#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 -2.29 -1.36 3.17 5.02 -1.26 -4.89 118.16 116.55 1bfy n LYS 2 Ca 0.00 1.65 -0.29 0.00 -2.02 0.00 0.00 58.31 57.65 1bfy n LYS 2 Cb 0.00 -2.84 0.16 0.00 -0.02 0.00 0.00 35.03 32.33 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 -2.78 0.70 -0.06 1.97 1.02 -1.20 -4.40 119.74 114.99 1bfy s LYS 3 Ca 0.00 0.36 -0.13 0.00 0.02 0.00 0.00 55.97 56.22 1bfy s LYS 3 Cb 0.00 -1.78 0.03 0.00 -0.52 0.00 0.00 37.83 35.55 1bfy s LYS 3 CO 0.00 -2.51 0.31 0.71 -0.92 0.00 0.00 175.35 172.94 1bfy s TYR 4 N -3.14 -0.25 1.00 3.18 2.02 -0.41 -0.30 117.35 119.45 1bfy s TYR 4 Ca 0.65 0.51 -0.13 0.00 -0.37 0.00 0.00 57.07 57.73 1bfy s TYR 4 Cb -0.16 0.10 0.19 0.00 -0.40 0.00 0.00 41.96 41.68 1bfy s TYR 4 CO 0.55 -0.29 1.11 0.95 -1.57 0.00 0.00 175.55 176.30 1bfy s THR 5 N -0.69 1.97 0.36 -0.71 -4.23 0.76 -0.47 115.64 112.65 1bfy s THR 5 Ca -0.08 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.51 1bfy s THR 5 Cb -0.04 -2.57 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 1bfy s THR 5 CO 0.02 0.00 0.27 0.00 -0.54 0.00 0.00 174.62 174.37 1bfy h THR 7 N 1.28 0.39 0.00 0.00 1.35 -1.81 -3.38 112.91 110.74 1bfy h THR 7 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1bfy h THR 7 Cb 1.26 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1bfy h THR 7 CO 0.60 0.00 -0.18 1.33 -0.25 0.00 0.00 175.52 177.02 1bfy n VAL 8 N -5.41 0.00 -3.83 6.82 0.24 -1.26 -5.09 118.33 109.80 1bfy n VAL 8 Ca 0.06 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.01 1bfy n VAL 8 Cb 0.31 0.39 -0.13 0.00 -1.47 0.00 0.00 33.84 32.95 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 4.86 3.08 0.46 0.00 0.00 -1.26 -3.85 105.19 108.48 1bfy n GLY 10 Ca -0.17 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 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 3.15 0.00 -0.92 1.61 4.01 -1.26 -5.15 117.16 118.61 1bfy n TYR 11 Ca 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 1bfy n TYR 11 Cb 0.49 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1bfy n TYR 11 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1bfy n ILE 12 N -3.32 -3.96 -2.57 -0.72 5.41 -1.25 -4.97 119.36 107.98 1bfy n ILE 12 Ca -0.22 1.27 -0.39 0.00 1.00 0.00 0.00 62.75 64.41 1bfy n ILE 12 Cb 0.68 -2.41 -0.05 0.00 -0.71 0.00 0.00 39.64 37.15 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 -1.22 3.60 -0.18 1.39 6.14 0.38 -4.90 117.35 122.57 1bfy s TYR 13 Ca 0.00 1.74 0.00 0.00 0.64 0.00 0.00 57.07 59.45 1bfy s TYR 13 Cb 0.00 -3.16 0.04 0.00 0.42 0.00 0.00 41.96 39.26 1bfy s TYR 13 CO 0.00 -0.31 -0.09 1.21 0.64 0.00 0.00 175.55 177.00 1bfy s ASN 14 N -1.14 3.12 0.18 4.32 3.84 -1.26 -1.29 114.94 122.71 1bfy s ASN 14 Ca 0.47 -0.76 -0.09 0.00 0.21 0.00 0.00 52.86 52.69 1bfy s ASN 14 Cb -0.28 -1.13 0.05 0.00 -0.55 0.00 0.00 41.25 39.35 1bfy s ASN 14 CO 0.35 -0.14 1.59 1.55 -2.79 0.00 0.00 177.10 177.66 1bfy h PRO 15 N 8.03 1.00 -0.20 0.43 0.13 -1.80 0.34 132.00 139.94 1bfy h PRO 15 Ca -0.28 -0.39 0.03 0.00 -0.87 0.00 0.00 66.00 64.49 1bfy h PRO 15 Cb 1.11 