#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 -3.06 -1.46 3.17 5.02 -1.26 -4.90 118.16 115.66 1bfy n LYS 2 Ca 0.00 2.35 -0.29 0.00 -2.02 0.00 0.00 58.31 58.35 1bfy n LYS 2 Cb 0.00 -3.67 0.15 0.00 -0.02 0.00 0.00 35.03 31.49 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 -3.57 0.91 -0.03 1.97 1.02 -1.24 -4.46 119.74 114.35 1bfy s LYS 3 Ca 0.00 0.30 -0.10 0.00 0.02 0.00 0.00 55.97 56.19 1bfy s LYS 3 Cb 0.00 -1.81 0.01 0.00 -0.52 0.00 0.00 37.83 35.51 1bfy s LYS 3 CO 0.00 -2.35 0.22 0.71 -0.92 0.00 0.00 175.35 173.01 1bfy s TYR 4 N -3.23 -0.12 0.99 3.18 1.51 -0.41 -0.40 117.35 118.88 1bfy s TYR 4 Ca 0.65 0.22 -0.12 0.00 -1.01 0.00 0.00 57.07 56.81 1bfy s TYR 4 Cb -0.15 0.04 0.19 0.00 -0.11 0.00 0.00 41.96 41.92 1bfy s TYR 4 CO 0.54 -0.28 1.08 0.95 -1.11 0.00 0.00 175.55 176.74 1bfy s THR 5 N -0.94 2.29 0.00 -0.71 -4.23 0.70 -0.34 115.64 112.42 1bfy s THR 5 Ca -0.10 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1bfy s THR 5 Cb -0.05 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1bfy s THR 5 CO 0.02 -0.12 0.00 0.00 -0.54 0.00 0.00 174.62 173.98 1bfy n THR 7 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.00 114.28 114.68 1bfy n THR 7 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1bfy n THR 7 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1bfy n THR 7 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1bfy n VAL 8 N -1.07 0.00 -0.21 1.08 3.14 -1.26 -4.97 118.33 115.04 1bfy n VAL 8 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 1bfy n VAL 8 Cb 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 32.80 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 -0.58 0.80 3.05 0.00 0.00 -1.26 -5.10 105.19 102.09 1bfy n GLY 10 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.87 3.36 0.09 1.61 6.14 -1.26 -4.97 117.35 121.44 1bfy s TYR 11 Ca 0.00 -2.90 -0.31 0.00 0.64 0.00 0.00 57.07 54.51 1bfy s TYR 11 Cb 0.00 -3.07 -0.09 0.00 0.42 0.00 0.00 41.96 39.22 1bfy s TYR 11 CO 0.00 -0.79 1.68 0.42 0.64 0.00 0.00 175.55 177.50 1bfy s ILE 12 N -0.26 2.89 0.19 3.14 1.01 -1.26 -3.07 121.20 123.84 1bfy s ILE 12 Ca 0.18 0.39 -0.28 0.00 0.00 0.00 0.00 60.65 60.94 1bfy s ILE 12 Cb -0.21 -3.25 -0.08 0.00 0.01 0.00 0.00 42.46 38.93 1bfy s ILE 12 CO -0.03 0.00 0.88 -0.47 0.00 0.00 0.00 174.94 175.32 1bfy s TYR 13 N 2.53 3.92 -0.21 3.97 6.14 0.54 -4.92 117.35 129.33 1bfy s TYR 13 Ca 0.75 1.79 0.01 0.00 0.64 0.00 0.00 57.07 60.26 1bfy s TYR 13 Cb -0.41 -2.92 0.04 0.00 0.42 0.00 0.00 41.96 39.09 1bfy s TYR 13 CO 0.33 0.43 -0.12 1.21 0.64 0.00 0.00 175.55 178.04 1bfy s ASN 14 N -0.93 3.58 0.19 4.32 3.84 -1.26 -1.29 114.94 123.39 1bfy s ASN 14 Ca 0.40 -0.97 -0.07 0.00 0.21 0.00 0.00 52.86 52.43 1bfy s ASN 14 Cb -0.24 -1.33 0.11 0.00 -0.55 0.00 0.00 41.25 39.23 1bfy s ASN 14 CO 0.29 -0.14 1.61 1.55 -2.79 0.00 0.00 177.10 177.63 1bfy h PRO 15 N 7.93 0.92 -0.10 0.43 0.13 -1.80 0.32 132.00 139.84 1bfy h PRO 15 Ca -0.28 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1bfy h PRO 15 Cb 1.09 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1bfy h PRO 15 CO 0.49 1.01 