#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n LYS 2 N 0.00 1.76 -2.01 0.03 4.01 -1.26 -4.94 118.16 115.75 2wh4 n LYS 2 Ca 0.00 0.49 -0.30 0.00 -0.51 0.00 0.00 58.31 57.99 2wh4 n LYS 2 Cb 0.00 -3.00 0.02 0.00 -0.51 0.00 0.00 35.03 31.54 2wh4 n LYS 2 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2wh4 s ARG 3 N 6.19 3.32 0.19 1.97 1.81 -1.26 -4.99 118.95 126.17 2wh4 s ARG 3 Ca 1.03 0.53 -0.12 0.00 -1.72 0.00 0.00 55.73 55.45 2wh4 s ARG 3 Cb -0.49 -2.11 0.13 0.00 -0.45 0.00 0.00 34.95 32.03 2wh4 s ARG 3 CO 0.40 -0.67 1.84 1.79 -0.68 0.00 0.00 175.30 177.98 2wh4 h THR 4 N -0.34 1.11 -3.45 0.02 1.35 -2.10 -3.40 112.91 106.10 2wh4 h THR 4 Ca -0.45 -0.27 -0.56 0.00 -0.55 0.00 0.00 66.41 64.58 2wh4 h THR 4 Cb 1.22 0.24 -0.07 0.00 -1.73 0.00 0.00 68.15 67.81 2wh4 h THR 4 CO 0.62 0.15 0.97 0.86 -0.25 0.00 0.00 175.52 177.87 2wh4 s TRP 5 N -6.13 2.67 -0.53 4.73 -0.00 -1.26 -4.94 118.94 113.48 2wh4 s TRP 5 Ca -0.13 0.59 0.04 0.00 -0.00 0.00 0.00 56.10 56.60 2wh4 s TRP 5 Cb 0.14 -4.46 0.15 0.00 -0.00 0.00 0.00 33.47 29.30 2wh4 s TRP 5 CO 0.76 -1.49 0.33 -0.65 -0.00 0.00 0.00 176.95 175.91 2wh4 s GLN 6 N 4.74 1.71 0.11 5.86 -1.52 -1.26 -5.10 119.66 124.20 2wh4 s GLN 6 Ca 0.48 -2.54 -0.35 0.00 -1.95 0.00 0.00 55.36 50.99 2wh4 s GLN 6 Cb -0.08 -2.71 -0.17 0.00 -0.22 0.00 0.00 33.01 29.83 2wh4 s GLN 6 CO 0.29 -1.22 1.22 -0.35 -0.25 0.00 0.00 175.29 174.98 2wh4 n PRO 7 N 2.88 0.98 -3.28 2.91 -0.04 -1.26 -5.02 135.00 132.18 2wh4 n PRO 7 Ca 0.14 0.35 -0.06 0.00 -0.04 0.00 0.00 63.50 63.90 2wh4 n PRO 7 Cb 0.36 -1.90 -0.05 0.00 -0.04 0.00 0.00 33.50 31.87 2wh4 n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wh4 s ASN 8 N 0.20 -0.12 0.24 3.54 3.04 -1.26 -5.06 114.94 115.52 2wh4 s ASN 8 Ca 0.80 0.00 -0.09 0.00 0.04 0.00 0.00 52.86 53.62 2wh4 s ASN 8 Cb -0.95 1.35 0.39 0.00 -1.54 0.00 0.00 41.25 40.50 2wh4 s ASN 8 CO 0.50 -0.32 1.64 0.03 -3.04 0.00 0.00 177.10 175.91 2wh4 h ARG 9 N 8.13 0.08 -0.15 0.43 3.08 -1.97 -0.63 114.38 123.34 2wh4 h ARG 9 Ca -0.12 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.94 2wh4 h ARG 9 Cb 1.14 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 2wh4 h ARG 9 CO 0.25 0.05 0.01 -0.09 -1.07 0.00 0.00 179.97 179.13 2wh4 h ARG 10 N 0.08 0.07 0.18 0.04 2.43 -1.99 -0.60 114.38 114.59 2wh4 h ARG 10 Ca 0.39 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 2wh4 h ARG 10 Cb 0.66 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 2wh4 h ARG 10 CO -0.66 0.04 -0.29 -0.22 -1.51 0.00 0.00 179.97 177.34 2wh4 h LYS 11 N 0.07 -0.53 -0.35 0.20 1.63 -1.60 0.45 116.57 116.44 2wh4 h LYS 11 