#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 -2.45 -1.43 3.17 5.02 -1.26 -4.89 118.16 116.32 1bfy n LYS 2 Ca 0.00 1.73 -0.29 0.00 -2.02 0.00 0.00 58.31 57.73 1bfy n LYS 2 Cb 0.00 -3.00 0.15 0.00 -0.02 0.00 0.00 35.03 32.16 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 -2.63 0.80 -0.02 1.97 1.02 -1.22 -4.38 119.74 115.28 1bfy s LYS 3 Ca 0.00 0.30 -0.03 0.00 0.02 0.00 0.00 55.97 56.26 1bfy s LYS 3 Cb 0.00 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 1bfy s LYS 3 CO 0.00 -2.43 0.07 0.71 -0.92 0.00 0.00 175.35 172.78 1bfy s TYR 4 N -3.21 -0.04 0.30 3.18 1.51 -0.21 -0.33 117.35 118.55 1bfy s TYR 4 Ca 0.65 0.11 -0.28 0.00 -1.01 0.00 0.00 57.07 56.54 1bfy s TYR 4 Cb -0.15 0.00 -0.09 0.00 -0.11 0.00 0.00 41.96 41.61 1bfy s TYR 4 CO 0.54 -0.07 0.99 0.99 -1.11 0.00 0.00 175.55 176.89 1bfy s THR 5 N -0.20 3.96 0.14 -0.71 2.01 0.56 -0.63 115.64 120.76 1bfy s THR 5 Ca -0.03 1.77 -0.30 0.00 0.31 0.00 0.00 61.69 63.45 1bfy s THR 5 Cb -0.02 -4.05 -0.06 0.00 0.01 0.00 0.00 72.50 68.38 1bfy s THR 5 CO 0.00 0.27 0.97 0.00 -0.69 0.00 0.00 174.62 175.18 1bfy h THR 7 N 3.88 0.09 -0.08 0.00 2.02 -1.95 -3.36 112.91 113.51 1bfy h THR 7 Ca -0.43 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.57 1bfy h THR 7 Cb 1.21 0.09 -0.23 0.00 -1.74 0.00 0.00 68.15 67.48 1bfy h THR 7 CO 0.71 0.00 -0.55 0.55 0.37 0.00 0.00 175.52 176.61 1bfy n VAL 8 N -5.40 0.25 0.03 3.16 3.14 -1.26 -4.96 118.33 113.28 1bfy n VAL 8 Ca 0.01 -1.10 0.00 0.00 -2.96 0.00 0.00 64.34 60.29 1bfy n VAL 8 Cb 0.35 0.92 0.00 0.00 -1.06 0.00 0.00 33.84 34.05 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 3.32 0.62 2.46 0.00 0.00 -1.26 -5.10 105.19 105.24 1bfy n GLY 10 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.26 0.89 0.12 1.61 5.04 -1.26 -5.01 117.35 118.48 1bfy s TYR 11 Ca 0.00 -1.84 -0.33 0.00 -2.44 0.00 0.00 57.07 52.46 1bfy s TYR 11 Cb 0.00 -0.98 -0.12 0.00 0.35 0.00 0.00 41.96 41.21 1bfy s TYR 11 CO 0.00 -0.82 1.72 -0.89 -1.34 0.00 0.00 175.55 174.22 1bfy n ILE 12 N 3.73 0.19 -2.82 3.14 5.41 -1.26 -4.15 119.36 123.61 1bfy n ILE 12 Ca 0.16 -0.03 -0.40 0.00 1.00 0.00 0.00 62.75 63.47 1bfy n ILE 12 Cb 0.39 -1.82 -0.05 0.00 -0.71 0.00 0.00 39.64 37.45 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 1.95 3.88 -0.23 1.39 6.14 0.20 -4.92 117.35 125.76 1bfy s TYR 13 Ca 0.81 1.76 0.02 0.00 0.64 0.00 0.00 57.07 60.30 1bfy s TYR 13 Cb -0.60 -2.95 0.05 0.00 0.42 0.00 0.00 41.96 38.89 1bfy s TYR 13 CO 0.39 0.35 -0.10 1.21 0.64 0.00 0.00 175.55 178.04 1bfy s ASN 14 N -0.59 3.86 0.25 4.32 2.47 -1.26 -1.04 114.94 122.95 1bfy s ASN 14 Ca 0.42 -1.12 -0.03 0.00 0.42 0.00 0.00 52.86 52.55 1bfy s ASN 14 Cb -0.24 -1.36 0.30 0.00 -1.45 0.00 0.00 41.25 38.50 1bfy s ASN 14 CO 0.29 -0.17 1.75 1.55 -3.72 0.00 0.00 177.10 176.80 1bfy h PRO 15 N 7.89 0.84 -0.34 0.43 0.13 -1.80 0.19 132.00 139.34 1bfy h PRO 15 Ca -0.24 -0.22 0.05 0.00 -0.87 0.00 0.00 66.00 64.71 1bfy h PRO 15 Cb 1.07 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1bfy h PRO 15 CO 0.47 0.83 0.23 0.93 -0.23 0.00 0.00 178.00 180.23 1bfy h