#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyv s ALA 1 N 0.00 3.29 0.07 3.04 0.00 -1.26 -4.81 121.76 122.09 3kyv s ALA 1 Ca 0.00 -0.34 0.10 0.00 0.00 0.00 0.00 51.96 51.72 3kyv s ALA 1 Cb 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 3kyv s ALA 1 CO 0.00 -0.46 -0.26 0.15 0.00 0.00 0.00 175.76 175.19 3kyv s LYS 2 N -4.86 1.70 -0.01 0.00 3.01 -1.26 -1.31 119.74 117.00 3kyv s LYS 2 Ca 0.50 -1.18 0.04 0.00 -1.01 0.00 0.00 55.97 54.33 3kyv s LYS 2 Cb -0.11 -1.97 -0.01 0.00 -1.01 0.00 0.00 37.83 34.74 3kyv s LYS 2 CO 0.47 0.49 -0.13 -1.58 0.51 0.00 0.00 175.35 175.12 3kyv s TRP 3 N -0.89 1.19 -0.10 3.18 0.52 -0.01 -0.40 118.94 122.43 3kyv s TRP 3 Ca 0.13 -0.22 -0.04 0.00 0.02 0.00 0.00 56.10 55.98 3kyv s TRP 3 Cb -0.10 -0.77 -0.04 0.00 -1.15 0.00 0.00 33.47 31.42 3kyv s TRP 3 CO 0.03 -0.02 0.05 0.54 0.02 0.00 0.00 176.95 177.57 3kyv s VAL 4 N -0.31 4.72 -0.28 4.03 0.11 -0.13 -0.36 120.40 128.18 3kyv s VAL 4 Ca 0.05 -0.09 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 3kyv s VAL 4 Cb -0.05 -3.02 -0.01 0.00 -1.53 0.00 0.00 36.38 31.77 3kyv s VAL 4 CO -0.01 0.60 1.42 0.00 -3.33 0.00 0.00 175.10 173.78 3kyv h LYS 6 N 9.89 0.00 0.09 0.00 1.79 -1.32 -0.87 116.57 126.16 3kyv h LYS 6 Ca -0.29 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3kyv h LYS 6 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3kyv h LYS 6 CO 1.02 0.06 -0.04 0.82 -1.08 0.00 0.00 179.45 180.23 3kyv h ILE 7 N 0.00 0.84 0.00 1.86 1.08 -1.90 -3.41 117.51 115.97 3kyv h ILE 7 Ca -0.00 -1.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 3kyv h ILE 7 Cb 0.13 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 3kyv h ILE 7 CO 0.01 0.25 -0.56 0.00 -0.69 0.00 0.00 178.15 177.16 3kyv n GLY 9 N 1.53 0.87 3.67 0.00 0.00 -0.34 -5.04 105.19 105.88 3kyv n GLY 9 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3kyv n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kyv n TYR 10 N -2.00 1.94 -3.66 1.61 9.36 -1.26 -4.68 117.16 118.47 3kyv n TYR 10 Ca 0.00 0.58 -0.39 0.00 3.32 0.00 0.00 57.90 61.42 3kyv n TYR 10 Cb 0.00 -2.36 -0.12 0.00 -0.63 0.00 0.00 39.34 36.23 3kyv n TYR 10 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3kyv s ILE 11 N -1.11 4.53 -0.59 2.97 -1.09 -1.26 -0.39 121.20 124.25 3kyv s ILE 11 Ca 0.57 -0.49 -0.28 0.00 -2.23 0.00 0.00 60.65 58.22 3kyv s ILE 11 Cb -0.59 -3.33 0.03 0.00 -1.58 0.00 0.00 42.46 36.99 3kyv s ILE 11 CO 0.61 0.04 1.19 -0.47 -1.23 0.00 0.00 174.94 175.08 3kyv s TYR 12 N 1.60 2.59 -0.38 3.97 6.14 0.52 -4.92 117.35 126.86 3kyv s TYR 12 Ca 0.04 0.36 -0.15 0.00 0.64 0.00 0.00 57.07 57.95 3kyv s TYR 12 Cb -0.17 -4.51 0.00 0.00 0.42 0.00 0.00 41.96 37.71 3kyv s TYR 12 CO 0.06 -1.62 0.36 0.34 0.64 0.00 0.00 175.55 175.33 3kyv s ASP 13 N 3.02 6.15 0.45 4.32 -1.08 -1.26 -0.83 116.67 127.43 3kyv s ASP 13 Ca 0.42 -0.53 0.17 0.00 -0.52 0.00 0.00 52.55 52.09 3kyv s ASP 13 Cb -0.08 -2.19 1.11 0.00 -1.46 0.00 0.00 42.92 40.31 3kyv s ASP 13 CO 0.24 -0.42 1.94 -0.33 0.52 0.00 0.00 175.17 177.12 3kyv h GLU 14 N 8.58 0.33 0.00 4.34 5.08 -1.46 0.74 114.58 132.18 3kyv h GLU 14 Ca -0.28 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 3kyv h GLU 14 Cb 1.13 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3kyv h GLU 14 CO 0.72 0.22 -0.19 -0.44 -1.00 0.00 0.00 179.01 178.32 3kyv h ASP 15 N 0.34 0.00 0.50 1.42 3.32 -1.87 0.34 116.42 120.46 3kyv h ASP 15 Ca 0.33 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.13 3kyv h ASP 15 Cb 0.84 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 3kyv h ASP 15 CO -0.09 0.19 -1.69 0.00 -1.72 0.00 0.00 179.24 175.93 3kyv n ALA 16 N -2.48 1.64 -0.84 3.45 0.00 0.11 -3.89 120.51 118.49 3kyv n ALA 16 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3kyv n ALA 16 Cb 0.26 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3kyv n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kyv n GLY 17 N 1.52 0.78 2.57 0.00 0.00 -0.35 -3.88 105.19 105.83 3kyv n GLY 17 Ca -0.16 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 3kyv n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kyv n ASP 18 N -2.39 -1.79 0.05 1.61 2.03 -0.22 -4.67 116.55 111.18 3kyv n ASP 18 Ca 0.00 -3.19 0.02 0.00 0.52 0.00 0.00 54.79 52.14 3kyv n ASP 18 Cb 0.00 1.06 0.37 0.00 -0.72 0.00 0.00 41.12 41.83 3kyv n ASP 18 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3kyv h PRO 19 N 3.78 0.40 0.00 -0.67 0.13 -1.55 -1.00 132.00 133.10 3kyv h PRO 19 Ca -0.07 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3kyv h PRO 19 Cb 1.00 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 3kyv h PRO 19 CO 0.35 0.43 -0.00 -0.44 -0.23 0.00 0.00 178.00 178.10 3kyv h ASP 20 N 0.39 0.00 0.00 1.44 3.32 -1.96 -2.35 116.42 117.27 3kyv h ASP 20 Ca 0.09 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3kyv h ASP 20 Cb 0.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3kyv h ASP 20 CO 0.01 0.00 -0.33 0.59 -1.72 0.00 0.00 179.24 177.79 3kyv n ASN 21 N -3.13 1.92 0.00 6.45 4.13 -0.47 -4.98 115.26 119.18 3kyv n ASN 21 Ca -0.02 -3.58 0.00 0.00 1.68 0.00 0.00 54.58 52.66 3kyv n ASN 21 Cb 0.11 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 37.87 3kyv n ASN 21 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kyv n GLY 22 N -1.21 0.70 2.97 7.41 0.00 -0.88 -5.03 105.19 109.15 3kyv n GLY 22 Ca 0.18 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 3kyv n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kyv s ILE 23 N -2.00 1.58 0.55 -0.61 -1.09 -0.68 -4.98 121.20 113.97 3kyv s ILE 23 Ca 0.00 -1.08 -0.19 0.00 -2.23 0.00 0.00 60.65 57.15 3kyv s ILE 23 Cb 0.00 -1.73 -0.05 0.00 -1.58 0.00 0.00 42.46 39.09 3kyv s ILE 23 CO 0.00 0.06 1.10 -0.94 -1.23 0.00 0.00 174.94 173.93 3kyv s SER 24 N 1.40 5.76 0.27 3.58 1.04 -1.26 -1.05 113.70 123.44 3kyv s SER 24 Ca -0.03 2.07 -0.30 0.00 0.48 0.00 0.00 55.95 58.17 3kyv s SER 24 Cb -0.17 -2.57 -0.14 0.00 0.10 0.00 0.00 66.02 63.24 3kyv s SER 24 CO -0.07 -1.19 1.22 -2.65 0.98 0.00 0.00 173.24 171.53 3kyv n PRO 25 N -1.46 1.70 -0.22 4.02 -0.02 -1.25 -2.53 135.00 135.24 3kyv n PRO 25 Ca 0.11 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3kyv n PRO 25 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3kyv n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kyv n GLY 26 N 1.51 0.69 3.65 -1.23 0.00 0.12 -4.86 105.19 105.07 3kyv n GLY 26 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3kyv n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kyv s THR 27 N -2.32 4.70 0.54 2.61 2.01 -1.05 -4.93 115.64 117.20 3kyv s THR 27 