#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfy s LYS 2 N 0.00 4.30 1.03 2.12 1.02 -1.26 -4.65 119.74 122.31 1bfy s LYS 2 Ca 0.00 2.29 -0.16 0.00 0.02 0.00 0.00 55.97 58.13 1bfy s LYS 2 Cb 0.00 -3.06 0.21 0.00 -0.52 0.00 0.00 37.83 34.46 1bfy s LYS 2 CO 0.00 -0.28 1.17 0.15 -0.92 0.00 0.00 175.35 175.46 1bfy s LYS 3 N -1.64 0.13 -0.07 1.68 1.02 -1.23 -4.56 119.74 115.05 1bfy s LYS 3 Ca 0.51 0.02 -0.04 0.00 0.02 0.00 0.00 55.97 56.48 1bfy s LYS 3 Cb -0.41 -1.75 0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1bfy s LYS 3 CO 0.53 -2.83 0.17 0.71 -0.92 0.00 0.00 175.35 173.01 1bfy s TYR 4 N -3.30 -0.20 0.31 3.18 1.51 -0.37 -0.31 117.35 118.16 1bfy s TYR 4 Ca 0.69 0.55 -0.27 0.00 -1.01 0.00 0.00 57.07 57.03 1bfy s TYR 4 Cb -0.11 -0.04 -0.10 0.00 -0.11 0.00 0.00 41.96 41.61 1bfy s TYR 4 CO 0.55 -0.17 0.95 0.99 -1.11 0.00 0.00 175.55 176.75 1bfy s THR 5 N 1.09 4.17 0.70 -0.71 2.01 0.18 -0.41 115.64 122.68 1bfy s THR 5 Ca -0.08 1.85 -0.12 0.00 0.31 0.00 0.00 61.69 63.65 1bfy s THR 5 Cb -0.10 -4.05 0.17 0.00 0.01 0.00 0.00 72.50 68.53 1bfy s THR 5 CO -0.06 0.19 0.64 0.00 -0.69 0.00 0.00 174.62 174.71 1bfy n THR 7 N -3.82 0.00 0.00 0.00 -1.04 -1.26 -4.65 114.28 103.51 1bfy n THR 7 Ca 0.09 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.01 1bfy n THR 7 Cb 0.34 -0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.71 1bfy n THR 7 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1bfy h VAL 8 N 0.00 1.07 -0.98 12.58 3.04 -1.99 -3.37 116.25 126.60 1bfy h VAL 8 Ca 0.00 -2.87 0.14 0.00 -1.01 0.00 0.00 66.70 62.95 1bfy h VAL 8 Cb 0.00 2.55 -0.15 0.00 -2.01 0.00 0.00 31.29 31.68 1bfy h VAL 8 CO 0.00 0.64 -0.43 0.00 -1.01 0.00 0.00 177.57 176.77 1bfy n GLY 10 N -1.41 1.77 3.70 0.00 0.00 -1.26 -5.08 105.19 102.91 1bfy n GLY 10 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1bfy n GLY 10 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bfy s TYR 11 N -2.48 1.84 -0.12 1.61 2.02 -1.26 -4.73 117.35 114.23 1bfy s TYR 11 Ca 0.00 1.73 0.02 0.00 -0.37 0.00 0.00 57.07 58.45 1bfy s TYR 11 Cb 0.00 -3.31 0.01 0.00 -0.40 0.00 0.00 41.96 38.27 1bfy s TYR 11 CO 0.00 -2.60 -0.17 0.42 -1.57 0.00 0.00 175.55 171.62 1bfy s ILE 12 N -2.62 1.70 0.14 2.71 1.01 -1.26 -0.39 121.20 122.48 1bfy s ILE 12 Ca 0.67 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 1bfy s ILE 12 Cb -0.22 -1.53 -0.07 0.00 0.01 0.00 0.00 42.46 40.65 1bfy s ILE 12 CO 0.56 0.48 1.01 -0.47 0.00 0.00 0.00 174.94 176.52 1bfy s TYR 13 N 0.96 3.74 -0.22 3.97 5.04 0.45 -4.92 117.35 126.38 1bfy s TYR 13 Ca -0.06 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1bfy