Ca 0.07 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.97 2wh4 h LYS 11 Cb 0.07 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.76 2wh4 h LYS 11 CO -0.10 -0.35 -0.02 -0.09 -3.45 0.00 0.00 179.45 175.44 2wh4 h ARG 12 N -0.55 0.07 0.76 1.90 2.43 -1.08 0.39 114.38 118.31 2wh4 h ARG 12 Ca 0.02 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2wh4 h ARG 12 Cb 0.55 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2wh4 h ARG 12 CO -0.13 0.05 -0.37 0.00 -1.51 0.00 0.00 179.97 178.01 2wh4 h ALA 13 N 1.32 -1.03 -0.85 2.80 0.00 -0.81 -1.42 119.26 119.28 2wh4 h ALA 13 Ca 0.17 -0.23 0.17 0.00 0.00 0.00 0.00 54.91 55.02 2wh4 h ALA 13 Cb 0.25 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 2wh4 h ALA 13 CO -0.31 -1.04 0.41 -0.22 0.00 0.00 0.00 179.25 178.09 2wh4 h LYS 14 N -1.10 0.52 0.02 0.00 1.63 0.35 0.30 116.57 118.28 2wh4 h LYS 14 Ca -0.10 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.66 2wh4 h LYS 14 Cb 0.80 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 2wh4 h LYS 14 CO 0.17 0.34 -0.01 1.15 -3.45 0.00 0.00 179.45 177.66 2wh4 h THR 15 N 0.53 1.33 -0.40 1.00 2.02 -0.16 -3.38 112.91 113.85 2wh4 h THR 15 Ca 0.48 -1.90 -0.05 0.00 0.77 0.00 0.00 66.41 65.72 2wh4 h THR 15 Cb 0.77 2.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.62 2wh4 h THR 15 CO -0.42 0.43 0.03 1.41 0.37 0.00 0.00 175.52 177.35 2wh4 n HIS 16 N -4.69 1.42 -0.80 3.16 8.25 -0.54 -4.84 115.22 117.18 2wh4 n HIS 16 Ca -0.08 -0.96 -0.28 0.00 -0.26 0.00 0.00 57.72 56.14 2wh4 n HIS 16 Cb 0.35 -0.43 0.22 0.00 1.12 0.00 0.00 29.99 31.26 2wh4 n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wh4 s GLY 17 N -1.63 1.55 0.00 -1.41 0.00 0.10 -4.30 107.32 101.64 2wh4 s GLY 17 Ca 0.47 -0.23 -0.22 0.00 0.00 0.00 0.00 44.72 44.74 2wh4 s GLY 17 CO 0.10 0.45 1.21 -2.75 0.00 0.00 0.00 173.10 172.12 2wh4 h PHE 18 N -2.34 0.34 -0.32 1.90 3.57 -1.96 -0.59 116.94 117.54 2wh4 h PHE 18 Ca -0.59 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 60.72 2wh4 h PHE 18 Cb 1.33 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 2wh4 h PHE 18 CO 0.27 0.81 -0.04 0.00 -2.23 0.00 0.00 178.31 177.12 2wh4 h ARG 19 N -0.23 0.51 -0.10 1.11 3.08 -1.93 0.08 114.38 116.89 2wh4 h ARG 19 Ca -0.00 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2wh4 h ARG 19 Cb 0.81 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 2wh4 h ARG 19 CO 0.04 0.57 0.03 0.00 -1.07 0.00 0.00 179.97 179.54 2wh4 h ALA 20 N 1.48 0.14 0.04 0.04 0.00 -1.84 -2.47 119.26 116.64 2wh4 h ALA 20 Ca 0.10 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wh4 h ALA 20 