GLU 16 N 0.79 0.25 0.05 0.86 5.08 -1.92 0.49 114.58 120.17 1bfy h GLU 16 Ca 0.15 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.20 1bfy h GLU 16 Cb 0.45 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1bfy h GLU 16 CO 0.02 0.17 -1.62 -0.44 -1.00 0.00 0.00 179.01 176.14 1bfy h ASP 17 N 0.26 0.15 0.00 1.42 3.32 -1.75 -3.31 116.42 116.51 1bfy h ASP 17 Ca 0.15 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1bfy h ASP 17 Cb 0.26 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1bfy h ASP 17 CO -0.03 1.23 0.00 0.61 -1.72 0.00 0.00 179.24 179.33 1bfy n GLY 18 N 1.62 0.54 2.28 2.75 0.00 0.62 -3.87 105.19 109.12 1bfy n GLY 18 Ca -0.17 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.28 0.21 0.05 1.61 8.00 0.79 -4.65 116.55 120.27 1bfy n ASP 19 Ca 0.00 -3.09 0.03 0.00 0.71 0.00 0.00 54.79 52.44 1bfy n ASP 19 Cb 0.00 -0.19 0.40 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.43 -0.27 -0.24 0.13 -1.19 0.39 132.00 134.38 1bfy h PRO 20 Ca 0.06 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.19 1bfy h PRO 20 Cb 0.98 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1bfy h PRO 20 CO 0.44 0.39 0.19 -0.44 -0.23 0.00 0.00 178.00 178.34 1bfy h ASP 21 N 0.43 0.11 0.40 1.44 5.19 -1.95 -1.29 116.42 120.74 1bfy h ASP 21 Ca 0.10 -0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.22 1bfy h ASP 21 Cb 0.14 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.58 1bfy h ASP 21 CO -0.01 0.07 -1.83 0.59 -3.12 0.00 0.00 179.24 174.95 1bfy n ASN 22 N -4.48 0.67 0.00 6.45 3.02 -0.19 -4.98 115.26 115.75 1bfy n ASN 22 Ca 0.03 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1bfy n ASN 22 Cb 0.26 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 1.57 -0.25 3.50 7.41 0.00 -0.07 -5.02 105.19 112.33 1bfy n GLY 23 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.19 4.95 0.74 1.61 1.01 -0.10 -4.83 120.40 123.60 1bfy s VAL 24 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 1bfy s VAL 24 Cb 0.00 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.29 1bfy s VAL 24 CO 0.00 -0.53 1.19 0.20 0.00 0.00 0.00 175.10 175.97 1bfy s ASN 25 N 1.94 4.16 0.62 3.32 0.01 -1.26 -0.15 114.94 123.59 1bfy s ASN 25 Ca 0.17 2.30 -0.19 0.00 -0.71 0.00 0.00 52.86 54.44 1bfy s ASN 25 Cb -0.16 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.90 1bfy s ASN 25 CO 0.16 -2.28 1.25 -0.81 -1.51 0.00 0.00 177.10 173.91 1bfy n PRO 26 N -2.85 1.18 -1.12 -0.60 -0.04 -1.25 -2.77 135.00 127.55 1bfy n PRO 26 Ca 0.13 0.46 -0.04 0.00 -0.04 0.00 0.00 63.50 64.00 1bfy n PRO 26 Cb 0.51 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 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 0.96 0.70 3.61 0.55 0.00 0.16 -4.87 105.19 106.30 1bfy n GLY 27 Ca 0.15 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.10 5.05 0.42 2.61 2.01 -1.11 -4.95 115.64 117.56 1bfy s THR 28 Ca 0.00 0.86 -0.26 0.00 0.31 0.00 0.00 61.69 62.60 1bfy s THR 28 Cb 0.00 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 1bfy s THR 28 CO 0.00 0.04 1.31 -0.62 -0.69 0.00 0.00 174.62 174.66 1bfy s ASP 29 N 1.57 