s TYR 13 Cb -0.15 -3.13 0.03 0.00 0.35 0.00 0.00 41.96 39.05 1bfy s TYR 13 CO -0.02 -0.09 -0.13 1.21 -1.34 0.00 0.00 175.55 175.17 1bfy s ASN 14 N -0.11 3.81 0.16 4.32 2.47 -1.26 -1.24 114.94 123.07 1bfy s ASN 14 Ca 0.48 -0.83 -0.13 0.00 0.42 0.00 0.00 52.86 52.80 1bfy s ASN 14 Cb -0.26 -1.57 0.04 0.00 -1.45 0.00 0.00 41.25 38.01 1bfy s ASN 14 CO 0.32 -0.07 1.65 1.55 -3.72 0.00 0.00 177.10 176.83 1bfy h PRO 15 N 7.94 0.85 0.00 0.43 0.13 -1.80 0.38 132.00 139.92 1bfy h PRO 15 Ca -0.37 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.53 1bfy h PRO 15 Cb 1.11 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1bfy h PRO 15 CO 0.58 0.82 -0.09 0.93 -0.23 0.00 0.00 178.00 180.02 1bfy h GLU 16 N 0.74 0.00 0.02 0.86 5.08 -1.87 0.48 114.58 119.89 1bfy h GLU 16 Ca 0.16 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.22 1bfy h GLU 16 Cb 0.36 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1bfy h GLU 16 CO 0.01 0.09 -1.78 -0.25 -1.00 0.00 0.00 179.01 176.07 1bfy n ASP 17 N -4.24 1.04 -0.18 1.42 8.00 -1.09 -3.76 116.55 117.75 1bfy n ASP 17 Ca -0.03 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1bfy n ASP 17 Cb 0.17 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1bfy n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bfy n GLY 18 N 1.63 0.24 2.25 0.44 0.00 0.13 -3.78 105.19 106.10 1bfy n GLY 18 Ca -0.20 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 1bfy n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bfy n ASP 19 N -2.52 1.06 0.05 1.61 8.00 0.10 -4.58 116.55 120.26 1bfy n ASP 19 Ca 0.00 -3.01 0.03 0.00 0.71 0.00 0.00 54.79 52.52 1bfy n ASP 19 Cb 0.00 -0.62 0.40 0.00 -0.02 0.00 0.00 41.12 40.88 1bfy n ASP 19 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1bfy h PRO 20 N 3.23 0.41 -0.29 -0.24 0.13 -1.22 0.61 132.00 134.63 1bfy h PRO 20 Ca 0.10 -0.06 0.08 0.00 -0.87 0.00 0.00 66.00 65.26 1bfy h PRO 20 Cb 0.91 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1bfy h PRO 20 CO 0.53 0.38 0.22 -0.44 -0.23 0.00 0.00 178.00 178.46 1bfy h ASP 21 N 0.41 0.00 0.00 1.44 5.19 -1.95 -2.18 116.42 119.33 1bfy h ASP 21 Ca 0.10 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.30 1bfy h ASP 21 Cb 0.15 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 1bfy h ASP 21 CO -0.00 0.00 -2.12 0.59 -3.12 0.00 0.00 179.24 174.59 1bfy n ASN 22 N -4.29 0.53 0.00 6.45 3.02 -0.26 -5.00 115.26 115.71 1bfy n ASN 22 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1bfy n ASN 22 Cb 0.38 1.28 0.00 0.00 -0.61 0.00 0.00 39.78 40.84 1bfy n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bfy