#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 2.42 0.02 3.14 1.43 -1.26 -3.93 118.68 120.51 1ayj s LEU 3 Ca 0.00 1.33 0.06 0.00 -1.03 0.00 0.00 54.13 54.50 1ayj s LEU 3 Cb 0.00 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1ayj s LEU 3 CO 0.00 -2.25 -0.19 0.00 0.23 0.00 0.00 176.35 174.14 1ayj s GLU 5 N -0.89 3.48 -0.29 0.00 2.02 -1.26 -0.83 118.70 120.93 1ayj s GLU 5 Ca 0.06 -0.02 -0.12 0.00 0.02 0.00 0.00 54.97 54.91 1ayj s GLU 5 Cb -0.08 -3.91 -0.04 0.00 0.10 0.00 0.00 34.13 30.20 1ayj s GLU 5 CO 0.01 -1.06 0.24 0.50 0.02 0.00 0.00 175.26 174.96 1ayj s ARG 6 N 3.25 3.89 0.00 1.61 6.06 0.62 -4.93 118.95 129.46 1ayj s ARG 6 Ca 0.30 -0.30 0.00 0.00 -2.50 0.00 0.00 55.73 53.24 1ayj s ARG 6 Cb -0.12 -3.68 0.00 0.00 0.06 0.00 0.00 34.95 31.20 1ayj s ARG 6 CO 0.22 -0.25 0.22 -2.30 -2.50 0.00 0.00 175.30 170.69 1ayj n PRO 7 N 5.13 0.00 -2.66 5.12 -0.02 -1.26 -0.86 135.00 140.45 1ayj n PRO 7 Ca -0.13 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 1ayj n PRO 7 Cb 0.51 -0.84 -0.01 0.00 -0.02 0.00 0.00 33.50 33.15 1ayj n PRO 7 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ayj s SER 8 N -1.78 6.82 0.00 2.55 1.04 -1.26 -4.61 113.70 116.45 1ayj s SER 8 Ca 0.00 -2.38 0.00 0.00 0.48 0.00 0.00 55.95 54.05 1ayj s SER 8 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1ayj s SER 8 CO 0.00 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1ayj n GLY 9 N 5.41 0.35 0.00 7.32 0.00 -1.26 -4.90 105.19 112.10 1ayj n GLY 9 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 -1.39 2.61 -2.24 -1.26 -4.68 114.28 107.31 1ayj n THR 10 Ca 0.00 0.43 -0.36 0.00 -2.27 0.00 0.00 64.05 61.85 1ayj n THR 10 Cb 0.00 -1.33 -0.07 0.00 -2.10 0.00 0.00 70.33 66.82 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 -1.94 1.82 -2.08 4.78 -0.00 -1.26 -4.81 117.44 113.95 1ayj n TRP 11 Ca 0.00 -1.38 -0.41 0.00 -0.00 0.00 0.00 57.50 55.71 1ayj n TRP 11 Cb 0.00 -1.94 -0.00 0.00 -0.00 0.00 0.00 31.31 29.36 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 10.94 6.79 -2.06 5.87 7.64 -1.26 -4.55 113.62 136.99 1ayj n SER 12 Ca 0.47 -3.09 0.02 0.00 1.01 0.00 0.00 58.87 57.28 1ayj n SER 12 Cb 0.43 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 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 2.33 0.35 3.75 0.23 0.00 -1.26 -5.02 105.19 105.57 1ayj n GLY 13 Ca 0.54 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.04 2.46 0.03 1.61 1.01 -1.26 -3.62 120.40 118.60 1ayj s VAL 14 Ca 0.11 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1ayj s VAL 14 Cb -0.00 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1ayj s VAL 14 CO -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.04 