#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r5b h MET 2 N 0.00 0.29 -0.36 -0.14 4.05 -2.06 -2.31 114.93 114.40 2r5b h MET 2 Ca 0.00 -0.10 -0.15 0.00 -0.28 0.00 0.00 59.70 59.16 2r5b h MET 2 Cb 0.00 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2r5b h MET 2 CO 0.00 0.55 -0.38 0.87 0.23 0.00 0.00 176.91 178.18 2r5b h LYS 3 N 0.26 0.86 -0.90 0.39 1.57 -2.05 -2.29 116.57 114.41 2r5b h LYS 3 Ca 0.04 -0.45 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2r5b h LYS 3 Cb 0.62 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 2r5b h LYS 3 CO 0.04 1.09 0.54 1.96 -0.57 0.00 0.00 179.45 182.52 2r5b h GLN 4 N 0.71 1.21 -0.04 3.15 4.20 -1.95 -0.69 115.11 121.69 2r5b h GLN 4 Ca 0.06 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2r5b h GLN 4 Cb 0.96 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 2r5b h GLN 4 CO 0.09 0.84 0.01 0.82 -0.67 0.00 0.00 178.83 179.93 2r5b h ILE 5 N 1.23 1.16 -0.87 2.54 2.04 -1.32 -1.12 117.51 121.18 2r5b h ILE 5 Ca 0.32 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.73 2r5b h ILE 5 Cb -0.06 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 2r5b h ILE 5 CO -0.06 0.13 0.56 -0.33 0.00 0.00 0.00 178.15 178.45 2r5b h GLU 6 N -0.12 1.05 -0.23 2.37 5.08 -1.14 -1.62 114.58 119.97 2r5b h GLU 6 Ca 0.01 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 2r5b h GLU 6 Cb 0.20 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2r5b h GLU 6 CO -0.00 0.70 -0.25 -0.44 -1.00 0.00 0.00 179.01 178.01 2r5b h ASP 7 N 1.08 0.63 -0.28 1.42 3.45 -1.11 -1.83 116.42 119.78 2r5b h ASP 7 Ca 0.35 -0.48 0.06 0.00 0.43 0.00 0.00 57.03 57.38 2r5b h ASP 7 Cb 0.02 -0.18 -0.05 0.00 -0.56 0.00 0.00 39.33 38.56 2r5b h ASP 7 CO -0.12 0.98 -0.07 0.50 -1.57 0.00 0.00 179.24 178.96 2r5b h LYS 8 N 0.28 0.00 -0.73 3.56 1.63 -0.98 -0.50 116.57 119.84 2r5b h LYS 8 Ca 0.03 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2r5b h LYS 8 Cb 0.81 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.41 2r5b h LYS 8 CO 0.06 0.00 0.41 0.82 -3.45 0.00 0.00 179.45 177.29 2r5b h ILE 9 N 0.00 1.21 0.05 2.00 2.04 -1.27 0.35 117.51 121.89 2r5b h ILE 9 Ca 0.14 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.50 2r5b h ILE 9 Cb 0.21 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2r5b h ILE 9 CO -0.29 0.23 -0.14 -0.33 0.00 0.00 0.00 178.15 177.63 2r5b h GLU 10 N 1.01 -0.24 -0.59 2.37 5.08 -0.81 -0.59 114.58 120.81 2r5b h GLU 10 Ca 0.26 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.68 2r5b h GLU 10 Cb 0.01 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2r5b h GLU 10 CO -0.04 -0.16 0.33 0.93 -1.00 0.00 0.00 179.01 179.07 2r5b h GLU 11 N -0.25 0.62 -0.67 2.33 5.08 -0.46 -1.12 114.58 120.11 2r5b h GLU 11 Ca 0.03 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2r5b h GLU 11 Cb 0.29 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2r5b h GLU 11 CO -0.10 0.41 0.42 0.82 -1.00 0.00 0.00 179.01 179.56 2r5b h ILE 12 N 0.64 1.09 -0.42 3.13 2.04 -0.79 -2.06 117.51 121.15 2r5b h ILE 12 Ca 0.26 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 2r5b h ILE 12 Cb 0.12 