#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 1.74 -0.24 -5.58 1.43 -1.26 -3.92 118.68 110.84 1ayj s LEU 3 Ca 0.00 0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 53.62 1ayj s LEU 3 Cb 0.00 -2.53 0.08 0.00 0.03 0.00 0.00 46.19 43.77 1ayj s LEU 3 CO 0.00 -3.27 0.11 0.00 0.23 0.00 0.00 176.35 173.42 1ayj n GLU 5 N 5.24 1.86 -3.60 0.00 0.28 -1.26 -2.86 120.64 120.30 1ayj n GLU 5 Ca -0.06 -2.20 -0.37 0.00 -0.16 0.00 0.00 57.16 54.37 1ayj n GLU 5 Cb 0.45 -3.19 -0.08 0.00 1.43 0.00 0.00 31.44 30.05 1ayj n GLU 5 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1ayj s ARG 6 N 4.98 4.14 0.20 3.44 0.52 0.58 -4.73 118.95 128.08 1ayj s ARG 6 Ca 0.58 -0.11 -0.01 0.00 -0.52 0.00 0.00 55.73 55.66 1ayj s ARG 6 Cb 0.10 -3.50 0.13 0.00 0.52 0.00 0.00 34.95 32.20 1ayj s ARG 6 CO 0.09 0.11 1.50 -1.35 0.02 0.00 0.00 175.30 175.67 1ayj h PRO 7 N 7.22 0.46 -5.56 3.54 0.11 -1.83 -0.20 132.00 135.75 1ayj h PRO 7 Ca -0.39 -0.31 -0.34 0.00 0.11 0.00 0.00 66.00 65.07 1ayj h PRO 7 Cb 1.16 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1ayj h PRO 7 CO 0.70 0.92 1.03 -1.54 -0.21 0.00 0.00 178.00 178.91 1ayj s SER 8 N -6.93 5.15 0.00 -2.05 1.04 -1.26 -3.50 113.70 106.15 1ayj s SER 8 Ca -0.06 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.93 1ayj s SER 8 Cb 0.11 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1ayj s SER 8 CO 0.83 -2.90 0.00 0.61 0.98 0.00 0.00 173.24 172.76 1ayj n GLY 9 N 6.08 2.15 0.00 7.32 0.00 -1.26 -5.06 105.19 114.41 1ayj n GLY 9 Ca 0.44 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ayj n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ayj n THR 10 N 0.00 0.01 -1.48 2.61 -2.24 -1.26 -4.77 114.28 107.16 1ayj n THR 10 Ca 0.00 0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 61.88 1ayj n THR 10 Cb 0.00 -1.51 -0.02 0.00 -2.10 0.00 0.00 70.33 66.71 1ayj n THR 10 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1ayj n TRP 11 N -2.34 2.89 -1.94 4.78 -0.00 -1.26 -4.79 117.44 114.78 1ayj n TRP 11 Ca -0.00 -2.92 -0.40 0.00 -0.00 0.00 0.00 57.50 54.18 1ayj n TRP 11 Cb 0.00 -2.45 -0.01 0.00 -0.00 0.00 0.00 31.31 28.86 1ayj n TRP 11 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1ayj n SER 12 N 5.05 7.38 -1.14 5.87 7.64 -1.23 -4.37 113.62 132.83 1ayj n SER 12 Ca 0.63 -3.03 -0.00 0.00 1.01 0.00 0.00 58.87 57.47 1ayj n SER 12 Cb 0.31 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 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 2.35 1.33 3.74 0.23 0.00 -1.26 -5.01 105.19 106.56 1ayj n GLY 13 Ca 0.60 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.58 2.38 -0.12 1.61 1.01 -1.26 -3.34 120.40 118.11 1ayj s VAL 14 Ca 0.01 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.34 1ayj s VAL 