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1bfy h PRO 15 CO 0.46 1.07 0.13 0.93 -0.23 0.00 0.00 178.00 180.36 1bfy h GLU 16 N 0.88 0.14 0.03 0.86 5.08 -1.92 0.52 114.58 120.16 1bfy h GLU 16 Ca 0.13 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.19 1bfy h GLU 16 Cb 0.71 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1bfy h GLU 16 CO 0.05 0.09 -1.64 -0.44 -1.00 0.00 0.00 179.01 176.07 1bfy h ASP 17 N 0.14 0.08 -0.32 1.42 3.32 -1.86 -3.32 116.42 115.89 1bfy h ASP 17 Ca 0.08 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1bfy h ASP 17 Cb 0.16 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1bfy h ASP 17 CO -0.01 1.14 0.00 0.61 -1.72 0.00 0.00 179.24 179.26 1bfy n GLY 18 N 1.59 0.14 2.25 2.75 0.00 0.12 -3.84 105.19 108.20 1bfy n GLY 18 Ca -0.17 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.37 1.06 0.16 1.61 8.00 0.91 -4.60 116.55 121.31 1bfy n ASP 19 Ca 0.00 -3.03 0.04 0.00 0.71 0.00 0.00 54.79 52.52 1bfy n ASP 19 Cb 0.00 -0.62 0.47 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.17 -0.09 -0.24 0.13 -1.10 0.13 132.00 134.12 1bfy h PRO 20 Ca 0.10 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1bfy h PRO 20 Cb 0.92 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1bfy h PRO 20 CO 0.52 0.25 0.06 -0.44 -0.23 0.00 0.00 178.00 178.17 1bfy h ASP 21 N 0.17 0.07 0.23 1.44 5.19 -1.94 -2.34 116.42 119.25 1bfy h ASP 21 Ca 0.04 -0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.17 1bfy h ASP 21 Cb 0.24 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.68 1bfy h ASP 21 CO 0.01 0.05 -2.02 0.59 -3.12 0.00 0.00 179.24 174.76 1bfy n ASN 22 N -4.52 0.35 0.00 6.45 3.02 -0.16 -4.99 115.26 115.41 1bfy n ASN 22 Ca -0.01 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1bfy n ASN 22 Cb 0.11 0.73 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 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 0.27 3.15 7.41 0.00 0.25 -4.94 105.19 112.91 1bfy n GLY 23 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.53 2.66 0.77 1.61 1.01 -0.10 -4.90 120.40 120.93 1bfy s VAL 24 Ca 0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 1bfy s VAL 24 Cb 0.00 -2.46 0.06 0.00 0.00 0.00 0.00 36.38 33.99 1bfy s VAL 24 CO 0.00 0.05 1.16 0.20 0.00 0.00 0.00 175.10 176.51 1bfy s ASN 25 N 1.23 4.08 0.65 3.32 0.01 -1.26 -0.06 114.94 122.92 1bfy s ASN 25 Ca -0.04 2.16 -0.18 0.00 -0.71 0.00 0.00 52.86 54.10 1bfy s ASN 25 Cb -0.18 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 38.90 1bfy s ASN 25 CO -0.04 -2.33 1.28 -0.81 -1.51 0.00 0.00 177.10 173.69 1bfy n PRO 26 N -3.18 1.08 -1.12 -0.60 -0.04 -1.25 -2.76 135.00 127.13 1bfy n PRO 26 Ca 0.12 0.43 -0.04 0.00 -0.04 0.00 0.00 63.50 63.96 1bfy n PRO 26 Cb 0.51 -2.51 -0.02 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 0.94 0.69 3.61 0.55 0.00 0.17 -4.86 105.19 106.30 1bfy n GLY 27 Ca 0.16 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 4.94 0.28 2.61 2.01 -1.11 -4.95 115.64 117.38 1bfy s THR 28 Ca 0.00 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.73 1bfy s THR 28 Cb 0.00 -3.99 -0.12 0.00 0.01 0.00 0.00 72.50 