#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 2.08 0.00 2.98 0.00 -1.26 -5.00 107.32 106.12 1bde s GLY 51 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1bde s GLY 51 CO 0.00 1.25 0.00 1.34 0.00 0.00 0.00 173.10 175.69 1bde n ASP 52 N 4.93 0.00 -0.41 1.64 -0.08 -1.26 -4.65 116.55 116.73 1bde n ASP 52 Ca -0.02 0.00 0.36 0.00 -1.51 0.00 0.00 54.79 53.62 1bde n ASP 52 Cb 0.50 0.00 0.70 0.00 2.34 0.00 0.00 41.12 44.66 1bde n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bde h THR 53 N 0.00 0.32 0.01 5.18 1.03 -1.96 -0.79 112.91 116.69 1bde h THR 53 Ca 0.00 -0.03 0.01 0.00 -0.01 0.00 0.00 66.41 66.38 1bde h THR 53 Cb 0.00 0.21 -0.01 0.00 -1.07 0.00 0.00 68.15 67.28 1bde h THR 53 CO 0.00 0.02 -0.06 -0.50 -0.01 0.00 0.00 175.52 174.97 1bde h TRP 54 N 0.09 -0.14 -0.22 0.00 4.06 -1.98 0.72 115.95 118.49 1bde h TRP 54 Ca 0.68 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.50 1bde h TRP 54 Cb 2.42 0.06 0.00 0.00 -1.00 0.00 0.00 29.16 30.64 1bde h TRP 54 CO -0.00 -0.09 -0.39 0.00 -3.56 0.00 0.00 178.44 174.40 1bde h ALA 55 N 0.88 0.34 -0.48 1.49 0.00 -1.46 0.35 119.26 120.37 1bde h ALA 55 Ca 0.02 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 54.57 1bde h ALA 55 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1bde h ALA 55 CO -0.05 0.43 0.33 0.78 0.00 0.00 0.00 179.25 180.74 1bde h GLY 56 N 0.34 0.38 0.07 0.00 0.00 -0.77 -1.23 103.07 101.86 1bde h GLY 56 Ca 0.01 -0.12 -0.40 0.00 0.00 0.00 0.00 47.33 46.83 1bde h GLY 56 CO 0.09 0.08 -2.40 -0.62 0.00 0.00 0.00 176.54 173.69 1bde n VAL 57 N -4.46 1.53 0.27 4.60 0.31 0.25 -3.73 118.33 117.10 1bde n VAL 57 Ca 0.07 -0.52 0.11 0.00 -0.01 0.00 0.00 64.34 64.00 1bde n VAL 57 Cb 0.35 -1.58 0.75 0.00 -0.91 0.00 0.00 33.84 32.45 1bde n VAL 57 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1bde h GLU 58 N -0.26 0.00 0.00 5.55 4.39 -0.26 0.44 114.58 124.45 1bde h GLU 58 Ca -0.58 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.01 1bde h GLU 58 Cb 1.83 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.46 1bde h GLU 58 CO -0.15 0.00 -0.52 0.00 -1.16 0.00 0.00 179.01 177.18 1bde h ALA 59 N 1.99 0.75 0.04 3.43 0.00 -1.39 -1.98 119.26 122.08 1bde h ALA 59 Ca 0.01 -0.47 -0.35 0.00 0.00 0.00 0.00 54.91 54.10 1bde h ALA 59 Cb 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1bde h ALA 59 CO -0.00 0.64 -2.11 0.44 0.00 0.00 0.00 179.25 178.22 1bde n ILE 60 N -3.34 1.58 0.23 0.00 -5.35 0.29 -3.97 119.36 108.80 1bde n ILE 60 Ca 0.01 -0.72 0.11 0.00 -0.27 0.00 0.00 62.75 61.88 1bde n ILE 60 Cb 0.68 -1.19 0.49 0.00 -1.74 0.00 0.00 39.64 37.87 1bde n ILE 60 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 1bde h ILE 61 N 0.02 0.45 0.08 7.28 -0.00 -0.35 -1.92 117.51 123.07 1bde h ILE 61 Ca -0.45 -1.03 -0.00 0.00 -0.00 0.00 0.00 64.86 63.38 1bde h ILE 61 Cb 2.05 1.73 0.00 0.00 -0.00 0.00 0.00 36.82 40.60 1bde h ILE 61 CO 0.03 0.18 -0.04 -0.09 -0.00 0.00 0.00 178.15 178.24 1bde h ARG 62 N 0.00 -0.10 0.00 2.19 2.43 -1.48 -2.73 114.38 114.68 1bde h ARG 62 Ca -0.00 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1bde h ARG 62 Cb 0.72 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1bde h ARG 62 CO 0.02 0.45 -0.50 -0.84 -1.51 0.00 0.00 179.97 177.60 1bde h ILE 63 N -0.78 1.29 -0.34 1.20 -0.00 -1.68 0.11 117.51 117.30 1bde h ILE 63 Ca -0.01 -1.74 -0.13 0.00 -0.00 0.00 0.00 64.86 62.98 1bde h ILE 63 Cb 0.60 1.96 -0.01 0.00 -0.00 0.00 0.00 36.82 39.36 1bde h ILE 63 CO 0.02 0.49 -0.32 0.25 -0.00 0.00 0.00 178.15 178.58 1bde h LEU 64 N 0.00 0.78 -0.01 0.16 5.85 -1.43 0.20 115.31 120.86 1bde h LEU 64 Ca -0.00 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 1bde h LEU 64 Cb 0.92 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1bde h LEU 64 CO 0.06 1.04 -0.17 1.56 -0.34 0.00 0.00 178.44 180.60 1bde h GLN 65 N 0.63 0.14 -0.75 1.25 7.50 -1.20 0.18 115.11 122.86 1bde h GLN 65 Ca 0.07 -0.13 0.13 0.00 0.50 0.00 0.00 58.65 59.22 1bde h GLN 65 Cb 0.86 0.03 -0.09 0.00 0.05 0.00 0.00 27.48 28.33 1bde h GLN 65 CO 0.07 0.84 0.32 -0.56 -1.50 0.00 0.00 178.83 178.00 1bde h GLN 66 N -0.51 0.47 -0.02 1.46 3.07 -0.60 0.51 115.11 119.48 1bde h GLN 66 Ca -0.02 -0.03 -0.24 0.00 0.09 0.00 0.00 58.65 58.46 1bde h GLN 66 Cb 0.89 -0.11 0.01 0.00 0.08 0.00 0.00 27.48 28.35 1bde h GLN 66 CO 0.03 0.31 -0.95 1.37 0.09 0.00 0.00 178.83 179.68 1bde h LEU 67 N 0.48 0.71 -1.20 0.06 8.10 -0.62 -2.31 115.31 120.53 1bde h LEU 67 Ca 0.41 -0.55 0.00 0.00 0.11 0.00 0.00 57.88 57.85 1bde h LEU 67 Cb 0.59 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 1bde h LEU 67 CO -0.38 1.35 0.00 -0.07 -4.11 0.00 0.00 178.44 175.23 1bde h LEU 68 N 0.32 0.00 -0.36 0.17 3.38 0.69 -0.08 115.31 119.43 1bde h LEU 68 Ca -0.09 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.69 1bde h LEU 68 Cb 1.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1bde h LEU 68 CO 0.18 0.00 -0.74 -0.26 0.09 0.00 0.00 178.44 177.70 1bde h PHE 69 N 0.00 0.62 -0.76 1.13 0.04 0.53 -3.20 116.94 115.30 1bde h PHE 69 Ca 0.00 -0.28 0.12 0.00 2.80 0.00 0.00 57.97 60.61 1bde h PHE 69 Cb 0.29 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.26 1bde h PHE 69 CO 0.00 1.05 0.36 0.82 -0.60 0.00 0.00 178.31 179.94 1bde h ILE 70 N 0.31 0.77 -0.48 -0.55 1.08 -0.89 0.63 117.51 118.39 1bde h ILE 70 Ca -0.04 -0.20 0.14 0.00 -0.39 0.00 0.00 64.86 64.38 1bde h ILE 70 Cb 1.33 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 1bde h ILE 70 CO 0.13 0.10 0.39 1.12 -0.69 0.00 0.00 178.15 179.20 1bde h HIS 71 N 0.57 0.00 