#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 2.70 -4.38 3.14 4.77 -1.26 -4.75 117.00 117.22 1ayj n LEU 3 Ca 0.00 0.62 -0.45 0.00 -0.03 0.00 0.00 56.01 56.16 1ayj n LEU 3 Cb 0.00 -1.36 -0.06 0.00 -2.33 0.00 0.00 43.42 39.67 1ayj n LEU 3 CO 0.00 -2.37 0.15 0.00 -1.33 0.00 0.00 177.39 173.84 1ayj s GLU 5 N 1.92 2.99 0.14 0.00 8.01 -1.26 -3.45 118.70 127.06 1ayj s GLU 5 Ca 0.07 0.72 -0.30 0.00 0.01 0.00 0.00 54.97 55.47 1ayj s GLU 5 Cb -0.25 -4.26 -0.07 0.00 -4.31 0.00 0.00 34.13 25.24 1ayj s GLU 5 CO 0.07 -2.29 0.96 1.03 0.01 0.00 0.00 175.26 175.03 1ayj s ARG 6 N 6.25 4.74 0.73 1.61 3.00 0.51 -4.89 118.95 130.90 1ayj s ARG 6 Ca 0.65 1.46 -0.12 0.00 0.00 0.00 0.00 55.73 57.72 1ayj s ARG 6 Cb -0.14 -3.35 0.18 0.00 0.00 0.00 0.00 34.95 31.63 1ayj s ARG 6 CO 0.25 0.29 0.76 -0.35 0.00 0.00 0.00 175.30 176.24 1ayj n PRO 7 N 2.46 -1.80 -2.36 3.54 -0.04 -1.26 -1.02 135.00 134.52 1ayj n PRO 7 Ca 0.01 -1.19 -0.36 0.00 -0.04 0.00 0.00 63.50 61.92 1ayj n PRO 7 Cb 0.49 -0.98 -0.03 0.00 -0.04 0.00 0.00 33.50 32.94 1ayj n PRO 7 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ayj s SER 8 N -3.66 6.05 0.11 3.54 0.01 -1.12 -4.67 113.70 113.96 1ayj s SER 8 Ca 0.46 -1.91 0.04 0.00 1.31 0.00 0.00 55.95 55.86 1ayj s SER 8 Cb -0.03 -2.58 -0.21 0.00 0.21 0.00 0.00 66.02 63.41 1ayj s SER 8 CO 0.34 -1.99 1.25 1.23 0.41 0.00 0.00 173.24 174.49 1ayj h GLY 9 N 14.78 0.10 0.00 3.44 0.00 -1.89 -3.19 103.07 116.31 1ayj h GLY 9 Ca 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ayj h GLY 9 CO 1.36 0.21 -0.04 -0.91 0.00 0.00 0.00 176.54 177.16 1ayj h THR 10 N 0.03 0.00 -0.03 4.70 1.35 -1.96 -3.41 112.91 113.58 1ayj h THR 10 Ca -0.05 -0.15 -0.69 0.00 -0.55 0.00 0.00 66.41 64.97 1ayj h THR 10 Cb 1.80 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 1ayj h THR 10 CO 0.15 0.00 2.86 1.87 -0.25 0.00 0.00 175.52 180.15 1ayj n TRP 11 N -2.51 3.11 -2.10 4.73 -0.00 -1.26 -4.83 117.44 114.57 1ayj n TRP 11 Ca -0.00 -2.64 -0.42 0.00 -0.00 0.00 0.00 57.50 54.44 1ayj n TRP 11 Cb 0.02 -2.33 0.00 0.00 -0.00 0.00 0.00 31.31 29.00 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 6.65 5.40 -2.91 5.87 7.64 -1.20 -4.70 113.62 130.36 1ayj n SER 12 Ca 0.51 -3.03 -0.02 0.00 1.01 0.00 0.00 58.87 57.34 1ayj n SER 12 Cb 0.40 -1.51 0.02 0.00 -1.01 0.00 0.00 64.21 62.11 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 2.98 0.69 3.75 0.23 0.00 -1.26 -5.12 105.19 106.46 1ayj n GLY 13 Ca 0.47 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.14 2.69 0.19 1.61 1.01 -1.26 -4.74 120.40 117.76 1ayj s VAL 14 Ca 0.19 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.80 1ayj s VAL 14 Cb -0.02 -3.38 -0.12 0.00 0.00 0.00 0.00 36.38 32.86 