#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3c h MET 2 N 0.00 0.06 -0.15 5.56 2.86 -2.05 -0.61 114.93 120.60 2r3c h MET 2 Ca 0.00 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2r3c h MET 2 Cb 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2r3c h MET 2 CO 0.00 0.07 -0.33 -0.22 1.06 0.00 0.00 176.91 177.49 2r3c h LYS 3 N 0.06 0.49 -0.14 1.72 3.11 -2.05 -0.52 116.57 119.23 2r3c h LYS 3 Ca 0.02 -0.32 -0.11 0.00 -2.81 0.00 0.00 60.65 57.43 2r3c h LYS 3 Cb 0.04 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 2r3c h LYS 3 CO 0.00 0.93 -0.38 1.96 -2.81 0.00 0.00 179.45 179.15 2r3c h GLN 4 N 0.11 0.30 -0.34 1.90 4.20 -1.79 -2.53 115.11 116.95 2r3c h GLN 4 Ca 0.00 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 2r3c h GLN 4 Cb 0.92 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 2r3c h GLN 4 CO 0.07 0.64 -0.04 0.82 -0.67 0.00 0.00 178.83 179.65 2r3c h ILE 5 N 0.25 1.27 -0.81 2.54 2.04 -1.02 -1.60 117.51 120.18 2r3c h ILE 5 Ca 0.03 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 2r3c h ILE 5 Cb 0.79 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 2r3c h ILE 5 CO 0.06 0.34 0.50 -0.33 0.00 0.00 0.00 178.15 178.72 2r3c h GLU 6 N 0.41 1.09 0.00 2.37 5.08 -0.98 -0.87 114.58 121.69 2r3c h GLU 6 Ca 0.09 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2r3c h GLU 6 Cb 0.51 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2r3c h GLU 6 CO 0.02 0.76 -0.48 -0.44 -1.00 0.00 0.00 179.01 177.88 2r3c h ASP 7 N 1.11 0.00 0.01 1.42 3.45 -1.38 -2.80 116.42 118.23 2r3c h ASP 7 Ca 0.29 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.52 2r3c h ASP 7 Cb -0.06 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.73 2r3c h ASP 7 CO -0.06 0.48 -0.87 0.50 -1.57 0.00 0.00 179.24 177.73 2r3c h LYS 8 N 0.00 0.67 -0.58 3.56 1.63 -0.81 -2.78 116.57 118.26 2r3c h LYS 8 Ca -0.00 -0.62 -0.04 0.00 -0.85 0.00 0.00 60.65 59.14 2r3c h LYS 8 Cb 1.13 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.89 2r3c h LYS 8 CO 0.06 1.22 0.19 0.82 -3.45 0.00 0.00 179.45 178.30 2r3c h ILE 9 N 0.43 1.22 -0.13 2.00 2.04 -1.09 -1.30 117.51 120.68 2r3c h ILE 9 Ca -0.08 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 64.94 2r3c h ILE 9 Cb 1.50 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2r3c h ILE 9 CO 0.17 0.29 -0.38 -0.33 0.00 0.00 0.00 178.15 177.90 2r3c h GLU 10 N 0.85 0.27 -0.01 2.37 5.08 -1.45 -0.48 114.58 121.21 2r3c h GLU 10 Ca 0.19 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 2r3c h GLU 10 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2r3c h GLU 10 CO -0.01 0.62 -0.81 0.93 -1.00 0.00 0.00 179.01 178.74 2r3c h GLU 11 N 0.23 0.15 -0.21 2.33 5.08 -1.11 -1.51 114.58 119.55 2r3c h GLU 11 Ca 0.02 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.03 2r3c h GLU 11 Cb 0.78 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.08 2r3c h GLU 11 CO 0.06 0.88 -0.66 0.82 -1.00 0.00 0.00 179.01 179.11 2r3c h ILE 12 N 0.09 1.28 -0.40 3.13 2.04 -0.97 -2.25 117.51 120.43 2r3c h ILE 12 Ca -0.03 -1.85 -0.09 0.00 1.00 0.00 0.00 64.86 63.88 2r3c h ILE 12 Cb 1.41 