#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eja n THR 8 N 0.00 0.00 -1.65 12.58 -2.24 0.58 -4.95 114.28 118.60 1eja n THR 8 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1eja n THR 8 Cb 0.00 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.30 1eja n THR 8 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1eja n PRO 9 N -0.08 0.98 -3.35 -0.78 -0.02 -1.26 -0.69 135.00 129.80 1eja n PRO 9 Ca 0.00 0.39 0.02 0.00 -2.02 0.00 0.00 63.50 61.89 1eja n PRO 9 Cb 0.00 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.04 1eja n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1eja n GLY 11 N 5.35 3.02 0.20 0.00 0.00 -1.24 -0.69 105.19 111.84 1eja n GLY 11 Ca -0.07 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 45.97 1eja n GLY 11 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1eja h PRO 12 N 0.00 0.00 -5.49 1.61 0.11 -1.92 -3.46 132.00 122.85 1eja h PRO 12 Ca 0.00 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.47 1eja h PRO 12 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 1eja h PRO 12 CO 0.00 0.00 -0.41 0.14 -0.21 0.00 0.00 178.00 177.52 1eja s VAL 13 N -3.39 1.28 -0.10 3.15 -7.23 0.14 -5.15 120.40 109.11 1eja s VAL 13 Ca 0.05 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1eja s VAL 13 Cb 0.09 -2.06 0.04 0.00 0.56 0.00 0.00 36.38 35.00 1eja s VAL 13 CO 0.54 0.00 0.02 0.42 -0.31 0.00 0.00 175.10 175.77 1eja s THR 14 N -2.85 0.33 0.13 5.32 -4.23 -1.26 -0.21 115.64 112.86 1eja s THR 14 Ca 0.16 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.38 1eja s THR 14 Cb -0.01 -0.59 -0.07 0.00 1.34 0.00 0.00 72.50 73.18 1eja s THR 14 CO 0.10 0.14 1.17 0.00 -0.54 0.00 0.00 174.62 175.49 1eja s SER 16 N 0.50 4.57 0.00 0.00 1.04 -1.26 -0.31 113.70 118.24 1eja s SER 16 Ca 0.55 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1eja s SER 16 Cb -0.30 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.53 1eja s SER 16 CO 0.33 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1eja n GLY 17 N -1.39 0.55 0.98 7.32 0.00 -1.26 -0.56 105.19 110.83 1eja n GLY 17 Ca -0.01 0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1eja n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eja n ALA 18 N 2.64 2.98 -2.63 4.61 0.00 -1.26 -2.29 120.51 124.56 1eja n ALA 18 Ca 0.00 -0.70 -0.38 0.00 0.00 0.00 0.00 53.44 52.36 1eja n ALA 18 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 1eja n ALA 18 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1eja s GLN 19 N -1.66 3.79 -0.04 0.00 -0.21 0.28 -4.56 119.66 117.25 1eja s GLN 19 Ca 0.20 0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.82 1eja s GLN 19 Cb 0.15 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.91 1eja s GLN 19 CO 0.07 0.69 -0.03 -1.64 -2.12 0.00 0.00 175.29 172.26 1eja s MET 20 N -0.98 2.78 -0.08 2.91 -1.94 