1ayj n GLY 16 N 2.08 0.80 3.57 0.00 0.00 -1.20 -4.81 105.19 105.63 1ayj n GLY 16 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 5.93 0.15 1.61 3.84 -1.26 -4.79 114.94 120.42 1ayj s ASN 17 Ca 0.00 -1.39 -0.17 0.00 0.21 0.00 0.00 52.86 51.52 1ayj s ASN 17 Cb 0.00 -2.57 0.09 0.00 -0.55 0.00 0.00 41.25 38.22 1ayj s ASN 17 CO 0.00 -2.05 1.15 -3.20 -2.79 0.00 0.00 177.10 170.21 1ayj n ASN 18 N 11.14 -0.60 -0.16 -4.21 2.85 -1.26 -0.52 115.26 122.50 1ayj n ASN 18 Ca 0.39 1.31 -0.06 0.00 -0.11 0.00 0.00 54.58 56.12 1ayj n ASN 18 Cb 0.48 -0.25 0.00 0.00 1.24 0.00 0.00 39.78 41.26 1ayj n ASN 18 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1ayj h ASN 19 N 0.00 -1.03 -0.06 1.20 -1.24 -1.92 0.12 115.58 112.65 1ayj h ASN 19 Ca 0.21 0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.41 1ayj h ASN 19 Cb 0.39 0.51 -0.00 0.00 0.73 0.00 0.00 38.32 39.96 1ayj h ASN 19 CO -0.73 -0.30 -0.02 0.00 -1.29 0.00 0.00 177.43 175.10 1ayj h ALA 20 N 0.98 0.09 -0.25 1.57 0.00 -1.21 0.52 119.26 120.96 1ayj h ALA 20 Ca 0.21 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ayj h ALA 20 Cb 0.53 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1ayj h ALA 20 CO -0.61 -0.19 -0.34 0.00 0.00 0.00 0.00 179.25 178.11 1ayj h LYS 22 N -0.35 -0.31 0.28 0.00 3.64 -0.68 0.33 116.57 119.47 1ayj h LYS 22 Ca 0.12 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1ayj h LYS 22 Cb 0.56 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1ayj h LYS 22 CO -0.44 -0.21 -0.36 -0.97 -2.27 0.00 0.00 179.45 175.20 1ayj h ASN 23 N -0.32 -1.03 -0.58 4.20 -0.73 -0.59 -0.67 115.58 115.86 1ayj h ASN 23 Ca 0.00 0.09 0.12 0.00 1.87 0.00 0.00 56.30 58.38 1ayj h ASN 23 Cb 0.33 0.35 -0.10 0.00 0.27 0.00 0.00 38.32 39.17 1ayj h ASN 23 CO -0.15 -0.45 -0.05 -0.61 -0.37 0.00 0.00 177.43 175.80 1ayj h GLN 24 N -0.66 0.07 0.53 6.67 -0.00 -0.72 0.29 115.11 121.28 1ayj h GLN 24 Ca -0.03 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 1ayj h GLN 24 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.05 1ayj h GLN 24 CO -0.09 0.05 -0.41 0.00 0.00 0.00 0.00 178.83 178.37 1ayj h ILE 26 N -0.90 0.00 0.00 0.00 3.07 -0.46 0.29 117.51 119.51 1ayj h ILE 26 Ca -0.07 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.06 1ayj h ILE 26 Cb 0.75 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 1ayj h ILE 26 CO 0.01 0.00 -0.15 -1.13 -1.05 0.00 0.00 178.15 175.84 1ayj h ASN 27 N 0.00 0.00 0.51 2.16 -0.73 -0.25 -3.40 115.58 113.87 1ayj h ASN 27 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 1ayj h ASN 27 Cb 0.39 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.98 1ayj h ASN 27 CO 0.00 0.52 -0.25 -0.07 -0.37 0.00 