#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 3.47 -0.04 3.04 0.00 -1.26 -4.87 121.76 122.10 1yk5 s ALA 2 Ca 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1yk5 s ALA 2 Cb 0.00 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 1yk5 s ALA 2 CO 0.00 -0.22 -0.22 0.15 0.00 0.00 0.00 175.76 175.47 1yk5 s LYS 3 N -4.52 2.05 -0.08 0.00 1.02 -1.26 -1.71 119.74 115.25 1yk5 s LYS 3 Ca 0.46 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.69 1yk5 s LYS 3 Cb -0.10 -1.83 0.01 0.00 -0.52 0.00 0.00 37.83 35.39 1yk5 s LYS 3 CO 0.41 0.38 -0.15 -1.58 -0.92 0.00 0.00 175.35 173.50 1yk5 s TRP 4 N -0.25 1.71 -0.08 3.18 0.52 -0.10 -1.10 118.94 122.83 1yk5 s TRP 4 Ca 0.01 -0.67 0.03 0.00 0.02 0.00 0.00 56.10 55.49 1yk5 s TRP 4 Cb -0.11 -1.22 -0.02 0.00 -1.15 0.00 0.00 33.47 30.97 1yk5 s TRP 4 CO 0.02 -0.32 -0.17 0.50 0.02 0.00 0.00 176.95 176.99 1yk5 s ARG 5 N 0.63 2.81 -0.14 4.98 3.52 0.01 0.09 118.95 130.85 1yk5 s ARG 5 Ca -0.15 -0.75 -0.29 0.00 -0.13 0.00 0.00 55.73 54.41 1yk5 s ARG 5 Cb -0.16 -2.40 -0.02 0.00 -1.56 0.00 0.00 34.95 30.81 1yk5 s ARG 5 CO 0.04 0.42 1.29 0.00 -0.81 0.00 0.00 175.30 176.24 1yk5 h LYS 7 N 8.21 0.00 -0.04 0.00 1.57 -1.38 0.11 116.57 125.03 1yk5 h LYS 7 Ca -0.29 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1yk5 h LYS 7 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1yk5 h LYS 7 CO 0.96 0.19 -0.10 0.82 -0.57 0.00 0.00 179.45 180.74 1yk5 h ILE 8 N 0.00 1.44 0.00 1.86 1.08 -1.91 -3.41 117.51 116.57 1yk5 h ILE 8 Ca -0.00 -1.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.01 1yk5 h ILE 8 Cb 0.65 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 1yk5 h ILE 8 CO 0.02 0.40 0.00 0.00 -0.69 0.00 0.00 178.15 177.88 1yk5 n GLY 10 N 0.00 0.75 3.74 0.00 0.00 0.37 -5.00 105.19 105.05 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 -2.30 2.79 -3.79 1.61 9.36 -1.26 -4.64 117.16 118.94 1yk5 n TYR 11 Ca 0.00 0.25 -0.36 0.00 3.32 0.00 0.00 57.90 61.11 1yk5 n TYR 11 Cb 0.02 -2.59 -0.13 0.00 -0.63 0.00 0.00 39.34 36.00 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 0.08 4.07 -0.36 2.97 1.01 -1.26 -0.75 121.20 126.96 1yk5 s ILE 12 Ca 0.65 -0.29 -0.25 0.00 0.00 0.00 0.00 60.65 60.75 1yk5 s ILE 12 Cb -0.51 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.06 1yk5 s ILE 12 CO 0.47 0.33 0.89 -0.47 0.00 0.00 0.00 174.94 176.17 1yk5 s TYR 13 N 1.57 3.10 -0.34 3.97 5.04 0.11 -4.94 117.35 125.88 1yk5 s TYR 13 Ca 0.06 0.76 -0.10 0.00 -2.44 0.00 0.00 57.07 55.35 1yk5 s TYR 13 Cb -0.15 -3.55 0.01 0.00 0.35 0.00 0.00 41.96 38.62 1yk5 s TYR 13 CO 0.02 -0.77 0.17 0.34 -1.34 0.00 0.00 175.55 173.97 1yk5 s ASP 14 N 1.82 5.61 0.41 4.32 -1.08 -1.26 -0.92 116.67 125.57 1yk5 s ASP 14 Ca 0.37 -0.74 0.13 0.00 -0.52 0.00 0.00 52.55 51.78 1yk5 s ASP 14 Cb -0.12 -2.00 0.97 0.00 -1.46 0.00 0.00 42.92 40.30 1yk5 s ASP 14 CO 0.17 -0.28 1.95 -0.33 0.52 0.00 0.00 175.17 177.21 1yk5 h GLU 15 N 8.38 0.48 0.00 4.34 5.08 -1.58 -0.37 114.58 