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 2r3c h ILE 12 CO 0.12 0.59 -0.13 -0.33 0.00 0.00 0.00 178.15 178.40 2r3c h GLU 13 N 0.58 0.73 -0.42 2.37 5.08 -1.05 -1.37 114.58 120.49 2r3c h GLU 13 Ca -0.02 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2r3c h GLU 13 Cb 1.29 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2r3c h GLU 13 CO 0.14 0.83 0.15 1.03 -1.00 0.00 0.00 179.01 180.16 2r3c h SER 14 N 0.66 0.60 0.07 1.42 0.87 -1.22 -2.21 113.55 113.74 2r3c h SER 14 Ca 0.11 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.40 2r3c h SER 14 Cb 0.60 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2r3c h SER 14 CO 0.04 0.62 -0.27 0.11 -0.53 0.00 0.00 176.83 176.80 2r3c h LYS 15 N 0.54 0.31 -0.21 2.24 1.79 -1.16 -2.41 116.57 117.67 2r3c h LYS 15 Ca 0.14 -0.11 -0.12 0.00 -2.18 0.00 0.00 60.65 58.38 2r3c h LYS 15 Cb 0.22 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2r3c h LYS 15 CO -0.01 0.56 -0.37 0.37 -1.08 0.00 0.00 179.45 178.93 2r3c h GLN 16 N 0.28 0.46 -0.06 3.15 4.15 -0.95 -1.60 115.11 120.54 2r3c h GLN 16 Ca 0.04 -0.22 -0.16 0.00 0.77 0.00 0.00 58.65 59.09 2r3c h GLN 16 Cb 0.62 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 2r3c h GLN 16 CO 0.04 0.77 -0.66 0.87 -1.93 0.00 0.00 178.83 177.92 2r3c h LYS 17 N 0.39 0.27 -0.43 1.69 1.79 -1.07 -0.80 116.57 118.40 2r3c h LYS 17 Ca 0.04 -0.20 -0.15 0.00 -2.18 0.00 0.00 60.65 58.16 2r3c h LYS 17 Cb 0.83 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 2r3c h LYS 17 CO 0.07 0.83 -0.30 -0.22 -1.08 0.00 0.00 179.45 178.75 2r3c h LYS 18 N 0.19 0.97 -0.39 3.15 3.64 -1.17 -1.99 116.57 120.97 2r3c h LYS 18 Ca -0.01 -0.46 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 2r3c h LYS 18 Cb 1.19 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 2r3c h LYS 18 CO 0.10 1.13 0.06 0.82 -2.27 0.00 0.00 179.45 179.29 2r3c h ILE 19 N 0.81 1.24 -0.85 2.00 2.04 -1.15 -1.66 117.51 119.94 2r3c h ILE 19 Ca 0.09 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 2r3c h ILE 19 Cb 0.89 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 2r3c h ILE 19 CO 0.08 0.29 0.47 -0.33 0.00 0.00 0.00 178.15 178.66 2r3c h GLU 20 N 0.49 1.19 -0.34 2.37 5.08 -1.06 -1.15 114.58 121.16 2r3c h GLU 20 Ca 0.12 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2r3c h GLU 20 Cb 0.37 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2r3c h GLU 20 CO 0.01 0.88 -0.26 -0.91 -1.00 0.00 0.00 179.01 177.72 2r3c h ASN 21 N 1.19 0.70 -0.49 1.42 2.35 -1.18 -2.10 115.58 117.47 2r3c h ASN 21 Ca 0.30 -0.26 -0.13 0.00 -0.55 0.00 0.00 56.30 55.67 2r3c h ASN 21 Cb 0.03 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2r3c h ASN 21 CO -0.05 0.93 -0.18 -0.33 -1.65 0.00 0.00 177.43 176.16 2r3c h GLU 22 N 0.60 1.00 -0.52 0.81 5.08 -0.80 -2.66 114.58 118.09 2r3c h GLU 22 Ca 0.08 -0.41 -0.11 0.00 -1.00 0.00 0.00 59.36 57.93 2r3c h GLU 22 Cb 0.75 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2r3c h GLU 22 CO 0.06 1.09 -0.09 0.82 -1.00 0.00 0.00 179.01 179.88 2r3c h ILE 23 N 0.87 1.27 -0.76 3.13 2.04 -1.10 -1.46 117.51 121.50 2r3c h ILE 23 Ca 0.12 