#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ayj s LEU 3 N 0.00 1.60 0.05 3.14 1.43 -1.26 -4.09 118.68 119.54 1ayj s LEU 3 Ca 0.00 1.16 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 1ayj s LEU 3 Cb 0.00 -3.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 1ayj s LEU 3 CO 0.00 -3.12 -0.12 0.00 0.23 0.00 0.00 176.35 173.33 1ayj s GLU 5 N -1.35 2.20 -0.21 0.00 -1.05 -1.26 -0.82 118.70 116.21 1ayj s GLU 5 Ca -0.02 -0.98 0.02 0.00 -0.15 0.00 0.00 54.97 53.84 1ayj s GLU 5 Cb -0.09 -2.34 0.04 0.00 -0.44 0.00 0.00 34.13 31.31 1ayj s GLU 5 CO 0.01 0.52 -0.16 0.50 0.95 0.00 0.00 175.26 177.08 1ayj s ARG 6 N -2.10 2.68 0.05 -4.83 6.06 0.50 -4.97 118.95 116.35 1ayj s ARG 6 Ca 0.21 -1.04 -0.01 0.00 -2.50 0.00 0.00 55.73 52.39 1ayj s ARG 6 Cb -0.11 -2.70 0.01 0.00 0.06 0.00 0.00 34.95 32.22 1ayj s ARG 6 CO 0.13 -0.35 0.04 -2.30 -2.50 0.00 0.00 175.30 170.31 1ayj n PRO 7 N 4.55 -1.64 -1.28 5.12 -0.02 -1.26 -0.91 135.00 139.55 1ayj n PRO 7 Ca -0.18 -0.06 -0.36 0.00 -2.02 0.00 0.00 63.50 60.87 1ayj n PRO 7 Cb 0.47 -0.07 0.06 0.00 -0.02 0.00 0.00 33.50 33.94 1ayj n PRO 7 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ayj n SER 8 N -3.09 -1.35 0.00 2.55 7.64 -0.49 -4.65 113.62 114.23 1ayj n SER 8 Ca 0.01 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1ayj n SER 8 Cb 0.02 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 1ayj n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ayj n GLY 9 N 1.73 1.29 0.09 0.23 0.00 -1.26 -4.89 105.19 102.38 1ayj n GLY 9 Ca 0.10 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1ayj n GLY 9 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ayj h THR 10 N 0.00 1.49 -3.95 2.61 2.02 -1.97 -3.44 112.91 109.67 1ayj h THR 10 Ca 0.00 -2.37 -0.47 0.00 0.77 0.00 0.00 66.41 64.33 1ayj h THR 10 Cb 0.00 3.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1ayj h THR 10 CO 0.00 0.60 0.39 0.86 0.37 0.00 0.00 175.52 177.74 1ayj s TRP 11 N -2.33 3.39 -1.27 3.16 -0.11 -1.26 -4.96 118.94 115.57 1ayj s TRP 11 Ca -0.19 1.68 -0.12 0.00 1.22 0.00 0.00 56.10 58.69 1ayj s TRP 11 Cb 0.00 -3.05 0.15 0.00 -1.50 0.00 0.00 33.47 29.08 1ayj s TRP 11 CO 0.72 -0.35 1.75 0.43 -4.62 0.00 0.00 176.95 174.87 1ayj n SER 12 N 0.07 5.04 0.00 5.86 7.64 -1.26 -4.69 113.62 126.27 1ayj n SER 12 Ca 0.04 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.89 1ayj n SER 12 Cb 0.50 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1ayj n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ayj n GLY 13 N 3.48 1.32 3.74 0.23 0.00 -1.26 -4.77 105.19 107.93 1ayj n GLY 13 Ca 0.40 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 46.21 1ayj n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ayj s VAL 14 N 0.00 3.91 -0.11 1.61 1.01 -1.26 -3.95 120.40 121.60 1ayj s VAL 14 Ca 0.00 1.65 -0.09 0.00 0.00 0.00 0.00 61.98 63.54 1ayj s VAL 14 Cb 0.00 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1ayj s VAL 14 CO 0.00 0.28 -0.21 0.00 0.00 0.00 0.00 175.10 175.18 1ayj n GLY 16 N 2.15 0.75 3.54 0.00 0.00 -1.26 -4.86 105.19 105.51 1ayj n GLY 16 Ca -0.20 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1ayj n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ayj s ASN 17 N 0.00 6.14 0.06 1.61 3.84 -1.26 -4.96 114.94 120.37 1ayj s ASN 17 Ca 0.00 -0.30 -0.31 0.00 0.21 0.00 0.00 52.86 52.47 1ayj s ASN 17 Cb 0.00 -2.18 -0.16 0.00 -0.55 0.00 0.00 41.25 38.36 1ayj s ASN 17 CO 0.00 -0.31 1.47 -1.13 -2.79 0.00 0.00 177.10 174.34 1ayj h ASN 18 N 8.47 -1.07 -0.79 -4.21 -0.73 -1.89 -1.97 115.58 113.41 1ayj h ASN 18 Ca -0.30 0.06 0.18 0.00 1.87 0.00 0.00 56.30 58.11 1ayj h ASN 18 Cb 1.15 0.32 -0.11 0.00 0.27 0.00 0.00 38.32 39.94 1ayj h ASN 18 CO 0.68 -0.62 0.25 -1.13 -0.37 0.00 0.00 177.43 176.23 1ayj h ASN 19 N -0.99 0.12 0.46 1.15 -0.00 -1.94 0.59 115.58 114.98 1ayj h ASN 19 Ca -0.08 0.15 -0.02 0.00 -0.00 0.00 0.00 56.30 56.34 1ayj h ASN 19 Cb 0.80 0.17 0.00 0.00 -0.00 0.00 0.00 38.32 39.30 1ayj h ASN 19 CO 0.07 -0.01 -0.22 0.00 -0.00 0.00 0.00 177.43 177.26 1ayj h ALA 20 N 1.64 -0.62 -0.17 1.57 0.00 -1.95 0.46 119.26 120.18 1ayj h ALA 20 Ca 0.46 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1ayj h ALA 20 Cb 0.80 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1ayj h ALA 20 CO -0.51 -0.77 -0.28 0.00 0.00 0.00 0.00 179.25 177.69 1ayj h LYS 22 N -0.33 -0.31 0.43 0.00 3.64 -0.88 0.40 116.57 119.51 1ayj h LYS 22 Ca 0.11 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1ayj h LYS 22 Cb 0.50 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1ayj h LYS 22 CO -0.36 -0.21 -0.42 -0.97 -2.27 0.00 0.00 179.45 175.23 1ayj h ASN 23 N -0.32 -1.14 -0.78 4.20 -1.24 -0.69 -1.71 115.58 113.89 1ayj h ASN 23 Ca 0.01 0.09 0.14 0.00 0.71 0.00 0.00 56.30 57.25 1ayj h ASN 23 Cb 0.36 0.37 -0.09 0.00 0.73 0.00 0.00 38.32 39.69 1ayj h ASN 23 CO -0.21 -0.55 0.34 -0.61 -1.29 0.00 0.00 177.43 175.11 1ayj h GLN 24 N -0.84 0.49 0.25 6.67 4.15 -0.72 0.35 115.11 125.47 1ayj h GLN 24 Ca -0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1ayj h GLN 24 Cb 0.72 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 1ayj h GLN 24 CO -0.05 0.32 -0.21 0.00 -1.93 0.00 0.00 178.83 176.97 1ayj h ILE 26 N -0.45 0.00 0.00 0.00 3.07 -0.43 0.14 117.51 119.84 1ayj h ILE 26 Ca -0.03 -0.29 -0.02 0.00 1.55 0.00 0.00 64.86 66.07 1ayj h ILE 26 Cb 0.38 1.07 -0.00 0.00 -0.27 0.00 0.00 36.82 38.00 1ayj h ILE 26 CO -0.00 0.00 -0.20 -1.13 -1.05 0.00 0.00 178.15 175.77 1ayj h ASN 27 N 0.00 0.00 0.28 2.16 -0.73 -0.29 -3.40 115.58 113.60 1ayj h ASN 27 Ca 0.00 -0.34 -0.01 0.00 1.87 0.00 0.00 56.30 57.82 1ayj h ASN 27 