#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe s LYS 2 N 0.00 4.17 1.06 2.12 2.20 -1.26 -5.08 119.74 122.94 2qbe s LYS 2 Ca 0.00 0.34 -0.18 0.00 -0.36 0.00 0.00 55.97 55.77 2qbe s LYS 2 Cb 0.00 -3.36 0.26 0.00 -1.51 0.00 0.00 37.83 33.22 2qbe s LYS 2 CO 0.00 0.36 1.07 0.54 -0.36 0.00 0.00 175.35 176.97 2qbe n ARG 3 N 3.01 -2.42 -0.04 4.03 5.12 -1.26 -5.01 116.66 120.09 2qbe n ARG 3 Ca -0.11 -1.70 -0.17 0.00 -1.93 0.00 0.00 57.85 53.94 2qbe n ARG 3 Cb 0.52 -1.43 -0.14 0.00 -1.16 0.00 0.00 32.46 30.25 2qbe n ARG 3 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2qbe n THR 4 N -4.37 1.65 -2.33 0.55 -2.24 -1.26 -4.83 114.28 101.45 2qbe n THR 4 Ca 0.14 -0.68 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 2qbe n THR 4 Cb 0.54 -1.43 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 2qbe n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2qbe s PHE 5 N -2.55 2.37 -0.35 4.78 5.99 -1.26 -4.97 117.98 122.00 2qbe s PHE 5 Ca -0.21 0.67 0.04 0.00 0.00 0.00 0.00 56.93 57.43 2qbe s PHE 5 Cb 0.07 -4.29 0.10 0.00 0.00 0.00 0.00 43.02 38.90 2qbe s PHE 5 CO 0.75 -2.03 0.07 -0.65 -0.00 0.00 0.00 175.22 173.35 2qbe s GLN 6 N 4.96 1.44 0.40 10.12 -1.52 -1.26 -5.10 119.66 128.69 2qbe s GLN 6 Ca 0.62 -1.85 -0.24 0.00 -1.95 0.00 0.00 55.36 51.94 2qbe s GLN 6 Cb -0.14 -3.11 -0.12 0.00 -0.22 0.00 0.00 33.01 29.43 2qbe s GLN 6 CO 0.32 -0.95 0.85 -0.35 -0.25 0.00 0.00 175.29 174.91 2qbe n PRO 7 N 4.24 1.04 -2.84 2.91 -0.04 -1.26 -5.01 135.00 134.05 2qbe n PRO 7 Ca 0.04 0.38 0.02 0.00 -0.04 0.00 0.00 63.50 63.89 2qbe n PRO 7 Cb 0.41 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2qbe n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qbe s SER 8 N -0.81 -0.38 0.34 3.54 0.15 -1.26 -5.04 113.70 110.25 2qbe s SER 8 Ca 0.63 -0.16 0.13 0.00 0.70 0.00 0.00 55.95 57.26 2qbe s SER 8 Cb -0.60 0.58 1.00 0.00 -1.71 0.00 0.00 66.02 65.30 2qbe s SER 8 CO 0.57 -0.05 1.71 1.62 1.20 0.00 0.00 173.24 178.30 2qbe h VAL 9 N 3.62 0.45 0.37 4.45 3.04 -1.99 -0.18 116.25 126.00 2qbe h VAL 9 Ca -0.04 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.47 2qbe h VAL 9 Cb 1.23 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2qbe h VAL 9 CO -0.07 0.08 -0.18 0.25 -1.01 0.00 0.00 177.57 176.65 2qbe h LEU 10 N 0.46 -0.42 -0.97 3.16 7.12 -2.00 -2.35 115.31 120.30 2qbe h LEU 10 Ca 0.67 -0.04 -0.05 0.00 0.13 0.00 0.00 57.88 58.59 2qbe h LEU 10 Cb 1.46 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 41.67 2qbe h LEU 10 CO -0.48 -0.23 0.14 0.11 -0.13 0.00 0.00 178.44 177.85 2qbe h LYS 11 N -0.58 0.89 0.32 1.25 1.57 -1.65 -2.92 116.57 115.44 2qbe h LYS 11 Ca -0.05 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2qbe h LYS 11 Cb 0.43 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2qbe h LYS 11 CO 0.08 0.80 -0.24 -0.09 -0.57 0.00 0.00 179.45 179.43 2qbe h ARG 12 N 0.86 -0.52 -0.31 3.15 2.43 -0.97 -3.04 114.38 115.98 2qbe h ARG 12 Ca 0.19 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 2qbe h ARG 12 Cb 0.31 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 2qbe h ARG 12 CO -0.00 -0.34 -0.44 -0.91 -1.51 0.00 0.00 179.97 176.77 2qbe h ASN 13 N -0.54 -1.44 0.00 -3.80 -0.26 -1.46 0.80 115.58 108.88 2qbe h ASN 13 Ca -0.04 0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2qbe h ASN 13 Cb 0.44 0.61 0.00 0.00 -1.06 0.00 0.00 38.32 38.31 2qbe h ASN 13 CO 0.02 -0.39 0.00 -2.11 -1.06 0.00 0.00 177.43 173.88 2qbe n ARG 14 N -5.42 0.78 0.00 0.81 1.85 -1.11 0.17 116.66 113.75 2qbe n ARG 14 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 2qbe n ARG 14 Cb 0.36 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.65 2qbe n ARG 14 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qbe n SER 15 N 0.84 0.00 0.00 2.89 7.64 -0.41 -4.90 113.62 119.69 2qbe n SER 15 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2qbe n SER 15 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2qbe n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2qbe n HIS 16 N -0.39 0.00 -1.29 1.43 8.25 0.14 -4.95 115.22 118.40 2qbe n HIS 16 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 2qbe n HIS 16 Cb 0.00 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.33 2qbe n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qbe s GLY 17 N 0.00 1.63 -0.07 -1.41 0.00 0.46 -4.16 107.32 103.77 2qbe s GLY 17 Ca 0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 44.72 43.56 2qbe s GLY 17 CO 0.00 -0.13 0.75 -2.75 0.00 0.00 0.00 173.10 170.97 2qbe h PHE 18 N -2.31 -0.17 0.00 1.90 3.04 -1.81 0.94 116.94 118.53 2qbe h PHE 18 Ca -0.45 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.49 2qbe h PHE 18 Cb 1.28 0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.85 2qbe h PHE 18 CO -1.74 0.27 0.00 0.54 -2.02 0.00 0.00 178.31 175.36 2qbe n ARG 19 N -4.88 0.03 -0.07 1.11 1.74 -1.26 -0.03 116.66 113.29 2qbe n ARG 19 Ca -0.07 0.43 -0.15 0.00 -0.77 0.00 0.00 57.85 57.29 2qbe n ARG 19 Cb 0.26 -1.57 -0.14 0.00 -1.02 0.00 0.00 32.46 29.99 2qbe n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbe n ALA 20 N -1.54 1.34 0.10 7.54 0.00 -1.19 -3.26 120.51 123.49 2qbe n ALA 20 Ca 0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 53.44 52.41 2qbe n ALA 20 Cb 0.07 -0.38 0.12 0.00 0.00 0.00 0.00 19.45 19.26 2qbe n ALA 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qbe h ARG 21 N 0.02 0.19 0.00 0.00 2.43 0.72 -2.58 114.38 115.15 2qbe h ARG 21 Ca -0.49 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 58.50 2qbe h ARG 21 Cb 2.04 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.61 2qbe h ARG 21 CO 0.01 0.75 -0.25 0.52 -1.51 0.00 0.00 179.97 179.49 2qbe h MET 22 N 0.14 0.00 -0.09 0.20 2.86 -0.61 -3.08 114.93 114.35 2qbe h MET 22 Ca -0.01 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2qbe h MET 22 Cb 1.13 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.73 2qbe h MET 22 CO 0.09 0.25 -0.25 0.00 1.06 0.00 0.00 176.91 178.06 2qbe h ALA 23 N 1.75 -0.27 -2.02 6.32 0.00 -1.44 -3.43 119.26 120.16 2qbe h ALA 23 Ca -0.00 0.02 -0.45 0.00 0.00 0.00 0.00 54.91 54.48 2qbe h ALA 23 Cb 0.96 0.47 0.04 0.00 0.00 0.00 0.00 17.79 19.26 2qbe h ALA 23 CO 0.03 -0.73 -0.03 0.95 0.00 