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2r3c h ILE 23 Cb 0.75 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 2r3c h ILE 23 CO 0.06 0.43 0.49 0.00 0.00 0.00 0.00 178.15 179.13 2r3c h ALA 24 N 0.91 0.96 -0.46 1.87 0.00 -1.30 0.37 119.26 121.62 2r3c h ALA 24 Ca 0.14 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2r3c h ALA 24 Cb 0.65 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2r3c h ALA 24 CO 0.05 0.40 -0.09 -0.09 0.00 0.00 0.00 179.25 179.51 2r3c h ARG 25 N 1.03 0.87 -0.48 0.00 2.43 -1.30 -2.77 114.38 114.16 2r3c h ARG 25 Ca 0.28 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2r3c h ARG 25 Cb -0.09 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 2r3c h ARG 25 CO -0.06 0.96 0.15 0.82 -1.51 0.00 0.00 179.97 180.33 2r3c h ILE 26 N 0.71 1.23 -0.96 1.20 2.04 -0.89 -2.45 117.51 118.39 2r3c h ILE 26 Ca 0.12 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.24 2r3c h ILE 26 Cb 0.63 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 2r3c h ILE 26 CO 0.04 0.28 0.63 0.11 0.00 0.00 0.00 178.15 179.21 2r3c h LYS 27 N 0.64 1.18 -0.16 2.37 1.57 -0.86 0.12 116.57 121.43 2r3c h LYS 27 Ca 0.15 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.65 2r3c h LYS 27 Cb 0.28 -0.27 0.01 0.00 0.08 0.00 0.00 32.23 32.33 2r3c h LYS 27 CO -0.00 0.78 -0.73 0.87 -0.57 0.00 0.00 179.45 179.80 2r3c h LYS 28 N 1.22 0.78 -0.32 3.15 1.57 -1.33 -1.89 116.57 119.74 2r3c h LYS 28 Ca 0.38 -0.62 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 2r3c h LYS 28 Cb -0.00 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2r3c h LYS 28 CO -0.11 1.23 -0.31 1.25 -0.57 0.00 0.00 179.45 180.94 2r3c h LEU 29 N 0.52 0.71 -0.96 2.94 5.85 -1.11 -1.95 115.31 121.31 2r3c h LEU 29 Ca -0.05 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 2r3c h LEU 29 Cb 1.36 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2r3c h LEU 29 CO 0.15 0.97 -0.08 0.25 -0.34 0.00 0.00 178.44 179.39 2r3c h LEU 30 N 0.58 0.65 -0.86 2.25 5.85 -0.75 -1.54 115.31 121.50 2r3c h LEU 30 Ca 0.07 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2r3c h LEU 30 Cb 0.81 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2r3c h LEU 30 CO 0.07 0.77 -0.33 1.56 -0.34 0.00 0.00 178.44 180.17 2r3c h GLN 31 N 0.62 0.00 -0.06 1.25 1.08 -0.98 -2.41 115.11 114.60 2r3c h GLN 31 Ca 0.12 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.07 2r3c h GLN 31 Cb 0.50 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.95 2r3c h GLN 31 CO 0.03 0.33 -0.94 -0.07 -0.95 0.00 0.00 178.83 177.23 2r3c h LEU 32 N 0.00 0.93 -0.78 1.46 3.38 -0.66 -2.84 115.31 116.79 2r3c h LEU 32 Ca -0.00 -0.69 -0.11 0.00 0.09 0.00 0.00 57.88 57.17 2r3c h LEU 32 Cb 0.91 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2r3c h LEU 32 CO 0.04 1.49 -0.22 0.71 0.09 0.00 0.00 178.44 180.55 2r3c h THR 33 N 0.46 1.27 -0.71 0.22 1.35 -1.15 -0.45 112.91 113.89 2r3c h THR 33 Ca -0.10 -1.31 -0.05 0.00 -0.55 0.00 0.00 66.41 64.41 2r3c h THR 33 Cb 1.58 1.24 -0.03 0.00 -1.73 0.00 0.00 68.15 69.21 2r3c h THR 33 CO 0.19 0.43 0.26 0.58 -0.25 0.00 0.00 175.52 176.73 2r3c h VAL 34 N 0.60 