#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 2.83 -0.13 -5.58 1.43 -1.26 -2.97 118.68 113.00 1ayj s LEU 3 Ca 0.00 1.97 0.02 0.00 -1.03 0.00 0.00 54.13 55.09 1ayj s LEU 3 Cb 0.00 -4.48 0.01 0.00 0.03 0.00 0.00 46.19 41.76 1ayj s LEU 3 CO 0.00 -2.65 -0.19 0.00 0.23 0.00 0.00 176.35 173.74 1ayj n GLU 5 N 4.19 2.69 -2.38 0.00 1.02 -1.26 -2.62 120.64 122.28 1ayj n GLU 5 Ca -0.20 -2.72 -0.42 0.00 -0.02 0.00 0.00 57.16 53.81 1ayj n GLU 5 Cb 0.51 -3.35 -0.03 0.00 -0.02 0.00 0.00 31.44 28.55 1ayj n GLU 5 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1ayj s ARG 6 N 4.05 4.40 0.69 3.49 3.00 0.58 -4.74 118.95 130.41 1ayj s ARG 6 Ca 0.52 1.82 -0.16 0.00 -1.00 0.00 0.00 55.73 56.91 1ayj s ARG 6 Cb 0.10 -3.37 0.01 0.00 0.00 0.00 0.00 34.95 31.69 1ayj s ARG 6 CO 0.01 -0.32 1.23 -1.25 0.00 0.00 0.00 175.30 174.97 1ayj s PRO 7 N 1.28 2.39 0.01 5.12 0.04 -1.26 -0.40 135.00 142.17 1ayj s PRO 7 Ca 0.60 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 63.46 1ayj s PRO 7 Cb -0.30 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ayj s PRO 7 CO 0.28 -1.67 0.28 -1.13 0.04 0.00 0.00 177.00 174.81 1ayj n SER 8 N -2.32 -0.07 0.00 6.66 3.41 0.11 -4.77 113.62 116.64 1ayj n SER 8 Ca 0.14 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1ayj n SER 8 Cb 0.50 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1ayj n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ayj n GLY 9 N -1.02 1.56 0.06 5.00 0.00 -1.26 -4.55 105.19 104.98 1ayj n GLY 9 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1ayj n GLY 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ayj h THR 10 N 0.00 0.09 -0.39 2.61 1.35 -1.99 -3.36 112.91 111.21 1ayj h THR 10 Ca 0.00 -1.07 -0.50 0.00 -0.55 0.00 0.00 66.41 64.29 1ayj h THR 10 Cb 0.00 0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 66.57 1ayj h THR 10 CO 0.00 0.03 1.72 1.87 -0.25 0.00 0.00 175.52 178.89 1ayj n TRP 11 N -4.73 2.95 -1.80 4.73 -0.00 -1.26 -4.84 117.44 112.49 1ayj n TRP 11 Ca -0.02 -1.91 -0.40 0.00 -0.00 0.00 0.00 57.50 55.17 1ayj n TRP 11 Cb 0.09 -2.40 -0.01 0.00 -0.00 0.00 0.00 31.31 28.98 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 11.05 8.26 -2.47 5.87 7.64 -1.26 -4.76 113.62 137.95 1ayj n SER 12 Ca 0.47 -2.98 -0.00 0.00 1.01 0.00 0.00 58.87 57.37 1ayj n SER 12 Cb 0.44 -1.42 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 2.24 0.68 3.71 0.23 0.00 -1.26 -5.11 105.19 105.67 1ayj n GLY 13 Ca 0.67 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.47 1.70 0.18 1.61 0.31 -1.26 -4.67 118.33 115.74 1ayj n VAL 14 Ca 0.00 -0.42 0.05 0.00 -0.01 0.00 0.00 64.34 63.96 1ayj n VAL 14 Cb 0.34 -1.65 0.29 0.00 -0.91 0.00 0.00 