#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 4.44 0.00 -7.48 0.00 -1.26 -4.91 105.19 95.97 1bde n GLY 51 Ca 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.42 1bde n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bde n ASP 52 N 1.14 0.00 -0.45 1.61 5.75 -1.26 -4.48 116.55 118.87 1bde n ASP 52 Ca 0.27 0.00 0.37 0.00 -0.01 0.00 0.00 54.79 55.42 1bde n ASP 52 Cb 0.41 0.00 0.65 0.00 -1.03 0.00 0.00 41.12 41.15 1bde n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bde h THR 53 N 0.00 0.12 -0.01 2.12 1.03 -1.98 0.43 112.91 114.63 1bde h THR 53 Ca 0.00 -0.03 -0.26 0.00 -0.01 0.00 0.00 66.41 66.11 1bde h THR 53 Cb 0.00 0.03 0.02 0.00 -1.07 0.00 0.00 68.15 67.13 1bde h THR 53 CO 0.00 0.02 -1.01 4.11 -0.01 0.00 0.00 175.52 178.63 1bde h TRP 54 N 0.09 0.95 -0.62 0.00 5.08 -1.94 0.16 115.95 119.66 1bde h TRP 54 Ca 0.82 -0.51 -0.08 0.00 1.08 0.00 0.00 58.89 60.20 1bde h TRP 54 Cb 2.58 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 28.61 1bde h TRP 54 CO -0.01 1.34 0.07 0.00 -1.28 0.00 0.00 178.44 178.56 1bde h ALA 55 N 0.49 0.94 -0.11 0.11 0.00 -0.50 0.29 119.26 120.48 1bde h ALA 55 Ca -0.12 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1bde h ALA 55 Cb 1.66 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1bde h ALA 55 CO 0.19 0.65 -0.37 0.78 0.00 0.00 0.00 179.25 180.51 1bde h GLY 56 N 1.03 0.49 1.79 0.00 0.00 -0.82 -2.15 103.07 103.40 1bde h GLY 56 Ca 0.19 -0.64 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1bde h GLY 56 CO 0.02 0.57 -0.52 -0.24 0.00 0.00 0.00 176.54 176.37 1bde h VAL 57 N 0.02 1.36 0.00 4.60 3.04 -0.56 0.62 116.25 125.32 1bde h VAL 57 Ca -0.01 -1.79 -0.02 0.00 -1.01 0.00 0.00 66.70 63.86 1bde h VAL 57 Cb 0.99 1.88 -0.00 0.00 -2.01 0.00 0.00 31.29 32.14 1bde h VAL 57 CO 0.08 0.53 -0.09 -0.08 -1.01 0.00 0.00 177.57 177.00 1bde h GLU 58 N 0.18 0.00 0.20 4.17 4.57 -0.43 0.30 114.58 123.57 1bde h GLU 58 Ca 0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 1bde h GLU 58 Cb 0.98 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.59 1bde h GLU 58 CO 0.08 0.09 -1.67 0.00 -1.18 0.00 0.00 179.01 176.33 1bde h ALA 59 N 1.91 0.08 0.01 2.92 0.00 -0.71 -2.64 119.26 120.83 1bde h ALA 59 Ca -0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 54.91 53.63 1bde h ALA 59 Cb 0.69 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1bde h ALA 59 CO 0.01 0.93 -0.92 -0.84 0.00 0.00 0.00 179.25 178.43 1bde h ILE 60 N 0.09 1.50 -0.82 0.00 3.07 -0.70 -2.63 117.51 118.03 1bde h ILE 60 Ca -0.32 -2.69 0.04 0.00 1.55 0.00 0.00 64.86 63.44 1bde h ILE 60 Cb 2.10 2.52 -0.05 0.00 -0.27 0.00 0.00 36.82 41.12 1bde h ILE 60 CO 0.20 0.78 0.54 0.40 -1.05 0.00 0.00 178.15 179.02 1bde h ILE 61 N 0.11 1.11 -0.16 0.16 2.04 -0.47 -0.15 117.51 120.14 1bde h ILE 61 Ca -0.05 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1bde h ILE 61 Cb 1.56 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1bde h ILE 61 CO 0.14 0.18 0.23 -0.09 0.00 0.00 0.00 178.15 178.61 1bde h ARG 62 N 0.98 0.00 -0.01 2.37 2.43 -1.07 0.48 114.38 119.56 1bde h ARG 62 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1bde h ARG 62 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1bde h ARG 62 CO -0.10 0.00 -0.58 -0.89 -1.51 0.00 0.00 179.97 176.89 1bde n ILE 63 N -3.55 0.00 -0.13 1.20 2.08 -0.09 -3.31 119.36 115.56 1bde n ILE 63 Ca 0.01 -0.09 -0.24 0.00 0.56 0.00 0.00 62.75 62.99 1bde n ILE 63 Cb 0.34 0.73 -0.11 0.00 -0.75 0.00 0.00 39.64 39.85 1bde n ILE 63 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bde n LEU 64 N -0.96 2.42 0.20 1.39 -0.00 0.13 -3.48 117.00 116.70 1bde n LEU 64 Ca 0.08 0.12 0.05 0.00 -0.00 0.00 0.00 56.01 56.26 1bde n LEU 64 Cb 0.37 -0.85 0.41 0.00 -0.00 0.00 0.00 43.42 43.35 1bde n LEU 64 CO 0.34 0.74 0.75 0.06 -0.00 0.00 0.00 177.39 179.27 1bde h GLN 65 N -0.53 0.00 0.64 1.47 -0.00 -0.68 0.22 115.11 116.23 1bde h GLN 65 Ca -0.64 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 57.98 1bde h GLN 65 Cb 1.74 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 29.22 1bde h GLN 65 CO -0.27 0.34 -0.31 1.96 -0.00 0.00 0.00 