14 Cb -0.00 -3.20 -0.24 0.00 0.00 0.00 0.00 36.38 32.94 1ayj s VAL 14 CO 0.00 0.04 0.37 0.00 0.00 0.00 0.00 175.10 175.52 1ayj n GLY 16 N 1.84 0.65 3.56 0.00 0.00 -1.26 -4.75 105.19 105.24 1ayj n GLY 16 Ca -0.28 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.79 0.09 1.61 3.84 -1.26 -5.08 114.94 113.35 1ayj s ASN 17 Ca 0.00 1.36 -0.30 0.00 0.21 0.00 0.00 52.86 54.13 1ayj s ASN 17 Cb 0.00 1.29 -0.15 0.00 -0.55 0.00 0.00 41.25 41.84 1ayj s ASN 17 CO 0.00 -0.23 1.64 -1.13 -2.79 0.00 0.00 177.10 174.59 1ayj h ASN 18 N 6.23 -0.74 -0.14 -4.21 -0.73 -1.87 -0.92 115.58 113.19 1ayj h ASN 18 Ca -0.30 0.05 0.04 0.00 1.87 0.00 0.00 56.30 57.96 1ayj h ASN 18 Cb 1.20 0.23 -0.05 0.00 0.27 0.00 0.00 38.32 39.97 1ayj h ASN 18 CO 0.15 -0.45 -0.14 -1.13 -0.37 0.00 0.00 177.43 175.48 1ayj h ASN 19 N -0.70 -0.45 -0.13 1.15 -1.24 -1.95 0.12 115.58 112.37 1ayj h ASN 19 Ca -0.04 0.09 0.04 0.00 0.71 0.00 0.00 56.30 57.09 1ayj h ASN 19 Cb 0.59 0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.82 1ayj h ASN 19 CO 0.03 -0.19 -0.11 0.00 -1.29 0.00 0.00 177.43 175.87 1ayj h ALA 20 N 0.91 -0.01 -0.23 1.57 0.00 -1.93 -0.15 119.26 119.42 1ayj h ALA 20 Ca 0.10 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1ayj h ALA 20 Cb 0.31 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1ayj h ALA 20 CO -0.25 -0.56 -0.30 0.00 0.00 0.00 0.00 179.25 178.15 1ayj h LYS 22 N -0.32 0.97 0.15 0.00 2.10 -0.42 0.12 116.57 119.17 1ayj h LYS 22 Ca 0.13 -0.19 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1ayj h LYS 22 Cb 0.52 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.70 1ayj h LYS 22 CO -0.41 0.84 -0.17 -0.97 -2.00 0.00 0.00 179.45 176.74 1ayj h ASN 23 N 0.90 -0.46 -0.86 7.07 -0.73 -0.67 -1.53 115.58 119.29 1ayj h ASN 23 Ca 0.21 0.04 0.12 0.00 1.87 0.00 0.00 56.30 58.53 1ayj h ASN 23 Cb 0.25 0.16 -0.08 0.00 0.27 0.00 0.00 38.32 38.92 1ayj h ASN 23 CO -0.01 -0.22 0.49 1.56 -0.37 0.00 0.00 177.43 178.88 1ayj h GLN 24 N -0.32 0.74 -0.02 6.67 4.20 -0.74 0.27 115.11 125.90 1ayj h GLN 24 Ca -0.02 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1ayj h GLN 24 Cb 0.28 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1ayj h GLN 24 CO -0.03 0.49 -0.11 0.00 -0.67 0.00 0.00 178.83 178.51 1ayj h ILE 26 N -0.12 0.00 0.03 0.00 3.07 -0.46 -1.58 117.51 118.45 1ayj h ILE 26 Ca 0.01 -0.49 -0.00 0.00 1.55 0.00 0.00 64.86 65.92 1ayj h ILE 26 Cb 0.14 1.46 0.00 0.00 -0.27 0.00 0.00 36.82 38.14 1ayj h ILE 26 CO -0.08 0.00 -0.01 -1.13 -1.05 0.00 0.00 178.15 175.87 1ayj h ASN 27 N 0.00 -0.03 0.22 2.16 -0.73 -0.44 -3.40 115.58 113.36 1ayj h ASN 27 Ca 0.00 -0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.09 1ayj h ASN 27 Cb 0.71 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.31 