#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 -0.24 0.24 1.20 0.15 -1.26 -5.18 113.70 108.61 1gk5 s SER 2 Ca 0.00 -0.03 -0.06 0.00 0.70 0.00 0.00 55.95 56.56 1gk5 s SER 2 Cb 0.00 0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1gk5 s SER 2 CO 0.00 -0.64 0.32 -0.31 1.20 0.00 0.00 173.24 173.82 1gk5 s TYR 3 N -2.40 0.82 0.13 3.44 2.02 -1.26 -5.12 117.35 114.99 1gk5 s TYR 3 Ca -0.06 -1.10 -0.23 0.00 -0.37 0.00 0.00 57.07 55.31 1gk5 s TYR 3 Cb -0.01 -0.19 -0.14 0.00 -0.40 0.00 0.00 41.96 41.22 1gk5 s TYR 3 CO -0.02 -0.86 0.47 -2.30 -1.57 0.00 0.00 175.55 171.28 1gk5 n PRO 4 N -0.36 0.00 -0.05 -1.71 -0.02 -1.26 -4.90 135.00 126.70 1gk5 n PRO 4 Ca 0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 1gk5 n PRO 4 Cb 0.64 -0.84 0.05 0.00 -0.02 0.00 0.00 33.50 33.32 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 1.50 -3.47 3.42 -1.23 0.00 -1.26 -4.93 105.19 99.22 1gk5 n GLY 5 Ca 0.14 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.88 2.70 -0.30 0.00 0.05 -1.26 -5.03 135.00 127.30 1gk5 s PRO 7 Ca 0.60 -0.09 0.07 0.00 0.05 0.00 0.00 61.00 61.64 1gk5 s PRO 7 Cb -0.19 -2.24 0.46 0.00 0.05 0.00 0.00 34.50 32.57 1gk5 s PRO 7 CO 0.65 -0.86 1.19 0.43 0.05 0.00 0.00 177.00 178.46 1gk5 n SER 8 N -2.68 4.94 -0.21 6.66 7.64 -1.26 -4.58 113.62 124.12 1gk5 n SER 8 Ca 0.06 -3.75 0.02 0.00 1.01 0.00 0.00 58.87 56.21 1gk5 n SER 8 Cb 0.58 -0.35 0.03 0.00 -1.01 0.00 0.00 64.21 63.47 1gk5 n SER 8 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1gk5 n SER 9 N -0.70 1.62 0.22 6.43 7.64 -1.26 -4.52 113.62 123.04 1gk5 n SER 9 Ca 0.44 -1.37 0.11 0.00 1.01 0.00 0.00 58.87 59.06 1gk5 n SER 9 Cb 0.96 -0.02 0.37 0.00 -1.01 0.00 0.00 64.21 64.51 1gk5 n SER 9 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1gk5 h TYR 10 N 0.94 0.00 -3.64 1.43 0.05 -2.03 -3.48 116.97 110.25 1gk5 h TYR 10 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1gk5 h TYR 10 Cb 0.29 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.08 1gk5 h TYR 10 CO 0.02 0.15 -0.23 -3.47 -1.05 0.00 0.00 178.16 173.59 1gk5 n ASP 11 N -3.21 -3.22 -4.09 3.88 -0.08 -1.26 -3.84 116.55 104.73 1gk5 n ASP 11 Ca 0.02 -0.19 -0.31 0.00 -1.51 0.00 0.00 54.79 52.80 1gk5 n ASP 11 Cb 0.47 -1.74 -0.06 0.00 2.34 0.00 0.00 41.12 42.14 1gk5 n ASP 11 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1gk5 n GLY 12 N -1.43 -0.27 0.24 0.27 0.00 -1.26 -4.83 105.19 97.90 1gk5 n GLY 12 Ca -0.02 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.61 -0.65 -2.94 1.61 3.20 -1.99 -3.41 116.97 111.19 1gk5 h TYR 13 Ca -0.60 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.75 1gk5 h TYR 13 Cb 1.24 0.25 0.04 