#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3i h MET 2 N 0.00 1.12 -0.76 -0.14 4.05 -2.05 -1.00 114.93 116.15 2q3i h MET 2 Ca 0.00 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.22 2q3i h MET 2 Cb 0.00 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.56 2q3i h MET 2 CO 0.00 0.86 0.31 -0.22 0.23 0.00 0.00 176.91 178.09 2q3i h LYS 3 N 1.10 1.13 -0.63 0.39 3.11 -2.05 -0.28 116.57 119.35 2q3i h LYS 3 Ca 0.27 -0.20 -0.07 0.00 -2.81 0.00 0.00 60.65 57.85 2q3i h LYS 3 Cb 0.10 -0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.12 2q3i h LYS 3 CO -0.04 0.92 0.14 1.96 -2.81 0.00 0.00 179.45 179.62 2q3i h GLN 4 N 1.11 1.01 -0.40 1.90 1.08 -1.85 0.71 115.11 118.66 2q3i h GLN 4 Ca 0.26 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2q3i h GLN 4 Cb 0.20 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2q3i h GLN 4 CO -0.02 0.93 0.19 0.82 -0.95 0.00 0.00 178.83 179.80 2q3i h ILE 5 N 0.93 1.18 -0.51 2.54 2.04 -0.92 -1.48 117.51 121.28 2q3i h ILE 5 Ca 0.20 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2q3i h ILE 5 Cb 0.38 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2q3i h ILE 5 CO 0.01 0.19 0.25 -0.33 0.00 0.00 0.00 178.15 178.26 2q3i h GLU 6 N 0.51 0.74 -0.49 2.37 5.08 -0.70 -0.76 114.58 121.33 2q3i h GLU 6 Ca 0.14 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2q3i h GLU 6 Cb 0.12 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2q3i h GLU 6 CO -0.02 0.61 0.07 -0.44 -1.00 0.00 0.00 179.01 178.24 2q3i h ASP 7 N 0.68 0.72 -0.38 1.42 3.45 -0.71 -1.44 116.42 120.16 2q3i h ASP 7 Ca 0.18 -0.14 -0.15 0.00 0.43 0.00 0.00 57.03 57.34 2q3i h ASP 7 Cb 0.12 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 2q3i h ASP 7 CO -0.02 0.75 -0.34 0.50 -1.57 0.00 0.00 179.24 178.56 2q3i h LYS 8 N 0.73 0.92 -0.75 3.56 1.63 -0.92 -1.88 116.57 119.87 2q3i h LYS 8 Ca 0.16 -0.45 -0.02 0.00 -0.85 0.00 0.00 60.65 59.48 2q3i h LYS 8 Cb 0.35 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.94 2q3i h LYS 8 CO 0.01 1.11 0.40 0.82 -3.45 0.00 0.00 179.45 178.33 2q3i h ILE 9 N 0.77 1.23 -0.45 2.00 2.04 -0.80 -0.14 117.51 122.16 2q3i h ILE 9 Ca 0.07 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 2q3i h ILE 9 Cb 0.92 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2q3i h ILE 9 CO 0.09 0.26 -0.01 -0.33 0.00 0.00 0.00 178.15 178.15 2q3i h GLU 10 N 1.04 0.75 -0.63 2.37 5.08 -1.06 -0.78 114.58 121.35 2q3i h GLU 10 Ca 0.26 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2q3i h GLU 10 Cb 0.06 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2q3i h GLU 10 CO -0.04 0.77 0.09 0.93 -1.00 0.00 0.00 179.01 179.76 2q3i h GLU 11 N 0.70 1.03 -0.55 2.33 5.08 -0.86 -0.45 114.58 121.86 2q3i h GLU 11 Ca 0.14 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 2q3i h GLU 11 Cb 0.45 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2q3i h GLU 11 CO 0.02 0.95 0.05 0.82 -1.00 0.00 0.00 179.01 179.86 2q3i h ILE 12 N 0.96 1.26 -0.47 3.13 2.04 -0.55 -1.36 117.51 122.51 2q3i h ILE 12 Ca 0.19 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.03 2q3i h ILE 12 Cb 0.43 