130.91 1yk5 h GLU 15 Ca -0.29 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1yk5 h GLU 15 Cb 1.13 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1yk5 h GLU 15 CO 0.64 0.31 -0.20 -0.44 -1.00 0.00 0.00 179.01 178.32 1yk5 h ASP 16 N 0.49 0.00 0.38 1.42 3.32 -1.88 0.28 116.42 120.44 1yk5 h ASP 16 Ca 0.32 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.14 1yk5 h ASP 16 Cb 0.58 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1yk5 h ASP 16 CO -0.10 0.20 -1.81 -0.62 -1.72 0.00 0.00 179.24 175.19 1yk5 n GLU 17 N -3.65 0.65 0.00 3.56 -0.58 -0.25 -3.75 120.64 116.62 1yk5 n GLU 17 Ca -0.01 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1yk5 n GLU 17 Cb 0.33 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 1.51 0.83 2.35 0.62 0.00 -0.59 -4.01 105.19 105.90 1yk5 n GLY 18 Ca -0.17 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.55 -0.50 0.29 1.61 2.03 -0.78 -4.67 116.55 111.98 1yk5 n ASP 19 Ca 0.00 -2.98 0.18 0.00 0.52 0.00 0.00 54.79 52.51 1yk5 n ASP 19 Cb 0.00 0.08 0.86 0.00 -0.72 0.00 0.00 41.12 41.34 1yk5 n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1yk5 h PRO 20 N 3.67 0.00 0.00 -0.67 0.13 -1.64 -0.74 132.00 132.75 1yk5 h PRO 20 Ca 0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 1yk5 h PRO 20 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 1yk5 h PRO 20 CO 0.41 0.04 -0.11 -0.44 -0.23 0.00 0.00 178.00 177.67 1yk5 h ASP 21 N 0.00 0.00 -0.46 1.44 3.32 -1.95 -1.34 116.42 117.44 1yk5 h ASP 21 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1yk5 h ASP 21 Cb 0.31 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.78 1yk5 h ASP 21 CO 0.01 0.11 0.09 0.59 -1.72 0.00 0.00 179.24 178.31 1yk5 n ASN 22 N -3.66 3.83 0.00 6.45 3.02 -0.42 -4.95 115.26 119.53 1yk5 n ASN 22 Ca -0.02 -3.30 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 1yk5 n ASN 22 Cb 0.23 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 -0.57 0.53 3.54 7.41 0.00 -0.50 -5.01 105.19 110.58 1yk5 n GLY 23 Ca 0.32 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 5.25 0.38 -0.61 -1.09 -0.43 -4.91 121.20 117.78 1yk5 s ILE 24 Ca 0.00 -0.14 -0.27 0.00 -2.23 0.00 0.00 60.65 58.00 1yk5 s ILE 24 Cb 0.00 -3.65 -0.10 0.00 -1.58 0.00 0.00 42.46 37.13 1yk5 s ILE 24 CO 0.00 0.05 1.38 -0.44 -1.23 0.00 0.00 174.94 174.70 1yk5 s SER 25 N 1.72 6.41 0.17 3.58 0.01 -1.26 -1.86 113.70 122.47 1yk5 s SER 25 Ca 0.06 2.82 -0.34 0.00 1.31 0.00 0.00 55.95 59.81 1yk5 s SER 25 Cb -0.17 -2.65 -0.14 0.00 0.21 0.00 0.00 66.02 63.26 1yk5 s SER 25 CO 0.10 -0.80 1.47 -2.65 0.41 0.00 0.00 173.24 171.78 1yk5 n PRO 26 N 0.40 1.90 0.00 12.44 -0.02 -1.26 -2.13 135.00 146.35 1yk5 n PRO 26 Ca 0.02 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1yk5 n PRO 26 Cb 0.41 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 2.85 0.35 3.67 -1.23 0.00 0.99 -4.86 105.19 106.96 1yk5 n GLY 27 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.96 0.50 2.61 2.01 -0.90 -4.90 