#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 -9.98 -1.97 -0.08 2.08 -0.97 -4.63 119.36 103.82 1mbh n ILE 91 Ca 0.00 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.40 1mbh n ILE 91 Cb 0.00 -6.77 0.00 0.00 -0.75 0.00 0.00 39.64 32.12 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 -1.38 0.00 0.00 0.38 4.81 -1.19 -5.00 118.16 115.78 1mbh n LYS 92 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1mbh n LYS 92 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mbh n GLY 93 N 0.00 0.47 3.51 3.14 0.00 -1.26 -4.83 105.19 106.22 1mbh n GLY 93 Ca 0.00 -1.90 -0.46 0.00 0.00 0.00 0.00 46.02 43.66 1mbh n GLY 93 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mbh n PRO 94 N 0.75 1.32 -1.63 1.61 -0.02 -1.26 -4.81 135.00 130.96 1mbh n PRO 94 Ca 0.00 0.32 -0.51 0.00 -2.02 0.00 0.00 63.50 61.29 1mbh n PRO 94 Cb 0.00 -2.81 -0.06 0.00 -0.02 0.00 0.00 33.50 30.61 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 11.35 1.85 -3.55 6.00 7.02 -1.26 -4.95 117.44 133.89 1mbh n TRP 95 Ca 0.38 0.48 -0.32 0.00 -1.02 0.00 0.00 57.50 57.02 1mbh n TRP 95 Cb 0.34 -2.43 -0.05 0.00 -2.42 0.00 0.00 31.31 26.75 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 1.22 5.05 0.26 -0.99 -4.23 -1.26 -4.96 115.64 110.74 1mbh s THR 96 Ca 0.85 0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 61.63 1mbh s THR 96 Cb -0.87 -3.63 0.24 0.00 1.34 0.00 0.00 72.50 69.58 1mbh s THR 96 CO 0.47 0.03 1.79 0.50 -0.54 0.00 0.00 174.62 176.87 1mbh h LYS 97 N 2.84 0.74 -0.26 3.99 3.11 -1.99 -0.43 116.57 124.56 1mbh h LYS 97 Ca -0.47 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.29 1mbh h LYS 97 Cb 1.17 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 32.22 1mbh h LYS 97 CO 0.70 0.49 0.00 1.49 -2.81 0.00 0.00 179.45 179.33 1mbh h GLU 98 N 0.76 0.46 -0.57 1.90 4.57 -1.98 0.47 114.58 120.19 1mbh h GLU 98 Ca 0.45 -0.15 0.06 0.00 -1.18 0.00 0.00 59.36 58.55 1mbh h GLU 98 Cb 0.54 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.03 1mbh h GLU 98 CO -0.30 0.62 0.28 0.93 -1.18 0.00 0.00 179.01 179.36 1mbh h GLU 99 N 0.25 0.52 -0.41 1.92 4.39 -1.68 -0.02 114.58 119.54 1mbh h GLU 99 Ca 0.08 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1mbh h GLU 99 Cb 0.41 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1mbh h GLU 99 CO 0.01 0.34 0.27 -0.44 -1.16 0.00 0.00 179.01 178.03 1mbh h ASP 100 N 0.53 0.47 -0.97 1.42 3.32 -0.93 -2.34 116.42 117.91 1mbh h ASP 100 Ca 0.26 -0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.43 1mbh h ASP 100 Cb 0.19 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.54 1mbh h ASP 100 CO -0.19 0.34 0.61 -0.61 -1.72 0.00 0.00 179.24 177.67 1mbh h GLN 101 N 0.55 0.85 -0.24 3.56 5.75 0.68 -0.43 115.11 125.83 1mbh h GLN 101 Ca 0.15 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1mbh h GLN 101 Cb -0.06 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.29 1mbh h GLN 101 CO -0.03 0.56 0.14 0.00 -2.65 0.00 0.00 178.83 176.86 1mbh h ARG 102 N 0.88 0.33 -0.37 1.69 2.47 -0.53 -0.51 114.38 118.34 1mbh h ARG 102 Ca 0.49 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 59.19 1mbh h ARG 102 Cb 0.61 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 1mbh h ARG 102 CO -0.26 0.27 0.23 0.28 0.56 0.00 0.00 179.97 181.04 1mbh h VAL 103 N 