#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi n LYS 2 N 0.00 0.00 -1.84 0.03 5.02 -1.26 -4.87 118.16 115.24 2wdi n LYS 2 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2wdi n LYS 2 Cb 0.00 -0.96 0.09 0.00 -0.02 0.00 0.00 35.03 34.14 2wdi n LYS 2 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wdi s ARG 3 N 5.78 2.01 0.18 1.97 1.81 -1.26 -5.01 118.95 124.42 2wdi s ARG 3 Ca 0.88 0.21 -0.13 0.00 -1.72 0.00 0.00 55.73 54.98 2wdi s ARG 3 Cb -0.80 -1.95 0.11 0.00 -0.45 0.00 0.00 34.95 31.87 2wdi s ARG 3 CO 0.32 -1.59 1.81 0.00 -0.68 0.00 0.00 175.30 175.17 2wdi h THR 4 N -1.05 1.04 -3.56 0.02 1.03 -2.11 -3.41 112.91 104.88 2wdi h THR 4 Ca -0.46 -0.21 -0.62 0.00 -0.01 0.00 0.00 66.41 65.10 2wdi h THR 4 Cb 1.32 0.37 -0.13 0.00 -1.07 0.00 0.00 68.15 68.64 2wdi h THR 4 CO 0.65 0.11 0.25 0.86 -0.01 0.00 0.00 175.52 177.38 2wdi s TRP 5 N -6.14 3.11 -0.51 0.00 -0.11 -1.26 -4.98 118.94 109.06 2wdi s TRP 5 Ca -0.13 0.38 0.03 0.00 1.22 0.00 0.00 56.10 57.60 2wdi s TRP 5 Cb 0.13 -3.31 0.15 0.00 -1.50 0.00 0.00 33.47 28.94 2wdi s TRP 5 CO 0.74 -0.72 0.31 -0.65 -4.62 0.00 0.00 176.95 172.01 2wdi s GLN 6 N 2.92 1.63 -0.10 5.86 -1.52 -1.26 -5.09 119.66 122.10 2wdi s GLN 6 Ca 0.27 -2.42 -0.39 0.00 -1.95 0.00 0.00 55.36 50.87 2wdi s GLN 6 Cb -0.14 -2.65 -0.17 0.00 -0.22 0.00 0.00 33.01 29.83 2wdi s GLN 6 CO 0.17 -1.20 1.45 -0.35 -0.25 0.00 0.00 175.29 175.10 2wdi n PRO 7 N 3.04 0.85 -3.56 2.91 -0.04 -1.26 -5.00 135.00 131.94 2wdi n PRO 7 Ca 0.13 0.31 -0.24 0.00 -0.04 0.00 0.00 63.50 63.66 2wdi n PRO 7 Cb 0.36 -1.93 -0.15 0.00 -0.04 0.00 0.00 33.50 31.73 2wdi n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wdi s ASN 8 N 1.61 2.12 0.14 3.54 3.04 -1.26 -5.05 114.94 119.08 2wdi s ASN 8 Ca 0.92 -0.54 -0.22 0.00 0.04 0.00 0.00 52.86 53.06 2wdi s ASN 8 Cb -1.10 -0.04 0.01 0.00 -1.54 0.00 0.00 41.25 38.58 2wdi s ASN 8 CO 0.58 -0.35 1.65 0.03 -3.04 0.00 0.00 177.10 175.97 2wdi h ARG 9 N 8.38 -0.21 -0.69 0.43 3.08 -1.99 -1.09 114.38 122.30 2wdi h ARG 9 Ca -0.16 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 2wdi h ARG 9 Cb 1.14 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 2wdi h ARG 9 CO 0.30 -0.14 0.41 -0.09 -1.07 0.00 0.00 179.97 179.38 2wdi h ARG 10 N -0.22 0.93 -0.67 0.04 2.43 -1.99 -1.55 114.38 113.35 2wdi h ARG 10 Ca 0.12 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2wdi h ARG 10 Cb 0.39 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2wdi h ARG 10 CO -0.32 0.66 0.44 -0.22 -1.51 0.00 0.00 179.97 179.03 2wdi h LYS 11 N 0.93 0.89 -0.59 0.20 1.63 -1.89 -0.01 116.57 117.73 2wdi h LYS 11 Ca 0.25 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.97 2wdi h LYS 11 Cb -0.03 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.37 2wdi h LYS 11 CO -0.05 0.60 0.29 -0.09 -3.45 0.00 0.00 179.45 176.76 2wdi h ARG 12 N 0.91 0.84 -0.01 1.90 2.43 -0.68 -0.37 114.38 119.41 2wdi h ARG 12 Ca 0.25 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2wdi h ARG 12 Cb -0.09 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2wdi h ARG 12 CO -0.05 0.67 -0.00 0.00 -1.51 0.00 0.00 179.97 179.08 2wdi h ALA 13 N 1.13 0.02 0.00 2.80 0.00 -0.97 -0.44 119.26 121.79 2wdi h ALA 13 Ca 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wdi h ALA 13 Cb 