#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 -5.96 0.00 4.04 9.92 -1.26 -4.89 116.55 118.40 1bf9 n ASP 46 Ca 0.00 -0.31 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 1bf9 n ASP 46 Cb 0.00 -4.18 0.00 0.00 -0.64 0.00 0.00 41.12 36.30 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bf9 n GLY 47 N -1.43 -1.89 0.00 0.44 0.00 -1.26 -5.07 105.19 95.97 1bf9 n GLY 47 Ca -0.03 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.70 0.00 0.10 1.61 8.00 -1.26 -5.02 116.55 118.28 1bf9 n ASP 48 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1bf9 n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.75 -1.24 6.02 -1.26 -4.83 117.38 115.32 1bf9 n GLN 49 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1bf9 n GLN 49 Cb 0.00 -0.19 -0.02 0.00 1.02 0.00 0.00 30.24 31.05 1bf9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bf9 n ALA 51 N 1.29 0.58 -1.28 0.00 0.00 -1.26 -4.62 120.51 115.21 1bf9 n ALA 51 Ca 0.18 -0.61 -0.25 0.00 0.00 0.00 0.00 53.44 52.76 1bf9 n ALA 51 Cb 0.59 0.02 0.16 0.00 0.00 0.00 0.00 19.45 20.22 1bf9 n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bf9 n SER 52 N -3.76 4.49 -3.29 0.00 7.64 -1.26 -4.75 113.62 112.69 1bf9 n SER 52 Ca -0.09 -3.67 -0.21 0.00 1.01 0.00 0.00 58.87 55.92 1bf9 n SER 52 Cb 0.33 -0.85 0.02 0.00 -1.01 0.00 0.00 64.21 62.71 1bf9 n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1bf9 n SER 53 N -1.09 -6.23 0.00 6.43 2.88 -1.26 -4.76 113.62 109.58 1bf9 n SER 53 Ca 0.58 0.19 0.09 0.00 -1.33 0.00 0.00 58.87 58.41 1bf9 n SER 53 Cb 1.40 -2.17 0.56 0.00 -0.75 0.00 0.00 64.21 63.26 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 0.38 0.84 -4.54 -1.46 -0.04 -1.26 -4.80 135.00 124.10 1bf9 n PRO 54 Ca -0.03 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.17 1bf9 n PRO 54 Cb 0.56 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.87 0.29 -3.23 0.00 6.02 -1.25 -4.79 117.38 113.55 1bf9 n GLN 56 Ca -0.06 -0.39 -0.23 0.00 -0.01 0.00 0.00 57.00 56.31 1bf9 n GLN 56 Cb 0.66 0.29 0.03 0.00 1.02 0.00 0.00 30.24 32.24 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 -2.61 -5.54 -2.68 1.08 3.02 -1.26 -0.72 115.26 106.55 1bf9 n ASN 57 Ca 0.00 -0.38 -0.21 0.00 -0.03 0.00 0.00 54.58 53.97 1bf9 n ASN 57 Cb 0.07 -4.47 0.01 0.00 -0.61 0.00 0.00 39.78 34.78 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 -1.52 -0.51 3.74 7.41 0.00 -1.26 -4.66 105.19 108.39 1bf9 n GLY 58 Ca -0.07 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.32 2.60 -0.28 -0.02 0.00 0.10 -4.87 107.32 102.53 1bf9 s GLY 59 Ca 0.13 1.02 -0.29 0.00 0.00 0.00 0.00 44.72 45.58 1bf9 s GLY 59 CO 0.16 1.94 1.08 -0.56 0.00 0.00 0.00 173.10 175.72 1bf9 s SER 60 N 0.19 6.98 -0.27 1.64 0.01 -1.23 -4.77 113.70 116.26 1bf9 s SER 60 Ca 0.54 1.20 -0.29 0.00 1.31 0.00 0.00 55.95 58.72 1bf9 s