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2q3i h ILE 12 CO 0.01 0.37 0.30 -0.33 0.00 0.00 0.00 178.15 178.51 2q3i h GLU 13 N 0.82 0.60 -0.41 2.37 5.08 -0.78 -0.15 114.58 122.11 2q3i h GLU 13 Ca 0.16 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2q3i h GLU 13 Cb 0.46 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2q3i h GLU 13 CO 0.02 0.39 0.23 1.03 -1.00 0.00 0.00 179.01 179.68 2q3i h SER 14 N 0.61 0.36 -0.37 1.42 0.87 -0.84 -1.92 113.55 113.69 2q3i h SER 14 Ca 0.18 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.67 2q3i h SER 14 Cb -0.04 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2q3i h SER 14 CO -0.06 0.26 -0.05 0.11 -0.53 0.00 0.00 176.83 176.57 2q3i h LYS 15 N 0.47 0.78 -0.77 2.24 1.57 -1.00 -2.16 116.57 117.70 2q3i h LYS 15 Ca 0.17 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2q3i h LYS 15 Cb 0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 2q3i h LYS 15 CO -0.09 0.82 0.45 0.37 -0.57 0.00 0.00 179.45 180.42 2q3i h GLN 16 N 0.72 1.05 -0.49 3.15 4.15 -0.51 0.59 115.11 123.75 2q3i h GLN 16 Ca 0.13 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 2q3i h GLN 16 Cb 0.51 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2q3i h GLN 16 CO 0.03 0.75 -0.14 -0.22 -1.93 0.00 0.00 178.83 177.32 2q3i h LYS 17 N 1.06 0.94 -0.43 1.69 1.63 -0.87 -0.76 116.57 119.84 2q3i h LYS 17 Ca 0.27 -0.35 -0.10 0.00 -0.85 0.00 0.00 60.65 59.62 2q3i h LYS 17 Cb -0.02 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 2q3i h LYS 17 CO -0.05 1.01 -0.15 0.87 -3.45 0.00 0.00 179.45 177.68 2q3i h LYS 18 N 0.83 0.79 -0.49 1.90 1.57 -0.76 -0.40 116.57 120.01 2q3i h LYS 18 Ca 0.13 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2q3i h LYS 18 Cb 0.68 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 2q3i h LYS 18 CO 0.05 0.90 0.26 0.82 -0.57 0.00 0.00 179.45 180.90 2q3i h ILE 19 N 0.71 1.18 -0.83 1.86 2.04 -0.63 -0.65 117.51 121.19 2q3i h ILE 19 Ca 0.11 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2q3i h ILE 19 Cb 0.65 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2q3i h ILE 19 CO 0.05 0.19 0.49 -0.33 0.00 0.00 0.00 178.15 178.55 2q3i h GLU 20 N 0.65 1.13 -0.49 2.37 5.08 -0.77 -0.21 114.58 122.34 2q3i h GLU 20 Ca 0.17 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2q3i h GLU 20 Cb 0.08 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2q3i h GLU 20 CO -0.03 0.80 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.81 2q3i h ASN 21 N 1.14 0.84 -0.20 1.42 -0.26 -0.56 -1.50 115.58 116.46 2q3i h ASN 21 Ca 0.30 -0.24 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 2q3i h ASN 21 Cb -0.03 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 2q3i h ASN 21 CO -0.05 0.94 0.08 -0.08 -1.06 0.00 0.00 177.43 177.25 2q3i h GLU 22 N 0.78 0.30 -0.90 0.81 4.81 -0.40 -1.87 114.58 118.12 2q3i h GLU 22 Ca 0.14 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2q3i h GLU 22 Cb 0.55 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 2q3i h GLU 22 CO 0.03 0.36 0.58 0.82 -0.73 0.00 0.00 179.01 180.07 2q3i h ILE 23 N 0.17 1.11 -0.65 2.32 2.04 -0.88 -0.75 117.51 120.88 2q3i h