#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 3.91 -0.08 3.04 0.00 -1.26 -4.88 121.76 122.49 1yk5 s ALA 2 Ca 0.00 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.77 1yk5 s ALA 2 Cb 0.00 -1.70 -0.00 0.00 0.00 0.00 0.00 23.12 21.41 1yk5 s ALA 2 CO 0.00 0.26 -0.22 0.15 0.00 0.00 0.00 175.76 175.95 1yk5 s LYS 3 N -3.92 2.63 -0.08 0.00 1.02 -0.56 -1.65 119.74 117.18 1yk5 s LYS 3 Ca 0.34 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.57 1yk5 s LYS 3 Cb -0.09 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1yk5 s LYS 3 CO 0.29 0.20 -0.20 -1.58 -0.92 0.00 0.00 175.35 173.14 1yk5 s TRP 4 N 0.26 2.13 -0.11 3.18 0.52 -0.33 -0.88 118.94 123.70 1yk5 s TRP 4 Ca -0.14 -0.80 0.01 0.00 0.02 0.00 0.00 56.10 55.19 1yk5 s TRP 4 Cb -0.16 -1.45 -0.02 0.00 -1.15 0.00 0.00 33.47 30.69 1yk5 s TRP 4 CO 0.07 -0.33 -0.14 0.50 0.02 0.00 0.00 176.95 177.07 1yk5 s ARG 5 N 0.36 3.16 -0.14 4.98 3.52 0.28 -0.54 118.95 130.56 1yk5 s ARG 5 Ca -0.15 -0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 54.46 1yk5 s ARG 5 Cb -0.16 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 1yk5 s ARG 5 CO 0.06 0.31 1.66 0.00 -0.81 0.00 0.00 175.30 176.53 1yk5 h LYS 7 N 10.38 0.00 0.07 0.00 1.57 -1.23 0.83 116.57 128.18 1yk5 h LYS 7 Ca -0.37 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 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 0.98 0.18 -0.03 0.82 -0.57 0.00 0.00 179.45 180.82 1yk5 h ILE 8 N 0.00 1.22 0.00 1.86 1.08 -1.91 -3.41 117.51 116.36 1yk5 h ILE 8 Ca -0.00 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.19 1yk5 h ILE 8 Cb 0.60 2.02 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 1yk5 h ILE 8 CO 0.02 0.30 0.00 0.00 -0.69 0.00 0.00 178.15 177.79 1yk5 n GLY 10 N 0.36 0.67 3.75 0.00 0.00 0.28 -5.00 105.19 105.25 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 -0.47 0.00 0.00 0.00 173.32 172.85 1yk5 s TYR 11 N -2.68 2.74 -0.20 1.61 5.04 -1.26 -4.67 117.35 117.93 1yk5 s TYR 11 Ca 0.00 0.75 -0.05 0.00 -2.44 0.00 0.00 57.07 55.32 1yk5 s TYR 11 Cb 0.00 -4.09 -0.02 0.00 0.35 0.00 0.00 41.96 38.20 1yk5 s TYR 11 CO 0.00 -3.68 0.00 0.42 -1.34 0.00 0.00 175.55 170.95 1yk5 s ILE 12 N 0.05 3.97 -0.27 3.14 1.01 -1.26 -0.85 121.20 126.98 1yk5 s ILE 12 Ca 0.64 -0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.77 1yk5 s ILE 12 Cb -0.48 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 1yk5 s ILE 12 CO 0.47 0.42 0.70 -0.47 0.00 0.00 0.00 174.94 176.07 1yk5 s TYR 13 N 1.06 3.26 -0.31 3.97 5.04 0.30 -4.95 117.35 125.71 1yk5 s TYR 13 Ca 0.02 0.83 -0.07 0.00 -2.44 0.00 0.00 57.07 55.41 1yk5 s TYR 13 Cb -0.14 -2.99 0.02 0.00 0.35 0.00 0.00 41.96 39.19 1yk5 s TYR 13 CO 0.02 -0.42 0.10 0.34 -1.34 0.00 0.00 175.55 174.25 1yk5 s ASP 14 N 1.51 5.25 0.44 4.32 -1.08 -1.26 -1.19 116.67 124.66 1yk5 s ASP 14 Ca 0.29 -0.83 0.16 0.00 -0.52 0.00 0.00 52.55 51.65 1yk5 s ASP 14 Cb -0.15 -1.90 1.07 0.00 -1.46 0.00 0.00 42.92 40.48 1yk5 s ASP 14 CO 0.10 -0.24 1.95 -0.33 0.52 0.00 0.00 175.17 177.17 1yk5 h GLU 15 N 8.26 0.37 -0.33 4.34 5.08 -1.57 -1.10 114.58 129.63 