#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni s LYS 2 N 0.00 4.26 0.81 0.03 1.02 -1.26 -5.02 119.74 119.58 3kni s LYS 2 Ca 0.00 1.15 -0.06 0.00 0.02 0.00 0.00 55.97 57.08 3kni s LYS 2 Cb 0.00 -3.61 0.16 0.00 -0.52 0.00 0.00 37.83 33.85 3kni s LYS 2 CO 0.00 -0.49 1.12 1.03 -0.92 0.00 0.00 175.35 176.09 3kni s ARG 3 N 2.70 1.28 0.43 1.68 1.81 -1.26 -5.02 118.95 120.57 3kni s ARG 3 Ca 0.40 -0.86 0.16 0.00 -1.72 0.00 0.00 55.73 53.71 3kni s ARG 3 Cb -0.16 -2.15 0.97 0.00 -0.45 0.00 0.00 34.95 33.16 3kni s ARG 3 CO 0.09 -1.82 1.94 0.00 -0.68 0.00 0.00 175.30 174.83 3kni h THR 4 N -0.95 1.08 -3.18 0.02 1.03 -2.10 -3.40 112.91 105.40 3kni h THR 4 Ca -0.39 -0.87 -0.75 0.00 -0.01 0.00 0.00 66.41 64.38 3kni h THR 4 Cb 1.25 1.48 -0.24 0.00 -1.07 0.00 0.00 68.15 69.58 3kni h THR 4 CO 0.39 0.24 -0.28 0.86 -0.01 0.00 0.00 175.52 176.73 3kni s TRP 5 N -4.37 3.27 -0.64 0.00 -0.00 -1.26 -4.98 118.94 110.96 3kni s TRP 5 Ca -0.03 -1.25 0.01 0.00 -0.00 0.00 0.00 56.10 54.83 3kni s TRP 5 Cb 0.15 -3.56 0.16 0.00 -0.00 0.00 0.00 33.47 30.22 3kni s TRP 5 CO 0.69 -0.95 0.43 -0.65 -0.00 0.00 0.00 176.95 176.48 3kni s GLN 6 N 1.58 2.44 0.39 5.86 -1.52 -1.26 -5.09 119.66 122.06 3kni s GLN 6 Ca 0.04 -2.83 -0.26 0.00 -1.95 0.00 0.00 55.36 50.36 3kni s GLN 6 Cb -0.28 -3.56 -0.11 0.00 -0.22 0.00 0.00 33.01 28.84 3kni s GLN 6 CO 0.04 -1.19 1.21 -0.35 -0.25 0.00 0.00 175.29 174.75 3kni n PRO 7 N 2.90 1.84 -3.15 2.91 -0.04 -1.26 -5.01 135.00 133.18 3kni n PRO 7 Ca 0.11 0.65 0.05 0.00 -0.04 0.00 0.00 63.50 64.27 3kni n PRO 7 Cb 0.35 -2.26 -0.01 0.00 -0.04 0.00 0.00 33.50 31.54 3kni n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3kni s ASN 8 N -0.51 -0.86 0.07 3.54 3.04 -1.26 -5.08 114.94 113.88 3kni s ASN 8 Ca 0.60 0.50 -0.23 0.00 0.04 0.00 0.00 52.86 53.76 3kni s ASN 8 Cb -0.55 1.71 -0.10 0.00 -1.54 0.00 0.00 41.25 40.76 3kni s ASN 8 CO 0.59 -0.16 1.37 0.03 -3.04 0.00 0.00 177.10 175.89 3kni h ARG 9 N 7.97 -0.53 -0.15 0.43 3.08 -1.98 0.47 114.38 123.67 3kni h ARG 9 Ca -0.16 0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.93 3kni h ARG 9 Cb 1.17 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 3kni h ARG 9 CO 0.05 -0.35 -0.09 -2.13 -1.07 0.00 0.00 179.97 176.38 3kni n ARG 10 N -4.47 -0.06 0.00 0.04 3.00 -1.26 -1.55 116.66 112.35 3kni n ARG 10 Ca -0.06 0.94 0.00 0.00 -0.00 0.00 0.00 57.85 58.73 3kni n ARG 10 Cb 0.29 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.34 3kni n ARG 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3kni n LYS 11 N -3.24 0.00 0.00 -0.14 3.00 -1.07 -1.40 118.16 115.30 3kni n LYS 11 Ca 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 58.31 58.92 3kni n LYS 11 Cb 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 33.92 3kni n LYS 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3kni n ARG 12 N -1.53 0.00 -0.14 1.64 0.63 0.16 -1.39 116.66 116.04 3kni n ARG 12 Ca 0.00 0.19 -0.07 0.00 -0.92 0.00 0.00 57.85 57.05 3kni n ARG 12 Cb 0.00 -0.37 -0.01 0.00 0.45 0.00 0.00 32.46 32.52 3kni n ARG 12 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kni h ALA 13 N -0.70 -0.17 -0.40 5.13 0.00 -1.36 0.18 119.26 121.94 3kni h ALA 13 Ca 0.00 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.14 3kni h ALA 13 Cb 