1.25 -0.43 6.82 2.07 -1.48 -0.62 116.25 124.46 2r3c h VAL 34 Ca 0.09 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 2r3c h VAL 34 Cb 0.70 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2r3c h VAL 34 CO 0.05 0.33 -0.05 -0.25 0.02 0.00 0.00 177.57 177.67 2r3c h TRP 35 N 1.03 0.87 -0.54 1.57 7.01 -1.24 -2.65 115.95 121.99 2r3c h TRP 35 Ca 0.24 -0.17 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 2r3c h TRP 35 Cb 0.24 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 2r3c h TRP 35 CO 0.02 0.87 0.28 0.78 -2.79 0.00 0.00 178.44 177.60 2r3c h GLY 36 N 0.61 0.82 1.74 2.65 0.00 -0.59 -2.32 103.07 105.99 2r3c h GLY 36 Ca 0.12 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 2r3c h GLY 36 CO 0.03 0.37 -0.17 -2.22 0.00 0.00 0.00 176.54 174.55 2r3c h ILE 37 N 0.72 1.21 -0.54 2.60 2.04 -1.12 -2.40 117.51 120.03 2r3c h ILE 37 Ca 0.19 -0.96 -0.10 0.00 1.00 0.00 0.00 64.86 64.98 2r3c h ILE 37 Cb 0.08 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2r3c h ILE 37 CO -0.03 0.30 -0.07 0.50 0.00 0.00 0.00 178.15 178.86 2r3c h LYS 38 N 0.29 0.99 -0.16 2.37 3.64 -1.11 -0.81 116.57 121.79 2r3c h LYS 38 Ca 0.05 -0.35 -0.20 0.00 -1.27 0.00 0.00 60.65 58.89 2r3c h LYS 38 Cb 0.47 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2r3c h LYS 38 CO 0.03 1.03 -0.69 1.96 -2.27 0.00 0.00 179.45 179.51 2r3c h GLN 39 N 0.87 0.66 -0.41 1.90 1.08 -1.26 -1.97 115.11 115.98 2r3c h GLN 39 Ca 0.14 -0.49 -0.08 0.00 -1.45 0.00 0.00 58.65 56.77 2r3c h GLN 39 Cb 0.62 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 2r3c h GLN 39 CO 0.04 1.11 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.93 2r3c h LEU 40 N 0.47 0.74 -0.38 1.46 3.38 -1.34 -1.83 115.31 117.81 2r3c h LEU 40 Ca -0.03 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2r3c h LEU 40 Cb 1.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2r3c h LEU 40 CO 0.13 0.89 0.08 -0.61 0.09 0.00 0.00 178.44 179.03 2r3c h GLN 41 N 0.57 0.61 -0.44 1.13 4.15 -1.15 -1.86 115.11 118.11 2r3c h GLN 41 Ca 0.11 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2r3c h GLN 41 Cb 0.54 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 2r3c h GLN 41 CO 0.03 0.65 0.20 0.00 -1.93 0.00 0.00 178.83 177.78 2r3c h ALA 42 N 0.93 1.53 -0.11 3.38 0.00 -1.30 -1.72 119.26 121.97 2r3c h ALA 42 Ca 0.12 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2r3c h ALA 42 Cb 0.32 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2r3c h ALA 42 CO 0.00 0.38 -0.79 -0.09 0.00 0.00 0.00 179.25 178.75 2r3c h ARG 43 N 0.62 0.72 0.00 0.00 2.43 -1.09 -3.29 114.38 113.78 2r3c h ARG 43 Ca 0.16 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2r3c h ARG 43 Cb 0.08 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2r3c h ARG 43 CO -0.02 1.24 -0.03 -0.84 -1.51 0.00 0.00 179.97 178.80 2r3c h ILE 44 N 0.42 0.00 -0.03 1.20 3.07 -1.09 -3.51 117.51 117.57 2r3c h ILE 44 Ca -0.07 -0.77 0.00 0.00 1.55 0.00 0.00 64.86 65.57 2r3c h ILE 44 Cb 1.43 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 39.73 2r3c h ILE 44 CO 0.16 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.44