#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 -5.50 -2.88 -0.08 2.08 -1.26 -4.91 119.36 106.82 1mbh n ILE 91 Ca 0.00 -0.56 -0.43 0.00 0.56 0.00 0.00 62.75 62.32 1mbh n ILE 91 Cb 0.00 -4.53 -0.02 0.00 -0.75 0.00 0.00 39.64 34.34 1mbh n ILE 91 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1mbh s LYS 92 N -5.60 3.65 0.46 0.38 2.20 -1.26 -5.01 119.74 114.57 1mbh s LYS 92 Ca 0.04 -1.76 -0.08 0.00 -0.36 0.00 0.00 55.97 53.81 1mbh s LYS 92 Cb -0.01 -5.00 0.11 0.00 -1.51 0.00 0.00 37.83 31.42 1mbh s LYS 92 CO 0.77 -1.83 0.56 0.41 -0.36 0.00 0.00 175.35 174.89 1mbh n GLY 93 N 5.54 -1.63 0.00 5.54 0.00 -1.26 -4.92 105.19 108.46 1mbh n GLY 93 Ca 0.27 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.77 1mbh n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mbh n PRO 94 N -2.43 0.72 -1.32 1.61 -0.04 -1.26 -5.00 135.00 127.28 1mbh n PRO 94 Ca 0.07 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.71 1mbh n PRO 94 Cb 0.26 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.19 1mbh n PRO 94 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1mbh n TRP 95 N -0.97 -3.34 -4.19 0.54 7.02 -1.26 -4.99 117.44 110.24 1mbh n TRP 95 Ca 0.16 1.69 -0.12 0.00 -1.02 0.00 0.00 57.50 58.22 1mbh n TRP 95 Cb 0.08 -3.03 -0.10 0.00 -2.42 0.00 0.00 31.31 25.83 1mbh n TRP 95 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1mbh s THR 96 N -2.46 0.87 0.23 -0.99 -4.23 -1.26 -5.04 115.64 102.76 1mbh s THR 96 Ca 0.00 -1.93 -0.06 0.00 -1.18 0.00 0.00 61.69 58.52 1mbh s THR 96 Cb 0.00 -1.68 0.19 0.00 1.34 0.00 0.00 72.50 72.35 1mbh s THR 96 CO 0.00 -0.79 1.82 0.50 -0.54 0.00 0.00 174.62 175.60 1mbh h LYS 97 N 2.99 0.78 -0.26 3.99 3.64 -1.99 0.28 116.57 126.01 1mbh h LYS 97 Ca -0.36 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 58.78 1mbh h LYS 97 Cb 1.18 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1mbh h LYS 97 CO 0.63 0.51 -0.58 1.49 -2.27 0.00 0.00 179.45 179.23 1mbh h GLU 98 N 0.80 0.85 -0.32 1.90 4.57 -1.98 0.11 114.58 120.51 1mbh h GLU 98 Ca 0.36 -0.57 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1mbh h GLU 98 Cb 0.27 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1mbh h GLU 98 CO -0.21 1.20 0.20 1.49 -1.18 0.00 0.00 179.01 180.51 1mbh h GLU 99 N 0.63 0.43 -0.40 1.92 4.81 -1.85 -1.44 114.58 118.68 1mbh h GLU 99 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1mbh h GLU 99 Cb 1.20 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1mbh h GLU 99 CO 0.13 0.32 0.20 -0.44 -0.73 0.00 0.00 179.01 178.48 1mbh h ASP 100 N 0.42 0.52 -0.89 1.04 3.32 -0.86 -2.36 116.42 117.61 1mbh h ASP 100 Ca 0.12 -0.12 0.15 0.00 0.02 0.00 0.00 57.03 57.20 1mbh h ASP 100 Cb -0.01 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.34 1mbh h ASP 100 CO -0.02 0.49 0.57 -0.61 -1.72 0.00 0.00 179.24 177.95 1mbh h GLN 101 N 0.50 0.63 0.20 3.56 5.75 -0.38 0.00 115.11 125.38 1mbh h GLN 101 Ca 0.14 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 1mbh h GLN 101 Cb 0.11 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.52 1mbh h GLN 101 CO -0.02 0.41 -0.10 -0.09 -2.65 0.00 0.00 178.83 176.39 1mbh h ARG 102 N 0.64 -0.26 -0.25 1.69 9.65 -0.73 -0.88 114.38 124.24 1mbh h ARG 102 Ca 0.45 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.38 1mbh h ARG 102 Cb 0.78 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.39 1mbh h ARG 102 