#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 3.41 -0.10 3.14 1.43 -1.26 -3.95 118.68 121.35 1ayj s LEU 3 Ca 0.00 1.68 0.01 0.00 -1.03 0.00 0.00 54.13 54.79 1ayj s LEU 3 Cb 0.00 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.72 1ayj s LEU 3 CO 0.00 -1.09 -0.11 0.00 0.23 0.00 0.00 176.35 175.37 1ayj s GLU 5 N 1.15 3.44 -0.27 0.00 2.02 -1.26 -2.80 118.70 120.99 1ayj s GLU 5 Ca -0.05 -0.84 -0.20 0.00 0.02 0.00 0.00 54.97 53.90 1ayj s GLU 5 Cb -0.14 -5.02 -0.02 0.00 0.10 0.00 0.00 34.13 29.04 1ayj s GLU 5 CO -0.03 -2.23 0.60 0.50 0.02 0.00 0.00 175.26 174.13 1ayj s ARG 6 N 5.26 4.06 0.00 1.61 6.06 0.53 -4.85 118.95 131.62 1ayj s ARG 6 Ca 0.44 0.45 0.00 0.00 -2.50 0.00 0.00 55.73 54.11 1ayj s ARG 6 Cb -0.02 -3.67 0.00 0.00 0.06 0.00 0.00 34.95 31.32 1ayj s ARG 6 CO -0.03 -0.43 0.38 -0.35 -2.50 0.00 0.00 175.30 172.37 1ayj n PRO 7 N 5.70 0.00 -2.24 5.12 -0.04 -1.26 -0.59 135.00 141.68 1ayj n PRO 7 Ca -0.01 0.32 -0.33 0.00 -0.04 0.00 0.00 63.50 63.44 1ayj n PRO 7 Cb 0.49 -1.05 -0.04 0.00 -0.04 0.00 0.00 33.50 32.86 1ayj n PRO 7 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ayj s SER 8 N -2.15 5.66 -0.21 3.54 1.04 -1.26 -4.48 113.70 115.83 1ayj s SER 8 Ca 0.00 -1.69 -0.20 0.00 0.48 0.00 0.00 55.95 54.53 1ayj s SER 8 Cb 0.00 -2.58 -0.19 0.00 0.10 0.00 0.00 66.02 63.35 1ayj s SER 8 CO 0.00 -2.38 0.19 0.61 0.98 0.00 0.00 173.24 172.64 1ayj n GLY 9 N 5.97 -0.81 1.88 7.32 0.00 -1.26 -4.91 105.19 113.38 1ayj n GLY 9 Ca 0.44 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -4.37 0.16 -1.11 2.61 -2.24 -1.26 -4.99 114.28 103.07 1ayj n THR 10 Ca -0.33 0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.13 1ayj n THR 10 Cb 0.71 -0.64 -0.09 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.48 1.15 -1.99 4.78 -0.00 -1.26 -4.79 117.44 111.85 1ayj n TRP 11 Ca 0.00 -1.02 -0.40 0.00 -0.00 0.00 0.00 57.50 56.08 1ayj n TRP 11 Cb 0.00 -1.62 -0.00 0.00 -0.00 0.00 0.00 31.31 29.68 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 11.00 7.65 -1.99 5.87 7.64 -1.26 -4.53 113.62 138.00 1ayj n SER 12 Ca 0.47 -3.09 0.01 0.00 1.01 0.00 0.00 58.87 57.26 1ayj n SER 12 Cb 0.43 -1.39 0.01 0.00 -1.01 0.00 0.00 64.21 62.24 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 2.03 0.59 3.72 0.23 0.00 -1.26 -5.06 105.19 105.45 1ayj n GLY 13 Ca 0.60 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1ayj n GLY 13 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ayj n VAL 14 N -0.32 0.64 0.10 1.61 0.31 -1.26 -4.33 118.33 115.08 1ayj n VAL 14 Ca 0.01 -0.16 -0.05 0.00 -0.01 0.00 0.00 64.34 64.13 1ayj n VAL 14 Cb 0.21 -1.88 0.06 0.00 -0.91 0.00 0.00 33.84 31.31 1ayj