115.64 116.91 1yk5 s THR 28 Ca 0.00 1.24 -0.22 0.00 0.31 0.00 0.00 61.69 63.02 1yk5 s THR 28 Cb 0.00 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.65 1yk5 s THR 28 CO 0.00 -0.06 1.21 -0.54 -0.69 0.00 0.00 174.62 174.54 1yk5 s LYS 29 N 3.06 3.52 0.22 4.92 1.02 -1.26 -4.60 119.74 126.62 1yk5 s LYS 29 Ca 0.61 1.87 -0.08 0.00 0.02 0.00 0.00 55.97 58.39 1yk5 s LYS 29 Cb -0.27 -2.30 0.34 0.00 -0.52 0.00 0.00 37.83 35.08 1yk5 s LYS 29 CO 0.22 -0.77 1.71 0.35 -0.92 0.00 0.00 175.35 175.94 1yk5 h PHE 30 N 1.75 0.30 0.00 3.18 3.57 -1.95 0.17 116.94 123.95 1yk5 h PHE 30 Ca -0.50 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.04 1yk5 h PHE 30 Cb 1.26 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1yk5 h PHE 30 CO 0.51 0.00 -0.00 1.05 -2.23 0.00 0.00 178.31 177.64 1yk5 h GLU 31 N 0.32 0.00 -0.12 1.11 4.11 -2.03 -2.16 114.58 115.81 1yk5 h GLU 31 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1yk5 h GLU 31 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1yk5 h GLU 31 CO -0.40 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.43 1yk5 n ASP 32 N -3.10 2.79 -4.76 3.06 8.00 0.56 -4.94 116.55 118.17 1yk5 n ASP 32 Ca -0.02 -1.90 -0.38 0.00 0.71 0.00 0.00 54.79 53.20 1yk5 n ASP 32 Cb 0.14 -0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.85 3.88 0.57 0.64 1.43 -0.81 -4.92 118.68 117.61 1yk5 s LEU 33 Ca 0.32 2.61 -0.19 0.00 -1.03 0.00 0.00 54.13 55.84 1yk5 s LEU 33 Cb 0.21 -4.28 -0.06 0.00 0.03 0.00 0.00 46.19 42.08 1yk5 s LEU 33 CO 0.31 -1.39 0.94 -2.65 0.23 0.00 0.00 176.35 173.78 1yk5 n PRO 34 N -0.91 0.96 -0.32 1.29 -0.02 -1.26 -4.90 135.00 129.84 1yk5 n PRO 34 Ca 0.10 0.37 0.18 0.00 -2.02 0.00 0.00 63.50 62.13 1yk5 n PRO 34 Cb 0.46 -2.11 0.38 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.67 0.20 -0.12 2.55 5.19 -1.97 -1.54 116.42 121.41 1yk5 h ASP 35 Ca -0.48 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1yk5 h ASP 35 Cb 1.36 0.23 0.00 0.00 0.18 0.00 0.00 39.33 41.10 1yk5 h ASP 35 CO 0.52 -0.17 0.00 -0.90 -3.12 0.00 0.00 179.24 175.57 1yk5 n ASP 36 N -5.17 0.93 -4.73 6.45 5.75 -1.26 -4.90 116.55 113.62 1yk5 n ASP 36 Ca 0.26 -1.71 -0.41 0.00 -0.01 0.00 0.00 54.79 52.92 1yk5 n ASP 36 Cb 0.84 -0.08 -0.04 0.00 -1.03 0.00 0.00 41.12 40.81 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 -1.84 3.58 0.20 2.11 -0.00 -0.58 -5.03 118.94 117.37 1yk5 s TRP 37 Ca 0.24 1.55 0.05 0.00 -0.00 0.00 0.00 56.10 57.94 1yk5 s TRP 37 Cb 0.12 -3.28 -0.05 0.00 -0.00 0.00 0.00 33.47 30.27 1yk5 s TRP 37 CO 0.19 -0.65 -0.06 0.14 -0.00 0.00 0.00 176.95 176.57 1yk5 s VAL 38 N 0.18 1.20 -0.21 5.86 -7.23 -1.26 -4.37 120.40 114.58 1yk5 s VAL 38 Ca 0.52 -2.07 -0.38 0.00 -1.81 0.00 0.00 61.98 58.23 1yk5 s VAL 38 Cb -0.28 -2.15 -0.14 0.00 0.56 0.00 0.00 36.38 34.37 1yk5 s VAL 38 CO 0.33 -0.50 1.78 0.00 -0.31 0.00 0.00 175.10 176.40 1yk5 h PRO 40 N 7.78 0.00 0.02 0.00 0.10 -1.96 -0.39 132.00 137.54 1yk5 h PRO 40 Ca -0.47 0.00 -0.23 0.00 0.10 0.00 0.00 