CO -0.20 -0.12 0.07 0.28 2.80 0.00 0.00 179.97 182.79 1mbh h VAL 103 N -0.34 0.91 -0.26 0.20 2.07 -0.98 0.45 116.25 118.30 1mbh h VAL 103 Ca -0.03 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1mbh h VAL 103 Cb 0.26 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1mbh h VAL 103 CO 0.05 0.03 -0.24 0.40 0.02 0.00 0.00 177.57 177.83 1mbh h ILE 104 N 0.17 0.39 0.13 4.57 2.04 -0.90 0.18 117.51 124.09 1mbh h ILE 104 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1mbh h ILE 104 Cb 0.10 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1mbh h ILE 104 CO -0.13 0.00 -0.06 -0.08 0.00 0.00 0.00 178.15 177.88 1mbh h GLU 105 N -0.23 -0.16 -0.40 2.37 4.22 -0.76 -0.60 114.58 119.02 1mbh h GLU 105 Ca 0.14 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.59 1mbh h GLU 105 Cb 0.45 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1mbh h GLU 105 CO -0.40 -0.06 0.21 -0.07 -2.18 0.00 0.00 179.01 176.51 1mbh h LEU 106 N -0.23 0.48 -0.01 1.64 3.38 -0.52 0.40 115.31 120.45 1mbh h LEU 106 Ca -0.02 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1mbh h LEU 106 Cb 0.18 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1mbh h LEU 106 CO 0.03 0.40 -0.43 0.58 0.09 0.00 0.00 178.44 179.11 1mbh h VAL 107 N 0.55 1.47 -0.45 1.22 2.07 -0.46 -0.09 116.25 120.56 1mbh h VAL 107 Ca 0.14 -1.97 -0.00 0.00 0.82 0.00 0.00 66.70 65.69 1mbh h VAL 107 Cb 0.03 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1mbh h VAL 107 CO -0.02 0.56 0.26 -0.61 0.02 0.00 0.00 177.57 177.78 1mbh h GLN 108 N -0.25 0.60 0.14 1.57 4.15 -0.80 0.71 115.11 121.24 1mbh h GLN 108 Ca -0.05 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1mbh h GLN 108 Cb 1.14 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.70 1mbh h GLN 108 CO 0.08 0.43 -0.07 -0.22 -1.93 0.00 0.00 178.83 177.13 1mbh h LYS 109 N 0.62 -0.18 0.00 1.69 3.64 -0.88 -3.42 116.57 118.03 1mbh h LYS 109 Ca 0.16 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1mbh h LYS 109 Cb -0.01 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1mbh h LYS 109 CO -0.03 -0.12 0.00 0.66 -2.27 0.00 0.00 179.45 177.69 1mbh n TYR 110 N -3.80 0.00 0.00 1.91 4.01 -0.05 -5.09 117.16 114.13 1mbh n TYR 110 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1mbh n TYR 110 Cb 0.07 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 1mbh n TYR 110 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mbh n GLY 111 N 1.58 3.51 3.72 2.72 0.00 0.24 -5.03 105.19 111.93 1mbh n GLY 111 Ca 0.00 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.38 1.53 -1.04 1.61 0.04 -1.26 -3.98 135.00 129.52 1mbh s PRO 112 Ca 0.00 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 1mbh s PRO 112 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1mbh s PRO 112 CO 0.00 -2.16 0.88 1.63 0.04 0.00 0.00 177.00 177.39 1mbh n LYS 113 N -3.87 -5.88 -2.67 4.56 4.76 -1.26 -4.95 118.16 108.85 1mbh n LYS 113 Ca 0.09 0.69 -0.08 0.00 -2.87 0.00 0.00 58.31 56.14 1mbh n LYS 113 Cb 0.53 -5.27 0.03 0.00 -1.84 0.00 0.00 35.03 28.48 1mbh n LYS 113 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1mbh n ARG 114 N -3.82 1.67 0.24 1.97 1.74 -1.26 -4.91 116.66 112.30 1mbh n ARG 114 Ca -0.14 -3.49 0.10 0.00 -0.77 0.00 0.00 57.85 53.54 1mbh n ARG 114 Cb 0.61 -1.51 0.61 0.00 -1.02 0.00 0.00 32.46 31.14 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 