#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 -7.53 -2.71 1.96 2.08 -1.26 -4.96 119.36 106.94 1mbh n ILE 91 Ca 0.00 -0.37 -0.05 0.00 0.56 0.00 0.00 62.75 62.88 1mbh n ILE 91 Cb 0.00 -5.39 0.07 0.00 -0.75 0.00 0.00 39.64 33.57 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 -2.50 1.33 -1.84 0.38 3.00 -1.26 -5.12 118.16 112.15 1mbh n LYS 92 Ca -0.11 -2.67 -0.39 0.00 -0.00 0.00 0.00 58.31 55.14 1mbh n LYS 92 Cb 0.58 -0.80 0.03 0.00 0.00 0.00 0.00 35.03 34.84 1mbh n LYS 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1mbh s GLY 93 N -2.53 2.89 0.10 3.14 0.00 -1.26 -4.87 107.32 104.79 1mbh s GLY 93 Ca 0.23 1.34 -0.36 0.00 0.00 0.00 0.00 44.72 45.94 1mbh s GLY 93 CO -0.03 1.89 1.48 -1.05 0.00 0.00 0.00 173.10 175.39 1mbh n PRO 94 N -0.65 1.63 -1.72 2.90 -0.02 -1.26 -4.86 135.00 131.02 1mbh n PRO 94 Ca 0.08 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1mbh n PRO 94 Cb 0.44 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1mbh n PRO 94 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1mbh n TRP 95 N 3.19 2.53 -3.37 6.00 7.02 -1.26 -4.99 117.44 126.56 1mbh n TRP 95 Ca 0.18 0.45 -0.27 0.00 -1.02 0.00 0.00 57.50 56.84 1mbh n TRP 95 Cb 0.23 -2.48 -0.03 0.00 -2.42 0.00 0.00 31.31 26.62 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 -0.71 5.07 0.21 -0.99 -4.23 -1.26 -4.96 115.64 108.76 1mbh s THR 96 Ca 0.59 -0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.88 1mbh s THR 96 Cb -0.55 -3.77 0.14 0.00 1.34 0.00 0.00 72.50 69.66 1mbh s THR 96 CO 0.58 -0.37 1.80 0.50 -0.54 0.00 0.00 174.62 176.58 1mbh h LYS 97 N 1.46 0.63 -0.25 3.99 3.11 -1.99 -0.63 116.57 122.89 1mbh h LYS 97 Ca -0.48 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.31 1mbh h LYS 97 Cb 1.20 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.27 1mbh h LYS 97 CO 0.65 0.42 0.12 0.93 -2.81 0.00 0.00 179.45 178.76 1mbh h GLU 98 N 0.65 0.37 -0.64 1.90 3.07 -1.99 -0.29 114.58 117.65 1mbh h GLU 98 Ca 0.30 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.08 1mbh h GLU 98 Cb 0.21 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 1mbh h GLU 98 CO -0.19 0.37 0.32 1.49 -1.40 0.00 0.00 179.01 179.60 1mbh h GLU 99 N 0.28 0.91 -0.13 2.33 4.57 -1.86 -0.73 114.58 119.94 1mbh h GLU 99 Ca 0.09 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1mbh h GLU 99 Cb 0.12 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1mbh h GLU 99 CO -0.01 0.72 0.05 -0.44 -1.18 0.00 0.00 179.01 178.15 1mbh h ASP 100 N 0.88 0.07 -0.68 1.04 5.19 -0.87 -1.07 116.42 120.97 1mbh h ASP 100 Ca 0.22 0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.72 1mbh h ASP 100 Cb 0.09 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.54 1mbh h ASP 100 CO -0.03 0.06 0.36 -0.61 -3.12 0.00 0.00 179.24 175.90 1mbh h GLN 101 N 0.12 0.63 -0.28 3.56 5.75 -0.69 0.44 115.11 124.64 1mbh h GLN 101 Ca 0.06 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1mbh h GLN 101 Cb 0.03 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1mbh h GLN 101 CO -0.05 0.41 0.17 0.00 -2.65 0.00 0.00 178.83 176.71 1mbh h ARG 102 N 0.65 0.33 -0.02 1.69 3.08 -0.64 -0.81 114.38 118.66 1mbh h ARG 102 Ca 0.32 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 1mbh h ARG 102 Cb 0.27 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1mbh h ARG 102 CO -0.22 0.22 0.01 0.28 -1.07 0.00 0.00 179.97 179.19 1mbh h VAL 103 N 0.34 1.05 -0.46 2.04 2.07 -0.44 -0.48 116.25 120.38 1mbh h VAL 103 Ca 0.11 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1mbh h VAL 103 Cb -0.01 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 1mbh h VAL 103 CO -0.05 0.04 -0.05 0.40 0.02 0.00 0.00 177.57 177.94 1mbh h ILE 104 N -0.04 0.60 0.26 4.57 2.04 -0.70 0.24 117.51 124.48 1mbh h ILE 104 Ca 0.01 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1mbh h ILE 104 Cb 0.06 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1mbh h ILE 104 CO -0.00 0.01 -0.12 -0.08 0.00 0.00 0.00 178.15 177.96 1mbh h GLU 105 N 0.06 -0.33 -0.44 2.37 4.22 -0.94 -0.42 114.58 119.10 1mbh h GLU 105 Ca 0.23 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.69 1mbh h GLU 105 Cb 0.34 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1mbh h GLU 105 CO -0.42 -0.15 0.27 -0.07 -2.18 0.00 0.00 179.01 176.46 1mbh h LEU 106 N -0.44 0.52 -0.09 1.64 3.38 -0.60 0.36 115.31 120.08 1mbh h LEU 106 Ca -0.04 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1mbh h LEU 106 Cb 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1mbh h LEU 106 CO 0.06 0.40 -0.24 0.58 0.09 0.00 0.00 178.44 179.33 1mbh h VAL 107 N 0.61 1.40 -0.63 1.22 2.07 -0.36 0.66 116.25 121.23 1mbh h VAL 107 Ca 0.16 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 66.14 1mbh h VAL 107 Cb -0.02 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1mbh h VAL 107 CO -0.03 0.45 0.41 -0.61 0.02 0.00 0.00 177.57 177.81 1mbh h GLN 108 N -0.14 0.73 0.32 1.57 4.15 -0.62 0.13 115.11 121.26 1mbh h GLN 108 Ca -0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1mbh h GLN 108 Cb 0.85 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1mbh h GLN 108 CO 0.05 0.48 -0.16 -0.22 -1.93 0.00 0.00 178.83 177.06 1mbh h LYS 109 N 0.75 -0.42 0.00 1.69 3.64 -0.82 -3.43 116.57 117.98 1mbh h LYS 109 Ca 0.25 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1mbh h LYS 109 Cb 0.06 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1mbh h LYS 109 CO -0.07 -0.13 0.00 0.66 -2.27 0.00 0.00 179.45 177.64 1mbh n TYR 110 N -5.07 0.00 0.00 1.91 4.01 0.21 -5.09 117.16 113.13 1mbh n TYR 110 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1mbh n TYR 110 Cb 0.25 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 2.46 0.33 1.61 2.72 0.00 0.45 -4.97 105.19 107.80 1mbh n GLY 111 Ca 0.00 -1.18 -0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.84 0.81 -3.60 1.61 -0.04 -1.26 -4.62 135.00 127.06 1mbh n PRO 112 Ca 0.00 -0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.31 1mbh n PRO 112 Cb 0.00 -1.12 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 1mbh n PRO 112 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mbh n LYS 113 N 1.63 0.50 -3.80 0.54 5.02 -1.26 -4.94 118.16 115.84 1mbh n LYS 113 Ca 0.01 -2.39 -0.23 0.00 -2.02 0.00 0.00 58.31 53.68 1mbh n LYS 113 Cb 0.40 2.19 0.01 0.00 -0.02 0.00 0.00 35.03 37.61 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 -0.48 -4.23 0.23 1.97 1.74 -1.26 -4.82 116.66 109.81 1mbh n ARG 114 Ca 0.02 0.53 0.16 0.00 -0.77 0.00 0.00 57.85 57.79 1mbh n ARG 114 Cb 0.48 -4.91 0.82 0.00 -1.02 0.00 0.00 32.46 27.83 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 -1.85 0.00 -0.59 -1.55 4.06 -1.92 -0.36 115.95 113.74 1mbh h TRP 115 Ca -0.62 