#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bde n GLY 51 N 0.00 0.10 0.46 2.98 0.00 -1.26 -4.75 105.19 102.73 1bde n GLY 51 Ca 0.00 -0.44 0.30 0.00 0.00 0.00 0.00 46.02 45.88 1bde n GLY 51 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1bde h ASP 52 N 10.18 0.26 -0.46 1.61 3.58 -2.02 0.53 116.42 130.11 1bde h ASP 52 Ca 0.13 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.68 1bde h ASP 52 Cb 0.80 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.85 1bde h ASP 52 CO 1.47 0.01 0.31 0.74 -2.88 0.00 0.00 179.24 178.89 1bde h THR 53 N 0.21 1.02 0.00 2.25 2.02 -1.98 0.66 112.91 117.09 1bde h THR 53 Ca 0.63 -0.16 -0.12 0.00 0.77 0.00 0.00 66.41 67.53 1bde h THR 53 Cb 1.98 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 1bde h THR 53 CO -0.22 0.09 -0.92 0.79 0.37 0.00 0.00 175.52 175.63 1bde n TRP 54 N -4.48 0.94 -0.12 3.16 7.02 0.16 -3.54 117.44 120.58 1bde n TRP 54 Ca 0.05 0.41 -0.06 0.00 -1.02 0.00 0.00 57.50 56.88 1bde n TRP 54 Cb 0.17 -0.93 0.02 0.00 -2.42 0.00 0.00 31.31 28.16 1bde n TRP 54 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bde h ALA 55 N -0.77 0.48 -0.60 6.99 0.00 -0.68 0.62 119.26 125.31 1bde h ALA 55 Ca -0.18 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1bde h ALA 55 Cb 0.91 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1bde h ALA 55 CO -0.11 -0.19 0.13 0.78 0.00 0.00 0.00 179.25 179.86 1bde h GLY 56 N 0.37 1.04 1.72 0.00 0.00 0.13 0.18 103.07 106.51 1bde h GLY 56 Ca 0.17 -0.67 -0.17 0.00 0.00 0.00 0.00 47.33 46.67 1bde h GLY 56 CO -0.14 0.62 -0.71 -2.08 0.00 0.00 0.00 176.54 174.23 1bde h VAL 57 N 0.88 1.41 0.00 4.60 2.07 -1.51 0.77 116.25 124.47 1bde h VAL 57 Ca 0.19 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 1bde h VAL 57 Cb 0.37 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1bde h VAL 57 CO 0.00 0.65 -0.07 -0.33 0.02 0.00 0.00 177.57 177.85 1bde h GLU 58 N 0.19 0.00 0.18 1.57 4.39 0.58 0.25 114.58 121.73 1bde h GLU 58 Ca -0.02 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.34 1bde h GLU 58 Cb 1.27 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1bde h GLU 58 CO 0.11 0.07 -1.71 0.00 -1.16 0.00 0.00 179.01 176.32 1bde h ALA 59 N 1.93 0.16 0.00 3.43 0.00 -0.56 -3.20 119.26 121.03 1bde h ALA 59 Ca -0.00 -1.14 -0.18 0.00 0.00 0.00 0.00 54.91 53.59 1bde h ALA 59 Cb 0.67 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1bde h ALA 59 CO 0.01 1.00 -0.83 -0.84 0.00 0.00 0.00 179.25 178.58 1bde h ILE 60 N 0.05 1.53 0.00 0.00 3.07 -0.66 -2.18 117.51 119.31 1bde h ILE 60 Ca -0.34 -2.67 -0.00 0.00 1.55 0.00 0.00 64.86 63.40 1bde h ILE 60 Cb 2.05 2.46 -0.00 0.00 -0.27 0.00 0.00 36.82 41.06 1bde h ILE 60 CO 0.16 0.77 -0.00 0.40 -1.05 0.00 0.00 178.15 178.43 1bde h ILE 61 N 0.06 0.34 0.04 0.16 2.04 -0.60 