0.67 -2.68 119.30 119.98 1eja s MET 20 Ca 0.21 -0.56 -0.24 0.00 -1.71 0.00 0.00 55.69 53.38 1eja s MET 20 Cb -0.15 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.01 1eja s MET 20 CO 0.10 0.65 0.75 0.00 -0.01 0.00 0.00 175.02 176.51 1eja s GLU 22 N 1.12 2.19 0.00 0.00 2.12 0.28 -4.96 118.70 119.45 1eja s GLU 22 Ca 0.39 -2.46 0.00 0.00 0.36 0.00 0.00 54.97 53.25 1eja s GLU 22 Cb -0.18 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.71 1eja s GLU 22 CO 0.18 -1.12 0.00 0.28 -0.54 0.00 0.00 175.26 174.06 1eja n VAL 23 N 3.47 0.00 -0.33 3.70 0.31 -1.26 -1.28 118.33 122.94 1eja n VAL 23 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1eja n VAL 23 Cb 0.36 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 1eja n VAL 23 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1eja n ASP 24 N 0.73 0.98 -4.24 4.52 5.68 -1.26 -3.68 116.55 119.29 1eja n ASP 24 Ca 0.00 -1.31 -0.21 0.00 -0.50 0.00 0.00 54.79 52.77 1eja n ASP 24 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 1eja n ASP 24 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1eja s LYS 25 N -0.31 0.99 -0.21 0.11 -2.85 -0.40 -4.39 119.74 112.68 1eja s LYS 25 Ca 0.00 -1.08 -0.06 0.00 -1.00 0.00 0.00 55.97 53.83 1eja s LYS 25 Cb 0.00 -1.13 -0.03 0.00 -2.06 0.00 0.00 37.83 34.61 1eja s LYS 25 CO 0.00 0.26 0.03 0.00 0.10 0.00 0.00 175.35 175.74 1eja n VAL 27 N 4.29 0.00 0.00 0.00 0.24 0.45 -4.90 118.33 118.41 1eja n VAL 27 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1eja n VAL 27 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1eja n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1eja n SER 29 N 2.10 -4.82 -3.36 0.00 2.88 -1.26 -4.92 113.62 104.24 1eja n SER 29 Ca 0.00 0.80 -0.26 0.00 -1.33 0.00 0.00 58.87 58.08 1eja n SER 29 Cb 0.00 -2.16 -0.09 0.00 -0.75 0.00 0.00 64.21 61.21 1eja n SER 29 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1eja n ASP 30 N -1.42 -0.11 -4.39 -3.46 9.92 -1.26 -4.68 116.55 111.14 1eja n ASP 30 Ca 0.00 -2.51 -0.41 0.00 -0.53 0.00 0.00 54.79 51.35 1eja n ASP 30 Cb 0.11 -0.58 -0.11 0.00 -0.64 0.00 0.00 41.12 39.89 1eja n ASP 30 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1eja s LEU 31 N -0.37 4.79 0.28 0.64 2.96 -1.26 -5.07 118.68 120.66 1eja s LEU 31 Ca 0.33 -0.98 0.02 0.00 -0.22 0.00 0.00 54.13 53.29 1eja s LEU 31 Cb 0.07 -2.05 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 1eja s LEU 31 CO -0.17 -0.40 0.07 -1.00 -1.32 0.00 0.00 176.35 173.53 1eja s HIS 32 N 1.58 1.71 0.44 5.38 3.76 -1.26 -4.02 115.29 122.86 1eja s HIS 32 Ca 0.03 -1.06 -0.12 0.00 -0.15 0.00 0.00 55.06 53.76 1eja s HIS 32 Cb -0.19 -1.05 -0.07 0.00 1.11 0.00 0.00 32.58 32.38 1eja s HIS 32 CO 0.07 -0.17 0.82 0.00 -0.85 0.00 0.00 174.74 174.62 1eja n LYS 34 N -1.43 2.07 -3.98 0.00 5.02 -1.26 -4.92 118.16 113.66 1eja n