#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz s LYS 2 N 0.00 4.64 0.54 3.17 3.01 -1.26 -5.06 119.74 124.77 3huz s LYS 2 Ca 0.00 1.27 0.08 0.00 -1.01 0.00 0.00 55.97 56.31 3huz s LYS 2 Cb 0.00 -3.16 0.05 0.00 -1.01 0.00 0.00 37.83 33.72 3huz s LYS 2 CO 0.00 0.49 0.58 1.03 0.51 0.00 0.00 175.35 177.96 3huz s ARG 3 N -1.39 2.34 0.42 1.68 1.81 -1.26 -5.01 118.95 117.55 3huz s ARG 3 Ca 0.41 -1.76 0.09 0.00 -1.72 0.00 0.00 55.73 52.75 3huz s ARG 3 Cb -0.23 -2.41 0.92 0.00 -0.45 0.00 0.00 34.95 32.79 3huz s ARG 3 CO 0.27 -0.66 2.05 1.79 -0.68 0.00 0.00 175.30 178.07 3huz h THR 4 N 0.53 1.05 -3.63 0.02 1.35 -2.09 -3.40 112.91 106.73 3huz h THR 4 Ca -0.34 -0.17 -0.61 0.00 -0.55 0.00 0.00 66.41 64.73 3huz h THR 4 Cb 1.29 0.52 -0.12 0.00 -1.73 0.00 0.00 68.15 68.11 3huz h THR 4 CO 0.49 0.09 0.47 0.86 -0.25 0.00 0.00 175.52 177.18 3huz s TRP 5 N -5.45 2.97 -0.48 4.73 -0.00 -1.26 -4.87 118.94 114.58 3huz s TRP 5 Ca -0.08 0.31 0.08 0.00 -0.00 0.00 0.00 56.10 56.41 3huz s TRP 5 Cb 0.18 -3.79 0.36 0.00 -0.00 0.00 0.00 33.47 30.23 3huz s TRP 5 CO 0.73 -1.02 0.91 1.04 -0.00 0.00 0.00 176.95 178.62 3huz n GLN 6 N 6.91 2.46 -0.82 5.86 1.13 -1.26 -5.08 117.38 126.58 3huz n GLN 6 Ca 0.04 -4.27 -0.32 0.00 -1.94 0.00 0.00 57.00 50.51 3huz n GLN 6 Cb 0.48 -2.01 -0.04 0.00 0.11 0.00 0.00 30.24 28.78 3huz n GLN 6 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3huz n PRO 7 N -0.12 0.00 -3.75 -1.09 -0.04 -1.26 -4.96 135.00 123.78 3huz n PRO 7 Ca 0.29 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.62 3huz n PRO 7 Cb 0.54 -0.81 -0.13 0.00 -0.04 0.00 0.00 33.50 33.06 3huz n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3huz s ASN 8 N 0.12 -0.20 0.30 3.54 3.04 -1.26 -5.07 114.94 115.41 3huz s ASN 8 Ca 0.50 0.42 0.16 0.00 0.04 0.00 0.00 52.86 53.98 3huz s ASN 8 Cb -0.69 0.33 0.21 0.00 -1.54 0.00 0.00 41.25 39.55 3huz s ASN 8 CO 0.32 -0.14 1.51 0.03 -3.04 0.00 0.00 177.10 175.77 3huz h ARG 9 N 6.96 0.00 0.17 0.43 3.08 -1.96 -2.84 114.38 120.22 3huz h ARG 9 Ca -0.39 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.36 3huz h ARG 9 Cb 1.16 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.23 3huz h ARG 9 CO 0.39 0.47 -1.32 -0.09 -1.07 0.00 0.00 179.97 178.35 3huz h ARG 10 N 0.00 0.49 0.00 0.04 2.43 -1.97 -3.04 114.38 112.33 3huz h ARG 10 Ca -0.00 -0.76 0.00 0.00 -0.81 0.00 0.00 59.98 58.41 3huz h ARG 10 Cb 1.28 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 3huz h ARG 10 CO 0.06 1.35 0.00 1.17 -1.51 0.00 0.00 179.97 181.04 3huz n LYS 11 N -3.69 0.00 -0.54 0.20 3.00 -1.23 0.13 118.16 116.03 3huz n LYS 11 Ca -0.13 0.47 0.43 0.00 -0.00 0.00 0.00 58.31 59.08 3huz n LYS 11 Cb 1.04 -1.35 0.73 0.00 0.00 0.00 0.00 35.03 35.45 3huz n LYS 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3huz h ARG 12 N 0.00 0.04 0.04 1.64 2.43 -1.65 0.43 114.38 117.30 3huz h ARG 12 Ca 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3huz h ARG 12 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3huz h ARG 12 CO 0.00 0.03 -0.02 0.00 -1.51 0.00 0.00 179.97 178.47 3huz h ALA 13 N 1.34 -0.18 -0.47 2.80 0.00 -1.19 -2.49 119.26 119.06 3huz h ALA 13 Ca 0.84 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.87 3huz h ALA 13 Cb 3.