#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 0.00 -3.46 2.03 -1.26 -5.07 116.55 108.79 1bf9 n ASP 46 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1bf9 n ASP 46 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bf9 n GLY 47 N 0.00 -0.21 3.34 0.27 0.00 -1.26 -4.96 105.19 102.37 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 1.34 0.00 0.00 0.00 173.32 174.66 1bf9 n ASP 48 N -1.47 -0.40 -0.33 1.61 -0.08 -1.26 -4.84 116.55 109.78 1bf9 n ASP 48 Ca 0.00 0.00 0.24 0.00 -1.51 0.00 0.00 54.79 53.52 1bf9 n ASP 48 Cb 0.00 -1.14 0.47 0.00 2.34 0.00 0.00 41.12 42.79 1bf9 n ASP 48 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1bf9 h GLN 49 N 1.60 0.14 -1.80 -0.67 4.20 -1.93 0.67 115.11 117.31 1bf9 h GLN 49 Ca 0.00 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1bf9 h GLN 49 Cb 0.04 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 1bf9 h GLN 49 CO 0.00 0.09 0.17 0.00 -0.67 0.00 0.00 178.83 178.42 1bf9 n ALA 51 N 1.04 0.99 1.94 0.00 0.00 0.23 -4.43 120.51 120.28 1bf9 n ALA 51 Ca 0.14 -0.91 0.14 0.00 0.00 0.00 0.00 53.44 52.81 1bf9 n ALA 51 Cb 0.54 0.07 0.79 0.00 0.00 0.00 0.00 19.45 20.85 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 -4.39 0.17 -2.44 0.00 3.41 -1.26 -4.94 113.62 104.18 1bf9 n SER 52 Ca -0.27 -1.17 -0.05 0.00 -0.26 0.00 0.00 58.87 57.11 1bf9 n SER 52 Cb 0.63 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.81 -6.15 0.41 4.04 2.88 -1.26 -4.94 113.62 107.79 1bf9 n SER 53 Ca 0.21 0.39 -0.19 0.00 -1.33 0.00 0.00 58.87 57.95 1bf9 n SER 53 Cb 0.12 -4.06 -0.09 0.00 -0.75 0.00 0.00 64.21 59.43 1bf9 n SER 53 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1bf9 h PRO 54 N 1.41 -1.08 -6.73 -1.46 0.13 -1.92 -3.43 132.00 118.93 1bf9 h PRO 54 Ca 0.00 0.07 -0.57 0.00 -0.87 0.00 0.00 66.00 64.64 1bf9 h PRO 54 Cb 0.68 0.24 0.18 0.00 0.13 0.00 0.00 31.00 32.23 1bf9 h PRO 54 CO 0.14 -0.72 -0.18 0.00 -0.23 0.00 0.00 178.00 177.01 1bf9 n GLN 56 N -0.90 0.35 -3.71 0.00 6.02 -1.13 -4.67 117.38 113.35 1bf9 n GLN 56 Ca 0.12 -2.49 -0.26 0.00 -0.01 0.00 0.00 57.00 54.36 1bf9 n GLN 56 Cb 0.49 1.94 0.06 0.00 1.02 0.00 0.00 30.24 33.75 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 -1.97 -5.48 -0.06 1.08 3.02 -1.26 -0.87 115.26 109.72 1bf9 n ASN 57 Ca 0.04 -0.64 -0.01 0.00 -0.03 0.00 0.00 54.58 53.95 1bf9 n ASN 57 Cb 0.45 -4.59 -0.00 0.00 -0.61 0.00 0.00 39.78 35.02 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 -1.85 0.48 3.83 7.41 0.00 -1.26 -4.82 105.19 108.98 1bf9 n GLY 58 Ca -0.00 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.43 2.55 0.65 -0.02 0.00 -0.05 -4.82 107.32 103.19 1bf9 s GLY 59 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 44.72 44.68 1bf9 s GLY 59 CO 0.00 0.31 0.91 -0.45 0.00 0.00 0.00 173.10 173.88 1bf9 s SER 60 N -1.57 4.86 -0.05 1.64 0.15 -0.99 -4.12 113.70 113.61 1bf9 s SER 60 Ca 0.37 0.05 0.05 0.00 0.70 0.00 0.00 55.95 57.13 1bf9 s SER 60 Cb -0.16 -0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 63.42 1bf9 s SER 60 CO 0.20 -1.49 -0.21 0.00 1.20 0.00 0.00 173.24 172.93 1bf9 s LYS 62 N -0.03 3.30 -0.28 0.00 2.20 0.24 -4.93 119.74 120.23 1bf9 s LYS 62 Ca -0.05 -0.28 -0.01 0.00 -0.36 0.00 0.00 55.97 55.27 1bf9 s LYS 62 Cb -0.13 -3.04 0.05 0.00 -1.51 0.00 0.00 37.83 33.19 1bf9 s LYS 62 CO 0.03 0.72 -0.04 0.34 -0.36 0.00 0.00 175.35 176.05 1bf9 s ASP 63 N -1.33 4.70 0.56 1.43 -1.08 -1.26 -1.81 116.67 117.88 1bf9 s ASP 63 Ca 0.19 -1.24 0.07 0.00 -0.52 0.00 0.00 52.55 51.05 1bf9 s ASP 63 Cb -0.12 -1.67 0.07 0.00 -1.46 0.00 0.00 42.92 39.74 1bf9 s ASP 63 CO 0.09 -0.22 0.58 0.00 0.52 0.00 0.00 175.17 176.13 1bf9 n GLN 64 N 4.59 0.65 0.12 4.34 6.02 -0.29 -4.99 117.38 127.81 1bf9 n GLN 64 Ca -0.14 -3.27 0.12 0.00 -0.01 0.00 0.00 57.00 53.70 1bf9 n GLN 64 Cb 0.44 0.10 0.20 0.00 1.02 0.00 0.00 30.24 32.00 1bf9 n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1bf9 h LEU 65 N 0.00 0.00 0.00 1.08 3.38 -2.03 -3.34 115.31 114.40 1bf9 h LEU 65 Ca -0.31 -0.07 -0.36 0.00 0.09 0.00 0.00 57.88 57.22 1bf9 h LEU 65 Cb 1.25 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 1bf9 h LEU 65 CO 0.47 0.03 -2.38 0.00 0.09 0.00 0.00 178.44 176.66 1bf9 n GLN 66 N -2.48 0.73 0.00 1.13 6.02 -1.26 -5.08 117.38 116.44 1bf9 n GLN 66 Ca 0.03 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1bf9 n GLN 66 Cb 0.48 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.24 1bf9 n GLN 66 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1bf9 n SER 67 N -2.96 0.77 -3.53 1.08 7.64 -1.25 -5.18 113.62 110.19 1bf9 n SER 67 Ca -0.37 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.33 1bf9 n SER 67 Cb 1.06 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.20 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 1.05 -0.63 -0.05 1.43 -0.85 -1.26 -1.14 117.35 115.91 1bf9 s TYR 68 Ca 0.00 1.07 -0.01 0.00 -0.52 0.00 0.00 57.07 57.61 1bf9 s TYR 68 Cb 0.00 0.42 0.03 0.00 0.38 0.00 0.00 41.96 42.78 1bf9 s TYR 68 CO 0.00 -0.58 0.01 0.42 -1.52 0.00 0.00 175.55 173.88 1bf9 s ILE 69 N -1.19 0.20 0.87 -3.49 1.01 -0.75 -4.92 121.20 112.91 1bf9 s ILE 69 Ca -0.10 0.17 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 1bf9 s ILE 69 Cb -0.00 -0.35 0.12 0.00 0.01 0.00 0.00 42.46 42.24 1bf9 s ILE 69 CO 0.09 0.20 1.21 0.00 0.00 0.00 0.00 174.94 176.43 1bf9 s PHE 71 N -3.60 -0.45 0.00 0.00 0.40 -0.48 -4.82 117.98 109.03 1bf9 s PHE 71 Ca 0.65 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.65 1bf9 s PHE 71 Cb -0.10 -0.43 0.00 0.00 0.51 0.00 0.00 43.02 43.00 1bf9 s PHE 71 CO 0.51 -0.94 0.00 0.00 0.70 0.00 0.00 175.22 175.49 1bf9 n LEU 73 N 0.00 0.00 0.01 