2.78 0.00 0.00 -1.55 4.06 -1.92 -0.94 115.95 118.38 1mbh h TRP 115 Ca -0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1mbh h TRP 115 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1mbh h TRP 115 CO 0.54 0.18 0.00 0.77 -3.56 0.00 0.00 178.44 176.38 1mbh h SER 116 N 0.00 0.00 0.00 -3.49 0.02 -1.93 0.20 113.55 108.35 1mbh h SER 116 Ca -0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 1mbh h SER 116 Cb 0.43 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.91 1mbh h SER 116 CO 0.02 0.00 -2.27 0.52 -1.14 0.00 0.00 176.83 173.96 1mbh n VAL 117 N -2.67 1.27 -0.23 2.27 0.31 -0.52 -4.18 118.33 114.57 1mbh n VAL 117 Ca 0.00 -0.41 -0.01 0.00 -0.01 0.00 0.00 64.34 63.91 1mbh n VAL 117 Cb 0.19 -1.52 0.21 0.00 -0.91 0.00 0.00 33.84 31.81 1mbh n VAL 117 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1mbh h ILE 118 N -0.38 1.21 -0.60 2.52 2.04 -1.15 -2.46 117.51 118.69 1mbh h ILE 118 Ca -0.54 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 64.78 1mbh h ILE 118 Cb 1.65 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1mbh h ILE 118 CO -0.21 0.22 0.06 0.00 0.00 0.00 0.00 178.15 178.22 1mbh h ALA 119 N 1.46 0.97 -0.72 1.87 0.00 -1.18 -0.75 119.26 120.90 1mbh h ALA 119 Ca 0.27 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1mbh h ALA 119 Cb -0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1mbh h ALA 119 CO -0.05 0.64 0.48 0.87 0.00 0.00 0.00 179.25 181.19 1mbh h LYS 120 N 0.94 0.53 0.04 0.00 1.57 -1.60 -2.54 116.57 115.50 1mbh h LYS 120 Ca 0.18 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.80 1mbh h LYS 120 Cb 0.46 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1mbh h LYS 120 CO 0.02 0.35 -0.67 0.45 -0.57 0.00 0.00 179.45 179.02 1mbh h HIS 121 N 0.54 0.16 -0.90 -1.35 3.86 -1.44 -3.37 115.15 112.66 1mbh h HIS 121 Ca 0.34 -0.12 -0.74 0.00 -1.16 0.00 0.00 60.37 58.69 1mbh h HIS 121 Cb 0.59 -0.01 -0.11 0.00 1.06 0.00 0.00 27.41 28.94 1mbh h HIS 121 CO -0.00 1.26 2.42 1.28 0.86 0.00 0.00 177.93 183.75 1mbh n LEU 122 N -4.37 6.77 -4.67 2.43 4.77 -0.32 -4.98 117.00 116.63 1mbh n LEU 122 Ca -0.18 -4.48 -0.45 0.00 -0.03 0.00 0.00 56.01 50.87 1mbh n LEU 122 Cb 0.65 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.18 1mbh n LEU 122 CO 0.34 1.31 1.00 0.29 -1.33 0.00 0.00 177.39 179.00 1mbh n LYS 123 N 4.57 2.00 0.00 3.23 5.02 -1.16 -1.49 118.16 130.33 1mbh n LYS 123 Ca 0.44 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.45 1mbh n LYS 123 Cb 0.37 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 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 2.13 3.08 3.43 0.72 0.00 -1.26 -4.97 105.19 108.32 1mbh n GLY 124 Ca 0.12 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 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 3.59 1.34 1.61 1.81 -0.55 -5.03 118.95 121.71 1mbh s ARG 125 Ca 0.00 -1.86 -0.19 0.00 -1.72 0.00 0.00 55.73 51.96 1mbh s ARG 125 Cb 0.00 -4.81 0.34 0.00 -0.45 0.00 0.00 34.95 30.03 1mbh s ARG 125 CO 0.00 -1.69 0.96 0.96 -0.68 0.00 0.00 175.30 174.85 1mbh s ILE 126 N 2.27 1.50 -1.08 1.52 -4.36 -1.26 -4.50 121.20 115.29 1mbh s ILE 126 Ca 0.30 0.00 -0.13 0.00 -0.26 0.00 0.00 60.65 60.55 1mbh s ILE 126 Cb -0.06 -2.05 -0.08 0.00 1.25 0.00 0.00 42.46 41.53 1mbh s ILE 126 CO -0.09 0.00 2.20 0.61 0.24 0.00 0.00 174.94 177.90 1mbh n GLY 127 N 1.27 3.35 1.70 6.27 0.00 -1.26 -2.81 