#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjf h VAL 2 N 0.00 1.32 -0.60 1.61 2.07 -2.04 -3.11 116.25 115.50 1pjf h VAL 2 Ca 0.00 -1.39 -0.10 0.00 0.82 0.00 0.00 66.70 66.03 1pjf h VAL 2 Cb 0.00 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1pjf h VAL 2 CO 0.00 0.43 -0.01 0.40 0.02 0.00 0.00 177.57 178.41 1pjf h ILE 3 N 0.27 1.27 -0.97 4.57 2.04 -2.07 -0.60 117.51 122.02 1pjf h ILE 3 Ca 0.04 -1.17 0.17 0.00 1.00 0.00 0.00 64.86 64.90 1pjf h ILE 3 Cb 0.78 0.82 -0.10 0.00 -0.74 0.00 0.00 36.82 37.58 1pjf h ILE 3 CO 0.06 0.42 0.57 0.44 0.00 0.00 0.00 178.15 179.64 1pjf h ASP 4 N 0.96 0.75 0.01 1.72 3.45 -2.04 0.39 116.42 121.66 1pjf h ASP 4 Ca 0.17 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.72 1pjf h ASP 4 Cb 0.57 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 1pjf h ASP 4 CO 0.03 0.30 -0.09 0.35 -1.57 0.00 0.00 179.24 178.26 1pjf n THR 5 N -4.77 0.00 -0.00 0.35 -2.24 -1.09 -4.44 114.28 102.09 1pjf n THR 5 Ca 0.21 -0.33 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1pjf n THR 5 Cb 0.50 0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 1pjf n THR 5 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1pjf h SER 6 N 3.09 -1.72 -0.85 3.42 0.87 0.14 1.52 113.55 120.02 1pjf h SER 6 Ca 0.00 0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1pjf h SER 6 Cb 0.72 0.67 -0.04 0.00 -0.44 0.00 0.00 62.40 63.30 1pjf h SER 6 CO 0.00 -0.49 0.56 0.00 -0.53 0.00 0.00 176.83 176.37 1pjf h ALA 7 N -0.30 1.08 -0.68 6.23 0.00 -1.78 -2.28 119.26 121.54 1pjf h ALA 7 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1pjf h ALA 7 Cb 0.69 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1pjf h ALA 7 CO -0.43 0.49 0.28 0.28 0.00 0.00 0.00 179.25 179.87 1pjf h VAL 8 N 1.16 1.24 -0.95 0.00 2.07 -1.52 0.53 116.25 118.78 1pjf h VAL 8 Ca 0.31 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 67.18 1pjf h VAL 8 Cb -0.13 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 1pjf h VAL 8 CO -0.07 0.29 0.62 -0.08 0.02 0.00 0.00 177.57 178.35 1pjf h GLU 9 N 0.95 1.03 0.05 1.57 4.81 0.27 2.85 114.58 126.11 1pjf h GLU 9 Ca 0.23 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1pjf h GLU 9 Cb 0.19 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1pjf h GLU 9 CO -0.02 0.68 -0.44 0.77 -0.73 0.00 0.00 179.01 179.27 1pjf h SER 10 N 1.07 0.16 -0.51 1.04 0.02 -1.05 -2.50 113.55 111.77 1pjf h SER 10 Ca 0.42 -0.93 -0.10 0.00 -0.84 0.00 0.00 61.79 60.33 1pjf h SER 10 Cb 0.24 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1pjf h SER 10 CO -0.17 1.20 -0.07 0.00 -1.14 0.00 0.00 176.83 176.65 1pjf h ALA 11 N -0.03 0.86 -0.23 3.77 0.00 0.30 0.03 119.26 123.96 1pjf h ALA 11 Ca -0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1pjf h ALA 11 Cb 1.