#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn n LYS 2 N 0.00 0.89 -3.97 0.03 4.01 -1.26 -4.94 118.16 112.92 2wdn n LYS 2 Ca 0.00 0.33 -0.22 0.00 -0.51 0.00 0.00 58.31 57.90 2wdn n LYS 2 Cb 0.00 -1.96 -0.02 0.00 -0.51 0.00 0.00 35.03 32.53 2wdn n LYS 2 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2wdn s ARG 3 N 3.07 3.43 0.55 1.97 1.81 -1.26 -5.00 118.95 123.52 2wdn s ARG 3 Ca 0.98 -0.73 0.33 0.00 -1.72 0.00 0.00 55.73 54.59 2wdn s ARG 3 Cb -1.15 -2.90 1.49 0.00 -0.45 0.00 0.00 34.95 31.94 2wdn s ARG 3 CO 0.67 0.45 1.84 1.79 -0.68 0.00 0.00 175.30 179.37 2wdn h THR 4 N 1.28 0.45 -3.32 0.02 1.35 -2.10 -3.37 112.91 107.22 2wdn h THR 4 Ca -0.51 0.00 -0.73 0.00 -0.55 0.00 0.00 66.41 64.62 2wdn h THR 4 Cb 1.22 0.49 -0.21 0.00 -1.73 0.00 0.00 68.15 67.91 2wdn h THR 4 CO 0.63 0.00 -0.27 0.86 -0.25 0.00 0.00 175.52 176.49 2wdn s TRP 5 N -4.89 3.21 -0.62 4.73 -0.11 -1.26 -4.99 118.94 115.01 2wdn s TRP 5 Ca -0.05 -0.81 0.03 0.00 1.22 0.00 0.00 56.10 56.50 2wdn s TRP 5 Cb 0.21 -3.18 0.15 0.00 -1.50 0.00 0.00 33.47 29.16 2wdn s TRP 5 CO 0.74 -0.82 0.40 -0.65 -4.62 0.00 0.00 176.95 172.00 2wdn s GLN 6 N 1.84 2.30 0.10 5.86 -1.52 -1.26 -5.09 119.66 121.89 2wdn s GLN 6 Ca 0.06 -2.95 -0.35 0.00 -1.95 0.00 0.00 55.36 50.17 2wdn s GLN 6 Cb -0.23 -3.43 -0.18 0.00 -0.22 0.00 0.00 33.01 28.95 2wdn s GLN 6 CO 0.08 -1.19 1.05 -0.35 -0.25 0.00 0.00 175.29 174.63 2wdn n PRO 7 N 2.63 0.55 -3.33 2.91 -0.04 -1.26 -5.01 135.00 131.45 2wdn n PRO 7 Ca 0.12 0.20 -0.03 0.00 -0.04 0.00 0.00 63.50 63.74 2wdn n PRO 7 Cb 0.34 -1.64 -0.05 0.00 -0.04 0.00 0.00 33.50 32.11 2wdn n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wdn s ASN 8 N -0.09 -0.54 0.15 3.54 3.04 -1.26 -5.07 114.94 114.71 2wdn s ASN 8 Ca 0.80 0.66 -0.19 0.00 0.04 0.00 0.00 52.86 54.17 2wdn s ASN 8 Cb -1.03 1.63 0.04 0.00 -1.54 0.00 0.00 41.25 40.35 2wdn s ASN 8 CO 0.54 -0.27 1.67 0.03 -3.04 0.00 0.00 177.10 176.03 2wdn h ARG 9 N 8.10 -0.06 0.08 0.43 3.08 -1.99 -1.24 114.38 122.79 2wdn h ARG 9 Ca -0.20 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.87 2wdn h ARG 9 Cb 1.15 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2wdn h ARG 9 CO 0.24 -0.04 -0.20 -0.09 -1.07 0.00 0.00 179.97 178.81 2wdn h ARG 10 N -0.06 -0.35 -0.07 0.04 2.43 -2.00 -2.20 114.38 112.18 2wdn h ARG 10 Ca 0.14 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2wdn h ARG 10 Cb 0.28 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 2wdn h ARG 10 CO -0.32 -0.24 -0.21 -0.22 -1.51 0.00 0.00 179.97 177.47 2wdn h LYS 11 N -0.37 -0.29 -0.89 0.20 1.63 -1.94 0.31 116.57 115.22 2wdn h LYS 