#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 0.00 0.41 2.98 0.00 -1.26 -5.06 105.19 102.26 1bde n GLY 51 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -1.75 -0.52 1.61 5.19 -2.05 0.16 116.42 119.06 1bde h ASP 52 Ca 0.00 0.29 0.13 0.00 -0.62 0.00 0.00 57.03 56.83 1bde h ASP 52 Cb 0.00 0.80 -0.03 0.00 0.18 0.00 0.00 39.33 40.29 1bde h ASP 52 CO 0.00 -0.30 0.36 0.74 -3.12 0.00 0.00 179.24 176.93 1bde h THR 53 N -0.12 0.79 0.64 0.35 2.02 -1.97 0.13 112.91 114.75 1bde h THR 53 Ca 0.20 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 1bde h THR 53 Cb 0.52 0.66 0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1bde h THR 53 CO -0.83 0.02 -0.31 -0.25 0.37 0.00 0.00 175.52 174.52 1bde h TRP 54 N 0.12 -0.80 -0.53 3.16 -0.00 -1.11 0.25 115.95 117.04 1bde h TRP 54 Ca 0.25 -0.02 0.11 0.00 -0.00 0.00 0.00 58.89 59.22 1bde h TRP 54 Cb 0.82 0.26 -0.09 0.00 -0.00 0.00 0.00 29.16 30.15 1bde h TRP 54 CO -0.00 -0.46 -0.02 0.00 -0.00 0.00 0.00 178.44 177.95 1bde h ALA 55 N -1.01 0.48 -0.83 2.65 0.00 -0.87 0.27 119.26 119.94 1bde h ALA 55 Ca -0.09 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1bde h ALA 55 Cb 0.70 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1bde h ALA 55 CO 0.14 -0.40 0.54 0.78 0.00 0.00 0.00 179.25 180.31 1bde h GLY 56 N 0.09 1.12 1.78 0.00 0.00 -0.61 -2.52 103.07 102.92 1bde h GLY 56 Ca 0.27 -0.32 -0.25 0.00 0.00 0.00 0.00 47.33 47.04 1bde h GLY 56 CO -0.47 0.17 -1.15 -2.08 0.00 0.00 0.00 176.54 173.02 1bde h VAL 57 N 0.76 1.59 0.00 4.60 2.07 0.16 -2.94 116.25 122.49 1bde h VAL 57 Ca 0.39 -3.21 -0.05 0.00 0.82 0.00 0.00 66.70 64.65 1bde h VAL 57 Cb 0.48 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1bde h VAL 57 CO -0.16 0.93 -0.26 -0.08 0.02 0.00 0.00 177.57 178.02 1bde h GLU 58 N 0.05 0.00 -0.32 1.57 4.81 -0.55 0.25 114.58 120.39 1bde h GLU 58 Ca -0.09 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1bde h GLU 58 Cb 1.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.26 1bde h GLU 58 CO 0.18 0.26 -0.27 0.00 -0.73 0.00 0.00 179.01 178.44 1bde h ALA 59 N 1.74 0.92 0.14 2.92 0.00 -1.46 0.36 119.26 123.88 1bde h ALA 59 Ca -0.00 -0.38 -0.32 0.00 0.00 0.00 0.00 54.91 54.21 1bde h ALA 59 Cb 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bde h ALA 59 CO 0.03 0.62 -1.59 -0.84 0.00 0.00 0.00 179.25 177.47 1bde h ILE 60 N 0.57 1.10 0.00 0.00 3.07 -1.11 -3.24 117.51 117.89 1bde h ILE 60 Ca 0.07 -2.72 -0.06 0.00 1.55 0.00 0.00 64.86 63.71 1bde h ILE 60 Cb 0.76 2.77 -0.01 0.00 -0.27 0.00 0.00 36.82 40.07 1bde h ILE 60 CO 0.06 0.82 -0.29 0.40 -1.05 0.00 0.00 178.15 178.10 1bde h ILE 61 N 0.08 1.17 0.35 0.16 2.04 -0.43 -2.18 117.51 118.69 1bde h ILE 61 