0.00 1.54 0.00 0.00 36.73 39.80 1gk5 h TYR 13 CO 0.42 -0.32 0.85 0.00 -1.64 0.00 0.00 178.16 177.47 1gk5 s LEU 15 N 0.85 2.84 -0.22 0.00 1.43 -1.25 -4.50 118.68 117.83 1gk5 s LEU 15 Ca 0.68 -1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1gk5 s LEU 15 Cb -0.43 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 44.90 1gk5 s LEU 15 CO 0.33 -0.41 0.23 0.59 0.23 0.00 0.00 176.35 177.33 1gk5 n ASN 16 N -0.93 -6.73 -3.48 2.29 3.02 -1.26 -3.58 115.26 104.59 1gk5 n ASN 16 Ca -0.05 0.48 -0.23 0.00 -0.03 0.00 0.00 54.58 54.75 1gk5 n ASN 16 Cb 0.66 -2.72 0.05 0.00 -0.61 0.00 0.00 39.78 37.16 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 0.64 -1.09 3.28 7.41 0.00 -1.26 -4.62 105.19 109.56 1gk5 n GLY 17 Ca -0.01 0.51 -0.45 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 -3.39 2.44 -0.23 -0.02 0.00 -1.23 -4.38 107.32 100.51 1gk5 s GLY 18 Ca 0.43 -3.05 -0.19 0.00 0.00 0.00 0.00 44.72 41.91 1gk5 s GLY 18 CO 0.81 1.21 0.58 0.14 0.00 0.00 0.00 173.10 175.84 1gk5 s VAL 19 N 0.60 5.04 0.35 1.40 1.01 -1.25 -4.84 120.40 122.70 1gk5 s VAL 19 Ca 0.13 1.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.89 1gk5 s VAL 19 Cb -0.18 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 1gk5 s VAL 19 CO -0.05 0.09 1.19 0.00 0.00 0.00 0.00 175.10 176.33 1gk5 s MET 21 N -1.87 0.65 -0.24 0.00 0.00 -0.98 -4.83 119.30 112.02 1gk5 s MET 21 Ca 0.58 -0.27 -0.25 0.00 0.00 0.00 0.00 55.69 55.75 1gk5 s MET 21 Cb -0.59 -0.22 -0.00 0.00 0.00 0.00 0.00 34.83 34.02 1gk5 s MET 21 CO 0.60 -1.14 0.85 -1.58 0.00 0.00 0.00 175.02 173.75 1gk5 s HIS 22 N 1.97 3.31 -0.34 4.11 2.46 -1.26 -3.51 115.29 122.03 1gk5 s HIS 22 Ca 0.14 1.16 -0.21 0.00 0.47 0.00 0.00 55.06 56.62 1gk5 s HIS 22 Cb -0.10 -3.08 0.00 0.00 -0.13 0.00 0.00 32.58 29.27 1gk5 s HIS 22 CO -0.13 -0.42 0.68 0.42 -2.47 0.00 0.00 174.74 172.82 1gk5 s ILE 23 N 2.89 4.87 0.26 0.89 1.01 -1.20 -4.93 121.20 124.99 1gk5 s ILE 23 Ca 0.36 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.83 1gk5 s ILE 23 Cb -0.15 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.23 1gk5 s ILE 23 CO 0.07 -0.28 1.63 -0.33 0.00 0.00 0.00 174.94 176.03 1gk5 h GLU 24 N 8.35 0.28 0.00 2.79 4.39 -1.95 -1.46 114.58 126.97 1gk5 h GLU 24 Ca -0.26 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1gk5 h GLU 24 Cb 1.11 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1gk5 h GLU 24 CO 0.84 0.71 0.00 -1.13 -1.16 0.00 0.00 179.01 178.28 1gk5 n SER 25 N -3.96 0.00 -0.36 1.42 3.41 -1.26 -3.31 113.62 109.56 1gk5 n SER 25 Ca -0.02 0.30 0.37 0.00 -0.26 0.00 0.00 58.87 59.26 1gk5 n SER 25 Cb 0.54 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.22 