11 Ca 0.03 0.02 0.20 0.00 -0.85 0.00 0.00 60.65 60.06 2wdn h LYS 11 Cb 0.40 0.07 -0.12 0.00 -0.60 0.00 0.00 32.23 31.98 2wdn h LYS 11 CO -0.13 -0.19 0.41 -0.09 -3.45 0.00 0.00 179.45 175.99 2wdn h ARG 12 N -0.30 0.44 0.15 1.90 2.43 -1.00 0.12 114.38 118.12 2wdn h ARG 12 Ca 0.08 -0.03 -0.25 0.00 -0.81 0.00 0.00 59.98 58.98 2wdn h ARG 12 Cb 0.42 -0.10 0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2wdn h ARG 12 CO -0.24 0.29 -1.15 0.00 -1.51 0.00 0.00 179.97 177.35 2wdn h ALA 13 N 1.68 -0.01 -0.23 2.80 0.00 -0.76 -0.63 119.26 122.10 2wdn h ALA 13 Ca 0.54 -0.87 0.07 0.00 0.00 0.00 0.00 54.91 54.65 2wdn h ALA 13 Cb 0.98 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2wdn h ALA 13 CO -0.49 0.60 0.22 -0.22 0.00 0.00 0.00 179.25 179.35 2wdn h LYS 14 N -0.25 0.00 0.00 0.00 1.63 0.17 0.49 116.57 118.61 2wdn h LYS 14 Ca -0.22 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.39 2wdn h LYS 14 Cb 1.78 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.39 2wdn h LYS 14 CO 0.14 0.00 -1.41 2.41 -3.45 0.00 0.00 179.45 177.14 2wdn n THR 15 N -4.01 1.50 -1.23 1.00 -1.04 0.37 -4.59 114.28 106.27 2wdn n THR 15 Ca 0.03 -0.03 -0.01 0.00 -2.04 0.00 0.00 64.05 61.99 2wdn n THR 15 Cb 0.36 -2.16 0.23 0.00 -1.82 0.00 0.00 70.33 66.94 2wdn n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wdn n HIS 16 N -4.43 1.30 -0.83 -1.42 8.25 -0.25 -4.84 115.22 113.01 2wdn n HIS 16 Ca -0.28 -1.32 -0.29 0.00 -0.26 0.00 0.00 57.72 55.57 2wdn n HIS 16 Cb 0.61 -0.48 0.23 0.00 1.12 0.00 0.00 29.99 31.47 2wdn n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wdn s GLY 17 N -2.10 1.54 -0.07 -1.41 0.00 0.17 -4.19 107.32 101.26 2wdn s GLY 17 Ca 0.46 -0.37 -0.26 0.00 0.00 0.00 0.00 44.72 44.55 2wdn s GLY 17 CO 0.05 0.36 1.00 -2.75 0.00 0.00 0.00 173.10 171.75 2wdn h PHE 18 N -2.42 0.14 -0.93 1.90 3.57 -1.95 -2.13 116.94 115.11 2wdn h PHE 18 Ca -0.57 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 60.93 2wdn h PHE 18 Cb 1.33 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.99 2wdn h PHE 18 CO -0.15 0.88 0.60 0.00 -2.23 0.00 0.00 178.31 177.41 2wdn h ARG 19 N -0.64 0.97 -0.35 1.11 3.08 -1.93 -1.24 114.38 115.38 2wdn h ARG 19 Ca -0.02 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.98 2wdn h ARG 19 Cb 0.92 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2wdn h ARG 19 CO 0.03 0.64 0.22 0.00 -1.07 0.00 0.00 179.97 179.79 2wdn h ALA 20 N 1.52 0.45 -0.27 0.04 0.00 -1.84 -2.62 119.26 116.54 2wdn h ALA 20 Ca 0.42 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.32 2wdn h ALA 20 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2wdn