#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f s LYS 2 N 0.00 3.21 0.77 3.17 1.02 -1.26 -4.99 119.74 121.67 3f1f s LYS 2 Ca 0.00 0.24 -0.13 0.00 0.02 0.00 0.00 55.97 56.10 3f1f s LYS 2 Cb 0.00 -4.16 0.19 0.00 -0.52 0.00 0.00 37.83 33.35 3f1f s LYS 2 CO 0.00 -2.06 0.61 0.54 -0.92 0.00 0.00 175.35 173.52 3f1f n ARG 3 N 8.92 -2.71 0.09 1.68 5.12 -1.26 -5.00 116.66 123.50 3f1f n ARG 3 Ca 0.10 -0.99 -0.23 0.00 -1.93 0.00 0.00 57.85 54.80 3f1f n ARG 3 Cb 0.49 -1.02 -0.15 0.00 -1.16 0.00 0.00 32.46 30.63 3f1f n ARG 3 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3f1f h THR 4 N -2.46 1.03 -3.10 0.55 1.03 -2.09 -3.44 112.91 104.43 3f1f h THR 4 Ca -0.24 -2.58 -0.61 0.00 -0.01 0.00 0.00 66.41 62.97 3f1f h THR 4 Cb 0.76 2.84 -0.12 0.00 -1.07 0.00 0.00 68.15 70.55 3f1f h THR 4 CO 0.15 0.85 0.57 0.86 -0.01 0.00 0.00 175.52 177.94 3f1f s TRP 5 N -2.59 2.76 -0.53 0.00 -0.11 -1.26 -4.98 118.94 112.24 3f1f s TRP 5 Ca -0.14 -0.10 -0.04 0.00 1.22 0.00 0.00 56.10 57.05 3f1f s TRP 5 Cb 0.05 -4.12 0.14 0.00 -1.50 0.00 0.00 33.47 28.04 3f1f s TRP 5 CO 0.88 -1.41 0.34 -0.65 -4.62 0.00 0.00 176.95 171.49 3f1f s GLN 6 N 4.00 2.34 0.55 5.86 -1.52 -1.26 -5.08 119.66 124.55 3f1f s GLN 6 Ca 0.29 -2.17 -0.20 0.00 -1.95 0.00 0.00 55.36 51.33 3f1f s GLN 6 Cb -0.13 -3.70 -0.06 0.00 -0.22 0.00 0.00 33.01 28.90 3f1f s GLN 6 CO 0.18 -1.14 1.05 -2.30 -0.25 0.00 0.00 175.29 172.83 3f1f n PRO 7 N 4.07 1.16 -3.35 2.91 -0.02 -1.26 -4.99 135.00 133.52 3f1f n PRO 7 Ca 0.02 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 61.96 3f1f n PRO 7 Cb 0.40 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 3f1f n PRO 7 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3f1f s ASN 8 N -1.05 -0.93 0.21 2.55 3.04 -1.26 -5.06 114.94 112.44 3f1f s ASN 8 Ca 0.72 0.94 -0.07 0.00 0.04 0.00 0.00 52.86 54.49 3f1f s ASN 8 Cb -0.45 1.93 0.16 0.00 -1.54 0.00 0.00 41.25 41.35 3f1f s ASN 8 CO 0.50 -0.18 1.71 0.03 -3.04 0.00 0.00 177.10 176.12 3f1f h ARG 9 N 7.86 1.05 0.17 0.43 3.08 -1.96 -2.24 114.38 122.77 3f1f h ARG 9 Ca -0.18 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.59 3f1f h ARG 9 Cb 1.13 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3f1f h ARG 9 CO 0.10 0.97 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.80 3f1f h ARG 10 N 0.98 -0.22 -0.66 0.04 2.43 -1.97 -1.93 114.38 113.04 3f1f h ARG 10 Ca 0.19 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.50 3f1f h ARG 10 Cb 0.44 0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 29.91 3f1f h ARG 10 CO 0.01 0.13 -0.29 -0.22 -1.51 0.00 0.00 179.97 178.09 3f1f h LYS 11 N -0.61 -0.10 0.35 0.20 1.63 -1.95 0.28 116.57 116.37 3f1f h LYS 11 Ca -0.02 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3f1f h LYS 11 Cb 0.45 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 3f1f h LYS 11 CO 0.04 -0.06 -0.31 -0.09 -3.45 0.00 0.00 179.45 175.57 3f1f h ARG 12 N -0.10 -0.65 -0.57 1.90 2.43 -1.27 0.22 114.38 116.34 3f1f h ARG 12 Ca 0.28 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 3f1f h ARG 12 Cb 0.55 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 3f1f h ARG 12 CO -0.72 -0.43 0.26 0.00 -1.51 0.00 0.00 179.97 177.56 3f1f h ALA 13 N -0.15 0.73 0.00 2.80 