0.07 0.93 -0.23 0.00 0.00 178.00 180.27 1bfy h GLU 16 N 0.81 0.11 0.03 0.86 5.08 -1.92 0.46 114.58 120.01 1bfy h GLU 16 Ca 0.12 -0.01 -0.28 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 0.08 -1.57 -0.44 -1.00 0.00 0.00 179.01 176.13 1bfy h ASP 17 N 0.12 0.09 0.00 1.42 3.32 -1.83 -3.31 116.42 116.23 1bfy h ASP 17 Ca 0.04 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.92 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 -0.01 1.14 0.00 0.61 -1.72 0.00 0.00 179.24 179.27 1bfy n GLY 18 N 1.57 0.57 2.19 2.75 0.00 0.11 -3.87 105.19 108.51 1bfy n GLY 18 Ca -0.15 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.79 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 0.77 0.19 1.61 8.00 0.93 -4.60 116.55 120.94 1bfy n ASP 19 Ca 0.00 -2.98 0.05 0.00 0.71 0.00 0.00 54.79 52.57 1bfy n ASP 19 Cb 0.00 -0.62 0.48 0.00 -0.02 0.00 0.00 41.12 40.96 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 3.12 0.08 -0.01 -0.24 0.13 -1.11 0.86 132.00 134.82 1bfy h PRO 20 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1bfy h PRO 20 Cb 0.96 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1bfy h PRO 20 CO 0.50 0.22 0.01 -0.44 -0.23 0.00 0.00 178.00 178.06 1bfy h ASP 21 N 0.08 0.00 0.00 1.44 5.19 -1.94 -2.52 116.42 118.66 1bfy h ASP 21 Ca 0.02 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.22 1bfy h ASP 21 Cb 0.30 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 1bfy h ASP 21 CO 0.02 0.00 -2.10 0.59 -3.12 0.00 0.00 179.24 174.63 1bfy n ASN 22 N -4.28 0.59 0.00 6.45 3.02 -0.18 -5.00 115.26 115.86 1bfy n ASN 22 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1bfy n ASN 22 Cb 0.10 1.30 0.00 0.00 -0.61 0.00 0.00 39.78 40.56 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 1.71 -0.39 3.21 7.41 0.00 0.10 -5.01 105.19 112.22 1bfy n GLY 23 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.42 3.26 0.74 1.61 1.01 -0.09 -4.89 120.40 121.61 1bfy s VAL 24 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 61.98 60.56 1bfy s VAL 24 Cb 0.00 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.57 1bfy s VAL 24 CO 0.00 -0.12 1.18 0.20 0.00 0.00 0.00 175.10 176.37 1bfy s ASN 25 N 1.31 4.22 0.62 3.32 0.01 -1.26 -0.05 114.94 123.10 1bfy s ASN 25 Ca -0.04 2.26 -0.19 0.00 -0.71 0.00 0.00 52.86 54.19 1bfy s ASN 25 Cb -0.20 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.86 1bfy s ASN 25 CO 0.00 -2.24 1.27 -0.81 -1.51 0.00 0.00 177.10 173.81 1bfy n PRO 26 N -2.86 1.23 -1.08 -0.60 -0.04 -1.25 -2.56 135.00 127.83 1bfy n PRO 26 Ca 0.13 0.47 -0.03 0.00 -0.04 0.00 0.00 63.50 64.03 1bfy n PRO 26 Cb 0.51 -2.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.46 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 0.93 0.60 3.59 0.55 0.00 0.15 -4.86 105.19 106.15 1bfy n GLY 27 Ca 0.14 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.01 4.86 0.29 2.61 2.01 -1.06 -4.95 115.64 117.39 1bfy s THR 28 Ca 0.00 0.87 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 1bfy s THR 28 Cb 0.00 -4.09 -0.12 0.00 0.01 0.00 0.00 72.50 68.30 1bfy s THR 28 CO 0.00 -0.26 1.50 -0.67 -0.69 