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3kni h ALA 13 CO 0.00 -0.73 0.86 0.87 0.00 0.00 0.00 179.25 180.25 3kni h LYS 14 N -0.24 0.00 0.00 0.00 1.79 -0.00 0.47 116.57 118.59 3kni h LYS 14 Ca 0.18 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.51 3kni h LYS 14 Cb 0.55 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 3kni h LYS 14 CO -0.58 0.00 -1.31 2.41 -1.08 0.00 0.00 179.45 178.89 3kni n THR 15 N -3.01 1.23 -0.72 -0.16 -1.04 0.53 -4.66 114.28 106.45 3kni n THR 15 Ca 0.08 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.16 3kni n THR 15 Cb 0.99 -1.94 0.37 0.00 -1.82 0.00 0.00 70.33 67.94 3kni n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3kni n HIS 16 N -4.00 1.90 -0.35 -1.42 8.25 -0.63 -4.72 115.22 114.26 3kni n HIS 16 Ca -0.22 -0.66 -0.29 0.00 -0.26 0.00 0.00 57.72 56.29 3kni n HIS 16 Cb 0.54 -0.47 0.27 0.00 1.12 0.00 0.00 29.99 31.44 3kni n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kni n GLY 17 N 0.58 -3.22 0.08 -1.41 0.00 0.16 -4.26 105.19 97.12 3kni n GLY 17 Ca 0.25 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 3kni n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kni h PHE 18 N -3.23 -0.04 -0.75 1.61 3.57 -1.90 -2.52 116.94 113.67 3kni h PHE 18 Ca -0.45 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.08 3kni h PHE 18 Cb 1.27 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.98 3kni h PHE 18 CO -2.50 0.65 0.47 0.00 -2.23 0.00 0.00 178.31 174.69 3kni h ARG 19 N -0.90 0.88 -0.16 1.11 3.08 -1.94 -2.79 114.38 113.66 3kni h ARG 19 Ca -0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.01 3kni h ARG 19 Cb 0.71 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3kni h ARG 19 CO 0.01 0.58 -0.12 0.00 -1.07 0.00 0.00 179.97 179.37 3kni h ALA 20 N 1.33 -0.22 -0.69 0.04 0.00 -1.86 -0.63 119.26 117.23 3kni h ALA 20 Ca 0.31 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.30 3kni h ALA 20 Cb 0.06 0.97 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 3kni h ALA 20 CO -0.13 -0.29 -0.41 0.54 0.00 0.00 0.00 179.25 178.96 3kni n ARG 21 N -3.38 -0.30 -0.45 0.00 5.12 -0.95 -2.59 116.66 114.10 3kni n ARG 21 Ca -0.00 1.29 0.38 0.00 -1.93 0.00 0.00 57.85 57.58 3kni n ARG 21 Cb 0.06 -1.90 0.63 0.00 -1.16 0.00 0.00 32.46 30.09 3kni n ARG 21 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3kni n MET 22 N -4.58 -0.03 0.00 5.56 2.81 -0.25 -2.82 117.12 117.82 3kni n MET 22 Ca 0.01 1.13 0.00 0.00 -1.81 0.00 0.00 57.70 57.03 3kni n MET 22 Cb 0.18 -2.26 0.00 0.00 -0.71 0.00 0.00 33.22 30.43 3kni n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3kni n ARG 23 N -4.46 0.00 -0.92 0.03 1.74 -1.07 -4.66 116.66 107.32 3kni n ARG 23 Ca 0.37 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 57.12 3kni n ARG 23 Cb 1.47 -0.68 -0.03 0.00 -1.02 0.00 0.00 32.46 32.20 3kni n ARG 23 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3kni n THR 24 N -0.30 0.85 0.13 0.55 5.66 -1.13 -4.73 114.28 115.31 3kni n THR 24 Ca 0.00 -0.21 -0.02 0.00 -3.05 0.00 0.00 64.05 60.77 3kni n THR 24 Cb 0.00 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 68.92 3kni n THR 24 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 3kni h PRO 25 N 1.07 0.02 -0.19 1.09 0.13 -1.86 -1.33 132.00 130.93 3kni h PRO 25 Ca -0.23 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 3kni h PRO 25 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 3kni h PRO 25 CO 0.38 0.66 0.05 0.78 -0.23 0.00 0.00 178.00 179.65 3kni h GLY 26 N 1.93 0.33 1.09 1.56 0.00 -1.90 -1.78 103.07 104.30 3kni h GLY 26 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.18 3kni h GLY 26 CO 0.09 0.19 0.46 -1.33 0.00 0.00 0.00 176.54 175.94 3kni h GLY 27 N 0.13 0.93 0.97 4.60 0.00 -1.66 -0.91 103.07 107.12 3kni h GLY 27 Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3kni h GLY 27 CO -0.00 0.23 0.24 3.21 0.00 0.00 0.00 176.54 180.22 3kni h ARG 28 N 0.75 0.65 -0.27 4.80 3.08 -0.73 -2.77 114.38 119.88 3kni h ARG 28 Ca 0.30 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 3kni h ARG 28 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3kni h ARG 28 CO -0.09 0.53 -0.15 -0.22 -1.07 0.00 0.00 179.97 178.96 3kni h LYS 29 N 0.60 0.47 0.28 0.04 3.64 -0.44 -1.92 116.57 119.24 3kni h LYS 29 Ca 0.16 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3kni h LYS 29 Cb 0.08 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3kni h LYS 29 CO -0.02 0.62 -0.24 0.28 -2.27 0.00 0.00 179.45 177.81 3kni h VAL 30 N 0.43 0.48 -0.89 2.00 2.07 -0.98 1.76 116.25 121.12 3kni h VAL 30 Ca 0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.70 3kni h VAL 30 Cb 0.52 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 3kni h VAL 30 CO 0.03 0.00 0.53 -0.07 0.02 0.00 0.00 177.57 178.08 3kni h LEU 31 N -0.54 0.76 -0.66 2.57 3.38 -1.30 2.01 115.31 121.54 3kni h LEU 31 Ca -0.01 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3kni h LEU 31 Cb 0.49 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3kni h LEU 31 CO -0.03 0.42 0.23 0.50 0.09 0.00 0.00 178.44 179.64 3kni h LYS 32 N 0.86 1.01 0.11 1.13 3.64 -0.68 0.15 116.57 122.79 3kni h LYS 32 Ca 0.44 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3kni h LYS 32 Cb 0.42 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3kni h LYS 32 CO -0.26 0.87 -0.05 0.00 -2.27 0.00 0.00 179.45 177.74 3kni h ARG 33 N 0.94 -0.14 -0.25 1.90 3.08 0.65 -2.66 114.38 117.90 3kni h ARG 33 Ca 0.21 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 3kni h ARG 33 Cb 0.26 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3kni h ARG 33 CO -0.01 0.25 0.13 0.00 -1.07 0.00 0.00 179.97 179.26 3kni h ARG 34 N -0.56 0.34 0.00 0.04 3.08 0.31 -1.55 114.38 116.03 3kni h ARG 34 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kni h ARG 34 Cb 0.45 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3kni h ARG 34 CO 0.02 0.26 0.00 -2.13 -1.07 0.00 0.00 179.97 177.05 3kni n ARG 35 N -4.46 0.42 -0.09 0.04 0.63 0.53 -1.35 116.66 112.37 3kni n ARG 35 Ca 0.01 0.03 -0.20 0.00 -0.92 0.00 0.00 57.85 56.77 3kni n ARG 35 Cb 0.10 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.39 3kni n ARG 35 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3kni n GLN 36 N -1.26 0.68 0.24 -0.14 7.27 -0.61 -3.75 117.38 119.80 3kni n GLN 36 Ca 0.13 0.20 0.10 0.00 0.07 0.00 0.00 57.00 57.50 3kni n GLN 36 Cb 0.21 -1.58 0.61 0.00 2.41 0.00 0.00 30.24 31.89 3kni n GLN 36 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3kni h LYS 37 N -0.06 0.00 -0.59 3.69 3.64 -1.41 -3.46 116.57 118.37 3kni h LYS 37 Ca -0.53 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 3kni h LYS 37 Cb 1.