#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfy n LYS 2 N 0.00 -2.97 -1.78 3.17 5.02 -1.26 -4.91 118.16 115.43 1bfy n LYS 2 Ca 0.00 2.32 -0.30 0.00 -2.02 0.00 0.00 58.31 58.31 1bfy n LYS 2 Cb 0.00 -3.51 0.08 0.00 -0.02 0.00 0.00 35.03 31.58 1bfy n LYS 2 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bfy s LYS 3 N -3.62 2.25 -0.02 1.97 1.02 -1.22 -4.42 119.74 115.71 1bfy s LYS 3 Ca 0.00 0.38 -0.18 0.00 0.02 0.00 0.00 55.97 56.19 1bfy s LYS 3 Cb 0.00 -1.96 0.03 0.00 -0.52 0.00 0.00 37.83 35.38 1bfy s LYS 3 CO 0.00 -1.45 0.38 0.71 -0.92 0.00 0.00 175.35 174.07 1bfy s TYR 4 N -3.37 -0.27 0.57 3.18 1.51 -0.49 -0.24 117.35 118.25 1bfy s TYR 4 Ca 0.60 0.41 -0.15 0.00 -1.01 0.00 0.00 57.07 56.93 1bfy s TYR 4 Cb -0.12 0.16 -0.05 0.00 -0.11 0.00 0.00 41.96 41.83 1bfy s TYR 4 CO 0.52 -0.44 1.02 0.99 -1.11 0.00 0.00 175.55 176.52 1bfy s THR 5 N -1.40 4.37 0.91 -0.71 2.01 0.73 -0.17 115.64 121.38 1bfy s THR 5 Ca -0.12 1.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.77 1bfy s THR 5 Cb -0.04 -3.65 0.14 0.00 0.01 0.00 0.00 72.50 68.96 1bfy s THR 5 CO 0.05 -0.77 1.10 0.00 -0.69 0.00 0.00 174.62 174.31 1bfy h THR 7 N -1.58 0.31 0.00 0.00 2.02 -1.66 -3.42 112.91 108.58 1bfy h THR 7 Ca -0.51 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1bfy h THR 7 Cb 1.30 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1bfy h THR 7 CO 0.57 0.05 0.00 0.55 0.37 0.00 0.00 175.52 177.06 1bfy n VAL 8 N -5.12 0.00 -1.73 3.16 3.14 -1.26 -4.96 118.33 111.56 1bfy n VAL 8 Ca 0.27 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.36 1bfy n VAL 8 Cb 0.85 0.00 0.14 0.00 -1.06 0.00 0.00 33.84 33.77 1bfy n VAL 8 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bfy n GLY 10 N -2.88 4.36 2.79 0.00 0.00 -1.26 -4.35 105.19 103.84 1bfy n GLY 10 Ca 0.10 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1bfy n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bfy s TYR 11 N -1.33 2.59 0.08 1.61 6.14 -1.26 -5.06 117.35 120.11 1bfy s TYR 11 Ca 0.59 -2.83 -0.31 0.00 0.64 0.00 0.00 57.07 55.16 1bfy s TYR 11 Cb 0.34 -2.24 -0.08 0.00 0.42 0.00 0.00 41.96 40.41 1bfy s TYR 11 CO -0.18 -0.72 1.49 0.42 0.64 0.00 0.00 175.55 177.20 1bfy s ILE 12 N -0.27 3.24 0.18 3.14 1.01 -1.26 -3.34 121.20 123.91 1bfy s ILE 12 Ca 0.21 0.78 -0.30 0.00 0.00 0.00 0.00 60.65 61.34 1bfy s ILE 12 Cb -0.17 -3.50 -0.07 0.00 0.01 0.00 0.00 42.46 38.72 1bfy s ILE 12 CO -0.06 0.03 1.00 -0.47 0.00 0.00 0.00 174.94 175.44 1bfy s TYR 13 N 1.90 3.80 -0.22 3.97 5.04 0.76 -4.91 117.35 127.69 1bfy s TYR 13 