105.19 113.71 1mbh n GLY 127 Ca 0.08 -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 5.41 0.00 -0.14 1.61 4.81 -1.26 -4.83 118.16 123.76 1mbh n LYS 128 Ca 0.53 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.85 1mbh n LYS 128 Cb 0.29 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.32 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 0.86 -0.30 1.64 4.20 -1.84 0.38 115.11 120.05 1mbh h GLN 129 Ca 0.00 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 1mbh h GLN 129 Cb 0.00 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1mbh h GLN 129 CO 0.00 1.01 0.14 0.00 -0.67 0.00 0.00 178.83 179.31 1mbh h ARG 131 N 0.35 0.10 0.50 0.00 1.12 -1.81 -1.77 114.38 112.88 1mbh h ARG 131 Ca 0.10 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.94 1mbh h ARG 131 Cb 0.13 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 1mbh h ARG 131 CO -0.01 0.07 -0.29 0.93 -3.11 0.00 0.00 179.97 177.56 1mbh h GLU 132 N 0.10 -0.70 -0.97 0.20 5.08 -0.68 0.24 114.58 117.85 1mbh h GLU 132 Ca 0.09 0.05 0.21 0.00 -1.00 0.00 0.00 59.36 58.71 1mbh h GLU 132 Cb 0.10 0.16 -0.18 0.00 0.50 0.00 0.00 28.75 29.32 1mbh h GLU 132 CO -0.13 -0.47 -0.17 -2.13 -1.00 0.00 0.00 179.01 175.10 1mbh n ARG 133 N -4.13 -0.08 0.39 2.33 3.00 0.22 -0.53 116.66 117.86 1mbh n ARG 133 Ca -0.09 1.50 -0.15 0.00 -0.00 0.00 0.00 57.85 59.11 1mbh n ARG 133 Cb 0.30 -2.27 -0.07 0.00 0.00 0.00 0.00 32.46 30.41 1mbh n ARG 133 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 1mbh h TRP 134 N 0.00 -0.92 -0.59 -0.14 2.91 -1.14 -2.46 115.95 113.60 1mbh h TRP 134 Ca 0.50 -0.02 -0.34 0.00 1.13 0.00 0.00 58.89 60.15 1mbh h TRP 134 Cb 0.84 0.31 -0.13 0.00 -0.51 0.00 0.00 29.16 29.67 1mbh h TRP 134 CO -0.68 -0.57 0.19 0.72 -1.03 0.00 0.00 178.44 177.07 1mbh n HIS 135 N -4.90 1.09 0.00 2.65 8.25 0.06 -3.14 115.22 119.23 1mbh n HIS 135 Ca -0.12 -1.77 0.00 0.00 -0.26 0.00 0.00 57.72 55.57 1mbh n HIS 135 Cb 0.39 -1.24 0.00 0.00 1.12 0.00 0.00 29.99 30.26 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 1.14 0.00 0.00 0.41 5.03 0.31 -4.86 115.26 117.29 1mbh n ASN 136 Ca 0.38 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.83 1mbh n ASN 136 Cb 0.63 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.39 1mbh n ASN 136 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1mbh n HIS 137 N -2.31 0.00 -0.01 3.10 1.44 -1.19 -5.08 115.22 111.17 1mbh n HIS 137 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1mbh n HIS 137 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1mbh n LEU 138 N -1.05 0.00 -2.43 2.39 -0.00 -0.93 -4.91 117.00 110.07 1mbh n LEU 138 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1mbh n LEU 138 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 1mbh n LEU 138 CO 0.00 0.00 0.20 -3.20 -0.00 0.00 0.00 177.39 174.39 1mbh n ASN 139 N 0.00 -5.50 0.11 1.96 5.15 -1.20 -4.77 115.26 111.01 1mbh n ASN 139 Ca 0.00 -0.01 -0.03 0.00 -0.60 0.00 0.00 54.58 53.94 1mbh n ASN 139 Cb 0.00 -3.60 0.05 0.00 -0.53 0.00 0.00 39.78 35.71 1mbh n ASN 139 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1mbh h PRO 140 N 0.35 0.00 0.00 1.20 0.13 -1.92 -3.51 132.00 128.25 1mbh h PRO 140 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1mbh h PRO 140 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1mbh h PRO 140 CO 0.18 0.75 0.00 0.39 -0.23 0.00 0.00 178.00 179.09