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2r5b h ILE 12 CO -0.15 0.15 0.09 -0.33 0.00 0.00 0.00 178.15 177.91 2r5b h GLU 13 N 0.82 0.68 -0.89 2.37 5.08 -0.29 0.53 114.58 122.88 2r5b h GLU 13 Ca 0.27 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2r5b h GLU 13 Cb 0.01 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2r5b h GLU 13 CO -0.10 0.70 0.50 0.77 -1.00 0.00 0.00 179.01 179.88 2r5b h SER 14 N 0.54 1.10 -0.24 1.42 0.02 -1.19 -2.10 113.55 113.10 2r5b h SER 14 Ca 0.13 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 2r5b h SER 14 Cb 0.34 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 2r5b h SER 14 CO 0.00 0.87 -0.38 0.50 -1.14 0.00 0.00 176.83 176.68 2r5b h LYS 15 N 1.24 0.68 -0.94 3.45 3.11 -1.08 -2.29 116.57 120.73 2r5b h LYS 15 Ca 0.32 -0.41 0.04 0.00 -2.81 0.00 0.00 60.65 57.78 2r5b h LYS 15 Cb 0.00 0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.22 2r5b h LYS 15 CO -0.05 1.03 0.61 0.37 -2.81 0.00 0.00 179.45 178.60 2r5b h GLN 16 N 0.40 1.15 -0.89 1.90 4.15 -0.77 -0.11 115.11 120.94 2r5b h GLN 16 Ca 0.02 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 2r5b h GLN 16 Cb 0.97 -0.26 -0.04 0.00 0.21 0.00 0.00 27.48 28.36 2r5b h GLN 16 CO 0.09 0.76 0.55 -0.22 -1.93 0.00 0.00 178.83 178.08 2r5b h LYS 17 N 1.18 1.19 -0.66 1.69 1.63 -1.30 0.49 116.57 120.80 2r5b h LYS 17 Ca 0.38 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 60.04 2r5b h LYS 17 Cb 0.01 -0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 31.36 2r5b h LYS 17 CO -0.12 0.82 0.25 0.87 -3.45 0.00 0.00 179.45 177.82 2r5b h LYS 18 N 1.22 0.99 -0.31 1.90 1.57 -0.76 -0.37 116.57 120.81 2r5b h LYS 18 Ca 0.32 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2r5b h LYS 18 Cb -0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2r5b h LYS 18 CO -0.06 0.84 0.15 0.82 -0.57 0.00 0.00 179.45 180.62 2r5b h ILE 19 N 0.93 1.15 -0.65 1.86 2.04 -0.78 -0.54 117.51 121.52 2r5b h ILE 19 Ca 0.22 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.70 2r5b h ILE 19 Cb 0.23 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 2r5b h ILE 19 CO -0.02 0.15 0.38 -0.33 0.00 0.00 0.00 178.15 178.34 2r5b h GLU 20 N 0.36 0.70 -0.79 2.37 5.08 -0.74 0.58 114.58 122.14 2r5b h GLU 20 Ca 0.11 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2r5b h GLU 20 Cb 0.11 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2r5b h GLU 20 CO -0.01 0.46 0.38 -0.91 -1.00 0.00 0.00 179.01 177.93 2r5b h ASN 21 N 0.72 1.03 -0.50 1.42 2.35 -0.78 -1.50 115.58 118.32 2r5b h ASN 21 Ca 0.28 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 2r5b h ASN 21 Cb 0.11 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2r5b h ASN 21 CO -0.15 0.87 -0.11 -0.08 -1.65 0.00 0.00 177.43 176.31 2r5b h GLU 22 N 1.11 0.96 -0.63 0.81 4.57 -0.62 -1.69 114.58 119.09 2r5b h GLU 22 Ca 0.27 -0.36 0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2r5b h GLU 22 Cb 0.11 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 2r5b h GLU 22 CO -0.04 1.03 0.40 0.82 -1.18 0.00 0.00 179.01 180.05 2r5b h ILE 23 N 0.82 1.11 -0.78 2.32 2.04 -0.75 -0.86 