1ayj h ASN 27 CO 0.00 0.50 -0.11 -0.07 -0.37 0.00 0.00 177.43 177.38 1ayj h LEU 28 N -1.01 -0.26-10.63 0.34 4.07 -0.87 -3.45 115.31 103.50 1ayj h LEU 28 Ca -0.00 0.01 -0.45 0.00 0.08 0.00 0.00 57.88 57.51 1ayj h LEU 28 Cb 0.10 0.07 0.09 0.00 1.08 0.00 0.00 40.66 42.00 1ayj h LEU 28 CO 0.01 0.04 0.18 -1.83 -1.08 0.00 0.00 178.44 175.76 1ayj s GLU 29 N -2.56 1.90 -0.08 1.13 1.03 -0.60 -5.01 118.70 114.52 1ayj s GLU 29 Ca -0.04 -0.58 0.18 0.00 0.03 0.00 0.00 54.97 54.56 1ayj s GLU 29 Cb 0.00 -2.22 0.66 0.00 -0.80 0.00 0.00 34.13 31.78 1ayj s GLU 29 CO 0.13 -1.37 1.57 1.63 -1.33 0.00 0.00 175.26 175.89 1ayj n LYS 30 N -2.92 3.42 -1.03 -4.83 4.76 -1.26 -4.11 118.16 112.19 1ayj n LYS 30 Ca 0.11 -2.77 -0.36 0.00 -2.87 0.00 0.00 58.31 52.41 1ayj n LYS 30 Cb 0.60 -1.77 0.04 0.00 -1.84 0.00 0.00 35.03 32.06 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 1.09 -5.14 -0.00 7.82 0.00 -1.26 -4.97 120.51 118.04 1ayj n ALA 31 Ca 0.24 -0.61 -0.00 0.00 0.00 0.00 0.00 53.44 53.07 1ayj n ALA 31 Cb 0.80 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.89 0.00 -6.08 0.00 2.47 -1.31 -3.42 114.38 105.15 1ayj h ARG 32 Ca -0.44 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 57.76 1ayj h ARG 32 Cb 1.32 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.59 1ayj h ARG 32 CO 0.26 0.00 -0.37 -3.38 0.56 0.00 0.00 179.97 177.04 1ayj s HIS 33 N -1.03 2.38 0.20 3.04 -3.43 -1.24 -4.90 115.29 110.31 1ayj s HIS 33 Ca -0.00 -0.60 -0.12 0.00 -0.80 0.00 0.00 55.06 53.53 1ayj s HIS 33 Cb 0.00 -2.08 0.00 0.00 -1.43 0.00 0.00 32.58 29.08 1ayj s HIS 33 CO 0.00 -0.20 0.41 0.20 -2.00 0.00 0.00 174.74 173.16 1ayj s GLY 34 N -4.15 0.36 -0.25 -1.38 0.00 -1.26 -0.90 107.32 99.74 1ayj s GLY 34 Ca 0.44 -0.72 -0.28 0.00 0.00 0.00 0.00 44.72 44.16 1ayj s GLY 34 CO 0.26 -0.62 1.21 -0.56 0.00 0.00 0.00 173.10 173.39 1ayj s SER 35 N -2.96 -0.21 -0.06 1.64 0.01 0.15 -4.45 113.70 107.82 1ayj s SER 35 Ca 0.17 0.31 -0.12 0.00 1.31 0.00 0.00 55.95 57.61 1ayj s SER 35 Cb 0.01 0.27 -0.05 0.00 0.21 0.00 0.00 66.02 66.46 1ayj s SER 35 CO 0.03 -0.15 0.32 0.00 0.41 0.00 0.00 173.24 173.85 1ayj s ASN 37 N -0.84 1.50 -0.02 0.00 2.47 -0.88 -4.71 114.94 112.46 1ayj s ASN 37 Ca 0.20 -1.11 -0.30 0.00 0.42 0.00 0.00 52.86 52.08 1ayj s ASN 37 Cb -0.15 0.05 -0.06 0.00 -1.45 0.00 0.00 41.25 39.64 1ayj s ASN 37 CO 0.09 -0.47 1.67 -0.47 -3.72 0.00 0.00 177.10 174.20 1ayj s TYR 38 N -3.50 2.02 -0.10 0.43 6.14 -1.26 -0.77 117.35 120.30 1ayj s TYR 38 Ca 0.21 0.18 -0.04 0.00 0.64 0.00 0.00 57.07 58.06 1ayj s TYR 38 Cb 0.05 -3.94 0.05 0.00 0.42 0.00 0.00 41.96 38.54 1ayj s TYR 38 CO 0.03 -3.95 0.16 0.08 0.64 0.00 0.00 175.55 172.51 1ayj s VAL 39 N 3.77 -0.26 0.15 3.14 1.01 -0.04 -4.89 