#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yk5 s ALA 2 N 0.00 3.14 -0.04 3.04 0.00 -1.26 -4.84 121.76 121.80 1yk5 s ALA 2 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 51.67 1yk5 s ALA 2 Cb 0.00 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 1yk5 s ALA 2 CO 0.00 -0.76 -0.23 0.15 0.00 0.00 0.00 175.76 174.92 1yk5 s LYS 3 N -5.10 2.18 -0.05 0.00 1.02 -1.26 -1.78 119.74 114.74 1yk5 s LYS 3 Ca 0.54 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.75 1yk5 s LYS 3 Cb -0.11 -1.93 -0.00 0.00 -0.52 0.00 0.00 37.83 35.27 1yk5 s LYS 3 CO 0.50 0.39 -0.20 -1.58 -0.92 0.00 0.00 175.35 173.55 1yk5 s TRP 4 N -0.25 1.98 -0.12 3.18 0.52 -0.20 -1.25 118.94 122.80 1yk5 s TRP 4 Ca 0.00 -0.61 0.01 0.00 0.02 0.00 0.00 56.10 55.53 1yk5 s TRP 4 Cb -0.12 -1.32 -0.01 0.00 -1.15 0.00 0.00 33.47 30.87 1yk5 s TRP 4 CO 0.02 -0.21 -0.17 0.50 0.02 0.00 0.00 176.95 177.11 1yk5 s ARG 5 N 0.04 3.24 -0.04 4.98 3.52 0.28 -0.33 118.95 130.64 1yk5 s ARG 5 Ca -0.06 -0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 54.48 1yk5 s ARG 5 Cb -0.13 -2.51 -0.05 0.00 -1.56 0.00 0.00 34.95 30.70 1yk5 s ARG 5 CO 0.03 0.18 1.47 0.00 -0.81 0.00 0.00 175.30 176.17 1yk5 h LYS 7 N 8.42 0.00 -0.05 0.00 1.57 -1.37 0.21 116.57 125.35 1yk5 h LYS 7 Ca -0.37 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.34 1yk5 h LYS 7 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1yk5 h LYS 7 CO 0.93 0.22 -0.27 0.82 -0.57 0.00 0.00 179.45 180.58 1yk5 h ILE 8 N 0.00 1.45 0.00 1.86 1.08 -1.91 -3.41 117.51 116.58 1yk5 h ILE 8 Ca -0.00 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.74 1yk5 h ILE 8 Cb 0.79 2.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 1yk5 h ILE 8 CO 0.03 0.49 0.00 0.00 -0.69 0.00 0.00 178.15 177.98 1yk5 n GLY 10 N 0.34 0.91 3.74 0.00 0.00 0.06 -5.01 105.19 105.23 1yk5 n GLY 10 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1yk5 n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1yk5 n TYR 11 N -2.00 2.74 -4.23 1.61 9.36 -1.26 -4.63 117.16 118.76 1yk5 n TYR 11 Ca 0.00 0.38 -0.34 0.00 3.32 0.00 0.00 57.90 61.26 1yk5 n TYR 11 Cb 0.00 -2.53 -0.13 0.00 -0.63 0.00 0.00 39.34 36.04 1yk5 n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1yk5 s ILE 12 N -0.54 3.51 -0.34 2.97 1.01 -1.26 -0.81 121.20 125.74 1yk5 s ILE 12 Ca 0.60 -0.47 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 1yk5 s ILE 12 Cb -0.52 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1yk5 s ILE 12 CO 0.56 0.46 0.65 -0.47 0.00 0.00 0.00 174.94 176.14 1yk5 s TYR 13 N 0.91 3.16 -0.35 3.97 5.04 0.55 -4.94 117.35 125.70 1yk5 s TYR 13 Ca -0.01 0.44 -0.10 0.00 -2.44 0.00 0.00 57.07 54.96 1yk5 s TYR 13 Cb -0.15 -3.13 0.02 0.00 0.35 0.00 0.00 41.96 39.05 1yk5 s TYR 13 CO 0.01 -0.60 0.18 0.34 -1.34 0.00 0.00 175.55 174.14 1yk5 s ASP 14 N 1.75 5.62 0.51 4.32 -1.08 -1.26 -1.03 116.67 125.50 1yk5 s ASP 14 Ca 0.26 -0.85 0.24 0.00 -0.52 0.00 0.00 52.55 51.67 1yk5 s ASP 14 Cb -0.14 -2.00 1.33 0.00 -1.46 0.00 0.00 42.92 40.65 1yk5 s ASP 14 CO 0.14 -0.32 1.97 -0.33 0.52 0.00 0.00 175.17 177.15 1yk5 h GLU 15 N 8.39 0.09 0.00 4.34 5.08 -1.60 0.81 114.58 131.68 1yk5 h GLU 15 Ca -0.28 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 1yk5 h GLU 15 Cb 1.