Ca -0.27 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 1bde h ILE 61 Cb 2.04 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1bde h ILE 61 CO 0.17 0.28 -0.17 0.03 0.00 0.00 0.00 178.15 178.47 1bde h ARG 62 N 0.00 -0.45 0.00 2.37 3.08 -0.30 -1.87 114.38 117.21 1bde h ARG 62 Ca -0.00 0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 1bde h ARG 62 Cb 0.52 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1bde h ARG 62 CO 0.04 -0.19 -0.62 -0.84 -1.07 0.00 0.00 179.97 177.29 1bde h ILE 63 N -0.66 1.36 -0.01 2.04 -0.00 -1.62 -0.31 117.51 118.32 1bde h ILE 63 Ca -0.05 -2.19 -0.10 0.00 -0.00 0.00 0.00 64.86 62.53 1bde h ILE 63 Cb 0.47 2.21 -0.01 0.00 -0.00 0.00 0.00 36.82 39.48 1bde h ILE 63 CO 0.08 0.61 -0.46 0.25 -0.00 0.00 0.00 178.15 178.62 1bde h LEU 64 N 0.00 0.02 0.00 0.16 5.85 -1.38 0.62 115.31 120.59 1bde h LEU 64 Ca -0.01 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1bde h LEU 64 Cb 1.16 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1bde h LEU 64 CO 0.08 0.48 -0.25 1.56 -0.34 0.00 0.00 178.44 179.98 1bde h GLN 65 N 0.02 0.00 -1.00 1.25 7.50 -1.15 -1.69 115.11 120.04 1bde h GLN 65 Ca -0.00 0.00 0.22 0.00 0.50 0.00 0.00 58.65 59.37 1bde h GLN 65 Cb 0.83 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 28.26 1bde h GLN 65 CO 0.06 0.76 0.62 1.96 -1.50 0.00 0.00 178.83 180.73 1bde h GLN 66 N -1.00 0.57 0.07 1.46 4.20 -0.94 0.67 115.11 120.13 1bde h GLN 66 Ca -0.06 -0.03 -0.28 0.00 0.06 0.00 0.00 58.65 58.34 1bde h GLN 66 Cb 0.84 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 1bde h GLN 66 CO -0.04 0.37 -1.42 -0.07 -0.67 0.00 0.00 178.83 177.01 1bde h LEU 67 N 0.58 0.22 -0.56 1.46 3.38 -0.98 -3.08 115.31 116.33 1bde h LEU 67 Ca 0.58 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1bde h LEU 67 Cb 1.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1bde h LEU 67 CO -0.35 1.25 0.00 -0.11 0.09 0.00 0.00 178.44 179.32 1bde n LEU 68 N -3.35 0.75 -0.09 1.67 7.94 -0.02 -1.90 117.00 122.00 1bde n LEU 68 Ca -0.12 0.65 -0.06 0.00 -1.11 0.00 0.00 56.01 55.37 1bde n LEU 68 Cb 1.02 -0.51 0.12 0.00 0.53 0.00 0.00 43.42 44.57 1bde n LEU 68 CO 0.49 -0.48 0.77 -0.26 -1.11 0.00 0.00 177.39 176.79 1bde h PHE 69 N 0.00 0.85 -0.68 1.96 0.04 0.34 -2.94 116.94 116.51 1bde h PHE 69 Ca 0.00 -0.17 0.15 0.00 2.80 0.00 0.00 57.97 60.75 1bde h PHE 69 Cb 0.47 -0.21 -0.11 0.00 2.20 0.00 0.00 35.95 38.29 1bde h PHE 69 CO 0.00 0.86 0.03 0.82 -0.60 0.00 0.00 178.31 179.42 1bde h ILE 70 N 0.69 0.44 -0.90 -0.55 2.04 -1.48 0.19 117.51 117.93 1bde h ILE 70 Ca 0.11 -0.05 0.21 0.00 1.00 0.00 0.00 64.86 66.14 1bde h ILE 70 Cb 0.63 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1bde