h ALA 20 CO -0.17 -0.11 0.16 0.00 0.00 0.00 0.00 179.25 179.13 2wdn h ARG 21 N 0.46 0.32 -0.81 0.00 2.47 -0.58 -2.98 114.38 113.26 2wdn h ARG 21 Ca 0.13 -0.02 0.14 0.00 -1.26 0.00 0.00 59.98 58.98 2wdn h ARG 21 Cb -0.03 -0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.16 2wdn h ARG 21 CO -0.04 0.21 0.53 0.52 0.56 0.00 0.00 179.97 181.75 2wdn h MET 22 N 0.33 0.54 -0.59 0.04 2.86 -0.92 -2.77 114.93 114.42 2wdn h MET 22 Ca 0.10 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2wdn h MET 22 Cb -0.01 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2wdn h MET 22 CO -0.04 0.36 0.12 0.00 1.06 0.00 0.00 176.91 178.40 2wdn h ARG 23 N 0.56 0.96 -5.66 1.72 3.08 -1.32 -3.44 114.38 110.28 2wdn h ARG 23 Ca 0.40 -0.25 -0.59 0.00 0.07 0.00 0.00 59.98 59.62 2wdn h ARG 23 Cb 0.76 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.60 2wdn h ARG 23 CO -0.16 0.90 -0.00 -0.08 -1.07 0.00 0.00 179.97 179.56 2wdn s THR 24 N -5.25 5.09 0.61 2.04 -1.32 -1.13 -4.93 115.64 110.74 2wdn s THR 24 Ca -0.12 1.07 0.29 0.00 -1.21 0.00 0.00 61.69 61.71 2wdn s THR 24 Cb 0.13 -3.88 0.36 0.00 -1.51 0.00 0.00 72.50 67.59 2wdn s THR 24 CO 0.82 0.20 1.91 1.55 -2.21 0.00 0.00 174.62 176.89 2wdn h PRO 25 N 7.24 0.00 0.02 7.08 0.13 -1.84 0.40 132.00 145.03 2wdn h PRO 25 Ca -0.35 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.57 2wdn h PRO 25 Cb 1.16 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.31 2wdn h PRO 25 CO 0.75 0.00 -0.82 0.78 -0.23 0.00 0.00 178.00 178.49 2wdn h GLY 26 N 0.00 0.58 1.82 1.56 0.00 -1.92 -2.82 103.07 102.30 2wdn h GLY 26 Ca 0.15 -1.06 -0.10 0.00 0.00 0.00 0.00 47.33 46.32 2wdn h GLY 26 CO -0.00 0.93 -0.42 -1.33 0.00 0.00 0.00 176.54 175.72 2wdn h GLY 27 N 0.08 0.21 0.95 4.60 0.00 -0.51 -1.98 103.07 106.42 2wdn h GLY 27 Ca -0.11 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.04 2wdn h GLY 27 CO 0.16 0.18 0.55 3.21 0.00 0.00 0.00 176.54 180.64 2wdn h ARG 28 N 0.17 1.07 0.00 4.80 3.08 -0.38 0.13 114.38 123.24 2wdn h ARG 28 Ca 0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2wdn h ARG 28 Cb 0.81 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2wdn h ARG 28 CO 0.06 0.71 0.00 1.17 -1.07 0.00 0.00 179.97 180.84 2wdn n LYS 29 N -4.53 0.09 0.03 0.04 4.81 -0.80 -1.35 118.16 116.45 2wdn n LYS 29 Ca 0.09 0.23 -0.08 0.00 -0.87 0.00 0.00 58.31 57.68 2wdn n LYS 29 Cb 0.04 -1.64 -0.05 0.00 0.02 0.00 0.00 35.03 33.40 2wdn n LYS 29 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wdn h VAL 30 N 0.00 0.57 -0.85 3.15 2.07 -0.17 -2.17 116.25 118.85 2wdn h VAL 30 Ca 0.00 -1.18 0.08 