SER 60 Cb -0.34 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.36 1bf9 s SER 60 CO 0.38 -0.81 1.07 0.00 0.41 0.00 0.00 173.24 174.29 1bf9 s LYS 62 N 3.45 3.46 -0.25 0.00 2.20 -0.23 -4.86 119.74 123.50 1bf9 s LYS 62 Ca 0.46 -0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 55.77 1bf9 s LYS 62 Cb -0.14 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 1bf9 s LYS 62 CO 0.11 0.74 0.24 0.16 -0.36 0.00 0.00 175.35 176.24 1bf9 s ASP 63 N -1.31 6.15 0.11 1.43 -4.77 -1.26 -1.44 116.67 115.57 1bf9 s ASP 63 Ca 0.19 0.15 0.02 0.00 -3.30 0.00 0.00 52.55 49.61 1bf9 s ASP 63 Cb -0.12 -2.14 -0.04 0.00 -1.09 0.00 0.00 42.92 39.52 1bf9 s ASP 63 CO 0.09 -0.03 -0.05 -1.10 0.70 0.00 0.00 175.17 174.78 1bf9 s GLN 64 N 1.49 0.88 0.00 2.11 -0.21 0.96 -4.95 119.66 119.94 1bf9 s GLN 64 Ca 0.10 -1.37 0.00 0.00 0.02 0.00 0.00 55.36 54.11 1bf9 s GLN 64 Cb -0.15 -0.18 0.00 0.00 1.00 0.00 0.00 33.01 33.68 1bf9 s GLN 64 CO 0.08 -0.05 0.18 -0.11 -2.12 0.00 0.00 175.29 173.27 1bf9 n LEU 65 N -0.08 0.00 -0.53 2.90 7.94 -1.26 -1.88 117.00 124.09 1bf9 n LEU 65 Ca -0.11 0.18 0.41 0.00 -1.11 0.00 0.00 56.01 55.38 1bf9 n LEU 65 Cb 0.61 0.00 0.63 0.00 0.53 0.00 0.00 43.42 45.19 1bf9 n LEU 65 CO 0.31 0.00 1.18 0.00 -1.11 0.00 0.00 177.39 177.76 1bf9 n GLN 66 N -0.27 0.00 -2.08 1.96 10.64 -1.26 -4.75 117.38 121.61 1bf9 n GLN 66 Ca 0.00 0.87 0.00 0.00 -1.83 0.00 0.00 57.00 56.04 1bf9 n GLN 66 Cb 0.00 -2.02 0.00 0.00 -0.86 0.00 0.00 30.24 27.36 1bf9 n GLN 66 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1bf9 n SER 67 N -3.46 0.00 -4.34 2.61 7.64 -0.79 -5.15 113.62 110.12 1bf9 n SER 67 Ca 0.34 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.93 1bf9 n SER 67 Cb 1.59 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 64.65 1bf9 n SER 67 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1bf9 s TYR 68 N -3.41 2.22 -0.14 1.43 -0.85 -1.26 -0.03 117.35 115.31 1bf9 s TYR 68 Ca 0.00 -0.40 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 1bf9 s TYR 68 Cb 0.00 -1.28 0.02 0.00 0.38 0.00 0.00 41.96 41.08 1bf9 s TYR 68 CO 0.00 0.20 -0.18 -1.50 -1.52 0.00 0.00 175.55 172.55 1bf9 s ILE 69 N -0.92 1.78 -0.22 -3.49 2.07 -0.52 -4.88 121.20 115.01 1bf9 s ILE 69 Ca 0.12 -0.79 -0.17 0.00 -1.41 0.00 0.00 60.65 58.39 1bf9 s ILE 69 Cb -0.10 -1.61 -0.03 0.00 0.13 0.00 0.00 42.46 40.85 1bf9 s ILE 69 CO 0.04 0.49 0.45 0.00 -1.91 0.00 0.00 174.94 174.01 1bf9 n PHE 71 N 4.87 4.53 0.00 0.00 3.01 -0.31 -4.76 117.46 124.79 1bf9 n PHE 71 Ca -0.06 -3.12 0.00 0.00 1.01 0.00 0.00 57.45 55.27 1bf9 n PHE 71 Cb 0.51 -2.30 0.00 0.00 -0.01 0.00 0.00 39.48 37.67 1bf9 n PHE 71 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1bf9 n LEU 73 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.83 117.00 115.68 1bf9 n LEU 73 Ca 0.00 -2.62 0.02 0.00 -0.03 0.00 