#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 3.33 -2.27 -0.08 2.08 -1.26 -4.72 119.36 116.44 1mbh n ILE 91 Ca 0.00 -3.09 -0.35 0.00 0.56 0.00 0.00 62.75 59.87 1mbh n ILE 91 Cb 0.00 -2.49 0.02 0.00 -0.75 0.00 0.00 39.64 36.42 1mbh n ILE 91 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1mbh n LYS 92 N 6.88 3.35 -1.37 0.38 4.81 -1.26 -4.74 118.16 126.20 1mbh n LYS 92 Ca 0.51 -4.08 -0.31 0.00 -0.87 0.00 0.00 58.31 53.56 1mbh n LYS 92 Cb 0.41 -2.29 0.08 0.00 0.02 0.00 0.00 35.03 33.26 1mbh n LYS 92 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mbh s GLY 93 N -2.06 1.66 0.06 3.14 0.00 -1.26 -4.92 107.32 103.95 1mbh s GLY 93 Ca 0.49 0.15 -0.35 0.00 0.00 0.00 0.00 44.72 45.00 1mbh s GLY 93 CO -0.29 0.50 1.57 -1.05 0.00 0.00 0.00 173.10 173.83 1mbh n PRO 94 N -3.42 1.77 -1.91 2.90 -0.02 -1.26 -4.91 135.00 128.14 1mbh n PRO 94 Ca 0.08 0.64 -0.36 0.00 -2.02 0.00 0.00 63.50 61.84 1mbh n PRO 94 Cb 0.54 -2.38 0.05 0.00 -0.02 0.00 0.00 33.50 31.69 1mbh n PRO 94 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mbh s TRP 95 N 1.50 2.28 0.22 6.00 0.52 -1.26 -5.04 118.94 123.16 1mbh s TRP 95 Ca 0.84 1.50 0.11 0.00 0.02 0.00 0.00 56.10 58.58 1mbh s TRP 95 Cb -0.80 -3.57 -0.05 0.00 -1.15 0.00 0.00 33.47 27.91 1mbh s TRP 95 CO 0.45 -2.49 -0.21 0.95 0.02 0.00 0.00 176.95 175.68 1mbh s THR 96 N -1.51 2.51 0.26 2.01 -4.23 -1.26 -5.03 115.64 108.40 1mbh s THR 96 Ca 0.79 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 59.18 1mbh s THR 96 Cb -0.33 -2.25 0.25 0.00 1.34 0.00 0.00 72.50 71.51 1mbh s THR 96 CO 0.36 -0.21 1.84 0.50 -0.54 0.00 0.00 174.62 176.57 1mbh h LYS 97 N 2.85 0.96 -0.19 3.99 3.64 -1.98 -0.29 116.57 125.54 1mbh h LYS 97 Ca -0.44 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1mbh h LYS 97 Cb 1.22 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1mbh h LYS 97 CO 0.53 0.64 0.09 1.49 -2.27 0.00 0.00 179.45 179.92 1mbh h GLU 98 N 0.99 0.29 -0.15 1.90 4.22 -1.99 0.22 114.58 120.05 1mbh h GLU 98 Ca 0.44 -0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.86 1mbh h GLU 98 Cb 0.34 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1mbh h GLU 98 CO -0.23 0.33 -0.01 0.93 -2.18 0.00 0.00 179.01 177.85 1mbh h GLU 99 N 0.18 0.03 -0.88 1.92 4.39 -1.78 -2.04 114.58 116.40 1mbh h GLU 99 Ca 0.07 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1mbh h GLU 99 Cb 0.14 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1mbh h GLU 99 CO -0.01 0.02 0.58 -0.44 -1.16 0.00 0.00 179.01 178.01 1mbh h ASP 100 N 0.03 1.02 -0.84 1.42 3.32 -0.85 -2.54 116.42 117.98 1mbh h ASP 100 Ca 0.07 -0.03 0.14 0.00 0.02 0.00 0.00 57.03 57.23 1mbh h ASP 100 Cb 0.09 -0.25 -0.09 0.00 0.22 0.00 0.00 39.33 39.30 1mbh h ASP 100 CO -0.13 0.74 0.43 -0.61 -1.72 0.00 0.00 179.24 177.95 1mbh h GLN 101 N 1.20 0.62 -0.47 3.56 5.75 0.17 -0.43 115.11 125.50 1mbh h GLN 101 Ca 0.32 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.70 1mbh h GLN 101 Cb -0.13 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.26 1mbh h GLN 101 CO -0.07 0.41 -0.03 0.00 -2.65 0.00 0.00 178.83 176.49 1mbh h ARG 102 N 0.64 0.86 -0.11 1.69 3.08 -1.27 -2.92 114.38 116.35 1mbh h ARG 102 Ca 0.45 -0.29 0.02 0.00 0.07 0.00 0.00 59.98 60.23 1mbh h ARG 102 Cb 0.61 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1mbh h ARG 102 CO -0.35 0.92 -0.02 0.28 -1.07 0.00 0.00 179.97 179.73 1mbh