LYS 34 Ca 0.03 -1.96 -0.25 0.00 -2.02 0.00 0.00 58.31 54.11 1eja n LYS 34 Cb 0.54 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 1eja n LYS 34 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1eja s VAL 35 N -2.47 5.11 0.11 -0.18 1.01 -1.26 -5.09 120.40 117.64 1eja s VAL 35 Ca 0.43 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1eja s VAL 35 Cb 0.31 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 1eja s VAL 35 CO -0.08 -0.13 0.99 -0.54 0.00 0.00 0.00 175.10 175.34 1eja s LYS 36 N -3.31 4.66 -0.38 2.72 1.02 -1.26 -5.02 119.74 118.17 1eja s LYS 36 Ca 0.34 1.50 -0.07 0.00 0.02 0.00 0.00 55.97 57.76 1eja s LYS 36 Cb -0.10 -3.37 0.06 0.00 -0.52 0.00 0.00 37.83 33.90 1eja s LYS 36 CO 0.27 0.16 0.17 0.00 -0.92 0.00 0.00 175.35 175.03 1eja n GLU 38 N 4.82 -0.06 -0.53 0.00 1.02 -1.26 0.54 120.64 125.17 1eja n GLU 38 Ca -0.10 1.18 0.07 0.00 -0.02 0.00 0.00 57.16 58.29 1eja n GLU 38 Cb 0.43 -2.00 0.15 0.00 -0.02 0.00 0.00 31.44 30.01 1eja n GLU 38 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1eja n HIS 39 N -5.01 0.00 0.00 -0.32 8.25 -1.26 -5.07 115.22 111.81 1eja n HIS 39 Ca 0.25 -1.14 0.00 0.00 -0.26 0.00 0.00 57.72 56.58 1eja n HIS 39 Cb 0.85 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.77 1eja n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1eja n GLY 40 N -0.97 -1.03 3.83 -1.41 0.00 0.19 -4.60 105.19 101.20 1eja n GLY 40 Ca 0.15 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 1eja n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1eja s PHE 41 N -1.35 3.29 -0.17 1.61 0.40 -1.26 -0.90 117.98 119.60 1eja s PHE 41 Ca 0.00 1.43 -0.29 0.00 -0.60 0.00 0.00 56.93 57.47 1eja s PHE 41 Cb 0.00 -2.85 -0.02 0.00 0.51 0.00 0.00 43.02 40.65 1eja s PHE 41 CO 0.00 -0.82 1.42 0.15 0.70 0.00 0.00 175.22 176.67 1eja s LYS 42 N -4.52 4.09 -0.07 0.44 1.02 0.22 -4.57 119.74 116.34 1eja s LYS 42 Ca 0.59 1.71 0.03 0.00 0.02 0.00 0.00 55.97 58.32 1eja s LYS 42 Cb -0.13 -3.88 -0.02 0.00 -0.52 0.00 0.00 37.83 33.28 1eja s LYS 42 CO 0.43 -0.92 -0.16 0.15 -0.92 0.00 0.00 175.35 173.93 1eja s LYS 43 N 3.95 2.74 -0.30 1.68 1.02 -1.25 -1.09 119.74 126.49 1eja s LYS 43 Ca 0.62 -0.74 -0.16 0.00 0.02 0.00 0.00 55.97 55.71 1eja s LYS 43 Cb -0.24 -2.40 0.17 0.00 -0.52 0.00 0.00 37.83 34.84 1eja s LYS 43 CO 0.22 0.47 1.09 0.16 -0.92 0.00 0.00 175.35 176.37 1eja s ASP 44 N -0.34 -0.38 0.00 2.83 1.47 -1.26 -4.90 116.67 114.09 1eja s ASP 44 Ca 0.03 0.55 0.00 0.00 1.18 0.00 0.00 52.55 54.31 1eja s ASP 44 Cb -0.13 1.32 0.00 0.00 -0.34 0.00 0.00 42.92 43.78 1eja s ASP 44 CO 0.02 -0.08 0.00 0.47 0.68 0.00 0.00 175.17 176.26 1eja n ASP 45 N 4.24 0.00 0.04 2.11 9.92 -1.26 -4.54 116.55 127.06 1eja n ASP 45 Ca -0.12 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 53.91 1eja n ASP 45 Cb 0.55 