n GLY 23 N 1.71 -0.63 3.31 7.41 0.00 0.02 -5.02 105.19 112.00 1bfy n GLY 23 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1bfy n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bfy s VAL 24 N -0.32 4.09 0.75 1.61 1.01 -0.16 -4.88 120.40 122.49 1bfy s VAL 24 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 1bfy s VAL 24 Cb 0.00 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 33.12 1bfy s VAL 24 CO 0.00 -0.21 1.16 0.20 0.00 0.00 0.00 175.10 176.25 1bfy s ASN 25 N 1.48 4.26 0.58 3.32 0.01 -1.26 0.01 114.94 123.34 1bfy s ASN 25 Ca -0.00 2.18 -0.20 0.00 -0.71 0.00 0.00 52.86 54.12 1bfy s ASN 25 Cb -0.19 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 1bfy s ASN 25 CO 0.04 -2.21 1.30 -0.81 -1.51 0.00 0.00 177.10 173.92 1bfy n PRO 26 N -2.98 1.44 -1.06 -0.60 -0.04 -1.25 -2.67 135.00 127.84 1bfy n PRO 26 Ca 0.12 0.54 -0.02 0.00 -0.04 0.00 0.00 63.50 64.10 1bfy n PRO 26 Cb 0.51 -2.52 -0.01 0.00 -0.04 0.00 0.00 33.50 31.44 1bfy n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bfy n GLY 27 N 0.86 0.54 3.58 0.55 0.00 0.15 -4.85 105.19 106.03 1bfy n GLY 27 Ca 0.12 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1bfy n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bfy s THR 28 N -1.98 4.68 0.20 2.61 2.01 -1.09 -4.94 115.64 117.13 1bfy s THR 28 Ca 0.00 0.90 -0.32 0.00 0.31 0.00 0.00 61.69 62.57 1bfy s THR 28 Cb 0.00 -4.26 -0.14 0.00 0.01 0.00 0.00 72.50 68.11 1bfy s THR 28 CO 0.00 -0.51 1.40 -0.67 -0.69 0.00 0.00 174.62 174.16 1bfy n ASP 29 N 6.57 2.53 -0.44 3.53 -0.08 -1.26 -4.52 116.55 122.87 1bfy n ASP 29 Ca 0.04 1.13 0.39 0.00 -1.51 0.00 0.00 54.79 54.83 1bfy n ASP 29 Cb 0.48 -1.38 0.72 0.00 2.34 0.00 0.00 41.12 43.29 1bfy n ASP 29 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1bfy h PHE 30 N 4.49 0.17 -0.20 -0.67 3.57 -1.95 0.78 116.94 123.14 1bfy h PHE 30 Ca -0.45 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.00 1bfy h PHE 30 Cb 1.29 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1bfy h PHE 30 CO 0.58 -0.03 -0.11 1.57 -2.23 0.00 0.00 178.31 178.09 1bfy h LYS 31 N 0.07 0.43 0.00 1.11 2.10 -2.00 -3.12 116.57 115.16 1bfy h LYS 31 Ca 0.71 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 1bfy h LYS 31 Cb 2.61 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.93 1bfy h LYS 31 CO -0.11 0.73 0.00 -0.44 -2.00 0.00 0.00 179.45 177.63 1bfy h ASP 32 N 0.13 0.00 -2.22 7.07 5.19 -1.22 -3.44 116.42 121.93 1bfy h ASP 32 Ca 0.04 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.85 1bfy h ASP 32 Cb 0.61 0.00 0.06 0.00 0.18 0.00 0.00 39.33 40.18 1bfy h ASP 