h ILE 70 CO 0.04 0.02 0.60 -0.74 0.00 0.00 0.00 178.15 178.08 1bde h HIS 71 N 0.13 0.48 0.00 1.37 -0.00 -1.66 0.72 115.15 116.20 1bde h HIS 71 Ca 0.37 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.75 1bde h HIS 71 Cb 0.62 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1bde h HIS 71 CO -0.37 0.12 -0.18 0.34 -0.00 0.00 0.00 177.93 177.83 1bde n PHE 72 N -4.49 0.58 -0.01 5.26 -0.00 0.61 0.15 117.46 119.56 1bde n PHE 72 Ca 0.19 0.17 0.10 0.00 -0.00 0.00 0.00 57.45 57.91 1bde n PHE 72 Cb 0.73 -0.73 -0.16 0.00 -0.00 0.00 0.00 39.48 39.32 1bde n PHE 72 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1bde n ARG 73 N -2.01 0.64 -0.10 -4.13 1.74 0.14 -4.34 116.66 108.60 1bde n ARG 73 Ca 0.05 -0.18 -0.24 0.00 -0.77 0.00 0.00 57.85 56.71 1bde n ARG 73 Cb 0.41 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.24 1.57 -0.19 0.55 5.41 0.20 -4.28 119.36 120.38 1bde n ILE 74 Ca -0.05 -0.39 -0.09 0.00 1.00 0.00 0.00 62.75 63.23 1bde n ILE 74 Cb 0.57 -1.79 -0.07 0.00 -0.71 0.00 0.00 39.64 37.63 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 0.05 -1.34 1.43 7.39 0.00 -0.48 0.37 103.07 110.49 1bde h GLY 75 Ca -0.54 0.83 0.06 0.00 0.00 0.00 0.00 47.33 47.68 1bde h GLY 75 CO -0.21 -0.29 0.22 0.00 0.00 0.00 0.00 176.54 176.27 1bde n ARG 77 N -3.83 0.23 0.20 0.00 1.74 0.59 -3.91 116.66 111.67 1bde n ARG 77 Ca 0.02 0.04 0.14 0.00 -0.77 0.00 0.00 57.85 57.28 1bde n ARG 77 Cb 0.35 -1.61 0.53 0.00 -1.02 0.00 0.00 32.46 30.71 1bde n ARG 77 CO 0.00 0.00 0.00 1.12 -1.52 0.00 0.00 177.63 177.23 1bde h HIS 78 N 0.00 0.00 0.00 -1.55 2.07 0.18 -3.44 115.15 112.41 1bde h HIS 78 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1bde h HIS 78 Cb 0.69 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.67 1bde h HIS 78 CO 0.00 0.00 0.00 0.45 -3.07 0.00 0.00 177.93 175.31 1bde n SER 79 N -2.67 0.00 -3.16 3.10 2.88 -1.24 -5.11 113.62 107.42 1bde n SER 79 Ca 0.02 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.59 1bde n SER 79 Cb 0.31 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1bde n SER 79 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1bde s ARG 80 N 0.00 0.61 0.16 -1.46 6.06 -1.26 -4.86 118.95 118.21 1bde s ARG 80 Ca 0.00 0.20 -0.01 0.00 -2.50 0.00 0.00 55.73 53.42 1bde s ARG 80 Cb 0.00 0.17 -0.04 0.00 0.06 0.00 0.00 34.95 35.14 1bde s ARG 80 CO 0.00 -1.02 0.36 0.42 -2.50 0.00 0.00 175.30 172.56 1bde s ILE 81 N 2.45 5.23 0.00 4.11 1.09 -1.26 -5.12 121.20 127.69 1bde s ILE 81 Ca 0.14 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.39 1bde s ILE 81 Cb -0.07 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1bde s ILE 81 CO -0.18 -0.07 0.00 0.61 -0.10 0.00 0.00 174.94 175.19