 0.00 58.87 54.29 1gk5 n SER 8 Cb 0.54 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1gk5 n SER 8 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1gk5 n SER 9 N -0.51 0.22 0.20 -3.46 3.41 -1.26 -4.73 113.62 107.50 1gk5 n SER 9 Ca 0.31 -0.72 0.14 0.00 -0.26 0.00 0.00 58.87 58.34 1gk5 n SER 9 Cb 0.81 0.11 0.45 0.00 -0.26 0.00 0.00 64.21 65.32 1gk5 n SER 9 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1gk5 h TYR 10 N 0.00 0.00 -3.34 7.33 -1.99 -2.02 -3.48 116.97 113.47 1gk5 h TYR 10 Ca 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1gk5 h TYR 10 Cb 0.22 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.97 1gk5 h TYR 10 CO 0.00 0.00 -0.06 -3.47 -0.00 0.00 0.00 178.16 174.63 1gk5 n ASP 11 N -2.80 -2.75 -3.91 3.88 2.03 -1.26 -4.20 116.55 107.54 1gk5 n ASP 11 Ca 0.03 -0.05 -0.35 0.00 0.52 0.00 0.00 54.79 54.94 1gk5 n ASP 11 Cb 0.38 -1.40 0.01 0.00 -0.72 0.00 0.00 41.12 39.39 1gk5 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gk5 n GLY 12 N -1.28 -0.84 0.23 0.27 0.00 -1.26 -4.85 105.19 97.47 1gk5 n GLY 12 Ca -0.00 0.36 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 1gk5 n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gk5 h TYR 13 N -1.29 -0.65 -2.76 1.61 3.20 -1.99 -3.40 116.97 111.68 1gk5 h TYR 13 Ca -0.59 0.01 -0.53 0.00 3.14 0.00 0.00 58.73 60.75 1gk5 h TYR 13 Cb 1.20 0.26 0.03 0.00 1.54 0.00 0.00 36.73 39.76 1gk5 h TYR 13 CO 0.28 -0.31 0.93 0.00 -1.64 0.00 0.00 178.16 177.42 1gk5 s LEU 15 N 1.94 2.95 -0.22 0.00 1.43 -1.23 -4.46 118.68 119.09 1gk5 s LEU 15 Ca 0.72 -1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 1gk5 s LEU 15 Cb -0.41 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 44.75 1gk5 s LEU 15 CO 0.32 -0.46 0.24 0.59 0.23 0.00 0.00 176.35 177.27 1gk5 n ASN 16 N -1.04 -6.67 -3.44 2.29 3.02 -1.26 -3.59 115.26 104.56 1gk5 n ASN 16 Ca -0.04 0.44 -0.21 0.00 -0.03 0.00 0.00 54.58 54.74 1gk5 n ASN 16 Cb 0.66 -2.62 0.05 0.00 -0.61 0.00 0.00 39.78 37.25 1gk5 n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gk5 n GLY 17 N 0.63 -1.11 3.21 7.41 0.00 -1.26 -4.60 105.19 109.47 1gk5 n GLY 17 Ca -0.01 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 1gk5 n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gk5 s GLY 18 N -3.35 2.21 -0.42 -0.02 0.00 -1.24 -4.36 107.32 100.14 1gk5 s GLY 18 Ca 0.38 -2.78 -0.18 0.00 0.00 0.00 0.00 44.72 42.14 1gk5 s GLY 18 CO 0.80 1.13 0.50 0.14 0.00 0.00 0.00 173.10 175.68 1gk5 s VAL 19 N 0.94 5.01 0.29 1.40 1.01 -1.22 -4.84 120.40 122.99 1gk5 s VAL 19 Ca 0.09 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1gk5 s VAL 19 Cb -0.23 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 31.95 1gk5 s VAL 19 CO -0.02 -0.47 1.58 0.00 0.00 0.00 0.00 175.10 176.19 1gk5 s MET 21 N -0.51 0.08 -0.36 0.00 0.00 -0.32 -4.97 119.30 113.21 1gk5 s MET 21 Ca 0.64 -0.14 -0.25 0.00 0.00 0.00 0.00 55.69 55.94 1gk5 s MET 21 Cb -0.50 -1.74 0.01 0.00 0.00 0.00 0.00 34.83 32.60 1gk5 s MET 21 CO 0.49 -0.72 0.89 -1.58 0.00 0.00 0.00 175.02 174.10 1gk5 s HIS 22 N 2.13 3.09 -0.28 4.11 2.46 -1.26 -2.76 115.29 122.79 1gk5 s HIS 22 Ca 0.03 0.75 -0.21 0.00 0.47 0.00 0.00 55.06 56.10 1gk5 s HIS 22 Cb -0.16 -3.57 -0.01 0.00 -0.13 0.00 0.00 