#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 -2.82 -1.55 3.17 5.02 -1.26 -4.89 118.16 115.82 1bfy n LYS 2 Ca 0.00 2.07 -0.29 0.00 -2.02 0.00 0.00 58.31 58.07 1bfy n LYS 2 Cb 0.00 -3.38 0.11 0.00 -0.02 0.00 0.00 35.03 31.74 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 -2.99 1.67 -0.04 1.97 1.02 -1.18 -4.41 119.74 115.78 1bfy s LYS 3 Ca 0.00 0.48 -0.08 0.00 0.02 0.00 0.00 55.97 56.40 1bfy s LYS 3 Cb 0.00 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1bfy s LYS 3 CO 0.00 -1.87 0.18 0.71 -0.92 0.00 0.00 175.35 173.45 1bfy s TYR 4 N -3.21 -0.12 0.48 3.18 1.51 -0.30 -0.37 117.35 118.52 1bfy s TYR 4 Ca 0.62 0.28 -0.20 0.00 -1.01 0.00 0.00 57.07 56.77 1bfy s TYR 4 Cb -0.15 0.03 -0.09 0.00 -0.11 0.00 0.00 41.96 41.65 1bfy s TYR 4 CO 0.54 -0.19 1.01 0.99 -1.11 0.00 0.00 175.55 176.79 1bfy s THR 5 N -0.50 4.04 1.14 -0.71 2.01 0.49 -0.39 115.64 121.72 1bfy s THR 5 Ca -0.06 1.21 -0.14 0.00 0.31 0.00 0.00 61.69 63.01 1bfy s THR 5 Cb -0.04 -3.51 0.26 0.00 0.01 0.00 0.00 72.50 69.22 1bfy s THR 5 CO 0.01 -0.34 1.05 0.00 -0.69 0.00 0.00 174.62 174.65 1bfy h THR 7 N -2.45 1.33 0.00 0.00 1.03 -1.85 -3.39 112.91 107.57 1bfy h THR 7 Ca -0.57 -1.64 -0.08 0.00 -0.01 0.00 0.00 66.41 64.11 1bfy h THR 7 Cb 1.33 1.87 -0.16 0.00 -1.07 0.00 0.00 68.15 70.12 1bfy h THR 7 CO 0.51 0.51 -0.71 1.33 -0.01 0.00 0.00 175.52 177.14 1bfy n VAL 8 N -4.23 0.00 -3.26 0.00 0.24 -1.26 -5.00 118.33 104.82 1bfy n VAL 8 Ca -0.06 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1bfy n VAL 8 Cb 0.54 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 1bfy n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bfy n GLY 10 N 0.00 1.37 3.12 0.00 0.00 -1.26 -3.81 105.19 104.62 1bfy n GLY 10 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1bfy n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bfy n TYR 11 N -0.56 -0.09 -1.67 1.61 4.02 -1.26 -1.60 117.16 117.61 1bfy n TYR 11 Ca 0.00 0.02 -0.44 0.00 -0.01 0.00 0.00 57.90 57.47 1bfy n TYR 11 Cb 0.00 -0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.15 1bfy n TYR 11 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1bfy n ILE 12 N -0.86 0.61 -2.42 -0.72 5.41 -1.26 -4.28 119.36 115.84 1bfy n ILE 12 Ca -0.01 -0.11 -0.41 0.00 1.00 0.00 0.00 62.75 63.22 1bfy n ILE 12 Cb 0.03 -2.14 -0.04 0.00 -0.71 0.00 0.00 39.64 36.78 1bfy n ILE 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1bfy s TYR 13 N 3.85 3.49 -0.22 1.39 6.14 0.48 -4.89 117.35 127.60 1bfy s TYR 13 Ca 0.88 1.58 0.01 0.00 0.64 0.00 0.00 57.07 60.18 1bfy s TYR 13 Cb -0.52 -3.36 0.05 0.00 0.42 0.00 0.00 41.96 38.55 1bfy s TYR 13 CO 0.43 -0.87 -0.07 1.21 0.64 0.00 0.00 175.55 176.90 1bfy s ASN 14 N -0.47 3.60 0.22 4.32 3.84 -1.26 -1.15 114.94 124.04 1bfy s ASN 14 Ca 0.48 -1.03 -0.07 0.00 0.21 0.00 0.00 52.86 52.45 1bfy s ASN 14 Cb -0.33 -1.16 0.17 0.00 -0.55 0.00 0.00 41.25 39.38 1bfy s ASN 14 CO 0.40 -0.20 1.77 1.55 -2.79 0.00 0.00 177.10 177.83 1bfy h PRO 15 N 7.98 1.15 -0.56 0.43 0.13 -1.80 0.28 132.00 139.61 1bfy h PRO 15 Ca -0.22 -0.23 0.11 0.00 -0.87 0.00 0.00 66.00 64.79 1bfy h PRO 15 Cb 1.08 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 