0.00 177.43 177.26 1ayj h LEU 28 N -0.89 -0.58-10.65 0.34 4.07 -0.75 -3.44 115.31 103.41 1ayj h LEU 28 Ca 0.00 0.02 -0.46 0.00 0.08 0.00 0.00 57.88 57.52 1ayj h LEU 28 Cb 0.15 0.15 0.08 0.00 1.08 0.00 0.00 40.66 42.12 1ayj h LEU 28 CO 0.00 -0.17 0.14 -1.83 -1.08 0.00 0.00 178.44 175.50 1ayj s GLU 29 N -3.79 1.84 -0.05 1.13 -1.05 0.08 -5.03 118.70 111.84 1ayj s GLU 29 Ca -0.10 -0.78 0.15 0.00 -0.15 0.00 0.00 54.97 54.09 1ayj s GLU 29 Cb 0.01 -2.27 0.49 0.00 -0.44 0.00 0.00 34.13 31.91 1ayj s GLU 29 CO 0.30 -1.37 1.41 1.63 0.95 0.00 0.00 175.26 178.19 1ayj n LYS 30 N -2.86 3.05 -1.05 -4.83 4.76 -1.26 -4.06 118.16 111.90 1ayj n LYS 30 Ca 0.12 -2.46 -0.37 0.00 -2.87 0.00 0.00 58.31 52.74 1ayj n LYS 30 Cb 0.60 -1.54 0.04 0.00 -1.84 0.00 0.00 35.03 32.28 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 0.67 -4.92 -0.11 7.82 0.00 -1.26 -4.96 120.51 117.74 1ayj n ALA 31 Ca 0.18 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.88 1ayj n ALA 31 Cb 0.63 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 2.19 0.55 -3.80 0.00 5.12 -0.14 -4.51 116.66 116.08 1ayj n ARG 32 Ca 0.00 0.30 -0.21 0.00 -1.93 0.00 0.00 57.85 56.01 1ayj n ARG 32 Cb 0.54 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 30.28 1ayj n ARG 32 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1ayj s HIS 33 N -2.61 2.81 -0.05 -1.55 3.76 -1.22 -4.96 115.29 111.47 1ayj s HIS 33 Ca -0.32 -0.38 -0.31 0.00 -0.15 0.00 0.00 55.06 53.90 1ayj s HIS 33 Cb 0.09 -1.88 0.07 0.00 1.11 0.00 0.00 32.58 31.97 1ayj s HIS 33 CO 0.46 0.13 0.68 0.20 -0.85 0.00 0.00 174.74 175.36 1ayj s GLY 34 N -4.00 -0.57 -0.28 -2.22 0.00 -1.26 -0.75 107.32 98.23 1ayj s GLY 34 Ca 0.42 1.32 -0.23 0.00 0.00 0.00 0.00 44.72 46.23 1ayj s GLY 34 CO 0.26 0.94 0.96 -0.45 0.00 0.00 0.00 173.10 174.81 1ayj s SER 35 N -1.22 -0.54 -1.30 1.64 0.15 0.16 -4.27 113.70 108.32 1ayj s SER 35 Ca -0.11 0.99 -0.17 0.00 0.70 0.00 0.00 55.95 57.36 1ayj s SER 35 Cb -0.00 1.05 0.08 0.00 -1.71 0.00 0.00 66.02 65.44 1ayj s SER 35 CO 0.09 -0.17 1.74 0.00 1.20 0.00 0.00 173.24 176.10 1ayj n ASN 37 N 7.91 0.08 0.00 0.00 2.85 -0.68 -4.60 115.26 120.82 1ayj n ASN 37 Ca 0.48 0.79 0.00 0.00 -0.11 0.00 0.00 54.58 55.74 1ayj n ASN 37 Cb 0.45 -1.30 0.00 0.00 1.24 0.00 0.00 39.78 40.17 1ayj n ASN 37 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ayj n TYR 38 N -1.66 0.00 -1.48 1.20 9.36 -1.26 -0.63 117.16 122.70 1ayj n TYR 38 Ca 0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1ayj n TYR 38 Cb 0.47 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.18 1ayj n TYR 38 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ayj n VAL 39 N 0.00 -2.71 -1.54 2.97 0.31 -1.26 -4.16 