#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 2.56 -0.56 6.41 1.04 -1.26 -5.07 113.70 116.82 1gk5 s SER 2 Ca 0.00 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.07 1gk5 s SER 2 Cb 0.00 -0.66 0.24 0.00 0.10 0.00 0.00 66.02 65.70 1gk5 s SER 2 CO 0.00 0.20 0.63 0.00 0.98 0.00 0.00 173.24 175.05 1gk5 n TYR 3 N 3.00 2.17 -0.36 5.02 4.19 -1.26 -4.96 117.16 124.97 1gk5 n TYR 3 Ca -0.17 -3.95 0.04 0.00 3.31 0.00 0.00 57.90 57.12 1gk5 n TYR 3 Cb 0.52 -0.45 0.11 0.00 0.49 0.00 0.00 39.34 40.01 1gk5 n TYR 3 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1gk5 n PRO 4 N 1.27 -0.13 0.00 2.98 -0.02 -1.26 -4.93 135.00 132.91 1gk5 n PRO 4 Ca 0.26 1.51 0.00 0.00 -2.02 0.00 0.00 63.50 63.25 1gk5 n PRO 4 Cb 0.44 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1gk5 n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gk5 n GLY 5 N -1.57 -0.22 3.77 -1.23 0.00 -1.26 -5.04 105.19 99.64 1gk5 n GLY 5 Ca 0.14 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 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 -4.15 1.97 -0.34 0.00 0.04 -1.26 -5.00 135.00 126.26 1gk5 s PRO 7 Ca 0.67 1.11 0.10 0.00 0.04 0.00 0.00 61.00 62.92 1gk5 s PRO 7 Cb -0.21 -1.87 0.45 0.00 0.04 0.00 0.00 34.50 32.92 1gk5 s PRO 7 CO 0.43 -1.83 1.12 0.45 0.04 0.00 0.00 177.00 177.21 1gk5 n SER 8 N -3.64 3.89 0.00 6.66 2.88 -1.26 -4.64 113.62 117.52 1gk5 n SER 8 Ca 0.09 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 1gk5 n SER 8 Cb 0.53 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 -0.53 0.26 0.22 -3.46 3.41 -1.26 -4.73 113.62 107.53 1gk5 n SER 9 Ca 0.32 -0.76 0.14 0.00 -0.26 0.00 0.00 58.87 58.31 1gk5 n SER 9 Cb 0.82 0.10 0.46 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 0.23 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 -2.87 -2.75 -3.91 3.88 2.03 -1.26 -4.20 116.55 107.47 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 -1.41 0.01 0.00 -0.72 0.00 0.00 41.12 39.38 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 -1.27 -0.84 0.25 0.27 0.00 -1.26 -4.85 105.19 97.49 1gk5 n GLY 12 Ca -0.00 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.27 -0.70 -3.05 1.61 3.20 -1.99 -3.41 116.97 111.36 1gk5 h TYR 13 Ca -0.59 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.76 1gk5 h TYR 13 Cb 1.20 0.27 0.05 0.00 1.54 0.00 0.00 36.73 39.79 1gk5 h TYR 13 CO 0.28 -0.34 0.83 0.00 -1.64 0.00 0.00 178.16 177.29 1gk5 s LEU 15 N 0.54 2.64 -0.23 0.00 1.43 -1.23 -4.52 118.68 117.30 1gk5 s LEU 15 Ca 0.66 -1.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 1gk5 s LEU 15 Cb -0.43 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.06 1gk5 s LEU 15 CO 0.36 -0.54 0.29 0.59 0.23 0.00 0.00 176.35 177.28 1gk5 n ASN 16 N -0.96 -6.48 -3.48 2.29 3.02 -1.26 -3.43 115.26 104.96 1gk5 n ASN 16 Ca -0.06 0.34 -0.23 0.00 -0.03 0.00 0.00 54.58 54.60 1gk5 n ASN 16 Cb 0.67 -2.38 0.05 0.00 -0.61 0.00 0.00 39.78 37.51 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 0.56 -1.09 3.26 7.41 0.00 -1.26 -4.59 105.19 109.48 1gk5 n GLY 17 Ca -0.02 0.51 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.38 2.21 -0.41 -0.02 0.00 -1.22 -4.40 107.32 100.10 1gk5 s GLY 18 Ca 0.42 -2.74 -0.18 0.00 0.00 0.00 0.00 44.72 42.22 1gk5 s GLY 18 CO 0.81 1.17 0.49 0.14 0.00 0.00 0.00 173.10 175.70 1gk5 s VAL 19 N 1.11 5.03 0.51 1.40 1.01 -1.22 -4.84 120.40 123.40 1gk5 s VAL 19 Ca 0.08 