1bfy h PRO 15 CO 0.43 0.96 0.38 0.93 -0.23 0.00 0.00 178.00 180.47 1bfy h GLU 16 N 1.11 0.30 0.00 0.86 5.08 -1.92 0.53 114.58 120.55 1bfy h GLU 16 Ca 0.25 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.29 1bfy h GLU 16 Cb 0.27 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1bfy h GLU 16 CO -0.01 0.20 -1.81 -0.25 -1.00 0.00 0.00 179.01 176.14 1bfy n ASP 17 N -4.46 0.73 0.00 1.42 8.00 -0.79 -3.74 116.55 117.72 1bfy n ASP 17 Ca 0.09 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1bfy n ASP 17 Cb 0.41 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 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 1.58 0.23 2.20 0.44 0.00 0.90 -3.88 105.19 106.66 1bfy n GLY 18 Ca -0.19 -0.96 -0.19 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 -2.04 0.73 -0.08 1.61 8.00 0.83 -4.60 116.55 121.00 1bfy n ASP 19 Ca 0.00 -2.98 0.01 0.00 0.71 0.00 0.00 54.79 52.53 1bfy n ASP 19 Cb 0.00 -0.60 0.31 0.00 -0.02 0.00 0.00 41.12 40.81 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 3.11 0.70 -0.34 -0.24 0.13 -1.23 0.38 132.00 134.52 1bfy h PRO 20 Ca 0.09 -0.08 0.07 0.00 -0.87 0.00 0.00 66.00 65.21 1bfy h PRO 20 Cb 0.96 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 1bfy h PRO 20 CO 0.49 0.55 0.23 -0.44 -0.23 0.00 0.00 178.00 178.60 1bfy h ASP 21 N 0.70 0.15 0.46 1.44 5.19 -1.95 -1.15 116.42 121.27 1bfy h ASP 21 Ca 0.18 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.34 1bfy h ASP 21 Cb 0.08 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.51 1bfy h ASP 21 CO -0.02 0.10 -1.73 0.59 -3.12 0.00 0.00 179.24 175.05 1bfy n ASN 22 N -4.47 0.69 0.00 6.45 3.02 -0.26 -4.98 115.26 115.71 1bfy n ASN 22 Ca 0.04 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 1bfy n ASN 22 Cb 0.30 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 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 1.52 -0.66 3.45 7.41 0.00 -0.09 -4.99 105.19 111.84 1bfy n GLY 23 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.34 5.11 0.72 1.61 1.01 -0.07 -4.86 120.40 123.59 1bfy s VAL 24 Ca 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1bfy s VAL 24 Cb 0.00 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1bfy s VAL 24 CO 0.00 -0.24 1.17 0.20 0.00 0.00 0.00 175.10 176.24 1bfy s ASN 25 N 1.66 4.36 0.62 3.32 0.01 -1.26 -0.12 114.94 123.53 1bfy s ASN 25 Ca 0.05 2.23 -0.19 0.00 -0.71 0.00 0.00 52.86 54.24 1bfy s ASN 25 Cb -0.19 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.87 1bfy s ASN 25 CO 0.09 -2.14 1.23 -0.81 -1.51 0.00 0.00 177.10 173.96 1bfy n PRO 26 N -2.77 1.15 -1.10 -0.60 -0.04 -1.25 -2.55 135.00 127.84 1bfy n PRO 26 Ca 0.12 0.44 -0.03 0.00 -0.04 0.00 0.00 63.50 63.99 1bfy n PRO 26 Cb 0.51 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.50 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 0.98 0.62 3.64 0.55 0.00 0.17 -4.86 105.19 106.30 1bfy n GLY 27 Ca 0.15 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.96 4.90 0.28 2.61 2.01 -1.06 -4.94 115.64 117.49 1bfy s THR 28 Ca 0.00 1.37 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 1bfy s THR 28 Cb 0.00 -4.03 -0.12 0.00 0.01 0.00 0.00 