0.30 1.06 0.06 2.04 2.07 -0.94 -0.07 116.25 120.76 1mbh h VAL 103 Ca 0.09 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1mbh h VAL 103 Cb 0.03 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1mbh h VAL 103 CO -0.02 0.08 -0.21 0.40 0.02 0.00 0.00 177.57 177.85 1mbh h ILE 104 N 0.46 0.53 -0.15 4.57 2.04 -0.86 0.19 117.51 124.29 1mbh h ILE 104 Ca 0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.04 1mbh h ILE 104 Cb -0.02 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1mbh h ILE 104 CO -0.05 0.00 -0.05 -0.08 0.00 0.00 0.00 178.15 177.96 1mbh h GLU 105 N -0.36 -0.02 0.15 2.37 4.57 -0.80 -0.62 114.58 119.86 1mbh h GLU 105 Ca 0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1mbh h GLU 105 Cb 0.41 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1mbh h GLU 105 CO -0.15 -0.02 -0.07 -0.07 -1.18 0.00 0.00 179.01 177.52 1mbh h LEU 106 N -0.02 -0.17 -0.94 1.64 3.38 -0.77 -2.83 115.31 115.60 1mbh h LEU 106 Ca 0.08 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1mbh h LEU 106 Cb 0.14 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1mbh h LEU 106 CO -0.17 0.16 0.61 0.58 0.09 0.00 0.00 178.44 179.71 1mbh h VAL 107 N -0.51 1.14 -0.19 1.22 2.07 -0.59 0.19 116.25 119.57 1mbh h VAL 107 Ca -0.02 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1mbh h VAL 107 Cb 0.40 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1mbh h VAL 107 CO 0.03 0.21 0.13 -0.61 0.02 0.00 0.00 177.57 177.36 1mbh h GLN 108 N 1.16 0.11 0.07 1.57 4.15 -1.06 0.12 115.11 121.22 1mbh h GLN 108 Ca 0.38 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.60 1mbh h GLN 108 Cb 0.03 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1mbh h GLN 108 CO -0.13 0.07 -0.97 -0.22 -1.93 0.00 0.00 178.83 175.66 1mbh h LYS 109 N 0.11 0.14 0.00 1.69 3.64 -0.80 -3.44 116.57 117.91 1mbh h LYS 109 Ca 0.08 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1mbh h LYS 109 Cb 0.19 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1mbh h LYS 109 CO -0.01 1.11 0.00 0.66 -2.27 0.00 0.00 179.45 178.94 1mbh n TYR 110 N -4.22 0.00 0.00 1.91 4.01 0.47 -5.12 117.16 114.22 1mbh n TYR 110 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1mbh n TYR 110 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 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 2.52 -0.57 1.07 2.72 0.00 0.39 -4.94 105.19 106.38 1mbh n GLY 111 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.10 0.73 -3.97 1.61 -0.04 -1.26 -4.64 135.00 126.33 1mbh n PRO 112 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 1mbh n PRO 112 Cb 0.00 -1.13 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.74 0.47 -3.75 0.54 4.76 -1.26 -4.91 118.16 114.75 1mbh n LYS 113 Ca 0.00 -2.89 -0.24 0.00 -2.87 0.00 0.00 58.31 52.31 1mbh n LYS 113 Cb 0.37 2.01 0.02 0.00 -1.84 0.00 0.00 35.03 35.59 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 -0.65 -3.87 0.22 1.97 1.74 -1.26 -4.83 116.66 109.99 1mbh n ARG 114 Ca 0.01 0.55 0.16 0.00 -0.77 0.00 0.00 57.85 57.80 1mbh n ARG 114 Cb 0.52 -4.88 0.76 0.00 -1.02 0.00 0.00 32.46 27.85 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 -1.83 0.00 -0.28 -1.55 4.06 -1.92 -1.39 115.95 113.04 1mbh h TRP 115 Ca -0.62 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.26 1mbh h TRP 115 