117.51 121.41 2r5b h ILE 23 Ca 0.13 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.75 2r5b h ILE 23 Cb 0.67 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2r5b h ILE 23 CO 0.05 0.15 0.49 0.00 0.00 0.00 0.00 178.15 178.84 2r5b h ALA 24 N 1.26 1.03 -0.27 1.87 0.00 -0.97 -0.63 119.26 121.55 2r5b h ALA 24 Ca 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2r5b h ALA 24 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2r5b h ALA 24 CO -0.09 0.30 0.08 0.00 0.00 0.00 0.00 179.25 179.54 2r5b h ARG 25 N 0.96 0.42 -0.36 0.00 3.08 -0.97 -2.79 114.38 114.73 2r5b h ARG 25 Ca 0.31 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.31 2r5b h ARG 25 Cb 0.02 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 2r5b h ARG 25 CO -0.12 0.50 0.11 0.82 -1.07 0.00 0.00 179.97 180.21 2r5b h ILE 26 N 0.27 0.88 -0.94 2.04 2.04 -0.84 -1.48 117.51 119.48 2r5b h ILE 26 Ca 0.09 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2r5b h ILE 26 Cb 0.25 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 2r5b h ILE 26 CO -0.00 0.05 0.61 0.11 0.00 0.00 0.00 178.15 178.91 2r5b h LYS 27 N 0.26 1.11 -0.29 2.37 1.57 -1.07 0.14 116.57 120.65 2r5b h LYS 27 Ca 0.16 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2r5b h LYS 27 Cb 0.15 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2r5b h LYS 27 CO -0.18 0.74 0.02 0.87 -0.57 0.00 0.00 179.45 180.33 2r5b h LYS 28 N 1.15 0.50 -0.45 3.15 1.57 -1.19 -1.37 116.57 119.93 2r5b h LYS 28 Ca 0.39 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.90 2r5b h LYS 28 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2r5b h LYS 28 CO -0.14 0.63 -0.18 1.25 -0.57 0.00 0.00 179.45 180.44 2r5b h LEU 29 N 0.30 0.93 -0.90 2.94 5.85 -0.99 -1.97 115.31 121.48 2r5b h LEU 29 Ca 0.09 -0.39 0.10 0.00 0.84 0.00 0.00 57.88 58.51 2r5b h LEU 29 Cb 0.39 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 2r5b h LEU 29 CO 0.01 1.11 0.54 0.25 -0.34 0.00 0.00 178.44 180.01 2r5b h LEU 30 N 0.74 0.80 -0.82 2.25 5.85 -0.67 -1.47 115.31 121.98 2r5b h LEU 30 Ca 0.10 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 2r5b h LEU 30 Cb 0.74 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2r5b h LEU 30 CO 0.06 0.45 -0.26 1.56 -0.34 0.00 0.00 178.44 179.92 2r5b h GLN 31 N 0.90 0.59 -0.67 1.25 1.08 -0.96 -1.86 115.11 115.44 2r5b h GLN 31 Ca 0.43 -0.24 0.03 0.00 -1.45 0.00 0.00 58.65 57.42 2r5b h GLN 31 Cb 0.37 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 2r5b h GLN 31 CO -0.24 0.79 0.41 -0.07 -0.95 0.00 0.00 178.83 178.77 2r5b h LEU 32 N 0.52 0.67 -0.49 1.46 3.38 -0.73 -1.95 115.31 118.17 2r5b h LEU 32 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2r5b h LEU 32 Cb 0.71 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2r5b h LEU 32 CO 0.05 0.46 -0.13 0.71 0.09 0.00 0.00 178.44 179.62 2r5b h THR 33 N 0.80 1.27 -0.40 0.22 1.35 -0.97 0.14 112.91 115.31 2r5b h THR 33 Ca 0.27 -1.28 0.08 0.00 -0.55 0.00 0.00 66.41 64.93 2r5b h THR 33 Cb 0.03 1.08 -0.08 0.00 -1.73 0.00 0.00 68.15 67.45 2r5b h THR 33 CO -0.11 0.44 -0.12 0.58 -0.25 0.00 0.00 175.52 176.06 2r5b h VAL 34 N 