#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 5.75 -1.26 -4.35 116.55 113.23 1bf9 n ASP 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1bf9 n ASP 46 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bf9 n GLY 47 N 0.00 0.13 0.00 6.12 0.00 -1.26 -4.95 105.19 105.23 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 0.00 0.00 0.00 1.61 2.03 -1.26 -5.07 116.55 113.86 1bf9 n ASP 48 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1bf9 n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1bf9 n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bf9 n GLN 49 N 0.00 0.00 -2.47 -0.67 3.00 -1.26 -4.06 117.38 111.92 1bf9 n GLN 49 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1bf9 n GLN 49 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 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 9.66 4.41 -1.88 0.00 0.00 -1.26 -4.46 120.51 126.97 1bf9 n ALA 51 Ca 0.44 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1bf9 n ALA 51 Cb 0.47 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1bf9 n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bf9 n SER 52 N -1.63 0.00 -2.31 0.00 2.88 -1.26 -5.05 113.62 106.25 1bf9 n SER 52 Ca 0.03 -1.72 -0.03 0.00 -1.33 0.00 0.00 58.87 55.81 1bf9 n SER 52 Cb 0.37 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1bf9 n SER 52 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1bf9 n SER 53 N 0.00 -5.32 0.00 -3.46 7.64 -1.26 -4.88 113.62 106.33 1bf9 n SER 53 Ca 0.00 0.17 0.11 0.00 1.01 0.00 0.00 58.87 60.16 1bf9 n SER 53 Cb 0.64 -3.46 0.63 0.00 -1.01 0.00 0.00 64.21 61.02 1bf9 n SER 53 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1bf9 n PRO 54 N -0.80 0.58 -2.15 1.43 -0.04 -1.26 -4.80 135.00 127.97 1bf9 n PRO 54 Ca 0.04 0.03 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 1bf9 n PRO 54 Cb 0.35 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.37 1bf9 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bf9 s GLN 56 N -5.24 1.48 -1.44 0.00 -0.21 -1.10 -4.78 119.66 108.37 1bf9 s GLN 56 Ca 0.58 -1.83 -0.11 0.00 0.02 0.00 0.00 55.36 54.02 1bf9 s GLN 56 Cb -0.11 0.04 0.05 0.00 1.00 0.00 0.00 33.01 33.99 1bf9 s GLN 56 CO 0.47 -0.44 1.06 0.09 -2.12 0.00 0.00 175.29 174.35 1bf9 n ASN 57 N -0.77 -5.24 -1.80 5.90 3.02 -1.26 -0.85 115.26 114.27 1bf9 n ASN 57 Ca 0.02 -0.68 -0.18 0.00 -0.03 0.00 0.00 54.58 53.71 1bf9 n ASN 57 Cb 0.65 -4.41 -0.03 0.00 -0.61 0.00 0.00 39.78 35.38 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 -1.81 0.42 3.79 7.41 0.00 -1.26 -4.76 105.19 108.99 1bf9 n GLY 58 Ca 0.00 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.42 2.79 0.81 -0.02 0.00 -0.03 -4.83 107.32 103.63 1bf9 s GLY 59 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.84 1bf9 s GLY 59 CO 0.00 0.68 1.15 -0.45 0.00 0.00 0.00 173.10 174.48 1bf9 s SER 60 N -1.23 4.30 -0.09 1.64 