#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mbh n ILE 91 N 0.00 -0.62 -0.07 1.47 2.08 -1.26 -4.99 119.36 115.97 1mbh n ILE 91 Ca 0.00 0.57 0.00 0.00 0.56 0.00 0.00 62.75 63.88 1mbh n ILE 91 Cb 0.00 -0.86 0.00 0.00 -0.75 0.00 0.00 39.64 38.03 1mbh n ILE 91 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1mbh n LYS 92 N -3.26 0.93 -0.37 0.38 2.85 -1.26 -5.07 118.16 112.36 1mbh n LYS 92 Ca -0.05 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.09 1mbh n LYS 92 Cb 0.38 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 34.87 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mbh n GLY 93 N 4.91 -2.78 3.67 2.58 0.00 -1.26 -5.00 105.19 107.32 1mbh n GLY 93 Ca 0.00 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 1mbh n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mbh s PRO 94 N -3.99 1.05 0.68 1.61 0.04 -1.26 -4.98 135.00 128.16 1mbh s PRO 94 Ca 0.29 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.50 1mbh s PRO 94 Cb -0.03 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.77 1mbh s PRO 94 CO 0.22 -2.53 1.19 -1.58 0.04 0.00 0.00 177.00 174.34 1mbh s TRP 95 N -2.70 2.23 0.30 0.56 0.52 -1.26 -5.06 118.94 113.53 1mbh s TRP 95 Ca 0.65 1.57 0.05 0.00 0.02 0.00 0.00 56.10 58.40 1mbh s TRP 95 Cb -0.21 -3.42 -0.06 0.00 -1.15 0.00 0.00 33.47 28.62 1mbh s TRP 95 CO 0.58 -2.35 -0.01 0.95 0.02 0.00 0.00 176.95 176.14 1mbh s THR 96 N -1.95 1.46 0.20 2.01 -4.23 -1.26 -5.03 115.64 106.84 1mbh s THR 96 Ca 0.74 -2.07 -0.10 0.00 -1.18 0.00 0.00 61.69 59.08 1mbh s THR 96 Cb -0.28 -2.58 0.15 0.00 1.34 0.00 0.00 72.50 71.13 1mbh s THR 96 CO 0.42 -0.19 1.82 0.50 -0.54 0.00 0.00 174.62 176.62 1mbh h LYS 97 N 2.22 1.05 -0.39 3.99 1.63 -1.98 -0.03 116.57 123.06 1mbh h LYS 97 Ca -0.40 -0.13 -0.03 0.00 -0.85 0.00 0.00 60.65 59.24 1mbh h LYS 97 Cb 1.24 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.65 1mbh h LYS 97 CO 0.69 0.79 0.13 1.49 -3.45 0.00 0.00 179.45 179.10 1mbh h GLU 98 N 1.04 0.59 -0.67 1.90 4.57 -1.98 0.99 114.58 121.02 1mbh h GLU 98 Ca 0.26 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1mbh h GLU 98 Cb 0.05 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1mbh h GLU 98 CO -0.04 0.59 0.27 0.93 -1.18 0.00 0.00 179.01 179.57 1mbh h GLU 99 N 0.48 0.99 -0.35 1.92 5.08 -1.89 0.62 114.58 121.42 1mbh h GLU 99 Ca 0.13 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1mbh h GLU 99 Cb 0.23 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1mbh h GLU 99 CO -0.01 0.83 0.23 -0.44 -1.00 0.00 0.00 179.01 178.62 1mbh h ASP 100 N 0.94 0.42 -0.80 1.42 5.19 -0.74 -1.83 116.42 121.02 1mbh h ASP 100 Ca 0.22 -0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.65 1mbh h ASP 100 Cb 0.20 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.56 1mbh h ASP 100 CO -0.02 0.32 0.52 -0.61 -3.12 0.00 0.00 179.24 176.34 1mbh h GLN 101 N 0.47 0.92 -0.12 3.56 5.75 -0.22 -0.68 115.11 124.80 1mbh h GLN 101 Ca 0.13 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1mbh h GLN 101 Cb -0.03 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 1mbh h GLN 101 CO -0.03 0.61 0.07 -0.09 -2.65 0.00 0.00 178.83 176.74 1mbh h ARG 102 N 0.95 0.16 -0.32 1.69 9.65 -0.16 0.18 114.38 126.52 1mbh h ARG 102 Ca 0.33 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 1mbh h ARG 102 Cb 0.10 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 1mbh h ARG 102 CO -0.10 0.17 0.21 0.28 2.80 0.00 0.00 179.97 183.33 1mbh h VAL 103 N 0.11 1.08 -0.32 0.20 2.07 -0.63 -0.44 