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1ayj h ASN 27 CO 0.00 0.78 -0.14 -0.07 -0.37 0.00 0.00 177.43 177.63 1ayj h LEU 28 N -1.00 -0.32 0.00 0.34 4.07 -0.75 -3.45 115.31 114.20 1ayj h LEU 28 Ca -0.03 0.01 -0.29 0.00 0.08 0.00 0.00 57.88 57.65 1ayj h LEU 28 Cb 0.49 0.08 0.07 0.00 1.08 0.00 0.00 40.66 42.38 1ayj h LEU 28 CO -0.02 -0.07 0.13 -1.84 -1.08 0.00 0.00 178.44 175.56 1ayj n GLU 29 N -3.91 -0.11 -0.13 1.13 0.28 0.48 -5.04 120.64 113.33 1ayj n GLU 29 Ca -0.05 -1.60 0.05 0.00 -0.16 0.00 0.00 57.16 55.40 1ayj n GLU 29 Cb 0.15 -0.54 0.11 0.00 1.43 0.00 0.00 31.44 32.59 1ayj n GLU 29 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ayj n LYS 30 N -2.34 2.67 -0.99 3.44 4.76 -1.26 -4.16 118.16 120.29 1ayj n LYS 30 Ca 0.10 -2.05 -0.36 0.00 -2.87 0.00 0.00 58.31 53.14 1ayj n LYS 30 Cb 0.37 -1.29 0.05 0.00 -1.84 0.00 0.00 35.03 32.32 1ayj n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ayj n ALA 31 N -0.34 -5.00 -0.05 7.82 0.00 -1.26 -5.00 120.51 116.68 1ayj n ALA 31 Ca 0.09 -0.65 -0.03 0.00 0.00 0.00 0.00 53.44 52.86 1ayj n ALA 31 Cb 0.46 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 1ayj n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ayj h ARG 32 N -1.02 0.00 -6.20 0.00 2.47 -1.25 -3.42 114.38 104.96 1ayj h ARG 32 Ca -0.44 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 57.78 1ayj h ARG 32 Cb 1.30 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.58 1ayj h ARG 32 CO 0.25 0.00 -0.50 -1.01 0.56 0.00 0.00 179.97 179.27 1ayj s HIS 33 N -1.88 3.08 0.04 3.04 3.76 -1.21 -4.96 115.29 117.17 1ayj s HIS 33 Ca -0.10 -0.15 -0.27 0.00 -0.15 0.00 0.00 55.06 54.39 1ayj s HIS 33 Cb 0.01 -1.50 0.08 0.00 1.11 0.00 0.00 32.58 32.28 1ayj s HIS 33 CO 0.14 0.44 0.69 0.20 -0.85 0.00 0.00 174.74 175.37 1ayj s GLY 34 N -3.88 -0.56 -0.29 -2.22 0.00 -1.26 -0.49 107.32 98.62 1ayj s GLY 34 Ca 0.35 0.95 -0.20 0.00 0.00 0.00 0.00 44.72 45.82 1ayj s GLY 34 CO 0.25 0.52 1.12 -0.56 0.00 0.00 0.00 173.10 174.44 1ayj s SER 35 N -2.06 -0.33 -0.10 1.64 0.01 0.43 -4.28 113.70 108.99 1ayj s SER 35 Ca -0.03 0.58 -0.30 0.00 1.31 0.00 0.00 55.95 57.52 1ayj s SER 35 Cb -0.01 0.88 -0.03 0.00 0.21 0.00 0.00 66.02 67.08 1ayj s SER 35 CO -0.04 -0.10 1.25 0.00 0.41 0.00 0.00 173.24 174.77 1ayj s ASN 37 N 1.77 5.56 -0.38 0.00 3.84 0.28 -4.67 114.94 121.34 1ayj s ASN 37 Ca 0.56 -0.14 0.07 0.00 0.21 0.00 0.00 52.86 53.56 1ayj s ASN 37 Cb -0.24 -1.46 0.44 0.00 -0.55 0.00 0.00 41.25 39.44 1ayj s ASN 37 CO 0.19 0.04 1.12 0.00 -2.79 0.00 0.00 177.10 175.66 1ayj n TYR 38 N -0.55 2.95 -2.14 0.43 9.36 -1.26 -0.69 117.16 125.26 1ayj n TYR 38 Ca -0.08 -2.80 -0.39 0.00 3.32 0.00 0.00 57.90 57.95 1ayj n TYR 38 Cb 0.55 -0.18 -0.01 0.00 -0.63 0.00 0.00 39.34 39.07 1ayj n TYR 38 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1ayj s