32 CO 0.03 0.00 0.65 -0.38 -3.12 0.00 0.00 179.24 176.42 1bfy n ILE 33 N -3.01 0.27 -1.87 0.35 5.41 -0.93 -4.89 119.36 114.69 1bfy n ILE 33 Ca -0.00 -0.07 -0.41 0.00 1.00 0.00 0.00 62.75 63.27 1bfy n ILE 33 Cb 0.24 -1.33 -0.00 0.00 -0.71 0.00 0.00 39.64 37.84 1bfy n ILE 33 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1bfy s PRO 34 N 0.44 4.12 0.26 0.38 0.04 -1.26 -4.88 135.00 134.09 1bfy s PRO 34 Ca 0.77 2.47 0.22 0.00 0.04 0.00 0.00 61.00 64.51 1bfy s PRO 34 Cb -0.74 -2.95 0.99 0.00 0.04 0.00 0.00 34.50 31.84 1bfy s PRO 34 CO 0.43 -0.49 1.67 -3.47 0.04 0.00 0.00 177.00 175.19 1bfy n ASP 35 N 0.46 0.60 0.13 6.66 2.03 -1.26 -0.80 116.55 124.36 1bfy n ASP 35 Ca 0.01 0.68 0.13 0.00 0.52 0.00 0.00 54.79 56.13 1bfy n ASP 35 Cb 0.40 -0.79 0.45 0.00 -0.72 0.00 0.00 41.12 40.45 1bfy n ASP 35 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1bfy h ASP 36 N 0.00 0.00 -4.12 1.67 3.04 -2.02 -3.45 116.42 111.54 1bfy h ASP 36 Ca 0.00 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.31 1bfy h ASP 36 Cb 0.26 0.00 0.05 0.00 -1.04 0.00 0.00 39.33 38.60 1bfy h ASP 36 CO 0.00 0.00 0.39 0.86 -2.04 0.00 0.00 179.24 178.45 1bfy s TRP 37 N -3.22 2.93 0.13 4.15 -0.00 0.02 -5.06 118.94 117.88 1bfy s TRP 37 Ca 0.07 1.55 -0.02 0.00 -0.00 0.00 0.00 56.10 57.70 1bfy s TRP 37 Cb 0.11 -3.09 -0.03 0.00 -0.00 0.00 0.00 33.47 30.46 1bfy s TRP 37 CO 0.51 -1.08 0.08 0.54 -0.00 0.00 0.00 176.95 177.01 1bfy s VAL 38 N -2.12 0.11 0.26 5.86 0.11 -1.26 -4.30 120.40 119.06 1bfy s VAL 38 Ca 0.67 -1.80 -0.29 0.00 -2.93 0.00 0.00 61.98 57.62 1bfy s VAL 38 Cb -0.18 -1.94 -0.15 0.00 -1.53 0.00 0.00 36.38 32.59 1bfy s VAL 38 CO 0.28 -0.50 1.00 0.00 -3.33 0.00 0.00 175.10 172.54 1bfy h PRO 40 N 2.19 0.91 -0.61 0.00 0.13 -2.00 -3.25 132.00 129.37 1bfy h PRO 40 Ca -0.39 -0.05 -0.31 0.00 -0.87 0.00 0.00 66.00 64.37 1bfy h PRO 40 Cb 1.35 -0.21 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 1bfy h PRO 40 CO 0.62 0.60 -1.09 1.28 -0.23 0.00 0.00 178.00 179.19 1bfy n LEU 41 N -4.43 2.05 -3.81 1.56 4.77 -1.26 -5.08 117.00 110.80 1bfy n LEU 41 Ca 0.07 -3.42 -0.05 0.00 -0.03 0.00 0.00 56.01 52.58 1bfy n LEU 41 Cb 0.04 0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1bfy n LEU 41 CO 0.36 1.29 0.67 0.00 -1.33 0.00 0.00 177.39 178.38 1bfy n GLY 43 N -0.54 3.68 3.13 0.00 0.00 -1.26 -4.20 105.19 106.00 1bfy n GLY 43 Ca -0.05 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 1bfy n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bfy s VAL 44 N -1.94 1.16 0.57 1.61 0.11 -1.26 -5.04 120.40 115.61 1bfy s VAL 44 Ca 0.38 -0.72 -0.20 0.00 -2.93 0.00 