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.89 1eja n ASP 45 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1eja h ASN 46 N 0.00 0.51 -5.00 -2.24 2.35 -2.01 -3.51 115.58 105.68 1eja h ASN 46 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.81 1eja h ASN 46 Cb 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1eja h ASN 46 CO 0.00 1.81 0.00 0.61 -1.65 0.00 0.00 177.43 178.20 1eja n GLY 47 N 1.91 -0.34 7.00 2.83 0.00 -1.26 -5.10 105.19 110.23 1eja n GLY 47 Ca -0.28 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.47 1eja n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eja s GLU 49 N 0.00 1.95 0.10 0.00 2.02 -1.26 -3.92 118.70 117.59 1eja s GLU 49 Ca 0.00 -2.16 -0.08 0.00 0.02 0.00 0.00 54.97 52.75 1eja s GLU 49 Cb 0.00 -1.30 -0.06 0.00 0.10 0.00 0.00 34.13 32.87 1eja s GLU 49 CO 0.00 -0.22 0.40 0.71 0.02 0.00 0.00 175.26 176.17 1eja s TYR 50 N -2.95 3.54 0.00 1.61 1.51 -0.25 -4.92 117.35 115.89 1eja s TYR 50 Ca 0.26 0.73 0.00 0.00 -1.01 0.00 0.00 57.07 57.04 1eja s TYR 50 Cb 0.06 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 1eja s TYR 50 CO 0.13 0.48 0.82 0.00 -1.11 0.00 0.00 175.55 175.87 1eja n ALA 51 N 0.63 -0.11 -2.90 3.71 0.00 -1.26 -4.16 120.51 116.42 1eja n ALA 51 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 1eja n ALA 51 Cb 0.52 0.26 -0.03 0.00 0.00 0.00 0.00 19.45 20.20 1eja n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1eja s ILE 53 N -4.31 -0.60 0.70 0.00 1.01 -1.26 -5.04 121.20 111.71 1eja s ILE 53 Ca 0.47 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 1eja s ILE 53 Cb 0.31 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 42.08 1eja s ILE 53 CO -0.13 -0.04 1.08 0.00 0.00 0.00 0.00 174.94 175.85 1eja s ALA 55 N -3.33 3.48 0.22 0.00 0.00 -0.08 -4.44 121.76 117.61 1eja s ALA 55 Ca 0.58 -2.28 -0.17 0.00 0.00 0.00 0.00 51.96 50.10 1eja s ALA 55 Cb -0.11 -3.43 0.23 0.00 0.00 0.00 0.00 23.12 19.81 1eja s ALA 55 CO 0.50 -2.22 1.58 0.38 0.00 0.00 0.00 175.76 176.01 1eja h ASP 56 N 9.08 -1.11 -2.32 0.00 3.04 -1.95 -3.35 116.42 119.81 1eja h ASP 56 Ca -0.29 0.26 -0.55 0.00 -3.24 0.00 0.00 57.03 53.21 1eja h ASP 56 Cb 1.09 0.60 -0.08 0.00 -1.04 0.00 0.00 39.33 39.91 1eja h ASP 56 CO 1.07 -0.29 -0.60 0.00 -2.04 0.00 0.00 179.24 177.38 1eja s ALA 57 N -6.06 3.34 1.23 4.15 0.00 -1.26 -4.85 121.76 118.31 1eja s ALA 57 Ca -0.14 -1.51 -0.13 0.00 0.00 0.00 0.00 51.96 50.19 1eja s ALA 57 Cb 0.19 -1.03 0.19 0.00 0.00 0.00 0.00 23.12 22.48 1eja s ALA 57 CO 0.72 0.30 0.49 -2.30 0.00 0.00 0.00 175.76 174.97 1eja n PRO 58 N -0.86 -3.23 0.00 0.00 -0.02 -1.26 -4.94 135.00 124.69 1eja n PRO 58 Ca -0.07 -0.81 0.00 0.00 -2.02 0.00 0.00 63.50 60.60 1eja n PRO 58 Cb 0.58 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 1eja n PRO 58 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52