#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r5d h MET 2 N 0.00 0.89 -0.82 -0.14 2.86 -2.05 -2.28 114.93 113.39 2r5d h MET 2 Ca 0.00 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2r5d h MET 2 Cb 0.00 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.43 2r5d h MET 2 CO 0.00 0.61 0.40 -0.22 1.06 0.00 0.00 176.91 178.76 2r5d h LYS 3 N 0.90 1.17 -0.78 1.72 3.64 -2.05 -0.96 116.57 120.22 2r5d h LYS 3 Ca 0.24 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2r5d h LYS 3 Cb -0.07 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 31.49 2r5d h LYS 3 CO -0.05 0.89 0.49 1.96 -2.27 0.00 0.00 179.45 180.47 2r5d h GLN 4 N 1.16 0.92 -0.10 1.90 4.20 -1.87 0.33 115.11 121.65 2r5d h GLN 4 Ca 0.28 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 2r5d h GLN 4 Cb 0.10 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 2r5d h GLN 4 CO -0.04 0.61 -0.05 0.82 -0.67 0.00 0.00 178.83 179.50 2r5d h ILE 5 N 0.95 1.32 -0.82 2.54 2.04 -1.15 -2.25 117.51 120.13 2r5d h ILE 5 Ca 0.32 -1.08 0.11 0.00 1.00 0.00 0.00 64.86 65.20 2r5d h ILE 5 Cb 0.04 1.83 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 2r5d h ILE 5 CO -0.12 0.31 0.45 -0.33 0.00 0.00 0.00 178.15 178.45 2r5d h GLU 6 N -0.15 0.69 -0.80 2.37 5.08 -0.86 -0.31 114.58 120.61 2r5d h GLU 6 Ca 0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2r5d h GLU 6 Cb 0.51 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2r5d h GLU 6 CO 0.02 0.46 0.34 -0.44 -1.00 0.00 0.00 179.01 178.38 2r5d h ASP 7 N 0.71 1.09 -0.13 1.42 3.45 -0.32 -0.54 116.42 122.10 2r5d h ASP 7 Ca 0.42 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.71 2r5d h ASP 7 Cb 0.47 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 2r5d h ASP 7 CO -0.29 0.95 0.07 0.50 -1.57 0.00 0.00 179.24 178.90 2r5d h LYS 8 N 1.15 0.18 -0.48 3.56 1.63 -0.72 -0.50 116.57 121.39 2r5d h LYS 8 Ca 0.27 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.08 2r5d h LYS 8 Cb 0.19 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 2r5d h LYS 8 CO -0.03 0.20 0.26 0.82 -3.45 0.00 0.00 179.45 177.26 2r5d h ILE 9 N 0.11 0.99 -0.46 2.00 2.04 -0.91 -0.14 117.51 121.13 2r5d h ILE 9 Ca 0.04 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.80 2r5d h ILE 9 Cb 0.08 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 2r5d h ILE 9 CO -0.01 0.09 0.11 -0.33 0.00 0.00 0.00 178.15 178.02 2r5d h GLU 10 N 0.51 0.25 -0.50 2.37 4.39 -0.89 0.70 114.58 121.41 2r5d h GLU 10 Ca 0.21 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.91 2r5d h GLU 10 Cb 0.09 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2r5d h GLU 10 CO -0.13 0.16 0.30 0.93 -1.16 0.00 0.00 179.01 179.11 2r5d h GLU 11 N 0.25 0.58 -0.10 2.33 5.08 -0.31 -0.49 114.58 121.92 2r5d h GLU 11 Ca 0.23 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2r5d h GLU 11 Cb 0.28 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2r5d h GLU 11 CO -0.28 0.39 0.05 0.82 -1.00 0.00 0.00 179.01 178.99 2r5d h ILE 12 N 0.60 1.10 -0.80 3.13 2.04 -0.73 -1.31 117.51 121.55 2r5d h ILE 12 Ca 0.20 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2r5d h