0.15 -1.20 -4.37 113.70 112.91 1bf9 s SER 60 Ca 0.35 0.54 0.05 0.00 0.70 0.00 0.00 55.95 57.58 1bf9 s SER 60 Cb -0.21 -0.98 -0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1bf9 s SER 60 CO 0.23 -1.99 -0.24 0.00 1.20 0.00 0.00 173.24 172.45 1bf9 s LYS 62 N 0.20 3.24 -0.20 0.00 2.20 0.21 -4.90 119.74 120.48 1bf9 s LYS 62 Ca -0.14 -0.29 -0.06 0.00 -0.36 0.00 0.00 55.97 55.12 1bf9 s LYS 62 Cb -0.17 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 1bf9 s LYS 62 CO 0.07 0.72 0.02 0.34 -0.36 0.00 0.00 175.35 176.14 1bf9 s ASP 63 N -1.21 5.04 0.05 1.43 2.15 -1.26 -1.71 116.67 121.15 1bf9 s ASP 63 Ca 0.17 -0.13 -0.06 0.00 0.43 0.00 0.00 52.55 52.96 1bf9 s ASP 63 Cb -0.12 -1.86 -0.01 0.00 -0.30 0.00 0.00 42.92 40.63 1bf9 s ASP 63 CO 0.07 0.09 0.10 -1.10 -0.17 0.00 0.00 175.17 174.16 1bf9 s GLN 64 N 0.87 0.67 0.00 4.34 -0.21 0.58 -4.98 119.66 120.93 1bf9 s GLN 64 Ca 0.02 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 54.50 1bf9 s GLN 64 Cb -0.14 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.13 1bf9 s GLN 64 CO 0.02 -0.18 0.52 -0.11 -2.12 0.00 0.00 175.29 173.42 1bf9 n LEU 65 N 0.40 0.00 -0.45 2.90 7.94 -1.26 -1.62 117.00 124.91 1bf9 n LEU 65 Ca -0.17 0.52 0.37 0.00 -1.11 0.00 0.00 56.01 55.62 1bf9 n LEU 65 Cb 0.60 -0.02 0.60 0.00 0.53 0.00 0.00 43.42 45.13 1bf9 n LEU 65 CO 0.24 -0.02 1.08 0.00 -1.11 0.00 0.00 177.39 177.58 1bf9 n GLN 66 N -0.84 -0.02 -1.39 1.96 10.64 -1.26 -4.65 117.38 121.82 1bf9 n GLN 66 Ca 0.00 0.99 0.00 0.00 -1.83 0.00 0.00 57.00 56.16 1bf9 n GLN 66 Cb 0.00 -2.05 0.00 0.00 -0.86 0.00 0.00 30.24 27.33 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 -4.12 0.00 -4.09 2.61 7.64 -0.64 -4.72 113.62 110.31 1bf9 n SER 67 Ca 0.34 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 60.06 1bf9 n SER 67 Cb 1.41 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 64.49 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 -3.60 0.89 -0.04 1.43 1.13 -1.26 -0.31 117.35 115.59 1bf9 s TYR 68 Ca 0.00 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.28 1bf9 s TYR 68 Cb 0.00 -0.53 0.03 0.00 -1.10 0.00 0.00 41.96 40.36 1bf9 s TYR 68 CO 0.00 -0.01 -0.01 0.42 -2.51 0.00 0.00 175.55 173.44 1bf9 s ILE 69 N -0.98 0.31 0.47 -3.49 1.01 -0.70 -4.90 121.20 112.92 1bf9 s ILE 69 Ca -0.03 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.48 1bf9 s ILE 69 Cb -0.08 -0.41 -0.10 0.00 0.01 0.00 0.00 42.46 41.89 1bf9 s ILE 69 CO 0.01 0.20 0.97 0.00 0.00 0.00 0.00 174.94 176.11 1bf9 s PHE 71 N -2.37 3.72 0.00 0.00 0.08 -0.10 -4.81 117.98 114.50 1bf9 s PHE 71 Ca 0.61 -2.91 0.00 0.00 0.12 0.00 0.00 56.93 54.75 1bf9 s PHE 71 Cb -0.10 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.12 1bf9 s PHE 71 CO 0.21 -0.77 0.00 0.00 -0.10 0.00 0.00 175.22 174.56 1bf9 n LEU 73 N 0.00 0.00 0.04 0.00 4.77 -1.26 -4.80 117.00 115.75 1bf9 n LEU 73 Ca 