#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 0.28 2.72 0.00 -1.26 -4.79 105.19 102.14 1bde n GLY 51 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1bde n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bde n ASP 52 N 0.00 -0.03 0.26 1.61 5.75 -1.26 0.14 116.55 123.03 1bde n ASP 52 Ca 0.00 1.37 0.11 0.00 -0.01 0.00 0.00 54.79 56.27 1bde n ASP 52 Cb 0.00 -0.53 0.73 0.00 -1.03 0.00 0.00 41.12 40.29 1bde n ASP 52 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1bde h THR 53 N 0.00 0.71 0.02 2.12 2.02 -1.97 0.21 112.91 116.02 1bde h THR 53 Ca 0.53 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 1bde h THR 53 Cb 1.16 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1bde h THR 53 CO -0.74 0.09 -0.01 -0.25 0.37 0.00 0.00 175.52 174.98 1bde h TRP 54 N 0.00 -0.03 -0.37 3.16 -0.00 -0.70 -3.09 115.95 114.92 1bde h TRP 54 Ca -0.00 -0.00 0.07 0.00 -0.00 0.00 0.00 58.89 58.96 1bde h TRP 54 Cb 0.21 0.01 -0.09 0.00 -0.00 0.00 0.00 29.16 29.29 1bde h TRP 54 CO 0.00 -0.02 -0.36 0.00 -0.00 0.00 0.00 178.44 178.07 1bde h ALA 55 N -1.87 -0.28 -0.79 2.65 0.00 -1.52 0.35 119.26 117.79 1bde h ALA 55 Ca -0.00 0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.21 1bde h ALA 55 Cb 0.02 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1bde h ALA 55 CO 0.00 -0.78 0.57 0.78 0.00 0.00 0.00 179.25 179.82 1bde h GLY 56 N -0.30 0.08 0.39 0.00 0.00 -0.74 0.70 103.07 103.20 1bde h GLY 56 Ca 0.15 -0.02 -0.28 0.00 0.00 0.00 0.00 47.33 47.19 1bde h GLY 56 CO -0.53 0.00 -2.03 -0.62 0.00 0.00 0.00 176.54 173.36 1bde n VAL 57 N -4.32 1.27 0.14 4.60 0.31 0.09 -3.42 118.33 117.00 1bde n VAL 57 Ca 0.16 -0.78 -0.01 0.00 -0.01 0.00 0.00 64.34 63.70 1bde n VAL 57 Cb 0.84 -0.60 0.20 0.00 -0.91 0.00 0.00 33.84 33.37 1bde n VAL 57 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bde h GLU 58 N 0.00 0.00 -0.32 5.55 4.22 0.50 0.12 114.58 124.65 1bde h GLU 58 Ca -0.37 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 58.94 1bde h GLU 58 Cb 1.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.20 1bde h GLU 58 CO 0.04 0.58 -0.32 0.00 -2.18 0.00 0.00 179.01 177.13 1bde h ALA 59 N 1.42 0.84 0.20 2.92 0.00 -1.03 0.17 119.26 123.78 1bde h ALA 59 Ca -0.01 -0.41 -0.33 0.00 0.00 0.00 0.00 54.91 54.17 1bde h ALA 59 Cb 1.03 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.71 1bde h ALA 59 CO 0.08 0.64 -1.52 -0.84 0.00 0.00 0.00 179.25 177.60 1bde h ILE 60 N 0.58 1.21 -0.63 0.00 3.07 -1.52 -3.19 117.51 117.03 1bde h ILE 60 Ca 0.06 -2.73 0.11 0.00 1.55 0.00 0.00 64.86 63.86 1bde h ILE 60 Cb 0.83 2.91 -0.08 0.00 -0.27 0.00 0.00 36.82 40.22 1bde h ILE 60 CO 0.07 0.84 0.21 0.40 -1.05 0.00 0.00 178.15 178.61 1bde h ILE 61 N 0.11 0.70 -1.14 0.16 2.04 -0.61 0.33 117.51 119.11 1bde h ILE 61 Ca -0.26 -0.12 0.33 0.00 1.00 0.00 0.00 64.86 65.81 1bde h ILE 61 Cb 2.10 0.31 -0.11 0.00 -0.74 0.00 0.00 36.82 38.38 1bde h ILE 61 CO 0.22 0.07 0.73 -0.09 0.00 0.00 0.00 178.15 179.08 1bde h ARG 62 N 0.36 0.26 0.00 2.37 2.43 -0.65 0.55 114.38 119.71 1bde h ARG 62 Ca 0.33 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.30 1bde h ARG 62 Cb 0.46 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1bde h ARG 62 CO -0.36 0.17 -1.54 -0.89 -1.51 0.00 0.00 179.97 175.84 1bde n ILE 63 N -4.68 1.18 0.14 1.20 2.08 0.88 -1.91 119.36 118.25 1bde n ILE 63 Ca 0.30 -0.70 -0.01 0.00 0.56 0.00 0.00 62.75 62.90 1bde n ILE 63 Cb 1.10 -0.71 0.24 0.00 -0.75 0.00 0.00 39.64 39.52 1bde n ILE 63 CO 0.00 0.00 0.00 0.17 0.56 0.00 0.00 176.55 177.28 1bde h LEU 64 N 0.00 0.10 0.04 1.39 8.10 0.27 0.22 115.31 125.43 1bde h LEU 64 Ca -0.20 -0.04 -0.17 0.00 0.11 0.00 0.00 57.88 57.58 1bde h LEU 64 Cb 1.64 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 41.82 1bde h LEU 64 CO 0.04 0.56 -0.90 0.06 -4.11 0.00 0.00 178.44 174.09 1bde h GLN 65 N 0.07 0.09 -0.86 0.17 3.07 -1.07 0.63 115.11 117.22 1bde h GLN 65 Ca 0.00 -0.15 0.15 0.00 0.09 0.00 0.00 58.65 58.74 1bde h GLN 65 Cb 0.87 0.06 -0.06 0.00 0.08 0.00 0.00 27.48 28.43 1bde h GLN 65 CO 0.07 1.07 0.56 1.96 0.09 0.00 0.00 178.83 182.57 1bde h