n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ayj n GLY 16 N 0.63 0.89 3.64 0.00 0.00 -1.26 -4.54 105.19 104.54 1ayj n GLY 16 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.48 0.07 1.61 3.84 -1.26 -5.08 114.94 113.64 1ayj s ASN 17 Ca 0.00 0.92 -0.33 0.00 0.21 0.00 0.00 52.86 53.66 1ayj s ASN 17 Cb 0.00 0.95 -0.16 0.00 -0.55 0.00 0.00 41.25 41.49 1ayj s ASN 17 CO 0.00 -0.16 1.51 -1.13 -2.79 0.00 0.00 177.10 174.53 1ayj h ASN 18 N 4.38 -1.26 -0.55 -4.21 -0.73 -1.86 -0.67 115.58 110.70 1ayj h ASN 18 Ca -0.28 0.10 0.10 0.00 1.87 0.00 0.00 56.30 58.09 1ayj h ASN 18 Cb 1.18 0.41 -0.08 0.00 0.27 0.00 0.00 38.32 40.09 1ayj h ASN 18 CO 0.11 -0.62 0.08 -1.13 -0.37 0.00 0.00 177.43 175.50 1ayj h ASN 19 N -0.95 -0.06 0.41 1.15 -1.24 -1.96 0.11 115.58 113.04 1ayj h ASN 19 Ca -0.06 0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 1ayj h ASN 19 Cb 0.81 0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.03 1ayj h ASN 19 CO -0.03 -0.01 -0.21 0.00 -1.29 0.00 0.00 177.43 175.89 1ayj h ALA 20 N 1.45 -0.57 -0.14 1.57 0.00 -1.89 0.80 119.26 120.48 1ayj h ALA 20 Ca 0.28 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1ayj h ALA 20 Cb 0.41 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1ayj h ALA 20 CO -0.39 -0.82 -0.43 0.00 0.00 0.00 0.00 179.25 177.61 1ayj h LYS 22 N -0.50 -0.38 0.28 0.00 3.64 -0.76 0.12 116.57 118.97 1ayj h LYS 22 Ca 0.07 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1ayj h LYS 22 Cb 0.63 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1ayj h LYS 22 CO -0.41 -0.26 -0.27 -0.97 -2.27 0.00 0.00 179.45 175.28 1ayj h ASN 23 N -0.40 -0.74 -0.82 4.20 -0.73 -0.49 -1.62 115.58 114.98 1ayj h ASN 23 Ca 0.03 0.06 0.15 0.00 1.87 0.00 0.00 56.30 58.41 1ayj h ASN 23 Cb 0.49 0.24 -0.10 0.00 0.27 0.00 0.00 38.32 39.23 1ayj h ASN 23 CO -0.35 -0.36 0.39 -0.61 -0.37 0.00 0.00 177.43 176.13 1ayj h GLN 24 N -0.54 0.53 0.25 6.67 4.15 -0.75 0.32 115.11 125.74 1ayj h GLN 24 Ca -0.03 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1ayj h GLN 24 Cb 0.47 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1ayj h GLN 24 CO -0.03 0.35 -0.25 0.00 -1.93 0.00 0.00 178.83 176.98 1ayj h ILE 26 N -0.49 0.00 0.07 0.00 3.07 -0.52 0.17 117.51 119.81 1ayj h ILE 26 Ca -0.03 -0.45 -0.00 0.00 1.55 0.00 0.00 64.86 65.92 1ayj h ILE 26 Cb 0.43 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 1ayj h ILE 26 CO -0.03 0.00 -0.04 -1.13 -1.05 0.00 0.00 178.15 175.91 1ayj h ASN 27 N 0.00 -0.08 0.00 2.16 -0.73 -0.32 -3.40 115.58 113.20 1ayj h ASN 27 Ca 0.00 -0.40 0.00 0.00 1.87 0.00 0.00 56.30 57.77 1ayj h ASN 27 Cb 0.57 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.18 