Ca 0.68 1.78 0.02 0.00 -2.44 0.00 0.00 57.07 57.10 1bfy s TYR 13 Cb -0.37 -3.10 0.05 0.00 0.35 0.00 0.00 41.96 38.88 1bfy s TYR 13 CO 0.30 0.03 -0.11 1.21 -1.34 0.00 0.00 175.55 175.63 1bfy s ASN 14 N -0.45 3.81 0.21 4.32 3.84 -1.26 -1.39 114.94 124.02 1bfy s ASN 14 Ca 0.46 -1.08 -0.06 0.00 0.21 0.00 0.00 52.86 52.38 1bfy s ASN 14 Cb -0.26 -1.38 0.17 0.00 -0.55 0.00 0.00 41.25 39.23 1bfy s ASN 14 CO 0.33 -0.15 1.71 1.55 -2.79 0.00 0.00 177.10 177.74 1bfy h PRO 15 N 7.89 1.01 -0.24 0.43 0.13 -1.80 0.29 132.00 139.71 1bfy h PRO 15 Ca -0.26 -0.28 0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1bfy h PRO 15 Cb 1.08 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1bfy h PRO 15 CO 0.49 0.95 0.16 0.93 -0.23 0.00 0.00 178.00 180.30 1bfy h GLU 16 N 0.94 0.28 0.03 0.86 5.08 -1.92 0.50 114.58 120.34 1bfy h GLU 16 Ca 0.18 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.23 1bfy h GLU 16 Cb 0.46 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1bfy h GLU 16 CO 0.02 0.19 -1.63 -0.44 -1.00 0.00 0.00 179.01 176.15 1bfy h ASP 17 N 0.29 0.10 0.00 1.42 3.32 -1.84 -3.30 116.42 116.41 1bfy h ASP 17 Ca 0.09 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1bfy h ASP 17 Cb 0.01 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1bfy h ASP 17 CO -0.02 1.17 0.00 0.61 -1.72 0.00 0.00 179.24 179.28 1bfy n GLY 18 N 1.60 0.60 2.27 2.75 0.00 0.99 -3.84 105.19 109.56 1bfy n GLY 18 Ca -0.16 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.51 0.28 0.02 1.61 8.00 0.89 -4.60 116.55 120.23 1bfy n ASP 19 Ca 0.00 -3.05 0.03 0.00 0.71 0.00 0.00 54.79 52.48 1bfy n ASP 19 Cb 0.00 -0.27 0.40 0.00 -0.02 0.00 0.00 41.12 41.23 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 3.17 0.50 -0.57 -0.24 0.13 -1.13 0.15 132.00 134.01 1bfy h PRO 20 Ca 0.07 -0.05 0.16 0.00 -0.87 0.00 0.00 66.00 65.30 1bfy h PRO 20 Cb 0.97 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.98 1bfy h PRO 20 CO 0.45 0.39 0.41 -0.44 -0.23 0.00 0.00 178.00 178.57 1bfy h ASP 21 N 0.50 0.06 0.00 1.44 5.19 -1.95 -1.87 116.42 119.79 1bfy h ASP 21 Ca 0.13 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.45 1bfy h ASP 21 Cb 0.05 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 1bfy h ASP 21 CO -0.02 0.03 -1.95 0.59 -3.12 0.00 0.00 179.24 174.77 1bfy n ASN 22 N -4.39 0.74 0.00 6.45 3.02 -0.14 -4.99 115.26 115.95 1bfy n ASN 22 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1bfy n ASN 22 Cb 0.60 1.57 0.00 0.00 -0.61 0.00 0.00 39.78 41.34 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 