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wh4 h ALA 20 CO 0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 179.25 178.96 2wh4 h ARG 21 N -0.04 -0.14 -1.02 0.00 2.47 -0.60 -2.92 114.38 112.13 2wh4 h ARG 21 Ca 0.03 0.01 0.26 0.00 -1.26 0.00 0.00 59.98 59.02 2wh4 h ARG 21 Cb 0.24 0.03 -0.12 0.00 -1.65 0.00 0.00 29.97 28.48 2wh4 h ARG 21 CO 0.00 -0.09 0.62 0.52 0.56 0.00 0.00 179.97 181.58 2wh4 h MET 22 N -0.15 0.49 0.00 0.04 2.86 -0.86 -2.64 114.93 114.67 2wh4 h MET 22 Ca 0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2wh4 h MET 22 Cb 0.16 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2wh4 h MET 22 CO -0.04 0.33 0.00 0.54 1.06 0.00 0.00 176.91 178.79 2wh4 n ARG 23 N -4.81 0.00 -2.53 1.72 5.12 -0.94 -4.67 116.66 110.55 2wh4 n ARG 23 Ca 0.27 0.69 -0.37 0.00 -1.93 0.00 0.00 57.85 56.51 2wh4 n ARG 23 Cb 0.81 -1.43 -0.04 0.00 -1.16 0.00 0.00 32.46 30.64 2wh4 n ARG 23 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2wh4 s THR 24 N -2.73 3.69 0.24 0.55 -1.32 -1.21 -4.94 115.64 109.93 2wh4 s THR 24 Ca 0.00 1.30 0.35 0.00 -1.21 0.00 0.00 61.69 62.13 2wh4 s THR 24 Cb 0.00 -3.68 0.36 0.00 -1.51 0.00 0.00 72.50 67.68 2wh4 s THR 24 CO 0.00 0.02 2.07 1.55 -2.21 0.00 0.00 174.62 176.04 2wh4 h PRO 25 N 2.52 0.00 0.02 7.08 0.13 -1.85 -2.36 132.00 137.54 2wh4 h PRO 25 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2wh4 h PRO 25 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wh4 h PRO 25 CO 0.62 0.00 -0.14 0.78 -0.23 0.00 0.00 178.00 179.04 2wh4 h GLY 26 N 0.56 0.07 1.24 1.56 0.00 -1.92 -3.11 103.07 101.47 2wh4 h GLY 26 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2wh4 h GLY 26 CO 0.00 0.14 0.49 -1.33 0.00 0.00 0.00 176.54 175.84 2wh4 h GLY 27 N -0.80 1.09 0.98 4.60 0.00 -1.51 -1.19 103.07 106.24 2wh4 h GLY 27 Ca -0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2wh4 h GLY 27 CO 0.03 0.41 0.14 3.21 0.00 0.00 0.00 176.54 180.33 2wh4 h ARG 28 N 1.04 0.31 -0.00 4.80 3.08 -1.06 -1.16 114.38 121.39 2wh4 h ARG 28 Ca 0.28 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 2wh4 h ARG 28 Cb -0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 2wh4 h ARG 28 CO -0.06 0.24 -0.09 -0.22 -1.07 0.00 0.00 179.97 178.78 2wh4 h LYS 29 N 0.29 0.00 -0.42 0.04 3.64 -1.33 0.47 116.57 119.27 2wh4 h LYS 29 Ca 0.08 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 2wh4 h LYS 29 Cb 0.01 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2wh4 h LYS 29 CO -0.02 0.09 -0.15 0.28 -2.27 0.00 0.00 179.45 177.39 2wh4 h VAL 30 N 0.00 1.26 -0.01 2.00 2.07 -0.20 0.15 116.25 121.53 2wh4 h VAL 30 Ca 0.00 