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 20.81 3huz h ALA 13 CO -0.20 -0.17 0.55 0.87 0.00 0.00 0.00 179.25 180.30 3huz h LYS 14 N -0.23 0.00 0.00 0.00 1.57 0.24 0.36 116.57 118.51 3huz h LYS 14 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3huz h LYS 14 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3huz h LYS 14 CO 0.01 0.00 0.00 2.41 -0.57 0.00 0.00 179.45 181.30 3huz n THR 15 N -3.58 0.00 1.00 -0.16 -1.04 0.14 -4.61 114.28 106.03 3huz n THR 15 Ca 0.09 0.40 0.12 0.00 -2.04 0.00 0.00 64.05 62.62 3huz n THR 15 Cb 0.74 -1.24 0.31 0.00 -1.82 0.00 0.00 70.33 68.31 3huz n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3huz n HIS 16 N -1.84 0.00 -1.16 -1.42 8.25 -0.95 -4.66 115.22 113.45 3huz n HIS 16 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 3huz n HIS 16 Cb 0.00 -0.29 0.03 0.00 1.12 0.00 0.00 29.99 30.85 3huz n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3huz n GLY 17 N 1.50 -3.61 0.14 -1.41 0.00 0.12 -4.52 105.19 97.41 3huz n GLY 17 Ca 0.06 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 3huz n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3huz h PHE 18 N -0.41 0.05 -0.46 1.61 3.57 -1.94 -0.87 116.94 118.49 3huz h PHE 18 Ca -0.43 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.14 3huz h PHE 18 Cb 1.38 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 40.11 3huz h PHE 18 CO 0.23 -0.01 0.21 0.00 -2.23 0.00 0.00 178.31 176.51 3huz h ARG 19 N 0.13 0.41 -0.37 1.11 3.08 -1.92 -2.22 114.38 114.61 3huz h ARG 19 Ca 0.14 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.24 3huz h ARG 19 Cb 0.17 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 3huz h ARG 19 CO -0.21 0.27 -0.10 0.00 -1.07 0.00 0.00 179.97 178.86 3huz h ALA 20 N 1.26 0.23 0.00 0.04 0.00 -1.55 0.11 119.26 119.34 3huz h ALA 20 Ca 0.20 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3huz h ALA 20 Cb 0.14 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3huz h ALA 20 CO -0.16 -0.47 0.00 0.54 0.00 0.00 0.00 179.25 179.16 3huz n ARG 21 N -5.30 0.09 0.00 0.00 1.74 -0.44 -1.87 116.66 110.88 3huz n ARG 21 Ca 0.01 0.45 0.13 0.00 -0.77 0.00 0.00 57.85 57.67 3huz n ARG 21 Cb 0.21 -1.72 0.38 0.00 -1.02 0.00 0.00 32.46 30.32 3huz n ARG 21 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3huz n MET 22 N -1.89 0.21 -0.06 5.56 2.81 0.38 -0.61 117.12 123.52 3huz n MET 22 Ca 0.01 -0.10 -0.02 0.00 -1.81 0.00 0.00 57.70 55.78 3huz n MET 22 Cb 0.11 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.12 3huz n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3huz h ARG 23 N 0.25 0.00 -6.83 0.03 3.08 -1.32 -3.44 114.38 106.15 3huz h ARG 23 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3huz h ARG 23 Cb 0.48 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.58 3huz h ARG 23 CO 0.00 0.02 0.57 -0.08 -1.07 0.00 0.00 179.97 179.42 3huz s THR 24 N -1.78 3.06 0.32 2.04 -1.32 -1.26 -4.92 115.64 111.79 3huz s THR 24 Ca -0.05 1.05 0.03 0.00 -1.21 0.00 0.00 61.69 61.52 3huz s THR 24 Cb 0.01 -3.67 0.29 0.00 -1.51 0.00 0.00 72.50 67.62 3huz s THR 24 CO 0.08 0.24 1.89 1.55 -2.21 0.00 0.00 174.62 176.18 3huz h PRO 25 N 3.72 0.89 0.00 7.08 0.13 -1.90 0.33 132.00 142.24 3huz h PRO 25 Ca -0.48 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 