#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bde s GLY 51 N 0.00 1.18 0.13 2.72 0.00 -1.26 -4.72 107.32 105.36 1bde s GLY 51 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 44.72 45.47 1bde s GLY 51 CO 0.00 3.24 0.63 2.09 0.00 0.00 0.00 173.10 179.05 1bde n ASP 52 N 8.68 -0.04 0.18 1.64 5.75 -1.26 0.39 116.55 131.89 1bde n ASP 52 Ca 0.21 0.68 -0.10 0.00 -0.01 0.00 0.00 54.79 55.56 1bde n ASP 52 Cb 0.44 -0.25 -0.06 0.00 -1.03 0.00 0.00 41.12 40.23 1bde n ASP 52 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1bde h THR 53 N 0.00 0.24 0.58 2.12 1.35 -1.96 0.10 112.91 115.34 1bde h THR 53 Ca 0.25 -0.67 -0.03 0.00 -0.55 0.00 0.00 66.41 65.41 1bde h THR 53 Cb 0.51 0.39 0.01 0.00 -1.73 0.00 0.00 68.15 67.33 1bde h THR 53 CO -0.37 0.06 -0.28 -0.50 -0.25 0.00 0.00 175.52 174.17 1bde h TRP 54 N -1.06 -0.73 -0.84 4.73 4.06 -1.36 0.17 115.95 120.92 1bde h TRP 54 Ca -0.05 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 1bde h TRP 54 Cb 0.49 0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.85 1bde h TRP 54 CO 0.02 -0.40 0.43 0.00 -3.56 0.00 0.00 178.44 174.93 1bde h ALA 55 N -0.61 1.07 -0.57 1.49 0.00 -0.22 0.60 119.26 121.02 1bde h ALA 55 Ca -0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1bde h ALA 55 Cb 0.65 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1bde h ALA 55 CO 0.13 0.61 0.19 0.78 0.00 0.00 0.00 179.25 180.97 1bde h GLY 56 N 1.18 0.94 1.85 0.00 0.00 -0.68 -1.01 103.07 105.34 1bde h GLY 56 Ca 0.29 -0.54 -0.21 0.00 0.00 0.00 0.00 47.33 46.88 1bde h GLY 56 CO -0.04 0.51 -0.94 -2.08 0.00 0.00 0.00 176.54 173.99 1bde h VAL 57 N 0.79 1.56 0.00 4.60 2.07 -0.22 -2.30 116.25 122.75 1bde h VAL 57 Ca 0.19 -2.87 -0.02 0.00 0.82 0.00 0.00 66.70 64.81 1bde h VAL 57 Cb 0.26 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1bde h VAL 57 CO -0.01 0.83 -0.10 -0.33 0.02 0.00 0.00 177.57 177.98 1bde h GLU 58 N 0.06 0.00 0.20 1.57 4.39 0.37 0.27 114.58 121.44 1bde h GLU 58 Ca -0.04 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.32 1bde h GLU 58 Cb 1.61 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.28 1bde h GLU 58 CO 0.14 0.10 -1.59 0.00 -1.16 0.00 0.00 179.01 176.50 1bde h ALA 59 N 1.90 0.06 0.07 3.43 0.00 -1.06 -3.18 119.26 120.48 1bde h ALA 59 Ca -0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 54.91 53.64 1bde h ALA 59 Cb 0.67 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1bde h ALA 59 CO 0.01 0.92 -1.14 -0.84 0.00 0.00 0.00 179.25 178.21 1bde h ILE 60 N 0.11 1.59 -0.23 0.00 3.07 -1.18 -2.95 117.51 117.92 1bde h ILE 60 Ca -0.28 -3.20 0.07 0.00 1.55 0.00 0.00 64.86 63.00 1bde h ILE 60 Cb 2.11 2.89 -0.01 0.00 -0.27 0.00 0.00 36.82 41.54 1bde h ILE 60 CO 0.21 0.92 0.19 0.40 -1.05 0.00 0.00 178.15 178.83 1bde h ILE 61 N 0.05 0.69 0.08 0.16 2.04 -0.56 -0.92 117.51 119.06 1bde h ILE 61 Ca -0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1bde h ILE 61 Cb 1.88 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1bde h ILE 61 CO 0.17 0.00 -0.04 0.03 0.00 0.00 0.00 178.15 178.31 1bde h ARG 62 N 0.00 -0.10 -0.00 2.37 3.08 -1.50 -2.12 114.38 116.11 1bde h ARG 62 Ca 0.11 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 1bde h ARG 62 Cb 0.49 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1bde h ARG 62 CO -0.00 0.37 -0.64 -0.84 -1.07 0.00 0.00 179.97 177.79 1bde h ILE 63 N -0.64 1.46 -0.17 2.04 -0.00 -1.55 -1.04 117.51 117.61 1bde h ILE 63 Ca -0.01 -2.19 -0.12 0.00 -0.00 0.00 0.00 64.86 62.54 1bde h ILE 63 Cb 0.52 2.18 -0.01 0.00 -0.00 0.00 0.00 36.82 39.51 1bde h ILE 63 CO 0.02 0.63 -0.41 0.25 -0.00 0.00 0.00 178.15 178.63 1bde h LEU 64 N 0.00 0.42 0.10 0.16 5.85 -1.23 0.31 115.31 120.92 1bde h LEU 64 Ca -0.01 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1bde h LEU 64 Cb 1.13 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1bde h LEU 64 CO 0.08 0.79 -0.05 1.56 -0.34 0.00 0.00 178.44 180.48 1bde h GLN 65 N 0.33 -0.13 -1.00 1.25 7.50 -1.20 0.17 115.11 122.03 1bde h GLN 65 Ca 0.03 0.01 0.21 0.00 0.50 0.00 0.00 58.65 59.40 1bde h GLN 65 Cb 0.87 0.03 -0.11 0.00 0.05 0.00 0.00 27.48 28.32 1bde h GLN 65 