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 2wh4 h VAL 30 Cb 0.16 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2wh4 h VAL 30 CO 0.01 0.42 -0.02 -0.07 0.02 0.00 0.00 177.57 177.93 2wh4 h LEU 31 N 0.70 0.04 -0.96 2.57 3.38 0.25 -2.00 115.31 119.28 2wh4 h LEU 31 Ca 0.11 -0.52 0.18 0.00 0.09 0.00 0.00 57.88 57.74 2wh4 h LEU 31 Cb 0.64 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 2wh4 h LEU 31 CO 0.05 0.55 0.55 0.50 0.09 0.00 0.00 178.44 180.18 2wh4 h LYS 32 N -0.48 0.68 -0.43 1.13 3.64 0.04 0.18 116.57 121.33 2wh4 h LYS 32 Ca 0.00 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 2wh4 h LYS 32 Cb 0.54 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2wh4 h LYS 32 CO 0.00 0.45 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.49 2wh4 h ARG 33 N 0.70 0.79 -0.15 1.90 2.43 -0.61 -2.60 114.38 116.86 2wh4 h ARG 33 Ca 0.55 -0.28 -0.10 0.00 -0.81 0.00 0.00 59.98 59.33 2wh4 h ARG 33 Cb 0.85 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2wh4 h ARG 33 CO -0.39 0.89 -0.31 0.00 -1.51 0.00 0.00 179.97 178.65 2wh4 h ARG 34 N 0.62 0.48 -0.20 0.20 3.08 -0.42 -2.27 114.38 115.87 2wh4 h ARG 34 Ca 0.11 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2wh4 h ARG 34 Cb 0.57 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2wh4 h ARG 34 CO 0.03 0.92 0.10 -0.09 -1.07 0.00 0.00 179.97 179.86 2wh4 h ARG 35 N 0.10 0.27 0.00 0.04 2.43 -0.76 -1.21 114.38 115.24 2wh4 h ARG 35 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wh4 h ARG 35 Cb 0.91 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2wh4 h ARG 35 CO 0.07 0.21 -0.25 0.37 -1.51 0.00 0.00 179.97 178.86 2wh4 h GLN 36 N 0.27 0.00 0.00 0.20 4.15 -1.33 -3.21 115.11 115.20 2wh4 h GLN 36 Ca 0.07 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.35 2wh4 h GLN 36 Cb 0.02 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2wh4 h GLN 36 CO -0.01 0.00 -0.97 -0.22 -1.93 0.00 0.00 178.83 175.70 2wh4 h LYS 37 N 0.00 0.00 -0.02 1.69 3.64 -0.65 -3.48 116.57 117.76 2wh4 h LYS 37 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wh4 h LYS 37 Cb 0.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2wh4 h LYS 37 CO 0.00 0.45 0.00 0.41 -2.27 0.00 0.00 179.45 178.04 2wh4 n GLY 38 N 1.32 1.68 3.76 5.01 0.00 -0.78 -5.06 105.19 111.13 2wh4 n GLY 38 Ca -0.04 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2wh4 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh4 s ARG 39 N -1.16 4.42 0.34 1.61 1.81 -0.98 -4.92 118.95 120.07 2wh4 s ARG 39 Ca 0.00 2.11 0.17 0.00 -1.72 0.00 0.00 55.73 56.29 2wh4 s ARG 39 Cb 0.00 -3.11 0.52 0.00 -0.45 