#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 1.66 0.00 -7.48 0.00 -1.26 -4.92 107.32 95.31 1bde s GLY 51 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1bde s GLY 51 CO 0.00 0.54 0.00 1.34 0.00 0.00 0.00 173.10 174.98 1bde n ASP 52 N 4.70 0.00 -0.32 1.64 2.03 -1.26 -4.81 116.55 118.53 1bde n ASP 52 Ca -0.16 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.31 1bde n ASP 52 Cb 0.47 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.22 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 0.43 -0.21 5.18 1.03 -1.98 0.27 112.91 117.64 1bde h THR 53 Ca 0.00 -0.14 -0.12 0.00 -0.01 0.00 0.00 66.41 66.14 1bde h THR 53 Cb 0.00 -0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 67.08 1bde h THR 53 CO 0.00 0.07 -0.35 4.11 -0.01 0.00 0.00 175.52 179.34 1bde h TRP 54 N 0.40 0.75 -0.61 0.00 5.08 -1.95 0.18 115.95 119.80 1bde h TRP 54 Ca 0.61 -0.26 -0.08 0.00 1.08 0.00 0.00 58.89 60.24 1bde h TRP 54 Cb 1.22 -0.14 -0.02 0.00 -3.00 0.00 0.00 29.16 27.21 1bde h TRP 54 CO -0.10 1.00 0.08 0.00 -1.28 0.00 0.00 178.44 178.15 1bde h ALA 55 N 0.61 0.81 -0.27 0.11 0.00 -1.61 0.24 119.26 119.16 1bde h ALA 55 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1bde h ALA 55 Cb 0.94 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1bde h ALA 55 CO 0.08 0.58 0.17 0.78 0.00 0.00 0.00 179.25 180.87 1bde h GLY 56 N 0.93 0.38 1.65 0.00 0.00 -0.36 0.48 103.07 106.14 1bde h GLY 56 Ca 0.18 -0.15 -0.16 0.00 0.00 0.00 0.00 47.33 47.21 1bde h GLY 56 CO 0.02 0.14 -0.62 -0.24 0.00 0.00 0.00 176.54 175.83 1bde h VAL 57 N 0.35 1.37 0.00 4.60 3.04 -0.37 0.19 116.25 125.43 1bde h VAL 57 Ca 0.10 -1.98 -0.07 0.00 -1.01 0.00 0.00 66.70 63.74 1bde h VAL 57 Cb -0.03 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1bde h VAL 57 CO -0.02 0.59 -0.31 -0.08 -1.01 0.00 0.00 177.57 176.74 1bde h GLU 58 N 0.26 0.00 0.15 4.17 4.22 -0.07 0.43 114.58 123.73 1bde h GLU 58 Ca -0.01 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.23 1bde h GLU 58 Cb 1.16 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.43 1bde h GLU 58 CO 0.10 0.31 -0.92 0.00 -2.18 0.00 0.00 179.01 176.33 1bde h ALA 59 N 1.69 -0.07 0.00 2.92 0.00 0.39 -2.52 119.26 121.66 1bde h ALA 59 Ca -0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 54.91 54.03 1bde h ALA 59 Cb 0.68 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1bde h ALA 59 CO 0.04 0.44 -0.64 -0.84 0.00 0.00 0.00 179.25 178.25 1bde h ILE 60 N -0.33 1.40 0.00 0.00 3.07 -0.40 -1.54 117.51 119.70 1bde h ILE 60 Ca -0.17 -2.25 -0.02 0.00 1.55 0.00 0.00 64.86 63.97 1bde h ILE 60 Cb 1.69 2.24 -0.00 0.00 -0.27 0.00 0.00 36.82 40.47 1bde h ILE 60 CO 0.15 0.63 -0.11 0.40 -1.05 0.00 0.00 178.15 178.17 1bde h ILE 61 N 0.00 0.49 0.00 0.16 2.04 -0.17 -2.20 117.51 117.83 1bde h ILE 61 Ca -0.01 -0.54 -0.10 0.00 1.00 0.00 0.00 64.86 65.21 1bde h ILE 61 Cb 1.18 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1bde h ILE 61 CO 0.08 0.11 -0.49 -0.09 0.00 0.00 0.00 178.15 177.76 1bde h ARG 62 N 0.00 0.00 0.00 2.37 9.65 -0.81 -1.30 114.38 124.29 1bde h ARG 62 Ca -0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 1bde h ARG 62 Cb 0.36 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1bde h ARG 62 CO 0.01 0.49 -1.96 0.44 2.80 0.00 0.00 179.97 181.75 1bde n ILE 63 N -3.90 0.22 -0.05 1.20 -6.64 -1.07 -3.87 119.36 105.25 1bde n ILE 63 Ca -0.01 -0.51 -0.14 0.00 -1.77 0.00 0.00 62.75 60.32 1bde n ILE 63 Cb 0.52 -0.05 -0.12 0.00 -1.44 0.00 0.00 39.64 38.54 1bde n ILE 63 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 1bde h LEU 64 N 0.00 0.02 -0.59 7.28 5.85 -1.41 0.13 115.31 126.60 1bde h LEU 64 Ca -0.09 -0.85 -0.15 0.00 0.84 0.00 0.00 57.88 57.63 1bde h LEU 64 Cb 1.12 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1bde h LEU 64 CO 0.00 0.87 -0.47 1.56 -0.34 0.00 0.00 178.44 180.06 1bde h GLN 65 N -0.83 0.58 0.13 1.25 7.50 -1.46 0.22 115.11 122.50 1bde h GLN 65 Ca -0.00 -0.33 -0.01 0.00 0.50 0.00 0.00 58.65 58.81 1bde h GLN 65 Cb 0.87 0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.43 1bde h GLN 65 CO 0.01 0.93 -0.06 1.96 -1.50 0.00 0.00 178.83 180.16 1bde h GLN 66 N 0.47 -0.16 0.00 1.46 7.50 -1.67 -0.09 115.11 