0.81 0.56 -0.62 6.82 2.07 -1.22 -0.99 116.25 123.69 2r5b h VAL 34 Ca 0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 2r5b h VAL 34 Cb 0.70 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2r5b h VAL 34 CO 0.05 0.00 0.28 -0.25 0.02 0.00 0.00 177.57 177.67 2r5b h TRP 35 N -0.02 0.91 -0.34 1.57 7.01 -0.99 -2.04 115.95 122.05 2r5b h TRP 35 Ca 0.20 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 2r5b h TRP 35 Cb 0.32 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 2r5b h TRP 35 CO -0.37 0.70 0.17 0.78 -2.79 0.00 0.00 178.44 176.93 2r5b h GLY 36 N 0.86 0.52 0.90 2.65 0.00 -0.32 -1.77 103.07 105.91 2r5b h GLY 36 Ca 0.21 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.31 2r5b h GLY 36 CO -0.02 0.24 0.34 -2.22 0.00 0.00 0.00 176.54 174.87 2r5b h ILE 37 N 0.42 1.07 -0.47 2.60 2.04 -1.09 -2.13 117.51 119.94 2r5b h ILE 37 Ca 0.12 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.82 2r5b h ILE 37 Cb 0.10 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 2r5b h ILE 37 CO -0.02 0.12 0.11 0.50 0.00 0.00 0.00 178.15 178.87 2r5b h LYS 38 N 0.67 0.25 -0.60 2.37 3.64 -1.13 -0.91 116.57 120.86 2r5b h LYS 38 Ca 0.22 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2r5b h LYS 38 Cb 0.00 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2r5b h LYS 38 CO -0.09 0.16 0.21 1.96 -2.27 0.00 0.00 179.45 179.43 2r5b h GLN 39 N 0.26 0.92 -0.51 1.90 1.08 -1.03 -2.53 115.11 115.21 2r5b h GLN 39 Ca 0.23 -0.19 -0.11 0.00 -1.45 0.00 0.00 58.65 57.14 2r5b h GLN 39 Cb 0.29 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 2r5b h GLN 39 CO -0.29 0.81 -0.13 -0.07 -0.95 0.00 0.00 178.83 178.20 2r5b h LEU 40 N 0.85 0.97 -0.55 1.46 3.38 -1.07 -1.15 115.31 119.20 2r5b h LEU 40 Ca 0.20 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2r5b h LEU 40 Cb 0.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2r5b h LEU 40 CO -0.01 1.10 0.23 -0.61 0.09 0.00 0.00 178.44 179.24 2r5b h GLN 41 N 0.86 0.81 -0.35 1.13 4.15 -1.15 -1.65 115.11 118.92 2r5b h GLN 41 Ca 0.13 -0.14 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 2r5b h GLN 41 Cb 0.68 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 2r5b h GLN 41 CO 0.05 0.70 -0.12 0.00 -1.93 0.00 0.00 178.83 177.53 2r5b h ALA 42 N 1.08 1.15 -0.30 3.38 0.00 -1.25 0.36 119.26 123.67 2r5b h ALA 42 Ca 0.19 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2r5b h ALA 42 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2r5b h ALA 42 CO -0.02 0.54 -0.05 -0.09 0.00 0.00 0.00 179.25 179.63 2r5b h ARG 43 N 0.55 0.56 0.00 0.00 2.43 -1.09 -3.19 114.38 113.64 2r5b h ARG 43 Ca 0.10 -0.20 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 2r5b h ARG 43 Cb 0.53 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2r5b h ARG 43 CO 0.03 0.74 -0.45 -0.84 -1.51 0.00 0.00 179.97 177.94 2r5b h ILE 44 N 0.33 1.15 -0.01 1.20 3.07 -1.08 -3.51 117.51 118.66 2r5b h ILE 44 Ca 0.08 -1.66 0.00 0.00 1.55 0.00 0.00 64.86 64.83 2r5b h ILE 44 Cb 0.52 1.94 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 2r5b h ILE 44 CO 0.03 0.45 0.00 0.18 -1.05 0.00 0.00 178.15 177.75