68.40 1bfy s THR 28 CO 0.00 -0.08 1.62 -0.67 -0.69 0.00 0.00 174.62 174.80 1bfy n ASP 29 N 5.85 3.88 -0.40 3.53 -0.08 -1.26 -4.53 116.55 123.54 1bfy n ASP 29 Ca -0.00 1.13 0.33 0.00 -1.51 0.00 0.00 54.79 54.73 1bfy n ASP 29 Cb 0.49 -1.59 0.60 0.00 2.34 0.00 0.00 41.12 42.96 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 5.18 0.63 -0.36 -0.67 3.04 -1.90 0.26 116.94 123.13 1bfy h PHE 30 Ca -0.46 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.38 1bfy h PHE 30 Cb 1.22 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.56 1bfy h PHE 30 CO 0.59 -0.20 -0.31 1.57 -2.02 0.00 0.00 178.31 177.95 1bfy h LYS 31 N 0.15 0.77 0.00 1.11 2.10 -1.97 -2.96 116.57 115.78 1bfy h LYS 31 Ca 0.78 -0.36 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1bfy h LYS 31 Cb 2.27 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.59 1bfy h LYS 31 CO -0.47 0.98 0.00 -0.44 -2.00 0.00 0.00 179.45 177.52 1bfy h ASP 32 N 0.65 0.00 -2.68 7.07 5.19 -0.90 -3.45 116.42 122.31 1bfy h ASP 32 Ca 0.07 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.91 1bfy h ASP 32 Cb 0.85 0.00 0.08 0.00 0.18 0.00 0.00 39.33 40.43 1bfy h ASP 32 CO 0.07 0.00 0.71 -0.38 -3.12 0.00 0.00 179.24 176.52 1bfy n ILE 33 N -2.70 0.71 -1.91 0.35 5.41 -0.44 -4.91 119.36 115.87 1bfy n ILE 33 Ca 0.04 -0.18 -0.41 0.00 1.00 0.00 0.00 62.75 63.20 1bfy n ILE 33 Cb 0.42 -1.58 -0.02 0.00 -0.71 0.00 0.00 39.64 37.76 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 -0.07 4.20 0.00 0.38 0.04 -1.26 -4.87 135.00 133.41 1bfy s PRO 34 Ca 0.70 2.44 0.17 0.00 0.04 0.00 0.00 61.00 64.35 1bfy s PRO 34 Cb -0.63 -3.04 0.92 0.00 0.04 0.00 0.00 34.50 31.79 1bfy s PRO 34 CO 0.46 -0.47 1.51 -0.25 0.04 0.00 0.00 177.00 178.29 1bfy n ASP 35 N 1.57 0.00 0.25 6.66 9.92 -1.26 -0.60 116.55 133.09 1bfy n ASP 35 Ca 0.05 -0.08 0.13 0.00 -0.53 0.00 0.00 54.79 54.36 1bfy n ASP 35 Cb 0.39 -0.23 0.60 0.00 -0.64 0.00 0.00 41.12 41.25 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 -1.94 -3.47 116.42 107.95 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 0.13 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.75 1bfy h ASP 36 CO 0.00 0.13 0.40 0.86 -1.72 0.00 0.00 179.24 178.91 1bfy s TRP 37 N -3.76 2.76 0.05 4.55 -0.00 0.23 -5.02 118.94 117.74 1bfy s TRP 37 Ca -0.00 1.54 0.06 0.00 -0.00 0.00 0.00 56.10 57.71 1bfy s TRP 37 Cb 0.10 -3.17 -0.03 0.00 -0.00 0.00 0.00 33.47 30.38 1bfy s TRP 37 CO 0.59 -1.42 -0.17 0.08 -0.00 0.00 0.00 176.95 176.03 1bfy s VAL 38 N -2.09 1.38 0.70 5.86 1.01 -1.26 -4.19 120.40 121.81 1bfy s VAL 38 Ca 0.69 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1bfy s VAL 38 Cb -0.20 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1bfy s VAL 38 CO 0.32 0.04 1.06 0.00 0.00 0.00 0.00 175.10 176.52 1bfy s PRO 40 N -5.11 3.96 -0.86 0.00 0.04 -1.26 -3.04 135.00 128.74 1bfy s PRO 40 Ca 0.58 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.62 1bfy s PRO 40 Cb -0.13 -4.04 -0.01 0.00 0.04 0.00 0.00 34.50 30.36 1bfy s PRO 40 CO 0.54 -1.11 0.72 1.28 0.04 0.00 0.00 177.00 178.48 1bfy n LEU 41 N 7.96 -3.70 0.00 -3.56 4.77 -1.26 -5.03 117.00 116.18 1bfy n LEU 41 Ca 0.19 -0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 55.53 1bfy n LEU 41 Cb 0.44 -2.44 -0.06 0.00 -2.33 0.00 0.00 43.42 39.02 1bfy n LEU 41 CO 0.64 0.24 -0.01 0.00 -1.33 0.00 0.00 177.39 176.93 1bfy n GLY 43 N -0.60 -0.29 3.77 0.00 0.00 -1.26 -4.84 105.19 101.96 1bfy n GLY 43 Ca 0.05 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.44 3.02 -0.22 1.61 -7.23 -1.26 -4.92 120.40 109.96 1bfy s VAL 44 Ca -0.05 0.33 0.02 0.00 -1.81 0.00 0.00 61.98 60.47 1bfy s VAL 44 Cb 0.01 -2.96 0.04 0.00 0.56 0.00 0.00 36.38 34.03 1bfy s VAL 44 CO 0.08 -0.43 -0.13 -0.83 -0.31 0.00 0.00 175.10 173.47 1bfy s GLY 45 N -3.68 1.46 0.00 2.32 0.00 -1.26 -4.16 107.32 102.01 1bfy s GLY 45 Ca 0.61 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1bfy s GLY 45 CO 0.55 0.55 0.00 0.28 0.00 0.00 0.00 173.10 174.49 1bfy n LYS 46 N 4.56 0.00 0.00 2.90 5.02 -1.26 -4.86 118.16 124.52 1bfy n LYS 46 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1bfy n LYS 46 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1bfy n LYS 46 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1bfy n ASP 47 N 2.98 0.00 -3.92 4.39 8.00 -1.26 -4.29 116.55 122.44 1bfy n ASP 47 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1bfy n ASP 47 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 1bfy n ASP 47 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1bfy s GLN 48 N 0.00 1.65 -0.22 -1.24 0.74 -1.26 -5.10 119.66 114.23 1bfy s GLN 48 Ca 0.00 -0.51 -0.04 0.00 0.05 0.00 0.00 55.36 54.86 1bfy s GLN 48 Cb 0.00 -1.98 0.11 0.00 1.10 0.00 0.00 33.01 32.24 1bfy s GLN 48 CO 0.00 -0.37 0.35 -0.59 -0.55 0.00 0.00 175.29 174.13 1bfy s PHE 49 N 1.60 -0.69 0.29 1.67 -0.71 -1.26 -3.19 117.98 115.68 1bfy s PHE 49 Ca 0.02 0.86 -0.22 0.00 -1.04 0.00 0.00 56.93 56.55 1bfy s PHE 49 Cb -0.14 -0.00 -0.09 0.00 -1.21 0.00 0.00 43.02 41.57 1bfy s PHE 49 CO -0.08 -0.62 0.83 -1.21 -1.34 0.00 0.00 175.22 172.80 1bfy s GLU 50 N 2.51 4.36 0.23 1.99 2.02 -1.26 -4.79 118.70 123.75 1bfy s GLU 50 Ca 0.08 1.05 -0.30 0.00 0.02 0.00 0.00 54.97 55.83 1bfy s GLU 50 Cb -0.15 -2.73 -0.09 0.00 0.10 0.00 0.00 34.13 31.26 1bfy s GLU 50 CO -0.14 0.28 1.20 -2.00 0.02 0.00 0.00 175.26 174.63 1bfy s GLU 51 N -2.22 4.50 -0.46 1.61 2.12 -1.26 -0.17 118.70 122.81 1bfy s GLU 51 Ca 0.49 1.93 -0.13 0.00 0.36 0.00 0.00 54.97 57.61 1bfy s GLU 51 Cb -0.16 -3.20 0.08 0.00 0.26 0.00 0.00 34.13 31.11 1bfy s GLU 51 CO 0.21 -0.05 0.36 0.08 -0.54 0.00 0.00 175.26 175.32 1bfy s VAL 52 N -0.44 4.87 -1.05 3.70 1.01 0.60 -4.84 120.40 124.25 1bfy s VAL 52 Ca 0.51 -1.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 1bfy s VAL 52 Cb -0.34 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.11 1bfy s VAL 52 CO 0.40 -0.59 1.58 -1.83 0.00 0.00 0.00 175.10 174.65 1bfy s GLU 53 N 1.56 3.46 0.00 2.72 -1.05 -1.26 -3.28 118.70 120.85 1bfy s GLU 53 Ca 0.04 -1.12 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 1bfy s GLU 53 Cb -0.25 -5.34 0.00 0.00 -0.44 0.00 0.00 34.13 28.11 1bfy s GLU 53 CO 0.05 -2.44 0.30 -0.85 0.95 0.00 0.00 175.26 173.27