122.61 1bde h GLN 66 Ca 0.03 0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.11 1bde h GLN 66 Cb 0.99 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.55 1bde h GLN 66 CO 0.09 0.16 -0.36 1.37 -1.50 0.00 0.00 178.83 178.59 1bde h LEU 67 N -0.50 0.00 -1.44 1.46 8.10 -0.64 0.12 115.31 122.41 1bde h LEU 67 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1bde h LEU 67 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.62 1bde h LEU 67 CO 0.03 0.36 0.00 0.25 -4.11 0.00 0.00 178.44 174.97 1bde h LEU 68 N 0.00 0.00 0.00 0.17 5.85 -0.37 0.11 115.31 121.07 1bde h LEU 68 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1bde h LEU 68 Cb 0.68 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1bde h LEU 68 CO 0.05 0.00 -0.21 0.15 -0.34 0.00 0.00 178.44 178.09 1bde h PHE 69 N 0.00 0.00 -0.87 1.25 3.57 0.11 -3.30 116.94 117.69 1bde h PHE 69 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1bde h PHE 69 Cb 0.51 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.17 1bde h PHE 69 CO 0.00 1.04 0.50 0.82 -2.23 0.00 0.00 178.31 178.44 1bde h ILE 70 N -1.00 0.87 -0.81 1.41 2.04 -0.68 -0.40 117.51 118.95 1bde h ILE 70 Ca -0.06 -0.27 0.19 0.00 1.00 0.00 0.00 64.86 65.72 1bde h ILE 70 Cb 1.01 -0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.97 1bde h ILE 70 CO -0.03 0.15 0.24 -0.74 0.00 0.00 0.00 178.15 177.77 1bde h HIS 71 N 0.80 0.39 0.00 1.37 -0.00 -0.87 0.41 115.15 117.25 1bde h HIS 71 Ca 0.44 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.84 1bde h HIS 71 Cb 0.47 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.83 1bde h HIS 71 CO -0.05 -0.09 -0.06 0.35 -0.00 0.00 0.00 177.93 178.07 1bde h PHE 72 N 0.30 0.00 0.08 5.26 3.04 -1.15 0.23 116.94 124.71 1bde h PHE 72 Ca 0.47 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 62.20 1bde h PHE 72 Cb 0.86 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 1bde h PHE 72 CO -0.23 0.06 -1.17 0.00 -2.02 0.00 0.00 178.31 174.96 1bde h ARG 73 N 0.00 0.17 -0.35 1.11 3.08 -0.31 -3.11 114.38 114.97 1bde h ARG 73 Ca -0.00 -0.30 0.05 0.00 0.07 0.00 0.00 59.98 59.81 1bde h ARG 73 Cb 0.23 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1bde h ARG 73 CO 0.01 1.14 0.07 0.82 -1.07 0.00 0.00 179.97 180.94 1bde h ILE 74 N -0.52 0.82 0.46 2.04 2.04 0.28 0.12 117.51 122.75 1bde h ILE 74 Ca -0.26 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1bde h ILE 74 Cb 1.58 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1bde h ILE 74 CO 0.01 0.03 -0.35 1.23 0.00 0.00 0.00 178.15 179.08 1bde h GLY 75 N 0.18 -1.05 0.57 5.37 0.00 -0.67 0.40 103.07 107.87 1bde h GLY 75 Ca 0.17 0.46 0.09 0.00 0.00 0.00 0.00 47.33 48.05 1bde h GLY 75 CO -0.22 -0.35 0.56 0.00 0.00 0.00 0.00 176.54 176.53 1bde h ARG 77 N 0.94 0.00 0.23 0.00 -0.00 -0.60 -3.28 114.38 111.67 1bde h ARG 77 Ca 0.43 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.90 1bde h ARG 77 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.31 1bde h ARG 77 CO -0.23 0.38 -0.11 1.25 0.00 0.00 0.00 179.97 181.26 1bde h HIS 78 N 0.00 -0.28 0.00 3.04 2.76 0.22 -3.48 115.15 117.40 1bde h HIS 78 Ca -0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1bde h HIS 78 Cb 0.85 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.90 1bde h HIS 78 CO 0.00 -0.18 0.00 0.45 -1.30 0.00 0.00 177.93 176.90 1bde n SER 79 N -4.16 0.00 -0.74 3.26 2.88 -0.22 -5.05 113.62 109.59 1bde n SER 79 Ca -0.04 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.53 1bde n SER 79 Cb 0.12 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.78 1bde n SER 79 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1bde n ARG 80 N 0.00 1.72 -2.72 -1.46 5.12 -1.26 -4.87 116.66 113.20 1bde n ARG 80 Ca 0.00 -3.14 -0.43 0.00 -1.93 0.00 0.00 57.85 52.35 1bde n ARG 80 Cb 0.00 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 29.61 1bde n ARG 80 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1bde n ILE 81 N -1.12 4.20 -0.86 0.55 -0.00 -1.26 -5.09 119.36 115.79 1bde n ILE 81 Ca 0.24 -4.51 0.00 0.00 -0.00 0.00 0.00 62.75 58.48 1bde n ILE 81 Cb 0.82 -2.43 0.00 0.00 -0.00 0.00 0.00 39.64 38.02 1bde n ILE 81 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16