1ayj h ASN 27 CO 0.00 0.58 0.00 0.18 -0.37 0.00 0.00 177.43 177.82 1ayj n LEU 28 N -4.80 0.56 -4.92 0.34 4.32 0.01 -4.84 117.00 107.68 1ayj n LEU 28 Ca -0.06 0.57 -0.27 0.00 -0.02 0.00 0.00 56.01 56.23 1ayj n LEU 28 Cb 0.24 -0.31 0.03 0.00 -1.62 0.00 0.00 43.42 41.75 1ayj n LEU 28 CO 0.19 -0.31 0.52 -1.83 -1.22 0.00 0.00 177.39 174.73 1ayj s GLU 29 N -1.45 2.98 -0.04 3.23 1.03 0.59 -4.96 118.70 120.07 1ayj s GLU 29 Ca 0.00 -0.01 0.11 0.00 0.03 0.00 0.00 54.97 55.10 1ayj s GLU 29 Cb 0.00 -2.29 0.38 0.00 -0.80 0.00 0.00 34.13 31.42 1ayj s GLU 29 CO 0.00 -0.64 1.27 1.63 -1.33 0.00 0.00 175.26 176.19 1ayj n LYS 30 N -2.54 2.27 -1.11 -4.83 4.76 -1.26 -3.90 118.16 111.56 1ayj n LYS 30 Ca 0.04 -1.54 -0.37 0.00 -2.87 0.00 0.00 58.31 53.57 1ayj n LYS 30 Cb 0.57 -1.48 0.03 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 0.60 -4.42 -0.01 7.82 0.00 -1.26 -4.99 120.51 118.24 1ayj n ALA 31 Ca 0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.17 1ayj n ALA 31 Cb 0.46 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 2.05 0.08 -4.04 0.00 5.12 -0.43 -4.58 116.66 114.86 1ayj n ARG 32 Ca 0.02 0.26 -0.22 0.00 -1.93 0.00 0.00 57.85 55.98 1ayj n ARG 32 Cb 0.52 -0.88 -0.05 0.00 -1.16 0.00 0.00 32.46 30.90 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 -1.24 2.93 0.14 -1.55 -3.43 -1.24 -4.93 115.29 105.98 1ayj s HIS 33 Ca -0.03 -0.23 -0.17 0.00 -0.80 0.00 0.00 55.06 53.83 1ayj s HIS 33 Cb 0.00 -1.54 0.04 0.00 -1.43 0.00 0.00 32.58 29.66 1ayj s HIS 33 CO 0.04 0.40 0.46 0.20 -2.00 0.00 0.00 174.74 173.84 1ayj s GLY 34 N -3.87 -0.29 -0.28 -1.38 0.00 -1.26 -0.72 107.32 99.52 1ayj s GLY 34 Ca 0.36 0.00 -0.26 0.00 0.00 0.00 0.00 44.72 44.82 1ayj s GLY 34 CO 0.24 -0.23 1.24 -0.56 0.00 0.00 0.00 173.10 173.80 1ayj s SER 35 N -2.81 -0.23 0.18 1.64 0.01 0.15 -4.41 113.70 108.23 1ayj s SER 35 Ca 0.04 0.41 -0.28 0.00 1.31 0.00 0.00 55.95 57.44 1ayj s SER 35 Cb 0.01 0.40 -0.08 0.00 0.21 0.00 0.00 66.02 66.56 1ayj s SER 35 CO -0.10 -0.10 0.86 0.00 0.41 0.00 0.00 173.24 174.30 1ayj s ASN 37 N -0.96 2.78 -0.16 0.00 2.47 -0.20 -4.75 114.94 114.13 1ayj s ASN 37 Ca 0.39 -1.02 -0.11 0.00 0.42 0.00 0.00 52.86 52.54 1ayj s ASN 37 Cb -0.24 -0.17 -0.05 0.00 -1.45 0.00 0.00 41.25 39.34 1ayj s ASN 37 CO 0.29 -0.12 0.21 -0.47 -3.72 0.00 0.00 177.10 173.28 1ayj s TYR 38 N -2.85 3.48 0.07 0.43 5.04 -1.26 -0.94 117.35 121.32 1ayj s TYR 38 Ca 0.24 0.51 -0.16 0.00 -2.44 0.00 0.00 57.07 55.21 1ayj s TYR 38 Cb -0.02 -2.20 0.03 0.00 0.35 0.00 0.00 41.96 40.12 1ayj s TYR 38 CO 0.08 0.37 0.37 0.08 -1.34 0.00 0.00 175.55 175.11 1ayj s VAL 39 N 0.07 0.07 0.76 3.14 1.01 -1.26 -5.01 