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1yk5 h GLU 15 CO 0.64 0.06 -0.24 -0.44 -1.00 0.00 0.00 179.01 178.03 1yk5 h ASP 16 N 0.09 0.00 0.19 1.42 3.32 -1.87 0.23 116.42 119.80 1yk5 h ASP 16 Ca 0.30 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 1yk5 h ASP 16 Cb 1.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1yk5 h ASP 16 CO -0.03 0.24 -1.85 -0.62 -1.72 0.00 0.00 179.24 175.26 1yk5 n GLU 17 N -3.60 0.65 0.00 3.56 -0.58 0.13 -3.76 120.64 117.04 1yk5 n GLU 17 Ca -0.01 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1yk5 n GLU 17 Cb 0.37 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1yk5 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yk5 n GLY 18 N 1.30 1.21 2.32 0.62 0.00 -0.36 -3.86 105.19 106.43 1yk5 n GLY 18 Ca -0.07 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 1yk5 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yk5 n ASP 19 N -2.81 -0.45 -0.10 1.61 2.03 -0.31 -4.64 116.55 111.88 1yk5 n ASP 19 Ca 0.00 -2.88 0.10 0.00 0.52 0.00 0.00 54.79 52.53 1yk5 n ASP 19 Cb 0.00 -0.07 0.45 0.00 -0.72 0.00 0.00 41.12 40.79 1yk5 n ASP 19 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1yk5 h PRO 20 N 3.87 0.50 -0.07 -0.67 0.11 -1.55 -1.23 132.00 132.96 1yk5 h PRO 20 Ca 0.02 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1yk5 h PRO 20 Cb 0.93 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1yk5 h PRO 20 CO 0.43 0.33 0.07 -0.44 -0.21 0.00 0.00 178.00 178.17 1yk5 h ASP 21 N 0.51 0.00 -0.43 -2.05 5.19 -1.96 -1.02 116.42 116.67 1yk5 h ASP 21 Ca 0.27 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.60 1yk5 h ASP 21 Cb 0.40 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.86 1yk5 h ASP 21 CO -0.08 0.00 0.06 0.59 -3.12 0.00 0.00 179.24 176.68 1yk5 n ASN 22 N -4.12 4.08 -0.16 6.45 3.02 -0.55 -4.95 115.26 119.03 1yk5 n ASN 22 Ca -0.01 -3.19 -0.02 0.00 -0.03 0.00 0.00 54.58 51.33 1yk5 n ASN 22 Cb 0.17 -0.62 -0.00 0.00 -0.61 0.00 0.00 39.78 38.71 1yk5 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yk5 n GLY 23 N -0.41 0.43 3.21 7.41 0.00 -0.39 -5.02 105.19 110.42 1yk5 n GLY 23 Ca 0.29 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 1yk5 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yk5 s ILE 24 N -2.08 3.26 0.51 -0.61 -1.09 -0.68 -4.96 121.20 115.54 1yk5 s ILE 24 Ca 0.00 -1.24 -0.14 0.00 -2.23 0.00 0.00 60.65 57.04 1yk5 s ILE 24 Cb 0.00 -2.83 -0.07 0.00 -1.58 0.00 0.00 42.46 37.98 1yk5 s ILE 24 CO 0.00 -0.09 0.94 -0.44 -1.23 0.00 0.00 174.94 174.12 1yk5 s SER 25 N 1.32 6.52 0.24 3.58 0.01 -1.26 -1.16 113.70 122.95 1yk5 s SER 25 Ca -0.03 1.43 -0.28 0.00 1.31 0.00 0.00 55.95 58.37 1yk5 s SER 25 Cb -0.19 -2.45 -0.16 0.00 0.21 0.00 0.00 66.02 63.43 1yk5 s SER 25 CO -0.00 -0.59 0.73 -2.65 0.41 0.00 0.00 173.24 171.14 1yk5 n PRO 26 N -1.73 0.59 -0.49 12.44 -0.02 -1.25 -2.90 135.00 141.63 1yk5 n PRO 26 Ca 0.05 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1yk5 n PRO 26 Cb 0.54 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 1yk5 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yk5 n GLY 27 N 1.66 0.75 3.68 -1.23 0.00 0.80 -4.85 105.19 105.99 1yk5 n GLY 27 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1yk5 