Ca 0.00 1.91 -0.22 0.00 0.31 0.00 0.00 61.69 63.70 3kyv s THR 27 Cb 0.00 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 3kyv s THR 27 CO 0.00 -0.18 1.31 -0.54 -0.69 0.00 0.00 174.62 174.52 3kyv s LYS 28 N 3.16 3.22 0.25 4.92 1.02 -1.26 -4.63 119.74 126.42 3kyv s LYS 28 Ca 0.42 2.11 -0.03 0.00 0.02 0.00 0.00 55.97 58.50 3kyv s LYS 28 Cb -0.15 -2.24 0.48 0.00 -0.52 0.00 0.00 37.83 35.39 3kyv s LYS 28 CO 0.07 -1.09 1.77 0.35 -0.92 0.00 0.00 175.35 175.53 3kyv h PHE 29 N 1.49 0.75 -0.12 3.18 3.57 -1.94 -0.23 116.94 123.63 3kyv h PHE 29 Ca -0.51 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.06 3kyv h PHE 29 Cb 1.29 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 3kyv h PHE 29 CO 0.47 0.21 0.10 0.93 -2.23 0.00 0.00 178.31 177.79 3kyv h GLU 30 N 0.64 0.00 0.00 1.11 3.07 -2.02 -1.76 114.58 115.62 3kyv h GLU 30 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3kyv h GLU 30 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3kyv h GLU 30 CO -0.33 0.00 -0.28 0.39 -1.40 0.00 0.00 179.01 177.39 3kyv n GLU 31 N -4.23 0.05 -1.72 2.33 -0.58 -0.11 -4.86 120.64 111.51 3kyv n GLU 31 Ca -0.00 0.02 -0.40 0.00 -0.42 0.00 0.00 57.16 56.36 3kyv n GLU 31 Cb 0.21 -1.54 0.02 0.00 -0.57 0.00 0.00 31.44 29.56 3kyv n GLU 31 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3kyv n LEU 32 N -1.62 4.47 -4.52 -4.62 4.77 -0.66 -4.92 117.00 109.89 3kyv n LEU 32 Ca 0.06 1.09 -0.37 0.00 -0.03 0.00 0.00 56.01 56.76 3kyv n LEU 32 Cb 0.35 -1.53 0.06 0.00 -2.33 0.00 0.00 43.42 39.98 3kyv n LEU 32 CO 0.32 -0.55 0.25 -2.65 -1.33 0.00 0.00 177.39 173.42 3kyv n PRO 33 N -0.18 0.49 0.23 3.23 -0.02 -1.26 -4.84 135.00 132.65 3kyv n PRO 33 Ca 0.07 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3kyv n PRO 33 Cb 0.41 -1.94 0.68 0.00 -0.02 0.00 0.00 33.50 32.62 3kyv n PRO 33 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kyv h ASP 34 N -0.07 0.00 -0.67 2.55 3.32 -1.94 -0.61 116.42 119.00 3kyv h ASP 34 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3kyv h ASP 34 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3kyv h ASP 34 CO 0.46 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.08 3kyv n ASP 35 N -4.43 4.07 -4.77 6.45 5.75 -1.26 -4.70 116.55 117.66 3kyv n ASP 35 Ca -0.01 -2.13 -0.40 0.00 -0.01 0.00 0.00 54.79 52.24 3kyv n ASP 35 Cb 0.17 -0.49 0.02 0.00 -1.03 0.00 0.00 41.12 39.79 3kyv n ASP 35 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3kyv s TRP 36 N -1.25 2.47 0.20 2.11 -0.00 -0.24 -5.02 118.94 117.21 3kyv s TRP 36 Ca 0.47 1.26 0.05 0.00 -0.00 0.00 0.00 56.10 57.88 3kyv s TRP 36 Cb 0.26 -3.92 -0.05 0.00 -0.00 0.00 0.00 33.47 29.76 3kyv s TRP 36 CO 0.29 -2.94 -0.08 0.14 -0.00 0.00 0.00 176.95 174.37 3kyv s VAL 37 N -1.20 1.29 0.11 5.86 -7.23 -1.26 -3.88 120.40 114.09 3kyv s VAL 37 Ca 0.61 -2.09 -0.34 0.00 -1.81 0.00 0.00 61.98 58.34 3kyv s VAL 37 Cb -0.44 -2.10 -0.14 0.00 0.56 0.00 0.00 36.38 34.27 3kyv s VAL 37 CO 0.57 -0.54 1.61 0.00 -0.31 0.00 0.00 175.10 176.42 3kyv n PRO 39 N 3.90 0.19 -0.07 0.00 -0.04 -1.26 -1.20 135.00 136.52 3kyv n PRO 39 Ca 0.18 0.39 -0.06 0.00 -0.04 0.00 0.00 63.50 63.97 3kyv n PRO 39 Cb 0.28 -1.84 -0.02 0.00 -0.04 0.00 0.00 33.50 31.87 3kyv n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3kyv n ILE 40 