72.50 68.36 1bfy s THR 28 CO 0.00 -0.03 1.62 -0.67 -0.69 0.00 0.00 174.62 174.86 1bfy n ASP 29 N 5.85 3.91 -0.38 3.53 -0.08 -1.26 -4.54 116.55 123.59 1bfy n ASP 29 Ca 0.03 1.14 0.31 0.00 -1.51 0.00 0.00 54.79 54.75 1bfy n ASP 29 Cb 0.48 -1.60 0.58 0.00 2.34 0.00 0.00 41.12 42.92 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 5.07 0.71 -0.44 -0.67 3.04 -1.90 0.29 116.94 123.03 1bfy h PHE 30 Ca -0.47 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.39 1bfy h PHE 30 Cb 1.22 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.54 1bfy h PHE 30 CO 0.59 -0.22 -0.23 1.57 -2.02 0.00 0.00 178.31 178.00 1bfy h LYS 31 N 0.16 0.90 0.00 1.11 2.10 -1.96 -2.97 116.57 115.91 1bfy h LYS 31 Ca 0.78 -0.38 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1bfy h LYS 31 Cb 2.17 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.47 1bfy h LYS 31 CO -0.53 1.03 0.00 -0.44 -2.00 0.00 0.00 179.45 177.52 1bfy h ASP 32 N 0.78 0.00 -2.26 7.07 5.19 -0.85 -3.45 116.42 122.90 1bfy h ASP 32 Ca 0.10 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.90 1bfy h ASP 32 Cb 0.78 0.00 0.07 0.00 0.18 0.00 0.00 39.33 40.36 1bfy h ASP 32 CO 0.06 0.00 0.56 -0.38 -3.12 0.00 0.00 179.24 176.36 1bfy n ILE 33 N -2.71 0.55 -1.95 0.35 5.41 -0.45 -4.90 119.36 115.67 1bfy n ILE 33 Ca 0.04 -0.14 -0.41 0.00 1.00 0.00 0.00 62.75 63.24 1bfy n ILE 33 Cb 0.41 -1.25 -0.01 0.00 -0.71 0.00 0.00 39.64 38.08 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 0.06 4.20 0.01 0.38 0.05 -1.26 -4.89 135.00 133.56 1bfy s PRO 34 Ca 0.74 2.40 0.15 0.00 0.05 0.00 0.00 61.00 64.34 1bfy s PRO 34 Cb -0.75 -3.00 0.63 0.00 0.05 0.00 0.00 34.50 31.43 1bfy s PRO 34 CO 0.47 -0.39 1.47 -0.25 0.05 0.00 0.00 177.00 178.35 1bfy n ASP 35 N 0.58 0.02 0.05 6.66 8.00 -1.26 -0.79 116.55 129.81 1bfy n ASP 35 Ca 0.01 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.14 1bfy n ASP 35 Cb 0.40 -0.51 0.49 0.00 -0.02 0.00 0.00 41.12 41.48 1bfy n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1bfy n ASP 36 N -1.52 0.33 -4.79 -2.24 5.68 -1.26 -4.87 116.55 107.87 1bfy n ASP 36 Ca 0.03 0.54 -0.33 0.00 -0.50 0.00 0.00 54.79 54.54 1bfy n ASP 36 Cb 0.17 -0.63 0.01 0.00 -1.14 0.00 0.00 41.12 39.53 1bfy n ASP 36 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1bfy s TRP 37 N -3.07 2.91 0.04 2.11 -0.00 0.03 -5.07 118.94 115.89 1bfy s TRP 37 Ca 0.11 1.53 0.02 0.00 -0.00 0.00 0.00 56.10 57.76 1bfy s TRP 37 Cb 0.14 -3.07 -0.02 0.00 -0.00 0.00 0.00 33.47 30.52 1bfy s TRP 37 CO 0.49 -1.18 -0.07 0.08 -0.00 0.00 0.00 176.95 176.28 1bfy s VAL 38 N -2.28 0.43 0.02 5.86 1.01 -1.26 -4.73 120.40 119.45 1bfy s VAL 38 Ca 0.66 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1bfy s VAL 38 Cb -0.17 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1bfy s VAL 38 CO 0.33 -0.41 1.00 0.00 0.00 0.00 0.00 175.10 176.02 1bfy s PRO 40 N 0.87 3.23 0.00 0.00 0.04 -1.26 -0.37 135.00 137.51 1bfy s PRO 40 Ca 0.52 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1bfy s PRO 40 Cb -0.22 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1bfy s PRO 40 CO 0.28 -1.03 0.00 1.28 0.04 0.00 0.00 177.00 177.58 1bfy n LEU 41 