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yk5 s THR 28 N -2.23 4.94 0.47 2.61 2.01 -1.14 -4.94 115.64 117.36 1yk5 s THR 28 Ca 0.00 1.49 -0.23 0.00 0.31 0.00 0.00 61.69 63.27 1yk5 s THR 28 Cb 0.00 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.36 1yk5 s THR 28 CO 0.00 0.09 1.16 -0.54 -0.69 0.00 0.00 174.62 174.64 1yk5 s LYS 29 N 1.86 3.71 0.29 4.92 1.02 -1.26 -4.59 119.74 125.69 1yk5 s LYS 29 Ca 0.36 1.76 0.04 0.00 0.02 0.00 0.00 55.97 58.15 1yk5 s LYS 29 Cb -0.17 -2.36 0.68 0.00 -0.52 0.00 0.00 37.83 35.46 1yk5 s LYS 29 CO 0.13 -0.59 1.79 0.35 -0.92 0.00 0.00 175.35 176.10 1yk5 h PHE 30 N 1.95 1.06 -0.19 3.18 3.57 -1.96 0.87 116.94 125.42 1yk5 h PHE 30 Ca -0.49 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.04 1yk5 h PHE 30 Cb 1.25 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1yk5 h PHE 30 CO 0.53 0.28 0.11 0.93 -2.23 0.00 0.00 178.31 177.92 1yk5 h GLU 31 N 0.80 0.25 -0.01 1.11 3.07 -2.01 -2.34 114.58 115.45 1yk5 h GLU 31 Ca 0.55 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1yk5 h GLU 31 Cb 0.79 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1yk5 h GLU 31 CO -0.36 0.18 -0.17 -0.25 -1.40 0.00 0.00 179.01 177.02 1yk5 n ASP 32 N -4.49 0.79 -4.76 1.42 8.00 0.27 -4.86 116.55 112.91 1yk5 n ASP 32 Ca -0.00 -0.79 -0.39 0.00 0.71 0.00 0.00 54.79 54.32 1yk5 n ASP 32 Cb 0.09 0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1yk5 n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yk5 s LEU 33 N -2.45 4.06 0.40 0.64 1.43 -0.88 -4.95 118.68 116.93 1yk5 s LEU 33 Ca 0.28 2.75 -0.23 0.00 -1.03 0.00 0.00 54.13 55.89 1yk5 s LEU 33 Cb 0.20 -4.04 -0.13 0.00 0.03 0.00 0.00 46.19 42.25 1yk5 s LEU 33 CO 0.48 -1.17 0.64 -2.65 0.23 0.00 0.00 176.35 173.89 1yk5 n PRO 34 N -0.35 0.69 0.15 1.29 -0.02 -1.26 -4.84 135.00 130.66 1yk5 n PRO 34 Ca 0.06 0.25 0.14 0.00 -2.02 0.00 0.00 63.50 61.94 1yk5 n PRO 34 Cb 0.44 -1.57 0.69 0.00 -0.02 0.00 0.00 33.50 33.04 1yk5 n PRO 34 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1yk5 h ASP 35 N 0.99 0.00 -0.45 2.55 3.32 -1.93 -1.09 116.42 119.81 1yk5 h ASP 35 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1yk5 h ASP 35 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1yk5 h ASP 35 CO 0.53 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.15 1yk5 n ASP 36 N -4.37 4.54 -4.77 6.45 5.75 -1.26 -4.81 116.55 118.08 1yk5 n ASP 36 Ca 0.03 -2.75 -0.40 0.00 -0.01 0.00 0.00 54.79 51.65 1yk5 n ASP 36 Cb 0.32 -0.56 -0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1yk5 n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1yk5 s TRP 37 N -2.38 2.71 0.23 2.11 -0.00 -0.41 -5.03 118.94 116.16 1yk5 s TRP 37 Ca 0.46 1.31 0.06 0.00 -0.00 0.00 0.00 56.10 57.93 1yk5 s TRP 37 Cb 0.34 -3.83 -0.05 0.00 -0.00 0.00 0.00 33.47 29.93 1yk5 s TRP 37 CO 0.15 -2.49 -0.08 0.14 -0.00 0.00 0.00 176.95 174.68 1yk5 s VAL 38 N -1.19 1.48 0.07 5.86 -7.23 -1.26 -3.99 120.40 114.14 1yk5 s VAL 38 Ca 0.55 -2.12 -0.32 0.00 -1.81 0.00 0.00 61.98 58.28 1yk5 s VAL 38 Cb -0.42 -2.22 -0.11 0.00 0.56 0.00 0.00 36.38 34.19 1yk5 s VAL 38 CO 0.55 -0.46 1.85 0.00 -0.31 0.00 0.00 175.10 176.74 1yk5 h PRO 40 N 8.88 0.00 0.03 0.00 0.11 -1.97 -0.67 132.00 138.38 1yk5 h PRO 40 