ILE 12 Cb 0.01 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 2r5d h ILE 12 CO -0.09 0.09 0.50 -0.33 0.00 0.00 0.00 178.15 178.33 2r5d h GLU 13 N 0.05 0.94 -0.69 2.37 5.08 -0.64 0.15 114.58 121.84 2r5d h GLU 13 Ca 0.03 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2r5d h GLU 13 Cb 0.10 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2r5d h GLU 13 CO -0.00 0.62 0.33 1.03 -1.00 0.00 0.00 179.01 179.98 2r5d h SER 14 N 0.97 0.90 -0.39 1.42 0.87 -0.97 -1.06 113.55 115.29 2r5d h SER 14 Ca 0.33 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.63 2r5d h SER 14 Cb 0.05 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 2r5d h SER 14 CO -0.13 0.78 -0.21 0.50 -0.53 0.00 0.00 176.83 177.25 2r5d h LYS 15 N 0.96 0.89 -0.80 2.24 3.11 -0.45 -2.02 116.57 120.49 2r5d h LYS 15 Ca 0.24 -0.36 -0.05 0.00 -2.81 0.00 0.00 60.65 57.67 2r5d h LYS 15 Cb 0.12 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.28 2r5d h LYS 15 CO -0.03 1.01 0.32 0.37 -2.81 0.00 0.00 179.45 178.31 2r5d h GLN 16 N 0.77 1.19 -0.62 1.90 4.15 -0.42 -0.37 115.11 121.71 2r5d h GLN 16 Ca 0.11 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 2r5d h GLN 16 Cb 0.75 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 2r5d h GLN 16 CO 0.06 0.97 0.31 0.87 -1.93 0.00 0.00 178.83 179.10 2r5d h LYS 17 N 1.16 0.89 -0.53 1.69 1.57 -0.97 0.13 116.57 120.51 2r5d h LYS 17 Ca 0.27 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2r5d h LYS 17 Cb 0.22 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2r5d h LYS 17 CO -0.02 0.71 0.23 0.87 -0.57 0.00 0.00 179.45 180.66 2r5d h LYS 18 N 0.85 0.79 -0.55 3.15 1.57 -1.00 -0.53 116.57 120.84 2r5d h LYS 18 Ca 0.21 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2r5d h LYS 18 Cb 0.11 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2r5d h LYS 18 CO -0.03 0.68 0.34 0.82 -0.57 0.00 0.00 179.45 180.69 2r5d h ILE 19 N 0.72 1.08 -0.95 1.86 2.04 -0.86 -0.20 117.51 121.20 2r5d h ILE 19 Ca 0.18 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2r5d h ILE 19 Cb 0.18 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 2r5d h ILE 19 CO -0.02 0.12 0.59 -0.33 0.00 0.00 0.00 178.15 178.52 2r5d h GLU 20 N 0.68 1.28 -0.35 2.37 5.08 -0.63 0.16 114.58 123.16 2r5d h GLU 20 Ca 0.22 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2r5d h GLU 20 Cb 0.00 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 2r5d h GLU 20 CO -0.09 0.88 0.15 -0.91 -1.00 0.00 0.00 179.01 178.04 2r5d h ASN 21 N 1.30 0.48 -0.30 1.42 2.35 -0.61 -1.94 115.58 118.28 2r5d h ASN 21 Ca 0.34 -0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2r5d h ASN 21 Cb -0.09 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 2r5d h ASN 21 CO -0.07 0.50 0.14 -0.33 -1.65 0.00 0.00 177.43 176.03 2r5d h GLU 22 N 0.43 0.30 -0.40 0.81 5.08 -0.70 -1.85 114.58 118.25 2r5d h GLU 22 Ca 0.12 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2r5d h GLU 22 Cb 0.17 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 2r5d h GLU 22 CO -0.01 0.20 0.13 0.82 -1.00 0.00 0.00 179.01 179.15 2r5d h ILE 23 N 0.31 0.87 -0.72 3.13 1.08 -0.83 