6.22 0.47 3.53 -1.08 -1.26 -4.55 116.67 121.57 1bfy s ASP 29 Ca 0.22 2.67 0.27 0.00 -0.52 0.00 0.00 52.55 55.18 1bfy s ASP 29 Cb -0.16 -2.64 1.32 0.00 -1.46 0.00 0.00 42.92 39.98 1bfy s ASP 29 CO 0.10 -0.91 1.81 0.15 0.52 0.00 0.00 175.17 176.83 1bfy h PHE 30 N 2.56 0.32 -0.39 -5.34 3.04 -1.90 0.31 116.94 115.55 1bfy h PHE 30 Ca -0.50 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.36 1bfy h PHE 30 Cb 1.25 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.65 1bfy h PHE 30 CO 0.53 0.03 -0.19 1.57 -2.02 0.00 0.00 178.31 178.23 1bfy h LYS 31 N 0.20 0.75 0.00 1.11 2.10 -1.98 -3.01 116.57 115.74 1bfy h LYS 31 Ca 0.55 -0.28 -0.02 0.00 -2.00 0.00 0.00 60.65 58.90 1bfy h LYS 31 Cb 1.77 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 33.05 1bfy h LYS 31 CO -0.14 0.88 -0.09 -0.44 -2.00 0.00 0.00 179.45 177.66 1bfy h ASP 32 N 0.66 0.00 -2.67 7.07 3.32 -0.76 -3.45 116.42 120.59 1bfy h ASP 32 Ca 0.10 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.57 1bfy h ASP 32 Cb 0.68 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.30 1bfy h ASP 32 CO 0.05 0.09 0.70 -0.38 -1.72 0.00 0.00 179.24 177.97 1bfy n ILE 33 N -3.14 0.74 -1.74 0.35 5.41 -0.78 -4.91 119.36 115.29 1bfy n ILE 33 Ca 0.03 -0.18 -0.42 0.00 1.00 0.00 0.00 62.75 63.17 1bfy n ILE 33 Cb 0.51 -1.56 -0.02 0.00 -0.71 0.00 0.00 39.64 37.86 1bfy n ILE 33 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1bfy n PRO 34 N 2.38 2.68 0.00 0.38 -0.02 -1.26 -4.87 135.00 134.29 1bfy n PRO 34 Ca 0.12 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.67 1bfy n PRO 34 Cb 0.32 -2.74 0.60 0.00 -0.02 0.00 0.00 33.50 31.66 1bfy n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bfy n ASP 35 N 2.27 0.00 0.06 2.55 9.92 -1.26 -0.75 116.55 129.34 1bfy n ASP 35 Ca 0.09 -0.26 0.12 0.00 -0.53 0.00 0.00 54.79 54.21 1bfy n ASP 35 Cb 0.36 -0.19 0.47 0.00 -0.64 0.00 0.00 41.12 41.12 1bfy n ASP 35 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1bfy n ASP 36 N -1.19 0.39 -4.76 -2.24 5.68 -1.26 -4.76 116.55 108.40 1bfy n ASP 36 Ca 0.13 0.56 -0.36 0.00 -0.50 0.00 0.00 54.79 54.61 1bfy n ASP 36 Cb 0.14 -0.65 0.02 0.00 -1.14 0.00 0.00 41.12 39.49 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 -3.09 2.57 0.04 2.11 -0.00 0.07 -5.04 118.94 115.59 1bfy s TRP 37 Ca 0.10 1.52 0.07 0.00 -0.00 0.00 0.00 56.10 57.78 1bfy s TRP 37 Cb 0.13 -3.43 -0.02 0.00 -0.00 0.00 0.00 33.47 30.15 1bfy s TRP 37 CO 0.48 -1.93 -0.19 0.08 -0.00 0.00 0.00 176.95 175.38 1bfy s VAL 38 N -1.61 1.52 0.03 5.86 1.01 -1.26 -3.83 120.40 122.11 1bfy s VAL 38 Ca 0.73 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 1bfy s VAL 38 Cb -0.29 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1bfy s VAL 38 CO 0.33 0.19 0.85 0.00 0.00 0.00 0.00 175.10 176.47 1bfy s PRO 40 N 0.39 4.82 -1.69 0.00 0.04 -1.26 -3.52 135.00 133.78 1bfy s PRO 40 Ca 0.44 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 1bfy s PRO 40 Cb -0.21 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1bfy s PRO 40 CO 0.25 0.46 0.22 -0.11 0.04 0.00 0.00 177.00 177.86 1bfy n LEU 41 N 1.48 -2.21 0.00 -3.56 7.94 -1.26 -4.90 117.00 114.49 1bfy n LEU 41 Ca -0.02 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 1bfy n LEU 41 Cb 0.47 -2.93 0.00 0.00 0.53 0.00 0.00 43.42 41.49 1bfy n LEU 41 CO 0.51 -0.05 0.00 0.00 -1.11 0.00 0.00 177.39 176.73 1bfy n GLY 43 N 3.59 3.11 4.83 0.00 0.00 -1.26 -5.07 105.19 110.39 1bfy n GLY 43 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.82 1bfy n GLY 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bfy n VAL 44 N 0.00 0.00 0.00 1.61 3.14 -1.26 -4.90 118.33 116.92 1bfy n VAL 44 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1bfy n VAL 44 Cb 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 1bfy n VAL 44 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bfy n GLY 45 N -0.48 3.18 3.91 7.55 0.00 -1.26 -1.84 105.19 116.24 1bfy n GLY 45 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 3.37 2.38 0.00 1.61 1.02 -1.25 -4.69 119.74 122.18 1bfy s LYS 46 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1bfy s LYS 46 Cb 0.00 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1bfy s LYS 46 CO 0.00 -1.24 0.00 -0.40 -0.92 0.00 0.00 175.35 172.79 1bfy n ASP 47 N -3.04 0.00 0.00 2.83 5.68 -1.26 -5.02 116.55 115.75 1bfy n ASP 47 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1bfy n ASP 47 Cb 0.59 0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.79 1bfy n ASP 47 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1bfy n GLN 48 N -1.68 0.43 -1.08 0.11 -0.06 -1.26 -5.16 117.38 108.68 1bfy n GLN 48 Ca 0.00 0.00 0.13 0.00 -2.00 0.00 0.00 57.00 55.13 1bfy n GLN 48 Cb 0.00 -0.90 -0.04 0.00 -4.06 0.00 0.00 30.24 25.24 1bfy n GLN 48 CO 0.00 0.00 0.00 1.97 -0.20 0.00 0.00 177.06 178.83 1bfy n PHE 49 N -2.22 -2.49 -3.93 3.69 1.16 -1.26 -4.98 117.46 107.43 1bfy n PHE 49 Ca 0.00 1.28 -0.14 0.00 -1.87 0.00 0.00 57.45 56.72 1bfy n PHE 49 Cb 0.40 -2.26 -0.15 0.00 -1.61 0.00 0.00 39.48 35.86 1bfy n PHE 49 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1bfy s GLU 50 N -2.72 0.14 0.22 3.97 2.02 -1.24 -5.02 118.70 116.09 1bfy s GLU 50 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.70 1bfy s GLU 50 Cb 0.00 -0.22 -0.08 0.00 0.10 0.00 0.00 34.13 33.93 1bfy s GLU 50 CO 0.00 -0.03 1.13 -2.00 0.02 0.00 0.00 175.26 174.38 1bfy s GLU 51 N 0.33 4.58 -0.36 1.61 2.12 -1.26 -0.32 118.70 125.39 1bfy s GLU 51 Ca -0.03 1.80 -0.15 0.00 0.36 0.00 0.00 54.97 56.95 1bfy s GLU 51 Cb -0.05 -3.23 -0.00 0.00 0.26 0.00 0.00 34.13 31.10 1bfy s GLU 51 CO -0.01 0.08 0.36 0.08 -0.54 0.00 0.00 175.26 175.23 1bfy s VAL 52 N -0.56 5.17 -0.18 3.70 1.01 0.55 -4.76 120.40 125.34 1bfy s VAL 52 Ca 0.48 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 1bfy s VAL 52 Cb -0.31 -3.86 -0.17 0.00 0.00 0.00 0.00 36.38 32.04 1bfy s VAL 52 CO 0.38 -0.16 2.66 -1.84 0.00 0.00 0.00 175.10 176.13 1bfy n GLU 53 N 5.38 1.60 0.00 2.72 0.28 -1.26 -3.45 120.64 125.90 1bfy n GLU 53 Ca -0.09 -0.86 0.08 0.00 -0.16 0.00 0.00 57.16 56.13 1bfy n GLU 53 Cb 0.49 -1.96 0.07 0.00 1.43 0.00 0.00 31.44 31.46 1bfy n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36