0.00 -2.17 0.04 0.00 -0.03 0.00 0.00 56.01 53.85 1bf9 n LEU 73 Cb 0.00 0.13 0.20 0.00 -2.33 0.00 0.00 43.42 41.42 1bf9 n LEU 73 CO 0.00 -0.40 0.63 -2.65 -1.33 0.00 0.00 177.39 173.64 1bf9 n PRO 74 N -1.13 0.04 0.05 3.23 -0.02 -1.26 -1.42 135.00 134.49 1bf9 n PRO 74 Ca -0.09 0.47 -0.04 0.00 -2.02 0.00 0.00 63.50 61.82 1bf9 n PRO 74 Cb 0.45 -1.61 -0.09 0.00 -0.02 0.00 0.00 33.50 32.23 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 2.11 0.59 -0.41 3.55 0.00 -1.97 -3.48 119.26 119.66 1bf9 h ALA 75 Ca 0.00 -0.95 -0.67 0.00 0.00 0.00 0.00 54.91 53.28 1bf9 h ALA 75 Cb 0.07 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 17.86 1bf9 h ALA 75 CO 0.00 1.14 -0.51 -0.06 0.00 0.00 0.00 179.25 179.83 1bf9 s PHE 76 N -2.78 1.87 0.00 0.00 0.40 -0.51 -0.65 117.98 116.32 1bf9 s PHE 76 Ca -0.01 -0.94 0.00 0.00 -0.60 0.00 0.00 56.93 55.38 1bf9 s PHE 76 Cb 0.09 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.98 1bf9 s PHE 76 CO 0.80 0.20 0.00 -1.91 0.70 0.00 0.00 175.22 175.01 1bf9 n GLU 77 N -1.28 0.00 -0.93 0.44 4.07 -1.09 -4.48 120.64 117.36 1bf9 n GLU 77 Ca -0.18 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.57 1bf9 n GLU 77 Cb 0.67 -0.23 0.07 0.00 -0.06 0.00 0.00 31.44 31.88 1bf9 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bf9 n GLY 78 N 0.47 -3.70 0.29 8.31 0.00 -1.26 -4.72 105.19 104.57 1bf9 n GLY 78 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 1bf9 n GLY 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1bf9 h ARG 79 N -1.20 0.92 -0.67 1.61 9.65 -1.99 -1.71 114.38 120.99 1bf9 h ARG 79 Ca -0.44 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.30 1bf9 h ARG 79 Cb 1.31 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 29.63 1bf9 h ARG 79 CO 0.27 0.61 0.10 0.09 2.80 0.00 0.00 179.97 183.84 1bf9 n ASN 80 N -4.61 5.21 0.00 -3.80 4.13 -1.26 -3.80 115.26 111.14 1bf9 n ASN 80 Ca 0.08 -2.99 0.00 0.00 1.68 0.00 0.00 54.58 53.35 1bf9 n ASN 80 Cb 0.06 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bf9 h GLU 82 N 0.33 0.00 -4.17 0.00 4.81 -1.90 -3.33 114.58 110.32 1bf9 h GLU 82 Ca 0.00 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.47 1bf9 h GLU 82 Cb 0.66 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 29.81 1bf9 h GLU 82 CO 0.00 0.00 0.74 0.99 -0.73 0.00 0.00 179.01 180.01 1bf9 s THR 83 N -3.87 5.48 -0.51 0.32 2.01 -1.26 -4.95 115.64 112.86 1bf9 s THR 83 Ca -0.02 -2.80 -0.27 0.00 0.31 0.00 0.00 61.69 58.90 1bf9 s THR 83 Cb 0.11 -4.71 -0.03 0.00 0.01 0.00 0.00 72.50 67.88 1bf9 s THR 83 CO 0.41 -1.35 1.96 -2.28 -0.69 0.00 0.00 174.62 172.68 1bf9 s HIS 84 N 0.36 1.57 -0.62 4.92 5.04 -1.25 -2.67 115.29 122.64 1bf9 s HIS 84 Ca 0.33 0.89 0.00 0.00 -1.54 0.00 0.00 55.06 54.74 1bf9 s HIS 84 Cb -0.07 -4.00 0.00 0.00 0.04 0.00 0.00 32.58 28.55 1bf9 s HIS 84 CO -0.06 -2.55 0.16 1.63 -2.34 0.00 0.00 174.74 171.58