Cb 1.36 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.51 1mbh h TRP 115 CO 0.45 0.00 -0.09 0.66 -3.56 0.00 0.00 178.44 175.90 1mbh h SER 116 N 0.00 0.56 0.02 -3.49 4.64 -1.94 0.14 113.55 113.49 1mbh h SER 116 Ca 0.00 -0.38 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1mbh h SER 116 Cb 0.16 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1mbh h SER 116 CO 0.00 0.82 -0.01 0.58 -0.87 0.00 0.00 176.83 177.35 1mbh h VAL 117 N 0.31 1.09 -0.76 0.95 2.07 -1.62 -0.51 116.25 117.77 1mbh h VAL 117 Ca 0.07 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1mbh h VAL 117 Cb 0.58 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1mbh h VAL 117 CO 0.03 0.08 0.50 0.40 0.02 0.00 0.00 177.57 178.60 1mbh h ILE 118 N -0.16 1.17 -0.76 4.57 2.04 -1.48 -2.40 117.51 120.49 1mbh h ILE 118 Ca -0.00 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1mbh h ILE 118 Cb 0.15 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 1mbh h ILE 118 CO 0.00 0.18 0.40 0.00 0.00 0.00 0.00 178.15 178.73 1mbh h ALA 119 N 1.29 0.97 -0.10 1.87 0.00 -0.49 -0.34 119.26 122.47 1mbh h ALA 119 Ca 0.28 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1mbh h ALA 119 Cb -0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1mbh h ALA 119 CO -0.07 0.50 0.10 0.87 0.00 0.00 0.00 179.25 180.65 1mbh h LYS 120 N 1.05 0.00 0.14 0.00 1.57 -0.58 -1.80 116.57 116.95 1mbh h LYS 120 Ca 0.26 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.74 1mbh h LYS 120 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1mbh h LYS 120 CO -0.04 0.00 -1.53 0.45 -0.57 0.00 0.00 179.45 177.76 1mbh h HIS 121 N 0.00 0.52 -0.93 -1.35 3.86 -1.15 -3.40 115.15 112.70 1mbh h HIS 121 Ca 0.05 -0.38 -0.64 0.00 -1.16 0.00 0.00 60.37 58.23 1mbh h HIS 121 Cb 0.24 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.60 1mbh h HIS 121 CO 0.00 1.60 1.93 -0.51 0.86 0.00 0.00 177.93 181.81 1mbh s LEU 122 N -7.46 3.70 -1.03 2.43 1.02 -0.22 -4.89 118.68 112.23 1mbh s LEU 122 Ca -0.19 -2.08 -0.23 0.00 0.02 0.00 0.00 54.13 51.65 1mbh s LEU 122 Cb 0.05 -2.58 -0.12 0.00 0.02 0.00 0.00 46.19 43.56 1mbh s LEU 122 CO 0.79 -1.34 1.92 0.29 0.02 0.00 0.00 176.35 178.03 1mbh n LYS 123 N 8.56 1.51 0.00 1.70 5.02 -1.26 -1.58 118.16 132.12 1mbh n LYS 123 Ca 0.44 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.49 1mbh n LYS 123 Cb 0.48 -3.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.03 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 5.38 0.33 3.14 0.72 0.00 -1.26 -4.08 105.19 109.42 1mbh n GLY 124 Ca 0.46 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 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 2.50 0.21 1.61 1.81 -0.62 -2.29 118.95 122.18 1mbh s ARG 125 Ca 0.00 -1.19 -0.04 0.00 -1.72 0.00 0.00 55.73 52.78 1mbh s ARG 125 Cb 0.00 -2.99 0.05 0.00 -0.45 0.00 0.00 34.95 31.56 1mbh s ARG 125 CO 0.00 -0.52 0.25 0.44 -0.68 0.00 0.00 175.30 174.79 1mbh n ILE 126 N 4.57 0.00 -1.30 1.52 -5.35 -1.26 -4.51 119.36 113.03 1mbh n ILE 126 Ca -0.15 -0.16 -0.40 0.00 -0.27 0.00 0.00 62.75 61.77 1mbh n ILE 126 Cb 0.44 -1.61 -0.03 0.00 -1.74 0.00 0.00 39.64 36.70 1mbh n ILE 126 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mbh n GLY 127 N 2.52 3.33 1.77 3.28 0.00 -1.26 -3.46 105.19 111.37 1mbh n GLY 127 Ca 0.03 