0.00 61.98 58.50 1bfy s VAL 44 Cb 0.20 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1bfy s VAL 44 CO -0.08 0.25 1.30 -0.83 -3.33 0.00 0.00 175.10 172.41 1bfy s GLY 45 N -0.54 2.85 0.29 6.54 0.00 -1.26 -3.76 107.32 111.43 1bfy s GLY 45 Ca 0.05 1.21 -0.03 0.00 0.00 0.00 0.00 44.72 45.95 1bfy s GLY 45 CO -0.00 1.68 1.95 0.07 0.00 0.00 0.00 173.10 176.80 1bfy h LYS 46 N 1.22 1.13 -4.57 2.90 2.10 -1.88 -3.30 116.57 114.16 1bfy h LYS 46 Ca -0.51 -0.07 -0.62 0.00 -2.00 0.00 0.00 60.65 57.44 1bfy h LYS 46 Cb 1.30 -0.25 0.02 0.00 -0.90 0.00 0.00 32.23 32.40 1bfy h LYS 46 CO 0.56 0.76 2.28 -3.47 -2.00 0.00 0.00 179.45 177.58 1bfy n ASP 47 N -4.40 2.90 0.00 7.07 2.03 -1.26 -2.17 116.55 120.72 1bfy n ASP 47 Ca 0.10 -2.72 0.00 0.00 0.52 0.00 0.00 54.79 52.69 1bfy n ASP 47 Cb 0.03 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.13 1bfy n ASP 47 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1bfy n GLN 48 N 7.07 0.00 -1.73 -0.67 -0.06 -1.24 -5.14 117.38 115.61 1bfy n GLN 48 Ca 0.49 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 55.07 1bfy n GLN 48 Cb 0.41 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.58 1bfy n GLN 48 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1bfy n PHE 49 N -0.81 2.63 -3.70 3.69 3.01 -0.92 -4.85 117.46 116.50 1bfy n PHE 49 Ca 0.00 0.40 -0.32 0.00 1.01 0.00 0.00 57.45 58.54 1bfy n PHE 49 Cb 0.00 -2.52 -0.05 0.00 -0.01 0.00 0.00 39.48 36.91 1bfy n PHE 49 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1bfy s GLU 50 N -1.15 3.60 0.26 -1.08 2.02 0.31 -4.84 118.70 117.83 1bfy s GLU 50 Ca 0.60 -0.11 -0.29 0.00 0.02 0.00 0.00 54.97 55.19 1bfy s GLU 50 Cb -0.54 -2.89 -0.09 0.00 0.10 0.00 0.00 34.13 30.71 1bfy s GLU 50 CO 0.55 0.49 1.18 -2.00 0.02 0.00 0.00 175.26 175.51 1bfy s GLU 51 N -2.56 4.52 -0.43 1.61 2.12 -1.26 0.49 118.70 123.19 1bfy s GLU 51 Ca 0.39 1.93 -0.14 0.00 0.36 0.00 0.00 54.97 57.52 1bfy s GLU 51 Cb -0.12 -3.17 0.05 0.00 0.26 0.00 0.00 34.13 31.14 1bfy s GLU 51 CO 0.24 0.02 0.32 0.08 -0.54 0.00 0.00 175.26 175.38 1bfy s VAL 52 N -0.82 5.07 -0.92 3.70 1.01 0.58 -4.73 120.40 124.29 1bfy s VAL 52 Ca 0.48 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 1bfy s VAL 52 Cb -0.34 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 1bfy s VAL 52 CO 0.43 -0.41 2.06 -1.84 0.00 0.00 0.00 175.10 175.33 1bfy n GLU 53 N 5.13 1.93 0.00 2.72 0.28 -1.26 -3.58 120.64 125.86 1bfy n GLU 53 Ca -0.12 -1.79 0.01 0.00 -0.16 0.00 0.00 57.16 55.11 1bfy n GLU 53 Cb 0.45 -2.78 0.06 0.00 1.43 0.00 0.00 31.44 30.61 1bfy n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36