#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ayj n LEU 3 N 0.00 3.09 -4.60 -5.58 4.32 -1.26 -4.61 117.00 108.37 1ayj n LEU 3 Ca 0.00 0.90 -0.43 0.00 -0.02 0.00 0.00 56.01 56.46 1ayj n LEU 3 Cb 0.00 -1.37 -0.04 0.00 -1.62 0.00 0.00 43.42 40.40 1ayj n LEU 3 CO 0.00 -1.74 0.79 0.00 -1.22 0.00 0.00 177.39 175.23 1ayj n GLU 5 N 6.98 2.90 -2.32 0.00 4.71 -1.26 -1.10 120.64 130.55 1ayj n GLU 5 Ca 0.08 -2.66 -0.42 0.00 -0.01 0.00 0.00 57.16 54.14 1ayj n GLU 5 Cb 0.48 -3.28 -0.03 0.00 -1.01 0.00 0.00 31.44 27.61 1ayj n GLU 5 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1ayj s ARG 6 N 3.10 4.29 0.00 3.49 3.00 0.10 -4.69 118.95 128.24 1ayj s ARG 6 Ca 0.47 1.82 0.00 0.00 -1.00 0.00 0.00 55.73 57.02 1ayj s ARG 6 Cb 0.14 -3.64 0.00 0.00 0.00 0.00 0.00 34.95 31.44 1ayj s ARG 6 CO -0.08 -0.58 0.00 -0.35 0.00 0.00 0.00 175.30 174.29 1ayj n PRO 7 N 5.71 0.87 -1.56 5.12 -0.04 -1.26 -0.52 135.00 143.33 1ayj n PRO 7 Ca 0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 1ayj n PRO 7 Cb 0.45 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 1ayj n PRO 7 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ayj n SER 8 N -0.30 1.41 -0.43 3.54 7.64 -1.15 -4.53 113.62 119.81 1ayj n SER 8 Ca 0.00 -2.14 0.07 0.00 1.01 0.00 0.00 58.87 57.81 1ayj n SER 8 Cb 0.00 -1.69 0.14 0.00 -1.01 0.00 0.00 64.21 61.65 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 6.33 4.13 2.17 0.23 0.00 -1.26 -4.63 105.19 112.15 1ayj n GLY 9 Ca 0.43 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1ayj n GLY 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ayj n THR 10 N -0.99 0.00 -2.02 2.61 -1.04 -1.26 -5.07 114.28 106.51 1ayj n THR 10 Ca 0.14 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.77 1ayj n THR 10 Cb 0.71 -0.09 0.01 0.00 -1.82 0.00 0.00 70.33 69.14 1ayj n THR 10 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1ayj s TRP 11 N -2.00 2.64 -0.31 -1.42 -0.11 -1.26 -4.99 118.94 111.49 1ayj s TRP 11 Ca 0.00 1.43 -0.14 0.00 1.22 0.00 0.00 56.10 58.62 1ayj s TRP 11 Cb 0.00 -3.63 -0.03 0.00 -1.50 0.00 0.00 33.47 28.31 1ayj s TRP 11 CO 0.00 -2.20 0.30 -1.12 -4.62 0.00 0.00 176.95 169.30 1ayj s SER 12 N -1.01 6.13 1.00 5.86 0.01 -1.26 -4.58 113.70 119.84 1ayj s SER 12 Ca 0.64 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1ayj s SER 12 Cb -0.36 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1ayj s SER 12 CO 0.44 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1ayj n GLY 13 N 4.95 2.16 3.76 3.44 0.00 -1.26 -4.81 105.19 113.44 1ayj n GLY 13 Ca -0.11 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 2.76 0.17 1.61 1.01 -1.26 -4.42 120.40 120.28 1ayj s VAL 14 Ca 0.00 0.73 -0.00 0.00 0.00 0.00 0.00 61.98 62.71 1ayj s VAL 14 Cb 0.00 -3.46 -0.12 0.00 0.00 0.00 0.00 36.38 32.80 1ayj s VAL 14 CO 0.00 0.16 1.42 0.00 0.00 0.00 0.00 175.10 176.68 1ayj n GLY 16 N 0.64 1.03 3.51 0.00 0.00 -1.26 -4.61 105.19 104.50 1ayj n GLY 16 Ca -0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.74 0.09 1.61 3.84 -1.26 -5.08 114.94 113.40 1ayj s ASN 17 Ca 0.00 1.27 -0.21 0.00 0.21 0.00 0.00 52.86 54.13 1ayj s ASN 17 Cb 0.00 1.19 -0.07 0.00 -0.55 0.00 0.00 41.25 41.83 1ayj s ASN 17 CO 0.00 -0.22 1.36 -1.13 -2.79 0.00 0.00 177.10 174.32 1ayj h ASN 18 N 6.38 -1.26 -0.50 -4.21 -0.73 -1.86 -0.84 115.58 112.56 1ayj h ASN 18 Ca -0.31 0.17 -0.02 0.00 1.87 0.00 0.00 56.30 58.01 1ayj h ASN 18 Cb 1.20 0.52 -0.02 0.00 0.27 0.00 0.00 38.32 40.29 1ayj h ASN 18 CO 0.18 -0.24 0.24 -1.13 -0.37 0.00 0.00 177.43 176.11 1ayj h ASN 19 N -0.21 0.66 0.26 1.15 -1.24 -1.93 0.14 115.58 114.41 1ayj h ASN 19 Ca 0.06 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 1ayj h ASN 19 Cb 0.36 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 1ayj h ASN 19 CO -0.43 0.60 -0.19 0.00 -1.29 0.00 0.00 177.43 176.11 1ayj h ALA 20 N 1.08 -0.44 -0.20 1.57 0.00 -1.90 0.21 119.26 119.58 1ayj h ALA 20 Ca 0.17 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ayj h ALA 20 Cb 0.12 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1ayj h ALA 20 CO -0.02 -0.76 -0.13 0.00 0.00 0.00 0.00 179.25 178.34 1ayj h LYS 22 N -0.12 -0.40 0.09 0.00 3.64 -0.57 0.16 116.57 119.38 1ayj h LYS 22 Ca 0.12 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1ayj h LYS 22 Cb 0.29 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1ayj h LYS 22 CO -0.28 -0.26 -0.28 -0.97 -2.27 0.00 0.00 179.45 175.39 1ayj h ASN 23 N -0.41 -0.82 -0.92 4.20 -1.24 -0.70 -1.52 115.58 114.17 1ayj h ASN 23 Ca 0.03 0.08 0.13 0.00 0.71 0.00 0.00 56.30 57.25 1ayj h ASN 23 Cb 0.49 0.30 -0.09 0.00 0.73 0.00 0.00 38.32 39.75 1ayj h ASN 23 CO -0.33 -0.30 0.54 1.56 -1.29 0.00 0.00 177.43 177.61 1ayj h GLN 24 N -0.41 0.79 0.15 6.67 4.20 -0.81 0.25 115.11 125.94 1ayj h GLN 24 Ca -0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1ayj h GLN 24 Cb 0.41 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1ayj h GLN 24 CO -0.13 0.53 -0.13 0.00 -0.67 0.00 0.00 178.83 178.42 1ayj h ILE 26 N -0.27 0.00 0.00 0.00 3.07 -0.53 0.99 117.51 120.78 1ayj h ILE 26 Ca -0.02 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.10 1ayj h ILE 26 Cb 0.23 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 1ayj h ILE 26 CO -0.00 0.00 -0.02 -1.13 -1.05 0.00 0.00 178.15 175.94 1ayj h ASN 27 N 0.00 0.00 0.28 2.16 -0.73 -0.51 -3.40 115.58 113.38 1ayj h ASN 27 Ca 0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1ayj h ASN 27 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1ayj h ASN 27 CO 