1.59 0.03 3.25 7.41 0.00 -0.17 -5.00 105.19 112.30 1bfy n GLY 23 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.76 3.67 0.75 1.61 1.01 -0.20 -4.90 120.40 121.58 1bfy s VAL 24 Ca 0.00 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.58 1bfy s VAL 24 Cb 0.00 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 33.30 1bfy s VAL 24 CO 0.00 -0.24 1.19 0.20 0.00 0.00 0.00 175.10 176.25 1bfy s ASN 25 N 1.48 4.15 0.62 3.32 0.01 -1.26 -0.08 114.94 123.17 1bfy s ASN 25 Ca -0.01 2.29 -0.19 0.00 -0.71 0.00 0.00 52.86 54.24 1bfy s ASN 25 Cb -0.20 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.85 1bfy s ASN 25 CO 0.02 -2.29 1.31 -0.81 -1.51 0.00 0.00 177.10 173.81 1bfy n PRO 26 N -2.89 1.30 -1.14 -0.60 -0.04 -1.25 -2.57 135.00 127.81 1bfy n PRO 26 Ca 0.13 0.50 -0.05 0.00 -0.04 0.00 0.00 63.50 64.04 1bfy n PRO 26 Cb 0.51 -2.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.40 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 0.88 0.74 3.65 0.55 0.00 0.16 -4.86 105.19 106.31 1bfy n GLY 27 Ca 0.14 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.08 4.98 0.27 2.61 2.01 -1.06 -4.95 115.64 117.42 1bfy s THR 28 Ca 0.00 1.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.94 1bfy s THR 28 Cb 0.00 -3.97 -0.10 0.00 0.01 0.00 0.00 72.50 68.43 1bfy s THR 28 CO 0.00 0.06 1.48 -0.62 -0.69 0.00 0.00 174.62 174.85 1bfy s ASP 29 N 1.30 6.57 0.35 3.53 -1.08 -1.26 -4.54 116.67 121.53 1bfy s ASP 29 Ca 0.29 2.76 0.16 0.00 -0.52 0.00 0.00 52.55 55.24 1bfy s ASP 29 Cb -0.16 -2.63 1.19 0.00 -1.46 0.00 0.00 42.92 39.86 1bfy s ASP 29 CO 0.10 -0.76 1.58 0.15 0.52 0.00 0.00 175.17 176.76 1bfy h PHE 30 N 4.80 0.62 -0.27 -5.34 3.04 -1.90 0.39 116.94 118.27 1bfy h PHE 30 Ca -0.47 0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.44 1bfy h PHE 30 Cb 1.22 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.61 1bfy h PHE 30 CO 0.59 -0.45 -0.22 1.57 -2.02 0.00 0.00 178.31 177.78 1bfy h LYS 31 N 0.02 0.50 0.00 1.11 2.10 -1.98 -2.54 116.57 115.79 1bfy h LYS 31 Ca 0.78 -0.18 -0.04 0.00 -2.00 0.00 0.00 60.65 59.22 1bfy h LYS 31 Cb 1.96 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 33.25 1bfy h LYS 31 CO -0.80 0.69 -0.17 -0.44 -2.00 0.00 0.00 179.45 176.73 1bfy h ASP 32 N 0.45 0.00 -2.76 7.07 3.32 -0.66 -3.45 116.42 120.40 1bfy h ASP 32 Ca 0.07 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.55 1bfy h ASP 32 Cb 0.63 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.26 1bfy h ASP 32 CO 0.04 0.17 0.69 -0.38 -1.72 0.00 0.00 179.24 178.05 