0.18 117.51 119.74 1bde h ILE 61 Ca -0.03 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1bde h ILE 61 Cb 1.46 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1bde h ILE 61 CO 0.12 0.00 -0.02 -0.09 0.00 0.00 0.00 178.15 178.16 1bde h ARG 62 N 0.00 -0.05 0.00 2.37 2.43 -1.38 -2.77 114.38 114.98 1bde h ARG 62 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1bde h ARG 62 Cb 0.01 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1bde h ARG 62 CO 0.00 0.60 -0.50 -0.84 -1.51 0.00 0.00 179.97 177.72 1bde h ILE 63 N -0.86 1.27 -0.07 1.20 -0.00 -1.44 0.17 117.51 117.79 1bde h ILE 63 Ca -0.01 -1.75 -0.09 0.00 -0.00 0.00 0.00 64.86 63.02 1bde h ILE 63 Cb 0.68 1.96 -0.01 0.00 -0.00 0.00 0.00 36.82 39.45 1bde h ILE 63 CO 0.01 0.49 -0.35 0.25 -0.00 0.00 0.00 178.15 178.54 1bde h LEU 64 N 0.00 0.14 0.00 0.16 5.85 -0.72 0.21 115.31 120.95 1bde h LEU 64 Ca -0.00 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1bde h LEU 64 Cb 0.92 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1bde h LEU 64 CO 0.06 0.49 -0.18 1.56 -0.34 0.00 0.00 178.44 180.04 1bde h GLN 65 N 0.12 0.00 -0.97 1.25 7.50 -1.15 -2.01 115.11 119.85 1bde h GLN 65 Ca 0.01 0.00 0.19 0.00 0.50 0.00 0.00 58.65 59.36 1bde h GLN 65 Cb 0.69 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 28.13 1bde h GLN 65 CO 0.05 0.59 0.61 1.96 -1.50 0.00 0.00 178.83 180.54 1bde h GLN 66 N -1.00 0.63 0.17 1.46 4.20 -0.59 0.41 115.11 120.39 1bde h GLN 66 Ca -0.04 -0.04 -0.31 0.00 0.06 0.00 0.00 58.65 58.33 1bde h GLN 66 Cb 0.66 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.31 1bde h GLN 66 CO -0.02 0.42 -1.43 -0.07 -0.67 0.00 0.00 178.83 177.05 1bde h LEU 67 N 0.65 0.56 -0.83 1.46 3.38 -0.71 -2.95 115.31 116.87 1bde h LEU 67 Ca 0.53 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1bde h LEU 67 Cb 0.98 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1bde h LEU 67 CO -0.30 1.52 0.00 -0.11 0.09 0.00 0.00 178.44 179.65 1bde n LEU 68 N -3.57 0.58 0.03 1.67 7.94 0.07 -0.95 117.00 122.78 1bde n LEU 68 Ca -0.14 0.68 -0.12 0.00 -1.11 0.00 0.00 56.01 55.31 1bde n LEU 68 Cb 1.06 -0.64 -0.01 0.00 0.53 0.00 0.00 43.42 44.36 1bde n LEU 68 CO 0.55 -0.64 0.32 -0.26 -1.11 0.00 0.00 177.39 176.24 1bde h PHE 69 N 0.00 0.72 -0.84 1.96 0.04 -0.11 -3.16 116.94 115.55 1bde h PHE 69 Ca 0.00 -0.32 0.21 0.00 2.80 0.00 0.00 57.97 60.66 1bde h PHE 69 Cb 0.25 -0.11 -0.14 0.00 2.20 0.00 0.00 35.95 38.15 1bde h PHE 69 CO 0.00 1.11 0.11 0.82 -0.60 0.00 0.00 178.31 179.74 1bde h ILE 70 N 0.36 0.29 -0.86 -0.55 2.04 -1.07 0.29 117.51 118.02 1bde h ILE 70 Ca -0.04 -0.05 0.22 0.00 1.00 0.00 0.00 64.86 65.99 1bde h ILE 70 Cb 1.35 0.14 -0.13 0.00 -0.74 0.00 0.00 36.82 37.45 1bde h ILE 70 CO 0.14 0.03 0.30 -0.74 0.00 0.00 0.00 178.15 177.87 1bde h HIS 71 