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 3kni h LYS 37 CO -0.06 0.18 -0.02 0.41 -2.27 0.00 0.00 179.45 177.69 3kni n GLY 38 N -0.65 0.59 3.60 5.01 0.00 -0.46 -5.00 105.19 108.28 3kni n GLY 38 Ca -0.02 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 3kni n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni n ARG 39 N -0.89 -0.22 -0.01 1.61 5.12 -0.70 -4.90 116.66 116.67 3kni n ARG 39 Ca -0.01 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.75 3kni n ARG 39 Cb 0.50 -2.23 -0.09 0.00 -1.16 0.00 0.00 32.46 29.48 3kni n ARG 39 CO 0.00 0.00 0.00 -1.49 -1.93 0.00 0.00 177.63 174.21 3kni h TRP 40 N -1.48 0.74 -3.59 -1.55 4.06 -1.94 -3.43 115.95 108.76 3kni h TRP 40 Ca -0.44 -0.35 -0.67 0.00 2.06 0.00 0.00 58.89 59.49 3kni h TRP 40 Cb 1.28 -0.10 -0.36 0.00 -1.00 0.00 0.00 29.16 28.98 3kni h TRP 40 CO 0.45 1.15 -0.81 1.03 -3.56 0.00 0.00 178.44 176.70 3kni s ARG 41 N -3.54 2.52 0.41 0.49 0.52 -1.26 -4.99 118.95 113.10 3kni s ARG 41 Ca -0.12 -1.16 0.22 0.00 -0.52 0.00 0.00 55.73 54.14 3kni s ARG 41 Cb 0.05 -2.81 0.81 0.00 0.52 0.00 0.00 34.95 33.53 3kni s ARG 41 CO 0.84 -0.45 1.78 -0.07 0.02 0.00 0.00 175.30 177.43 3kni h LEU 42 N 7.85 0.00 -8.74 2.53 3.38 -1.95 -3.46 115.31 114.92 3kni h LEU 42 Ca -0.28 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.38 3kni h LEU 42 Cb 1.08 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 3kni h LEU 42 CO 0.53 0.29 -0.63 0.28 0.09 0.00 0.00 178.44 178.99 3kni s THR 43 N -3.64 0.48 0.09 0.22 -1.32 -1.26 -4.91 115.64 105.30 3kni s THR 43 Ca 0.00 -1.99 -0.30 0.00 -1.21 0.00 0.00 61.69 58.20 3kni s THR 43 Cb 0.11 -2.42 -0.05 0.00 -1.51 0.00 0.00 72.50 68.62 3kni s THR 43 CO 0.66 -0.18 1.01 -2.84 -2.21 0.00 0.00 174.62 171.06 3kni s PRO 44 N -4.02 4.62 0.19 7.08 0.02 -1.26 -5.01 135.00 136.63 3kni s PRO 44 Ca 0.33 1.52 0.05 0.00 0.02 0.00 0.00 61.00 62.92 3kni s PRO 44 Cb 0.07 -3.38 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 3kni s PRO 44 CO 0.10 0.08 0.19 0.00 -0.33 0.00 0.00 177.00 177.04 3kni s ALA 45 N 0.30 3.64 -0.30 -1.55 0.00 -1.26 -4.87 121.76 117.72 3kni s ALA 45 Ca 0.50 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 3kni s ALA 45 Cb -0.24 -1.42 0.18 0.00 0.00 0.00 0.00 23.12 21.64 3kni s ALA 45 CO 0.30 0.42 1.12 0.08 0.00 0.00 0.00 175.76 177.68 3kni s VAL 46 N -1.87 -0.24 0.72 0.00 1.01 -1.26 -5.13 120.40 113.63 3kni s VAL 46 Ca 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 3kni s VAL 46 Cb -0.09 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.32 3kni s VAL 46 CO 0.25 0.00 1.10 0.00 0.00 0.00 0.00 175.10 176.44 3kni s ARG 47 N 2.05 2.51 0.12 2.72 1.04 -1.26 -5.04 118.95 121.08 3kni s ARG 47 Ca -0.03 1.24 -0.05 0.00 -1.04 0.00 0.00 55.73 55.85 3kni s ARG 47 Cb -0.03 -1.92 -0.05 0.00 -2.04 0.00 0.00 34.95 30.90 3kni s ARG 47 CO -0.16 -1.46 0.36 0.15 -0.04 0.00 0.00 175.30 174.16 3kni s LYS 48 N -4.59 3.63 0.00 3.89 -0.14 -1.26 -5.11 119.74 116.16 3kni s LYS 48 Ca 0.63 -0.06 0.00 0.00 -1.36 0.00 0.00 55.97 55.18 3kni s LYS 48 Cb -0.18 -2.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.07 3kni s LYS 48 CO 0.50 0.50 0.00 -2.13 -0.76 0.00 0.00 175.35 173.46