0.00 0.00 179.25 179.47 2qbe s THR 24 N -6.07 3.46 -0.12 0.00 -4.23 -1.24 -5.01 115.64 102.43 2qbe s THR 24 Ca -0.15 -0.49 0.15 0.00 -1.18 0.00 0.00 61.69 60.02 2qbe s THR 24 Cb 0.10 -3.30 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 2qbe s THR 24 CO 0.67 -0.23 1.27 0.50 -0.54 0.00 0.00 174.62 176.29 2qbe h LYS 25 N 0.19 0.00 0.00 3.99 1.63 -1.86 -3.20 116.57 117.32 2qbe h LYS 25 Ca -0.45 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2qbe h LYS 25 Cb 1.27 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.90 2qbe h LYS 25 CO 0.56 0.50 -0.59 -0.91 -3.45 0.00 0.00 179.45 175.56 2qbe h ASN 26 N 0.00 0.00 0.66 4.20 -0.26 -1.95 -3.12 115.58 115.11 2qbe h ASN 26 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 2qbe h ASN 26 Cb 1.48 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.74 2qbe h ASN 26 CO 0.07 0.00 -0.16 0.61 -1.06 0.00 0.00 177.43 176.89 2qbe n GLY 27 N 1.15 -1.26 0.09 2.83 0.00 -1.22 -2.78 105.19 104.00 2qbe n GLY 27 Ca 0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2qbe n GLY 27 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qbe h ARG 28 N 0.16 0.07 -0.07 1.61 2.43 -1.47 -3.26 114.38 113.85 2qbe h ARG 28 Ca 0.00 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 58.91 2qbe h ARG 28 Cb 0.44 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2qbe h ARG 28 CO 0.00 0.74 -0.54 1.96 -1.51 0.00 0.00 179.97 180.61 2qbe h GLN 29 N 0.02 0.19 -0.61 0.20 4.20 -1.55 -2.18 115.11 115.38 2qbe h GLN 29 Ca -0.27 -0.12 0.09 0.00 0.06 0.00 0.00 58.65 58.40 2qbe h GLN 29 Cb 1.99 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.72 2qbe h GLN 29 CO 0.10 0.69 0.25 0.28 -0.67 0.00 0.00 178.83 179.47 2qbe h VAL 30 N 0.15 0.80 0.49 -0.54 2.07 -1.56 0.70 116.25 118.36 2qbe h VAL 30 Ca 0.00 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2qbe h VAL 30 Cb 1.01 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2qbe h VAL 30 CO 0.08 0.08 -0.23 -0.07 0.02 0.00 0.00 177.57 177.45 2qbe h LEU 31 N 0.44 -0.55 -1.15 2.57 3.38 -1.55 -1.16 115.31 117.30 2qbe h LEU 31 Ca 0.30 0.02 0.36 0.00 0.09 0.00 0.00 57.88 58.65 2qbe h LEU 31 Cb 0.34 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.10 2qbe h LEU 31 CO -0.28 -0.22 0.65 0.00 0.09 0.00 0.00 178.44 178.68 2qbe h ALA 32 N -1.34 2.23 0.78 1.53 0.00 -1.19 1.85 119.26 123.11 2qbe h ALA 32 Ca -0.07 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2qbe h ALA 32 Cb 0.50 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2qbe h ALA 32 CO 0.11 -0.85 -0.37 -0.09 0.00 0.00 0.00 179.25 178.05 2qbe h ARG 33 N 0.22 -1.01 -0.31 0.00 9.65 0.54 0.33 114.38 123.81 2qbe h ARG 33 Ca 0.76 0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.73 2qbe h ARG 33 Cb 1.99 0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 30.77 2qbe h ARG 33 CO -0.55 -0.66 0.17 0.00 2.80 0.00 0.00 179.97 181.74 2qbe h ARG 34 N -1.13 0.34 -0.48 0.20 3.08 0.13 -1.23 114.38 115.30 2qbe h ARG 34 Ca -0.11 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.01 2qbe h ARG 34 Cb 0.81 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.71 