0.08 117.51 121.43 2r5d h ILE 23 Ca 0.12 -0.10 0.03 0.00 -0.39 0.00 0.00 64.86 64.52 2r5d h ILE 23 Cb 0.05 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 2r5d h ILE 23 CO -0.09 0.05 0.46 0.00 -0.69 0.00 0.00 178.15 177.88 2r5d h ALA 24 N 1.26 0.94 -0.66 1.87 0.00 -1.09 0.16 119.26 121.74 2r5d h ALA 24 Ca 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2r5d h ALA 24 Cb 0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2r5d h ALA 24 CO -0.19 0.25 0.26 0.00 0.00 0.00 0.00 179.25 179.57 2r5d h ARG 25 N 0.90 0.98 -0.33 0.00 3.08 -0.88 -1.72 114.38 116.41 2r5d h ARG 25 Ca 0.28 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2r5d h ARG 25 Cb -0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 2r5d h ARG 25 CO -0.10 0.82 0.17 0.82 -1.07 0.00 0.00 179.97 180.61 2r5d h ILE 26 N 0.93 1.15 -0.70 2.04 2.04 -0.34 -1.44 117.51 121.19 2r5d h ILE 26 Ca 0.22 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2r5d h ILE 26 Cb 0.21 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 2r5d h ILE 26 CO -0.02 0.15 0.46 0.11 0.00 0.00 0.00 178.15 178.85 2r5d h LYS 27 N 0.41 0.91 -0.22 2.37 1.57 -0.55 0.12 116.57 121.17 2r5d h LYS 27 Ca 0.12 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2r5d h LYS 27 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2r5d h LYS 27 CO -0.02 0.60 0.15 -0.22 -0.57 0.00 0.00 179.45 179.39 2r5d h LYS 28 N 0.93 0.30 -0.47 3.15 3.64 -1.12 0.53 116.57 123.54 2r5d h LYS 28 Ca 0.26 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.49 2r5d h LYS 28 Cb -0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2r5d h LYS 28 CO -0.06 0.20 -0.20 1.25 -2.27 0.00 0.00 179.45 178.37 2r5d h LEU 29 N 0.30 0.98 -0.73 5.20 5.85 -0.92 -1.23 115.31 124.77 2r5d h LEU 29 Ca 0.08 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.42 2r5d h LEU 29 Cb -0.04 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 2r5d h LEU 29 CO -0.02 1.16 0.48 0.25 -0.34 0.00 0.00 178.44 179.97 2r5d h LEU 30 N 0.80 0.83 -0.94 2.25 5.85 -0.59 -0.83 115.31 122.68 2r5d h LEU 30 Ca 0.11 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2r5d h LEU 30 Cb 0.77 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2r5d h LEU 30 CO 0.06 0.60 0.22 1.56 -0.34 0.00 0.00 178.44 180.54 2r5d h GLN 31 N 0.98 0.99 -0.58 1.25 1.08 -0.57 -1.18 115.11 117.07 2r5d h GLN 31 Ca 0.27 -0.19 0.06 0.00 -1.45 0.00 0.00 58.65 57.34 2r5d h GLN 31 Cb -0.11 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.11 2r5d h GLN 31 CO -0.06 0.84 0.28 -0.07 -0.95 0.00 0.00 178.83 178.87 2r5d h LEU 32 N 0.96 0.38 -0.72 1.46 3.38 -0.58 -1.09 115.31 119.10 2r5d h LEU 32 Ca 0.22 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 2r5d h LEU 32 Cb 0.25 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2r5d h LEU 32 CO -0.01 0.25 -0.11 0.71 0.09 0.00 0.00 178.44 179.37 2r5d h THR 33 N 0.53 1.26 -0.12 0.22 1.35 -0.51 0.03 112.91 115.67 2r5d h THR 33 Ca 0.27 -1.20 0.03 0.00 -0.55 0.00 0.00 66.41 64.95 2r5d h THR 33 Cb 0.22 1.