0.00 1.37 2.07 -1.59 0.38 115.15 117.94 1bde h HIS 71 Ca 0.39 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.76 1bde h HIS 71 Cb 0.50 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.46 1bde h HIS 71 CO -0.12 0.00 -0.74 0.35 -3.07 0.00 0.00 177.93 174.35 1bde h PHE 72 N 0.00 0.00 0.20 6.12 3.57 -1.03 0.71 116.94 126.51 1bde h PHE 72 Ca 0.23 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.40 1bde h PHE 72 Cb 1.00 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.76 1bde h PHE 72 CO 0.00 0.74 -1.55 0.00 -2.23 0.00 0.00 178.31 175.27 1bde h ARG 73 N 0.00 0.42 0.02 1.11 3.08 -0.27 -3.02 114.38 115.71 1bde h ARG 73 Ca -0.01 -0.71 -0.00 0.00 0.07 0.00 0.00 59.98 59.33 1bde h ARG 73 Cb 1.34 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.65 1bde h ARG 73 CO 0.10 1.32 -0.01 0.82 -1.07 0.00 0.00 179.97 181.13 1bde h ILE 74 N 0.11 1.19 -0.37 2.04 5.03 -0.42 -2.68 117.51 122.42 1bde h ILE 74 Ca -0.27 -0.65 0.08 0.00 -0.12 0.00 0.00 64.86 63.90 1bde h ILE 74 Cb 2.10 1.63 -0.08 0.00 -3.03 0.00 0.00 36.82 37.44 1bde h ILE 74 CO 0.22 0.17 -0.19 1.23 -0.68 0.00 0.00 178.15 178.90 1bde h GLY 75 N -0.30 0.08 -0.31 5.37 0.00 -0.94 -1.73 103.07 105.23 1bde h GLY 75 Ca -0.00 0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.61 1bde h GLY 75 CO 0.00 -0.19 -0.53 0.00 0.00 0.00 0.00 176.54 175.83 1bde h ARG 77 N -0.43 0.72 0.00 0.00 -0.00 -1.09 0.27 114.38 113.85 1bde h ARG 77 Ca 0.08 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 1bde h ARG 77 Cb 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.43 1bde h ARG 77 CO -0.55 0.48 -0.27 0.72 0.00 0.00 0.00 179.97 180.35 1bde n HIS 78 N -4.58 0.18 0.04 3.04 8.25 -0.37 -3.74 115.22 118.05 1bde n HIS 78 Ca 0.18 0.05 0.01 0.00 -0.26 0.00 0.00 57.72 57.70 1bde n HIS 78 Cb 0.46 -0.48 -0.07 0.00 1.12 0.00 0.00 29.99 31.02 1bde n HIS 78 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1bde h SER 79 N 0.00 0.00 -2.13 0.41 0.87 0.36 -3.39 113.55 109.67 1bde h SER 79 Ca 0.00 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.93 1bde h SER 79 Cb 0.56 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.13 1bde h SER 79 CO 0.00 0.52 -0.31 -1.14 -0.53 0.00 0.00 176.83 175.37 1bde n ARG 80 N -2.89 3.61 -4.22 2.24 0.63 -0.36 -5.03 116.66 110.64 1bde n ARG 80 Ca -0.08 -4.71 -0.15 0.00 -0.92 0.00 0.00 57.85 52.00 1bde n ARG 80 Cb 0.81 -2.28 -0.09 0.00 0.45 0.00 0.00 32.46 31.35 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 -4.68 0.00 0.00 5.15 -4.36 -1.26 -5.01 121.20 111.03 1bde s ILE 81 Ca 0.47 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 1bde s ILE 81 Cb 0.30 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1bde s ILE 81 CO -0.16 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.63