116.25 118.32 1mbh h VAL 103 Ca 0.04 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1mbh h VAL 103 Cb 0.05 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1mbh h VAL 103 CO -0.01 0.08 -0.03 0.40 0.02 0.00 0.00 177.57 178.03 1mbh h ILE 104 N 0.44 0.73 0.14 4.57 2.04 -0.91 0.82 117.51 125.33 1mbh h ILE 104 Ca 0.12 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1mbh h ILE 104 Cb -0.05 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1mbh h ILE 104 CO -0.03 0.01 -0.18 -0.08 0.00 0.00 0.00 178.15 177.88 1mbh h GLU 105 N 0.05 -0.35 -0.73 2.37 4.81 -0.54 -0.01 114.58 120.19 1mbh h GLU 105 Ca 0.16 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1mbh h GLU 105 Cb 0.22 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1mbh h GLU 105 CO -0.29 -0.23 0.36 -0.07 -0.73 0.00 0.00 179.01 178.05 1mbh h LEU 106 N -0.36 0.94 -0.46 1.64 3.38 -0.71 0.19 115.31 119.93 1mbh h LEU 106 Ca 0.01 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1mbh h LEU 106 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1mbh h LEU 106 CO -0.07 0.78 -0.23 0.58 0.09 0.00 0.00 178.44 179.60 1mbh h VAL 107 N 1.04 1.27 -0.36 1.22 2.07 -0.59 0.38 116.25 121.27 1mbh h VAL 107 Ca 0.26 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 1mbh h VAL 107 Cb 0.09 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1mbh h VAL 107 CO -0.03 0.48 -0.13 -0.61 0.02 0.00 0.00 177.57 177.29 1mbh h GLN 108 N 0.82 0.64 0.48 1.57 4.15 -0.44 0.14 115.11 122.47 1mbh h GLN 108 Ca 0.10 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1mbh h GLN 108 Cb 0.81 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1mbh h GLN 108 CO 0.07 0.75 -0.23 -0.22 -1.93 0.00 0.00 178.83 177.26 1mbh h LYS 109 N 0.58 -0.63 0.00 1.69 3.64 -0.29 -3.41 116.57 118.15 1mbh h LYS 109 Ca 0.10 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1mbh h LYS 109 Cb 0.56 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1mbh h LYS 109 CO 0.04 -0.42 -0.09 1.88 -2.27 0.00 0.00 179.45 178.59 1mbh h TYR 110 N -0.93 0.00 0.00 1.91 0.05 -0.98 -3.51 116.97 113.51 1mbh h TYR 110 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1mbh h TYR 110 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1mbh h TYR 110 CO 0.04 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.56 1mbh n GLY 111 N 1.79 -1.37 3.50 3.88 0.00 0.50 -5.03 105.19 108.46 1mbh n GLY 111 Ca -0.01 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 1mbh n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mbh s PRO 112 N -1.69 -0.93 4.10 1.61 0.04 -1.26 -4.55 135.00 132.33 1mbh s PRO 112 Ca 0.00 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1mbh s PRO 112 Cb 0.00 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1mbh s PRO 112 CO 0.00 -3.70 0.00 1.63 0.04 0.00 0.00 177.00 174.97 1mbh n LYS 113 N -4.89 0.00 -3.89 4.56 5.02 -1.26 -4.89 118.16 112.81 1mbh n LYS 113 Ca 0.03 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.03 1mbh n LYS 113 Cb 0.55 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.58 1mbh n LYS 113 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1mbh n ARG 114 N 0.79 -5.16 0.23 1.97 1.74 -1.26 -4.84 116.66 110.14 1mbh n ARG 114 Ca 0.00 0.58 0.16 0.00 -0.77 0.00 0.00 57.85 57.82 1mbh n ARG 114 Cb 0.00 -5.35 0.72 0.00 -1.02 0.00 0.00 32.46 26.80 1mbh n ARG 114 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1mbh h TRP 115 N -2.00 0.00 -0.22 -1.55 4.06 -1.95 -2.03 115.95 112.26 1mbh h TRP 115 Ca -0.59 