#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl n LYS 2 N 0.00 1.82 -2.69 0.03 5.02 -1.26 -4.93 118.16 116.16 2wrl n LYS 2 Ca 0.00 0.55 -0.25 0.00 -2.02 0.00 0.00 58.31 56.58 2wrl n LYS 2 Cb 0.00 -2.93 0.02 0.00 -0.02 0.00 0.00 35.03 32.10 2wrl n LYS 2 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wrl s ARG 3 N 5.86 3.08 0.21 1.97 1.81 -1.26 -5.00 118.95 125.61 2wrl s ARG 3 Ca 1.01 -0.18 -0.22 0.00 -1.72 0.00 0.00 55.73 54.63 2wrl s ARG 3 Cb -0.54 -2.41 0.14 0.00 -0.45 0.00 0.00 34.95 31.70 2wrl s ARG 3 CO 0.42 -0.44 1.55 -2.37 -0.68 0.00 0.00 175.30 173.77 2wrl n THR 4 N -2.32 -0.57 -2.66 0.02 5.66 -1.26 -4.47 114.28 108.68 2wrl n THR 4 Ca 0.02 2.36 -0.42 0.00 -3.05 0.00 0.00 64.05 62.97 2wrl n THR 4 Cb 0.57 -3.06 -0.03 0.00 -1.55 0.00 0.00 70.33 66.27 2wrl n THR 4 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 2wrl s TRP 5 N -5.80 2.61 -0.57 1.09 -0.11 -1.26 -4.96 118.94 109.93 2wrl s TRP 5 Ca -0.13 0.20 -0.00 0.00 1.22 0.00 0.00 56.10 57.39 2wrl s TRP 5 Cb 0.17 -4.41 0.15 0.00 -1.50 0.00 0.00 33.47 27.89 2wrl s TRP 5 CO 0.68 -1.59 0.36 -0.65 -4.62 0.00 0.00 176.95 171.13 2wrl s GLN 6 N 4.76 2.32 0.53 5.86 -1.52 -1.26 -5.08 119.66 125.27 2wrl s GLN 6 Ca 0.38 -2.51 -0.20 0.00 -1.95 0.00 0.00 55.36 51.08 2wrl s GLN 6 Cb -0.09 -3.58 -0.09 0.00 -0.22 0.00 0.00 33.01 29.03 2wrl s GLN 6 CO 0.22 -1.14 0.69 -0.35 -0.25 0.00 0.00 175.29 174.46 2wrl n PRO 7 N 3.44 0.72 -3.57 2.91 -0.04 -1.26 -5.04 135.00 132.16 2wrl n PRO 7 Ca 0.06 0.27 -0.02 0.00 -0.04 0.00 0.00 63.50 63.78 2wrl n PRO 7 Cb 0.36 -1.82 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 2wrl n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wrl s ASN 8 N -1.09 -0.78 0.01 3.54 3.04 -1.26 -5.08 114.94 113.32 2wrl s ASN 8 Ca 0.69 1.14 -0.25 0.00 0.04 0.00 0.00 52.86 54.47 2wrl s ASN 8 Cb -0.48 1.69 -0.19 0.00 -1.54 0.00 0.00 41.25 40.73 2wrl s ASN 8 CO 0.54 -0.17 1.39 0.03 -3.04 0.00 0.00 177.10 175.85 2wrl h ARG 9 N 7.22 -0.04 -0.90 0.43 3.08 -1.98 -0.63 114.38 121.57 2wrl h ARG 9 Ca -0.22 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.92 2wrl h ARG 9 Cb 1.15 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.14 2wrl h ARG 9 CO 0.13 0.30 0.55 -0.09 -1.07 0.00 0.00 179.97 179.79 2wrl h ARG 10 N -0.39 0.94 0.67 0.04 2.43 -1.99 -1.51 114.38 114.58 2wrl h ARG 10 Ca -0.00 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 2wrl h ARG 10 Cb 0.36 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2wrl h ARG 10 CO 0.01 0.62 -0.32 -0.22 -1.51 0.00 0.00 179.97 178.55 2wrl h LYS 11 N 0.97 -0.87 -0.88 0.20 1.63 -1.96 0.49 116.57 116.14 2wrl h LYS 11 Ca 0.41 0.06 0.23 0.00 -0.85 0.00 0.00 60.65 60.50 2wrl h LYS 11 Cb 0.27 0.20 -0.15 0.00 -0.60 0.00 0.00 32.23 31.94 2wrl h LYS 11 CO -0.21 -0.58 0.08 -0.09 -3.45 0.00 0.00 179.45 175.21 2wrl h ARG 12 N -1.00 0.09 -0.02 1.90 2.43 -0.79 0.52 114.38 117.51 2wrl h ARG 12 Ca -0.09 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 2wrl h ARG 12 Cb 0.69 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2wrl h ARG 12 CO 0.15 0.06 -0.27 0.00 -1.51 0.00 0.00 179.97 178.40 2wrl h ALA 13 N 1.84 0.06 0.00 2.80 0.00 -1.28 -0.33 119.26 122.34 2wrl h ALA 13 Ca 0.53 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wrl