N -2.19 1.43 0.54 0.52 2.08 -1.26 -4.75 119.36 115.73 3kyv n ILE 40 Ca 0.03 0.20 0.07 0.00 0.56 0.00 0.00 62.75 63.60 3kyv n ILE 40 Cb 0.25 -2.37 -0.09 0.00 -0.75 0.00 0.00 39.64 36.67 3kyv n ILE 40 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kyv n GLY 42 N 1.41 0.67 3.77 0.00 0.00 -0.34 -4.99 105.19 105.71 3kyv n GLY 42 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3kyv n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyv s ALA 43 N -2.31 3.44 1.00 4.61 0.00 -1.26 -4.48 121.76 122.76 3kyv s ALA 43 Ca 0.00 1.36 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 3kyv s ALA 43 Cb 0.00 -3.53 0.19 0.00 0.00 0.00 0.00 23.12 19.78 3kyv s ALA 43 CO 0.00 -0.85 1.11 -1.25 0.00 0.00 0.00 175.76 174.77 3kyv s PRO 44 N -2.05 0.43 0.50 0.00 0.04 -1.26 -0.48 135.00 132.18 3kyv s PRO 44 Ca 0.53 0.37 0.19 0.00 0.04 0.00 0.00 61.00 62.13 3kyv s PRO 44 Cb -0.42 -1.75 1.24 0.00 0.04 0.00 0.00 34.50 33.62 3kyv s PRO 44 CO 0.55 -2.70 2.03 0.87 0.04 0.00 0.00 177.00 177.79 3kyv h LYS 45 N -1.86 0.14 -0.19 4.56 1.57 -1.84 -0.52 116.57 118.42 3kyv h LYS 45 Ca -0.53 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.30 3kyv h LYS 45 Cb 1.33 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 3kyv h LYS 45 CO 0.57 0.09 0.26 0.66 -0.57 0.00 0.00 179.45 180.46 3kyv h SER 46 N 0.14 0.00 -0.26 0.86 4.64 -1.94 -2.29 113.55 114.69 3kyv h SER 46 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3kyv h SER 46 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3kyv h SER 46 CO -0.03 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.31 3kyv n GLU 47 N -3.59 1.79 -3.82 4.77 -0.58 -0.20 -4.87 120.64 114.13 3kyv n GLU 47 Ca 0.02 -1.21 -0.33 0.00 -0.42 0.00 0.00 57.16 55.22 3kyv n GLU 47 Cb 0.38 -1.34 -0.05 0.00 -0.57 0.00 0.00 31.44 29.86 3kyv n GLU 47 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kyv s PHE 48 N -1.65 3.55 -0.03 -0.32 0.40 -0.87 -0.84 117.98 118.22 3kyv s PHE 48 Ca 0.29 0.46 0.03 0.00 -0.60 0.00 0.00 56.93 57.10 3kyv s PHE 48 Cb 0.15 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.78 3kyv s PHE 48 CO 0.22 0.61 -0.12 -2.00 0.70 0.00 0.00 175.22 174.63 3kyv s GLU 49 N -1.98 1.26 0.18 0.44 2.12 -0.47 -4.94 118.70 115.32 3kyv s GLU 49 Ca 0.29 -0.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.92 3kyv s GLU 49 Cb -0.13 -1.14 -0.08 0.00 0.26 0.00 0.00 34.13 33.04 3kyv s GLU 49 CO 0.19 0.15 1.27 0.21 -0.54 0.00 0.00 175.26 176.53 3kyv s LYS 50 N 0.18 4.42 -1.18 4.30 2.20 -1.26 -0.96 119.74 127.44 3kyv s LYS 50 Ca -0.04 1.98 -0.14 0.00 -0.36 0.00 0.00 55.97 57.41 3kyv s LYS 50 Cb -0.10 -3.22 0.17 0.00 -1.51 0.00 0.00 37.83 33.17 3kyv s LYS 50 CO 0.01 -0.20 1.40 -0.51 -0.36 0.00 0.00 175.35 175.69 3kyv s LEU 51 N -0.07 5.09 0.10 5.43 1.43 0.47 -4.84 118.68 126.29 3kyv s LEU 51 Ca 0.56 -2.93 -0.25 0.00 -1.03 0.00 0.00 54.13 50.48 3kyv s LEU 51 Cb -0.35 -2.39 0.07 0.00 0.03 0.00 0.00 46.19 43.55 3kyv s LEU 51 CO 0.37 -0.76 0.61 -1.83 0.23 0.00 0.00 176.35 174.97 3kyv s GLU 52 N 1.59 1.21 0.00 1.70 -1.05 -1.26 -4.73 118.70 116.16 3kyv s GLU 52 Ca 0.41 -0.26 0.09 0.00 -0.15 0.00 0.00 54.97 55.06 3kyv s GLU 52 Cb -0.03 0.56 0.53 0.00 -0.44 0.00 0.00 34.13 34.75 3kyv s GLU 52 CO -0.01 -0.49 0.98 -3.47 0.95 0.00 0.00 175.26 173.22