0.00 56.01 53.38 1bf9 n LEU 73 Cb 0.00 -0.06 0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1bf9 n LEU 73 CO 0.00 -0.57 0.56 -2.65 -1.33 0.00 0.00 177.39 173.40 1bf9 n PRO 74 N -1.72 0.01 0.04 3.23 -0.02 -1.26 -1.82 135.00 133.47 1bf9 n PRO 74 Ca -0.01 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.74 1bf9 n PRO 74 Cb 0.58 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.42 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 2.17 0.41 -1.38 3.55 0.00 -1.96 -3.47 119.26 118.57 1bf9 h ALA 75 Ca 0.00 -1.13 -0.61 0.00 0.00 0.00 0.00 54.91 53.18 1bf9 h ALA 75 Cb 0.07 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 17.95 1bf9 h ALA 75 CO 0.00 1.27 -0.52 -0.06 0.00 0.00 0.00 179.25 179.94 1bf9 s PHE 76 N -2.64 2.41 -0.49 0.00 0.40 -0.75 -0.74 117.98 116.17 1bf9 s PHE 76 Ca -0.05 -0.68 0.06 0.00 -0.60 0.00 0.00 56.93 55.65 1bf9 s PHE 76 Cb 0.08 -1.84 0.24 0.00 0.51 0.00 0.00 43.02 42.01 1bf9 s PHE 76 CO 0.84 0.25 0.90 -1.91 0.70 0.00 0.00 175.22 176.00 1bf9 n GLU 77 N -1.18 0.78 -3.68 0.44 0.00 -1.21 -4.48 120.64 111.32 1bf9 n GLU 77 Ca -0.05 -1.72 -0.10 0.00 0.00 0.00 0.00 57.16 55.29 1bf9 n GLU 77 Cb 0.66 -1.43 -0.03 0.00 0.00 0.00 0.00 31.44 30.63 1bf9 n GLU 77 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1bf9 s GLY 78 N -1.66 -0.23 0.58 8.31 0.00 -1.26 -4.64 107.32 108.42 1bf9 s GLY 78 Ca 0.32 -0.05 0.29 0.00 0.00 0.00 0.00 44.72 45.27 1bf9 s GLY 78 CO -0.24 -0.12 1.90 -0.09 0.00 0.00 0.00 173.10 174.55 1bf9 h ARG 79 N 2.11 0.00 0.00 2.90 2.43 -1.97 -2.03 114.38 117.82 1bf9 h ARG 79 Ca -0.28 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.77 1bf9 h ARG 79 Cb 1.27 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 30.57 1bf9 h ARG 79 CO 0.35 0.00 -0.82 0.09 -1.51 0.00 0.00 179.97 178.08 1bf9 n ASN 80 N -3.78 1.01 -0.27 -3.80 4.13 -1.26 -3.26 115.26 108.03 1bf9 n ASN 80 Ca 0.09 -2.36 -0.04 0.00 1.68 0.00 0.00 54.58 53.96 1bf9 n ASN 80 Cb 0.69 -0.33 -0.02 0.00 -1.54 0.00 0.00 39.78 38.59 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bf9 n GLU 82 N 0.12 0.01 -2.63 0.00 2.13 -1.26 -3.22 120.64 115.79 1bf9 n GLU 82 Ca -0.04 0.35 -0.37 0.00 0.66 0.00 0.00 57.16 57.76 1bf9 n GLU 82 Cb 0.49 -1.53 0.01 0.00 0.27 0.00 0.00 31.44 30.68 1bf9 n GLU 82 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1bf9 n THR 83 N -1.56 5.07 -1.34 6.31 -1.04 -1.26 -5.01 114.28 115.45 1bf9 n THR 83 Ca 0.02 -5.70 -0.56 0.00 -2.04 0.00 0.00 64.05 55.77 1bf9 n THR 83 Cb 0.11 -1.48 -0.10 0.00 -1.82 0.00 0.00 70.33 67.05 1bf9 n THR 83 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1bf9 n HIS 84 N -0.16 1.37 0.00 -1.42 -0.00 -1.20 -3.36 115.22 110.45 1bf9 n HIS 84 Ca 0.44 0.57 0.00 0.00 -0.00 0.00 0.00 57.72 58.73 1bf9 n HIS 84 Cb 0.30 -2.39 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97