120.40 123.28 1ayj s VAL 39 Ca 0.74 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.71 1ayj s VAL 39 Cb -0.35 -0.36 -0.16 0.00 0.00 0.00 0.00 36.38 35.51 1ayj s VAL 39 CO 0.31 0.08 0.59 2.22 0.00 0.00 0.00 175.10 178.30 1ayj n PHE 40 N 5.32 -0.26 1.18 5.22 -1.74 -1.26 -2.91 117.46 123.01 1ayj n PHE 40 Ca -0.05 0.93 0.13 0.00 -0.56 0.00 0.00 57.45 57.90 1ayj n PHE 40 Cb 0.50 -1.86 0.43 0.00 1.52 0.00 0.00 39.48 40.06 1ayj n PHE 40 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1ayj n PRO 41 N 1.03 0.43 -0.82 3.97 -0.04 -1.26 -5.04 135.00 133.28 1ayj n PRO 41 Ca 0.17 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1ayj n PRO 41 Cb 0.20 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1ayj n PRO 41 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ayj n ALA 42 N -1.10 0.00 -2.15 0.55 0.00 -1.15 -5.10 120.51 111.56 1ayj n ALA 42 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 1ayj n ALA 42 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 1ayj n ALA 42 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1ayj s HIS 43 N -3.36 2.17 -0.05 0.00 3.76 -1.26 -0.86 115.29 115.70 1ayj s HIS 43 Ca 0.00 0.59 0.06 0.00 -0.15 0.00 0.00 55.06 55.56 1ayj s HIS 43 Cb 0.00 -3.98 -0.01 0.00 1.11 0.00 0.00 32.58 29.70 1ayj s HIS 43 CO 0.00 -2.77 -0.24 0.21 -0.85 0.00 0.00 174.74 171.08 1ayj s LYS 44 N 4.63 2.37 0.08 1.40 2.20 0.05 -0.59 119.74 129.88 1ayj s LYS 44 Ca 0.70 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 1ayj s LYS 44 Cb -0.24 -2.05 -0.06 0.00 -1.51 0.00 0.00 37.83 33.97 1ayj s LYS 44 CO 0.29 0.40 1.19 0.00 -0.36 0.00 0.00 175.35 176.86 1ayj s ILE 46 N 0.88 2.58 -0.07 0.00 -1.09 0.60 -4.27 121.20 119.83 1ayj s ILE 46 Ca 0.58 -0.86 0.03 0.00 -2.23 0.00 0.00 60.65 58.17 1ayj s ILE 46 Cb -0.30 -2.01 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 1ayj s ILE 46 CO 0.30 0.56 -0.18 0.00 -1.23 0.00 0.00 174.94 174.39 1ayj s TYR 48 N 0.38 3.54 0.12 0.00 1.51 -0.07 -0.30 117.35 122.52 1ayj s TYR 48 Ca -0.13 -2.27 0.10 0.00 -1.01 0.00 0.00 57.07 53.75 1ayj s TYR 48 Cb -0.16 -3.27 -0.04 0.00 -0.11 0.00 0.00 41.96 38.38 1ayj s TYR 48 CO 0.05 -0.97 -0.24 -0.59 -1.11 0.00 0.00 175.55 172.68 1ayj s PHE 49 N 1.20 2.08 -1.04 2.71 -0.71 -1.13 -0.71 117.98 120.38 1ayj s PHE 49 Ca 0.07 -0.40 -0.17 0.00 -1.04 0.00 0.00 56.93 55.39 1ayj s PHE 49 Cb -0.24 -1.13 -0.08 0.00 -1.21 0.00 0.00 43.02 40.36 1ayj s PHE 49 CO -0.03 0.28 2.09 -0.35 -1.34 0.00 0.00 175.22 175.86 1ayj n PRO 50 N 1.01 2.08 0.00 1.99 -0.04 -1.26 0.11 135.00 138.88 1ayj n PRO 50 Ca -0.19 -2.06 0.15 0.00 -0.04 0.00 0.00 63.50 61.37 1ayj n PRO 50 Cb 0.53 -2.98 0.84 0.00 -0.04 0.00 0.00 33.50 31.85 1ayj n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46