#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 4.18 0.87 2.12 1.02 -1.26 -4.78 119.74 121.89 1bfy s LYS 2 Ca 0.00 0.96 -0.12 0.00 0.02 0.00 0.00 55.97 56.83 1bfy s LYS 2 Cb 0.00 -2.38 0.11 0.00 -0.52 0.00 0.00 37.83 35.04 1bfy s LYS 2 CO 0.00 0.10 1.13 0.15 -0.92 0.00 0.00 175.35 175.80 1bfy s LYS 3 N -2.92 1.51 -0.06 1.68 1.02 -1.22 -4.51 119.74 115.24 1bfy s LYS 3 Ca 0.57 0.39 -0.06 0.00 0.02 0.00 0.00 55.97 56.89 1bfy s LYS 3 Cb -0.11 -1.87 0.02 0.00 -0.52 0.00 0.00 37.83 35.35 1bfy s LYS 3 CO 0.16 -1.96 0.17 0.71 -0.92 0.00 0.00 175.35 173.50 1bfy s TYR 4 N -3.26 -0.19 0.07 3.18 1.51 -0.21 -0.26 117.35 118.20 1bfy s TYR 4 Ca 0.63 0.46 -0.22 0.00 -1.01 0.00 0.00 57.07 56.92 1bfy s TYR 4 Cb -0.14 0.05 -0.06 0.00 -0.11 0.00 0.00 41.96 41.70 1bfy s TYR 4 CO 0.53 -0.10 0.66 0.99 -1.11 0.00 0.00 175.55 176.53 1bfy s THR 5 N 0.19 4.69 0.61 -0.71 2.01 0.12 -0.33 115.64 122.22 1bfy s THR 5 Ca -0.01 1.42 -0.19 0.00 0.31 0.00 0.00 61.69 63.22 1bfy s THR 5 Cb -0.02 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1bfy s THR 5 CO -0.00 0.48 1.26 0.00 -0.69 0.00 0.00 174.62 175.66 1bfy h THR 7 N 0.79 0.18 0.00 0.00 2.02 -1.95 -3.31 112.91 110.63 1bfy h THR 7 Ca -0.51 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1bfy h THR 7 Cb 1.32 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1bfy h THR 7 CO 0.54 0.03 -0.51 1.33 0.37 0.00 0.00 175.52 177.28 1bfy n VAL 8 N -4.76 0.00 -1.68 3.16 0.24 -1.26 -5.08 118.33 108.95 1bfy n VAL 8 Ca 0.35 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.34 1bfy n VAL 8 Cb 1.31 -0.31 0.04 0.00 -1.47 0.00 0.00 33.84 33.41 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 -2.29 2.54 0.24 0.00 0.00 -1.26 -3.44 105.19 100.98 1bfy n GLY 10 Ca 0.07 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 1bfy n GLY 10 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1bfy h TYR 11 N 4.15 0.77 -3.24 1.61 0.05 -1.95 -3.49 116.97 114.87 1bfy h TYR 11 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1bfy h TYR 11 Cb 1.22 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.71 1bfy h TYR 11 CO 0.64 0.51 -0.52 -0.89 -1.05 0.00 0.00 178.16 176.85 1bfy n ILE 12 N -4.64 -8.13 -2.21 -2.88 5.41 -1.26 -4.95 119.36 100.70 1bfy n ILE 12 Ca 0.04 1.73 -0.42 0.00 1.00 0.00 0.00 62.75 65.11 1bfy n ILE 12 Cb 0.04 -4.43 -0.03 0.00 -0.71 0.00 0.00 39.64 34.51 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 -0.31 3.26 -0.23 1.39 5.04 0.56 -4.88 117.35 122.18 1bfy s TYR 13 Ca 0.00 1.12 0.02 0.00 -2.44 0.00 0.00 57.07 55.77 1bfy s TYR 13 Cb 0.00 -3.62 0.05 0.00 0.35 0.00 0.00 41.96 38.73 1bfy s TYR 13 CO 0.00 -2.05 -0.14 1.21 -1.34 0.00 0.00 175.55 173.24 1bfy s ASN 14 N 0.67 3.99 0.22 4.32 2.47 -1.26 -1.04 114.94 124.30 1bfy s ASN 14 Ca 0.60 -1.14 -0.09 0.00 0.42 0.00 0.00 52.86 52.64 1bfy s ASN 14 Cb -0.36 -1.50 0.19 0.00 -1.45 0.00 0.00 41.25 38.12 1bfy s ASN 14 CO 0.35 -0.13 1.88 1.55 -3.72 0.00 0.00 177.10 177.03 1bfy h PRO 15 N 7.84 1.02 -0.17 0.43 0.13 -1.80 0.35 132.00 139.80 1bfy h PRO 15 Ca -0.27 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1bfy h PRO 15 Cb 1.07 