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 2r5d h THR 33 CO -0.20 0.42 -0.04 0.58 -0.25 0.00 0.00 175.52 176.02 2r5d h VAL 34 N 0.78 0.86 -0.58 6.82 2.07 -1.01 -1.19 116.25 124.00 2r5d h VAL 34 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 2r5d h VAL 34 Cb 0.62 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 2r5d h VAL 34 CO 0.04 0.00 0.28 -0.25 0.02 0.00 0.00 177.57 177.66 2r5d h TRP 35 N -0.02 0.50 -0.56 1.57 7.01 -0.89 -1.02 115.95 122.56 2r5d h TRP 35 Ca 0.06 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 2r5d h TRP 35 Cb 0.11 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 2r5d h TRP 35 CO -0.17 0.21 0.06 0.78 -2.79 0.00 0.00 178.44 176.53 2r5d h GLY 36 N 0.52 1.01 0.97 2.65 0.00 -0.72 0.23 103.07 107.73 2r5d h GLY 36 Ca 0.27 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 2r5d h GLY 36 CO -0.22 0.65 0.22 -2.22 0.00 0.00 0.00 176.54 174.97 2r5d h ILE 37 N 0.83 1.19 -0.67 2.60 2.04 -1.07 0.31 117.51 122.74 2r5d h ILE 37 Ca 0.17 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.48 2r5d h ILE 37 Cb 0.45 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2r5d h ILE 37 CO 0.02 0.22 0.43 0.50 0.00 0.00 0.00 178.15 179.31 2r5d h LYS 38 N 0.62 0.83 -0.21 2.37 3.64 -0.88 -0.84 116.57 122.10 2r5d h LYS 38 Ca 0.16 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2r5d h LYS 38 Cb 0.14 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2r5d h LYS 38 CO -0.02 0.55 -0.08 0.37 -2.27 0.00 0.00 179.45 178.00 2r5d h GLN 39 N 0.86 0.43 -0.04 1.90 5.75 -0.64 -0.70 115.11 122.66 2r5d h GLN 39 Ca 0.26 -0.18 0.03 0.00 -0.15 0.00 0.00 58.65 58.61 2r5d h GLN 39 Cb -0.03 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.47 2r5d h GLN 39 CO -0.09 0.70 -0.16 -0.07 -2.65 0.00 0.00 178.83 176.56 2r5d h LEU 40 N 0.13 -0.48 -0.95 -2.39 3.38 -0.73 -1.83 115.31 112.44 2r5d h LEU 40 Ca 0.05 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2r5d h LEU 40 Cb 0.56 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2r5d h LEU 40 CO 0.03 -0.22 0.16 -0.61 0.09 0.00 0.00 178.44 177.89 2r5d h GLN 41 N -0.25 0.92 -0.86 1.13 4.15 -1.07 -2.62 115.11 116.52 2r5d h GLN 41 Ca 0.07 -0.19 0.01 0.00 0.77 0.00 0.00 58.65 59.31 2r5d h GLN 41 Cb 0.34 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 2r5d h GLN 41 CO -0.18 0.82 0.57 0.00 -1.93 0.00 0.00 178.83 178.10 2r5d h ALA 42 N 1.28 1.10 0.00 3.38 0.00 -0.91 0.84 119.26 124.95 2r5d h ALA 42 Ca 0.19 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2r5d h ALA 42 Cb 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2r5d h ALA 42 CO -0.00 0.49 -0.54 0.00 0.00 0.00 0.00 179.25 179.19 2r5d h ARG 43 N 1.16 0.00 0.00 0.00 2.47 -0.97 -3.17 114.38 113.86 2r5d h ARG 43 Ca 0.32 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.04 2r5d h ARG 43 Cb -0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 2r5d h ARG 43 CO -0.07 0.54 -0.00 0.82 0.56 0.00 0.00 179.97 181.81 2r5d h ILE 44 N 0.00 1.76 -0.00 2.04 2.04 -1.26 -3.52 117.51 118.57 2r5d h ILE 44 Ca -0.01 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.55 2r5d h ILE 44 Cb 1.05 3.31 0.00 0.00 -0.74 0.00 0.00 36.82 40.43 2r5d h ILE 44 CO 0.07 0.59 0.00 0.18 0.00 0.00 0.00 178.15 178.99