#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 -1.15 0.00 2.72 0.00 -1.26 -4.99 105.19 100.51 1bde n GLY 51 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1bde n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bde n ASP 52 N 0.00 0.00 -0.24 1.61 2.03 -1.26 -4.67 116.55 114.02 1bde n ASP 52 Ca 0.00 0.00 0.25 0.00 0.52 0.00 0.00 54.79 55.56 1bde n ASP 52 Cb 0.00 0.00 0.61 0.00 -0.72 0.00 0.00 41.12 41.01 1bde n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bde h THR 53 N 0.00 0.58 -0.35 5.18 1.03 -2.01 0.27 112.91 117.61 1bde h THR 53 Ca 0.00 -0.07 -0.11 0.00 -0.01 0.00 0.00 66.41 66.22 1bde h THR 53 Cb 0.00 0.34 -0.01 0.00 -1.07 0.00 0.00 68.15 67.41 1bde h THR 53 CO 0.00 0.04 -0.23 -0.50 -0.01 0.00 0.00 175.52 174.82 1bde h TRP 54 N 0.22 0.77 -0.37 0.00 4.06 -1.96 0.45 115.95 119.11 1bde h TRP 54 Ca 0.48 -0.17 -0.10 0.00 2.06 0.00 0.00 58.89 61.16 1bde h TRP 54 Cb 1.52 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 29.48 1bde h TRP 54 CO -0.00 0.85 -0.19 0.00 -3.56 0.00 0.00 178.44 175.54 1bde h ALA 55 N 1.15 0.98 0.09 1.49 0.00 -0.75 0.34 119.26 122.55 1bde h ALA 55 Ca 0.08 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 1bde h ALA 55 Cb 0.71 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.37 1bde h ALA 55 CO 0.05 0.60 -0.91 0.78 0.00 0.00 0.00 179.25 179.77 1bde h GLY 56 N 0.98 0.53 1.58 0.00 0.00 -0.88 -3.28 103.07 102.00 1bde h GLY 56 Ca 0.09 -1.09 -0.26 0.00 0.00 0.00 0.00 47.33 46.08 1bde h GLY 56 CO 0.05 0.96 -1.12 -2.08 0.00 0.00 0.00 176.54 174.34 1bde h VAL 57 N -0.03 1.45 -0.13 4.60 2.07 -0.06 -2.71 116.25 121.44 1bde h VAL 57 Ca -0.14 -2.78 -0.05 0.00 0.82 0.00 0.00 66.70 64.55 1bde h VAL 57 Cb 1.64 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 34.12 1bde h VAL 57 CO 0.18 0.82 -0.14 -0.08 0.02 0.00 0.00 177.57 178.36 1bde h GLU 58 N 0.14 0.21 -0.33 1.57 4.81 -0.47 0.36 114.58 120.88 1bde h GLU 58 Ca -0.12 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 58.91 1bde h GLU 58 Cb 1.81 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.15 1bde h GLU 58 CO 0.19 0.36 -0.41 0.00 -0.73 0.00 0.00 179.01 178.42 1bde h ALA 59 N 1.66 0.65 0.04 2.92 0.00 -1.61 0.38 119.26 123.31 1bde h ALA 59 Ca 0.04 -0.46 -0.26 0.00 0.00 0.00 0.00 54.91 54.23 1bde h ALA 59 Cb 0.38 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1bde h ALA 59 CO 0.02 0.67 -1.35 -0.84 0.00 0.00 0.00 179.25 177.76 1bde h ILE 60 N 0.66 1.32 0.00 0.00 3.07 -1.03 -3.23 117.51 118.29 1bde h ILE 60 Ca 0.05 -3.04 -0.13 0.00 1.55 0.00 0.00 64.86 63.29 1bde h ILE 60 Cb 0.98 2.71 -0.02 0.00 -0.27 0.00 0.00 36.82 40.22 1bde h ILE 60 CO 0.09 0.80 -0.60 0.40 -1.05 0.00 0.00 178.15 177.78 1bde h ILE 61 N 0.02 1.30 0.63 0.16 2.04 -0.23 -2.57 117.51 118.86 1bde h ILE 61 Ca -0.15 -2.16 -0.03 0.00 1.00 0.00 0.00 64.86 63.52 1bde h ILE 61 Cb 1.91 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 40.20 1bde h ILE 61 CO 0.13 0.59 -0.34 0.03 0.00 0.00 0.00 178.15 178.56 1bde h ARG 62 N 0.00 -0.86 0.00 2.37 3.08 -0.25 -1.27 114.38 117.46 1bde h ARG 62 Ca -0.01 0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1bde h ARG 62 Cb 1.16 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.39 1bde h ARG 62 CO 0.08 -0.57 -0.55 -0.84 -1.07 0.00 0.00 179.97 177.01 1bde h ILE 63 N -0.89 1.22 -0.09 2.04 -0.00 -1.65 0.14 117.51 118.28 1bde h ILE 63 Ca -0.08 -2.01 -0.12 0.00 -0.00 0.00 0.00 64.86 62.65 1bde h ILE 63 Cb 0.70 2.14 -0.01 0.00 -0.00 0.00 0.00 36.82 39.65 1bde h ILE 63 CO 0.12 0.54 -0.48 0.25 -0.00 0.00 0.00 178.15 178.58 1bde h LEU 64 N 0.00 0.24 0.00 0.16 5.85 -1.37 0.69 115.31 120.88 1bde h LEU 64 Ca -0.01 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 1bde h LEU 64 Cb 1.10 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1bde h LEU 64 CO 0.07 0.69 -0.34 1.56 -0.34 0.00 0.00 178.44 180.08 1bde h GLN 65 N 0.18 0.00 -0.97 1.25 7.50 -1.06 -1.70 115.11 120.30 1bde h GLN 65 Ca 0.01 0.00 0.20 0.00 0.50 0.00 0.00 58.65 59.36 1bde h GLN 65 Cb 0.92 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 28.36 1bde h GLN 65 CO 0.07 0.62 0.62 1.96 -1.50 0.00 0.00 178.83 180.60 1bde h GLN 66 N -1.00 0.58 0.10 1.46 4.20 -0.72 0.66 115.11 120.37 1bde h GLN 66 Ca -0.08 -0.03 -0.30 0.00 0.06 0.00 0.00 58.65 58.30 1bde h GLN 66 Cb 0.75 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1bde h GLN 66 CO -0.05 0.38 -1.52 -0.07 -0.67 0.00 0.00 178.83 176.90 1bde h LEU 67 N 0.59 0.32 -1.97 1.46 3.38 -0.97 -3.09 115.31 115.02 1bde h LEU 67 Ca 0.54 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1bde h LEU 67 Cb 1.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1bde h LEU 67 CO -0.29 1.39 -0.07 0.25 0.09 0.00 0.00 178.44 179.80 1bde h LEU 68 N 0.06 0.00 -1.70 1.67 5.85 -0.06 0.22 115.31 121.35 1bde h LEU 68 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1bde h LEU 68 Cb 2.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.01 1bde h LEU 68 CO 0.15 0.07 0.18 -0.26 -0.34 0.00 0.00 178.44 178.23 1bde h PHE 69 N 0.00 0.36 -0.93 1.25 0.04 0.31 -1.87 116.94 116.11 1bde h PHE 69 Ca -0.00 0.01 0.25 0.00 2.80 0.00 0.00 57.97 61.02 1bde h PHE 69 Cb 0.34 -0.12 -0.13 0.00 2.20 0.00 0.00 35.95 38.23 1bde h PHE 69 CO 0.00 0.24 0.43 0.82 -0.60 0.00 0.00 178.31 179.19 1bde h ILE 70 N 0.38 0.42 -0.99 -0.55 5.03 -1.06 0.45 117.51 121.20 1bde h ILE 70 Ca 0.10 -0.13 0.17 0.00 -0.12 0.00 0.00 64.86 64.88 1bde h ILE 70 Cb -0.02 0.01 -0.09 0.00 -3.03 0.00 0.00 36.82 33.68 1bde h ILE 70 CO -0.02 0.07 0.61 -0.74 -0.68 0.00 0.00 178.15 177.39 1bde h HIS 71 N 0.38 1.02 0.00 1.37 -0.00 -1.50 0.61 