1yk5 h GLU 15 Ca -0.29 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1yk5 h GLU 15 Cb 1.11 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1yk5 h GLU 15 CO 0.61 0.25 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.37 1yk5 h ASP 16 N 0.38 0.51 0.54 1.42 3.32 -1.88 0.31 116.42 121.03 1yk5 h ASP 16 Ca 0.32 -0.11 -0.29 0.00 0.02 0.00 0.00 57.03 56.97 1yk5 h ASP 16 Cb 0.72 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1yk5 h ASP 16 CO -0.09 0.62 -1.55 -0.33 -1.72 0.00 0.00 179.24 176.17 1yk5 h GLU 17 N 0.50 0.10 0.00 3.56 4.39 -1.65 -3.22 114.58 118.26 1yk5 h GLU 17 Ca 0.10 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1yk5 h GLU 17 Cb 0.41 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1yk5 h GLU 17 CO 0.02 0.84 0.00 0.41 -1.16 0.00 0.00 179.01 179.12 1yk5 n GLY 18 N 1.59 0.50 2.46 -3.84 0.00 -0.52 -3.81 105.19 101.58 1yk5 n GLY 18 Ca -0.15 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.66 -1.08 -0.23 1.61 2.03 -0.36 -4.70 116.55 112.16 1yk5 n ASP 19 Ca 0.00 -3.17 -0.06 0.00 0.52 0.00 0.00 54.79 52.08 1yk5 n ASP 19 Cb 0.00 0.63 0.04 0.00 -0.72 0.00 0.00 41.12 41.07 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 3.52 0.93 0.00 -0.67 0.11 -1.65 -1.45 132.00 132.80 1yk5 h PRO 20 Ca -0.02 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1yk5 h PRO 20 Cb 0.99 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1yk5 h PRO 20 CO 0.36 0.73 0.00 -0.25 -0.21 0.00 0.00 178.00 178.62 1yk5 n ASP 21 N -4.50 0.26 -0.61 -2.05 8.00 -1.26 -0.44 116.55 115.95 1yk5 n ASP 21 Ca 0.05 0.57 0.06 0.00 0.71 0.00 0.00 54.79 56.18 1yk5 n ASP 21 Cb 0.11 -0.62 0.21 0.00 -0.02 0.00 0.00 41.12 40.80 1yk5 n ASP 21 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1yk5 n ASN 22 N -1.79 1.78 0.00 -2.24 2.04 -0.64 -4.99 115.26 109.42 1yk5 n ASN 22 Ca 0.02 -3.87 0.00 0.00 -0.44 0.00 0.00 54.58 50.30 1yk5 n ASN 22 Cb 0.16 -0.53 0.00 0.00 -2.53 0.00 0.00 39.78 36.88 1yk5 n ASN 22 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1yk5 n GLY 23 N -1.13 0.87 3.37 4.83 0.00 0.42 -5.04 105.19 108.50 1yk5 n GLY 23 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.04 4.14 0.49 -0.61 -1.09 -0.64 -4.95 121.20 116.49 1yk5 s ILE 24 Ca 0.00 -0.65 -0.22 0.00 -2.23 0.00 0.00 60.65 57.55 1yk5 s ILE 24 Cb 0.00 -3.14 -0.07 0.00 -1.58 0.00 0.00 42.46 37.67 1yk5 s ILE 24 CO 0.00 0.06 1.21 -0.44 -1.23 0.00 0.00 174.94 174.53 1yk5 s SER 25 N 1.53 5.91 0.28 3.58 0.01 -1.26 -1.22 113.70 122.52 1yk5 s SER 25 Ca 0.03 2.40 -0.28 0.00 1.31 0.00 0.00 55.95 59.41 1yk5 s SER 25 Cb -0.17 -2.61 -0.14 0.00 0.21 0.00 0.00 66.02 63.31 1yk5 s SER 25 CO 0.03 -1.10 0.96 -2.65 0.41 0.00 0.00 173.24 170.90 1yk5 n PRO 26 N -0.69 1.21 -0.65 12.44 -0.02 -1.25 -2.37 135.00 143.68 1yk5 n PRO 26 Ca 0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1yk5 n PRO 26 Cb 0.48 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 1.31 0.76 3.65 -1.23 0.00 0.11 -4.88 105.19 104.92 1yk5 n GLY 27 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.76 4.63 0.56 2.61 2.01 -1.00 -4.94 115.64 116.75 1yk5 s THR 28 Ca 0.00 1.87 -0.18 0.00 0.31 0.00 0.00 61.69 63.69 1yk5 s THR 28 Cb 0.00 -4.