#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bf9 n ASP 46 N 0.00 0.00 -0.68 4.04 5.68 -1.26 -5.03 116.55 119.31 1bf9 n ASP 46 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.26 1bf9 n ASP 46 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bf9 n GLY 47 N 0.00 0.37 0.00 6.12 0.00 -1.26 -5.01 105.19 105.40 1bf9 n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bf9 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bf9 n ASP 48 N 0.00 0.00 0.12 1.61 8.00 -1.26 -5.05 116.55 119.97 1bf9 n ASP 48 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1bf9 n ASP 48 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1bf9 n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bf9 n GLN 49 N 0.00 0.00 0.00 -1.24 3.00 -1.26 -4.83 117.38 113.05 1bf9 n GLN 49 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1bf9 n GLN 49 Cb 0.00 -0.01 0.29 0.00 0.00 0.00 0.00 30.24 30.52 1bf9 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1bf9 n ALA 51 N -0.66 2.46 -2.19 0.00 0.00 -1.26 -3.36 120.51 115.50 1bf9 n ALA 51 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.38 1bf9 n ALA 51 Cb 0.03 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 1bf9 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bf9 n SER 52 N -0.88 0.11 -3.55 0.00 3.41 -1.23 -4.87 113.62 106.61 1bf9 n SER 52 Ca 0.15 -1.85 -0.22 0.00 -0.26 0.00 0.00 58.87 56.69 1bf9 n SER 52 Cb 0.07 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1bf9 n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1bf9 n SER 53 N 0.19 -5.70 0.00 4.04 2.88 -1.21 -4.80 113.62 109.02 1bf9 n SER 53 Ca -0.05 -0.55 0.13 0.00 -1.33 0.00 0.00 58.87 57.06 1bf9 n SER 53 Cb 0.84 -2.55 0.71 0.00 -0.75 0.00 0.00 64.21 62.46 1bf9 n SER 53 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bf9 n PRO 54 N -1.84 0.60 -2.85 -1.46 -0.04 -1.26 -4.81 135.00 123.34 1bf9 n PRO 54 Ca -0.19 0.02 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 1bf9 n PRO 54 Cb 0.64 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.63 1bf9 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bf9 n GLN 56 N -2.11 0.30 -3.88 0.00 6.02 -1.13 -4.84 117.38 111.73 1bf9 n GLN 56 Ca 0.09 -1.66 -0.38 0.00 -0.01 0.00 0.00 57.00 55.03 1bf9 n GLN 56 Cb 0.60 1.47 0.03 0.00 1.02 0.00 0.00 30.24 33.35 1bf9 n GLN 56 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1bf9 n ASN 57 N -2.09 -4.50 -4.05 1.08 3.02 -1.26 -0.03 115.26 107.43 1bf9 n ASN 57 Ca 0.02 -1.15 -0.33 0.00 -0.03 0.00 0.00 54.58 53.09 1bf9 n ASN 57 Cb 0.32 -2.57 -0.03 0.00 -0.61 0.00 0.00 39.78 36.88 1bf9 n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bf9 n GLY 58 N -1.90 -0.45 3.86 7.41 0.00 -1.26 -4.58 105.19 108.27 1bf9 n GLY 58 Ca -0.11 0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1bf9 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bf9 s GLY 59 N -3.10 2.35 0.72 -0.02 0.00 0.95 -4.74 107.32 103.48 1bf9 s GLY 59 Ca 0.67 -0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.88 1bf9 s GLY 59 CO 0.82 -0.11 1.10 -0.56 0.00 0.00 0.00 173.10 174.35 1bf9 s SER 60 N -1.32 5.34 -0.28 1.64 0.01 -1.07 -4.47 113.70 113.55 1bf9 s SER 60 Ca 0.25 1.11 0.01 0.00 1.31 0.00 0.00 55.95 58.63 1bf9 s SER 60 Cb -0.15 -1.89 0.06 0.00 0.21 0.00 0.00 66.02 64.25 1bf9 s SER 60 CO 0.13 -1.41 -0.06 0.00 0.41 0.00 0.00 173.24 172.31 1bf9 s LYS 62 N 1.16 4.33 -0.24 0.00 2.47 -0.11 -4.90 119.74 122.45 1bf9 s LYS 62 Ca -0.07 1.12 0.01 0.00 -1.56 0.00 0.00 55.97 55.47 1bf9 s LYS 62 Cb -0.20 -2.49 0.06 0.00 -1.46 0.00 0.00 37.83 33.75 1bf9 s LYS 62 CO -0.03 0.14 -0.04 0.34 0.16 0.00 0.00 175.35 175.91 1bf9 s ASP 63 N -1.95 3.94 0.50 1.43 -1.08 -1.26 -2.23 116.67 116.02 1bf9 s ASP 63 Ca 0.55 -1.26 0.04 0.00 -0.52 0.00 0.00 52.55 51.36 1bf9 s ASP 63 Cb -0.13 -1.21 -0.01 0.00 -1.46 0.00 0.00 42.92 40.11 1bf9 s ASP 63 CO 0.18 -0.25 0.18 0.00 0.52 0.00 0.00 175.17 175.80 1bf9 s GLN 64 N 1.36 2.21 0.47 4.34 -2.07 -0.50 -4.99 119.66 120.48 1bf9 s GLN 64 Ca -0.04 -2.15 0.26 0.00 -1.82 0.00 0.00 55.36 51.61 1bf9 s GLN 64 Cb -0.19 -1.82 0.66 0.00 -1.09 0.00 0.00 33.01 30.57 1bf9 s GLN 64 CO -0.07 -0.39 1.73 1.25 -1.32 0.00 0.00 175.29 176.49 1bf9 h LEU 65 N 1.17 0.00 0.05 2.60 7.12 -2.02 -3.22 115.31 121.01 1bf9 h LEU 65 Ca -0.41 0.00 -0.31 0.00 0.13 0.00 0.00 57.88 57.29 1bf9 h LEU 65 Cb 1.30 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.39 1bf9 h LEU 65 CO 0.68 0.00 -1.75 0.06 -0.13 0.00 0.00 178.44 177.30 1bf9 h GLN 66 N 0.00 0.11 0.00 1.25 3.07 -2.03 -3.50 115.11 114.01 1bf9 h GLN 66 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 58.56 1bf9 h GLN 66 Cb 0.85 0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.48 1bf9 h GLN 66 CO 0.00 0.79 0.00 0.45 0.09 0.00 0.00 178.83 180.16 1bf9 n SER 67 N -3.23 0.00 -3.79 0.06 2.88 -1.22 -5.18 113.62 103.15 1bf9 n SER 67 Ca -0.21 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.27 1bf9 n SER 67 Cb 1.05 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.49 1bf9 n SER 67 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1bf9 s TYR 68 N 0.00 -0.21 -0.23 0.66 1.13 -1.26 -1.42 117.35 116.02 1bf9 s TYR 68 Ca 0.00 -0.18 -0.03 0.00 -1.41 0.00 0.00 57.07 55.44 1bf9 s TYR 68 Cb 0.00 0.68 0.12 0.00 -1.10 0.00 0.00 41.96 41.66 1bf9 s TYR 68 CO 0.00 -1.10 0.36 0.42 -2.51 0.00 0.00 175.55 172.72 1bf9 s ILE 69 N -3.75 -0.57 -0.10 -3.49 1.09 -0.95 -4.93 121.20 108.50 1bf9 s ILE 69 Ca 0.10 -0.03 -0.30 0.00 -1.10 0.00 0.00 60.65 59.32 1bf9 s ILE 69 Cb -0.04 -0.76 -0.01 0.00 -1.06 0.00 0.00 42.46 40.58 1bf9 s ILE 69 CO 0.04 -0.10 1.04 0.00 -0.10 0.00 0.00 174.94 175.81 1bf9 s PHE 71 N 2.06 3.35 0.00 0.00 0.40 -0.52 -4.67 117.98 118.60 1bf9 s PHE 71 Ca 0.49 -1.67 0.00 0.00 -0.60 0.00 0.00 56.93 55.15 1bf9 s PHE 71 Cb -0.19 -4.18 0.00 0.00 0.51 0.00 0.00 43.02 39.16 1bf9 s PHE 71 CO 0.18 -1.36 0.00 0.00 0.70 0.00 0.00 175.22 174.75 1bf9 n LEU 