33.84 31.91 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 0.40 0.92 3.64 0.00 0.00 -1.26 -4.53 105.19 104.36 1ayj n GLY 16 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.49 0.09 1.61 3.84 -1.26 -5.08 114.94 113.64 1ayj s ASN 17 Ca 0.00 0.90 -0.34 0.00 0.21 0.00 0.00 52.86 53.63 1ayj s ASN 17 Cb 0.00 0.99 -0.16 0.00 -0.55 0.00 0.00 41.25 41.54 1ayj s ASN 17 CO 0.00 -0.15 1.54 -1.13 -2.79 0.00 0.00 177.10 174.57 1ayj h ASN 18 N 4.78 -1.44 -0.46 -4.21 -0.73 -1.85 -0.62 115.58 111.05 1ayj h ASN 18 Ca -0.28 0.13 0.08 0.00 1.87 0.00 0.00 56.30 58.09 1ayj h ASN 18 Cb 1.18 0.50 -0.06 0.00 0.27 0.00 0.00 38.32 40.21 1ayj h ASN 18 CO 0.13 -0.61 0.09 -1.13 -0.37 0.00 0.00 177.43 175.54 1ayj h ASN 19 N -0.88 -0.00 0.43 1.15 -1.24 -1.96 0.13 115.58 113.22 1ayj h ASN 19 Ca -0.04 0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 1ayj h ASN 19 Cb 0.81 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.97 1ayj h ASN 19 CO -0.15 0.03 -0.21 0.00 -1.29 0.00 0.00 177.43 175.81 1ayj h ALA 20 N 1.36 -0.58 -0.22 1.57 0.00 -1.90 0.33 119.26 119.81 1ayj h ALA 20 Ca 0.23 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1ayj h ALA 20 Cb 0.29 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1ayj h ALA 20 CO -0.30 -0.80 -0.30 0.00 0.00 0.00 0.00 179.25 177.84 1ayj h LYS 22 N -0.33 -0.33 0.24 0.00 3.64 -0.70 0.54 116.57 119.63 1ayj h LYS 22 Ca 0.12 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1ayj h LYS 22 Cb 0.52 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1ayj h LYS 22 CO -0.41 -0.22 -0.42 -0.97 -2.27 0.00 0.00 179.45 175.16 1ayj h ASN 23 N -0.35 -1.22 -0.68 4.20 -0.73 -0.53 -1.37 115.58 114.91 1ayj h ASN 23 Ca 0.02 0.12 0.13 0.00 1.87 0.00 0.00 56.30 58.44 1ayj h ASN 23 Cb 0.42 0.43 -0.13 0.00 0.27 0.00 0.00 38.32 39.31 1ayj h ASN 23 CO -0.30 -0.50 -0.22 -0.61 -0.37 0.00 0.00 177.43 175.43 1ayj h GLN 24 N -0.71 -0.04 0.46 6.67 -0.00 -0.76 0.28 115.11 121.01 1ayj h GLN 24 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 1ayj h GLN 24 Cb 0.66 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.14 1ayj h GLN 24 CO -0.15 -0.03 -0.37 0.00 0.00 0.00 0.00 178.83 178.28 1ayj h ILE 26 N -0.80 0.00 0.00 0.00 3.07 -0.56 -0.06 117.51 119.16 1ayj h ILE 26 Ca -0.06 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.06 1ayj h ILE 26 Cb 0.67 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 1ayj h ILE 26 CO 0.01 0.00 -0.09 -1.13 -1.05 0.00 0.00 178.15 175.89 1ayj h ASN 27 N 0.00 0.00 0.51 2.16 -0.73 -0.25 -3.41 115.58 113.87 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 0.40 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.99 1ayj h ASN 27 CO 0.00 