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1yk5 s THR 28 CO 0.00 -0.29 1.07 -0.54 -0.69 0.00 0.00 174.62 174.17 1yk5 s LYS 29 N 3.35 3.39 0.24 4.92 1.02 -1.26 -4.61 119.74 126.78 1yk5 s LYS 29 Ca 0.44 1.35 -0.05 0.00 0.02 0.00 0.00 55.97 57.73 1yk5 s LYS 29 Cb -0.14 -2.03 0.38 0.00 -0.52 0.00 0.00 37.83 35.52 1yk5 s LYS 29 CO 0.10 -0.77 1.80 0.35 -0.92 0.00 0.00 175.35 175.91 1yk5 h PHE 30 N 0.84 0.80 0.00 3.18 3.57 -1.94 -0.38 116.94 123.00 1yk5 h PHE 30 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1yk5 h PHE 30 Cb 1.23 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1yk5 h PHE 30 CO 0.56 0.32 0.00 -0.85 -2.23 0.00 0.00 178.31 176.11 1yk5 n GLU 31 N -4.77 0.18 0.00 1.11 0.00 -1.26 -1.82 120.64 114.08 1yk5 n GLU 31 Ca 0.13 0.51 0.12 0.00 0.00 0.00 0.00 57.16 57.92 1yk5 n GLU 31 Cb 0.28 -1.93 0.12 0.00 0.00 0.00 0.00 31.44 29.91 1yk5 n GLU 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1yk5 n ASP 32 N -2.29 2.43 -4.75 -1.84 8.00 -0.17 -4.94 116.55 112.99 1yk5 n ASP 32 Ca 0.01 -1.73 -0.38 0.00 0.71 0.00 0.00 54.79 53.39 1yk5 n ASP 32 Cb 0.16 0.16 0.03 0.00 -0.02 0.00 0.00 41.12 41.46 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 -2.18 3.88 0.36 0.64 1.43 -0.76 -4.93 118.68 117.12 1yk5 s LEU 33 Ca 0.26 2.72 -0.26 0.00 -1.03 0.00 0.00 54.13 55.82 1yk5 s LEU 33 Cb 0.19 -4.25 -0.13 0.00 0.03 0.00 0.00 46.19 42.04 1yk5 s LEU 33 CO 0.40 -1.47 0.88 -2.65 0.23 0.00 0.00 176.35 173.74 1yk5 n PRO 34 N -0.92 1.11 -0.15 1.29 -0.02 -1.26 -4.86 135.00 130.20 1yk5 n PRO 34 Ca 0.10 0.39 0.22 0.00 -2.02 0.00 0.00 63.50 62.19 1yk5 n PRO 34 Cb 0.45 -1.79 0.63 0.00 -0.02 0.00 0.00 33.50 32.77 1yk5 n PRO 34 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1yk5 h ASP 35 N 1.52 0.16 0.33 2.55 2.03 -1.96 -1.95 116.42 119.10 1yk5 h ASP 35 Ca -0.41 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1yk5 h ASP 35 Cb 1.36 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 1yk5 h ASP 35 CO 0.57 0.07 -0.12 -0.90 -1.03 0.00 0.00 179.24 177.83 1yk5 n ASP 36 N -4.39 0.56 -4.77 4.15 5.75 -1.26 -4.91 116.55 111.68 1yk5 n ASP 36 Ca 0.16 -0.65 -0.40 0.00 -0.01 0.00 0.00 54.79 53.89 1yk5 n ASP 36 Cb 0.73 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.75 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 -2.45 3.33 0.15 2.11 -0.00 -0.74 -5.03 118.94 116.31 1yk5 s TRP 37 Ca 0.29 1.60 0.03 0.00 -0.00 0.00 0.00 56.10 58.02 1yk5 s TRP 37 Cb 0.20 -3.38 -0.05 0.00 -0.00 0.00 0.00 33.47 30.24 1yk5 s TRP 37 CO 0.47 -1.01 -0.04 0.14 -0.00 0.00 0.00 176.95 176.51 1yk5 s VAL 38 N -1.25 0.86 -0.08 5.86 -7.23 -1.26 -4.16 120.40 113.15 1yk5 s VAL 38 Ca 0.49 -2.00 -0.36 0.00 -1.81 0.00 0.00 61.98 58.31 1yk5 s VAL 38 Cb -0.33 -1.97 -0.13 0.00 0.56 0.00 0.00 36.38 34.51 1yk5 s VAL 38 CO 0.42 -0.63 1.75 0.00 -0.31 0.00 0.00 175.10 176.33 1yk5 h PRO 40 N 7.76 0.00 0.04 0.00 0.11 -1.96 -1.11 132.00 136.84 1yk5 h PRO 40 Ca -0.47 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 