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1pjf h ALA 11 CO 0.03 0.65 -0.04 0.82 0.00 0.00 0.00 179.25 180.71 1pjf h ILE 12 N 0.88 1.28 -0.56 0.00 1.08 0.50 0.29 117.51 120.98 1pjf h ILE 12 Ca 0.15 -1.01 -0.05 0.00 -0.39 0.00 0.00 64.86 63.56 1pjf h ILE 12 Cb 0.61 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.81 1pjf h ILE 12 CO 0.04 0.31 0.14 0.74 -0.69 0.00 0.00 178.15 178.69 1pjf h THR 13 N 0.18 1.25 -0.00 -0.27 2.02 -1.35 2.33 112.91 117.07 1pjf h THR 13 Ca 0.06 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1pjf h THR 13 Cb 0.48 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1pjf h THR 13 CO 0.02 0.32 -0.00 0.44 0.37 0.00 0.00 175.52 176.67 1pjf h ASP 14 N 0.79 0.00 0.00 4.18 3.45 -0.93 -1.91 116.42 122.01 1pjf h ASP 14 Ca 0.18 -0.43 0.00 0.00 0.43 0.00 0.00 57.03 57.21 1pjf h ASP 14 Cb 0.34 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.10 1pjf h ASP 14 CO 0.00 0.43 -0.03 1.23 -1.57 0.00 0.00 179.24 179.30 1pjf h GLY 15 N -0.43 0.00 -0.11 2.75 0.00 -0.37 -3.11 103.07 101.81 1pjf h GLY 15 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1pjf h GLY 15 CO 0.00 0.00 -0.32 -1.61 0.00 0.00 0.00 176.54 174.61 1pjf h GLN 16 N -0.21 -0.26 -0.60 4.80 5.75 0.37 -0.81 115.11 124.14 1pjf h GLN 16 Ca 0.00 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.64 1pjf h GLN 16 Cb 0.03 0.06 -0.09 0.00 1.07 0.00 0.00 27.48 28.55 1pjf h GLN 16 CO 0.00 -0.18 0.10 0.78 -2.65 0.00 0.00 178.83 176.88 1pjf h GLY 17 N -0.27 0.74 1.59 2.39 0.00 0.10 0.57 103.07 108.19 1pjf h GLY 17 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1pjf h GLY 17 CO -0.50 -0.14 0.15 1.22 0.00 0.00 0.00 176.54 177.27 1pjf n ASP 18 N -5.17 0.41 -0.19 0.19 10.43 -0.33 -1.02 116.55 120.87 1pjf n ASP 18 Ca 0.09 0.63 -0.09 0.00 2.57 0.00 0.00 54.79 58.00 1pjf n ASP 18 Cb 0.33 -0.64 0.01 0.00 1.84 0.00 0.00 41.12 42.67 1pjf n ASP 18 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 1pjf h MET 19 N 0.00 0.85 -0.85 -1.24 4.05 0.47 -1.37 114.93 116.85 1pjf h MET 19 Ca 0.00 -0.20 0.05 0.00 -0.28 0.00 0.00 59.70 59.27 1pjf h MET 19 Cb 0.29 -0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 30.92 1pjf h MET 19 CO 0.00 0.81 0.53 -0.22 0.23 0.00 0.00 176.91 178.26 1pjf h LYS 20 N 0.75 0.97 -0.39 0.39 3.64 -1.19 0.26 116.57 121.00 1pjf h LYS 20 Ca 0.17 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1pjf h LYS 20 Cb 0.33 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1pjf h LYS 20 CO 0.00 0.64 -0.21 0.00 -2.27 0.00 0.00 179.45 177.61 1pjf h ALA 21 N 1.38 0.55 -0.06 5.00 0.00 -1.61 0.21 119.26 124.74 1pjf h ALA 21 Ca 0.36 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pjf h ALA 21 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pjf h ALA 21 CO -0.15 0.52 0.02 0.82 0.00 0.00 0.00 179.25 180.45 1pjf h ILE 22 N 0.64 1.17 -0.35 0.00 2.04 -0.58 1.02 117.51 121.46 1pjf h ILE 22 Ca 0.09 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1pjf h ILE 22 Cb 0.77 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1pjf h ILE 22 CO 0.06 0.15 -0.01 1.23 0.00 0.00 0.00 178.15 179.57 1pjf h GLY 23 N -0.11 0.67 0.62 5.37 0.00 -0.50 0.19 103.07 109.32 1pjf h GLY 23 Ca 0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1pjf h GLY 23 CO -0.00 0.47 -0.13 -1.33 0.00 0.00 0.00 176.54 175.55 1pjf