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.30 1mbh h TRP 115 Cb 1.37 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.53 1mbh h TRP 115 CO 0.55 0.00 -0.11 1.03 -3.56 0.00 0.00 178.44 176.35 1mbh h SER 116 N 0.00 0.47 -0.05 -3.49 0.87 -1.92 1.00 113.55 110.44 1mbh h SER 116 Ca 0.00 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1mbh h SER 116 Cb 0.32 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1mbh h SER 116 CO 0.00 0.78 -0.00 0.58 -0.53 0.00 0.00 176.83 177.65 1mbh h VAL 117 N 0.17 1.27 -0.34 2.23 2.07 -1.77 -1.92 116.25 117.95 1mbh h VAL 117 Ca 0.05 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1mbh h VAL 117 Cb 0.60 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1mbh h VAL 117 CO 0.03 0.23 0.19 0.40 0.02 0.00 0.00 177.57 178.44 1mbh h ILE 118 N -0.23 1.03 -1.01 4.57 2.04 -1.41 -2.19 117.51 120.32 1mbh h ILE 118 Ca 0.01 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.80 1mbh h ILE 118 Cb 0.36 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 1mbh h ILE 118 CO 0.00 0.07 0.65 0.00 0.00 0.00 0.00 178.15 178.88 1mbh h ALA 119 N 1.15 1.39 -0.62 1.87 0.00 -0.77 0.14 119.26 122.43 1mbh h ALA 119 Ca 0.13 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.14 1mbh h ALA 119 Cb 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1mbh h ALA 119 CO -0.07 0.47 0.42 -0.22 0.00 0.00 0.00 179.25 179.86 1mbh h LYS 120 N 1.20 0.27 0.07 0.00 3.64 -0.69 -1.75 116.57 119.31 1mbh h LYS 120 Ca 0.43 -0.02 -0.33 0.00 -1.27 0.00 0.00 60.65 59.46 1mbh h LYS 120 Cb 0.13 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1mbh h LYS 120 CO -0.16 0.18 -1.82 0.45 -2.27 0.00 0.00 179.45 175.82 1mbh h HIS 121 N 0.28 0.28 -0.70 1.91 3.86 -0.98 -3.37 115.15 116.42 1mbh h HIS 121 Ca 0.29 -0.21 -0.72 0.00 -1.16 0.00 0.00 60.37 58.58 1mbh h HIS 121 Cb 0.77 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 29.16 1mbh h HIS 121 CO -0.00 1.42 2.87 1.28 0.86 0.00 0.00 177.93 184.36 1mbh n LEU 122 N -3.30 7.86 -4.67 2.43 7.99 0.36 -4.97 117.00 122.70 1mbh n LEU 122 Ca -0.24 -4.59 -0.52 0.00 -0.01 0.00 0.00 56.01 50.65 1mbh n LEU 122 Cb 1.05 -1.48 -0.06 0.00 -0.11 0.00 0.00 43.42 42.82 1mbh n LEU 122 CO 0.45 1.82 1.23 0.29 -1.51 0.00 0.00 177.39 179.67 1mbh n LYS 123 N 3.24 1.54 0.00 3.23 5.02 -1.20 -1.09 118.16 128.89 1mbh n LYS 123 Ca 0.62 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 57.47 1mbh n LYS 123 Cb 0.28 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 1mbh n LYS 123 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mbh n GLY 124 N 3.69 2.28 3.54 0.72 0.00 -1.26 -5.02 105.19 109.14 1mbh n GLY 124 Ca 0.22 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1mbh n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mbh s ARG 125 N 0.00 3.54 1.18 1.61 1.81 -0.25 -4.19 118.95 122.64 1mbh s ARG 125 Ca 0.00 -0.36 -0.17 0.00 -1.72 0.00 0.00 55.73 53.48 1mbh s ARG 125 Cb 0.00 -3.82 0.27 0.00 -0.45 0.00 0.00 34.95 30.95 1mbh s ARG 125 CO 0.00 -0.60 1.07 0.96 -0.68 0.00 0.00 175.30 176.05 1mbh s ILE 126 N 2.16 1.70 -1.22 1.52 -4.36 -1.26 -4.64 121.20 115.11 1mbh s ILE 126 Ca 0.14 0.00 -0.08 0.00 -0.26 0.00 0.00 60.65 60.45 1mbh s ILE 126 Cb -0.16 -2.38 -0.09 0.00 1.25 0.00 0.00 42.46 41.07 1mbh s ILE 126 CO 0.12 0.00 2.71 0.61 0.24 0.00 0.00 174.94 178.62 1mbh n GLY 127 N -0.47 3.71 2.00 6.27 0.00 -1.26 -3.11 105.19 112.33 1mbh n GLY 127 Ca 0.10 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1mbh n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mbh