178.83 180.55 1bde h GLN 66 N 0.00 -0.83 -0.19 0.06 4.20 -1.73 -1.11 115.11 115.52 1bde h GLN 66 Ca -0.00 0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1bde h GLN 66 Cb 0.70 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1bde h GLN 66 CO 0.04 -0.55 0.02 -0.07 -0.67 0.00 0.00 178.83 177.60 1bde h LEU 67 N -1.09 0.24 -0.63 1.46 3.38 -1.56 0.41 115.31 117.52 1bde h LEU 67 Ca -0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1bde h LEU 67 Cb 0.66 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1bde h LEU 67 CO 0.14 0.27 0.00 -0.11 0.09 0.00 0.00 178.44 178.84 1bde n LEU 68 N -4.40 0.64 -0.07 1.67 7.94 0.78 -1.02 117.00 122.54 1bde n LEU 68 Ca -0.00 0.65 -0.22 0.00 -1.11 0.00 0.00 56.01 55.33 1bde n LEU 68 Cb 0.16 -0.56 -0.12 0.00 0.53 0.00 0.00 43.42 43.43 1bde n LEU 68 CO 0.36 -0.53 -0.72 0.33 -1.11 0.00 0.00 177.39 175.72 1bde n PHE 69 N -2.20 1.01 -0.23 1.96 7.35 0.12 -4.11 117.46 121.36 1bde n PHE 69 Ca 0.02 0.33 0.05 0.00 -0.76 0.00 0.00 57.45 57.09 1bde n PHE 69 Cb 0.23 -1.12 0.30 0.00 0.35 0.00 0.00 39.48 39.25 1bde n PHE 69 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1bde h ILE 70 N -0.56 1.06 -0.02 -2.13 1.08 -0.29 0.14 117.51 116.79 1bde h ILE 70 Ca -0.41 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1bde h ILE 70 Cb 1.62 0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1bde h ILE 70 CO -0.11 0.16 0.21 1.12 -0.69 0.00 0.00 178.15 178.84 1bde h HIS 71 N 0.88 0.00 0.00 1.37 2.07 -1.23 0.73 115.15 118.97 1bde h HIS 71 Ca 0.33 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.75 1bde h HIS 71 Cb 0.19 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.16 1bde h HIS 71 CO -0.00 0.00 -0.88 0.35 -3.07 0.00 0.00 177.93 174.33 1bde h PHE 72 N 0.00 0.00 0.00 6.12 3.04 -0.91 0.16 116.94 125.35 1bde h PHE 72 Ca 0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1bde h PHE 72 Cb 0.42 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.93 1bde h PHE 72 CO 0.00 0.43 -0.89 0.54 -2.02 0.00 0.00 178.31 176.36 1bde n ARG 73 N -3.02 0.45 -0.08 1.11 1.74 0.20 -3.22 116.66 113.85 1bde n ARG 73 Ca -0.03 0.09 -0.06 0.00 -0.77 0.00 0.00 57.85 57.08 1bde n ARG 73 Cb 0.74 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.37 1.43 0.28 0.55 5.41 0.16 -4.01 119.36 120.81 1bde n ILE 74 Ca 0.01 0.19 -0.14 0.00 1.00 0.00 0.00 62.75 63.81 1bde n ILE 74 Cb 0.50 -2.36 -0.08 0.00 -0.71 0.00 0.00 39.64 36.99 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 -0.76 1.14 7.39 0.00 -0.85 0.60 103.07 109.60 1bde h GLY 75 Ca -0.03 0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.66 1bde h GLY 75 CO -0.02 -0.27 0.38 0.00 0.00 0.00 0.00 176.54 176.62 1bde h ARG 77 N 0.43 0.35 -0.69 0.00 9.65 -1.68 -3.33 114.38 119.11 1bde h ARG 77 Ca 0.25 -0.60 0.05 0.00 -1.10 0.00 0.00 59.98 58.57 1bde h ARG 77 Cb 0.44 0.23 -0.05 0.00 -1.39 0.00 0.00 29.97 29.20 1bde h ARG 77 CO -0.07 1.25 0.41 1.25 2.80 0.00 0.00 179.97 185.62 1bde h HIS 78 N 0.10 0.77 0.00 2.20 2.76 0.14 -3.45 115.15 117.65 1bde h HIS 78 Ca -0.27 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 1bde h HIS 78 Cb 2.07 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 30.79 1bde h HIS 78 CO 0.09 0.40 0.00 -1.13 -1.30 0.00 0.00 177.93 175.99 1bde n SER 79 N -4.72 0.00 -0.28 3.26 3.41 0.06 -4.99 113.62 110.36 1bde n SER 79 Ca 0.08 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.89 1bde n SER 79 Cb 0.13 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.58 1bde n SER 79 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bde h ARG 80 N 0.00 0.42 -0.96 4.33 2.43 -1.06 0.36 114.38 119.90 1bde h ARG 80 Ca 0.00 -0.03 -0.59 0.00 -0.81 0.00 0.00 59.98 58.55 1bde h ARG 80 Cb 0.00 -0.09 -0.39 0.00 -0.42 0.00 0.00 29.97 29.07 1bde h ARG 80 CO 0.00 0.28 -0.34 0.44 -1.51 0.00 0.00 179.97 178.83 1bde n ILE 81 N -4.56 2.80 -0.97 1.20 -5.35 -1.25 -5.00 119.36 106.24 1bde n ILE 81 Ca 0.22 -4.03 0.00 0.00 -0.27 0.00 0.00 62.75 58.66 1bde n ILE 81 Cb 0.75 -1.17 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 1bde n ILE 81 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40