0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wdi h ALA 13 CO -0.03 -0.32 -0.02 0.87 0.00 0.00 0.00 179.25 179.76 2wdi h LYS 14 N -0.30 0.00 0.00 0.00 1.57 -0.87 0.07 116.57 117.04 2wdi h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wdi h LYS 14 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2wdi h LYS 14 CO 0.00 0.02 -0.57 2.41 -0.57 0.00 0.00 179.45 180.74 2wdi n THR 15 N -3.17 1.23 -0.32 -0.16 -1.04 -0.16 -4.58 114.28 106.08 2wdi n THR 15 Ca -0.01 0.24 0.09 0.00 -2.04 0.00 0.00 64.05 62.33 2wdi n THR 15 Cb 0.21 -2.25 0.32 0.00 -1.82 0.00 0.00 70.33 66.79 2wdi n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wdi n HIS 16 N -4.23 1.21 -0.46 -1.42 8.25 -0.20 -4.69 115.22 113.68 2wdi n HIS 16 Ca -0.08 -0.52 -0.29 0.00 -0.26 0.00 0.00 57.72 56.58 2wdi n HIS 16 Cb 0.30 -0.15 0.26 0.00 1.12 0.00 0.00 29.99 31.51 2wdi n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdi n GLY 17 N 1.26 -2.43 0.16 -1.41 0.00 0.01 -4.36 105.19 98.42 2wdi n GLY 17 Ca 0.23 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 2wdi n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wdi h PHE 18 N -2.77 -0.27 -0.65 1.61 3.57 -1.95 -0.86 116.94 115.62 2wdi h PHE 18 Ca -0.59 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 60.97 2wdi h PHE 18 Cb 1.33 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 40.10 2wdi h PHE 18 CO -0.28 0.12 0.33 0.00 -2.23 0.00 0.00 178.31 176.25 2wdi h ARG 19 N -0.77 0.58 -0.10 1.11 3.08 -1.92 -0.68 114.38 115.67 2wdi h ARG 19 Ca -0.03 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.02 2wdi h ARG 19 Cb 0.51 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2wdi h ARG 19 CO 0.05 0.38 -0.08 0.00 -1.07 0.00 0.00 179.97 179.25 2wdi h ALA 20 N 1.37 0.00 -0.00 0.04 0.00 -1.85 -0.93 119.26 117.88 2wdi h ALA 20 Ca 0.30 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2wdi h ALA 20 Cb 0.26 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wdi h ALA 20 CO -0.22 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.49 2wdi h ARG 21 N -0.09 0.00 0.02 0.00 2.47 -0.48 -2.95 114.38 113.35 2wdi h ARG 21 Ca 0.07 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.59 2wdi h ARG 21 Cb 0.19 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.53 2wdi h ARG 21 CO -0.16 0.00 -0.81 0.52 0.56 0.00 0.00 179.97 180.08 2wdi h MET 22 N 0.00 0.51 -0.21 0.04 2.86 0.21 -0.04 114.93 118.30 2wdi h MET 22 Ca 0.00 -0.58 0.05 0.00 -2.06 0.00 0.00 59.70 57.12 2wdi h MET 22 Cb 0.01 0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 2wdi h MET 22 CO -0.00 1.21 -0.18 0.00 1.06 0.00 0.00 176.91 179.00 2wdi h ARG 23 N 0.06 -0.18 -6.34 1.72 3.08 -1.20 -3.41 114.38 108.11 2wdi h ARG 23 Ca -0.11 0.01 -0.54 0.00 0.07 0.00 0.00 59.98 59.41 2wdi h ARG 23 Cb 1.51 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.57 2wdi h ARG 23 CO 0.16 -0.12 0.28 -0.08 -1.07 0.00 0.00 179.97 179.13 2wdi s THR 24 N -6.13 4.82 0.54 2.04 -1.32 -1.25 -4.95 115.64 109.40 2wdi s THR 24 Ca -0.14 1.87 0.25 0.00 -1.21 0.00 0.00 61.69 62.45 2wdi s THR 24 Cb 0.12 -4.23 0.37 0.00 -1.51 0.00 0.00 72.50 67.25 2wdi s THR 24 CO 0.68 0.24 2.03 1.55 -2.21 0.00 0.00 174.62 176.91 2wdi h PRO 25 N 6.40 0.00 -0.46 7.08 0.13 -1.88 0.24 132.00 143.51 2wdi h PRO 25 Ca -0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 2wdi h PRO 25 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2wdi h PRO 25 CO 0.74 0.00 0.01 0.78 -0.23 0.00 0.00 178.00 179.30 2wdi h GLY 26 N 0.00 0.87 0.97 1.56 0.00 -1.92 -2.34 103.07 102.21 2wdi h GLY 26 Ca 0.18 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 2wdi h GLY 26 CO -0.00 0.58 0.01 -1.33 0.00 0.00 0.00 176.54 175.80 2wdi h GLY 27 N 0.65 0.84 0.98 4.60 0.00 -0.71 -2.19 103.07 107.25 2wdi h GLY 27 Ca 0.13 -0.61 0.08 0.00 0.00 0.00 0.00 47.33 46.93 2wdi h GLY 27 CO 0.02 0.56 0.48 3.21 0.00 0.00 0.00 176.54 180.81 2wdi h ARG 28 N 0.63 0.68 -0.46 4.80 3.08 0.62 0.12 114.38 123.84 2wdi h ARG 28 Ca 0.13 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 2wdi h ARG 28 Cb 0.48 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2wdi h ARG 28 CO 0.02 0.45 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.95 2wdi h LYS 29 N 0.70 0.90 0.53 0.04 3.64 -0.99 -1.37 116.57 120.03 2wdi h LYS 29 Ca 0.32 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2wdi h LYS 29 Cb 0.35 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2wdi h LYS 29 CO -0.11 1.02 -0.36 0.28 -2.27 0.00 0.00 179.45 178.00 2wdi h VAL 30 N 0.79 0.26 -0.99 2.00 2.07 -0.22 0.15 116.25 120.31 2wdi h VAL 30 Ca 0.11 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.84 2wdi h VAL 30 Cb 0.74 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.67 2wdi h VAL 30 CO 0.06 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.20 2wdi h LEU 31 N -0.86 0.61 0.89 2.57 3.38 -1.14 -0.49 115.31 120.28 2wdi h LEU 31 Ca -0.06 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2wdi h LEU 31 Cb 0.72 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.45 2wdi h LEU 31 CO 0.04 0.20 -0.43 0.50 0.09 0.00 0.00 178.44 178.84 2wdi h LYS 32 N 0.59 -1.16 -0.44 1.13 3.64 -0.13 -1.75 116.57 118.44 2wdi h LYS 32 Ca 0.56 0.08 0.08 0.00 -1.27 0.00 0.00 60.65 60.10 2wdi h LYS 32 Cb 1.11 0.26 -0.07 0.00 -0.41 0.00 0.00 32.23 33.12 2wdi h LYS 32 CO -0.31 -0.77 0.00 0.00 -2.27 0.00 0.00 179.45 176.10 2wdi h ARG 33 N -1.30 0.11 0.23 1.90 3.08 0.02 -0.42 114.38 118.00 2wdi h ARG 33 Ca -0.12 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2wdi h ARG 33 Cb 0.92 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2wdi h ARG 33 CO 0.20 0.07 -0.11 0.00 -1.07 0.00 0.00 179.97 179.07 2wdi h ARG 34 N 0.12 -0.30 -0.97 0.04 3.08 -1.16 -0.77 114.38 114.42 2wdi h ARG 34 Ca 0.22 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.43 2wdi h ARG 34 Cb 0.32 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.35 2wdi h ARG 34 CO -0.36 -0.11 0.59 -0.09 -1.07 0.00 0.00 179.97 178.92 2wdi h ARG 35 N -0.42 0.85 0.00 0.04 2.43 -1.05 -0.24 114.38 115.99 2wdi h ARG 35 Ca -0.03 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2wdi h ARG 35 Cb 0.32 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2wdi h ARG 35 CO 0.05 0.56 -0.04 0.37 -1.51 0.00 0.00 179.97 179.41 2wdi h GLN 36 N 0.87 0.00 0.00 0.20 4.15 -0.82 -3.13 115.11 116.38 2wdi h GLN 36 Ca 0.50 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.68 2wdi h GLN 36 Cb 0.60 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.25 2wdi h GLN 36 CO -0.31 0.04 -1.40 -0.22 -1.93 0.00 0.00 178.83 175.01 2wdi h LYS 37 N 