0.41 -0.25 -0.07 -0.37 0.00 0.00 177.43 177.15 1ayj h LEU 28 N -0.72 -0.58-10.60 0.34 4.07 -0.76 -3.44 115.31 103.61 1ayj h LEU 28 Ca 0.00 0.02 -0.45 0.00 0.08 0.00 0.00 57.88 57.53 1ayj h LEU 28 Cb 0.09 0.15 0.08 0.00 1.08 0.00 0.00 40.66 42.06 1ayj h LEU 28 CO 0.00 -0.17 0.13 -1.83 -1.08 0.00 0.00 178.44 175.48 1ayj s GLU 29 N -3.78 2.05 -0.06 1.13 -1.05 -0.04 -5.02 118.70 111.93 1ayj s GLU 29 Ca -0.10 -0.67 0.15 0.00 -0.15 0.00 0.00 54.97 54.21 1ayj s GLU 29 Cb 0.01 -2.29 0.49 0.00 -0.44 0.00 0.00 34.13 31.90 1ayj s GLU 29 CO 0.30 -1.21 1.42 1.63 0.95 0.00 0.00 175.26 178.34 1ayj n LYS 30 N -2.77 3.07 -1.01 -4.83 4.76 -1.26 -4.08 118.16 112.03 1ayj n LYS 30 Ca 0.10 -2.48 -0.36 0.00 -2.87 0.00 0.00 58.31 52.71 1ayj n LYS 30 Cb 0.60 -1.56 0.06 0.00 -1.84 0.00 0.00 35.03 32.29 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 0.66 -4.22 -0.04 7.82 0.00 -1.26 -4.99 120.51 118.48 1ayj n ALA 31 Ca 0.19 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 1ayj n ALA 31 Cb 0.64 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 1.19 0.22 -4.05 0.00 5.12 -0.02 -4.51 116.66 114.62 1ayj n ARG 32 Ca 0.02 0.33 -0.22 0.00 -1.93 0.00 0.00 57.85 56.05 1ayj n ARG 32 Cb 0.54 -1.15 -0.05 0.00 -1.16 0.00 0.00 32.46 30.64 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 -1.65 2.93 0.14 -1.55 -3.43 -1.21 -4.90 115.29 105.62 1ayj s HIS 33 Ca -0.08 -0.22 -0.13 0.00 -0.80 0.00 0.00 55.06 53.82 1ayj s HIS 33 Cb 0.01 -1.52 0.02 0.00 -1.43 0.00 0.00 32.58 29.66 1ayj s HIS 33 CO 0.12 0.41 0.35 0.20 -2.00 0.00 0.00 174.74 173.83 1ayj s GLY 34 N -3.86 0.02 -0.27 -1.38 0.00 -1.26 -0.62 107.32 99.94 1ayj s GLY 34 Ca 0.36 -0.40 -0.26 0.00 0.00 0.00 0.00 44.72 44.41 1ayj s GLY 34 CO 0.24 -0.53 1.25 -0.56 0.00 0.00 0.00 173.10 173.51 1ayj s SER 35 N -2.87 -0.21 0.09 1.64 0.01 -0.09 -4.49 113.70 107.78 1ayj s SER 35 Ca 0.08 0.37 -0.25 0.00 1.31 0.00 0.00 55.95 57.45 1ayj s SER 35 Cb 0.02 0.36 -0.06 0.00 0.21 0.00 0.00 66.02 66.55 1ayj s SER 35 CO -0.07 -0.10 0.78 0.00 0.41 0.00 0.00 173.24 174.25 1ayj s ASN 37 N -0.40 4.37 0.00 0.00 3.04 -0.01 -4.74 114.94 117.20 1ayj s ASN 37 Ca 0.38 -0.56 0.00 0.00 0.04 0.00 0.00 52.86 52.72 1ayj s ASN 37 Cb -0.21 -0.78 0.00 0.00 -1.54 0.00 0.00 41.25 38.71 1ayj s ASN 37 CO 0.24 0.09 0.00 0.00 -3.04 0.00 0.00 177.10 174.39 1ayj n TYR 38 N -0.11 0.00 -1.18 0.43 9.36 -1.26 -0.64 117.16 123.75 1ayj n TYR 38 Ca -0.10 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.25 1ayj n TYR 38 Cb 0.56 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.20 1ayj n TYR 38 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1ayj n VAL 39 N 0.00 -0.55 -1.17 2.97 0.24 -1.26 -4.32 118.33 114.24 1ayj n VAL 39 Ca 0.00 0.62 -0.34 0.00 -2.04 0.00 0.00 64.34 62.59 1ayj n VAL 39 Cb 0.00 -0.97 0.12 0.00 -1.47 0.00 0.00 33.84 31.52 1ayj n VAL 39 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1ayj s PHE 40 N -4.29 1.82 -0.13 6.34 -0.71 -1.26 -3.80 117.98 115.95 1ayj s PHE 40 Ca 0.00 1.66 -0.27 0.00 -1.04 0.00 0.00 56.93 57.28 1ayj s PHE 40 Cb 0.00 -3.50 -0.24 0.00 -1.21 0.00 0.00 43.02 38.07 1ayj s PHE 40 CO 0.00 -2.87 0.76 -1.00 -1.34 0.00 0.00 175.22 170.77 1ayj h PRO 41 N -0.79 -0.00 -5.48 1.99 0.13 -2.02 -3.49 132.00 122.35 1ayj h PRO 41 Ca -0.47 0.00 -0.63 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 0.47 0.90 -0.58 0.00 -0.23 0.00 0.00 178.00 178.56 1ayj s ALA 42 N -2.39 3.33 0.06 -0.56 0.00 -1.25 -5.10 121.76 115.85 1ayj s ALA 42 Ca -0.18 -1.74 -0.31 0.00 0.00 0.00 0.00 51.96 49.74 1ayj s ALA 42 Cb -0.02 0.20 -0.08 0.00 0.00 0.00 0.00 23.12 23.21 1ayj s ALA 42 CO 0.65 -0.12 1.68 -1.01 0.00 0.00 0.00 175.76 176.96 1ayj s HIS 43 N -2.83 2.31 -0.07 0.00 3.76 -1.26 -4.69 115.29 112.51 1ayj s HIS 43 Ca 0.27 0.25 0.04 0.00 -0.15 0.00 0.00 55.06 55.47 1ayj s HIS 43 Cb 0.07 -3.99 -0.00 0.00 1.11 0.00 0.00 32.58 29.78 1ayj s HIS 43 CO 0.14 -4.01 -0.20 -1.59 -0.85 0.00 0.00 174.74 168.22 1ayj s LYS 44 N 2.86 2.32 -0.48 1.40 -2.85 0.19 -0.71 119.74 122.47 1ayj s LYS 44 Ca 0.75 -0.72 -0.24 0.00 -1.00 0.00 0.00 55.97 54.75 1ayj s LYS 44 Cb -0.40 -1.89 0.03 0.00 -2.06 0.00 0.00 37.83 33.51 1ayj s LYS 44 CO 0.33 0.22 0.88 0.00 0.10 0.00 0.00 175.35 176.88 1ayj s ILE 46 N 3.64 5.08 -0.00 0.00 -1.09 0.09 -0.71 121.20 128.20 1ayj s ILE 46 Ca 0.33 -0.45 -0.04 0.00 -2.23 0.00 0.00 60.65 58.26 1ayj s ILE 46 Cb -0.11 -3.43 -0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1ayj s ILE 46 CO 0.24 0.20 0.08 0.00 -1.23 0.00 0.00 174.94 174.23 1ayj s TYR 48 N -1.01 2.86 0.01 0.00 1.51 0.21 -0.31 117.35 120.62 1ayj s TYR 48 Ca -0.11 -1.08 0.03 0.00 -1.01 0.00 0.00 57.07 54.90 1ayj s TYR 48 Cb -0.06 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.80 1ayj s TYR 48 CO 0.00 -0.54 -0.10 -0.06 -1.11 0.00 0.00 175.55 173.74 1ayj s PHE 49 N 1.13 0.91 -1.16 2.71 0.40 -1.08 -0.84 117.98 120.05 1ayj s PHE 49 Ca 0.01 -0.22 -0.20 0.00 -0.60 0.00 0.00 56.93 55.92 1ayj s PHE 49 Cb -0.14 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.77 1ayj s PHE 49 CO -0.04 -0.01 1.94 -0.35 0.70 0.00 0.00 175.22 177.46 1ayj n PRO 50 N 2.55 2.23 0.00 0.24 -0.04 -1.26 -0.55 135.00 138.18 1ayj n PRO 50 Ca -0.15 -2.54 0.12 0.00 -0.04 0.00 0.00 63.50 60.88 1ayj n PRO 50 Cb 0.56 -3.38 0.70 0.00 -0.04 0.00 0.00 33.50 31.35 1ayj n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46