#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex s LYS 2 N 0.00 2.93 0.10 1.61 -0.14 -1.26 -5.09 119.74 117.90 2qex s LYS 2 Ca 0.00 -0.98 -0.22 0.00 -1.36 0.00 0.00 55.97 53.40 2qex s LYS 2 Cb 0.00 -3.53 -0.07 0.00 -1.68 0.00 0.00 37.83 32.55 2qex s LYS 2 CO 0.00 -0.57 0.68 -1.59 -0.76 0.00 0.00 175.35 173.11 2qex s LYS 3 N 1.51 4.39 0.86 1.68 -2.85 -1.26 -5.08 119.74 119.00 2qex s LYS 3 Ca 0.02 0.94 -0.12 0.00 -1.00 0.00 0.00 55.97 55.81 2qex s LYS 3 Cb -0.18 -3.27 0.14 0.00 -2.06 0.00 0.00 37.83 32.46 2qex s LYS 3 CO 0.04 0.56 1.21 -1.54 0.10 0.00 0.00 175.35 175.72 2qex s SER 4 N -0.96 3.82 0.21 0.03 1.04 -1.26 -4.86 113.70 111.73 2qex s SER 4 Ca 0.33 0.35 -0.09 0.00 0.48 0.00 0.00 55.95 57.02 2qex s SER 4 Cb -0.21 -0.62 0.15 0.00 0.10 0.00 0.00 66.02 65.44 2qex s SER 4 CO 0.22 -2.28 1.80 0.50 0.98 0.00 0.00 173.24 174.46 2qex h LYS 5 N -1.24 1.14 -0.10 4.02 3.64 -1.99 -0.59 116.57 121.45 2qex h LYS 5 Ca -0.44 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 58.72 2qex h LYS 5 Cb 1.27 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2qex h LYS 5 CO 0.48 0.89 -0.12 0.00 -2.27 0.00 0.00 179.45 178.43 2qex h ALA 6 N 1.19 0.16 -0.87 5.00 0.00 -2.00 -2.51 119.26 120.23 2qex h ALA 6 Ca 0.27 -0.32 0.12 0.00 0.00 0.00 0.00 54.91 54.98 2qex h ALA 6 Cb 0.13 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2qex h ALA 6 CO -0.03 0.02 0.56 1.15 0.00 0.00 0.00 179.25 180.95 2qex h THR 7 N -0.15 0.90 -0.33 0.00 2.02 -1.91 -0.49 112.91 112.95 2qex h THR 7 Ca 0.01 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 2qex h THR 7 Cb 0.66 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2qex h THR 7 CO 0.03 0.14 -0.23 0.50 0.37 0.00 0.00 175.52 176.33 2qex h LYS 8 N 0.75 0.63 -0.21 6.66 3.64 -0.96 -2.49 116.57 124.59 2qex h LYS 8 Ca 0.42 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 2qex h LYS 8 Cb 0.57 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2qex h LYS 8 CO -0.18 0.81 -0.27 0.87 -2.27 0.00 0.00 179.45 178.41 2qex h LYS 9 N 0.56 0.41 -0.12 1.90 1.57 -0.65 -2.43 116.57 117.80 2qex h LYS 9 Ca 0.08 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 2qex h LYS 9 Cb 0.69 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2qex h LYS 9 CO 0.05 0.65 -0.38 0.00 -0.57 0.00 0.00 179.45 179.20 2qex h ARG 10 N 0.36 0.48 -0.81 3.15 3.08 -1.18 -2.32 114.38 117.14 2qex h ARG 10 Ca 0.05 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 2qex h ARG 10 Cb 0.67 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 2qex h ARG 10 CO 0.05 0.97 0.36 -0.07 -1.07 0.00 0.00 179.97 180.21 2qex h LEU 11 N 0.07 1.08 -0.75 3.04 3.38 -1.46 -1.79 115.31 118.89 2qex h LEU 11 Ca -0.01 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.88 2qex h LEU 11 Cb 1.00 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 2qex h LEU 11 CO 0.08 0.93 0.43 0.00 0.09 0.00 0.00 178.44 179.97 2qex h ALA 12 N 1.23 1.02 -0.02 1.53 0.00 -1.38 -1.00 119.26 120.64 2qex h ALA 12 Ca 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2qex h ALA 12 Cb 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qex h ALA 12 CO -0.03 