3huz h PRO 25 Cb 1.22 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 3huz h PRO 25 CO 0.67 0.59 -0.04 0.78 -0.23 0.00 0.00 178.00 179.76 3huz h GLY 26 N 0.91 0.00 0.35 1.56 0.00 -1.91 -2.51 103.07 101.47 3huz h GLY 26 Ca 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 3huz h GLY 26 CO -0.17 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 174.92 3huz h GLY 27 N 1.63 -0.35 -0.29 4.60 0.00 -0.50 -1.84 103.07 106.32 3huz h GLY 27 Ca -0.00 0.13 0.29 0.00 0.00 0.00 0.00 47.33 47.75 3huz h GLY 27 CO 0.01 -0.13 0.70 3.21 0.00 0.00 0.00 176.54 180.33 3huz h ARG 28 N -0.99 0.32 0.00 4.80 3.08 -0.10 2.03 114.38 123.52 3huz h ARG 28 Ca -0.03 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 3huz h ARG 28 Cb 0.44 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3huz h ARG 28 CO 0.06 0.21 -0.50 -0.22 -1.07 0.00 0.00 179.97 178.45 3huz h LYS 29 N 0.33 0.00 0.05 0.04 3.64 -1.39 -0.29 116.57 118.96 3huz h LYS 29 Ca 0.63 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.01 3huz h LYS 29 Cb 1.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 3huz h LYS 29 CO -0.31 0.50 -0.06 0.28 -2.27 0.00 0.00 179.45 177.60 3huz h VAL 30 N 0.00 0.87 0.47 2.00 2.07 0.41 0.83 116.25 122.90 3huz h VAL 30 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3huz h VAL 30 Cb 0.99 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3huz h VAL 30 CO 0.07 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 177.36 3huz h LEU 31 N -0.12 -0.53 -0.18 2.57 3.38 -1.39 -1.12 115.31 117.91 3huz h LEU 31 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3huz h LEU 31 Cb 0.12 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3huz h LEU 31 CO -0.02 -0.29 0.90 0.50 0.09 0.00 0.00 178.44 179.63 3huz h LYS 32 N -0.83 0.00 0.01 1.13 3.11 -1.00 1.14 116.57 120.13 3huz h LYS 32 Ca -0.06 0.00 -0.38 0.00 -2.81 0.00 0.00 60.65 57.39 3huz h LYS 32 Cb 0.48 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.65 3huz h LYS 32 CO 0.11 0.00 -2.43 -2.13 -2.81 0.00 0.00 179.45 172.18 3huz n ARG 33 N -2.43 0.66 -0.03 1.90 0.63 0.28 -3.89 116.66 113.79 3huz n ARG 33 Ca -0.00 0.13 -0.15 0.00 -0.92 0.00 0.00 57.85 56.91 3huz n ARG 33 Cb 0.91 -1.53 -0.11 0.00 0.45 0.00 0.00 32.46 32.17 3huz n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3huz h ARG 34 N 0.00 0.17 -0.84 -0.14 3.08 0.23 -2.97 114.38 113.91 3huz h ARG 34 Ca -0.56 -0.16 0.21 0.00 0.07 0.00 0.00 59.98 59.53 3huz h ARG 34 Cb 1.97 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 31.94 3huz h ARG 34 CO -0.06 0.88 0.26 -0.09 -1.07 0.00 0.00 179.97 179.89 3huz h ARG 35 N -0.48 0.27 0.00 0.04 2.43 -0.16 1.27 114.38 117.75 3huz h ARG 35 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3huz h ARG 35 Cb 0.94 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3huz h ARG 35 CO 0.04 0.18 0.00 0.94 -1.51 0.00 0.00 179.97 179.62 3huz n GLN 36 N -5.15 0.77 0.00 0.20 7.27 -1.17 -2.55 117.38 116.74 3huz n GLN 36 Ca 0.19 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.31 3huz n GLN 36 Cb 0.60 -1.29 -0.01 0.00 2.41 0.00 0.00 30.24 31.95 3huz n GLN 36 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3huz n LYS 37 N -0.79 2.29 -0.84 3.69 4.81 0.43 -5.00 118.16 122.75 3huz