32.58 28.70 1gk5 s HIS 22 CO -0.13 -0.79 0.64 0.42 -2.47 0.00 0.00 174.74 172.42 1gk5 s ILE 23 N 3.38 4.95 0.21 0.89 1.01 -1.10 -4.94 121.20 125.59 1gk5 s ILE 23 Ca 0.37 1.01 -0.02 0.00 0.00 0.00 0.00 60.65 62.01 1gk5 s ILE 23 Cb -0.12 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1gk5 s ILE 23 CO 0.18 -0.07 1.55 -0.08 0.00 0.00 0.00 174.94 176.51 1gk5 h GLU 24 N 8.05 0.55 0.00 2.79 4.57 -1.95 -1.80 114.58 126.79 1gk5 h GLU 24 Ca -0.26 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1gk5 h GLU 24 Cb 1.12 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1gk5 h GLU 24 CO 0.80 0.91 0.00 -1.13 -1.18 0.00 0.00 179.01 178.40 1gk5 n SER 25 N -3.99 0.00 -0.40 1.04 3.41 -1.26 -3.13 113.62 109.29 1gk5 n SER 25 Ca -0.02 0.27 0.39 0.00 -0.26 0.00 0.00 58.87 59.25 1gk5 n SER 25 Cb 0.56 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.20 1gk5 n SER 25 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1gk5 h LEU 26 N 0.00 0.00 -1.22 1.04 -0.00 -2.01 -3.44 115.31 109.69 1gk5 h LEU 26 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.62 1gk5 h LEU 26 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 40.66 40.76 1gk5 h LEU 26 CO 0.00 0.00 -0.50 0.47 -0.00 0.00 0.00 178.44 178.41 1gk5 n ASP 27 N -3.78 -3.94 -2.25 -0.43 8.00 -0.69 -5.02 116.55 108.45 1gk5 n ASP 27 Ca 0.30 -0.40 -0.10 0.00 0.71 0.00 0.00 54.79 55.30 1gk5 n ASP 27 Cb 1.56 -3.68 -0.04 0.00 -0.02 0.00 0.00 41.12 38.95 1gk5 n ASP 27 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1gk5 n SER 28 N -1.95 -0.54 -4.26 -2.24 2.88 -1.15 -5.04 113.62 101.32 1gk5 n SER 28 Ca -0.07 -2.21 -0.33 0.00 -1.33 0.00 0.00 58.87 54.92 1gk5 n SER 28 Cb 0.57 1.14 -0.15 0.00 -0.75 0.00 0.00 64.21 65.01 1gk5 n SER 28 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1gk5 s TYR 29 N -3.11 2.77 0.15 0.66 2.02 -1.26 -2.71 117.35 115.87 1gk5 s TYR 29 Ca 0.21 -1.04 0.02 0.00 -0.37 0.00 0.00 57.07 55.89 1gk5 s TYR 29 Cb 0.01 -1.87 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 1gk5 s TYR 29 CO 0.15 -0.47 -0.03 0.95 -1.57 0.00 0.00 175.55 174.59 1gk5 s THR 30 N 0.77 0.75 0.05 -0.71 -4.23 -1.11 -5.03 115.64 106.12 1gk5 s THR 30 Ca -0.06 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.52 1gk5 s THR 30 Cb -0.15 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 1gk5 s THR 30 CO 0.00 -0.60 -0.15 0.00 -0.54 0.00 0.00 174.62 173.33 1gk5 s ASN 32 N -1.24 6.43 0.26 0.00 3.84 -1.11 -4.95 114.94 118.17 1gk5 s ASN 32 Ca 0.02 0.50 0.12 0.00 0.21 0.00 0.00 52.86 53.71 1gk5 s ASN 32 Cb -0.08 -2.17 -0.05 0.00 -0.55 0.00 0.00 41.25 38.40 1gk5 s ASN 32 CO 0.02 0.13 -0.20 0.00 -2.79 0.00 0.00 177.10 174.26 1gk5 s VAL 34 N -2.31 2.38 0.20 0.00 1.01 -1.26 -5.04 120.40 115.39 1gk5 s VAL 34 Ca 0.28 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1gk5 s VAL 34 Cb -0.06 -2.97 -0.08 0.00 0.00 0.00 0.00 36.38 33.26 1gk5 s VAL 34 CO 0.14 0.00 1.24 -0.63 0.00 0.00 0.00 175.10 175.85 1gk5 s ILE 35 N -3.10 3.40 0.00 2.22 -1.09 -1.26 -3.20 121.20 118.17 1gk5 s ILE 35 Ca 0.60 1.18 0.00 0.00 -2.23 0.00 0.00 60.65 60.20 1gk5 s ILE 35 Cb -0.10 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1gk5 s ILE 35 CO 0.43 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.94 