GLN 66 N -0.76 0.60 0.17 0.06 4.20 -1.26 0.50 115.11 118.61 1bde h GLN 66 Ca -0.22 -0.04 -0.31 0.00 0.06 0.00 0.00 58.65 58.15 1bde h GLN 66 Cb 1.37 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 29.02 1bde h GLN 66 CO -0.05 0.39 -1.42 -0.07 -0.67 0.00 0.00 178.83 177.01 1bde h LEU 67 N 0.61 0.56 -1.54 1.46 3.38 -0.63 -2.98 115.31 116.17 1bde h LEU 67 Ca 0.43 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1bde h LEU 67 Cb 0.76 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1bde h LEU 67 CO -0.18 1.52 0.00 0.25 0.09 0.00 0.00 178.44 180.11 1bde h LEU 68 N 0.10 0.00 -0.27 1.67 5.85 0.97 -0.50 115.31 123.13 1bde h LEU 68 Ca -0.21 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.31 1bde h LEU 68 Cb 2.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.07 1bde h LEU 68 CO 0.21 0.00 -0.88 -0.26 -0.34 0.00 0.00 178.44 177.17 1bde h PHE 69 N 0.00 0.28 -0.91 1.25 0.04 0.06 -3.29 116.94 114.36 1bde h PHE 69 Ca 0.00 -0.16 0.14 0.00 2.80 0.00 0.00 57.97 60.76 1bde h PHE 69 Cb 0.28 -0.03 -0.09 0.00 2.20 0.00 0.00 35.95 38.31 1bde h PHE 69 CO 0.00 0.98 0.52 0.82 -0.60 0.00 0.00 178.31 180.02 1bde h ILE 70 N 0.10 0.79 -0.13 -0.55 1.08 -1.05 0.23 117.51 117.97 1bde h ILE 70 Ca -0.04 -0.26 0.04 0.00 -0.39 0.00 0.00 64.86 64.21 1bde h ILE 70 Cb 1.52 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1bde h ILE 70 CO 0.13 0.14 0.19 1.12 -0.69 0.00 0.00 178.15 179.04 1bde h HIS 71 N 0.75 0.00 0.00 1.37 2.07 -1.67 0.55 115.15 118.23 1bde h HIS 71 Ca 0.49 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.99 1bde h HIS 71 Cb 0.64 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.61 1bde h HIS 71 CO -0.05 0.00 -0.43 0.35 -3.07 0.00 0.00 177.93 174.73 1bde h PHE 72 N 0.00 0.00 0.00 6.12 3.04 -0.75 0.33 116.94 125.67 1bde h PHE 72 Ca 0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1bde h PHE 72 Cb 0.44 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.95 1bde h PHE 72 CO 0.00 0.08 -0.88 0.00 -2.02 0.00 0.00 178.31 175.49 1bde h ARG 73 N 0.00 0.00 0.00 1.11 3.08 0.22 -3.27 114.38 115.51 1bde h ARG 73 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1bde h ARG 73 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1bde h ARG 73 CO 0.01 0.00 -0.61 -0.89 -1.07 0.00 0.00 179.97 177.41 1bde n ILE 74 N -2.54 1.18 0.11 2.04 -0.00 0.67 -4.04 119.36 116.78 1bde n ILE 74 Ca 0.01 0.24 -0.05 0.00 -0.00 0.00 0.00 62.75 62.95 1bde n ILE 74 Cb 0.52 -2.20 -0.03 0.00 -0.00 0.00 0.00 39.64 37.93 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 -0.81 -0.57 1.66 7.39 0.00 -0.54 0.13 103.07 110.33 1bde h GLY 75 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1bde h GLY 75 CO 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 176.54 176.46 1bde n ARG 77 N -2.02 0.76 0.00 0.00 0.63 -0.98 -4.71 116.66 110.33 1bde n ARG 77 Ca -0.01 -0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 1bde n ARG 77 Cb 0.14 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.64 1bde n ARG 77 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1bde n HIS 78 N -1.86 0.00 -2.67 -0.14 8.25 0.40 -5.02 115.22 114.18 1bde n HIS 78 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1bde n HIS 78 Cb 0.40 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1bde n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1bde n SER 79 N -1.83 0.00 -3.05 0.41 2.88 -1.26 -4.94 113.62 105.83 1bde n SER 79 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1bde n SER 79 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 3.19 -4.14 -1.46 3.00 -1.26 -4.62 116.66 111.37 1bde n ARG 80 Ca 0.00 -1.88 -0.28 0.00 -0.01 0.00 0.00 57.85 55.67 1bde n ARG 80 Cb 0.00 -2.60 -0.06 0.00 0.00 0.00 0.00 32.46 29.80 1bde n ARG 80 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1bde n ILE 81 N 3.45 -2.01 -0.89 0.55 2.08 -1.26 -5.30 119.36 115.98 1bde n ILE 81 Ca 0.68 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 63.51 1bde n ILE 81 Cb 0.34 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.40 1bde n ILE 81 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72