N -1.12 0.00 0.24 -3.56 7.99 -1.26 -4.25 117.00 115.04 1bfy n LEU 41 Ca 0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.96 1bfy n LEU 41 Cb 0.48 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.71 1bfy n LEU 41 CO 0.48 0.00 0.71 0.00 -1.51 0.00 0.00 177.39 177.07 1bfy n GLY 43 N -1.36 0.84 3.58 0.00 0.00 0.50 -5.00 105.19 103.74 1bfy n GLY 43 Ca -0.11 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1bfy n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bfy s VAL 44 N 0.00 3.19 0.00 1.61 1.01 -1.26 0.01 120.40 124.95 1bfy s VAL 44 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1bfy s VAL 44 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1bfy s VAL 44 CO 0.00 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1bfy n GLY 45 N 5.73 5.13 3.42 4.51 0.00 -1.26 -4.79 105.19 117.93 1bfy n GLY 45 Ca 0.28 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 1bfy n GLY 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bfy n LYS 46 N 0.00 -1.69 -3.56 1.61 4.81 -1.26 -4.76 118.16 113.31 1bfy n LYS 46 Ca 0.00 0.79 -0.12 0.00 -0.87 0.00 0.00 58.31 58.10 1bfy n LYS 46 Cb 0.00 -5.01 -0.04 0.00 0.02 0.00 0.00 35.03 30.00 1bfy n LYS 46 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1bfy s ASP 47 N -3.35 -0.40 -1.47 3.14 2.15 -1.26 -5.00 116.67 110.48 1bfy s ASP 47 Ca 0.39 -0.02 -0.16 0.00 0.43 0.00 0.00 52.55 53.19 1bfy s ASP 47 Cb -0.09 0.51 0.14 0.00 -0.30 0.00 0.00 42.92 43.18 1bfy s ASP 47 CO 0.80 -0.81 0.59 1.67 -0.17 0.00 0.00 175.17 177.24 1bfy n GLN 48 N 0.05 -2.59 -2.62 4.34 -0.06 -1.26 -4.17 117.38 111.06 1bfy n GLN 48 Ca -0.17 0.30 -0.42 0.00 -2.00 0.00 0.00 57.00 54.71 1bfy n GLN 48 Cb 0.62 -4.97 -0.03 0.00 -4.06 0.00 0.00 30.24 21.80 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 -3.05 3.63 -0.13 3.69 -0.12 -1.26 -4.73 117.98 116.01 1bfy s PHE 49 Ca 0.61 1.61 -0.11 0.00 -0.05 0.00 0.00 56.93 58.99 1bfy s PHE 49 Cb -0.34 -3.20 -0.05 0.00 -0.63 0.00 0.00 43.02 38.81 1bfy s PHE 49 CO 0.75 -0.34 0.22 -1.21 -0.05 0.00 0.00 175.22 174.59 1bfy s GLU 50 N 0.65 3.89 0.25 1.99 2.02 -1.24 -4.93 118.70 121.33 1bfy s GLU 50 Ca 0.52 -0.00 -0.30 0.00 0.02 0.00 0.00 54.97 55.21 1bfy s GLU 50 Cb -0.24 -3.30 -0.09 0.00 0.10 0.00 0.00 34.13 30.59 1bfy s GLU 50 CO 0.29 0.53 1.17 -2.00 0.02 0.00 0.00 175.26 175.27 1bfy s GLU 51 N -0.36 4.54 -0.42 1.61 2.12 -1.26 -0.38 118.70 124.56 1bfy s GLU 51 Ca 0.15 1.89 -0.10 0.00 0.36 0.00 0.00 54.97 57.27 1bfy s GLU 51 Cb -0.13 -3.19 0.07 0.00 0.26 0.00 0.00 34.13 31.14 1bfy s GLU 51 CO 0.04 0.04 0.27 0.08 -0.54 0.00 0.00 175.26 175.15 1bfy s VAL 52 N -0.75 4.40 -0.70 3.70 1.01 0.50 -4.82 120.40 123.74 1bfy s VAL 52 Ca 0.48 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 1bfy s VAL 52 Cb -0.33 -3.64 -0.14 0.00 0.00 0.00 0.00 36.38 32.26 1bfy s VAL 52 CO 0.41 -0.47 3.22 -1.84 0.00 0.00 0.00 175.10 176.42 1bfy n GLU 53 N 4.96 2.82 0.00 2.72 0.28 -1.26 -3.10 120.64 127.06 1bfy n GLU 53 Ca -0.11 -1.74 0.00 0.00 -0.16 0.00 0.00 57.16 55.15 1bfy n GLU 53 Cb 0.43 -2.34 0.00 0.00 1.43 0.00 0.00 31.44 30.97 1bfy n GLU 53 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12