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1bfy h PRO 15 CO 0.51 0.68 0.12 0.93 -0.23 0.00 0.00 178.00 180.01 1bfy h GLU 16 N 1.05 0.18 0.00 0.86 5.08 -1.87 0.44 114.58 120.32 1bfy h GLU 16 Ca 0.30 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.37 1bfy h GLU 16 Cb -0.09 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1bfy h GLU 16 CO -0.07 0.12 -1.67 -0.25 -1.00 0.00 0.00 179.01 176.13 1bfy n ASP 17 N -4.51 0.88 0.00 1.42 8.00 -0.74 -3.53 116.55 118.07 1bfy n ASP 17 Ca -0.00 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1bfy n ASP 17 Cb 0.11 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 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 1.54 0.72 2.36 0.44 0.00 0.12 -3.80 105.19 106.57 1bfy n GLY 18 Ca -0.16 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.26 -0.02 1.61 8.00 0.77 -4.53 116.55 119.61 1bfy n ASP 19 Ca 0.00 -3.19 0.02 0.00 0.71 0.00 0.00 54.79 52.34 1bfy n ASP 19 Cb 0.00 0.19 0.36 0.00 -0.02 0.00 0.00 41.12 41.65 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 3.13 0.58 -0.53 -0.24 0.13 -1.17 0.24 132.00 134.15 1bfy h PRO 20 Ca 0.03 -0.06 0.15 0.00 -0.87 0.00 0.00 66.00 65.25 1bfy h PRO 20 Cb 1.00 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1bfy h PRO 20 CO 0.39 0.45 0.38 -0.44 -0.23 0.00 0.00 178.00 178.55 1bfy h ASP 21 N 0.58 0.00 0.07 1.44 5.19 -1.96 -1.79 116.42 119.96 1bfy h ASP 21 Ca 0.15 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.19 1bfy h ASP 21 Cb 0.06 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.51 1bfy h ASP 21 CO -0.02 0.00 -2.30 0.59 -3.12 0.00 0.00 179.24 174.38 1bfy n ASN 22 N -4.36 0.91 0.00 6.45 3.02 -0.27 -5.00 115.26 116.00 1bfy n ASN 22 Ca 0.10 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1bfy n ASN 22 Cb 0.61 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 40.05 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 1.91 -0.80 3.34 7.41 0.00 -0.09 -4.91 105.19 112.05 1bfy n GLY 23 Ca -0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 4.08 0.69 1.61 1.01 -0.36 -4.88 120.40 122.55 1bfy s VAL 24 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.00 1bfy s VAL 24 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1bfy s VAL 24 CO 0.00 -0.05 1.18 0.20 0.00 0.00 0.00 175.10 176.43 1bfy s ASN 25 N 1.49 4.61 0.56 3.32 0.01 -1.26 -0.16 114.94 123.51 1bfy s ASN 25 Ca 0.01 2.25 -0.21 0.00 -0.71 0.00 0.00 52.86 54.20 1bfy s ASN 25 Cb -0.18 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.85 1bfy s ASN 25 CO 0.04 -1.98 1.31 -0.81 -1.51 0.00 0.00 177.10 174.15 1bfy n PRO 26 N -2.47 1.57 -1.05 -0.60 -0.04 -1.25 -2.81 135.00 128.35 1bfy n PRO 26 Ca 0.12 0.58 -0.02 0.00 -0.04 0.00 0.00 63.50 64.15 1bfy n PRO 26 Cb 0.51 -2.53 -0.01 0.00 -0.04 0.00 0.00 33.50 31.43 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 0.82 0.52 3.63 0.55 0.00 0.14 -4.86 105.19 106.01 1bfy n GLY 27 Ca 0.11 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.04 5.01 0.25 2.61 2.01 -1.12 -4.95 115.64 117.40 1bfy s THR 28 Ca 0.00 1.11 -0.31 0.00 0.31 0.00 0.00 61.69 62.79 1bfy s THR 28 Cb 0.00 -3.92 -0.13 0.00 0.01 0.00 0.00 72.50 68.47 