1gk5 n GLY 36 N 2.17 0.96 3.83 6.18 0.00 -1.26 -4.98 105.19 112.08 1gk5 n GLY 36 Ca 0.05 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1gk5 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gk5 s TYR 37 N -1.42 3.51 0.00 1.61 2.02 -1.19 0.17 117.35 122.05 1gk5 s TYR 37 Ca 0.00 0.45 0.00 0.00 -0.37 0.00 0.00 57.07 57.15 1gk5 s TYR 37 Cb 0.00 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.60 1gk5 s TYR 37 CO 0.00 0.62 0.00 -1.13 -1.57 0.00 0.00 175.55 173.47 1gk5 n SER 38 N 2.30 0.00 -4.14 2.29 3.41 -1.24 -4.83 113.62 111.40 1gk5 n SER 38 Ca -0.19 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.06 1gk5 n SER 38 Cb 0.54 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.55 1gk5 n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gk5 n GLY 39 N -0.16 -3.77 3.73 5.00 0.00 -1.25 -4.27 105.19 104.48 1gk5 n GLY 39 Ca 0.00 -0.69 -0.67 0.00 0.00 0.00 0.00 46.02 44.66 1gk5 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gk5 n ASP 40 N 2.17 1.26 -3.11 1.61 8.00 -1.26 0.22 116.55 125.44 1gk5 n ASP 40 Ca 0.02 1.16 -0.22 0.00 0.71 0.00 0.00 54.79 56.46 1gk5 n ASP 40 Cb 0.54 -0.90 0.06 0.00 -0.02 0.00 0.00 41.12 40.80 1gk5 n ASP 40 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gk5 n ARG 41 N 4.23 -6.10 -2.17 -1.24 1.74 -1.26 -1.70 116.66 110.16 1gk5 n ARG 41 Ca 0.32 0.80 -0.04 0.00 -0.77 0.00 0.00 57.85 58.16 1gk5 n ARG 41 Cb -0.05 -5.60 -0.01 0.00 -1.02 0.00 0.00 32.46 25.79 1gk5 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gk5 h GLU 43 N 0.00 -0.06 -6.94 0.00 4.81 -1.21 -3.42 114.58 107.75 1gk5 h GLU 43 Ca -0.10 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.65 1gk5 h GLU 43 Cb 0.89 0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.31 1gk5 h GLU 43 CO 0.12 0.35 0.43 -1.58 -0.73 0.00 0.00 179.01 177.60 1gk5 s HIS 44 N -4.46 3.27 -0.22 0.92 2.46 -1.26 -4.96 115.29 111.04 1gk5 s HIS 44 Ca -0.15 1.64 -0.06 0.00 0.47 0.00 0.00 55.06 56.96 1gk5 s HIS 44 Cb 0.02 -3.19 -0.02 0.00 -0.13 0.00 0.00 32.58 29.25 1gk5 s HIS 44 CO 0.65 -0.74 0.01 0.00 -2.47 0.00 0.00 174.74 172.19 1gk5 s ALA 45 N -1.55 3.04 -0.63 1.58 0.00 -1.26 -3.68 121.76 119.26 1gk5 s ALA 45 Ca 0.56 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1gk5 s ALA 45 Cb -0.25 -1.85 0.38 0.00 0.00 0.00 0.00 23.12 21.40 1gk5 s ALA 45 CO 0.31 -0.27 1.37 -3.47 0.00 0.00 0.00 175.76 173.70 1gk5 n ASP 46 N 4.49 5.61 -4.77 0.00 2.03 0.46 -4.99 116.55 119.38 1gk5 n ASP 46 Ca -0.17 -3.74 -0.41 0.00 0.52 0.00 0.00 54.79 50.99 1gk5 n ASP 46 Cb 0.52 -0.70 -0.01 0.00 -0.72 0.00 0.00 41.12 40.20 1gk5 n ASP 46 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1gk5 s LEU 47 N -3.74 4.38 -0.33 -2.67 1.02 -1.25 -4.65 118.68 111.44 1gk5 s LEU 47 Ca 0.48 2.82 0.09 0.00 0.02 0.00 0.00 54.13 57.55 1gk5 s LEU 47 Cb 0.36 -3.65 0.69 0.00 0.02 0.00 0.00 46.19 43.61 1gk5 s LEU 47 CO -0.23 -0.70 1.76 0.00 0.02 0.00 0.00 176.35 177.20 1gk5 n LEU 48 N 1.06 5.80 0.00 1.79 -0.00 -1.26 -5.13 117.00 119.26 1gk5 n LEU 48 Ca 0.02 -3.34 0.00 0.00 -0.00 0.00 0.00 56.01 52.70 1gk5 n LEU 48 Cb 0.40 -0.73 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 1gk5 n LEU 48 CO 0.61 0.89 0.00 0.00 -0.00 0.00 0.00 177.39 178.89