0.00 0.33 -0.14 -0.07 -0.37 0.00 0.00 177.43 177.18 1ayj h LEU 28 N -0.63 -0.32-10.62 0.34 4.07 -0.78 -3.44 115.31 103.93 1ayj h LEU 28 Ca 0.00 -0.19 -0.45 0.00 0.08 0.00 0.00 57.88 57.32 1ayj h LEU 28 Cb 0.02 0.08 0.08 0.00 1.08 0.00 0.00 40.66 41.93 1ayj h LEU 28 CO 0.00 0.16 0.13 -1.83 -1.08 0.00 0.00 178.44 175.82 1ayj s GLU 29 N -3.62 1.97 -0.07 1.13 -1.05 0.33 -5.03 118.70 112.37 1ayj s GLU 29 Ca -0.11 -0.70 0.14 0.00 -0.15 0.00 0.00 54.97 54.14 1ayj s GLU 29 Cb 0.01 -2.28 0.45 0.00 -0.44 0.00 0.00 34.13 31.86 1ayj s GLU 29 CO 0.41 -1.27 1.37 1.63 0.95 0.00 0.00 175.26 178.34 1ayj n LYS 30 N -2.81 3.01 -0.96 -4.83 4.76 -1.26 -4.06 118.16 112.01 1ayj n LYS 30 Ca 0.11 -2.43 -0.36 0.00 -2.87 0.00 0.00 58.31 52.77 1ayj n LYS 30 Cb 0.60 -1.54 0.06 0.00 -1.84 0.00 0.00 35.03 32.31 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 0.36 -5.06 -0.66 7.82 0.00 -1.26 -5.01 120.51 116.70 1ayj n ALA 31 Ca 0.17 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1ayj n ALA 31 Cb 0.64 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1ayj n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ayj n ARG 32 N 1.71 0.00 -4.12 0.00 5.12 -1.25 -4.63 116.66 113.49 1ayj n ARG 32 Ca -0.01 0.15 -0.27 0.00 -1.93 0.00 0.00 57.85 55.80 1ayj n ARG 32 Cb 0.58 -0.60 -0.06 0.00 -1.16 0.00 0.00 32.46 31.22 1ayj n ARG 32 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1ayj s HIS 33 N -0.34 3.04 0.08 -1.55 -3.43 -1.26 -4.88 115.29 106.96 1ayj s HIS 33 Ca 0.00 -0.05 0.02 0.00 -0.80 0.00 0.00 55.06 54.23 1ayj s HIS 33 Cb 0.00 -1.47 -0.03 0.00 -1.43 0.00 0.00 32.58 29.65 1ayj s HIS 33 CO 0.00 0.52 -0.08 0.20 -2.00 0.00 0.00 174.74 173.38 1ayj s GLY 34 N -3.02 0.70 -0.30 -1.38 0.00 -1.26 -1.28 107.32 100.78 1ayj s GLY 34 Ca 0.30 -1.12 -0.15 0.00 0.00 0.00 0.00 44.72 43.74 1ayj s GLY 34 CO 0.22 -1.20 1.15 -0.45 0.00 0.00 0.00 173.10 172.81 1ayj s SER 35 N -2.43 -0.14 0.41 1.64 0.15 -0.32 -4.45 113.70 108.57 1ayj s SER 35 Ca 0.03 0.02 -0.24 0.00 0.70 0.00 0.00 55.95 56.46 1ayj s SER 35 Cb -0.02 1.09 -0.09 0.00 -1.71 0.00 0.00 66.02 65.30 1ayj s SER 35 CO -0.02 -0.03 1.09 0.00 1.20 0.00 0.00 173.24 175.49 1ayj s ASN 37 N -1.45 2.50 -1.11 0.00 2.47 -1.26 -4.48 114.94 111.61 1ayj s ASN 37 Ca 0.59 -1.28 -0.16 0.00 0.42 0.00 0.00 52.86 52.43 1ayj s ASN 37 Cb -0.25 -0.12 -0.07 0.00 -1.45 0.00 0.00 41.25 39.37 1ayj s ASN 37 CO 0.31 -0.48 2.14 0.00 -3.72 0.00 0.00 177.10 175.35 1ayj n TYR 38 N -0.61 2.50 -2.30 0.43 9.36 -1.26 -4.07 117.16 121.20 1ayj n TYR 38 Ca -0.04 -2.37 -0.40 0.00 3.32 0.00 0.00 57.90 58.41 1ayj n TYR 38 Cb 0.65 -2.09 -0.03 0.00 -0.63 0.00 0.00 39.34 37.24 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 3.93 3.54 0.51 2.97 1.01 -1.26 -4.98 120.40 