120.40 119.18 1ayj s VAL 39 Ca 0.13 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1ayj s VAL 39 Cb -0.12 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1ayj s VAL 39 CO 0.02 -0.33 0.81 2.22 0.00 0.00 0.00 175.10 177.83 1ayj n PHE 40 N 0.26 0.09 0.03 5.22 -1.74 -1.26 -3.44 117.46 116.63 1ayj n PHE 40 Ca -0.18 0.37 -0.19 0.00 -0.56 0.00 0.00 57.45 56.89 1ayj n PHE 40 Cb 0.61 -2.00 -0.12 0.00 1.52 0.00 0.00 39.48 39.48 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 -0.53 0.43 -5.36 3.97 0.13 -2.02 -3.49 132.00 125.13 1ayj h PRO 41 Ca -0.46 -0.54 -0.57 0.00 -0.87 0.00 0.00 66.00 63.56 1ayj h PRO 41 Cb 1.33 0.17 -0.13 0.00 0.13 0.00 0.00 31.00 32.50 1ayj h PRO 41 CO 0.44 1.20 -0.58 0.00 -0.23 0.00 0.00 178.00 178.83 1ayj s ALA 42 N -2.97 2.99 0.18 -0.56 0.00 -1.22 -5.11 121.76 115.07 1ayj s ALA 42 Ca -0.13 -1.80 -0.32 0.00 0.00 0.00 0.00 51.96 49.72 1ayj s ALA 42 Cb 0.03 0.39 -0.10 0.00 0.00 0.00 0.00 23.12 23.44 1ayj s ALA 42 CO 0.85 -0.20 1.60 -1.01 0.00 0.00 0.00 175.76 177.00 1ayj s HIS 43 N -3.01 3.03 -0.02 0.00 3.76 -1.26 -4.28 115.29 113.51 1ayj s HIS 43 Ca 0.30 0.58 0.03 0.00 -0.15 0.00 0.00 55.06 55.81 1ayj s HIS 43 Cb 0.07 -3.97 0.00 0.00 1.11 0.00 0.00 32.58 29.79 1ayj s HIS 43 CO 0.14 -3.59 -0.09 -1.59 -0.85 0.00 0.00 174.74 168.76 1ayj s LYS 44 N 1.10 0.95 0.00 1.40 -2.85 -0.12 -0.66 119.74 119.56 1ayj s LYS 44 Ca 0.71 -0.32 -0.30 0.00 -1.00 0.00 0.00 55.97 55.06 1ayj s LYS 44 Cb -0.45 -0.89 -0.04 0.00 -2.06 0.00 0.00 37.83 34.39 1ayj s LYS 44 CO 0.32 0.13 1.13 0.00 0.10 0.00 0.00 175.35 177.03 1ayj s ILE 46 N 1.45 2.94 0.01 0.00 -1.09 0.35 -4.36 121.20 120.49 1ayj s ILE 46 Ca 0.56 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 1ayj s ILE 46 Cb -0.25 -2.16 -0.01 0.00 -1.58 0.00 0.00 42.46 38.45 1ayj s ILE 46 CO 0.26 0.57 -0.10 0.00 -1.23 0.00 0.00 174.94 174.44 1ayj s TYR 48 N -0.47 3.12 0.04 0.00 1.51 0.10 -0.35 117.35 121.31 1ayj s TYR 48 Ca 0.02 -1.41 0.00 0.00 -1.01 0.00 0.00 57.07 54.67 1ayj s TYR 48 Cb -0.05 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 1ayj s TYR 48 CO 0.00 -0.69 -0.04 -0.59 -1.11 0.00 0.00 175.55 173.12 1ayj s PHE 49 N 1.37 0.49 -0.39 2.71 -0.71 -1.12 -1.32 117.98 119.02 1ayj s PHE 49 Ca 0.00 -0.74 -0.07 0.00 -1.04 0.00 0.00 56.93 55.08 1ayj s PHE 49 Cb -0.17 -0.33 -0.21 0.00 -1.21 0.00 0.00 43.02 41.09 1ayj s PHE 49 CO -0.02 -0.23 3.44 -0.35 -1.34 0.00 0.00 175.22 176.73 1ayj n PRO 50 N 0.90 2.42 0.00 1.99 -0.04 -1.26 -0.28 135.00 138.72 1ayj n PRO 50 Ca -0.19 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1ayj n PRO 50 Cb 0.58 -2.19 0.00 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