1ayj s VAL 14 CO 0.04 0.10 1.43 0.00 0.00 0.00 0.00 175.10 176.68 1ayj n GLY 16 N 0.67 1.03 3.04 0.00 0.00 -1.26 -4.71 105.19 103.96 1ayj n GLY 16 Ca -0.03 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 1.31 0.07 1.61 3.84 -1.26 -5.00 114.94 115.52 1ayj s ASN 17 Ca 0.00 -0.20 -0.27 0.00 0.21 0.00 0.00 52.86 52.60 1ayj s ASN 17 Cb 0.00 -0.24 -0.12 0.00 -0.55 0.00 0.00 41.25 40.35 1ayj s ASN 17 CO 0.00 0.11 1.42 -1.13 -2.79 0.00 0.00 177.10 174.71 1ayj h ASN 18 N 6.09 -1.17 -0.70 -4.21 -0.73 -1.87 -1.24 115.58 111.75 1ayj h ASN 18 Ca -0.33 0.11 0.11 0.00 1.87 0.00 0.00 56.30 58.07 1ayj h ASN 18 Cb 1.17 0.42 -0.08 0.00 0.27 0.00 0.00 38.32 40.10 1ayj h ASN 18 CO 0.49 -0.45 0.30 -1.13 -0.37 0.00 0.00 177.43 176.27 1ayj h ASN 19 N -0.63 0.34 0.47 1.15 -0.00 -1.94 0.17 115.58 115.14 1ayj h ASN 19 Ca -0.02 0.08 -0.02 0.00 -0.00 0.00 0.00 56.30 56.34 1ayj h ASN 19 Cb 0.60 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.96 1ayj h ASN 19 CO -0.17 0.18 -0.23 0.00 -0.00 0.00 0.00 177.43 177.21 1ayj h ALA 20 N 1.46 -0.63 -0.37 1.57 0.00 -1.91 -0.53 119.26 118.85 1ayj h ALA 20 Ca 0.36 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1ayj h ALA 20 Cb 0.45 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 1ayj h ALA 20 CO -0.32 -0.80 -0.22 0.00 0.00 0.00 0.00 179.25 177.91 1ayj h LYS 22 N -0.16 -0.44 0.11 0.00 3.64 -0.62 0.16 116.57 119.26 1ayj h LYS 22 Ca 0.18 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1ayj h LYS 22 Cb 0.44 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 1ayj h LYS 22 CO -0.47 -0.29 -0.47 -0.97 -2.27 0.00 0.00 179.45 174.98 1ayj h ASN 23 N -0.46 -1.41 -0.73 4.20 -0.73 -0.72 -1.66 115.58 114.08 1ayj h ASN 23 Ca 0.02 0.15 0.14 0.00 1.87 0.00 0.00 56.30 58.47 1ayj h ASN 23 Cb 0.51 0.52 -0.14 0.00 0.27 0.00 0.00 38.32 39.48 1ayj h ASN 23 CO -0.29 -0.49 -0.23 -0.61 -0.37 0.00 0.00 177.43 175.44 1ayj h GLN 24 N -0.67 -0.03 0.64 6.67 -0.00 -0.68 0.31 115.11 121.34 1ayj h GLN 24 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 1ayj h GLN 24 Cb 0.67 0.01 0.01 0.00 0.00 0.00 0.00 27.48 28.17 1ayj h GLN 24 CO -0.25 -0.02 -0.31 0.00 0.00 0.00 0.00 178.83 178.24 1ayj h ILE 26 N -0.87 0.00 0.00 0.00 3.07 -0.63 0.02 117.51 119.11 1ayj h ILE 26 Ca -0.09 -0.40 -0.03 0.00 1.55 0.00 0.00 64.86 65.90 1ayj h ILE 26 Cb 0.67 1.27 -0.00 0.00 -0.27 0.00 0.00 36.82 38.48 1ayj h ILE 26 CO 0.14 0.00 -0.27 -1.13 -1.05 0.00 0.00 178.15 175.84 1ayj h ASN 27 N 0.00 0.00 0.20 2.16 -0.73 -0.18 -3.40 115.58 113.63 1ayj h ASN 27 Ca 0.00 -0.25 -0.01 0.00 1.87 0.00 0.00 56.30 57.91 1ayj h ASN 27 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.14 1ayj h ASN 27 CO 0.00 0.77 -0.10 -0.07 -0.37 