73 N 0.00 0.00 0.02 0.00 4.32 -1.26 -4.87 117.00 115.21 1bf9 n LEU 73 Ca 0.00 -2.31 0.03 0.00 -0.02 0.00 0.00 56.01 53.71 1bf9 n LEU 73 Cb 0.00 -0.03 0.15 0.00 -1.62 0.00 0.00 43.42 41.92 1bf9 n LEU 73 CO 0.00 -0.52 0.60 -2.65 -1.22 0.00 0.00 177.39 173.60 1bf9 n PRO 74 N -1.53 0.02 0.02 3.23 -0.02 -1.26 -1.74 135.00 133.72 1bf9 n PRO 74 Ca -0.02 0.44 -0.13 0.00 -2.02 0.00 0.00 63.50 61.77 1bf9 n PRO 74 Cb 0.50 -1.55 -0.14 0.00 -0.02 0.00 0.00 33.50 32.30 1bf9 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bf9 h ALA 75 N 2.15 0.51 -4.80 3.55 0.00 -1.98 -3.47 119.26 115.22 1bf9 h ALA 75 Ca 0.00 -1.27 -0.51 0.00 0.00 0.00 0.00 54.91 53.13 1bf9 h ALA 75 Cb 0.08 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 1bf9 h ALA 75 CO 0.00 1.37 -0.39 1.19 0.00 0.00 0.00 179.25 181.42 1bf9 n PHE 76 N -3.28 0.66 -3.56 0.00 3.01 -0.71 -1.14 117.46 112.45 1bf9 n PHE 76 Ca -0.17 -2.08 -0.08 0.00 1.01 0.00 0.00 57.45 56.14 1bf9 n PHE 76 Cb 1.03 -0.18 -0.03 0.00 -0.01 0.00 0.00 39.48 40.29 1bf9 n PHE 76 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1bf9 s GLU 77 N -3.42 0.58 0.00 -1.08 2.12 -0.95 -4.24 118.70 111.71 1bf9 s GLU 77 Ca 0.06 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1bf9 s GLU 77 Cb 0.00 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.66 1bf9 s GLU 77 CO 0.04 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 1bf9 n GLY 78 N 0.21 3.52 0.14 -1.50 0.00 -1.26 -2.31 105.19 104.00 1bf9 n GLY 78 Ca -0.07 -1.86 0.09 0.00 0.00 0.00 0.00 46.02 44.19 1bf9 n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bf9 n ARG 79 N -1.29 0.11 -2.57 1.61 0.63 -1.26 -2.45 116.66 111.44 1bf9 n ARG 79 Ca 0.00 0.60 -0.00 0.00 -0.92 0.00 0.00 57.85 57.53 1bf9 n ARG 79 Cb 0.00 -1.94 0.06 0.00 0.45 0.00 0.00 32.46 31.03 1bf9 n ARG 79 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1bf9 n ASN 80 N -2.12 0.60 -2.02 6.15 3.02 -1.26 -2.26 115.26 117.37 1bf9 n ASN 80 Ca -0.01 -2.07 -0.03 0.00 -0.03 0.00 0.00 54.58 52.43 1bf9 n ASN 80 Cb 0.09 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bf9 h GLU 82 N 0.00 0.00 -3.72 0.00 4.81 -1.84 -3.40 114.58 110.44 1bf9 h GLU 82 Ca -0.08 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.39 1bf9 h GLU 82 Cb 0.78 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 29.87 1bf9 h GLU 82 CO 0.10 0.00 -0.03 0.99 -0.73 0.00 0.00 179.01 179.34 1bf9 s THR 83 N -3.19 5.02 0.12 0.32 2.01 -0.98 -5.02 115.64 113.92 1bf9 s THR 83 Ca 0.08 -2.72 -0.31 0.00 0.31 0.00 0.00 61.69 59.06 1bf9 s THR 83 Cb 0.09 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.37 1bf9 s THR 83 CO 0.61 -0.99 1.59 -1.00 -0.69 0.00 0.00 174.62 174.14 1bf9 s HIS 84 N -0.03 2.78 -2.00 4.92 3.76 -1.26 -2.24 115.29 121.22 1bf9 s HIS 84 Ca 0.19 0.51 0.04 0.00 -0.15 0.00 0.00 55.06 55.64 1bf9 s HIS 84 Cb -0.13 -3.93 0.21 0.00 1.11 0.00 0.00 32.58 29.84 1bf9 s HIS 84 CO -0.07 -3.55 0.69 1.63 -0.85 0.00 0.00 174.74 172.58