VAL 39 N -5.00 2.82 0.96 2.97 1.01 -1.26 -4.94 120.40 116.96 1ayj s VAL 39 Ca 0.46 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 63.02 1ayj s VAL 39 Cb 0.40 -3.39 0.09 0.00 0.00 0.00 0.00 36.38 33.48 1ayj s VAL 39 CO -0.10 0.07 0.67 2.22 0.00 0.00 0.00 175.10 177.96 1ayj n PHE 40 N -0.04 -0.63 0.11 5.22 -1.74 -1.26 -4.13 117.46 114.98 1ayj n PHE 40 Ca 0.05 0.27 -0.24 0.00 -0.56 0.00 0.00 57.45 56.97 1ayj n PHE 40 Cb 0.45 -1.84 -0.15 0.00 1.52 0.00 0.00 39.48 39.46 1ayj n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 1ayj h PRO 41 N -1.77 0.46 -6.18 3.97 0.13 -2.02 -3.49 132.00 123.10 1ayj h PRO 41 Ca -0.45 -0.79 -0.55 0.00 -0.87 0.00 0.00 66.00 63.35 1ayj h PRO 41 Cb 1.28 0.29 -0.08 0.00 0.13 0.00 0.00 31.00 32.63 1ayj h PRO 41 CO 0.38 1.38 -0.60 0.00 -0.23 0.00 0.00 178.00 178.92 1ayj s ALA 42 N -2.57 3.31 0.64 -0.56 0.00 -1.26 -5.12 121.76 116.19 1ayj s ALA 42 Ca -0.12 -1.65 -0.18 0.00 0.00 0.00 0.00 51.96 50.01 1ayj s ALA 42 Cb 0.04 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 1ayj s ALA 42 CO 0.90 0.21 1.21 -1.01 0.00 0.00 0.00 175.76 177.08 1ayj s HIS 43 N -2.31 2.28 -0.02 0.00 3.76 -1.26 -4.62 115.29 113.12 1ayj s HIS 43 Ca 0.33 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.77 1ayj s HIS 43 Cb -0.06 -3.49 0.02 0.00 1.11 0.00 0.00 32.58 30.16 1ayj s HIS 43 CO 0.21 -2.37 0.02 0.15 -0.85 0.00 0.00 174.74 171.90 1ayj s LYS 44 N -3.51 0.03 -0.65 1.40 1.02 0.14 -3.76 119.74 114.40 1ayj s LYS 44 Ca 0.77 0.13 -0.25 0.00 0.02 0.00 0.00 55.97 56.64 1ayj s LYS 44 Cb -0.30 -0.24 0.04 0.00 -0.52 0.00 0.00 37.83 36.81 1ayj s LYS 44 CO 0.37 -0.13 1.10 0.00 -0.92 0.00 0.00 175.35 175.77 1ayj s ILE 46 N 4.71 5.10 0.06 0.00 -1.09 0.11 -1.39 121.20 128.70 1ayj s ILE 46 Ca 0.31 1.00 0.05 0.00 -2.23 0.00 0.00 60.65 59.78 1ayj s ILE 46 Cb -0.12 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 1ayj s ILE 46 CO 0.16 0.39 -0.13 0.00 -1.23 0.00 0.00 174.94 174.13 1ayj s TYR 48 N -1.14 1.98 0.06 0.00 1.51 0.36 -0.37 117.35 119.75 1ayj s TYR 48 Ca -0.02 -0.59 0.07 0.00 -1.01 0.00 0.00 57.07 55.51 1ayj s TYR 48 Cb -0.09 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1ayj s TYR 48 CO 0.02 -0.20 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.02 1ayj s PHE 49 N 0.00 1.57 -1.26 2.71 0.40 -0.00 -0.61 117.98 120.79 1ayj s PHE 49 Ca -0.05 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 55.71 1ayj s PHE 49 Cb -0.13 -0.91 0.01 0.00 0.51 0.00 0.00 43.02 42.51 1ayj s PHE 49 CO 0.03 0.10 1.89 -0.35 0.70 0.00 0.00 175.22 177.59 1ayj n PRO 50 N 1.61 2.65 0.00 0.24 -0.04 -1.26 -0.65 135.00 137.55 1ayj n PRO 50 Ca -0.18 -2.86 0.06 0.00 -0.04 0.00 0.00 63.50 60.48 1ayj n PRO 50 Cb 0.54 -3.46 0.38 0.00 -0.04 0.00 0.00 33.50 30.92 1ayj n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46