#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yk4 s LYS 3 N 0.00 1.14 -0.03 0.00 1.02 -1.26 -1.20 119.74 119.41 1yk4 s LYS 3 Ca 0.00 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.14 1yk4 s LYS 3 Cb 0.00 -1.22 0.02 0.00 -0.52 0.00 0.00 37.83 36.11 1yk4 s LYS 3 CO 0.00 0.30 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.18 1yk4 s LEU 4 N -1.21 1.50 0.02 3.17 1.02 0.13 -1.23 118.68 122.09 1yk4 s LEU 4 Ca 0.04 -0.12 -0.21 0.00 0.02 0.00 0.00 54.13 53.87 1yk4 s LEU 4 Cb -0.08 -0.41 -0.06 0.00 0.02 0.00 0.00 46.19 45.66 1yk4 s LEU 4 CO 0.02 -0.02 0.61 -0.94 0.02 0.00 0.00 176.35 176.03 1yk4 s SER 5 N 0.63 7.02 0.08 2.29 1.04 0.06 -0.44 113.70 124.39 1yk4 s SER 5 Ca -0.08 1.22 -0.31 0.00 0.48 0.00 0.00 55.95 57.26 1yk4 s SER 5 Cb -0.11 -2.37 -0.08 0.00 0.10 0.00 0.00 66.02 63.55 1yk4 s SER 5 CO 0.00 0.14 1.46 0.00 0.98 0.00 0.00 173.24 175.82 1yk4 h LYS 7 N 7.34 0.04 -0.25 0.00 1.57 -1.27 -3.28 116.57 120.72 1yk4 h LYS 7 Ca -0.41 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1yk4 h LYS 7 Cb 1.20 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1yk4 h LYS 7 CO 0.89 0.32 0.00 0.44 -0.57 0.00 0.00 179.45 180.53 1yk4 n ILE 8 N -4.20 1.94 -3.88 1.86 -5.35 -1.26 -5.00 119.36 103.47 1yk4 n ILE 8 Ca -0.02 -1.70 -0.09 0.00 -0.27 0.00 0.00 62.75 60.66 1yk4 n ILE 8 Cb 0.33 -0.07 -0.01 0.00 -1.74 0.00 0.00 39.64 38.16 1yk4 n ILE 8 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yk4 n GLY 10 N -0.50 -0.92 3.76 0.00 0.00 -1.26 -4.49 105.19 101.78 1yk4 n GLY 10 Ca -0.05 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1yk4 n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yk4 s TYR 11 N -2.02 2.61 -0.11 1.61 5.04 -1.26 -4.91 117.35 118.31 1yk4 s TYR 11 Ca 0.47 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 1yk4 s TYR 11 Cb 0.22 -3.54 0.02 0.00 0.35 0.00 0.00 41.96 39.01 1yk4 s TYR 11 CO 0.37 -2.07 -0.10 0.42 -1.34 0.00 0.00 175.55 172.83 1yk4 s ILE 12 N -1.47 1.14 -0.38 3.14 1.01 -1.26 -1.36 121.20 122.02 1yk4 s ILE 12 Ca 0.68 -0.39 -0.24 0.00 0.00 0.00 0.00 60.65 60.70 1yk4 s ILE 12 Cb -0.33 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1yk4 s ILE 12 CO 0.39 0.38 0.82 -0.47 0.00 0.00 0.00 174.94 176.06 1yk4 s TYR 13 N 1.43 3.08 -0.26 3.97 5.04 0.42 -4.92 117.35 126.10 1yk4 s TYR 13 Ca 0.00 0.54 -0.09 0.00 -2.44 0.00 0.00 57.07 55.09 1yk4 s TYR 13 Cb -0.13 -3.52 -0.04 0.00 0.35 0.00 0.00 41.96 38.62 1yk4 s TYR 13 CO -0.06 -0.81 0.11 0.34 -1.34 0.00 0.00 175.55 173.79 1yk4 s ASP 14 N 1.91 5.42 0.48 4.32 -1.08 -1.26 -0.70 116.67 125.77 1yk4 s ASP 14 Ca 0.33 -0.14 0.21 0.00 -0.52 0.00 0.00 52.55 52.43 1yk4 s ASP 14 Cb -0.13 -1.99 1.25 0.00 -1.46 0.00 0.00 42.92 40.59 1yk4 s ASP 14 CO 0.19 -0.04 1.95 -0.33 0.52 0.00 0.00 175.17 177.45 1yk4 h GLU 15 N 8.27 0.19 0.00 4.34 5.08 -1.40 0.13 114.58 131.20 1yk4 h GLU 15 Ca -0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1yk4 h GLU 15 Cb 1.