118.33 111.94 1ayj n VAL 39 Ca 0.00 1.36 -0.38 0.00 -0.01 0.00 0.00 64.34 65.32 1ayj n VAL 39 Cb 0.00 -2.27 0.05 0.00 -0.91 0.00 0.00 33.84 30.71 1ayj n VAL 39 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1ayj n PHE 40 N -2.57 0.13 0.04 3.52 -0.00 -1.26 -3.48 117.46 113.84 1ayj n PHE 40 Ca -0.00 0.43 -0.20 0.00 -0.00 0.00 0.00 57.45 57.68 1ayj n PHE 40 Cb 0.46 -2.05 -0.14 0.00 -0.00 0.00 0.00 39.48 37.74 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 0.31 0.27 -5.01 -7.13 0.13 -2.02 -3.49 132.00 115.07 1ayj h PRO 41 Ca -0.47 -0.46 -0.47 0.00 -0.87 0.00 0.00 66.00 63.72 1ayj h PRO 41 Cb 1.38 0.17 -0.14 0.00 0.13 0.00 0.00 31.00 32.55 1ayj h PRO 41 CO 0.49 1.22 -0.56 0.00 -0.23 0.00 0.00 178.00 178.92 1ayj s ALA 42 N -2.42 2.35 0.11 -0.56 0.00 -1.23 -5.11 121.76 114.89 1ayj s ALA 42 Ca -0.15 -1.66 -0.31 0.00 0.00 0.00 0.00 51.96 49.84 1ayj s ALA 42 Cb 0.01 0.90 -0.09 0.00 0.00 0.00 0.00 23.12 23.94 1ayj s ALA 42 CO 0.81 -0.40 1.66 -1.01 0.00 0.00 0.00 175.76 176.82 1ayj s HIS 43 N -3.42 2.56 -0.03 0.00 3.76 -1.26 -4.69 115.29 112.22 1ayj s HIS 43 Ca 0.32 0.35 0.05 0.00 -0.15 0.00 0.00 55.06 55.63 1ayj s HIS 43 Cb 0.05 -3.99 -0.01 0.00 1.11 0.00 0.00 32.58 29.74 1ayj s HIS 43 CO 0.16 -3.91 -0.19 -1.59 -0.85 0.00 0.00 174.74 168.36 1ayj s LYS 44 N 2.22 1.79 -0.54 1.40 -2.85 0.20 -0.46 119.74 121.50 1ayj s LYS 44 Ca 0.74 -0.69 -0.28 0.00 -1.00 0.00 0.00 55.97 54.74 1ayj s LYS 44 Cb -0.42 -1.62 0.02 0.00 -2.06 0.00 0.00 37.83 33.75 1ayj s LYS 44 CO 0.33 0.35 1.35 0.00 0.10 0.00 0.00 175.35 177.47 1ayj s ILE 46 N 5.62 5.18 0.00 0.00 -1.09 0.02 -4.50 121.20 126.44 1ayj s ILE 46 Ca 0.52 0.81 0.06 0.00 -2.23 0.00 0.00 60.65 59.81 1ayj s ILE 46 Cb -0.10 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1ayj s ILE 46 CO 0.27 0.41 -0.20 0.00 -1.23 0.00 0.00 174.94 174.19 1ayj s TYR 48 N -0.57 3.21 -0.02 0.00 1.51 0.07 -0.28 117.35 121.28 1ayj s TYR 48 Ca 0.07 -1.12 -0.01 0.00 -1.01 0.00 0.00 57.07 55.01 1ayj s TYR 48 Cb -0.08 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 1ayj s TYR 48 CO 0.00 -0.64 0.08 -0.06 -1.11 0.00 0.00 175.55 173.82 1ayj s PHE 49 N 1.48 3.30 -1.22 2.71 0.08 -0.01 -0.96 117.98 123.36 1ayj s PHE 49 Ca 0.01 0.22 -0.18 0.00 0.12 0.00 0.00 56.93 57.10 1ayj s PHE 49 Cb -0.18 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1ayj s PHE 49 CO 0.04 0.56 1.99 -0.35 -0.10 0.00 0.00 175.22 177.35 1ayj n PRO 50 N 1.30 2.44 0.00 0.24 -0.04 -1.26 -0.39 135.00 137.30 1ayj n PRO 50 Ca -0.14 -2.58 0.07 0.00 -0.04 0.00 0.00 63.50 60.81 1ayj n PRO 50 Cb 0.53 -3.32 0.44 0.00 -0.04 0.00 0.00 33.50 31.11 1ayj n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46