1bfy s THR 28 CO 0.00 0.06 1.55 -0.67 -0.69 0.00 0.00 174.62 174.87 1bfy n ASP 29 N 5.53 3.43 -0.32 3.53 -0.08 -1.26 -4.55 116.55 122.83 1bfy n ASP 29 Ca -0.01 1.12 0.31 0.00 -1.51 0.00 0.00 54.79 54.70 1bfy n ASP 29 Cb 0.49 -1.52 0.67 0.00 2.34 0.00 0.00 41.12 43.10 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 5.06 0.23 -0.42 -0.67 3.57 -1.95 0.17 116.94 122.93 1bfy h PHE 30 Ca -0.45 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 60.92 1bfy h PHE 30 Cb 1.24 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 1bfy h PHE 30 CO 0.59 0.01 -0.25 1.57 -2.23 0.00 0.00 178.31 178.01 1bfy h LYS 31 N 0.13 0.90 0.00 1.11 2.10 -1.99 -3.09 116.57 115.73 1bfy h LYS 31 Ca 0.57 -0.42 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1bfy h LYS 31 Cb 1.99 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.30 1bfy h LYS 31 CO -0.11 1.07 0.00 -0.44 -2.00 0.00 0.00 179.45 177.96 1bfy h ASP 32 N 0.72 0.00 -2.55 7.07 3.32 -1.04 -3.44 116.42 120.51 1bfy h ASP 32 Ca 0.09 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.56 1bfy h ASP 32 Cb 0.82 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.44 1bfy h ASP 32 CO 0.07 0.00 0.76 -0.38 -1.72 0.00 0.00 179.24 177.97 1bfy n ILE 33 N -2.35 0.43 -1.94 0.35 5.41 -0.81 -4.92 119.36 115.53 1bfy n ILE 33 Ca 0.04 -0.11 -0.41 0.00 1.00 0.00 0.00 62.75 63.27 1bfy n ILE 33 Cb 0.35 -1.59 -0.01 0.00 -0.71 0.00 0.00 39.64 37.67 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 0.33 4.19 0.53 0.38 0.04 -1.26 -4.88 135.00 134.33 1bfy s PRO 34 Ca 0.73 2.40 0.36 0.00 0.04 0.00 0.00 61.00 64.53 1bfy s PRO 34 Cb -0.64 -2.99 1.89 0.00 0.04 0.00 0.00 34.50 32.80 1bfy s PRO 34 CO 0.43 -0.40 2.09 -0.44 0.04 0.00 0.00 177.00 178.72 1bfy h ASP 35 N 3.12 0.00 1.04 6.66 3.32 -1.92 -0.14 116.42 128.50 1bfy h ASP 35 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1bfy h ASP 35 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1bfy h ASP 35 CO 0.64 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 178.60 1bfy h ASP 36 N 0.00 0.00 -4.30 6.45 3.32 -2.01 -3.46 116.42 116.42 1bfy h ASP 36 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1bfy h ASP 36 Cb 0.06 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.75 1bfy h ASP 36 CO 0.00 0.00 0.31 0.86 -1.72 0.00 0.00 179.24 178.69 1bfy s TRP 37 N -3.53 2.48 0.05 4.55 -0.00 -0.07 -5.06 118.94 117.35 1bfy s TRP 37 Ca 0.03 1.58 0.02 0.00 -0.00 0.00 0.00 56.10 57.72 1bfy s TRP 37 Cb 0.09 -3.09 -0.03 0.00 -0.00 0.00 0.00 33.47 30.44 1bfy s TRP 37 CO 0.52 -1.90 -0.07 0.14 -0.00 0.00 0.00 176.95 175.64 1bfy s VAL 38 N -2.82 0.50 0.20 5.86 -7.23 -1.26 -4.37 120.40 111.28 1bfy s VAL 38 Ca 0.62 -1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 59.32 1bfy s VAL 38 Cb -0.18 -0.72 -0.08 0.00 0.56 0.00 0.00 36.38 35.96 1bfy s VAL 38 CO 0.55 -0.47 1.20 0.00 -0.31 0.00 0.00 175.10 176.07 1bfy s PRO 40 N -0.43 4.23 -1.26 0.00 0.04 -1.26 -3.25 135.00 133.06 1bfy s PRO 40 Ca 0.52 2.35 -0.01 0.00 0.04 0.00 0.00 61.00 63.90 1bfy s PRO 40 Cb -0.33 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1bfy s PRO 40 CO 0.38 -0.55 0.86 1.28 0.04 0.00 