Ca -0.47 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.27 1yk5 h PRO 40 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1yk5 h PRO 40 CO 0.94 0.00 -2.05 -0.11 -0.21 0.00 0.00 178.00 176.57 1yk5 n LEU 41 N -2.95 2.30 -0.05 2.35 0.00 -1.26 -4.71 117.00 112.68 1yk5 n LEU 41 Ca -0.02 0.23 0.03 0.00 0.00 0.00 0.00 56.01 56.25 1yk5 n LEU 41 Cb 0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 43.42 42.58 1yk5 n LEU 41 CO 0.20 0.63 0.07 0.00 0.00 0.00 0.00 177.39 178.30 1yk5 n GLY 43 N 0.93 0.51 3.78 0.00 0.00 -0.26 -4.97 105.19 105.18 1yk5 n GLY 43 Ca 0.02 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1yk5 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yk5 s ALA 44 N -1.91 2.92 0.95 4.61 0.00 -1.26 -4.51 121.76 122.56 1yk5 s ALA 44 Ca 0.00 0.76 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 1yk5 s ALA 44 Cb 0.00 -3.31 0.16 0.00 0.00 0.00 0.00 23.12 19.97 1yk5 s ALA 44 CO 0.00 -0.46 1.15 -1.25 0.00 0.00 0.00 175.76 175.20 1yk5 s PRO 45 N -2.90 0.80 0.57 0.00 0.04 -1.26 -0.29 135.00 131.96 1yk5 s PRO 45 Ca 0.65 0.18 0.28 0.00 0.04 0.00 0.00 61.00 62.15 1yk5 s PRO 45 Cb -0.22 -1.81 1.72 0.00 0.04 0.00 0.00 34.50 34.22 1yk5 s PRO 45 CO 0.27 -2.40 2.22 0.87 0.04 0.00 0.00 177.00 177.99 1yk5 h LYS 46 N -1.65 0.00 0.00 4.56 1.57 -1.88 -1.70 116.57 117.48 1yk5 h LYS 46 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1yk5 h LYS 46 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1yk5 h LYS 46 CO 0.56 0.02 0.00 0.66 -0.57 0.00 0.00 179.45 180.13 1yk5 h SER 47 N 0.00 0.00 -0.42 0.86 4.64 -1.95 -2.30 113.55 114.38 1yk5 h SER 47 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yk5 h SER 47 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1yk5 h SER 47 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1yk5 n GLU 48 N -2.63 2.05 -3.97 4.77 -0.58 -0.64 -4.89 120.64 114.75 1yk5 n GLU 48 Ca -0.00 -1.62 -0.33 0.00 -0.42 0.00 0.00 57.16 54.79 1yk5 n GLU 48 Cb 0.16 -1.37 -0.05 0.00 -0.57 0.00 0.00 31.44 29.60 1yk5 n GLU 48 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1yk5 s PHE 49 N -1.44 3.45 0.06 -0.32 0.40 -0.87 -0.92 117.98 118.34 1yk5 s PHE 49 Ca 0.32 0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.98 1yk5 s PHE 49 Cb 0.17 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 1yk5 s PHE 49 CO 0.22 0.61 -0.11 -1.83 0.70 0.00 0.00 175.22 174.81 1yk5 s GLU 50 N -1.93 0.69 0.06 0.44 -1.05 -0.61 -4.89 118.70 111.41 1yk5 s GLU 50 Ca 0.26 -0.85 -0.31 0.00 -0.15 0.00 0.00 54.97 53.93 1yk5 s GLU 50 Cb -0.12 -0.59 -0.06 0.00 -0.44 0.00 0.00 34.13 32.91 1yk5 s GLU 50 CO 0.18 0.13 1.25 0.50 0.95 0.00 0.00 175.26 178.27 1yk5 s ARG 51 N -1.62 4.39 0.00 -4.83 3.52 -1.26 -0.55 118.95 118.60 1yk5 s ARG 51 Ca -0.05 1.84 0.09 0.00 -0.13 0.00 0.00 55.73 57.48 1yk5 s ARG 51 Cb -0.10 -3.35 0.03 0.00 -1.56 0.00 0.00 34.95 29.97 1yk5 s ARG 51 CO 0.01 -0.33 0.66 0.44 -0.81 0.00 0.00 175.30 175.28 1yk5 n ILE 52 N 4.01 0.00 -1.30 4.11 -5.35 -0.38 -4.92 119.36 115.53 1yk5 n ILE 52 Ca 0.10 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1yk5 n ILE 52 Cb 0.45 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 1yk5 n ILE 52 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00