0.12 -0.00 -0.22 0.00 0.00 0.00 179.25 179.12 2qex h LYS 13 N 0.78 0.04 -0.98 0.00 3.64 -0.92 -2.76 116.57 116.38 2qex h LYS 13 Ca 0.34 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.84 2qex h LYS 13 Cb 0.21 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.95 2qex h LYS 13 CO -0.19 0.39 0.62 -0.07 -2.27 0.00 0.00 179.45 177.92 2qex h LEU 14 N -0.30 0.84 -1.02 5.20 3.38 -0.99 0.14 115.31 122.56 2qex h LEU 14 Ca 0.01 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2qex h LEU 14 Cb 0.37 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2qex h LEU 14 CO 0.00 0.42 -0.11 -0.78 0.09 0.00 0.00 178.44 178.07 2qex h ASP 15 N 0.89 0.56 -0.17 -0.43 3.58 -1.10 -2.63 116.42 117.12 2qex h ASP 15 Ca 0.50 -0.15 -0.21 0.00 0.42 0.00 0.00 57.03 57.59 2qex h ASP 15 Cb 0.60 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.51 2qex h ASP 15 CO -0.26 0.71 -0.71 -1.13 -2.88 0.00 0.00 179.24 174.96 2qex h ASN 16 N 0.53 0.93 0.20 2.28 -0.00 -0.54 -2.85 115.58 116.14 2qex h ASN 16 Ca 0.10 -0.58 0.00 0.00 -0.00 0.00 0.00 56.30 55.82 2qex h ASN 16 Cb 0.51 -0.27 0.00 0.00 -0.00 0.00 0.00 38.32 38.55 2qex h ASN 16 CO 0.03 1.38 0.00 1.56 -0.00 0.00 0.00 177.43 180.39 2qex h GLN 17 N 0.57 0.00 0.00 6.67 4.20 -0.61 -2.38 115.11 123.56 2qex h GLN 17 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2qex h GLN 17 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 2qex h GLN 17 CO 0.15 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.40 2qex n ASN 18 N -2.45 0.00 -4.52 1.46 5.03 -1.02 -4.82 115.26 108.94 2qex n ASN 18 Ca -0.01 0.20 -0.28 0.00 0.87 0.00 0.00 54.58 55.36 2qex n ASN 18 Cb 0.09 -0.39 0.22 0.00 -1.02 0.00 0.00 39.78 38.69 2qex n ASN 18 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2qex s SER 19 N -2.77 1.63 0.46 6.41 1.04 -0.90 -4.88 113.70 114.69 2qex s SER 19 Ca 0.18 1.25 0.01 0.00 0.48 0.00 0.00 55.95 57.87 2qex s SER 19 Cb 0.16 -1.95 0.01 0.00 0.10 0.00 0.00 66.02 64.34 2qex s SER 19 CO 0.40 -3.76 0.67 -0.60 0.98 0.00 0.00 173.24 170.93 2qex s ARG 20 N -4.78 2.94 -0.17 4.02 3.52 -1.26 -4.99 118.95 118.23 2qex s ARG 20 Ca 0.67 -0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 55.34 2qex s ARG 20 Cb -0.21 -2.58 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 2qex s ARG 20 CO 0.61 -0.34 1.49 0.08 -0.81 0.00 0.00 175.30 176.33 2qex s VAL 21 N -2.56 3.88 0.29 7.11 1.01 -1.26 -4.94 120.40 123.94 2qex s VAL 21 Ca 0.50 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 2qex s VAL 21 Cb -0.10 -3.77 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 2qex s VAL 21 CO 0.37 -0.21 1.15 -0.81 0.00 0.00 0.00 175.10 175.60 2qex n PRO 22 N 7.18 1.66 -0.32 2.72 -0.04 -1.26 -4.88 135.00 140.06 2qex n PRO 22 Ca 0.17 0.58 0.20 0.00 -0.04 0.00 0.00 63.50 64.40 2qex n PRO 22 Cb 0.45 -2.06 0.46 0.00 -0.04 0.00 0.00 33.50 32.31 2qex n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qex h ALA 23 N 2.47 2.07 0.00 0.55 0.00 -2.03 -1.43 119.26 120.89 2qex h ALA 23 Ca -0.42 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2qex h ALA 23 Cb 1.32 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2qex