n LYS 37 Ca 0.11 -0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.01 3huz n LYS 37 Cb 0.05 -1.05 0.00 0.00 0.02 0.00 0.00 35.03 34.05 3huz n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3huz n GLY 38 N 0.89 0.53 3.76 3.14 0.00 -1.00 -5.03 105.19 107.48 3huz n GLY 38 Ca 0.04 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 3huz n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huz s ARG 39 N -1.70 3.10 0.21 1.61 1.81 -1.22 -4.91 118.95 117.86 3huz s ARG 39 Ca 0.00 1.84 0.18 0.00 -1.72 0.00 0.00 55.73 56.03 3huz s ARG 39 Cb 0.00 -2.02 0.01 0.00 -0.45 0.00 0.00 34.95 32.49 3huz s ARG 39 CO 0.00 -1.10 1.18 -1.49 -0.68 0.00 0.00 175.30 173.21 3huz h TRP 40 N 1.09 0.00 -3.26 -0.53 4.06 -1.96 -3.42 115.95 111.94 3huz h TRP 40 Ca -0.50 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 59.83 3huz h TRP 40 Cb 1.29 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 29.05 3huz h TRP 40 CO 0.48 0.40 -0.72 1.03 -3.56 0.00 0.00 178.44 176.06 3huz s ARG 41 N -3.03 1.24 0.54 0.49 0.52 -1.26 -4.97 118.95 112.47 3huz s ARG 41 Ca 0.01 -1.76 0.21 0.00 -0.52 0.00 0.00 55.73 53.67 3huz s ARG 41 Cb 0.08 -2.56 1.44 0.00 0.52 0.00 0.00 34.95 34.43 3huz s ARG 41 CO 0.77 -1.05 2.17 -0.07 0.02 0.00 0.00 175.30 177.14 3huz h LEU 42 N 7.34 0.00 -8.42 2.53 3.38 -1.97 -3.43 115.31 114.74 3huz h LEU 42 Ca -0.07 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.61 3huz h LEU 42 Cb 0.97 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.55 3huz h LEU 42 CO 0.51 0.02 -0.72 0.28 0.09 0.00 0.00 178.44 178.62 3huz s THR 43 N -4.85 0.84 1.01 0.22 -1.32 -1.26 -4.83 115.64 105.45 3huz s THR 43 Ca -0.05 -1.66 -0.19 0.00 -1.21 0.00 0.00 61.69 58.58 3huz s THR 43 Cb 0.16 -1.36 -0.09 0.00 -1.51 0.00 0.00 72.50 69.69 3huz s THR 43 CO 0.63 -0.62 -0.66 -2.65 -2.21 0.00 0.00 174.62 169.11 3huz n PRO 44 N 0.49 -0.26 -3.91 7.08 -0.02 -1.26 -4.96 135.00 132.16 3huz n PRO 44 Ca -0.16 -0.06 -0.36 0.00 -2.02 0.00 0.00 63.50 60.90 3huz n PRO 44 Cb 0.58 -1.26 -0.13 0.00 -0.02 0.00 0.00 33.50 32.68 3huz n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3huz s ALA 45 N -2.11 3.06 0.14 3.55 0.00 -1.26 -5.01 121.76 120.13 3huz s ALA 45 Ca 0.44 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 3huz s ALA 45 Cb -0.11 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.15 3huz s ALA 45 CO 0.74 -0.33 0.40 0.08 0.00 0.00 0.00 175.76 176.65 3huz s VAL 46 N 1.32 0.07 0.22 0.00 1.01 -1.26 -5.12 120.40 116.63 3huz s VAL 46 Ca 0.04 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.44 3huz s VAL 46 Cb -0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 3huz s VAL 46 CO 0.02 -0.30 -0.17 0.00 0.00 0.00 0.00 175.10 174.65 3huz s ARG 47 N -3.83 1.42 0.00 2.72 1.04 -1.26 -5.15 118.95 113.89 3huz s ARG 47 Ca 0.05 -1.60 0.00 0.00 -1.04 0.00 0.00 55.73 53.14 3huz s ARG 47 Cb 0.02 -1.36 0.00 0.00 -2.04 0.00 0.00 34.95 31.57 3huz s ARG 47 CO -0.10 0.25 0.00 1.63 -0.04 0.00 0.00 175.30 177.04 3huz n LYS 48 N -0.29 2.27 0.00 3.89 4.76 -1.26 -5.04 118.16 122.49 3huz n LYS 48 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 3huz n LYS 48 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 3huz n LYS 48 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90