2qbe h ARG 34 CO 0.18 0.23 -0.02 0.00 -1.07 0.00 0.00 179.97 179.29 2qbe h ARG 35 N 0.35 0.09 0.10 0.04 3.08 0.26 0.50 114.38 118.81 2qbe h ARG 35 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2qbe h ARG 35 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2qbe h ARG 35 CO -0.07 0.06 -0.30 0.00 -1.07 0.00 0.00 179.97 178.60 2qbe h ALA 36 N 1.43 -0.84 -0.54 0.04 0.00 0.38 0.29 119.26 120.03 2qbe h ALA 36 Ca 0.24 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.23 2qbe h ALA 36 Cb 0.36 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2qbe h ALA 36 CO -0.41 -0.90 0.62 -0.22 0.00 0.00 0.00 179.25 178.34 2qbe h LYS 37 N -0.45 0.00 -0.05 0.00 3.64 -0.51 -3.44 116.57 115.76 2qbe h LYS 37 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2qbe h LYS 37 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2qbe h LYS 37 CO -0.14 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.45 2qbe n GLY 38 N -1.53 0.55 3.54 5.01 0.00 0.17 -5.02 105.19 107.91 2qbe n GLY 38 Ca 0.11 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 2qbe n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbe n ARG 39 N -0.97 0.61 -0.03 1.61 3.00 -0.64 -4.93 116.66 115.30 2qbe n ARG 39 Ca 0.00 0.25 -0.14 0.00 -0.00 0.00 0.00 57.85 57.95 2qbe n ARG 39 Cb 0.45 -1.97 -0.11 0.00 0.00 0.00 0.00 32.46 30.83 2qbe n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbe h ALA 40 N 0.13 0.02 -3.24 5.13 0.00 -1.95 -3.44 119.26 115.92 2qbe h ALA 40 Ca -0.47 -0.41 -0.65 0.00 0.00 0.00 0.00 54.91 53.39 2qbe h ALA 40 Cb 1.37 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 19.01 2qbe h ALA 40 CO 0.47 -0.03 -0.59 1.03 0.00 0.00 0.00 179.25 180.13 2qbe s ARG 41 N -3.27 3.54 -0.15 0.00 0.52 -1.26 -5.04 118.95 113.29 2qbe s ARG 41 Ca -0.17 -0.37 -0.11 0.00 -0.52 0.00 0.00 55.73 54.56 2qbe s ARG 41 Cb 0.00 -3.02 -0.06 0.00 0.52 0.00 0.00 34.95 32.40 2qbe s ARG 41 CO 0.71 0.46 -0.11 1.28 0.02 0.00 0.00 175.30 177.66 2qbe n LEU 42 N 2.91 1.82 -3.49 2.53 7.99 -1.26 -4.92 117.00 122.58 2qbe n LEU 42 Ca -0.18 0.60 -0.26 0.00 -0.01 0.00 0.00 56.01 56.16 2qbe n LEU 42 Cb 0.53 -0.89 -0.13 0.00 -0.11 0.00 0.00 43.42 42.82 2qbe n LEU 42 CO 0.32 -0.34 -0.28 0.42 -1.51 0.00 0.00 177.39 176.00 2qbe s THR 43 N -2.27 -0.14 -0.86 -5.08 -4.23 -1.26 -4.92 115.64 96.87 2qbe s THR 43 Ca -0.18 -0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 59.41 2qbe s THR 43 Cb 0.03 -0.98 0.11 0.00 1.34 0.00 0.00 72.50 72.99 2qbe s THR 43 CO 0.29 -0.69 0.27 0.52 -0.54 0.00 0.00 174.62 174.47 2qbe n VAL 44 N 5.08 0.00 0.00 2.29 0.31 -1.26 -4.33 118.33 120.42 2qbe n VAL 44 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2qbe n VAL 44 Cb 0.43 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 2qbe n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qbe n SER 45 N -1.03 0.00 0.00 4.52 3.41 -1.26 -4.99 113.62 114.28 2qbe n SER 45 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2qbe n SER 45 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2qbe n SER 45 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05