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1yk4 h GLU 15 CO 0.57 0.12 0.00 -0.44 -1.00 0.00 0.00 179.01 178.26 1yk4 h ASP 16 N 0.19 0.00 0.26 1.42 5.19 -1.87 0.22 116.42 121.83 1yk4 h ASP 16 Ca 0.33 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.41 1yk4 h ASP 16 Cb 1.02 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.48 1yk4 h ASP 16 CO -0.06 0.00 -2.01 -0.62 -3.12 0.00 0.00 179.24 173.43 1yk4 n GLU 17 N -2.38 0.67 0.00 3.56 -0.58 0.35 -3.97 120.64 118.29 1yk4 n GLU 17 Ca 0.03 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1yk4 n GLU 17 Cb 0.32 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1yk4 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yk4 n GLY 18 N 1.74 0.47 2.21 0.62 0.00 -0.55 -3.77 105.19 105.91 1yk4 n GLY 18 Ca -0.26 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 1yk4 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yk4 n ASP 19 N -2.37 0.52 0.15 1.61 2.03 -0.35 -4.70 116.55 113.42 1yk4 n ASP 19 Ca 0.00 -2.81 0.02 0.00 0.52 0.00 0.00 54.79 52.52 1yk4 n ASP 19 Cb 0.00 -0.63 0.36 0.00 -0.72 0.00 0.00 41.12 40.12 1yk4 n ASP 19 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1yk4 h PRO 20 N 3.73 0.14 0.00 -0.67 0.11 -1.66 -1.62 132.00 132.02 1yk4 h PRO 20 Ca 0.08 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 1yk4 h PRO 20 Cb 0.89 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1yk4 h PRO 20 CO 0.49 0.40 -0.09 0.22 -0.21 0.00 0.00 178.00 178.81 1yk4 h ASP 21 N 0.13 0.00 -0.40 -2.05 -0.00 -1.95 -2.26 116.42 109.88 1yk4 h ASP 21 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.05 1yk4 h ASP 21 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.88 1yk4 h ASP 21 CO 0.04 0.09 0.00 0.59 -0.00 0.00 0.00 179.24 179.96 1yk4 n ASN 22 N -3.57 3.87 0.00 2.28 3.02 -0.82 -4.98 115.26 115.05 1yk4 n ASN 22 Ca -0.02 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 1yk4 n ASN 22 Cb 0.22 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1yk4 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yk4 n GLY 23 N 0.31 0.71 3.29 7.41 0.00 -0.85 -5.06 105.19 111.00 1yk4 n GLY 23 Ca 0.19 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1yk4 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yk4 s ILE 24 N -2.00 3.67 0.60 -0.61 -1.09 -0.67 -4.99 121.20 116.11 1yk4 s ILE 24 Ca 0.00 -0.93 -0.18 0.00 -2.23 0.00 0.00 60.65 57.31 1yk4 s ILE 24 Cb 0.00 -2.96 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 1yk4 s ILE 24 CO 0.00 0.01 1.16 -0.55 -1.23 0.00 0.00 174.94 174.33 1yk4 s SER 25 N 1.42 5.24 0.41 3.58 0.15 -1.26 -1.22 113.70 122.03 1yk4 s SER 25 Ca 0.00 2.24 -0.25 0.00 0.70 0.00 0.00 55.95 58.64 1yk4 s SER 25 Cb -0.18 -2.58 -0.11 0.00 -1.71 0.00 0.00 66.02 61.44 1yk4 s SER 25 CO 0.01 -1.55 1.02 -2.65 1.20 0.00 0.00 173.24 171.27 1yk4 n PRO 26 N -1.78 1.37 -0.42 5.44 -0.02 -1.25 -2.40 135.00 135.94 1yk4 n PRO 26 Ca 0.12 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1yk4 n PRO 26 Cb 0.51 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1yk4 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yk4 n GLY 27 N 1.18 0.80 3.66 -1.23 0.00 0.75 -4.85 105.19 105.50 1yk4 n GLY 27 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1yk4 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yk4 s THR 28 N -2.89 4.23 0.59 2.61 2.01 -1.01 -4.88 115.64 116.30 1yk4 s