0.00 0.82 0.00 0.00 66.70 66.43 2wdn h VAL 30 Cb 0.42 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 2wdn h VAL 30 CO 0.00 0.17 0.55 -0.07 0.02 0.00 0.00 177.57 178.25 2wdn h LEU 31 N -0.98 0.79 0.32 2.57 3.38 -1.27 0.16 115.31 120.28 2wdn h LEU 31 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wdn h LEU 31 Cb 0.42 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2wdn h LEU 31 CO 0.03 0.48 -0.42 0.50 0.09 0.00 0.00 178.44 179.13 2wdn h LYS 32 N 0.88 -0.76 -0.47 1.13 3.64 -1.23 -1.20 116.57 118.55 2wdn h LYS 32 Ca 0.38 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.85 2wdn h LYS 32 Cb 0.33 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 2wdn h LYS 32 CO -0.15 -0.50 0.25 0.00 -2.27 0.00 0.00 179.45 176.78 2wdn h ARG 33 N -0.78 0.48 0.59 1.90 3.08 -0.56 -1.87 114.38 117.22 2wdn h ARG 33 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2wdn h ARG 33 Cb 0.73 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2wdn h ARG 33 CO -0.12 0.32 -0.47 0.00 -1.07 0.00 0.00 179.97 178.63 2wdn h ARG 34 N 0.50 -0.99 -0.56 0.04 3.08 -0.41 0.95 114.38 116.98 2wdn h ARG 34 Ca 0.20 0.07 0.11 0.00 0.07 0.00 0.00 59.98 60.43 2wdn h ARG 34 Cb 0.08 0.23 -0.11 0.00 0.08 0.00 0.00 29.97 30.25 2wdn h ARG 34 CO -0.13 -0.66 -0.23 0.00 -1.07 0.00 0.00 179.97 177.88 2wdn h ARG 35 N -1.03 -0.09 -0.10 0.04 3.08 -1.18 -0.86 114.38 114.23 2wdn h ARG 35 Ca -0.07 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.00 2wdn h ARG 35 Cb 0.87 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 2wdn h ARG 35 CO 0.00 -0.06 -0.17 0.37 -1.07 0.00 0.00 179.97 179.04 2wdn h GLN 36 N -0.09 -0.14 -0.49 0.04 -0.00 -0.71 -2.73 115.11 110.99 2wdn h GLN 36 Ca 0.26 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.99 2wdn h GLN 36 Cb 0.50 0.03 -0.10 0.00 0.00 0.00 0.00 27.48 27.91 2wdn h GLN 36 CO -0.63 -0.09 -0.46 -0.22 0.00 0.00 0.00 178.83 177.44 2wdn h LYS 37 N -0.14 -0.28 0.00 1.69 3.64 -0.11 -3.46 116.57 117.91 2wdn h LYS 37 Ca 0.02 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2wdn h LYS 37 Cb 0.20 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2wdn h LYS 37 CO -0.17 -0.19 0.00 0.41 -2.27 0.00 0.00 179.45 177.23 2wdn n GLY 38 N -1.40 -0.70 2.91 5.01 0.00 -0.40 -5.11 105.19 105.51 2wdn n GLY 38 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2wdn n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdn n ARG 39 N 0.00 0.00 0.12 1.61 5.12 -1.15 -4.85 116.66 117.51 2wdn n ARG 39 Ca 0.00 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 2wdn n ARG 39 Cb 0.00 -0.95 -0.01 0.00 -1.16 0.00 0.00 32.46 30.34 