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.23 1mbh h TRP 115 Cb 1.37 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.50 1mbh h TRP 115 CO 0.47 0.00 -0.04 0.77 -3.56 0.00 0.00 178.44 176.09 1mbh h SER 116 N 0.00 1.04 -0.15 -3.49 0.02 -1.93 0.16 113.55 109.20 1mbh h SER 116 Ca 0.00 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1mbh h SER 116 Cb 0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1mbh h SER 116 CO 0.00 1.11 -0.00 0.58 -1.14 0.00 0.00 176.83 177.37 1mbh h VAL 117 N 0.95 1.26 -0.74 2.27 2.07 -1.41 -0.72 116.25 119.92 1mbh h VAL 117 Ca 0.16 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1mbh h VAL 117 Cb 0.60 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1mbh h VAL 117 CO 0.04 0.25 0.44 0.40 0.02 0.00 0.00 177.57 178.72 1mbh h ILE 118 N 0.00 1.22 -0.84 4.57 2.04 -1.43 -2.44 117.51 120.63 1mbh h ILE 118 Ca 0.04 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1mbh h ILE 118 Cb 0.38 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1mbh h ILE 118 CO 0.01 0.23 0.41 0.00 0.00 0.00 0.00 178.15 178.80 1mbh h ALA 119 N 1.23 1.14 -0.53 1.87 0.00 -0.51 0.03 119.26 122.49 1mbh h ALA 119 Ca 0.27 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1mbh h ALA 119 Cb -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1mbh h ALA 119 CO -0.05 0.65 0.36 0.87 0.00 0.00 0.00 179.25 181.09 1mbh h LYS 120 N 1.19 0.27 0.10 0.00 1.79 -0.63 -1.16 116.57 118.13 1mbh h LYS 120 Ca 0.29 -0.02 -0.30 0.00 -2.18 0.00 0.00 60.65 58.44 1mbh h LYS 120 Cb 0.10 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1mbh h LYS 120 CO -0.04 0.18 -1.55 0.45 -1.08 0.00 0.00 179.45 177.42 1mbh h HIS 121 N 0.28 0.38 -2.01 -1.35 3.86 -1.22 -3.39 115.15 111.70 1mbh h HIS 121 Ca 0.25 -0.28 -0.72 0.00 -1.16 0.00 0.00 60.37 58.46 1mbh h HIS 121 Cb 0.60 -0.02 -0.16 0.00 1.06 0.00 0.00 27.41 28.89 1mbh h HIS 121 CO -0.00 1.35 1.40 -0.51 0.86 0.00 0.00 177.93 181.02 1mbh s LEU 122 N -6.88 4.86 -1.12 2.43 1.02 -0.08 -4.94 118.68 113.97 1mbh s LEU 122 Ca -0.09 -2.76 -0.23 0.00 0.02 0.00 0.00 54.13 51.07 1mbh s LEU 122 Cb 0.07 -2.43 -0.07 0.00 0.02 0.00 0.00 46.19 43.78 1mbh s LEU 122 CO 0.84 -0.86 1.93 -0.54 0.02 0.00 0.00 176.35 177.74 1mbh s LYS 123 N 2.15 2.57 0.00 1.70 1.02 -1.25 -2.85 119.74 123.08 1mbh s LYS 123 Ca 0.43 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1mbh s LYS 123 Cb -0.02 -5.21 0.00 0.00 -0.52 0.00 0.00 37.83 32.07 1mbh s LYS 123 CO -0.00 -3.78 0.00 0.41 -0.92 0.00 0.00 175.35 171.06 1mbh n GLY 124 N 6.04 1.27 3.52 -3.33 0.00 -1.26 -5.08 105.19 106.36 1mbh n GLY 124 Ca 0.44 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 3.31 1.13 1.61 0.52 -1.13 -5.03 118.95 119.36 1mbh s ARG 125 Ca 0.00 -0.26 -0.15 0.00 -0.52 0.00 0.00 55.73 54.80 1mbh s ARG 125 Cb 0.00 -4.09 0.25 0.00 0.52 0.00 0.00 34.95 31.63 1mbh s ARG 125 CO 0.00 -1.67 1.06 0.96 0.02 0.00 0.00 175.30 175.67 1mbh s ILE 126 N 4.41 1.85 0.32 1.52 -4.36 -1.26 -4.61 121.20 119.07 1mbh s ILE 126 Ca 0.32 0.00 0.08 0.00 -0.26 0.00 0.00 60.65 60.79 1mbh s ILE 126 Cb -0.12 -2.35 0.31 0.00 1.25 0.00 0.00 42.46 41.56 1mbh s ILE 126 CO 0.18 0.00 1.80 1.23 0.24 0.00 0.00 174.94 178.39 1mbh h GLY 127 N -2.39 1.61 0.73 6.27 0.00 -1.92 -0.95 103.07 106.42 1mbh h GLY 127 Ca -0.54 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 