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 6.22 0.00 0.02 1.61 4.81 -1.26 -4.93 118.16 124.62 1mbh n LYS 128 Ca 0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.95 1mbh n LYS 128 Cb 0.36 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.69 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 0.48 0.33 1.64 7.50 -1.90 -0.41 115.11 122.74 1mbh h GLN 129 Ca 0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 58.65 59.01 1mbh h GLN 129 Cb 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.47 1mbh h GLN 129 CO 0.00 0.57 -0.16 0.00 -1.50 0.00 0.00 178.83 177.74 1mbh h ARG 131 N -0.45 0.59 0.11 0.00 1.12 -1.82 -2.60 114.38 111.35 1mbh h ARG 131 Ca -0.04 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1mbh h ARG 131 Cb 0.35 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 1mbh h ARG 131 CO 0.07 0.39 -0.17 1.49 -3.11 0.00 0.00 179.97 178.64 1mbh h GLU 132 N 0.61 -0.28 -0.84 0.20 4.81 -0.81 0.16 114.58 118.43 1mbh h GLU 132 Ca 0.17 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.59 1mbh h GLU 132 Cb -0.05 0.06 -0.16 0.00 0.63 0.00 0.00 28.75 29.23 1mbh h GLU 132 CO -0.05 -0.19 -0.22 -0.09 -0.73 0.00 0.00 179.01 177.73 1mbh h ARG 133 N -0.29 -0.00 0.49 1.92 9.65 -0.90 -1.70 114.38 123.54 1mbh h ARG 133 Ca -0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1mbh h ARG 133 Cb 0.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1mbh h ARG 133 CO -0.05 -0.00 -0.24 2.35 2.80 0.00 0.00 179.97 184.83 1mbh h TRP 134 N -0.00 -0.61 0.00 2.20 2.91 -1.28 -2.40 115.95 116.77 1mbh h TRP 134 Ca 0.40 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.40 1mbh h TRP 134 Cb 0.61 0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.47 1mbh h TRP 134 CO -0.67 -0.30 0.00 0.72 -1.03 0.00 0.00 178.44 177.16 1mbh n HIS 135 N -5.30 0.00 0.04 2.65 8.25 0.03 -3.49 115.22 117.40 1mbh n HIS 135 Ca -0.11 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.34 1mbh n HIS 135 Cb 0.31 -0.08 -0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 0.06 1.07 0.00 0.41 3.02 -0.73 -5.01 115.26 114.08 1mbh n ASN 136 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1mbh n ASN 136 Cb 0.19 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 -3.47 0.00 -1.66 3.10 8.25 -0.92 -4.95 115.22 115.57 1mbh n HIS 137 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 1mbh n HIS 137 Cb 0.04 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 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 0.00 3.87 -0.40 2.41 2.34 -1.26 -4.90 118.68 120.74 1mbh s LEU 138 Ca 0.00 2.19 0.08 0.00 0.06 0.00 0.00 54.13 56.46 1mbh s LEU 138 Cb 0.00 -3.52 0.26 0.00 -0.56 0.00 0.00 46.19 42.37 1mbh s LEU 138 CO 0.00 -1.56 0.58 -3.20 -1.06 0.00 0.00 176.35 171.11 1mbh n ASN 139 N 9.85 -0.11 0.00 1.48 5.15 -1.25 -4.61 115.26 125.77 1mbh n ASN 139 Ca 0.25 -2.79 0.00 0.00 -0.60 0.00 0.00 54.58 51.44 1mbh n ASN 139 Cb 0.43 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1mbh n ASN 139 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1mbh n PRO 140 N 1.32 0.00 0.00 1.20 -0.04 -1.26 -5.10 135.00 131.11 1mbh n PRO 140 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1mbh n PRO 140 Cb 0.55 -0.45 0.00 0.00 -0.04 0.00 0.00 33.50 33.56 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85