h VAL 103 N 0.71 0.90 -0.24 2.04 2.07 -1.01 0.11 116.25 120.83 1mbh h VAL 103 Ca 0.13 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.71 1mbh h VAL 103 Cb 0.56 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 1mbh h VAL 103 CO 0.03 0.00 -0.30 0.40 0.02 0.00 0.00 177.57 177.72 1mbh h ILE 104 N 0.00 0.30 0.51 4.57 2.04 -1.17 0.20 117.51 123.97 1mbh h ILE 104 Ca 0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1mbh h ILE 104 Cb 0.08 0.30 0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1mbh h ILE 104 CO -0.11 0.00 -0.25 -0.08 0.00 0.00 0.00 178.15 177.72 1mbh h GLU 105 N -0.31 -0.67 -0.79 2.37 4.22 -1.31 -1.21 114.58 116.88 1mbh h GLU 105 Ca 0.13 0.05 0.06 0.00 0.08 0.00 0.00 59.36 59.68 1mbh h GLU 105 Cb 0.52 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1mbh h GLU 105 CO -0.41 -0.39 0.52 -0.07 -2.18 0.00 0.00 179.01 176.48 1mbh h LEU 106 N -0.82 0.76 -0.18 1.64 3.38 -0.78 -0.26 115.31 119.05 1mbh h LEU 106 Ca -0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1mbh h LEU 106 Cb 0.58 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1mbh h LEU 106 CO 0.12 0.49 -0.18 0.58 0.09 0.00 0.00 178.44 179.53 1mbh h VAL 107 N 0.86 1.33 -0.18 1.22 2.07 -0.54 0.11 116.25 121.13 1mbh h VAL 107 Ca 0.34 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.54 1mbh h VAL 107 Cb 0.23 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1mbh h VAL 107 CO -0.12 0.41 0.12 -0.61 0.02 0.00 0.00 177.57 177.39 1mbh h GLN 108 N 0.11 0.10 0.04 1.57 4.15 -0.43 0.37 115.11 121.01 1mbh h GLN 108 Ca 0.03 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1mbh h GLN 108 Cb 0.73 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1mbh h GLN 108 CO 0.05 0.07 -0.02 -0.22 -1.93 0.00 0.00 178.83 176.77 1mbh h LYS 109 N 0.10 -0.05 0.14 1.69 3.64 -0.75 -3.42 116.57 117.91 1mbh h LYS 109 Ca 0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1mbh h LYS 109 Cb 0.19 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1mbh h LYS 109 CO -0.01 -0.03 -0.07 1.88 -2.27 0.00 0.00 179.45 178.95 1mbh h TYR 110 N -0.47 -0.17 0.00 1.91 0.05 -0.77 -3.51 116.97 114.01 1mbh h TYR 110 Ca -0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1mbh h TYR 110 Cb 0.04 0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1mbh h TYR 110 CO 0.01 -0.06 0.00 0.41 -1.05 0.00 0.00 178.16 177.48 1mbh n GLY 111 N 1.28 2.45 1.04 3.88 0.00 0.13 -4.86 105.19 109.10 1mbh n GLY 111 Ca -0.03 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1mbh n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mbh n PRO 112 N -1.84 0.74 -4.29 1.61 -0.04 -1.26 -4.67 135.00 125.25 1mbh n PRO 112 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1mbh n PRO 112 Cb 0.00 -1.13 -0.09 0.00 -0.04 0.00 0.00 33.50 32.24 1mbh n PRO 112 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1mbh s LYS 113 N 0.28 1.50 -1.34 0.54 -0.14 -1.26 -4.89 119.74 114.43 1mbh s LYS 113 Ca 0.00 -1.84 -0.03 0.00 -1.36 0.00 0.00 55.97 52.74 1mbh s LYS 113 Cb 0.00 0.07 0.02 0.00 -1.68 0.00 0.00 37.83 36.24 1mbh s LYS 113 CO 0.00 -0.46 0.78 0.54 -0.76 0.00 0.00 175.35 175.44 1mbh n ARG 114 N -0.49 -5.19 0.27 1.68 1.74 -1.26 -4.83 116.66 108.57 1mbh n ARG 114 Ca 0.02 0.63 0.18 0.00 -0.77 0.00 0.00 57.85 57.92 1mbh n ARG 114 Cb 0.65 -5.28 0.96 0.00 -1.02 0.00 0.00 32.46 27.77 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 -1.93 0.00 -0.47 -1.55 4.06 -1.90 -0.40 115.95 113.76 1mbh h TRP 115 Ca -0.60 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.30 1mbh h TRP 115 Cb 1.36 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.50 1mbh h TRP 115 CO 0.48 0.00 0.09 1.03 -3.56 0.00 0.00 178.44 176.48 1mbh h SER 116 N 0.00 0.67 0.08 -3.49 0.87 -1.92 0.92 113.55 110.67 1mbh h SER 116 Ca 0.00 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1mbh h SER 116 Cb 0.04 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1mbh h SER 116 CO 0.00 0.68 -0.04 0.58 -0.53 0.00 0.00 176.83 177.53 1mbh h VAL 117 N 0.69 1.15 -0.55 2.23 2.07 -1.42 -1.67 116.25 118.75 1mbh h VAL 117 Ca 0.15 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.89 1mbh h VAL 117 Cb 0.30 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1mbh h VAL 117 CO 0.00 0.20 0.30 0.40 0.02 0.00 0.00 177.57 178.49 1mbh h ILE 118 N -0.48 0.98 -0.44 4.57 2.04 -1.53 -2.42 117.51 120.23 1mbh h ILE 118 Ca -0.01 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1mbh h ILE 118 Cb 0.41 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1mbh h ILE 118 CO 0.02 0.11 0.21 0.00 0.00 0.00 0.00 178.15 178.48 1mbh h ALA 119 N 1.28 0.55 -0.35 1.87 0.00 -0.76 -0.17 119.26 121.69 1mbh h ALA 119 Ca 0.24 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1mbh h ALA 119 Cb 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1mbh h ALA 119 CO -0.15 -0.15 0.23 0.87 0.00 0.00 0.00 179.25 180.05 1mbh h LYS 120 N 0.42 0.32 0.00 0.00 1.57 -0.83 0.95 116.57 119.01 1mbh h LYS 120 Ca 0.19 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.75 1mbh h LYS 120 Cb 0.12 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1mbh h LYS 120 CO -0.15 0.21 -1.05 0.45 -0.57 0.00 0.00 179.45 178.35 1mbh h HIS 121 N 0.33 0.00 0.00 -1.35 3.86 -0.96 -3.36 115.15 113.68 1mbh h HIS 121 Ca 0.14 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1mbh h HIS 121 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1mbh h HIS 121 CO -0.00 0.90 -0.00 -0.07 0.86 0.00 0.00 177.93 179.61 1mbh h LEU 122 N 0.00 -0.00 -0.81 2.43 4.07 -0.12 -3.51 115.31 117.37 1mbh h LEU 122 Ca -0.06 -0.86 0.00 0.00 0.08 0.00 0.00 57.88 57.04 1mbh h LEU 122 Cb 1.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.48 1mbh h LEU 122 CO 0.11 0.91 -0.53 0.29 -1.08 0.00 0.00 178.44 178.13 1mbh n LYS 123 N -4.65 -2.94 -0.71 1.13 5.02 0.24 -4.78 118.16 111.46 1mbh n LYS 123 Ca -0.09 2.16 0.00 0.00 -2.02 0.00 0.00 58.31 58.36 1mbh n LYS 123 Cb 0.42 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 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 0.28 0.86 2.73 0.72 0.00 -1.26 -4.99 105.19 103.52 1mbh n GLY 124 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.29 0.71 0.98 1.61 1.81 -1.26 -4.76 118.95 117.75 1mbh s ARG 125 Ca 0.00 -0.82 -0.12 0.00 -1.72 0.00 0.00 55.73 53.07 1mbh s ARG 125 Cb 0.00 -2.00 0.18 0.00 -0.45 0.00 0.00 34.95 32.68 1mbh s ARG 125 CO 0.00 -0.86 1.11 0.96 -0.68 0.00 0.00 175.30 175.83 1mbh s ILE 126 N 1.72 2.00 0.28 1.52 -4.36 -1.26 -4.48 121.20 116.62 1mbh s ILE 126 Ca 0.05 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.46 1mbh s ILE 126 Cb -0.17 -2.58 0.26 0.00 1.25 0.00 0.00 42.46 41.22 1mbh s ILE 126 CO -0.20 0.00 1.73 1.23 0.24 0.00 0.00 174.94 177.95 1mbh h GLY 127 N -1.79 1.46 0.64 6.27 0.00 -1.93 -1.09 103.07 106.63 1mbh h GLY 