2wdn n ARG 39 CO 0.00 0.00 0.00 -1.49 -1.93 0.00 0.00 177.63 174.21 2wdn h TRP 40 N 1.24 0.00 -3.38 -1.55 4.06 -1.99 -3.43 115.95 110.91 2wdn h TRP 40 Ca -0.28 0.00 -0.66 0.00 2.06 0.00 0.00 58.89 60.01 2wdn h TRP 40 Cb 1.22 0.00 -0.33 0.00 -1.00 0.00 0.00 29.16 29.05 2wdn h TRP 40 CO 0.39 0.60 -0.87 0.50 -3.56 0.00 0.00 178.44 175.49 2wdn s ARG 41 N -2.91 2.84 -0.18 0.49 3.52 -1.26 -5.00 118.95 116.45 2wdn s ARG 41 Ca 0.03 -0.81 -0.07 0.00 -0.13 0.00 0.00 55.73 54.74 2wdn s ARG 41 Cb 0.08 -2.17 -0.22 0.00 -1.56 0.00 0.00 34.95 31.09 2wdn s ARG 41 CO 0.76 0.17 0.13 1.28 -0.81 0.00 0.00 175.30 176.82 2wdn n LEU 42 N 3.54 2.55 -4.80 -0.88 4.77 -1.26 -4.91 117.00 116.02 2wdn n LEU 42 Ca -0.19 0.16 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 2wdn n LEU 42 Cb 0.53 -1.02 -0.07 0.00 -2.33 0.00 0.00 43.42 40.53 2wdn n LEU 42 CO 0.28 0.77 -0.24 -0.89 -1.33 0.00 0.00 177.39 175.97 2wdn s THR 43 N -2.52 4.79 -0.03 -5.08 2.01 -1.26 -4.92 115.64 108.63 2wdn s THR 43 Ca -0.28 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 2wdn s THR 43 Cb 0.08 -3.21 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 2wdn s THR 43 CO 0.67 0.32 2.03 -2.65 -0.69 0.00 0.00 174.62 174.30 2wdn n PRO 44 N 1.07 2.61 -2.36 4.92 -0.02 -1.26 -4.87 135.00 135.09 2wdn n PRO 44 Ca -0.12 0.92 -0.39 0.00 -2.02 0.00 0.00 63.50 61.89 2wdn n PRO 44 Cb 0.53 -3.03 -0.03 0.00 -0.02 0.00 0.00 33.50 30.95 2wdn n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdn s ALA 45 N 5.32 3.25 0.21 3.55 0.00 -1.26 -4.96 121.76 127.87 2wdn s ALA 45 Ca 0.92 0.94 -0.22 0.00 0.00 0.00 0.00 51.96 53.60 2wdn s ALA 45 Cb -0.44 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.37 2wdn s ALA 45 CO 0.41 -0.40 0.67 0.08 0.00 0.00 0.00 175.76 176.52 2wdn s VAL 46 N -1.35 0.00 0.04 0.00 1.01 -1.26 -5.17 120.40 113.67 2wdn s VAL 46 Ca 0.53 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 2wdn s VAL 46 Cb -0.31 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 2wdn s VAL 46 CO 0.39 0.00 0.15 0.00 0.00 0.00 0.00 175.10 175.64 2wdn s ARG 47 N -3.81 0.66 0.43 2.72 1.04 -1.26 -5.17 118.95 113.55 2wdn s ARG 47 Ca 0.06 -0.72 0.07 0.00 -1.04 0.00 0.00 55.73 54.10 2wdn s ARG 47 Cb -0.03 0.26 -0.04 0.00 -2.04 0.00 0.00 34.95 33.10 2wdn s ARG 47 CO -0.03 -0.18 0.22 0.15 -0.04 0.00 0.00 175.30 175.42 2wdn s LYS 48 N -2.70 2.26 0.00 3.89 -0.14 -1.26 -5.11 119.74 116.68 2wdn s LYS 48 Ca -0.04 -1.87 0.00 0.00 -1.36 0.00 0.00 55.97 52.70 2wdn s LYS 48 Cb -0.01 -2.01 0.00 0.00 -1.68 0.00 0.00 37.83 34.13 2wdn s LYS 48 CO -0.05 -0.20 0.00 -2.13 -0.76 0.00 0.00 175.35 172.21