h ALA 13 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2wrl h ALA 13 CO -0.76 0.11 0.00 0.87 0.00 0.00 0.00 179.25 179.47 2wrl h LYS 14 N -0.39 0.00 0.00 0.00 1.57 0.32 0.77 116.57 118.85 2wrl h LYS 14 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2wrl h LYS 14 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2wrl h LYS 14 CO 0.05 0.00 -0.69 2.41 -0.57 0.00 0.00 179.45 180.65 2wrl n THR 15 N -3.07 1.42 0.65 -0.16 -1.04 0.17 -4.72 114.28 107.53 2wrl n THR 15 Ca -0.01 0.19 0.09 0.00 -2.04 0.00 0.00 64.05 62.28 2wrl n THR 15 Cb 0.19 -2.36 -0.12 0.00 -1.82 0.00 0.00 70.33 66.23 2wrl n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wrl n HIS 16 N -4.51 0.00 -0.74 -1.42 8.25 -0.15 -4.79 115.22 111.86 2wrl n HIS 16 Ca -0.10 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.08 2wrl n HIS 16 Cb 0.36 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.38 2wrl n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrl n GLY 17 N 1.43 -2.72 0.00 -1.41 0.00 0.26 -4.41 105.19 98.35 2wrl n GLY 17 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2wrl n GLY 17 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wrl n PHE 18 N -2.29 0.00 -0.34 1.61 7.35 -1.26 -1.69 117.46 120.84 2wrl n PHE 18 Ca -0.01 0.00 0.33 0.00 -0.76 0.00 0.00 57.45 57.01 2wrl n PHE 18 Cb 0.50 -0.49 0.70 0.00 0.35 0.00 0.00 39.48 40.54 2wrl n PHE 18 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wrl h ARG 19 N 0.00 0.08 0.59 -4.13 3.08 -1.91 0.35 114.38 112.44 2wrl h ARG 19 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2wrl h ARG 19 Cb 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 2wrl h ARG 19 CO 0.00 0.06 -0.33 0.00 -1.07 0.00 0.00 179.97 178.62 2wrl h ALA 20 N 1.45 -0.87 -0.53 0.04 0.00 -1.69 -2.38 119.26 115.28 2wrl h ALA 20 Ca 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2wrl h ALA 20 Cb 2.16 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 20.32 2wrl h ALA 20 CO -0.09 -1.00 0.27 0.00 0.00 0.00 0.00 179.25 178.44 2wrl h ARG 21 N -0.86 0.74 0.00 0.00 2.47 0.51 -2.52 114.38 114.72 2wrl h ARG 21 Ca -0.07 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 2wrl h ARG 21 Cb 0.69 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2wrl h ARG 21 CO 0.09 0.56 0.00 -1.33 0.56 0.00 0.00 179.97 179.86 2wrl n MET 22 N -4.38 0.02 -0.11 0.04 2.81 -0.15 -2.07 117.12 113.28 2wrl n MET 22 Ca 0.05 0.37 -0.25 0.00 -1.81 0.00 0.00 57.70 56.06 2wrl n MET 22 Cb 0.11 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.01 2wrl n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2wrl n ARG 23 N -1.44 0.60 -2.49 0.03 1.74 -0.95 -4.90 116.66 109.26 2wrl n ARG 23 Ca 0.01 0.37 -0.42 0.00 -0.77 0.00 0.00 57.85 57.05 2wrl n ARG 23 Cb 0.05 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.84 2wrl n ARG 23 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2wrl s THR 24 N -2.46 4.19 -2.00 0.55 -1.32 -1.19 -4.89 115.64 108.53 2wrl s THR 24 Ca -0.33 1.60 0.00 0.00 -1.21 0.00 0.00 61.69 61.76 2wrl s THR 24 Cb 0.10 -4.03 0.01 0.00 -1.51 0.00 0.00 72.50 67.08 2wrl s THR 24 CO 0.57 0.14 0.18 -0.81 -2.21 0.00 0.00 174.62 172.49 2wrl n PRO 25 N 3.74 0.10 -0.00 7.08 -0.04 -1.26 -0.67 135.00 143.95 2wrl n PRO 25 Ca 0.08 