h ALA 23 CO 0.63 -0.46 -0.01 0.11 0.00 0.00 0.00 179.25 179.53 2qex h TRP 24 N 0.49 0.00 0.00 0.00 5.08 -2.02 -2.77 115.95 116.74 2qex h TRP 24 Ca 0.58 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 60.36 2qex h TRP 24 Cb 1.30 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.45 2qex h TRP 24 CO -0.00 0.01 -0.86 0.28 -1.28 0.00 0.00 178.44 176.59 2qex h VAL 25 N 0.00 1.53 -0.87 0.12 2.07 -1.61 -2.59 116.25 114.89 2qex h VAL 25 Ca -0.00 -2.68 -0.02 0.00 0.82 0.00 0.00 66.70 64.82 2qex h VAL 25 Cb 0.43 2.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 2qex h VAL 25 CO 0.00 0.77 0.46 0.24 0.02 0.00 0.00 177.57 179.06 2qex h MET 26 N 0.07 1.23 -0.01 1.57 2.86 -1.56 -2.22 114.93 116.87 2qex h MET 26 Ca -0.03 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2qex h MET 26 Cb 1.48 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.91 2qex h MET 26 CO 0.12 0.92 -0.05 -0.07 1.06 0.00 0.00 176.91 178.89 2qex h LEU 27 N 1.23 0.06 -2.58 1.22 3.38 -1.61 0.12 115.31 117.13 2qex h LEU 27 Ca 0.30 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 57.60 2qex h LEU 27 Cb 0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qex h LEU 27 CO -0.05 0.73 0.07 0.50 0.09 0.00 0.00 178.44 179.79 2qex h LYS 28 N -0.61 0.00 -0.09 1.13 3.64 -1.36 -1.08 116.57 118.20 2qex h LYS 28 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qex h LYS 28 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2qex h LYS 28 CO 0.01 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.44 2qex n THR 29 N -3.45 0.18 -3.64 1.00 -2.24 -0.85 -5.00 114.28 100.28 2qex n THR 29 Ca -0.02 -0.59 -0.25 0.00 -2.27 0.00 0.00 64.05 60.92 2qex n THR 29 Cb 0.16 1.14 0.04 0.00 -2.10 0.00 0.00 70.33 69.57 2qex n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qex n ASP 30 N 0.75 -3.68 -1.74 3.42 8.00 -0.41 -5.06 116.55 117.83 2qex n ASP 30 Ca 0.09 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.69 2qex n ASP 30 Cb 0.36 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 2qex n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qex n ARG 31 N -4.08 -4.92 0.00 -1.24 1.74 0.34 -5.04 116.66 103.47 2qex n ARG 31 Ca -0.18 3.60 0.00 0.00 -0.77 0.00 0.00 57.85 60.50 2qex n ARG 31 Cb 0.63 -4.00 0.00 0.00 -1.02 0.00 0.00 32.46 28.07 2qex n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qex n ARG 35 N -0.14 0.00 -3.35 5.56 1.74 -1.26 -4.99 116.66 114.22 2qex n ARG 35 Ca 0.00 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.63 2qex n ARG 35 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 2qex n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2qex s ASN 36 N 0.00 6.19 0.00 0.55 3.84 -1.26 -4.93 114.94 119.33 2qex s ASN 36 Ca 0.00 -1.96 0.11 0.00 0.21 0.00 0.00 52.86 51.21 2qex s ASN 36 Cb 0.00 -2.18 0.50 0.00 -0.55 0.00 0.00 41.25 39.02 2qex s ASN 36 CO 0.00 -0.79 1.27 1.41 -2.79 0.00 0.00 177.10 176.21 2qex n HIS 37 N 4.98 0.00 -0.88 0.43 8.25 -1.26 -2.89 115.22 123.86 2qex n HIS 37 Ca -0.09 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.45 2qex n HIS 37 Cb 0.41 -0.37 0.33 0.00 1.12 0.00 0.00 29.99 31.48 2qex