#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 -1.73 0.00 2.98 0.00 -1.26 -5.10 107.32 102.21 1bde s GLY 51 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.89 1bde s GLY 51 CO 0.00 4.39 0.00 1.22 0.00 0.00 0.00 173.10 178.71 1bde n ASP 52 N 3.24 0.00 -0.33 1.64 9.92 -1.26 -4.79 116.55 124.97 1bde n ASP 52 Ca 0.07 0.00 0.28 0.00 -0.53 0.00 0.00 54.79 54.61 1bde n ASP 52 Cb 0.65 0.00 0.47 0.00 -0.64 0.00 0.00 41.12 41.59 1bde n ASP 52 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1bde n THR 53 N 0.00 -0.17 0.16 -3.53 -1.04 -1.26 0.19 114.28 108.64 1bde n THR 53 Ca 0.00 1.22 -0.14 0.00 -2.04 0.00 0.00 64.05 63.09 1bde n THR 53 Cb 0.00 -2.00 -0.08 0.00 -1.82 0.00 0.00 70.33 66.43 1bde n THR 53 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1bde h TRP 54 N 0.00 -0.38 -0.05 -1.42 -0.00 -1.98 0.12 115.95 112.24 1bde h TRP 54 Ca 0.60 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.47 1bde h TRP 54 Cb 1.96 0.12 -0.00 0.00 -0.00 0.00 0.00 29.16 31.24 1bde h TRP 54 CO -0.00 -0.08 -0.00 0.00 -0.00 0.00 0.00 178.44 178.36 1bde h ALA 55 N -0.07 0.07 -0.75 2.65 0.00 -0.57 0.38 119.26 120.97 1bde h ALA 55 Ca -0.04 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.85 1bde h ALA 55 Cb 0.47 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 1bde h ALA 55 CO 0.07 -0.26 0.27 0.78 0.00 0.00 0.00 179.25 180.12 1bde h GLY 56 N -0.20 1.12 1.72 0.00 0.00 -0.63 0.54 103.07 105.62 1bde h GLY 56 Ca 0.02 -0.12 -0.25 0.00 0.00 0.00 0.00 47.33 46.97 1bde h GLY 56 CO 0.00 -0.13 -1.19 -2.08 0.00 0.00 0.00 176.54 173.14 1bde h VAL 57 N 0.40 1.53 0.00 4.60 2.07 -0.65 -2.32 116.25 121.88 1bde h VAL 57 Ca 0.42 -3.17 -0.02 0.00 0.82 0.00 0.00 66.70 64.74 1bde h VAL 57 Cb 0.66 2.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1bde h VAL 57 CO -0.43 0.90 -0.10 -0.08 0.02 0.00 0.00 177.57 177.89 1bde h GLU 58 N 0.04 0.00 0.16 1.57 4.81 0.95 0.27 114.58 122.39 1bde h GLU 58 Ca -0.10 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.83 1bde h GLU 58 Cb 1.89 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.29 1bde h GLU 58 CO 0.16 0.10 -1.41 0.00 -0.73 0.00 0.00 179.01 177.13 1bde h ALA 59 N 1.90 0.07 0.08 2.92 0.00 0.10 -3.18 119.26 121.15 1bde h ALA 59 Ca -0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 54.91 53.71 1bde h ALA 59 Cb 0.65 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1bde h ALA 59 CO 0.01 0.94 -1.20 -0.84 0.00 0.00 0.00 179.25 178.17 1bde h ILE 60 N 0.09 1.53 -0.77 0.00 3.07 -1.07 -2.95 117.51 117.41 1bde h ILE 60 Ca -0.21 -3.16 0.22 0.00 1.55 0.00 0.00 64.86 63.27 1bde h ILE 60 Cb 2.04 2.89 -0.03 0.00 -0.27 0.00 0.00 36.82 41.45 1bde h ILE 60 CO 0.21 0.91 0.57 0.40 -1.05 0.00 0.00 178.15 179.19 1bde h ILE 61 N 0.05 0.59 0.17 0.16 2.04 -0.53 0.04 117.51 120.03 1bde h ILE 61 Ca -0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1bde h ILE 61 Cb 1.91 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1bde h ILE 61 CO 0.17 0.00 -0.08 0.03 0.00 0.00 0.00 178.15 178.27 1bde h ARG 62 N 0.00 -0.22 0.00 2.37 2.47 -1.50 -1.59 114.38 115.92 1bde h ARG 62 Ca 0.37 0.02 -0.16 0.00 -1.26 0.00 0.00 59.98 58.95 1bde h ARG 62 Cb 1.50 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.84 1bde h ARG 62 CO -0.00 0.10 -0.74 -0.84 0.56 0.00 0.00 179.97 179.04 1bde h ILE 63 N -0.55 1.36 -0.35 2.04 -0.00 -1.48 -1.04 117.51 117.48 1bde h ILE 63 Ca -0.02 -2.71 -0.12 0.00 -0.00 0.00 0.00 64.86 62.01 1bde h ILE 63 Cb 0.42 2.54 -0.01 0.00 -0.00 0.00 0.00 36.82 39.76 1bde h ILE 63 CO 0.04 0.73 -0.26 0.25 -0.00 0.00 0.00 178.15 178.91 1bde h LEU 64 N 0.00 0.73 0.03 0.16 5.85 -1.05 0.22 115.31 121.25 1bde h LEU 64 Ca -0.01 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1bde h LEU 64 Cb 1.48 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1bde h LEU 64 CO 0.10 0.96 -0.01 1.56 -0.34 0.00 0.00 178.44 180.70 1bde h GLN 65 N 0.62 -0.04 -0.75 1.25 7.50 -1.23 0.14 115.11 122.59 1bde h GLN 65 Ca 0.08 0.00 0.16 0.00 0.50 0.00 0.00 58.65 59.39 1bde h GLN 65 Cb 0.76 0.01 -0.11 0.00 0.05 0.00 0.00 27.48 28.19 1bde h GLN 65 CO 0.06 0.66 0.24 1.96 -1.50 0.00 0.00 178.83 180.25 1bde h GLN 66 N -0.84 0.33 0.01 1.46 4.20 -1.04 0.53 115.11 119.76 1bde h GLN 66 Ca -0.00 -0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.49 1bde h GLN 66 Cb 0.72 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1bde h GLN 66 CO 0.01 0.22 -0.92 -0.07 -0.67 0.00 0.00 178.83 177.40 1bde h LEU 67 N 0.34 0.17 -1.62 1.46 3.38 -0.61 -0.46 115.31 117.97 1bde h LEU 67 Ca 0.43 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1bde h LEU 67 Cb 0.71 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1bde h LEU 67 CO -0.47 0.99 -0.15 0.25 0.09 0.00 0.00 178.44 179.15 1bde h LEU 68 N 0.06 0.00 0.04 1.67 5.85 0.10 -1.94 115.31 121.09 1bde h LEU 68 Ca -0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1bde h LEU 68 Cb 1.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1bde h LEU 68 CO 0.13 0.15 -0.02 -0.26 -0.34 0.00 0.00 178.44 178.10 1bde h PHE 69 N 0.00 -0.06 -0.89 1.25 0.04 0.62 -3.28 116.94 114.63 1bde h PHE 69 Ca -0.00 -0.00 0.23 0.00 2.80 0.00 0.00 57.97 61.00 1bde h PHE 69 Cb 0.49 0.02 -0.16 0.00 2.20 0.00 0.00 35.95 38.51 1bde h PHE 69 CO 0.00 0.59 0.08 0.82 -0.60 0.00 0.00 178.31 179.19 1bde h ILE 70 N -0.83 0.20 -0.77 -0.55 5.03 -0.37 0.73 117.51 120.95 1bde h ILE 70 Ca -0.01 -0.03 0.18 0.00 -0.12 0.00 0.00 64.86 64.88 1bde h ILE 70 Cb 0.67 0.10 -0.13 0.00 -3.03 0.00 0.00 36.82 34.42 1bde h ILE 70 CO 0.01 0.02 0.02 -0.74 -0.68 0.00 0.00 178.15 176.77 1bde h HIS 71 N 0.09 -0.03 0.00 1.37 -0.00 -1.47 0.51 115.15 115.62 1bde h HIS 71 Ca 0.53 0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.95 1bde h HIS 71 Cb 1.05 0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1bde h HIS 71 CO -0.41 -0.24 -0.03 0.35 -0.00 0.00 0.00 177.93 177.59 1bde h PHE 72 N 0.11 0.00 0.08 5.26 3.57 -0.96 0.63 116.94 125.62 1bde h PHE 72 Ca 0.42 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.64 1bde h PHE 72 Cb 0.76 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1bde h PHE 72 CO -0.42 0.03 -1.54 0.00 -2.23 0.00 0.00 178.31 174.15 1bde h ARG 73 N 0.00 0.17 -0.54 1.11 3.08 -0.32 -0.75 114.38 117.12 1bde h ARG 73 Ca -0.00 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 1bde h ARG 73 Cb 0.26 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1bde h ARG 73 CO 0.00 1.14 0.31 0.82 -1.07 0.00 0.00 179.97 181.17 1bde h ILE 74 N -0.42 1.16 0.00 2.04 2.04 0.48 0.35 117.51 123.17 1bde h ILE 74 Ca -0.36 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1bde h ILE 74 Cb 1.69 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1bde h ILE 74 CO -0.02 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.91 1bde n GLY 75 N -1.32 -0.76 0.41 5.37 0.00 0.21 -1.75 105.19 107.35 1bde n GLY 75 Ca 0.05 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.30 1bde n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bde h ARG 77 N 0.39 0.00 -0.38 0.00 9.65 -0.43 -3.39 114.38 120.22 1bde h ARG 77 Ca 0.58 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.54 1bde h ARG 77 Cb 1.50 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.99 1bde h ARG 77 CO -0.28 0.00 -0.21 0.45 2.80 0.00 0.00 179.97 182.73 1bde h HIS 78 N 0.00 -0.54 0.00 2.20 3.86 -0.32 -3.47 115.15 116.88 1bde h HIS 78 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1bde h HIS 78 Cb 0.78 0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.54 1bde h HIS 78 CO 0.00 -0.29 0.00 0.45 0.86 0.00 0.00 177.93 178.95 1bde n SER 79 N -5.38 0.00 -1.40 2.45 2.88 -1.26 -5.02 113.62 105.89 1bde n SER 79 Ca 0.02 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.60 1bde n SER 79 Cb 0.29 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.50 0.41 0.00 -1.46 0.00 -1.26 -4.97 116.66 108.88 1bde n ARG 80 Ca 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 57.85 55.51 1bde n ARG 80 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 32.46 32.06 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 0.14 0.00 0.00 5.15 -5.35 -1.26 -5.28 119.36 112.76 1bde n ILE 81 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1bde n ILE 81 Cb 1.05 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 1bde n ILE 81 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40