THR 28 Ca 0.00 1.48 -0.18 0.00 0.31 0.00 0.00 61.69 63.30 1yk4 s THR 28 Cb 0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1yk4 s THR 28 CO 0.00 -0.14 1.14 -0.54 -0.69 0.00 0.00 174.62 174.39 1yk4 s LYS 29 N 3.56 3.07 0.27 4.92 1.02 -1.26 -4.55 119.74 126.77 1yk4 s LYS 29 Ca 0.56 1.58 -0.01 0.00 0.02 0.00 0.00 55.97 58.12 1yk4 s LYS 29 Cb -0.22 -1.97 0.48 0.00 -0.52 0.00 0.00 37.83 35.60 1yk4 s LYS 29 CO 0.16 -1.07 1.83 0.35 -0.92 0.00 0.00 175.35 175.70 1yk4 h PHE 30 N 0.73 1.03 -0.01 3.18 3.57 -1.94 0.37 116.94 123.87 1yk4 h PHE 30 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1yk4 h PHE 30 Cb 1.26 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1yk4 h PHE 30 CO 0.51 0.42 0.02 1.05 -2.23 0.00 0.00 178.31 178.08 1yk4 h GLU 31 N 0.93 0.00 -0.01 1.11 4.11 -2.03 -1.95 114.58 116.74 1yk4 h GLU 31 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 1yk4 h GLU 31 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1yk4 h GLU 31 CO -0.25 0.00 -0.35 -0.25 0.07 0.00 0.00 179.01 178.23 1yk4 n ASP 32 N -3.70 1.72 -4.77 3.06 8.00 0.09 -4.91 116.55 116.04 1yk4 n ASP 32 Ca -0.03 -1.33 -0.41 0.00 0.71 0.00 0.00 54.79 53.73 1yk4 n ASP 32 Cb 0.10 0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 1yk4 n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yk4 s LEU 33 N -2.43 4.35 0.53 0.64 1.43 -0.74 -4.94 118.68 117.52 1yk4 s LEU 33 Ca 0.22 2.90 -0.20 0.00 -1.03 0.00 0.00 54.13 56.03 1yk4 s LEU 33 Cb 0.19 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 1yk4 s LEU 33 CO 0.52 -0.79 0.63 -2.65 0.23 0.00 0.00 176.35 174.30 1yk4 n PRO 34 N 1.15 0.66 -0.14 1.29 -0.02 -1.26 -4.87 135.00 131.81 1yk4 n PRO 34 Ca 0.03 0.25 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 1yk4 n PRO 34 Cb 0.39 -1.75 0.42 0.00 -0.02 0.00 0.00 33.50 32.54 1yk4 n PRO 34 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1yk4 h ASP 35 N 0.53 0.53 -0.45 2.55 3.32 -1.96 -1.84 116.42 119.09 1yk4 h ASP 35 Ca -0.45 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1yk4 h ASP 35 Cb 1.39 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1yk4 h ASP 35 CO 0.49 0.32 0.00 0.47 -1.72 0.00 0.00 179.24 178.81 1yk4 n ASP 36 N -4.48 2.65 -4.77 6.45 10.43 -1.26 -4.70 116.55 120.86 1yk4 n ASP 36 Ca 0.11 -1.96 -0.41 0.00 2.57 0.00 0.00 54.79 55.10 1yk4 n ASP 36 Cb 0.31 -0.30 -0.01 0.00 1.84 0.00 0.00 41.12 42.97 1yk4 n ASP 36 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 1yk4 s TRP 37 N -1.40 2.69 0.18 1.24 -0.00 -0.69 -5.00 118.94 115.95 1yk4 s TRP 37 Ca 0.34 1.18 0.03 0.00 -0.00 0.00 0.00 56.10 57.65 1yk4 s TRP 37 Cb 0.18 -3.96 -0.05 0.00 -0.00 0.00 0.00 33.47 29.64 1yk4 s TRP 37 CO 0.24 -2.83 -0.03 0.14 -0.00 0.00 0.00 176.95 174.48 1yk4 s VAL 38 N -1.02 0.91 0.17 5.86 -7.23 -1.26 -3.80 120.40 114.03 1yk4 s VAL 38 Ca 0.53 -2.01 -0.34 0.00 -1.81 0.00 0.00 61.98 58.35 1yk4 s VAL 38 Cb -0.45 -2.10 -0.14 0.00 0.56 0.00 0.00 36.38 34.24 1yk4 s VAL 38 CO 0.60 -0.51 1.49 0.00 -0.31 0.00 0.00 175.10 176.37 1yk4 n PRO 40 N 2.92 0.12 -0.12 0.00 -0.02 -1.26 -1.21 135.00 135.43 1yk4 n PRO 40 Ca 0.16 0.08 -0.22 0.00 -2.02 0.00 0.00 63.50 61.50 1yk4 n PRO 40 