n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qex n LYS 38 N -1.37 3.87 -1.91 -0.41 5.02 -1.26 -4.98 118.16 117.12 2qex n LYS 38 Ca 0.04 -2.95 -0.42 0.00 -2.02 0.00 0.00 58.31 52.95 2qex n LYS 38 Cb 0.10 -2.01 -0.03 0.00 -0.02 0.00 0.00 35.03 33.07 2qex n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qex s ARG 39 N -2.61 4.01 0.06 1.97 0.52 -1.14 -4.79 118.95 116.98 2qex s ARG 39 Ca 0.48 2.19 0.08 0.00 -0.52 0.00 0.00 55.73 57.96 2qex s ARG 39 Cb 0.36 -4.07 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 2qex s ARG 39 CO 0.14 -1.06 -0.21 0.50 0.02 0.00 0.00 175.30 174.69 2qex s ARG 40 N 4.46 1.90 -0.05 3.54 3.52 -1.26 -5.08 118.95 125.98 2qex s ARG 40 Ca 0.79 -1.08 0.05 0.00 -0.13 0.00 0.00 55.73 55.36 2qex s ARG 40 Cb -0.34 -2.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.92 2qex s ARG 40 CO 0.33 0.52 -0.18 -1.58 -0.81 0.00 0.00 175.30 173.57 2qex s HIS 41 N -0.95 2.59 0.27 5.12 5.65 -1.26 -5.00 115.29 121.71 2qex s HIS 41 Ca 0.15 -0.34 -0.01 0.00 0.25 0.00 0.00 55.06 55.11 2qex s HIS 41 Cb -0.10 -1.61 0.49 0.00 -1.18 0.00 0.00 32.58 30.17 2qex s HIS 41 CO 0.05 0.05 1.85 0.11 -0.65 0.00 0.00 174.74 176.15 2qex h TRP 42 N 5.59 1.13 0.00 3.88 5.08 -2.01 -0.33 115.95 129.29 2qex h TRP 42 Ca -0.42 0.03 -0.04 0.00 1.08 0.00 0.00 58.89 59.54 2qex h TRP 42 Cb 1.15 -0.36 -0.01 0.00 -3.00 0.00 0.00 29.16 26.94 2qex h TRP 42 CO 0.46 0.49 -0.47 -0.09 -1.28 0.00 0.00 178.44 177.56 2qex h ARG 43 N 1.03 0.00 -0.55 0.12 2.43 -2.05 -3.40 114.38 111.96 2qex h ARG 43 Ca 0.47 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.57 2qex h ARG 43 Cb 0.37 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2qex h ARG 43 CO -0.23 0.28 0.07 0.00 -1.51 0.00 0.00 179.97 178.57 2qex h ARG 44 N -1.00 0.90 -6.73 0.20 2.47 -1.99 -3.45 114.38 104.78 2qex h ARG 44 Ca -0.06 -0.23 -0.49 0.00 -1.26 0.00 0.00 59.98 57.94 2qex h ARG 44 Cb 0.57 -0.11 0.04 0.00 -1.65 0.00 0.00 29.97 28.82 2qex h ARG 44 CO -0.04 0.85 -0.06 -0.80 0.56 0.00 0.00 179.97 180.49 2qex s ASN 45 N -6.58 4.95 -0.18 7.04 0.01 -0.14 -4.97 114.94 115.07 2qex s ASN 45 Ca -0.10 -0.80 -0.04 0.00 -0.71 0.00 0.00 52.86 51.21 2qex s ASN 45 Cb 0.15 0.31 0.08 0.00 0.41 0.00 0.00 41.25 42.19 2qex s ASN 45 CO 0.82 -1.46 0.17 -0.62 -1.51 0.00 0.00 177.10 174.51 2qex s ASP 46 N -4.69 1.59 1.12 -1.22 3.68 -1.26 -4.75 116.67 111.14 2qex s ASP 46 Ca 0.63 -0.27 -0.17 0.00 2.13 0.00 0.00 52.55 54.87 2qex s ASP 46 Cb -0.05 0.17 0.25 0.00 -1.45 0.00 0.00 42.92 41.84 2qex s ASP 46 CO 0.40 -0.32 1.12 0.42 0.13 0.00 0.00 175.17 176.92 2qex s THR 47 N 2.26 1.75 0.54 1.71 -4.23 -1.26 -5.05 115.64 111.36 2qex s THR 47 Ca 0.05 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.47 2qex s THR 47 Cb -0.15 -2.54 0.12 0.00 1.34 0.00 0.00 72.50 71.27 2qex s THR 47 CO -0.10 0.00 0.73 0.47 -0.54 0.00 0.00 174.62 175.18 2qex n ASP 48 N -4.50 0.05 0.00 3.99 10.43 -1.26 -5.27 116.55 119.99 2qex n ASP 48 Ca 0.11 -1.26 0.00 0.00 2.57 0.00 0.00 54.79 56.20 2qex n ASP 48 Cb 0.59 -0.56 0.00 0.00 1.84 0.00 0.00 41.12 42.99 2qex n ASP 48 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51