0.00 4.77 -1.26 -4.85 117.00 115.68 1bf9 n LEU 73 Ca 0.00 -1.68 0.03 0.00 -0.03 0.00 0.00 56.01 54.33 1bf9 n LEU 73 Cb 0.00 0.20 0.12 0.00 -2.33 0.00 0.00 43.42 41.41 1bf9 n LEU 73 CO 0.00 -0.24 0.58 -2.65 -1.33 0.00 0.00 177.39 173.76 1bf9 n PRO 74 N -0.66 0.01 0.02 3.23 -0.02 -1.26 -1.75 135.00 134.57 1bf9 n PRO 74 Ca -0.11 0.45 -0.13 0.00 -2.02 0.00 0.00 63.50 61.69 1bf9 n PRO 74 Cb 0.34 -1.54 -0.14 0.00 -0.02 0.00 0.00 33.50 32.14 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 2.12 0.49 -0.46 3.55 0.00 -1.98 -3.48 119.26 119.51 1bf9 h ALA 75 Ca 0.00 -1.25 -0.64 0.00 0.00 0.00 0.00 54.91 53.02 1bf9 h ALA 75 Cb 0.07 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1bf9 h ALA 75 CO 0.00 1.34 -0.44 -0.06 0.00 0.00 0.00 179.25 180.09 1bf9 s PHE 76 N -2.62 1.80 -0.35 0.00 0.40 -0.72 -1.90 117.98 114.59 1bf9 s PHE 76 Ca -0.08 -0.91 -0.04 0.00 -0.60 0.00 0.00 56.93 55.30 1bf9 s PHE 76 Cb 0.08 -1.73 0.19 0.00 0.51 0.00 0.00 43.02 42.07 1bf9 s PHE 76 CO 0.83 -0.02 0.93 -2.00 0.70 0.00 0.00 175.22 175.66 1bf9 s GLU 77 N -4.02 0.36 0.10 0.44 2.56 -1.22 -4.39 118.70 112.53 1bf9 s GLU 77 Ca 0.16 -0.13 -0.27 0.00 0.00 0.00 0.00 54.97 54.74 1bf9 s GLU 77 Cb 0.00 0.04 0.08 0.00 2.00 0.00 0.00 34.13 36.26 1bf9 s GLU 77 CO 0.10 -0.52 1.08 0.20 -0.56 0.00 0.00 175.26 175.56 1bf9 s GLY 78 N 1.89 -0.26 0.35 -1.50 0.00 -1.26 -4.39 107.32 102.15 1bf9 s GLY 78 Ca 0.15 0.27 0.19 0.00 0.00 0.00 0.00 44.72 45.34 1bf9 s GLY 78 CO -0.12 0.34 1.55 3.21 0.00 0.00 0.00 173.10 178.08 1bf9 h ARG 79 N 2.00 0.00 0.00 2.90 3.08 -1.99 -2.82 114.38 117.55 1bf9 h ARG 79 Ca -0.26 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.65 1bf9 h ARG 79 Cb 1.22 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.07 1bf9 h ARG 79 CO 0.27 0.00 -0.49 0.09 -1.07 0.00 0.00 179.97 178.77 1bf9 n ASN 80 N -2.24 -0.38 0.00 7.04 3.02 -1.26 -3.79 115.26 117.65 1bf9 n ASN 80 Ca -0.01 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1bf9 n ASN 80 Cb 0.17 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bf9 n GLU 82 N -0.45 0.02 -2.60 0.00 2.13 -1.26 -3.09 120.64 115.38 1bf9 n GLU 82 Ca 0.00 0.34 -0.36 0.00 0.66 0.00 0.00 57.16 57.80 1bf9 n GLU 82 Cb 0.30 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.52 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 -1.47 4.70 -1.70 6.31 -1.04 -1.26 -5.03 114.28 114.79 1bf9 n THR 83 Ca 0.02 -5.56 -0.55 0.00 -2.04 0.00 0.00 64.05 55.92 1bf9 n THR 83 Cb 0.09 -1.44 -0.07 0.00 -1.82 0.00 0.00 70.33 67.09 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 -0.21 2.09 0.66 -1.42 -0.00 -1.18 -3.37 115.22 111.79 1bf9 n HIS 84 Ca 0.43 0.43 0.05 0.00 -0.00 0.00 0.00 57.72 58.63 1bf9 n HIS 84 Cb 0.32 -2.50 0.31 0.00 -0.00 0.00 0.00 29.99 28.12 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97