0.00 0.00 0.00 1.69 3.64 0.43 -3.49 116.57 118.84 2wdi h LYS 37 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wdi h LYS 37 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2wdi h LYS 37 CO 0.00 0.60 0.00 0.41 -2.27 0.00 0.00 179.45 178.19 2wdi n GLY 38 N 1.46 1.36 3.55 5.01 0.00 -0.47 -5.09 105.19 111.00 2wdi n GLY 38 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2wdi n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi n ARG 39 N -0.72 1.00 0.05 1.61 5.12 -1.06 -4.86 116.66 117.80 2wdi n ARG 39 Ca 0.00 0.36 -0.06 0.00 -1.93 0.00 0.00 57.85 56.22 2wdi n ARG 39 Cb 0.00 -1.82 -0.10 0.00 -1.16 0.00 0.00 32.46 29.38 2wdi n ARG 39 CO 0.00 0.00 0.00 -1.49 -1.93 0.00 0.00 177.63 174.21 2wdi h TRP 40 N 1.21 0.00 -3.77 -1.55 4.06 -1.98 -3.42 115.95 110.50 2wdi h TRP 40 Ca -0.43 0.00 -0.68 0.00 2.06 0.00 0.00 58.89 59.85 2wdi h TRP 40 Cb 1.36 0.00 -0.35 0.00 -1.00 0.00 0.00 29.16 29.17 2wdi h TRP 40 CO 0.41 0.92 -0.76 1.03 -3.56 0.00 0.00 178.44 176.48 2wdi s ARG 41 N -2.73 2.39 0.23 0.49 0.52 -1.26 -4.96 118.95 113.63 2wdi s ARG 41 Ca 0.00 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 2wdi s ARG 41 Cb 0.09 -2.99 0.23 0.00 0.52 0.00 0.00 34.95 32.80 2wdi s ARG 41 CO 0.81 -0.56 1.58 -0.07 0.02 0.00 0.00 175.30 177.08 2wdi h LEU 42 N 7.88 0.50 -8.88 2.53 3.38 -1.97 -3.45 115.31 115.30 2wdi h LEU 42 Ca -0.22 -0.24 -0.53 0.00 0.09 0.00 0.00 57.88 56.98 2wdi h LEU 42 Cb 1.06 -0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.50 2wdi h LEU 42 CO 0.50 0.90 -0.78 -0.89 0.09 0.00 0.00 178.44 178.27 2wdi s THR 43 N -4.08 1.90 -0.33 0.22 2.01 -1.26 -4.90 115.64 109.19 2wdi s THR 43 Ca -0.06 -2.00 -0.31 0.00 0.31 0.00 0.00 61.69 59.62 2wdi s THR 43 Cb 0.12 -1.93 -0.09 0.00 0.01 0.00 0.00 72.50 70.62 2wdi s THR 43 CO 0.82 -0.35 2.24 -2.65 -0.69 0.00 0.00 174.62 173.99 2wdi n PRO 44 N 0.13 1.38 -1.95 4.92 -0.02 -1.26 -4.84 135.00 133.35 2wdi n PRO 44 Ca -0.12 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 2wdi n PRO 44 Cb 0.58 -2.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 2wdi n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdi s ALA 45 N 8.23 3.66 -0.19 3.55 0.00 -1.26 -4.96 121.76 130.79 2wdi s ALA 45 Ca 1.06 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 54.04 2wdi s ALA 45 Cb -0.60 -3.71 0.06 0.00 0.00 0.00 0.00 23.12 18.87 2wdi s ALA 45 CO 0.41 -1.17 0.48 0.08 0.00 0.00 0.00 175.76 175.56 2wdi s VAL 46 N 2.99 -0.02 0.08 0.00 1.01 -1.26 -5.17 120.40 118.03 2wdi s VAL 46 Ca 0.74 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.81 2wdi s VAL 46 Cb -0.38 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2wdi s VAL 46 CO 0.32 0.03 0.09 0.00 0.00 0.00 0.00 175.10 175.54 2wdi s ARG 47 N 1.31 2.94 0.08 2.72 1.04 -1.26 -5.09 118.95 120.69 2wdi s ARG 47 Ca -0.09 -0.67 0.00 0.00 -1.04 0.00 0.00 55.73 53.94 2wdi s ARG 47 Cb -0.07 -2.76 -0.00 0.00 -2.04 0.00 0.00 34.95 30.08 2wdi s ARG 47 CO -0.13 0.57 0.01 1.63 -0.04 0.00 0.00 175.30 177.34 2wdi n LYS 48 N 0.43 1.54 0.00 3.89 4.76 -1.26 -5.10 118.16 122.43 2wdi n LYS 48 Ca -0.08 -0.59 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 2wdi n LYS 48 Cb 0.52 0.20 0.00 0.00 -1.84 0.00 0.00 35.03 33.91 2wdi n LYS 48 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90