0.00 0.00 34.95 31.91 2wh4 s ARG 39 CO 0.00 -0.10 1.66 -1.49 -0.68 0.00 0.00 175.30 174.69 2wh4 h TRP 40 N 3.67 0.00 -3.60 -0.53 4.06 -1.97 -3.41 115.95 114.17 2wh4 h TRP 40 Ca -0.48 0.00 -0.63 0.00 2.06 0.00 0.00 58.89 59.84 2wh4 h TRP 40 Cb 1.22 0.00 -0.39 0.00 -1.00 0.00 0.00 29.16 28.99 2wh4 h TRP 40 CO 0.57 0.45 -0.76 1.03 -3.56 0.00 0.00 178.44 176.18 2wh4 s ARG 41 N -3.50 1.48 0.03 0.49 0.52 -1.26 -5.01 118.95 111.70 2wh4 s ARG 41 Ca 0.00 -1.42 -0.27 0.00 -0.52 0.00 0.00 55.73 53.52 2wh4 s ARG 41 Cb 0.11 -2.77 -0.15 0.00 0.52 0.00 0.00 34.95 32.65 2wh4 s ARG 41 CO 0.71 -0.81 1.23 -0.07 0.02 0.00 0.00 175.30 176.38 2wh4 h LEU 42 N 7.81 -0.83-10.38 2.53 3.38 -1.95 -3.44 115.31 112.43 2wh4 h LEU 42 Ca -0.12 0.03 -0.45 0.00 0.09 0.00 0.00 57.88 57.43 2wh4 h LEU 42 Cb 1.04 0.22 0.03 0.00 0.09 0.00 0.00 40.66 42.03 2wh4 h LEU 42 CO 0.47 -0.52 -0.15 0.28 0.09 0.00 0.00 178.44 178.62 2wh4 s THR 43 N -4.87 3.72 0.61 0.22 -1.32 -1.26 -4.98 115.64 107.76 2wh4 s THR 43 Ca -0.14 -0.67 -0.17 0.00 -1.21 0.00 0.00 61.69 59.49 2wh4 s THR 43 Cb 0.01 -3.35 -0.02 0.00 -1.51 0.00 0.00 72.50 67.63 2wh4 s THR 43 CO 0.43 -0.21 1.15 -2.84 -2.21 0.00 0.00 174.62 170.93 2wh4 s PRO 44 N -4.49 2.96 -0.13 7.08 0.02 -1.26 -5.00 135.00 134.17 2wh4 s PRO 44 Ca 0.50 1.60 -0.24 0.00 0.02 0.00 0.00 61.00 62.88 2wh4 s PRO 44 Cb -0.10 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 2wh4 s PRO 44 CO 0.36 -1.16 0.74 0.00 -0.33 0.00 0.00 177.00 176.61 2wh4 s ALA 45 N -1.95 3.44 -0.29 -1.55 0.00 -1.26 -5.02 121.76 115.13 2wh4 s ALA 45 Ca 0.72 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.57 2wh4 s ALA 45 Cb -0.25 -3.08 0.13 0.00 0.00 0.00 0.00 23.12 19.93 2wh4 s ALA 45 CO 0.35 -0.41 0.77 0.08 0.00 0.00 0.00 175.76 176.55 2wh4 s VAL 46 N 1.56 -0.54 0.39 0.00 1.01 -1.26 -5.13 120.40 116.44 2wh4 s VAL 46 Ca 0.36 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2wh4 s VAL 46 Cb -0.17 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 2wh4 s VAL 46 CO 0.14 0.00 0.15 -2.11 0.00 0.00 0.00 175.10 173.28 2wh4 n ARG 47 N 4.87 0.58 -4.75 2.72 -4.01 -1.26 -5.07 116.66 109.74 2wh4 n ARG 47 Ca -0.14 -3.33 -0.33 0.00 -1.04 0.00 0.00 57.85 53.01 2wh4 n ARG 47 Cb 0.53 1.86 -0.07 0.00 -3.04 0.00 0.00 32.46 31.74 2wh4 n ARG 47 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 2wh4 s LYS 48 N -3.49 2.21 0.00 2.89 -0.14 -1.26 -5.07 119.74 114.88 2wh4 s LYS 48 Ca 0.21 -2.41 0.00 0.00 -1.36 0.00 0.00 55.97 52.41 2wh4 s LYS 48 Cb 0.01 -1.54 0.00 0.00 -1.68 0.00 0.00 37.83 34.62 2wh4 s LYS 48 CO 0.15 -0.39 0.00 -2.13 -0.76 0.00 0.00 175.35 172.22