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 -1.37 1.04 -0.00 -2.01 -3.44 115.31 109.53 1gk5 h LEU 26 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.64 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 -0.48 -0.67 -0.00 0.00 0.00 178.44 177.29 1gk5 n ASP 27 N -3.96 -3.34 -1.36 -0.43 2.03 -0.56 -5.02 116.55 103.90 1gk5 n ASP 27 Ca 0.28 -0.38 -0.03 0.00 0.52 0.00 0.00 54.79 55.18 1gk5 n ASP 27 Cb 1.40 -3.50 -0.01 0.00 -0.72 0.00 0.00 41.12 38.29 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 -1.96 0.08 -4.28 1.67 2.88 -1.16 -5.04 113.62 105.80 1gk5 n SER 28 Ca -0.10 -1.27 -0.30 0.00 -1.33 0.00 0.00 58.87 55.87 1gk5 n SER 28 Cb 0.58 0.20 -0.16 0.00 -0.75 0.00 0.00 64.21 64.08 1gk5 n SER 28 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1gk5 s TYR 29 N -2.10 2.17 0.09 0.66 5.04 -1.26 -3.21 117.35 118.74 1gk5 s TYR 29 Ca 0.05 -0.41 -0.25 0.00 -2.44 0.00 0.00 57.07 54.01 1gk5 s TYR 29 Cb 0.00 -1.38 0.08 0.00 0.35 0.00 0.00 41.96 41.01 1gk5 s TYR 29 CO 0.03 -0.01 0.67 -0.08 -1.34 0.00 0.00 175.55 174.82 1gk5 s THR 30 N -0.60 0.00 0.10 4.34 -1.32 -1.23 -5.02 115.64 111.91 1gk5 s THR 30 Ca 0.09 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.65 1gk5 s THR 30 Cb -0.09 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.86 1gk5 s THR 30 CO -0.01 0.00 -0.12 0.00 -2.21 0.00 0.00 174.62 172.29 1gk5 s ASN 32 N -2.15 6.73 0.41 0.00 3.84 -0.58 -4.92 114.94 118.27 1gk5 s ASN 32 Ca 0.20 -2.26 -0.10 0.00 0.21 0.00 0.00 52.86 50.91 1gk5 s ASN 32 Cb -0.11 -2.40 -0.06 0.00 -0.55 0.00 0.00 41.25 38.13 1gk5 s ASN 32 CO 0.13 -1.00 0.77 0.00 -2.79 0.00 0.00 177.10 174.21 1gk5 s VAL 34 N -2.40 2.22 -0.01 0.00 1.01 -1.26 -5.00 120.40 114.96 1gk5 s VAL 34 Ca 0.51 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1gk5 s VAL 34 Cb -0.10 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1gk5 s VAL 34 CO 0.32 0.00 1.37 -0.63 0.00 0.00 0.00 175.10 176.16 1gk5 s ILE 35 N -3.32 3.81 0.00 2.22 -1.09 -1.26 -2.72 121.20 118.84 1gk5 s ILE 35 Ca 0.62 1.18 0.00 0.00 -2.23 0.00 0.00 60.65 60.22 1gk5 s ILE 35 Cb -0.10 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1gk5 s ILE 35 CO 0.46 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1gk5 n GLY 36 N 3.61 1.11 3.57 6.18 0.00 -1.26 -4.90 105.19 113.50 1gk5 n GLY 36 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.52 3.20 0.00 1.61 2.02 -1.10 0.13 117.35 121.68 1gk5 s TYR 37 Ca 0.00 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 1gk5 s TYR 37 Cb 0.00 -2.19 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 1gk5 s TYR 37 CO 0.00 -0.06 0.00 0.45 -1.57 0.00 0.00 175.55 