126.13 1ayj s VAL 39 Ca 0.53 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 1ayj s VAL 39 Cb 0.14 -4.44 -0.14 0.00 0.00 0.00 0.00 36.38 31.94 1ayj s VAL 39 CO 0.01 -1.39 -0.03 0.33 0.00 0.00 0.00 175.10 174.02 1ayj n PHE 40 N 11.04 -2.56 0.07 5.22 -0.00 -1.26 -3.96 117.46 126.01 1ayj n PHE 40 Ca 0.12 0.45 -0.18 0.00 -0.00 0.00 0.00 57.45 57.84 1ayj n PHE 40 Cb 0.51 -1.73 -0.14 0.00 -0.00 0.00 0.00 39.48 38.11 1ayj n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1ayj h PRO 41 N 0.03 0.28 -6.32 -7.13 0.13 -2.02 -3.48 132.00 113.49 1ayj h PRO 41 Ca -0.42 -0.48 -0.66 0.00 -0.87 0.00 0.00 66.00 63.57 1ayj h PRO 41 Cb 1.44 0.18 -0.14 0.00 0.13 0.00 0.00 31.00 32.61 1ayj h PRO 41 CO 0.43 1.16 -0.68 0.00 -0.23 0.00 0.00 178.00 178.68 1ayj s ALA 42 N -2.61 3.19 0.31 -0.56 0.00 -1.25 -5.09 121.76 115.74 1ayj s ALA 42 Ca -0.10 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.49 1ayj s ALA 42 Cb 0.06 -1.17 -0.11 0.00 0.00 0.00 0.00 23.12 21.90 1ayj s ALA 42 CO 0.86 0.66 1.46 -1.01 0.00 0.00 0.00 175.76 177.73 1ayj s HIS 43 N -1.19 2.84 -0.02 0.00 3.76 -1.26 -4.65 115.29 114.77 1ayj s HIS 43 Ca 0.22 1.09 0.08 0.00 -0.15 0.00 0.00 55.06 56.30 1ayj s HIS 43 Cb -0.11 -3.91 -0.02 0.00 1.11 0.00 0.00 32.58 29.65 1ayj s HIS 43 CO 0.14 -2.81 -0.25 0.15 -0.85 0.00 0.00 174.74 171.11 1ayj s LYS 44 N -1.19 2.11 -1.15 1.40 1.02 -1.26 -0.85 119.74 119.81 1ayj s LYS 44 Ca 0.56 -0.93 -0.22 0.00 0.02 0.00 0.00 55.97 55.40 1ayj s LYS 44 Cb -0.44 -2.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1ayj s LYS 44 CO 0.52 0.56 1.82 0.00 -0.92 0.00 0.00 175.35 177.33 1ayj s ILE 46 N 8.13 4.54 -0.00 0.00 -1.09 -1.26 -2.93 121.20 128.59 1ayj s ILE 46 Ca 0.62 1.85 0.07 0.00 -2.23 0.00 0.00 60.65 60.95 1ayj s ILE 46 Cb -0.00 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.67 1ayj s ILE 46 CO 0.06 -0.12 -0.20 0.00 -1.23 0.00 0.00 174.94 173.45 1ayj s TYR 48 N -0.56 3.35 0.06 0.00 1.51 -0.40 0.01 117.35 121.32 1ayj s TYR 48 Ca 0.08 -1.56 -0.10 0.00 -1.01 0.00 0.00 57.07 54.48 1ayj s TYR 48 Cb -0.08 -3.11 -0.06 0.00 -0.11 0.00 0.00 41.96 38.60 1ayj s TYR 48 CO -0.00 -0.88 0.38 -0.06 -1.11 0.00 0.00 175.55 173.88 1ayj s PHE 49 N 1.43 3.60 0.21 2.71 0.08 -0.26 -3.75 117.98 121.99 1ayj s PHE 49 Ca 0.04 0.78 -0.31 0.00 0.12 0.00 0.00 56.93 57.55 1ayj s PHE 49 Cb -0.24 -2.15 -0.11 0.00 -0.57 0.00 0.00 43.02 39.96 1ayj s PHE 49 CO 0.02 0.54 1.57 -1.25 -0.10 0.00 0.00 175.22 176.00 1ayj s PRO 50 N -1.81 4.20 0.00 0.24 0.04 -1.26 -0.15 135.00 136.26 1ayj s PRO 50 Ca 0.31 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.77 1ayj s PRO 50 Cb -0.14 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1ayj s PRO 50 CO 0.17 -0.60 0.00 0.00 0.04 0.00 0.00 177.00 176.61