0.00 -0.78 0.12 119.26 121.98 3f1f h ALA 13 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3f1f h ALA 13 Cb 0.60 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3f1f h ALA 13 CO -0.03 0.31 -0.05 -0.22 0.00 0.00 0.00 179.25 179.25 3f1f h LYS 14 N 0.77 0.00 0.00 0.00 1.63 -0.11 -1.54 116.57 117.32 3f1f h LYS 14 Ca 0.19 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.87 3f1f h LYS 14 Cb 0.14 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3f1f h LYS 14 CO -0.02 0.05 -1.35 2.41 -3.45 0.00 0.00 179.45 177.09 3f1f n THR 15 N -3.35 1.46 0.43 1.00 -1.04 0.74 -4.68 114.28 108.84 3f1f n THR 15 Ca -0.02 0.01 0.11 0.00 -2.04 0.00 0.00 64.05 62.11 3f1f n THR 15 Cb 0.20 -2.17 0.17 0.00 -1.82 0.00 0.00 70.33 66.71 3f1f n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3f1f n HIS 16 N -4.32 0.33 -0.68 -1.42 8.25 0.30 -4.76 115.22 112.93 3f1f n HIS 16 Ca -0.24 -0.19 -0.31 0.00 -0.26 0.00 0.00 57.72 56.73 3f1f n HIS 16 Cb 0.59 -0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.86 3f1f n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3f1f s GLY 17 N -1.48 1.69 0.19 -1.41 0.00 -0.58 -4.62 107.32 101.11 3f1f s GLY 17 Ca 0.32 0.59 -0.11 0.00 0.00 0.00 0.00 44.72 45.52 3f1f s GLY 17 CO 0.28 1.01 1.75 -2.75 0.00 0.00 0.00 173.10 173.39 3f1f h PHE 18 N -1.90 0.36 0.45 1.90 3.57 -1.92 0.11 116.94 119.51 3f1f h PHE 18 Ca -0.43 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.07 3f1f h PHE 18 Cb 1.27 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3f1f h PHE 18 CO 0.50 0.11 -0.22 0.00 -2.23 0.00 0.00 178.31 176.47 3f1f h ARG 19 N 0.39 -0.59 0.02 1.11 2.47 -1.91 -2.18 114.38 113.69 3f1f h ARG 19 Ca 0.27 0.04 0.03 0.00 -1.26 0.00 0.00 59.98 59.06 3f1f h ARG 19 Cb 0.29 0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 28.70 3f1f h ARG 19 CO -0.26 -0.39 -0.36 0.00 0.56 0.00 0.00 179.97 179.52 3f1f h ALA 20 N -0.06 -0.55 -0.12 0.04 0.00 -1.75 -0.35 119.26 116.47 3f1f h ALA 20 Ca -0.06 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3f1f h ALA 20 Cb 0.47 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3f1f h ALA 20 CO 0.10 -0.88 0.45 0.00 0.00 0.00 0.00 179.25 178.92 3f1f h ARG 21 N -0.53 0.00 0.00 0.00 2.47 -0.64 0.11 114.38 115.80 3f1f h ARG 21 Ca 0.05 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 3f1f h ARG 21 Cb 0.60 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 3f1f h ARG 21 CO -0.27 0.00 -1.14 -1.33 0.56 0.00 0.00 179.97 177.79 3f1f n MET 22 N -3.04 0.61 -0.04 0.04 2.81 -0.17 -0.58 117.12 116.75 3f1f n MET 22 Ca 0.01 0.13 -0.13 0.00 -1.81 0.00 0.00 57.70 55.90 3f1f n MET 22 Cb 0.53 -1.81 -0.01 0.00 -0.71 0.00 0.00 33.22 31.23 3f1f n MET 22 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3f1f h ARG 23 N 0.00 0.74 -5.92 0.03 2.43 -0.41 -3.43 114.38 107.82 3f1f h ARG 23 Ca -0.03 -0.49 -0.62 0.00 -0.81 0.00 0.00 59.98 58.03 3f1f h ARG 23 Cb 1.12 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 3f1f h ARG 23 CO 0.01 1.11 -0.45 -0.08 -1.51 0.00 0.00 179.97 179.05 3f1f s THR 24 N -4.03 5.35 0.28 0.20 -1.32 -1.24 -5.00 115.64 109.89 3f1f s THR 24 Ca -0.09 -0.16 0.26 0.00 -1.21 0.00 0.00 61.69 60.49 3f1f s THR 24 Cb 0.10 -3.59 0.27 0.00 -1.51 0.00 