CO 0.07 0.37 0.61 1.96 -1.50 0.00 0.00 178.83 180.34 1bde h GLN 66 N -0.88 0.67 0.00 1.46 4.20 -1.07 0.62 115.11 120.11 1bde h GLN 66 Ca -0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1bde h GLN 66 Cb 0.56 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1bde h GLN 66 CO 0.02 0.44 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.12 1bde h LEU 67 N 0.69 0.00 -0.12 1.46 3.38 -0.39 -2.61 115.31 117.72 1bde h LEU 67 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1bde h LEU 67 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1bde h LEU 67 CO -0.41 0.09 -0.17 -0.11 0.09 0.00 0.00 178.44 177.93 1bde n LEU 68 N -2.98 0.35 0.04 1.67 7.94 0.16 -3.44 117.00 120.75 1bde n LEU 68 Ca 0.02 0.14 -0.19 0.00 -1.11 0.00 0.00 56.01 54.87 1bde n LEU 68 Cb 0.58 -0.28 -0.14 0.00 0.53 0.00 0.00 43.42 44.10 1bde n LEU 68 CO 0.37 0.07 -0.54 -0.26 -1.11 0.00 0.00 177.39 175.92 1bde h PHE 69 N 0.28 0.47 -1.00 1.96 0.04 0.28 -3.36 116.94 115.62 1bde h PHE 69 Ca 0.00 -0.34 0.22 0.00 2.80 0.00 0.00 57.97 60.65 1bde h PHE 69 Cb 0.43 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.46 1bde h PHE 69 CO 0.00 1.52 0.63 -0.84 -0.60 0.00 0.00 178.31 179.02 1bde h ILE 70 N 0.07 0.63 -0.33 -0.55 3.07 -1.54 0.27 117.51 119.13 1bde h ILE 70 Ca -0.33 -0.19 0.10 0.00 1.55 0.00 0.00 64.86 65.99 1bde h ILE 70 Cb 2.04 0.02 -0.01 0.00 -0.27 0.00 0.00 36.82 38.60 1bde h ILE 70 CO 0.13 0.10 0.32 1.12 -1.05 0.00 0.00 178.15 178.77 1bde h HIS 71 N 0.55 0.00 0.00 0.16 2.07 -1.74 0.82 115.15 117.01 1bde h HIS 71 Ca 0.57 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.09 1bde h HIS 71 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1bde h HIS 71 CO -0.00 0.00 -0.41 0.35 -3.07 0.00 0.00 177.93 174.79 1bde h PHE 72 N 0.00 0.00 0.00 6.12 3.04 -0.70 0.14 116.94 125.54 1bde h PHE 72 Ca 0.16 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1bde h PHE 72 Cb 0.79 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.30 1bde h PHE 72 CO 0.00 0.00 -1.44 0.54 -2.02 0.00 0.00 178.31 175.39 1bde n ARG 73 N -2.59 0.36 -0.11 1.11 1.74 0.17 -3.58 116.66 113.77 1bde n ARG 73 Ca 0.03 -0.08 -0.18 0.00 -0.77 0.00 0.00 57.85 56.85 1bde n ARG 73 Cb 0.49 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 30.33 1bde n ARG 73 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1bde n ILE 74 N -1.96 1.50 0.18 0.55 5.41 0.23 -4.11 119.36 121.16 1bde n ILE 74 Ca -0.00 -0.06 -0.07 0.00 1.00 0.00 0.00 62.75 63.62 1bde n ILE 74 Cb 0.46 -2.13 -0.03 0.00 -0.71 0.00 0.00 39.64 37.22 1bde n ILE 74 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1bde h GLY 75 N -1.00 -0.50 0.02 7.39 0.00 -0.91 0.20 103.07 108.27 1bde h GLY 75 Ca -0.31 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1bde h GLY 75 CO -0.19 -0.18 0.00 0.00 0.00 0.00 0.00 176.54 176.17 1bde n ARG 77 N -0.51 0.00 0.07 0.00 3.00 -1.15 -4.58 116.66 113.49 1bde n ARG 77 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1bde n ARG 77 Cb 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 32.46 31.66 1bde n ARG 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1bde h HIS 78 N 0.00 0.25 -0.23 -0.14 2.76 -0.05 -3.39 115.15 114.35 1bde h HIS 78 Ca 0.00 -0.18 -0.20 0.00 -2.20 0.00 0.00 60.37 57.79 1bde h HIS 78 Cb 0.60 -0.01 -0.25 0.00 1.55 0.00 0.00 27.41 29.30 1bde h HIS 78 CO 0.00 1.17 -0.79 0.45 -1.30 0.00 0.00 177.93 177.46 1bde n SER 79 N -3.40 2.26 -1.59 3.26 2.88 -0.01 -4.87 113.62 112.16 1bde n SER 79 Ca -0.08 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.30 1bde n SER 79 Cb 1.00 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.57 0.74 -1.36 -1.46 0.00 -1.25 -4.62 116.66 108.13 1bde n ARG 80 Ca 0.20 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.68 1bde n ARG 80 Cb 0.88 -1.13 -0.04 0.00 0.00 0.00 0.00 32.46 32.17 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 1.56 4.31 -1.54 5.15 2.08 -1.26 -5.08 119.36 124.59 1bde n ILE 81 Ca 0.00 -2.69 0.00 0.00 0.56 0.00 0.00 62.75 60.62 1bde n ILE 81 Cb 0.37 -2.49 0.00 0.00 -0.75 0.00 0.00 39.64 36.76 1bde n ILE 81 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72