1yk5 h PRO 40 Cb 1.29 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 1yk5 h PRO 40 CO 0.93 0.03 -1.71 -0.11 -0.21 0.00 0.00 178.00 176.92 1yk5 n LEU 41 N -3.24 2.17 -0.05 2.35 0.00 -1.26 -4.72 117.00 112.24 1yk5 n LEU 41 Ca -0.02 0.32 0.02 0.00 0.00 0.00 0.00 56.01 56.33 1yk5 n LEU 41 Cb 0.19 -0.99 -0.00 0.00 0.00 0.00 0.00 43.42 42.61 1yk5 n LEU 41 CO 0.25 0.52 0.12 0.00 0.00 0.00 0.00 177.39 178.28 1yk5 n GLY 43 N 0.72 0.72 3.77 0.00 0.00 -0.42 -4.99 105.19 104.98 1yk5 n GLY 43 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.73 2.97 0.98 4.61 0.00 -1.26 -4.52 121.76 121.82 1yk5 s ALA 44 Ca 0.00 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 1yk5 s ALA 44 Cb 0.00 -3.42 0.18 0.00 0.00 0.00 0.00 23.12 19.88 1yk5 s ALA 44 CO 0.00 -0.79 1.11 -1.25 0.00 0.00 0.00 175.76 174.82 1yk5 s PRO 45 N -2.69 0.56 0.56 0.00 0.04 -1.26 -0.60 135.00 131.61 1yk5 s PRO 45 Ca 0.64 0.43 0.24 0.00 0.04 0.00 0.00 61.00 62.35 1yk5 s PRO 45 Cb -0.31 -1.76 1.56 0.00 0.04 0.00 0.00 34.50 34.03 1yk5 s PRO 45 CO 0.38 -2.62 2.19 0.87 0.04 0.00 0.00 177.00 177.86 1yk5 h LYS 46 N -1.81 0.00 0.00 4.56 1.57 -1.91 -0.87 116.57 118.11 1yk5 h LYS 46 Ca -0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1yk5 h LYS 46 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1yk5 h LYS 46 CO 0.59 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.34 1yk5 n SER 47 N -4.16 0.42 -0.74 0.86 3.41 -1.26 -1.89 113.62 110.26 1yk5 n SER 47 Ca -0.02 0.61 0.07 0.00 -0.26 0.00 0.00 58.87 59.27 1yk5 n SER 47 Cb 0.13 -0.69 0.21 0.00 -0.26 0.00 0.00 64.21 63.60 1yk5 n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1yk5 n GLU 48 N -1.96 1.93 -4.02 4.33 -0.58 -0.33 -4.91 120.64 115.09 1yk5 n GLU 48 Ca 0.03 -1.44 -0.32 0.00 -0.42 0.00 0.00 57.16 55.01 1yk5 n GLU 48 Cb 0.20 -1.34 -0.06 0.00 -0.57 0.00 0.00 31.44 29.68 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 -1.51 3.32 0.05 -0.32 0.40 -0.79 -0.67 117.98 118.46 1yk5 s PHE 49 Ca 0.29 0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 1yk5 s PHE 49 Cb 0.15 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 1yk5 s PHE 49 CO 0.20 0.56 -0.08 -1.83 0.70 0.00 0.00 175.22 174.77 1yk5 s GLU 50 N -2.18 0.57 0.01 0.44 -1.05 -0.60 -4.91 118.70 110.98 1yk5 s GLU 50 Ca 0.28 -0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 53.97 1yk5 s GLU 50 Cb -0.12 -0.31 -0.05 0.00 -0.44 0.00 0.00 34.13 33.21 1yk5 s GLU 50 CO 0.21 0.05 1.31 0.50 0.95 0.00 0.00 175.26 178.28 1yk5 s ARG 51 N -1.83 4.33 -0.00 -4.83 3.52 -1.26 -0.56 118.95 118.32 1yk5 s ARG 51 Ca -0.07 1.87 0.08 0.00 -0.13 0.00 0.00 55.73 57.48 1yk5 s ARG 51 Cb -0.08 -3.49 -0.09 0.00 -1.56 0.00 0.00 34.95 29.73 1yk5 s ARG 51 CO -0.00 -0.47 0.27 0.44 -0.81 0.00 0.00 175.30 174.73 1yk5 n ILE 52 N 4.42 0.00 -1.72 4.11 -5.35 -0.06 -4.93 119.36 115.84 1yk5 n ILE 52 Ca 0.12 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1yk5 n ILE 52 Cb 0.45 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 1yk5 n ILE 52 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00