0.00 72.50 67.77 3f1f s THR 24 CO 0.87 0.22 1.96 1.55 -2.21 0.00 0.00 174.62 177.02 3f1f h PRO 25 N 3.42 0.00 0.00 7.08 0.13 -1.89 -0.55 132.00 140.19 3f1f h PRO 25 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3f1f h PRO 25 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3f1f h PRO 25 CO 0.72 0.16 -0.00 0.78 -0.23 0.00 0.00 178.00 179.43 3f1f h GLY 26 N 1.42 -0.00 -0.11 1.56 0.00 -1.94 -2.92 103.07 101.08 3f1f h GLY 26 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3f1f h GLY 26 CO 0.02 -0.00 -0.45 -1.33 0.00 0.00 0.00 176.54 174.78 3f1f h GLY 27 N -0.49 -1.18 -0.43 4.60 0.00 -1.42 0.89 103.07 105.05 3f1f h GLY 27 Ca -0.00 0.68 0.31 0.00 0.00 0.00 0.00 47.33 48.33 3f1f h GLY 27 CO 0.00 -0.27 0.71 3.21 0.00 0.00 0.00 176.54 180.19 3f1f h ARG 28 N -0.48 0.30 -0.64 4.80 3.08 0.70 0.71 114.38 122.86 3f1f h ARG 28 Ca 0.03 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 3f1f h ARG 28 Cb 0.56 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3f1f h ARG 28 CO -0.36 0.20 0.05 0.87 -1.07 0.00 0.00 179.97 179.66 3f1f h LYS 29 N 0.31 1.09 -0.23 0.04 1.79 -0.67 -1.40 116.57 117.50 3f1f h LYS 29 Ca 0.67 -0.32 0.01 0.00 -2.18 0.00 0.00 60.65 58.83 3f1f h LYS 29 Cb 1.79 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 32.32 3f1f h LYS 29 CO -0.36 1.03 0.14 0.28 -1.08 0.00 0.00 179.45 179.45 3f1f h VAL 30 N 1.00 1.03 -0.31 0.50 2.07 0.16 -0.15 116.25 120.56 3f1f h VAL 30 Ca 0.19 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.68 3f1f h VAL 30 Cb 0.50 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 3f1f h VAL 30 CO 0.02 0.05 -0.18 -0.07 0.02 0.00 0.00 177.57 177.41 3f1f h LEU 31 N 0.28 -0.60 -0.68 2.57 -0.00 -0.98 0.24 115.31 116.14 3f1f h LEU 31 Ca 0.09 0.13 0.08 0.00 -0.00 0.00 0.00 57.88 58.18 3f1f h LEU 31 Cb -0.01 0.32 -0.07 0.00 -0.00 0.00 0.00 40.66 40.90 3f1f h LEU 31 CO -0.04 -0.22 0.34 0.50 -0.00 0.00 0.00 178.44 179.02 3f1f h LYS 32 N -0.15 0.57 -0.27 1.13 3.64 -0.68 0.16 116.57 120.97 3f1f h LYS 32 Ca 0.16 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3f1f h LYS 32 Cb 0.39 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3f1f h LYS 32 CO -0.40 0.38 0.15 0.00 -2.27 0.00 0.00 179.45 177.31 3f1f h ARG 33 N 0.59 0.38 -0.74 1.90 3.08 -0.01 0.16 114.38 119.74 3f1f h ARG 33 Ca 0.33 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 3f1f h ARG 33 Cb 0.31 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3f1f h ARG 33 CO -0.25 0.33 0.44 0.00 -1.07 0.00 0.00 179.97 179.42 3f1f h ARG 34 N 0.33 1.01 -0.08 0.04 2.47 0.45 -0.93 114.38 117.67 3f1f h ARG 34 Ca 0.10 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3f1f h ARG 34 Cb 0.06 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.17 3f1f h ARG 34 CO -0.02 0.72 -0.01 0.00 0.56 0.00 0.00 179.97 181.22 3f1f h ARG 35 N 1.01 0.15 -0.06 0.04 3.08 -0.47 -1.59 114.38 116.54 3f1f h ARG 35 Ca 0.26 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.29 3f1f h ARG 35 Cb -0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3f1f h ARG 35 CO -0.05 0.45 -0.12 0.37 -1.07 0.00 0.00 179.97 179.56 3f1f h GLN 36 N -0.18 -0.16 0.00 0.04 4.15 -0.74 0.46 115.11 118.69 3f1f h GLN 36 Ca 0.02 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 