174.37 1gk5 n SER 38 N 4.27 0.00 -4.57 2.29 2.88 -1.26 -4.53 113.62 112.70 1gk5 n SER 38 Ca -0.16 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.95 1gk5 n SER 38 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 1gk5 n SER 38 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gk5 n GLY 39 N 0.00 0.82 3.25 0.46 0.00 -1.14 -3.10 105.19 105.49 1gk5 n GLY 39 Ca 0.00 0.78 -0.15 0.00 0.00 0.00 0.00 46.02 46.65 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 12.14 -6.36 -3.36 1.61 2.03 -1.26 0.97 116.55 122.31 1gk5 n ASP 40 Ca 0.33 0.28 -0.16 0.00 0.52 0.00 0.00 54.79 55.75 1gk5 n ASP 40 Cb 0.43 -2.11 0.08 0.00 -0.72 0.00 0.00 41.12 38.80 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 0.60 -4.85 -1.53 -0.67 1.74 -1.24 -1.42 116.66 109.30 1gk5 n ARG 41 Ca -0.03 0.85 -0.03 0.00 -0.77 0.00 0.00 57.85 57.88 1gk5 n ARG 41 Cb 0.53 -5.84 -0.01 0.00 -1.02 0.00 0.00 32.46 26.12 1gk5 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gk5 n GLU 43 N -1.62 0.00 -1.96 0.00 2.13 0.27 -4.32 120.64 115.13 1gk5 n GLU 43 Ca -0.03 0.47 -0.42 0.00 0.66 0.00 0.00 57.16 57.84 1gk5 n GLU 43 Cb 0.23 -1.22 -0.03 0.00 0.27 0.00 0.00 31.44 30.69 1gk5 n GLU 43 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1gk5 s HIS 44 N -1.91 1.87 -0.07 4.31 2.46 0.55 -4.86 115.29 117.64 1gk5 s HIS 44 Ca 0.00 0.20 -0.30 0.00 0.47 0.00 0.00 55.06 55.43 1gk5 s HIS 44 Cb 0.00 -3.97 -0.03 0.00 -0.13 0.00 0.00 32.58 28.45 1gk5 s HIS 44 CO 0.00 -3.90 1.23 0.00 -2.47 0.00 0.00 174.74 169.60 1gk5 s ALA 45 N 4.56 3.53 -0.50 1.58 0.00 -1.26 -2.86 121.76 126.80 1gk5 s ALA 45 Ca 0.76 0.63 0.05 0.00 0.00 0.00 0.00 51.96 53.40 1gk5 s ALA 45 Cb -0.33 -3.54 0.39 0.00 0.00 0.00 0.00 23.12 19.64 1gk5 s ALA 45 CO 0.31 -0.84 1.05 -3.47 0.00 0.00 0.00 175.76 172.81 1gk5 n ASP 46 N 5.42 4.64 -3.21 0.00 2.03 0.34 -5.00 116.55 120.77 1gk5 n ASP 46 Ca 0.12 -3.71 -0.30 0.00 0.52 0.00 0.00 54.79 51.42 1gk5 n ASP 46 Cb 0.46 -0.51 0.29 0.00 -0.72 0.00 0.00 41.12 40.64 1gk5 n ASP 46 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1gk5 n LEU 47 N -0.38 0.00 -1.71 -2.67 4.77 -1.24 -3.54 117.00 112.23 1gk5 n LEU 47 Ca 0.36 -0.85 -0.21 0.00 -0.03 0.00 0.00 56.01 55.28 1gk5 n LEU 47 Cb 0.54 -0.96 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1gk5 n LEU 47 CO 0.34 -2.81 -0.21 0.18 -1.33 0.00 0.00 177.39 173.56 1gk5 n LEU 48 N 0.00 -1.56 0.00 2.23 4.77 -1.26 -5.03 117.00 116.15 1gk5 n LEU 48 Ca 0.13 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1gk5 n LEU 48 Cb 0.58 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 1gk5 n LEU 48 CO 0.38 -0.96 0.00 0.00 -1.33 0.00 0.00 177.39 175.48