115.15 117.02 1bde h HIS 71 Ca 0.60 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.91 1bde h HIS 71 Cb 1.21 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 28.29 1bde h HIS 71 CO -0.12 0.29 -0.47 0.35 -0.00 0.00 0.00 177.93 177.99 1bde h PHE 72 N 0.79 0.00 0.00 5.26 3.57 -0.25 0.20 116.94 126.51 1bde h PHE 72 Ca 0.53 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.93 1bde h PHE 72 Cb 0.80 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1bde h PHE 72 CO -0.00 0.47 -0.72 0.00 -2.23 0.00 0.00 178.31 175.82 1bde h ARG 73 N 0.00 0.00 0.00 1.11 3.08 0.12 -3.23 114.38 115.46 1bde h ARG 73 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1bde h ARG 73 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 1bde h ARG 73 CO 0.06 0.40 -0.04 0.82 -1.07 0.00 0.00 179.97 180.13 1bde h ILE 74 N 0.00 0.25 -1.14 2.04 2.04 0.39 -2.66 117.51 118.44 1bde h ILE 74 Ca -0.04 -1.19 0.32 0.00 1.00 0.00 0.00 64.86 64.95 1bde h ILE 74 Cb 1.39 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 37.86 1bde h ILE 74 CO 0.05 0.09 0.75 1.23 0.00 0.00 0.00 178.15 180.27 1bde h GLY 75 N -1.00 1.04 0.03 5.37 0.00 -0.74 0.34 103.07 108.11 1bde h GLY 75 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1bde h GLY 75 CO -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 176.54 176.34 1bde h ARG 77 N -0.33 0.15 -0.03 0.00 -0.00 -1.10 0.42 114.38 113.49 1bde h ARG 77 Ca -0.00 -0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.48 1bde h ARG 77 Cb 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 29.97 29.93 1bde h ARG 77 CO 0.01 0.10 -0.36 1.25 0.00 0.00 0.00 179.97 180.96 1bde h HIS 78 N 0.16 -1.07 0.00 3.04 2.76 -0.53 -3.42 115.15 116.09 1bde h HIS 78 Ca 0.27 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.40 1bde h HIS 78 Cb 0.40 0.47 -0.07 0.00 1.55 0.00 0.00 27.41 29.76 1bde h HIS 78 CO -0.29 -0.38 -0.10 -1.13 -1.30 0.00 0.00 177.93 174.73 1bde n SER 79 N -4.49 -0.67 -3.35 3.26 3.41 -1.14 -5.03 113.62 105.60 1bde n SER 79 Ca -0.05 -1.54 -0.16 0.00 -0.26 0.00 0.00 58.87 56.86 1bde n SER 79 Cb 0.26 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1bde n SER 79 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1bde n ARG 80 N -0.64 -0.85 -0.34 4.33 0.00 0.12 -4.94 116.66 114.35 1bde n ARG 80 Ca -0.08 0.34 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 1bde n ARG 80 Cb 0.66 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.89 1bde n ARG 80 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1bde n ILE 81 N -1.96 0.00 -0.13 5.15 -6.64 -0.36 -4.98 119.36 110.44 1bde n ILE 81 Ca -0.17 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.81 1bde n ILE 81 Cb 0.39 -1.21 0.00 0.00 -1.44 0.00 0.00 39.64 37.38 1bde n ILE 81 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39