h GLY 24 N 0.43 -0.37 0.63 4.60 0.00 -0.52 0.60 103.07 108.44 1pjf h GLY 24 Ca 0.10 0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.66 1pjf h GLY 24 CO 0.02 -0.14 0.63 -1.82 0.00 0.00 0.00 176.54 175.24 1pjf h TYR 25 N -0.74 1.15 -0.04 5.60 3.20 0.11 4.30 116.97 130.54 1pjf h TYR 25 Ca -0.04 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 1pjf h TYR 25 Cb 0.50 -0.37 0.01 0.00 1.54 0.00 0.00 36.73 38.40 1pjf h TYR 25 CO 0.03 0.53 -0.45 0.82 -1.64 0.00 0.00 178.16 177.45 1pjf h ILE 26 N 1.07 1.43 -0.00 1.81 2.04 -0.92 -1.91 117.51 121.03 1pjf h ILE 26 Ca 0.46 -1.91 -0.17 0.00 1.00 0.00 0.00 64.86 64.24 1pjf h ILE 26 Cb 0.33 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 1pjf h ILE 26 CO -0.21 0.55 -0.77 1.62 0.00 0.00 0.00 178.15 179.34 1pjf h VAL 27 N -0.13 1.52 0.00 1.67 3.04 0.83 -2.27 116.25 120.92 1pjf h VAL 27 Ca -0.05 -2.55 -0.06 0.00 -1.01 0.00 0.00 66.70 63.03 1pjf h VAL 27 Cb 1.14 2.38 -0.01 0.00 -2.01 0.00 0.00 31.29 32.79 1pjf h VAL 27 CO 0.09 0.73 -0.28 1.23 -1.01 0.00 0.00 177.57 178.33 1pjf h GLY 28 N 2.13 0.00 1.34 3.17 0.00 0.83 -3.13 103.07 107.42 1pjf h GLY 28 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.03 1pjf h GLY 28 CO 0.11 0.00 -1.46 0.00 0.00 0.00 0.00 176.54 175.19 1pjf h ALA 29 N 1.72 0.41 -0.52 3.60 0.00 -1.21 -3.31 119.26 119.94 1pjf h ALA 29 Ca -0.00 -1.15 0.13 0.00 0.00 0.00 0.00 54.91 53.89 1pjf h ALA 29 Cb 0.97 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1pjf h ALA 29 CO 0.04 1.27 0.36 -0.07 0.00 0.00 0.00 179.25 180.85 1pjf h LEU 30 N 0.04 0.09 -1.48 0.00 3.38 -1.35 0.11 115.31 116.10 1pjf h LEU 30 Ca -0.20 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.90 1pjf h LEU 30 Cb 1.96 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.64 1pjf h LEU 30 CO 0.13 0.05 0.51 0.58 0.09 0.00 0.00 178.44 179.80 1pjf h VAL 31 N 0.09 0.85 -0.51 1.22 2.07 -1.65 -0.40 116.25 117.93 1pjf h VAL 31 Ca 0.25 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1pjf h VAL 31 Cb 0.85 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1pjf h VAL 31 CO -0.02 0.10 0.07 0.40 0.02 0.00 0.00 177.57 178.13 1pjf h ILE 32 N 0.54 1.25 -0.16 4.57 2.04 -1.18 -1.61 117.51 122.95 1pjf h ILE 32 Ca 0.37 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1pjf h ILE 32 Cb 0.69 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1pjf h ILE 32 CO -0.13 0.34 0.08 -0.07 0.00 0.00 0.00 178.15 178.37 1pjf h LEU 33 N 0.72 0.21 -0.90 1.44 3.38 -1.16 -2.57 115.31 116.44 1pjf h LEU 33 Ca 0.15 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1pjf h LEU 33 Cb 0.42 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1pjf h LEU 33 CO 0.01 0.27 0.58 0.00 0.09 0.00 0.00 178.44 179.40 1pjf h ALA 34 N 0.95 1.17 -0.72 1.53 0.00 -1.24 -1.84 119.26 119.11 1pjf h ALA 34 Ca 0.06 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1pjf h ALA 34 Cb 0.12 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1pjf h ALA 34 CO -0.01 0.46 0.40 0.28 0.00 0.00 0.00 179.25 180.38 1pjf h VAL 35 N 1.15 0.93 -0.26 0.00 