66.00 65.40 1yk5 h PRO 40 Cb 1.30 0.00 -0.03 0.00 0.10 0.00 0.00 31.00 32.37 1yk5 h PRO 40 CO 0.95 0.05 -1.25 1.25 0.10 0.00 0.00 178.00 179.10 1yk5 h LEU 41 N 0.00 0.06 0.00 2.35 6.46 -1.99 -3.43 115.31 118.76 1yk5 h LEU 41 Ca -0.00 -0.60 0.00 0.00 -0.12 0.00 0.00 57.88 57.16 1yk5 h LEU 41 Cb 0.21 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1yk5 h LEU 41 CO 0.01 1.50 -0.51 0.00 -0.62 0.00 0.00 178.44 178.81 1yk5 n GLY 43 N 1.28 0.63 3.77 0.00 0.00 -0.16 -5.00 105.19 105.71 1yk5 n GLY 43 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.26 3.38 1.04 4.61 0.00 -1.26 -4.55 121.76 122.73 1yk5 s ALA 44 Ca 0.00 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 1yk5 s ALA 44 Cb 0.00 -3.41 0.21 0.00 0.00 0.00 0.00 23.12 19.92 1yk5 s ALA 44 CO 0.00 -0.48 1.08 -1.25 0.00 0.00 0.00 175.76 175.11 1yk5 s PRO 45 N -1.82 0.07 0.53 0.00 0.04 -1.26 -0.68 135.00 131.89 1yk5 s PRO 45 Ca 0.50 0.60 0.21 0.00 0.04 0.00 0.00 61.00 62.35 1yk5 s PRO 45 Cb -0.35 -1.69 1.44 0.00 0.04 0.00 0.00 34.50 33.94 1yk5 s PRO 45 CO 0.46 -2.99 2.16 0.87 0.04 0.00 0.00 177.00 177.54 1yk5 h LYS 46 N -2.08 0.00 0.00 4.56 1.57 -1.95 -1.36 116.57 117.30 1yk5 h LYS 46 Ca -0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 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 0.56 0.03 0.00 0.66 -0.57 0.00 0.00 179.45 180.13 1yk5 h SER 47 N 0.00 0.00 -0.40 0.86 4.64 -1.97 -2.43 113.55 114.25 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 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 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 -2.64 2.38 -4.08 4.77 -0.58 -0.51 -4.90 120.64 115.08 1yk5 n GLU 48 Ca -0.01 -1.63 -0.32 0.00 -0.42 0.00 0.00 57.16 54.78 1yk5 n GLU 48 Cb 0.12 -1.52 -0.07 0.00 -0.57 0.00 0.00 31.44 29.40 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 -1.61 3.27 0.06 -0.32 0.40 -0.92 -0.94 117.98 117.93 1yk5 s PHE 49 Ca 0.30 0.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.85 1yk5 s PHE 49 Cb 0.18 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 1yk5 s PHE 49 CO 0.16 0.55 -0.12 -1.83 0.70 0.00 0.00 175.22 174.67 1yk5 s GLU 50 N -1.94 0.77 0.07 0.44 -1.05 -0.57 -4.91 118.70 111.51 1yk5 s GLU 50 Ca 0.25 -0.84 -0.30 0.00 -0.15 0.00 0.00 54.97 53.93 1yk5 s GLU 50 Cb -0.12 -0.72 -0.06 0.00 -0.44 0.00 0.00 34.13 32.79 1yk5 s GLU 50 CO 0.17 0.16 1.18 0.50 0.95 0.00 0.00 175.26 178.22 1yk5 s ARG 51 N -1.51 4.45 -0.00 -4.83 3.52 -1.26 -0.81 118.95 118.50 1yk5 s ARG 51 Ca -0.03 1.75 0.07 0.00 -0.13 0.00 0.00 55.73 57.39 1yk5 s ARG 51 Cb -0.09 -3.34 -0.08 0.00 -1.56 0.00 0.00 34.95 29.88 1yk5 s ARG 51 CO 0.02 -0.21 0.27 0.44 -0.81 0.00 0.00 175.30 175.00 1yk5 n ILE 52 N 3.72 0.00 -1.93 4.11 -5.35 -0.26 -4.93 119.36 114.72 1yk5 n ILE 52 Ca 0.08 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1yk5 n ILE 52 Cb 0.46 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 1yk5 n ILE 52 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00