1bfy n ILE 33 N -3.19 0.86 -1.86 0.35 5.41 -0.33 -4.90 119.36 115.68 1bfy n ILE 33 Ca 0.02 -0.22 -0.41 0.00 1.00 0.00 0.00 62.75 63.14 1bfy n ILE 33 Cb 0.52 -1.58 -0.01 0.00 -0.71 0.00 0.00 39.64 37.85 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 -0.28 4.17 0.00 0.38 0.04 -1.26 -4.87 135.00 133.18 1bfy s PRO 34 Ca 0.68 2.49 0.19 0.00 0.04 0.00 0.00 61.00 64.41 1bfy s PRO 34 Cb -0.62 -3.02 1.05 0.00 0.04 0.00 0.00 34.50 31.95 1bfy s PRO 34 CO 0.48 -0.51 1.58 -0.25 0.04 0.00 0.00 177.00 178.34 1bfy n ASP 35 N 1.47 0.00 0.25 6.66 9.92 -1.26 -0.56 116.55 133.03 1bfy n ASP 35 Ca 0.05 -0.25 0.13 0.00 -0.53 0.00 0.00 54.79 54.19 1bfy n ASP 35 Cb 0.39 -0.17 0.61 0.00 -0.64 0.00 0.00 41.12 41.31 1bfy n ASP 35 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1bfy h ASP 36 N 0.00 0.00 -4.14 -2.24 3.32 -2.02 -3.45 116.42 107.89 1bfy h ASP 36 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1bfy h ASP 36 Cb 0.10 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.73 1bfy h ASP 36 CO 0.00 0.14 0.40 0.86 -1.72 0.00 0.00 179.24 178.92 1bfy s TRP 37 N -3.81 2.70 0.03 4.55 -0.00 0.28 -5.06 118.94 117.63 1bfy s TRP 37 Ca -0.00 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.64 1bfy s TRP 37 Cb 0.11 -3.20 -0.02 0.00 -0.00 0.00 0.00 33.47 30.35 1bfy s TRP 37 CO 0.59 -1.52 -0.04 0.08 -0.00 0.00 0.00 176.95 176.06 1bfy s VAL 38 N -2.07 0.21 0.20 5.86 1.01 -1.26 -4.25 120.40 120.10 1bfy s VAL 38 Ca 0.69 -1.10 -0.32 0.00 0.00 0.00 0.00 61.98 61.25 1bfy s VAL 38 Cb -0.21 -0.55 -0.14 0.00 0.00 0.00 0.00 36.38 35.48 1bfy s VAL 38 CO 0.33 -0.57 1.43 0.00 0.00 0.00 0.00 175.10 176.30 1bfy h PRO 40 N 4.65 -0.31 -2.16 0.00 0.13 -1.97 -3.20 132.00 129.14 1bfy h PRO 40 Ca -0.45 0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.16 1bfy h PRO 40 Cb 1.28 0.07 -0.41 0.00 0.13 0.00 0.00 31.00 32.07 1bfy h PRO 40 CO 0.79 -0.21 -0.88 1.28 -0.23 0.00 0.00 178.00 178.75 1bfy n LEU 41 N -5.25 2.91 0.07 1.56 4.77 -1.26 -4.79 117.00 115.01 1bfy n LEU 41 Ca -0.09 -5.39 0.00 0.00 -0.03 0.00 0.00 56.01 50.51 1bfy n LEU 41 Cb 0.17 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1bfy n LEU 41 CO 0.33 2.33 0.00 0.00 -1.33 0.00 0.00 177.39 178.72 1bfy n GLY 43 N -1.48 0.59 3.30 0.00 0.00 -1.21 -5.05 105.19 101.34 1bfy n GLY 43 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1bfy n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bfy s VAL 44 N -1.11 1.72 0.58 1.61 -7.23 -1.26 -4.93 120.40 109.78 1bfy s VAL 44 Ca 0.00 -1.73 -0.10 0.00 -1.81 0.00 0.00 61.98 58.34 1bfy