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 2wrl n PRO 25 Cb 0.47 -1.07 -0.00 0.00 -0.04 0.00 0.00 33.50 32.86 2wrl n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wrl n GLY 26 N -0.46 -0.01 0.28 0.55 0.00 -1.26 -4.34 105.19 99.95 2wrl n GLY 26 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2wrl n GLY 26 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wrl h GLY 27 N 0.02 0.00 1.20 -0.02 0.00 -1.15 0.53 103.07 103.65 2wrl h GLY 27 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 2wrl h GLY 27 CO -0.01 0.00 -0.15 3.21 0.00 0.00 0.00 176.54 179.59 2wrl h ARG 28 N 0.00 0.93 0.00 4.80 3.08 -0.31 -2.24 114.38 120.64 2wrl h ARG 28 Ca 0.02 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.60 2wrl h ARG 28 Cb 0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2wrl h ARG 28 CO -0.00 1.01 -0.55 0.87 -1.07 0.00 0.00 179.97 180.24 2wrl h LYS 29 N 0.82 0.00 -0.82 0.04 1.57 -0.34 -2.30 116.57 115.54 2wrl h LYS 29 Ca 0.12 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 2wrl h LYS 29 Cb 0.70 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.94 2wrl h LYS 29 CO 0.05 0.55 0.49 0.28 -0.57 0.00 0.00 179.45 180.24 2wrl h VAL 30 N 0.00 0.97 -0.14 0.50 2.07 0.11 0.70 116.25 120.45 2wrl h VAL 30 Ca -0.01 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2wrl h VAL 30 Cb 1.02 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2wrl h VAL 30 CO 0.07 0.16 -0.04 -0.07 0.02 0.00 0.00 177.57 177.71 2wrl h LEU 31 N 0.85 0.27 -2.24 2.57 3.38 -1.22 -2.33 115.31 116.59 2wrl h LEU 31 Ca 0.38 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2wrl h LEU 31 Cb 0.27 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2wrl h LEU 31 CO -0.21 0.59 0.05 0.50 0.09 0.00 0.00 178.44 179.46 2wrl h LYS 32 N -0.05 0.00 0.15 1.13 3.64 -0.75 -1.34 116.57 119.35 2wrl h LYS 32 Ca 0.03 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.12 2wrl h LYS 32 Cb 0.47 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2wrl h LYS 32 CO 0.02 0.00 -1.38 0.00 -2.27 0.00 0.00 179.45 175.82 2wrl h ARG 33 N 0.00 0.32 -0.02 1.90 3.08 -0.73 -3.21 114.38 115.72 2wrl h ARG 33 Ca 0.03 -0.54 -0.13 0.00 0.07 0.00 0.00 59.98 59.41 2wrl h ARG 33 Cb 0.14 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2wrl h ARG 33 CO -0.00 1.23 -0.58 0.00 -1.07 0.00 0.00 179.97 179.56 2wrl h ARG 34 N 0.09 0.07 0.54 0.04 3.08 -0.81 -1.93 114.38 115.46 2wrl h ARG 34 Ca -0.19 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 2wrl h ARG 34 Cb 2.02 0.01 0.01 0.00 0.08 0.00 0.00 29.97 32.09 2wrl h ARG 34 CO 0.20 0.63 -0.26 0.00 -1.07 0.00 0.00 179.97 179.47 2wrl h ARG 35 N 0.06 -0.70 -0.69 0.04 3.08 -1.38 -0.06 114.38 114.72 2wrl h ARG 35 Ca -0.00 0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.23 2wrl h ARG 35 Cb 1.04 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 31.15 2wrl h ARG 35 CO 0.08 -0.42 0.19 0.37 -1.07 0.00 0.00 179.97 179.11 2wrl h GLN 36 N -1.14 0.30 0.00 0.04 4.15 -1.59 1.58 115.11 118.45 2wrl h GLN 36 Ca -0.07 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2wrl h GLN 36 Cb 0.60 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.22 2wrl h GLN 36 CO 0.12 0.20 0.00 1.17 -1.93 0.00 0.00 178.83 178.39 2wrl n LYS 37 N -5.11 0.14 -2.54 1.69 4.81 -0.73 -4.90 