N 0.14 0.48 0.00 1.37 -0.00 -1.64 0.55 115.15 116.05 1bde h HIS 71 Ca 0.49 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.85 1bde h HIS 71 Cb 0.95 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.27 1bde h HIS 71 CO -0.36 -0.11 -0.26 0.35 -0.00 0.00 0.00 177.93 177.55 1bde h PHE 72 N 0.31 0.00 0.22 5.26 3.57 -0.58 0.81 116.94 126.53 1bde h PHE 72 Ca 0.53 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.71 1bde h PHE 72 Cb 1.02 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.79 1bde h PHE 72 CO -0.20 0.26 -1.42 0.00 -2.23 0.00 0.00 178.31 174.72 1bde h ARG 73 N 0.00 0.47 -0.21 1.11 3.08 0.09 -3.00 114.38 115.92 1bde h ARG 73 Ca -0.00 -0.80 -0.03 0.00 0.07 0.00 0.00 59.98 59.22 1bde h ARG 73 Cb 0.50 0.30 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1bde h ARG 73 CO 0.03 1.38 0.03 0.82 -1.07 0.00 0.00 179.97 181.17 1bde h ILE 74 N 0.13 1.23 0.48 2.04 2.04 0.24 -0.18 117.51 123.48 1bde h ILE 74 Ca -0.22 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1bde h ILE 74 Cb 2.12 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.50 1bde h ILE 74 CO 0.26 0.24 -0.36 1.23 0.00 0.00 0.00 178.15 179.52 1bde h GLY 75 N 0.15 -0.90 0.32 5.37 0.00 -0.93 -1.65 103.07 105.43 1bde h GLY 75 Ca 0.06 0.40 0.11 0.00 0.00 0.00 0.00 47.33 47.91 1bde h GLY 75 CO 0.00 -0.32 0.32 0.00 0.00 0.00 0.00 176.54 176.54 1bde n ARG 77 N -4.94 0.13 -0.02 0.00 1.85 -0.09 -3.55 116.66 110.05 1bde n ARG 77 Ca 0.12 0.34 -0.18 0.00 -1.00 0.00 0.00 57.85 57.14 1bde n ARG 77 Cb 0.34 -1.74 -0.14 0.00 -1.05 0.00 0.00 32.46 29.87 1bde n ARG 77 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1bde h HIS 78 N 0.00 0.25 0.00 2.89 3.86 -0.06 -3.49 115.15 118.60 1bde h HIS 78 Ca 0.00 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1bde h HIS 78 Cb 0.36 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1bde h HIS 78 CO 0.00 1.20 0.00 0.45 0.86 0.00 0.00 177.93 180.44 1bde n SER 79 N -4.35 0.00 -3.77 2.45 2.88 -1.17 -4.99 113.62 104.66 1bde n SER 79 Ca -0.14 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.07 1bde n SER 79 Cb 0.66 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.15 1bde n SER 79 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1bde n ARG 80 N 0.00 -1.45 -1.14 -1.46 3.00 -1.26 -0.70 116.66 113.65 1bde n ARG 80 Ca 0.00 0.40 -0.05 0.00 -0.00 0.00 0.00 57.85 58.20 1bde n ARG 80 Cb 0.00 -3.99 -0.02 0.00 0.00 0.00 0.00 32.46 28.45 1bde n ARG 80 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1bde n ILE 81 N -4.33 0.00 1.49 5.15 5.41 -1.26 -5.12 119.36 120.70 1bde n ILE 81 Ca -0.13 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.76 1bde n ILE 81 Cb 0.60 -0.79 0.52 0.00 -0.71 0.00 0.00 39.64 39.26 1bde n ILE 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16