n LYS 128 N 3.67 0.00 -0.10 1.61 4.81 -1.26 -4.87 118.16 122.01 1mbh n LYS 128 Ca 0.63 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 58.01 1mbh n LYS 128 Cb 0.26 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.44 1mbh n LYS 128 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1mbh h GLN 129 N 0.00 0.78 -0.34 1.64 1.08 -1.89 0.81 115.11 117.19 1mbh h GLN 129 Ca 0.00 -0.25 0.02 0.00 -1.45 0.00 0.00 58.65 56.97 1mbh h GLN 129 Cb 0.00 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1mbh h GLN 129 CO 0.00 0.84 0.19 0.00 -0.95 0.00 0.00 178.83 178.91 1mbh h ARG 131 N 0.39 0.19 0.16 0.00 1.12 -1.81 -2.77 114.38 111.67 1mbh h ARG 131 Ca 0.14 -0.04 0.01 0.00 -1.11 0.00 0.00 59.98 58.97 1mbh h ARG 131 Cb 0.02 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 29.91 1mbh h ARG 131 CO -0.07 0.35 -0.51 1.49 -3.11 0.00 0.00 179.97 178.12 1mbh h GLU 132 N -0.01 -0.73 -0.79 0.20 4.81 -0.50 0.64 114.58 118.20 1mbh h GLU 132 Ca 0.04 0.05 0.18 0.00 -0.13 0.00 0.00 59.36 59.50 1mbh h GLU 132 Cb 0.25 0.17 -0.14 0.00 0.63 0.00 0.00 28.75 29.66 1mbh h GLU 132 CO 0.00 -0.49 0.00 -0.09 -0.73 0.00 0.00 179.01 177.71 1mbh h ARG 133 N -0.76 0.09 -0.39 1.92 9.65 -0.91 -0.74 114.38 123.24 1mbh h ARG 133 Ca -0.01 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 1mbh h ARG 133 Cb 0.75 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 1mbh h ARG 133 CO -0.25 0.06 0.03 2.35 2.80 0.00 0.00 179.97 184.96 1mbh h TRP 134 N 0.09 0.72 -0.19 2.20 2.91 -1.07 -2.47 115.95 118.15 1mbh h TRP 134 Ca 0.43 -0.12 0.00 0.00 1.13 0.00 0.00 58.89 60.34 1mbh h TRP 134 Cb 0.78 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.24 1mbh h TRP 134 CO -0.44 0.73 0.00 0.72 -1.03 0.00 0.00 178.44 178.43 1mbh n HIS 135 N -4.49 0.60 0.02 2.65 8.25 0.15 -4.12 115.22 118.27 1mbh n HIS 135 Ca -0.01 -0.22 -0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1mbh n HIS 135 Cb 0.26 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 1mbh n HIS 135 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1mbh n ASN 136 N 0.19 0.47 0.00 0.41 3.02 -0.75 -5.02 115.26 113.59 1mbh n ASN 136 Ca 0.09 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1mbh n ASN 136 Cb 0.49 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1mbh n ASN 136 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1mbh n HIS 137 N -2.92 0.00 -1.64 3.10 8.25 -0.95 -4.94 115.22 116.12 1mbh n HIS 137 Ca -0.00 0.00 -0.55 0.00 -0.26 0.00 0.00 57.72 56.91 1mbh n HIS 137 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.05 1mbh n HIS 137 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1mbh n LEU 138 N 0.00 1.89 -3.16 2.41 -0.00 -1.26 -4.92 117.00 111.95 1mbh n LEU 138 Ca 0.00 1.10 -0.18 0.00 -0.00 0.00 0.00 56.01 56.93 1mbh n LEU 138 Cb 0.00 -1.15 -0.03 0.00 -0.00 0.00 0.00 43.42 42.24 1mbh n LEU 138 CO 0.00 -0.81 -0.20 -3.20 -0.00 0.00 0.00 177.39 173.17 1mbh n ASN 139 N 3.73 0.55 0.39 1.45 2.85 -1.26 -4.62 115.26 118.35 1mbh n ASN 139 Ca 0.22 -3.01 -0.15 0.00 -0.11 0.00 0.00 54.58 51.52 1mbh n ASN 139 Cb 0.15 -0.46 -0.07 0.00 1.24 0.00 0.00 39.78 40.64 1mbh n ASN 139 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1mbh h PRO 140 N 3.13 -0.97 -0.00 1.20 0.13 -1.91 -3.52 132.00 130.06 1mbh h PRO 140 Ca 0.08 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1mbh h PRO 140 Cb 0.97 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1mbh h PRO 140 CO 0.47 -0.64 0.00 0.39 -0.23 0.00 0.00 178.00 177.99