3f1f h GLN 36 Cb 0.40 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 3f1f h GLN 36 CO 0.01 -0.11 -0.02 -0.22 -1.93 0.00 0.00 178.83 176.56 3f1f h LYS 37 N -0.17 0.00 -0.35 1.69 3.64 -1.18 -3.46 116.57 116.74 3f1f h LYS 37 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3f1f h LYS 37 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3f1f h LYS 37 CO -0.16 0.02 0.00 0.41 -2.27 0.00 0.00 179.45 177.45 3f1f n GLY 38 N -0.95 0.87 3.75 5.01 0.00 0.15 -5.04 105.19 108.98 3f1f n GLY 38 Ca -0.02 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 3f1f n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1f s ARG 39 N -3.46 2.86 0.03 1.61 1.81 -0.65 -4.91 118.95 116.23 3f1f s ARG 39 Ca 0.00 1.91 0.28 0.00 -1.72 0.00 0.00 55.73 56.20 3f1f s ARG 39 Cb 0.00 -1.92 1.01 0.00 -0.45 0.00 0.00 34.95 33.60 3f1f s ARG 39 CO 0.00 -1.32 1.79 0.91 -0.68 0.00 0.00 175.30 176.00 3f1f n TRP 40 N -1.65 0.11 -3.50 -0.53 7.02 -1.26 -4.58 117.44 113.05 3f1f n TRP 40 Ca 0.14 0.03 -0.25 0.00 -1.02 0.00 0.00 57.50 56.40 3f1f n TRP 40 Cb 0.49 -0.50 -0.14 0.00 -2.42 0.00 0.00 31.31 28.74 3f1f n TRP 40 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3f1f s ARG 41 N -3.02 0.22 0.00 -0.99 0.52 -1.26 -4.96 118.95 109.46 3f1f s ARG 41 Ca 0.13 -0.40 0.06 0.00 -0.52 0.00 0.00 55.73 55.00 3f1f s ARG 41 Cb 0.18 -1.04 0.30 0.00 0.52 0.00 0.00 34.95 34.90 3f1f s ARG 41 CO 0.58 -1.01 1.05 1.28 0.02 0.00 0.00 175.30 177.22 3f1f n LEU 42 N 5.27 0.00 -3.61 2.53 4.77 -1.26 -4.73 117.00 119.97 3f1f n LEU 42 Ca -0.05 0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 56.14 3f1f n LEU 42 Cb 0.44 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3f1f n LEU 42 CO 0.03 -0.25 0.78 0.28 -1.33 0.00 0.00 177.39 176.91 3f1f s THR 43 N -2.61 0.00 0.45 -5.08 -1.32 -1.26 -4.89 115.64 100.93 3f1f s THR 43 Ca 0.05 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.30 3f1f s THR 43 Cb 0.04 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.93 3f1f s THR 43 CO 0.09 0.00 0.96 -2.65 -2.21 0.00 0.00 174.62 170.81 3f1f n PRO 44 N 1.47 1.22 -2.16 7.08 -0.02 -1.26 -5.00 135.00 136.32 3f1f n PRO 44 Ca -0.11 0.44 -0.27 0.00 -2.02 0.00 0.00 63.50 61.54 3f1f n PRO 44 Cb 0.57 -2.02 0.06 0.00 -0.02 0.00 0.00 33.50 32.08 3f1f n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1f s ALA 45 N -1.34 3.08 0.08 3.55 0.00 -1.26 -4.94 121.76 120.94 3f1f s ALA 45 Ca 0.65 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 51.69 3f1f s ALA 45 Cb -0.53 -2.72 0.05 0.00 0.00 0.00 0.00 23.12 19.91 3f1f s ALA 45 CO 0.55 -1.19 0.47 0.08 0.00 0.00 0.00 175.76 175.68 3f1f s VAL 46 N -3.24 0.04 0.00 0.00 1.01 -1.26 -5.01 120.40 111.94 3f1f s VAL 46 Ca 0.58 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3f1f s VAL 46 Cb -0.11 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.24 3f1f s VAL 46 CO 0.47 -0.20 0.00 0.54 0.00 0.00 0.00 175.10 175.91 3f1f n ARG 47 N 0.14 0.00 0.00 2.72 5.12 -1.26 -5.22 116.66 118.16 3f1f n ARG 47 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 3f1f n ARG 47 Cb 0.62 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.92 3f1f n ARG 47 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33