0.00 0.00 177.43 177.67 1ayj h LEU 28 N -1.00 -0.23 0.00 0.34 4.07 -0.69 -3.45 115.31 114.35 1ayj h LEU 28 Ca -0.04 0.01 -0.47 0.00 0.08 0.00 0.00 57.88 57.46 1ayj h LEU 28 Cb 0.47 0.06 0.11 0.00 1.08 0.00 0.00 40.66 42.38 1ayj h LEU 28 CO -0.02 -0.07 0.19 -1.84 -1.08 0.00 0.00 178.44 175.62 1ayj n GLU 29 N -3.26 -0.42 -0.26 1.13 0.28 -0.01 -5.03 120.64 113.08 1ayj n GLU 29 Ca -0.03 -2.62 0.06 0.00 -0.16 0.00 0.00 57.16 54.42 1ayj n GLU 29 Cb 0.11 -0.85 0.19 0.00 1.43 0.00 0.00 31.44 32.31 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 -3.13 2.92 -1.16 3.44 4.76 -1.26 -4.11 118.16 119.62 1ayj n LYS 30 Ca 0.17 -2.27 -0.37 0.00 -2.87 0.00 0.00 58.31 52.97 1ayj n LYS 30 Cb 0.60 -1.42 0.04 0.00 -1.84 0.00 0.00 35.03 32.40 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 -3.49 -0.07 7.82 0.00 -1.26 -4.98 120.51 118.86 1ayj n ALA 31 Ca 0.14 -0.31 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 1ayj n ALA 31 Cb 0.55 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 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 1.25 0.46 -4.42 0.00 5.12 -1.26 -4.48 116.66 113.33 1ayj n ARG 32 Ca 0.05 0.51 -0.34 0.00 -1.93 0.00 0.00 57.85 56.14 1ayj n ARG 32 Cb 0.51 -1.68 -0.10 0.00 -1.16 0.00 0.00 32.46 30.03 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 -2.29 3.08 0.09 -1.55 -3.43 -1.21 -4.93 115.29 105.04 1ayj s HIS 33 Ca -0.16 0.12 0.05 0.00 -0.80 0.00 0.00 55.06 54.26 1ayj s HIS 33 Cb 0.02 -1.73 -0.03 0.00 -1.43 0.00 0.00 32.58 29.40 1ayj s HIS 33 CO 0.23 0.43 -0.12 0.20 -2.00 0.00 0.00 174.74 173.49 1ayj s GLY 34 N -1.05 0.88 -0.30 -1.38 0.00 -1.26 -1.05 107.32 103.16 1ayj s GLY 34 Ca 0.15 -1.12 -0.16 0.00 0.00 0.00 0.00 44.72 43.58 1ayj s GLY 34 CO 0.04 -1.18 1.15 -0.45 0.00 0.00 0.00 173.10 172.67 1ayj s SER 35 N -2.17 -0.24 0.33 1.64 0.15 -0.74 -4.38 113.70 108.29 1ayj s SER 35 Ca 0.03 0.16 -0.27 0.00 0.70 0.00 0.00 55.95 56.56 1ayj s SER 35 Cb -0.06 1.20 -0.09 0.00 -1.71 0.00 0.00 66.02 65.36 1ayj s SER 35 CO 0.01 -0.05 1.13 0.00 1.20 0.00 0.00 173.24 175.54 1ayj s ASN 37 N -1.01 3.46 0.00 0.00 2.47 -0.13 -4.63 114.94 115.10 1ayj s ASN 37 Ca 0.50 -0.73 0.00 0.00 0.42 0.00 0.00 52.86 53.05 1ayj s ASN 37 Cb -0.31 -0.30 0.00 0.00 -1.45 0.00 0.00 41.25 39.20 1ayj s ASN 37 CO 0.39 0.17 0.00 0.00 -3.72 0.00 0.00 177.10 173.94 1ayj n TYR 38 N 0.78 0.00 -1.01 0.43 9.36 -1.26 -0.67 117.16 124.79 1ayj n TYR 38 Ca -0.17 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.11 1ayj n TYR 38 Cb 0.53 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.21 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 -1.34 -0.99 2.97 0.31 -1.26 -4.46 118.33 113.56 1ayj n VAL 39 Ca 0.00 0.82 -0.33 0.00 -0.01 0.00 0.00 64.34 64.82 1ayj n VAL 39 Cb 0.00 -1.31 0.13 0.00 -0.91 0.00 0.00 33.84 31.74 1ayj n VAL 39 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1ayj n PHE 40 N -2.85 0.56 -0.06 3.52 -1.74 -1.26 -3.92 117.46 111.70 1ayj n PHE 40 Ca -0.03 0.37 -0.12 0.00 -0.56 0.00 0.00 57.45 57.11 1ayj n PHE 40 Cb 0.38 -2.02 -0.11 0.00 1.52 0.00 0.00 39.48 39.26 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 -1.14 -0.00 -5.22 3.97 0.13 -2.00 -3.49 132.00 124.25 1ayj h PRO 41 Ca -0.45 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.04 1ayj h PRO 41 Cb 1.30 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 1ayj h PRO 41 CO 0.43 0.85 -0.53 0.00 -0.23 0.00 0.00 178.00 178.51 1ayj s ALA 42 N -2.36 3.67 -0.17 -0.56 0.00 -1.25 -5.09 121.76 116.00 1ayj s ALA 42 Ca -0.16 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 1ayj s ALA 42 Cb -0.02 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1ayj s ALA 42 CO 0.60 -0.11 1.79 -1.01 0.00 0.00 0.00 175.76 177.03 1ayj s HIS 43 N -2.95 1.78 -0.24 0.00 3.76 -1.26 -4.70 115.29 111.68 1ayj s HIS 43 Ca 0.14 0.36 -0.08 0.00 -0.15 0.00 0.00 55.06 55.33 1ayj s HIS 43 Cb 0.03 -4.02 -0.04 0.00 1.11 0.00 0.00 32.58 29.66 1ayj s HIS 43 CO 0.08 -3.63 0.10 0.15 -0.85 0.00 0.00 174.74 170.59 1ayj s LYS 44 N 4.94 3.86 -1.15 1.40 1.02 0.16 -0.84 119.74 129.13 1ayj s LYS 44 Ca 0.80 -0.38 -0.22 0.00 0.02 0.00 0.00 55.97 56.19 1ayj s LYS 44 Cb -0.30 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 1ayj s LYS 44 CO 0.32 -0.03 1.82 0.00 -0.92 0.00 0.00 175.35 176.55 1ayj s ILE 46 N 8.21 4.05 -0.01 0.00 -1.09 -1.25 -2.78 121.20 128.34 1ayj s ILE 46 Ca 0.62 2.02 0.03 0.00 -2.23 0.00 0.00 60.65 61.09 1ayj s ILE 46 Cb -0.00 -4.28 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 1ayj s ILE 46 CO 0.06 0.46 -0.11 0.00 -1.23 0.00 0.00 174.94 174.12 1ayj s TYR 48 N -0.19 3.13 0.17 0.00 1.51 -0.21 -0.36 117.35 121.40 1ayj s TYR 48 Ca 0.03 -1.93 -0.17 0.00 -1.01 0.00 0.00 57.07 53.99 1ayj s TYR 48 Cb -0.05 -1.99 0.03 0.00 -0.11 0.00 0.00 41.96 39.84 1ayj s TYR 48 CO -0.00 -0.81 0.49 -0.59 -1.11 0.00 0.00 175.55 173.52 1ayj s PHE 49 N 1.22 -0.18 0.74 2.71 -0.71 -1.22 -3.34 117.98 117.19 1ayj s PHE 49 Ca -0.04 -0.14 -0.16 0.00 -1.04 0.00 0.00 56.93 55.56 1ayj s PHE 49 Cb -0.18 0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 41.98 1ayj s PHE 49 CO -0.06 -0.84 0.74 -2.30 -1.34 0.00 0.00 175.22 171.42 1ayj n PRO 50 N -0.31 0.33 0.00 1.99 -0.02 -1.26 -0.66 135.00 135.08 1ayj n PRO 50 Ca -0.13 0.16 0.11 0.00 -2.02 0.00 0.00 63.50 61.63 1ayj n PRO 50 Cb 0.63 -2.02 0.65 0.00 -0.02 0.00 0.00 33.50 32.74 1ayj n PRO 50 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48