127 Ca -0.53 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 46.60 1mbh h GLY 127 CO 0.59 -0.14 -0.14 1.70 0.00 0.00 0.00 176.54 178.55 1mbh h LYS 128 N 0.53 -0.21 0.41 4.80 1.63 -1.93 0.80 116.57 122.59 1mbh h LYS 128 Ca 0.51 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.30 1mbh h LYS 128 Cb 0.84 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1mbh h LYS 128 CO -0.44 -0.14 -0.19 1.96 -3.45 0.00 0.00 179.45 177.19 1mbh h GLN 129 N -0.22 -0.52 -0.53 1.90 4.20 -1.61 -0.41 115.11 117.91 1mbh h GLN 129 Ca 0.05 0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.89 1mbh h GLN 129 Cb 0.29 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.12 1mbh h GLN 129 CO -0.15 -0.32 0.14 0.00 -0.67 0.00 0.00 178.83 177.84 1mbh h ARG 131 N 0.29 -0.93 -0.63 0.00 1.12 -0.70 -3.04 114.38 110.50 1mbh h ARG 131 Ca 0.27 0.06 0.02 0.00 -1.11 0.00 0.00 59.98 59.23 1mbh h ARG 131 Cb 0.35 0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 30.48 1mbh h ARG 131 CO -0.32 -0.59 0.39 1.05 -3.11 0.00 0.00 179.97 177.39 1mbh h GLU 132 N -1.12 0.76 -0.95 0.20 4.11 -0.89 -0.01 114.58 116.68 1mbh h GLU 132 Ca -0.10 -0.05 0.23 0.00 0.07 0.00 0.00 59.36 59.52 1mbh h GLU 132 Cb 0.76 -0.17 -0.12 0.00 0.50 0.00 0.00 28.75 29.72 1mbh h GLU 132 CO 0.16 0.50 0.50 -0.09 0.07 0.00 0.00 179.01 180.15 1mbh h ARG 133 N 0.78 0.49 -0.03 1.06 9.65 -0.93 0.47 114.38 125.87 1mbh h ARG 133 Ca 0.25 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 59.01 1mbh h ARG 133 Cb 0.00 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1mbh h ARG 133 CO -0.09 0.32 -0.33 2.35 2.80 0.00 0.00 179.97 185.02 1mbh h TRP 134 N 0.50 0.39 -0.76 2.20 2.91 -1.16 -3.30 115.95 116.73 1mbh h TRP 134 Ca 0.60 -0.19 -0.40 0.00 1.13 0.00 0.00 58.89 60.02 1mbh h TRP 134 Cb 1.13 -0.05 -0.15 0.00 -0.51 0.00 0.00 29.16 29.58 1mbh h TRP 134 CO -0.07 0.96 0.25 0.72 -1.03 0.00 0.00 178.44 179.27 1mbh n HIS 135 N -4.43 1.27 0.00 2.65 8.25 0.06 -4.25 115.22 118.76 1mbh n HIS 135 Ca -0.09 -1.84 0.00 0.00 -0.26 0.00 0.00 57.72 55.52 1mbh n HIS 135 Cb 0.53 -1.33 0.00 0.00 1.12 0.00 0.00 29.99 30.31 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 1.09 0.00 0.00 0.41 3.02 -0.62 -4.86 115.26 114.31 1mbh n ASN 136 Ca 0.44 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1mbh n ASN 136 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.67 0.00 -3.60 3.10 8.25 -1.25 -4.97 115.22 116.08 1mbh n HIS 137 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1mbh n HIS 137 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1mbh s LEU 138 N -1.65 4.43 -0.41 2.41 2.34 -1.26 -5.01 118.68 119.53 1mbh s LEU 138 Ca 0.00 0.82 0.09 0.00 0.06 0.00 0.00 54.13 55.10 1mbh s LEU 138 Cb 0.00 -2.55 0.37 0.00 -0.56 0.00 0.00 46.19 43.44 1mbh s LEU 138 CO 0.00 0.31 1.18 -3.20 -1.06 0.00 0.00 176.35 173.59 1mbh n ASN 139 N 1.66 -1.55 0.19 1.48 2.85 -1.26 -4.48 115.26 114.16 1mbh n ASN 139 Ca -0.14 -2.99 -0.08 0.00 -0.11 0.00 0.00 54.58 51.26 1mbh n ASN 139 Cb 0.53 1.09 -0.04 0.00 1.24 0.00 0.00 39.78 42.60 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 2.54 -0.51 0.00 1.20 0.13 -1.95 -3.52 132.00 129.89 1mbh h PRO 140 Ca -0.17 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1mbh h PRO 140 Cb 1.19 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1mbh h PRO 140 CO 0.10 -0.34 0.00 -1.91 -0.23 0.00 0.00 178.00 175.62