ILE 23 Ca 0.07 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 2q3i h ILE 23 Cb 0.17 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 2q3i h ILE 23 CO -0.01 0.20 0.16 0.00 0.00 0.00 0.00 178.15 178.50 2q3i h ALA 24 N 1.39 1.06 -0.46 1.87 0.00 -0.91 -0.75 119.26 121.46 2q3i h ALA 24 Ca 0.37 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2q3i h ALA 24 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2q3i h ALA 24 CO -0.14 0.62 -0.13 0.00 0.00 0.00 0.00 179.25 179.61 2q3i h ARG 25 N 0.97 0.86 -0.55 0.00 3.08 -0.59 -1.90 114.38 116.25 2q3i h ARG 25 Ca 0.21 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 2q3i h ARG 25 Cb 0.34 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2q3i h ARG 25 CO 0.00 0.94 0.17 0.82 -1.07 0.00 0.00 179.97 180.83 2q3i h ILE 26 N 0.77 1.23 -0.52 2.04 2.04 -0.71 -2.20 117.51 120.17 2q3i h ILE 26 Ca 0.12 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 2q3i h ILE 26 Cb 0.64 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2q3i h ILE 26 CO 0.04 0.29 0.14 0.11 0.00 0.00 0.00 178.15 178.73 2q3i h LYS 27 N 0.76 0.78 -0.56 2.37 1.57 -0.88 0.97 116.57 121.57 2q3i h LYS 27 Ca 0.18 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2q3i h LYS 27 Cb 0.27 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2q3i h LYS 27 CO -0.01 0.70 0.12 0.87 -0.57 0.00 0.00 179.45 180.56 2q3i h LYS 28 N 0.76 0.91 -0.32 3.15 1.57 -0.98 -0.49 116.57 121.16 2q3i h LYS 28 Ca 0.17 -0.23 -0.17 0.00 -1.87 0.00 0.00 60.65 58.55 2q3i h LYS 28 Cb 0.26 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2q3i h LYS 28 CO -0.00 0.86 -0.45 1.25 -0.57 0.00 0.00 179.45 180.54 2q3i h LEU 29 N 0.81 0.96 -0.82 2.94 5.85 -0.93 -2.06 115.31 122.05 2q3i h LEU 29 Ca 0.17 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.41 2q3i h LEU 29 Cb 0.38 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2q3i h LEU 29 CO 0.01 1.27 0.54 0.25 -0.34 0.00 0.00 178.44 180.16 2q3i h LEU 30 N 0.67 0.91 -1.22 2.25 5.85 -0.65 -0.65 115.31 122.47 2q3i h LEU 30 Ca 0.03 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2q3i h LEU 30 Cb 1.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2q3i h LEU 30 CO 0.11 0.65 -0.14 1.56 -0.34 0.00 0.00 178.44 180.27 2q3i h GLN 31 N 1.08 0.36 -0.68 1.25 1.08 -0.90 -1.11 115.11 116.19 2q3i h GLN 31 Ca 0.31 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.34 2q3i h GLN 31 Cb -0.07 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 2q3i h GLN 31 CO -0.09 0.51 0.12 -0.07 -0.95 0.00 0.00 178.83 178.35 2q3i h LEU 32 N 0.34 1.07 -0.86 1.46 3.38 -0.51 -1.69 115.31 118.49 2q3i h LEU 32 Ca 0.06 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2q3i h LEU 32 Cb 0.46 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2q3i h LEU 32 CO 0.03 1.05 -0.19 0.71 0.09 0.00 0.00 178.44 180.12 2q3i h THR 33 N 1.05 1.26 -0.43 0.22 1.35 -0.31 0.73 112.91 116.78 2q3i h THR 33 Ca 0.21 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2q3i h THR 33 Cb 0.43 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 2q3i h THR 33 CO 0.01 0.40 0.29 0.58 -0.25 0.00 0.00 175.52 176.55 