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 1gk5 s VAL 19 Cb -0.24 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 1gk5 s VAL 19 CO -0.01 -0.40 1.16 0.00 0.00 0.00 0.00 175.10 175.84 1gk5 s MET 21 N -2.51 0.36 -0.41 0.00 0.00 -0.28 -4.92 119.30 111.54 1gk5 s MET 21 Ca 0.69 0.35 -0.25 0.00 0.00 0.00 0.00 55.69 56.47 1gk5 s MET 21 Cb -0.47 -0.46 0.02 0.00 0.00 0.00 0.00 34.83 33.93 1gk5 s MET 21 CO 0.52 -0.79 0.91 -1.58 0.00 0.00 0.00 175.02 174.08 1gk5 s HIS 22 N 2.53 3.00 -0.26 4.11 2.46 -1.26 -2.54 115.29 123.33 1gk5 s HIS 22 Ca 0.11 0.56 -0.22 0.00 0.47 0.00 0.00 55.06 55.98 1gk5 s HIS 22 Cb -0.14 -3.79 -0.01 0.00 -0.13 0.00 0.00 32.58 28.50 1gk5 s HIS 22 CO -0.21 -0.96 0.72 0.42 -2.47 0.00 0.00 174.74 172.24 1gk5 s ILE 23 N 3.59 4.90 0.21 0.89 1.01 -1.07 -4.93 121.20 125.80 1gk5 s ILE 23 Ca 0.37 1.28 -0.01 0.00 0.00 0.00 0.00 60.65 62.29 1gk5 s ILE 23 Cb -0.11 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1gk5 s ILE 23 CO 0.22 -0.05 1.54 -0.08 0.00 0.00 0.00 174.94 176.57 1gk5 h GLU 24 N 7.86 0.47 0.00 2.79 4.81 -1.95 -1.80 114.58 126.76 1gk5 h GLU 24 Ca -0.25 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1gk5 h GLU 24 Cb 1.11 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1gk5 h GLU 24 CO 0.82 0.88 0.00 -1.13 -0.73 0.00 0.00 179.01 178.86 1gk5 n SER 25 N -3.96 0.00 -0.38 1.04 3.41 -1.26 -3.18 113.62 109.30 1gk5 n SER 25 Ca -0.03 0.30 0.38 0.00 -0.26 0.00 0.00 58.87 59.26 1gk5 n SER 25 Cb 0.59 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.24 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 -1.20 1.04 -0.00 -2.01 -3.44 115.31 109.71 1gk5 h LEU 26 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.63 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 -0.47 -0.67 -0.00 0.00 0.00 178.44 177.30 1gk5 n ASP 27 N -3.84 -3.92 -2.44 -0.43 2.03 -0.69 -5.02 116.55 102.24 1gk5 n ASP 27 Ca 0.29 -0.37 -0.12 0.00 0.52 0.00 0.00 54.79 55.11 1gk5 n ASP 27 Cb 1.50 -3.50 -0.04 0.00 -0.72 0.00 0.00 41.12 38.36 1gk5 n ASP 27 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1gk5 n SER 28 N -1.78 -0.66 -4.28 1.67 2.88 -1.15 -5.03 113.62 105.27 1gk5 n SER 28 Ca -0.06 -2.40 -0.33 0.00 -1.33 0.00 0.00 58.87 54.75 1gk5 n SER 28 Cb 0.56 1.36 -0.15 0.00 -0.75 0.00 0.00 64.21 65.24 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 -3.18 2.82 0.19 0.66 2.02 -1.26 -2.58 117.35 116.02 1gk5 s TYR 29 Ca 0.24 -0.99 0.03 0.00 -0.37 0.00 0.00 57.07 55.98 1gk5 s TYR 29 Cb 0.01 -1.92 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 1gk5 s TYR 29 CO 0.17 -0.46 -0.02 0.95 -1.57 0.00 0.00 175.55 174.62 1gk5 s THR 30 N 0.87 0.96 0.05 -0.71 -4.23 -1.05 -5.03 115.64 106.49 1gk5 s THR 30 Ca -0.04 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.50 1gk5 s THR 30 Cb -0.15 -2.16 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 1gk5 s THR 30 CO -0.01 -0.47 -0.14 0.00 -0.54 0.00 0.00 174.62 173.46 1gk5 s ASN 32 N -1.28 6.40 0.19 0.00 3.84 -1.09 -4.95 114.94 118.06 1gk5 s ASN 32 Ca 0.01 0.47 0.10 0.00 0.21 0.00 0.00 52.86 53.65 1gk5 s ASN 32 Cb -0.08 -2.16 -0.04 0.00 -0.55 0.00 0.00 41.25 38.41 1gk5 s ASN 32 CO 0.01 0.14 -0.20 0.00 -2.79 0.00 0.00 177.10 174.27 1gk5 s VAL 34 N -2.08 2.21 0.20 0.00 1.01 -1.26 -5.02 120.40 115.46 1gk5 s VAL 34 Ca 0.20 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1gk5 s VAL 34 Cb -0.06 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 