46.48 1mbh h GLY 127 CO 0.49 -0.03 -0.07 1.70 0.00 0.00 0.00 176.54 178.63 1mbh h LYS 128 N 0.72 -0.08 -0.05 4.80 3.64 -1.92 0.82 116.57 124.51 1mbh h LYS 128 Ca 0.55 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1mbh h LYS 128 Cb 0.92 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1mbh h LYS 128 CO -0.33 -0.05 0.03 1.96 -2.27 0.00 0.00 179.45 178.78 1mbh h GLN 129 N -0.09 0.07 -0.07 1.90 1.08 -1.54 -1.39 115.11 115.07 1mbh h GLN 129 Ca 0.05 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1mbh h GLN 129 Cb 0.16 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1mbh h GLN 129 CO -0.13 0.11 -0.09 0.00 -0.95 0.00 0.00 178.83 177.77 1mbh h ARG 131 N -0.12 -0.58 -0.35 0.00 1.12 -0.74 -2.23 114.38 111.48 1mbh h ARG 131 Ca 0.06 0.04 0.05 0.00 -1.11 0.00 0.00 59.98 59.02 1mbh h ARG 131 Cb 0.20 0.13 -0.05 0.00 -0.01 0.00 0.00 29.97 30.24 1mbh h ARG 131 CO -0.14 -0.39 0.07 0.93 -3.11 0.00 0.00 179.97 177.33 1mbh h GLU 132 N -0.61 0.19 -0.99 0.20 5.08 -1.04 0.93 114.58 118.34 1mbh h GLU 132 Ca 0.01 -0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1mbh h GLU 132 Cb 0.61 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.71 1mbh h GLU 132 CO -0.16 0.12 0.60 -0.09 -1.00 0.00 0.00 179.01 178.48 1mbh h ARG 133 N 0.19 0.73 0.02 2.33 9.65 -0.65 -2.90 114.38 123.75 1mbh h ARG 133 Ca 0.17 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1mbh h ARG 133 Cb 0.19 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1mbh h ARG 133 CO -0.22 0.48 -0.01 2.35 2.80 0.00 0.00 179.97 185.38 1mbh h TRP 134 N 0.75 -0.02 0.00 2.20 2.91 -0.70 -3.21 115.95 117.88 1mbh h TRP 134 Ca 0.57 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.59 1mbh h TRP 134 Cb 0.89 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.55 1mbh h TRP 134 CO -0.01 0.41 0.00 0.72 -1.03 0.00 0.00 178.44 178.53 1mbh n HIS 135 N -4.73 0.00 0.00 2.65 8.25 0.23 -3.44 115.22 118.18 1mbh n HIS 135 Ca -0.05 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 1mbh n HIS 135 Cb 0.21 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 1.13 0.00 0.00 0.41 3.02 -1.12 -4.96 115.26 113.75 1mbh n ASN 136 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1mbh n ASN 136 Cb 0.44 0.19 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 -2.50 0.00 -3.92 3.10 8.25 -1.21 -4.81 115.22 114.12 1mbh n HIS 137 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1mbh n HIS 137 Cb 0.00 -0.35 -0.14 0.00 1.12 0.00 0.00 29.99 30.62 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 -3.11 3.66 -0.45 2.41 2.34 -1.24 -5.00 118.68 117.29 1mbh s LEU 138 Ca 0.00 -1.13 0.10 0.00 0.06 0.00 0.00 54.13 53.16 1mbh s LEU 138 Cb 0.00 -1.70 0.36 0.00 -0.56 0.00 0.00 46.19 44.29 1mbh s LEU 138 CO 0.00 -0.21 0.85 -3.20 -1.06 0.00 0.00 176.35 172.72 1mbh n ASN 139 N 4.64 2.43 0.40 1.48 5.15 -1.22 -4.46 115.26 123.67 1mbh n ASN 139 Ca -0.14 -3.27 -0.16 0.00 -0.60 0.00 0.00 54.58 50.40 1mbh n ASN 139 Cb 0.45 -0.58 -0.08 0.00 -0.53 0.00 0.00 39.78 39.04 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 2.97 -1.00 0.00 1.20 0.13 -1.94 -3.51 132.00 129.84 1mbh h PRO 140 Ca 0.11 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1mbh h PRO 140 Cb 0.81 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1mbh h PRO 140 CO 0.64 -0.67 0.00 0.39 -0.23 0.00 0.00 178.00 178.13