0.00 0.00 174.62 174.50 1bfy n ASP 29 N 6.09 3.42 -0.37 3.53 -0.08 -1.26 -4.53 116.55 123.34 1bfy n ASP 29 Ca 0.01 1.16 0.29 0.00 -1.51 0.00 0.00 54.79 54.74 1bfy n ASP 29 Cb 0.48 -1.54 0.56 0.00 2.34 0.00 0.00 41.12 42.97 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 4.19 0.71 -0.42 -0.67 3.04 -1.90 0.14 116.94 122.02 1bfy h PHE 30 Ca -0.47 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.42 1bfy h PHE 30 Cb 1.25 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.56 1bfy h PHE 30 CO 0.56 -0.16 -0.08 1.57 -2.02 0.00 0.00 178.31 178.18 1bfy h LYS 31 N 0.22 0.80 0.00 1.11 2.10 -1.97 -2.94 116.57 115.88 1bfy h LYS 31 Ca 0.75 -0.30 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1bfy h LYS 31 Cb 2.04 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 33.32 1bfy h LYS 31 CO -0.48 0.91 0.00 -0.44 -2.00 0.00 0.00 179.45 177.44 1bfy h ASP 32 N 0.62 0.00 -2.40 7.07 5.19 -1.13 -3.44 116.42 122.33 1bfy h ASP 32 Ca 0.11 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.92 1bfy h ASP 32 Cb 0.61 0.00 0.07 0.00 0.18 0.00 0.00 39.33 40.19 1bfy h ASP 32 CO 0.04 0.00 0.58 -0.38 -3.12 0.00 0.00 179.24 176.36 1bfy n ILE 33 N -2.83 0.68 -2.01 0.35 5.41 -0.60 -4.91 119.36 115.45 1bfy n ILE 33 Ca 0.01 -0.17 -0.40 0.00 1.00 0.00 0.00 62.75 63.20 1bfy n ILE 33 Cb 0.31 -1.34 -0.00 0.00 -0.71 0.00 0.00 39.64 37.90 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 3.99 0.13 0.38 0.04 -1.26 -4.90 135.00 133.31 1bfy s PRO 34 Ca 0.72 2.22 0.18 0.00 0.04 0.00 0.00 61.00 64.16 1bfy s PRO 34 Cb -0.71 -2.80 0.77 0.00 0.04 0.00 0.00 34.50 31.80 1bfy s PRO 34 CO 0.47 -0.50 1.55 -0.25 0.04 0.00 0.00 177.00 178.31 1bfy n ASP 35 N 0.19 0.33 0.18 6.66 9.92 -1.26 -0.85 116.55 131.72 1bfy n ASP 35 Ca 0.03 0.59 0.14 0.00 -0.53 0.00 0.00 54.79 55.02 1bfy n ASP 35 Cb 0.43 -0.66 0.45 0.00 -0.64 0.00 0.00 41.12 40.70 1bfy n ASP 35 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1bfy h ASP 36 N 0.00 0.00 -4.01 -2.24 3.04 -1.99 -3.44 116.42 107.78 1bfy h ASP 36 Ca 0.00 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.31 1bfy h ASP 36 Cb 0.26 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.57 1bfy h ASP 36 CO 0.00 0.00 0.40 0.86 -2.04 0.00 0.00 179.24 178.46 1bfy s TRP 37 N -3.33 3.17 0.16 4.15 -0.00 -0.03 -5.04 118.94 118.03 1bfy s TRP 37 Ca 0.06 1.62 0.04 0.00 -0.00 0.00 0.00 56.10 57.82 1bfy s TRP 37 Cb 0.09 -3.10 -0.05 0.00 -0.00 0.00 0.00 33.47 30.42 1bfy s TRP 37 CO 0.54 -0.69 -0.08 0.08 -0.00 0.00 0.00 176.95 176.80 1bfy s VAL 38 N -1.79 1.14 0.37 5.86 1.01 -1.26 -3.47 120.40 122.25 1bfy s VAL 38 Ca 0.61 -2.06 -0.24 0.00 0.00 0.00 0.00 61.98 60.30 1bfy s VAL 38 Cb -0.19 -1.96 -0.14 0.00 0.00 0.00 0.00 36.38 34.09 1bfy s VAL 38 CO 0.24 -0.65 0.46 0.00 0.00 0.00 0.00 175.10 175.14 1bfy h PRO 40 N 0.80 0.88 -0.81 0.00 0.13 -2.00 -3.32 132.00 127.68 1bfy h PRO 40 Ca -0.37 -0.20 -0.36 0.00 -0.87 0.00 0.00 66.00 64.20 1bfy h PRO 40 Cb 1.41 -0.12 -0.41 0.00 0.13 0.00 0.00 31.00 32.02 1bfy h PRO 40 CO 0.52 0.81 -1.07 1.28 -0.23 0.00 0.00 178.00 179.31 1bfy n LEU 41 N -4.42 2.27 -3.54 1.56 4.77 -1.26 -5.06 117.00 111.32 1bfy n LEU 41 Ca 0.02 -3.73 -0.16 0.00 -0.03 0.00 0.00 56.01 52.11 1bfy n LEU 41 Cb 0.22 0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1bfy n LEU 41 CO 0.40 1.49 0.37 0.00 -1.33 0.00 0.00 177.39 178.32 1bfy s GLY 43 N -1.52 2.56 0.07 0.00 0.00 -1.26 -4.06 107.32 103.10 1bfy s GLY 43 Ca -0.09 -3.42 0.00 0.00 0.00 0.00 0.00 44.72 41.21 1bfy s GLY 43 CO 0.05 1.08 0.00 1.55 0.00 0.00 0.00 173.10 175.77 1bfy n VAL 44 N 2.75 0.00 0.00 1.40 3.14 -1.26 -5.10 118.33 119.25 1bfy n VAL 44 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 1bfy n VAL 44 Cb 0.33 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 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 0.68 2.73 3.59 7.55 0.00 -1.26 -4.94 105.19 113.54 1bfy n GLY 45 Ca 0.00 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1bfy n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bfy s LYS 46 N -3.53 3.04 0.11 1.61 -2.85 -1.23 -4.80 119.74 112.10 1bfy s LYS 46 Ca 0.00 1.56 -0.25 0.00 -1.00 0.00 0.00 55.97 56.28 1bfy s LYS 46 Cb 0.00 -4.32 0.07 0.00 -2.06 0.00 0.00 37.83 31.52 1bfy s LYS 46 CO 0.00 -2.20 0.63 0.34 0.10 0.00 0.00 175.35 174.22 1bfy s ASP 47 N 7.80 -0.58 -1.35 0.03 2.15 -1.26 -5.01 116.67 118.46 1bfy s ASP 47 Ca 0.88 0.15 -0.12 0.00 0.43 0.00 0.00 52.55 53.89 1bfy s ASP 47 Cb -0.25 0.57 0.01 0.00 -0.30 0.00 0.00 42.92 42.96 1bfy s ASP 47 CO 0.32 -0.87 0.44 1.67 -0.17 0.00 0.00 175.17 176.56 1bfy n GLN 48 N -0.10 -1.57 -3.57 4.34 7.27 -1.26 -4.72 117.38 117.77 1bfy n GLN 48 Ca -0.17 0.25 -0.39 0.00 0.07 0.00 0.00 57.00 56.76 1bfy n GLN 48 Cb 0.63 -3.73 -0.11 0.00 2.41 0.00 0.00 30.24 29.44 1bfy n GLN 48 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1bfy s PHE 49 N -3.88 3.22 0.30 3.69 -0.12 -1.26 -4.43 117.98 115.50 1bfy s PHE 49 Ca 0.21 -0.06 -0.17 0.00 -0.05 0.00 0.00 56.93 56.86 1bfy s PHE 49 Cb -0.10 -2.42 -0.09 0.00 -0.63 0.00 0.00 43.02 39.79 1bfy s PHE 49 CO 0.93 -0.26 0.75 -1.21 -0.05 0.00 0.00 175.22 175.39 1bfy s GLU 50 N 1.74 4.11 0.21 1.99 2.02 -1.26 -4.84 118.70 122.67 1bfy s GLU 50 Ca 0.07 0.78 -0.30 0.00 0.02 0.00 0.00 54.97 55.54 1bfy s GLU 50 Cb -0.17 -2.56 -0.08 0.00 0.10 0.00 0.00 34.13 31.42 1bfy s GLU 50 CO 0.10 0.22 0.96 -2.00 0.02 0.00 0.00 175.26 174.57 1bfy s GLU 51 N -2.66 4.80 -0.45 1.61 2.12 -1.26 -0.21 118.70 122.65 1bfy s GLU 51 Ca 0.51 1.51 -0.13 0.00 0.36 0.00 0.00 54.97 57.22 1bfy s GLU 51 Cb -0.12 -3.29 0.08 0.00 0.26 0.00 0.00 34.13 31.05 1bfy s GLU 51 CO 0.18 0.42 0.35 0.08 -0.54 0.00 0.00 175.26 175.75 1bfy s VAL 52 N -0.89 4.87 -0.95 3.70 1.01 0.47 -4.83 120.40 123.77 1bfy s VAL 52 Ca 0.43 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 1bfy s VAL 52 Cb -0.26 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 1bfy s VAL 52 CO 0.32 -0.56 2.04 -1.84 0.00 0.00 0.00 175.10 175.06 1bfy n GLU 53 N 5.10 1.91 0.00 2.72 0.28 -1.26 -3.59 120.64 125.80 1bfy n GLU 53 Ca -0.12 -1.97 0.00 0.00 -0.16 0.00 0.00 57.16 54.91 1bfy n GLU 53 Cb 0.43 -2.94 0.00 0.00 1.43 0.00 0.00 31.44 30.36 1bfy n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36