s VAL 44 Cb 0.00 -1.68 0.14 0.00 0.56 0.00 0.00 36.38 35.40 1bfy s VAL 44 CO 0.00 -0.22 0.73 0.61 -0.31 0.00 0.00 175.10 175.92 1bfy n GLY 45 N 0.66 -1.59 3.57 2.32 0.00 -1.26 -0.55 105.19 108.34 1bfy n GLY 45 Ca -0.16 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 1bfy n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bfy s LYS 46 N -4.61 3.61 0.03 1.61 1.02 -1.26 -4.77 119.74 115.36 1bfy s LYS 46 Ca 0.43 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.94 1bfy s LYS 46 Cb -0.02 -5.41 -0.02 0.00 -0.52 0.00 0.00 37.83 31.86 1bfy s LYS 46 CO 0.30 -2.47 -0.04 -0.51 -0.92 0.00 0.00 175.35 171.72 1bfy s ASP 47 N 4.96 0.37 -1.26 2.83 1.01 -1.26 -4.95 116.67 118.38 1bfy s ASP 47 Ca 0.53 -0.55 -0.14 0.00 0.71 0.00 0.00 52.55 53.11 1bfy s ASP 47 Cb 0.01 0.10 0.00 0.00 1.01 0.00 0.00 42.92 44.04 1bfy s ASP 47 CO 0.01 -0.30 0.63 1.67 0.21 0.00 0.00 175.17 177.38 1bfy n GLN 48 N 1.47 -1.99 -3.63 8.23 -0.06 -1.26 -3.70 117.38 116.44 1bfy n GLN 48 Ca -0.23 0.40 -0.39 0.00 -2.00 0.00 0.00 57.00 54.78 1bfy n GLN 48 Cb 0.55 -4.13 -0.11 0.00 -4.06 0.00 0.00 30.24 22.49 1bfy n GLN 48 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1bfy s PHE 49 N -3.68 3.19 0.25 3.69 -0.71 -1.26 -3.81 117.98 115.64 1bfy s PHE 49 Ca 0.28 -0.46 -0.17 0.00 -1.04 0.00 0.00 56.93 55.54 1bfy s PHE 49 Cb -0.11 -2.38 -0.08 0.00 -1.21 0.00 0.00 43.02 39.24 1bfy s PHE 49 CO 0.88 -0.42 0.71 -1.21 -1.34 0.00 0.00 175.22 173.84 1bfy s GLU 50 N 1.64 4.14 0.25 1.99 2.02 -1.25 -4.84 118.70 122.65 1bfy s GLU 50 Ca 0.05 0.76 -0.27 0.00 0.02 0.00 0.00 54.97 55.53 1bfy s GLU 50 Cb -0.17 -2.74 -0.09 0.00 0.10 0.00 0.00 34.13 31.23 1bfy s GLU 50 CO 0.07 0.33 0.89 -2.00 0.02 0.00 0.00 175.26 174.57 1bfy s GLU 51 N -2.30 4.65 -0.42 1.61 2.12 -1.26 -0.19 118.70 122.91 1bfy s GLU 51 Ca 0.46 1.31 -0.07 0.00 0.36 0.00 0.00 54.97 57.03 1bfy s GLU 51 Cb -0.14 -3.09 0.10 0.00 0.26 0.00 0.00 34.13 31.26 1bfy s GLU 51 CO 0.20 0.44 0.25 0.08 -0.54 0.00 0.00 175.26 175.69 1bfy s VAL 52 N -1.34 3.88 -1.24 3.70 1.01 0.67 -4.84 120.40 122.23 1bfy s VAL 52 Ca 0.43 -1.69 -0.19 0.00 0.00 0.00 0.00 61.98 60.53 1bfy s VAL 52 Cb -0.22 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1bfy s VAL 52 CO 0.27 -0.61 1.92 -1.84 0.00 0.00 0.00 175.10 174.84 1bfy n GLU 53 N 4.81 2.56 0.00 2.72 0.28 -1.26 -3.39 120.64 126.35 1bfy n GLU 53 Ca -0.07 -2.76 0.00 0.00 -0.16 0.00 0.00 57.16 54.16 1bfy n GLU 53 Cb 0.42 -3.42 0.00 0.00 1.43 0.00 0.00 31.44 29.86 1bfy n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36