1gk5 s VAL 34 CO 0.09 0.00 1.28 -0.63 0.00 0.00 0.00 175.10 175.84 1gk5 s ILE 35 N -3.34 3.26 0.00 2.22 -1.09 -1.26 -3.14 121.20 117.86 1gk5 s ILE 35 Ca 0.62 1.05 0.00 0.00 -2.23 0.00 0.00 60.65 60.10 1gk5 s ILE 35 Cb -0.10 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1gk5 s ILE 35 CO 0.46 0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.94 1gk5 n GLY 36 N 2.24 1.24 3.67 6.18 0.00 -1.26 -4.93 105.19 112.33 1gk5 n GLY 36 Ca 0.05 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.23 3.29 0.00 1.61 2.02 -1.19 0.60 117.35 122.46 1gk5 s TYR 37 Ca 0.00 0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 1gk5 s TYR 37 Cb 0.00 -2.07 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 1gk5 s TYR 37 CO 0.00 0.22 0.00 -1.13 -1.57 0.00 0.00 175.55 173.07 1gk5 n SER 38 N 3.39 0.00 -4.13 2.29 3.41 -1.23 -4.77 113.62 112.58 1gk5 n SER 38 Ca -0.17 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.09 1gk5 n SER 38 Cb 0.52 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.53 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 0.14 -3.86 3.48 5.00 0.00 -1.23 -4.16 105.19 104.56 1gk5 n GLY 39 Ca 0.00 -0.75 -0.63 0.00 0.00 0.00 0.00 46.02 44.63 1gk5 n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gk5 n ASP 40 N 2.12 1.11 -2.72 1.61 2.03 -1.26 0.22 116.55 119.67 1gk5 n ASP 40 Ca 0.01 1.09 -0.19 0.00 0.52 0.00 0.00 54.79 56.23 1gk5 n ASP 40 Cb 0.55 -0.82 0.05 0.00 -0.72 0.00 0.00 41.12 40.17 1gk5 n ASP 40 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1gk5 n ARG 41 N 3.85 -5.20 -2.37 -0.67 1.74 -1.26 -1.99 116.66 110.75 1gk5 n ARG 41 Ca 0.30 0.69 -0.05 0.00 -0.77 0.00 0.00 57.85 58.02 1gk5 n ARG 41 Cb -0.06 -5.20 -0.00 0.00 -1.02 0.00 0.00 32.46 26.18 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 -0.18 -5.37 0.00 4.57 -1.07 -3.42 114.58 109.11 1gk5 h GLU 43 Ca -0.12 0.01 -0.25 0.00 -1.18 0.00 0.00 59.36 57.82 1gk5 h GLU 43 Cb 1.03 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 1gk5 h GLU 43 CO 0.14 0.11 0.99 1.58 -1.18 0.00 0.00 179.01 180.65 1gk5 n HIS 44 N -4.88 1.08 -2.40 0.92 -0.00 -1.26 -4.87 115.22 103.81 1gk5 n HIS 44 Ca -0.05 0.07 -0.43 0.00 0.46 0.00 0.00 57.72 57.77 1gk5 n HIS 44 Cb 0.18 -2.38 -0.02 0.00 -0.12 0.00 0.00 29.99 27.66 1gk5 n HIS 44 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1gk5 s ALA 45 N 11.78 3.60 -0.49 1.57 0.00 -1.26 -3.51 121.76 133.45 1gk5 s ALA 45 Ca 1.03 0.41 0.05 0.00 0.00 0.00 0.00 51.96 53.46 1gk5 s ALA 45 Cb -0.33 -3.66 0.39 0.00 0.00 0.00 0.00 23.12 19.53 1gk5 s ALA 45 CO 0.24 -1.31 1.05 -3.47 0.00 0.00 0.00 175.76 172.28 1gk5 n ASP 46 N 6.85 4.61 -4.78 0.00 2.03 0.20 -5.00 116.55 120.46 1gk5 n ASP 46 Ca 0.14 -3.70 -0.31 0.00 0.52 0.00 0.00 54.79 51.44 1gk5 n ASP 46 Cb 0.45 -0.49 0.08 0.00 -0.72 0.00 0.00 41.12 40.44 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 -3.51 3.05 -0.35 -2.67 2.01 -1.25 -4.64 118.68 111.31 1gk5 s LEU 47 Ca 0.48 1.79 -0.23 0.00 0.01 0.00 0.00 54.13 56.18 1gk5 s LEU 47 Cb 0.36 -4.52 0.01 0.00 0.01 0.00 0.00 46.19 42.05 1gk5 s LEU 47 CO -0.17 -1.92 0.76 -0.76 1.01 0.00 0.00 176.35 175.26 1gk5 s LEU 48 N -5.84 4.14 0.00 1.79 1.02 -1.26 -5.11 118.68 113.42 1gk5 s LEU 48 Ca 0.61 0.36 0.00 0.00 0.02 0.00 0.00 54.13 55.12 1gk5 s LEU 48 Cb -0.17 -2.99 0.00 0.00 0.02 0.00 0.00 46.19 43.05 1gk5 s LEU 48 CO 0.56 -0.69 0.00 0.00 0.02 0.00 0.00 176.35 176.24