2q3i h VAL 34 N 0.56 1.11 -0.72 6.82 2.07 -1.02 -0.65 116.25 124.42 2q3i h VAL 34 Ca 0.09 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2q3i h VAL 34 Cb 0.64 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2q3i h VAL 34 CO 0.05 0.11 0.37 -0.25 0.02 0.00 0.00 177.57 177.86 2q3i h TRP 35 N 0.58 1.01 -0.59 1.57 7.01 -0.80 -1.36 115.95 123.38 2q3i h TRP 35 Ca 0.16 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 2q3i h TRP 35 Cb -0.07 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.65 2q3i h TRP 35 CO -0.05 0.73 0.26 0.78 -2.79 0.00 0.00 178.44 177.38 2q3i h GLY 36 N 1.00 0.94 0.98 2.65 0.00 -0.45 0.47 103.07 108.65 2q3i h GLY 36 Ca 0.25 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 2q3i h GLY 36 CO -0.04 0.46 0.04 -2.22 0.00 0.00 0.00 176.54 174.79 2q3i h ILE 37 N 0.82 1.25 -1.00 2.60 2.04 -0.98 -0.98 117.51 121.26 2q3i h ILE 37 Ca 0.20 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.10 2q3i h ILE 37 Cb 0.17 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2q3i h ILE 37 CO -0.02 0.34 0.66 0.50 0.00 0.00 0.00 178.15 179.63 2q3i h LYS 38 N 0.65 1.32 -0.35 2.37 3.64 -0.90 -0.68 116.57 122.62 2q3i h LYS 38 Ca 0.14 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2q3i h LYS 38 Cb 0.44 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2q3i h LYS 38 CO 0.02 0.87 0.06 1.96 -2.27 0.00 0.00 179.45 180.09 2q3i h GLN 39 N 1.36 0.58 -0.31 1.90 1.08 -0.59 -0.97 115.11 118.16 2q3i h GLN 39 Ca 0.37 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.41 2q3i h GLN 39 Cb -0.16 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 2q3i h GLN 39 CO -0.08 0.65 0.17 -0.07 -0.95 0.00 0.00 178.83 178.55 2q3i h LEU 40 N 0.42 0.39 -0.52 1.46 3.38 -0.82 0.56 115.31 120.17 2q3i h LEU 40 Ca 0.11 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2q3i h LEU 40 Cb 0.34 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2q3i h LEU 40 CO 0.01 0.36 0.33 -0.61 0.09 0.00 0.00 178.44 178.61 2q3i h GLN 41 N 0.39 0.64 -0.42 1.13 4.15 -1.02 -1.28 115.11 118.70 2q3i h GLN 41 Ca 0.11 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.35 2q3i h GLN 41 Cb 0.06 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 2q3i h GLN 41 CO -0.02 0.42 -0.31 0.00 -1.93 0.00 0.00 178.83 177.00 2q3i h ALA 42 N 1.22 0.61 -0.26 3.38 0.00 -0.87 0.77 119.26 124.11 2q3i h ALA 42 Ca 0.20 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 2q3i h ALA 42 Cb -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2q3i h ALA 42 CO -0.07 0.66 -0.51 -0.09 0.00 0.00 0.00 179.25 179.24 2q3i h ARG 43 N 0.79 0.74 0.01 0.00 9.65 -0.78 -3.37 114.38 121.43 2q3i h ARG 43 Ca 0.08 -0.45 -0.32 0.00 -1.10 0.00 0.00 59.98 58.19 2q3i h ARG 43 Cb 0.90 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.47 2q3i h ARG 43 CO 0.08 1.07 -1.76 -0.89 2.80 0.00 0.00 179.97 181.28 2q3i n ILE 44 N -4.00 1.55 0.99 1.20 5.41 -0.49 -5.10 119.36 118.93 2q3i n ILE 44 Ca -0.03 -0.21 0.12 0.00 1.00 0.00 0.00 62.75 63.63 2q3i n ILE 44 Cb 0.60 -1.94 0.10 0.00 -0.71 0.00 0.00 39.64 37.68 2q3i n ILE 44 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73