#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 2.72 0.39 2.98 0.00 -1.26 -4.71 105.19 105.32 1bde n GLY 51 Ca 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 1bde n GLY 51 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bde h ASP 52 N 4.34 -1.92 -0.26 1.61 5.19 -2.06 0.31 116.42 123.62 1bde h ASP 52 Ca 0.26 0.29 0.07 0.00 -0.62 0.00 0.00 57.03 57.03 1bde h ASP 52 Cb 0.87 0.84 -0.01 0.00 0.18 0.00 0.00 39.33 41.21 1bde h ASP 52 CO 0.63 -0.24 0.19 0.74 -3.12 0.00 0.00 179.24 177.43 1bde h THR 53 N -0.08 0.88 0.25 0.35 2.02 -1.99 -1.36 112.91 112.98 1bde h THR 53 Ca 0.13 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1bde h THR 53 Cb 0.41 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1bde h THR 53 CO -0.79 0.00 -0.12 -0.50 0.37 0.00 0.00 175.52 174.48 1bde h TRP 54 N 0.02 -0.31 -0.75 3.16 4.06 -0.80 0.22 115.95 121.56 1bde h TRP 54 Ca 0.12 -0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.16 1bde h TRP 54 Cb 0.47 0.10 -0.07 0.00 -1.00 0.00 0.00 29.16 28.66 1bde h TRP 54 CO -0.00 -0.07 0.39 0.00 -3.56 0.00 0.00 178.44 175.20 1bde h ALA 55 N 0.20 1.05 -0.60 1.49 0.00 -0.70 0.31 119.26 121.01 1bde h ALA 55 Ca -0.03 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1bde h ALA 55 Cb 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1bde h ALA 55 CO 0.06 -0.02 0.07 0.78 0.00 0.00 0.00 179.25 180.14 1bde h GLY 56 N 0.65 1.07 1.91 0.00 0.00 -0.85 -3.03 103.07 102.81 1bde h GLY 56 Ca 0.37 -0.71 -0.23 0.00 0.00 0.00 0.00 47.33 46.76 1bde h GLY 56 CO -0.27 0.66 -1.06 -2.08 0.00 0.00 0.00 176.54 173.79 1bde h VAL 57 N 0.93 1.66 0.00 4.60 2.07 0.98 -2.79 116.25 123.70 1bde h VAL 57 Ca 0.18 -3.34 -0.06 0.00 0.82 0.00 0.00 66.70 64.30 1bde h VAL 57 Cb 0.44 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1bde h VAL 57 CO 0.02 0.96 -0.30 -0.08 0.02 0.00 0.00 177.57 178.19 1bde h GLU 58 N 0.02 0.00 -0.05 1.57 4.57 -0.48 0.36 114.58 120.58 1bde h GLU 58 Ca -0.04 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.95 1bde h GLU 58 Cb 1.82 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.42 1bde h GLU 58 CO 0.15 0.30 -0.70 0.00 -1.18 0.00 0.00 179.01 177.57 1bde h ALA 59 N 1.70 0.15 0.00 2.92 0.00 -1.53 -1.58 119.26 120.91 1bde h ALA 59 Ca -0.00 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.12 1bde h ALA 59 Cb 0.63 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1bde h ALA 59 CO 0.04 0.48 -0.93 -0.84 0.00 0.00 0.00 179.25 178.00 1bde h ILE 60 N 0.16 1.67 -0.09 0.00 3.07 -1.18 -2.79 117.51 118.36 1bde h ILE 60 Ca -0.07 -3.20 -0.04 0.00 1.55 0.00 0.00 64.86 63.10 1bde h ILE 60 Cb 1.37 2.73 -0.01 0.00 -0.27 0.00 0.00 36.82 40.64 1bde h ILE 60 CO 0.14 0.91 -0.13 0.40 -1.05 0.00 0.00 178.15 178.42 1bde h ILE 61 N 0.00 1.15 0.71 0.16 1.08 -0.27 -2.43 117.51 117.91 1bde h ILE 61 Ca -0.01 -0.67 -0.03 0.00 -0.39 0.00 0.00 64.86 63.75 1bde h ILE 61 Cb 1.65 1.23 0.01 0.00 -3.07 0.00 0.00 36.82 36.64 1bde h ILE 61 CO 0.12 0.20 -0.34 0.03 -0.69 0.00 0.00 178.15 177.48 1bde h ARG 62 N 0.14 -0.91 -0.11 2.37 2.47 -0.99 0.68 114.38 118.01 1bde h ARG 62 Ca 0.03 0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.76 1bde h ARG 62 Cb 0.33 0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1bde h ARG 62 CO 0.02 -0.59 -0.18 -0.84 0.56 0.00 0.00 179.97 178.94 1bde h ILE 63 N -1.04 1.19 -0.19 2.04 -0.00 -1.57 0.20 117.51 118.15 1bde h ILE 63 Ca -0.10 -0.87 -0.14 0.00 -0.00 0.00 0.00 64.86 63.76 1bde h ILE 63 Cb 0.75 1.31 -0.01 0.00 -0.00 0.00 0.00 36.82 38.87 1bde h ILE 63 CO 0.16 0.26 -0.47 0.25 -0.00 0.00 0.00 178.15 178.35 1bde h LEU 64 N 0.18 0.52 0.00 0.16 5.85 -1.33 0.43 115.31 121.13 1bde h LEU 64 Ca 0.03 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1bde h LEU 64 Cb 0.43 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1bde h LEU 64 CO 0.03 0.92 -0.09 1.56 -0.34 0.00 0.00 178.44 180.52 1bde h GLN 65 N 0.39 0.05 -0.85 1.25 7.50 -0.17 -0.40 115.11 122.88 1bde h GLN 65 Ca 0.02 -0.06 0.20 0.00 0.50 0.00 0.00 58.65 59.31 1bde h GLN 65 Cb 0.97 0.02 -0.12 0.00 0.05 0.00 0.00 27.48 28.40 1bde h GLN 65 CO 0.09 0.88 0.32 1.96 -1.50 0.00 0.00 178.83 180.58 1bde h GLN 66 N -0.75 0.34 0.01 1.46 4.20 -0.52 0.75 115.11 120.61 1bde h GLN 66 Ca -0.01 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.44 1bde h GLN 66 Cb 0.92 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1bde h GLN 66 CO 0.02 0.22 -1.16 1.37 -0.67 0.00 0.00 178.83 178.61 1bde h LEU 67 N 0.35 0.05 -1.42 1.46 8.10 -0.96 -2.89 115.31 120.00 1bde h LEU 67 Ca 0.52 -0.06 -0.01 0.00 0.11 0.00 0.00 57.88 58.44 1bde h LEU 67 Cb 0.96 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 41.16 1bde h LEU 67 CO -0.53 1.05 -0.04 0.25 -4.11 0.00 0.00 178.44 175.05 1bde h LEU 68 N 0.01 0.00 -1.71 0.17 5.85 0.12 -1.86 115.31 117.88 1bde h LEU 68 Ca -0.08 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1bde h LEU 68 Cb 1.84 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 1bde h LEU 68 CO 0.13 0.04 -0.16 -0.26 -0.34 0.00 0.00 178.44 177.85 1bde h PHE 69 N 0.00 0.00 -0.92 1.25 0.04 0.57 -2.37 116.94 115.51 1bde h PHE 69 Ca -0.00 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.84 1bde h PHE 69 Cb 0.54 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.63 1bde h PHE 69 CO 0.00 0.16 0.60 0.82 -0.60 0.00 0.00 178.31 179.28 1bde h ILE 70 N 0.00 1.04 -0.05 -0.55 1.08 -1.42 0.21 117.51 117.82 1bde h ILE 70 Ca -0.00 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 64.13 1bde h ILE 70 Cb 0.28 -0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 33.96 1bde h ILE 70 CO 0.02 0.19 0.09 1.12 -0.69 0.00 0.00 178.15 178.88 1bde h HIS 71 N 1.02 0.00 0.00 1.37 2.07 -1.57 0.47 115.15 118.51 1bde h HIS 71 Ca 0.41 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.93 1bde h HIS 71 Cb 0.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.23 1bde h HIS 71 CO -0.00 0.00 -0.74 0.35 -3.07 0.00 0.00 177.93 174.47 1bde h PHE 72 N 0.00 0.00 0.00 6.12 3.04 -0.73 0.44 116.94 125.82 1bde h PHE 72 Ca 0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1bde h PHE 72 Cb 0.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1bde h PHE 72 CO 0.00 0.00 -1.13 0.54 -2.02 0.00 0.00 178.31 175.70 1bde n ARG 73 N -2.44 0.24 -0.09 1.11 1.74 0.12 -3.50 116.66 113.85 1bde n ARG 73 Ca 0.02 -0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 56.97 1bde n ARG 73 Cb 0.49 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 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 -1.85 1.49 0.07 0.55 5.41 0.12 -4.18 119.36 120.97 1bde n ILE 74 Ca 0.02 0.12 -0.03 0.00 1.00 0.00 0.00 62.75 63.86 1bde n ILE 74 Cb 0.42 -2.29 -0.01 0.00 -0.71 0.00 0.00 39.64 37.05 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 -0.95 -0.19 0.50 7.39 0.00 -0.30 0.22 103.07 109.74 1bde h GLY 75 Ca -0.04 0.07 0.18 0.00 0.00 0.00 0.00 47.33 47.54 1bde h GLY 75 CO -0.02 -0.07 0.55 0.00 0.00 0.00 0.00 176.54 177.00 1bde h ARG 77 N 0.38 0.00 -0.91 0.00 2.43 -1.65 -3.33 114.38 111.30 1bde h ARG 77 Ca 0.41 0.00 0.26 0.00 -0.81 0.00 0.00 59.98 59.85 1bde h ARG 77 Cb 1.04 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.42 1bde h ARG 77 CO -0.13 0.78 0.06 1.58 -1.51 0.00 0.00 179.97 180.75 1bde n HIS 78 N -3.51 0.63 0.00 2.20 -0.00 0.76 -4.80 115.22 110.49 1bde n HIS 78 Ca -0.00 1.09 0.00 0.00 0.46 0.00 0.00 57.72 59.27 1bde n HIS 78 Cb 0.78 -1.21 0.00 0.00 -0.12 0.00 0.00 29.99 29.44 1bde n HIS 78 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1bde n SER 79 N -5.30 0.00 -2.66 0.26 2.88 -1.25 -5.12 113.62 102.43 1bde n SER 79 Ca 0.23 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.72 1bde n SER 79 Cb 0.75 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.29 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 0.10 -4.47 -1.46 0.63 -1.26 -5.03 116.66 105.17 1bde n ARG 80 Ca 0.00 -0.65 -0.26 0.00 -0.92 0.00 0.00 57.85 56.02 1bde n ARG 80 Cb 0.00 -0.17 -0.13 0.00 0.45 0.00 0.00 32.46 32.60 1bde n ARG 80 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1bde s ILE 81 N 0.08 1.83 0.00 5.15 -4.36 -1.26 -5.10 121.20 117.53 1bde s ILE 81 Ca 0.25 -1.46 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 1bde s ILE 81 Cb 0.21 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 42.30 1bde s ILE 81 CO -0.09 0.09 0.00 0.61 0.24 0.00 0.00 174.94 175.79