0.00 177.00 179.01 1bfy n LEU 41 N 3.41 -3.54 0.00 -3.56 4.77 -1.26 -4.96 117.00 111.85 1bfy n LEU 41 Ca 0.11 -0.72 -0.04 0.00 -0.03 0.00 0.00 56.01 55.34 1bfy n LEU 41 Cb 0.39 -2.89 0.02 0.00 -2.33 0.00 0.00 43.42 38.60 1bfy n LEU 41 CO 0.61 0.40 0.44 0.00 -1.33 0.00 0.00 177.39 177.51 1bfy n GLY 43 N -0.41 1.58 3.13 0.00 0.00 -1.26 -4.80 105.19 103.43 1bfy n GLY 43 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 0.19 0.19 0.00 1.61 -7.23 -1.26 -4.14 120.40 109.76 1bfy s VAL 44 Ca 0.00 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1bfy s VAL 44 Cb 0.00 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.47 1bfy s VAL 44 CO 0.00 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.53 1bfy n GLY 45 N 0.05 4.58 2.90 2.32 0.00 -1.26 -4.84 105.19 108.94 1bfy n GLY 45 Ca -0.14 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 1bfy n GLY 45 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bfy n LYS 46 N -1.86 0.80 0.00 1.61 2.85 -1.26 -4.12 118.16 116.18 1bfy n LYS 46 Ca 0.00 -1.59 0.00 0.00 -1.05 0.00 0.00 58.31 55.67 1bfy n LYS 46 Cb 0.00 2.01 0.00 0.00 -0.65 0.00 0.00 35.03 36.39 1bfy n LYS 46 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1bfy n ASP 47 N -1.35 0.00 0.27 -5.58 -0.08 -1.26 -4.11 116.55 104.44 1bfy n ASP 47 Ca -0.06 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.40 1bfy n ASP 47 Cb 0.45 0.00 0.93 0.00 2.34 0.00 0.00 41.12 44.85 1bfy n ASP 47 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1bfy h GLN 48 N 0.00 0.00 -6.26 -0.67 4.15 -1.97 -3.43 115.11 106.93 1bfy h GLN 48 Ca 0.00 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.80 1bfy h GLN 48 Cb 0.00 0.00 0.14 0.00 0.21 0.00 0.00 27.48 27.83 1bfy h GLN 48 CO 0.00 0.00 -0.40 1.19 -1.93 0.00 0.00 178.83 177.69 1bfy n PHE 49 N -3.37 -0.39 -2.03 3.99 3.01 -1.26 -4.92 117.46 112.49 1bfy n PHE 49 Ca -0.01 0.68 -0.32 0.00 1.01 0.00 0.00 57.45 58.81 1bfy n PHE 49 Cb 0.27 -2.00 0.01 0.00 -0.01 0.00 0.00 39.48 37.75 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 -1.42 3.36 0.05 -1.08 8.01 -0.84 -4.75 118.70 122.02 1bfy s GLU 50 Ca 0.62 1.13 -0.27 0.00 0.01 0.00 0.00 54.97 56.47 1bfy s GLU 50 Cb -0.68 -2.04 -0.05 0.00 -4.31 0.00 0.00 34.13 27.05 1bfy s GLU 50 CO 0.59 -0.77 0.84 -2.00 0.01 0.00 0.00 175.26 173.92 1bfy s GLU 51 N -4.21 4.56 -0.32 1.61 2.12 -1.26 0.10 118.70 121.30 1bfy s GLU 51 Ca 0.62 1.20 -0.18 0.00 0.36 0.00 0.00 54.97 56.97 1bfy s GLU 51 Cb -0.15 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1bfy s GLU 51 CO 0.39 0.22 0.50 0.08 -0.54 0.00 0.00 175.26 175.91 1bfy s VAL 52 N 0.11 5.04 -0.61 3.70 1.01 0.64 -4.80 120.40 125.49 1bfy s VAL 52 Ca 0.42 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.85 1bfy s VAL 52 Cb -0.21 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1bfy s VAL 52 CO 0.25 -0.11 2.12 -1.84 0.00 0.00 0.00 175.10 175.52 1bfy n GLU 53 N 5.66 1.74 0.00 2.72 0.28 -1.26 -3.40 120.64 126.39 1bfy n GLU 53 Ca -0.05 -1.16 0.13 0.00 -0.16 0.00 0.00 57.16 55.92 1bfy n GLU 53 Cb 0.49 -2.23 0.29 0.00 1.43 0.00 0.00 31.44 31.42 1bfy n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36