Cb 0.28 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.14 1yk4 n PRO 40 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1yk4 n LEU 41 N -1.42 2.63 0.00 2.45 4.77 -1.26 -4.82 117.00 119.34 1yk4 n LEU 41 Ca 0.08 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1yk4 n LEU 41 Cb 0.25 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1yk4 n LEU 41 CO 0.21 0.81 0.16 0.00 -1.33 0.00 0.00 177.39 177.23 1yk4 n GLY 43 N 0.24 0.65 3.76 0.00 0.00 -0.35 -4.95 105.19 104.53 1yk4 n GLY 43 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1yk4 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yk4 s ALA 44 N -2.67 2.97 0.89 4.61 0.00 -1.26 -4.46 121.76 121.84 1yk4 s ALA 44 Ca 0.00 1.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 1yk4 s ALA 44 Cb 0.00 -3.45 0.14 0.00 0.00 0.00 0.00 23.12 19.80 1yk4 s ALA 44 CO 0.00 -0.89 1.24 -1.25 0.00 0.00 0.00 175.76 174.85 1yk4 s PRO 45 N -2.69 1.31 0.44 0.00 0.04 -1.26 -0.41 135.00 132.43 1yk4 s PRO 45 Ca 0.65 -0.10 0.14 0.00 0.04 0.00 0.00 61.00 61.73 1yk4 s PRO 45 Cb -0.33 -1.89 1.05 0.00 0.04 0.00 0.00 34.50 33.36 1yk4 s PRO 45 CO 0.41 -2.01 1.98 0.87 0.04 0.00 0.00 177.00 178.29 1yk4 h LYS 46 N -1.35 0.37 0.00 4.56 1.57 -1.84 -0.32 116.57 119.55 1yk4 h LYS 46 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1yk4 h LYS 46 Cb 1.29 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1yk4 h LYS 46 CO 0.53 0.24 0.00 -1.13 -0.57 0.00 0.00 179.45 178.53 1yk4 n SER 47 N -4.47 0.44 -1.50 0.86 3.41 -1.26 -1.90 113.62 109.20 1yk4 n SER 47 Ca 0.10 0.67 0.09 0.00 -0.26 0.00 0.00 58.87 59.46 1yk4 n SER 47 Cb 0.38 -0.74 0.34 0.00 -0.26 0.00 0.00 64.21 63.93 1yk4 n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1yk4 n GLU 48 N -2.06 3.86 -4.19 4.33 -0.58 -0.13 -4.93 120.64 116.94 1yk4 n GLU 48 Ca 0.00 -2.90 -0.32 0.00 -0.42 0.00 0.00 57.16 53.52 1yk4 n GLU 48 Cb 0.09 -1.94 -0.08 0.00 -0.57 0.00 0.00 31.44 28.94 1yk4 n GLU 48 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1yk4 s PHE 49 N -2.14 3.14 -0.01 -0.32 0.40 -0.80 -0.74 117.98 117.51 1yk4 s PHE 49 Ca 0.49 0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.93 1yk4 s PHE 49 Cb 0.34 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 42.20 1yk4 s PHE 49 CO 0.20 0.49 -0.02 -1.83 0.70 0.00 0.00 175.22 174.76 1yk4 s GLU 50 N -1.78 0.26 0.48 0.44 -1.05 -0.66 -4.96 118.70 111.44 1yk4 s GLU 50 Ca 0.22 -0.06 -0.24 0.00 -0.15 0.00 0.00 54.97 54.75 1yk4 s GLU 50 Cb -0.12 -0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.20 1yk4 s GLU 50 CO 0.13 0.01 1.31 0.50 0.95 0.00 0.00 175.26 178.16 1yk4 s ARG 51 N 0.23 3.58 0.22 -4.83 3.52 -1.26 -0.76 118.95 119.64 1yk4 s ARG 51 Ca -0.02 2.14 0.05 0.00 -0.13 0.00 0.00 55.73 57.77 1yk4 s ARG 51 Cb -0.05 -2.48 -0.05 0.00 -1.56 0.00 0.00 34.95 30.81 1yk4 s ARG 51 CO -0.01 -0.81 -0.07 0.96 -0.81 0.00 0.00 175.30 174.57 1yk4 s ILE 52 N -1.33 1.38 -2.00 4.11 -4.36 -0.36 -4.81 121.20 113.82 1yk4 s ILE 52 Ca 0.64 -2.10 0.10 0.00 -0.26 0.00 0.00 60.65 59.03 1yk4 s ILE 52 Cb -0.38 -2.19 0.28 0.00 1.25 0.00 0.00 42.46 41.42 1yk4 s ILE 52 CO 0.46 -0.47 1.04 -0.62 0.24 0.00 0.00 174.94 175.59