2.07 -1.02 -2.02 116.25 117.10 1pjf h VAL 35 Ca 0.35 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 1pjf h VAL 35 Cb -0.03 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1pjf h VAL 35 CO -0.11 0.13 0.05 0.00 0.02 0.00 0.00 177.57 177.66 1pjf h ALA 36 N 1.39 0.35 -0.04 1.67 0.00 -1.00 -0.77 119.26 120.87 1pjf h ALA 36 Ca 0.34 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1pjf h ALA 36 Cb 0.27 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1pjf h ALA 36 CO -0.22 0.02 -0.54 0.78 0.00 0.00 0.00 179.25 179.29 1pjf h GLY 37 N 0.25 -1.12 1.07 0.00 0.00 -0.70 0.42 103.07 102.98 1pjf h GLY 37 Ca 0.08 0.67 0.00 0.00 0.00 0.00 0.00 47.33 48.09 1pjf h GLY 37 CO 0.00 -0.22 0.60 1.41 0.00 0.00 0.00 176.54 178.33 1pjf h LEU 38 N -0.65 1.09 -0.60 3.11 3.38 -1.40 -0.56 115.31 119.67 1pjf h LEU 38 Ca 0.02 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1pjf h LEU 38 Cb 0.72 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1pjf h LEU 38 CO -0.38 0.81 0.37 0.40 0.09 0.00 0.00 178.44 179.72 1pjf h ILE 39 N 1.28 1.06 -0.38 1.22 1.08 -0.04 0.84 117.51 122.57 1pjf h ILE 39 Ca 0.34 -0.25 -0.12 0.00 -0.39 0.00 0.00 64.86 64.45 1pjf h ILE 39 Cb -0.11 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 33.91 1pjf h ILE 39 CO -0.07 0.13 -0.23 0.22 -0.69 0.00 0.00 178.15 177.52 1pjf h TYR 40 N 0.72 0.95 -0.01 1.37 3.20 0.35 -0.91 116.97 122.64 1pjf h TYR 40 Ca 0.25 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1pjf h TYR 40 Cb 0.03 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 1pjf h TYR 40 CO -0.06 1.01 -0.00 0.77 -1.64 0.00 0.00 178.16 178.24 1pjf h SER 41 N 0.61 -0.01 -0.66 -2.11 0.02 -0.66 2.76 113.55 113.51 1pjf h SER 41 Ca 0.08 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1pjf h SER 41 Cb 0.79 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 1pjf h SER 41 CO 0.06 -0.01 0.21 -0.03 -1.14 0.00 0.00 176.83 175.93 1pjf h MET 42 N -0.00 1.02 -0.06 3.45 1.85 -0.84 4.84 114.93 125.19 1pjf h MET 42 Ca 0.00 -0.22 -0.24 0.00 -0.61 0.00 0.00 59.70 58.63 1pjf h MET 42 Cb 0.01 -0.15 0.02 0.00 0.43 0.00 0.00 31.60 31.91 1pjf h MET 42 CO -0.01 0.89 -0.91 -0.07 -0.40 0.00 0.00 176.91 176.41 1pjf h LEU 43 N 0.96 0.91 0.08 3.39 3.38 -0.87 0.37 115.31 123.52 1pjf h LEU 43 Ca 0.21 -0.70 -0.27 0.00 0.09 0.00 0.00 57.88 57.22 1pjf h LEU 43 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1pjf h LEU 43 CO -0.01 1.47 -1.30 -0.09 0.09 0.00 0.00 178.44 178.60 1pjf h ARG 44 N 0.42 0.16 -0.05 1.13 9.65 0.51 -3.34 114.38 122.86 1pjf h ARG 44 Ca -0.10 -0.28 -0.08 0.00 -1.10 0.00 0.00 59.98 58.42 1pjf h ARG 44 Cb 1.56 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.25 1pjf h ARG 44 CO 0.18 1.06 -0.28 -0.22 2.80 0.00 0.00 179.97 183.51 1pjf h LYS 45 N 0.04 0.29 0.00 0.20 3.64 0.96 -3.49 116.57 118.21 1pjf h LYS 45 Ca -0.15 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1pjf h LYS 45 Cb 1.93 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 1pjf h LYS 45 CO 0.16 0.88 0.00 0.00 -2.27 0.00 0.00 179.45 178.22