118.16 111.52 2wrl n LYS 37 Ca 0.12 0.41 -0.01 0.00 -0.87 0.00 0.00 58.31 57.96 2wrl n LYS 37 Cb 0.40 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.67 2wrl n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wrl n GLY 38 N -0.16 -0.88 3.88 3.14 0.00 0.54 -5.02 105.19 106.70 2wrl n GLY 38 Ca 0.02 0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 2wrl n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrl s ARG 39 N -3.09 3.66 0.39 1.61 1.81 -0.13 -4.99 118.95 118.22 2wrl s ARG 39 Ca 0.03 0.01 0.21 0.00 -1.72 0.00 0.00 55.73 54.26 2wrl s ARG 39 Cb -0.00 -2.95 0.55 0.00 -0.45 0.00 0.00 34.95 32.10 2wrl s ARG 39 CO 0.49 0.54 1.67 -1.49 -0.68 0.00 0.00 175.30 175.83 2wrl h TRP 40 N 3.39 0.00 -3.99 -0.53 4.06 -1.95 -3.43 115.95 113.48 2wrl h TRP 40 Ca -0.48 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 59.97 2wrl h TRP 40 Cb 1.18 0.00 -0.23 0.00 -1.00 0.00 0.00 29.16 29.11 2wrl h TRP 40 CO 0.65 0.29 -0.81 1.03 -3.56 0.00 0.00 178.44 176.04 2wrl s ARG 41 N -3.35 1.04 -0.16 0.49 3.00 -1.26 -5.04 118.95 113.67 2wrl s ARG 41 Ca 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 55.73 54.77 2wrl s ARG 41 Cb 0.09 -1.16 -0.10 0.00 0.00 0.00 0.00 34.95 33.77 2wrl s ARG 41 CO 0.68 0.28 -0.14 1.28 0.00 0.00 0.00 175.30 177.39 2wrl n LEU 42 N 1.42 2.86 -4.09 2.53 4.77 -1.26 -4.96 117.00 118.28 2wrl n LEU 42 Ca -0.19 -0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.46 2wrl n LEU 42 Cb 0.54 -0.54 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 2wrl n LEU 42 CO 0.22 0.73 -0.49 -0.89 -1.33 0.00 0.00 177.39 175.63 2wrl s THR 43 N -2.31 1.35 -0.12 -5.08 2.01 -1.26 -5.00 115.64 105.23 2wrl s THR 43 Ca -0.21 -0.63 -0.35 0.00 0.31 0.00 0.00 61.69 60.82 2wrl s THR 43 Cb 0.06 -1.20 -0.16 0.00 0.01 0.00 0.00 72.50 71.20 2wrl s THR 43 CO 0.35 0.40 1.01 -2.65 -0.69 0.00 0.00 174.62 173.04 2wrl n PRO 44 N 3.56 0.00 -2.44 4.92 -0.02 -1.26 -4.87 135.00 134.89 2wrl n PRO 44 Ca -0.21 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.92 2wrl n PRO 44 Cb 0.52 -1.23 -0.02 0.00 -0.02 0.00 0.00 33.50 32.74 2wrl n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrl s ALA 45 N 0.74 2.92 0.25 3.55 0.00 -1.26 -4.94 121.76 123.02 2wrl s ALA 45 Ca 0.78 0.74 -0.15 0.00 0.00 0.00 0.00 51.96 53.33 2wrl s ALA 45 Cb -1.10 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2wrl s ALA 45 CO 0.53 -0.43 0.53 0.08 0.00 0.00 0.00 175.76 176.47 2wrl s VAL 46 N -1.76 0.00 -0.04 0.00 1.01 -1.26 -5.12 120.40 113.23 2wrl s VAL 46 Ca 0.65 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 2wrl s VAL 46 Cb -0.22 -2.08 0.11 0.00 0.00 0.00 0.00 36.38 34.20 2wrl s VAL 46 CO 0.26 -0.02 0.96 0.00 0.00 0.00 0.00 175.10 176.30 2wrl s ARG 47 N -3.98 0.72 0.09 2.72 1.70 -1.26 -5.19 118.95 113.75 2wrl s ARG 47 Ca 0.18 -0.27 0.02 0.00 -0.47 0.00 0.00 55.73 55.19 2wrl s ARG 47 Cb -0.02 0.33 -0.01 0.00 -0.57 0.00 0.00 34.95 34.68 2wrl s ARG 47 CO 0.07 -0.32 0.07 0.36 -1.08 0.00 0.00 175.30 174.40 2wrl n LYS 48 N -0.22 0.25 0.00 3.89 2.85 -1.26 -5.08 118.16 118.59 2wrl n LYS 48 Ca -0.07 -0.88 0.00 0.00 -1.05 0.00 0.00 58.31 56.31 2wrl n LYS 48 Cb 0.61 0.68 0.00 0.00 -0.65 0.00 0.00 35.03 35.67 2wrl n LYS 48 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89