#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mbh s ILE 91 N 0.00 1.57 -0.97 1.96 -1.09 -1.26 -4.83 121.20 116.58 1mbh s ILE 91 Ca 0.00 -2.00 -0.01 0.00 -2.23 0.00 0.00 60.65 56.41 1mbh s ILE 91 Cb 0.00 -2.88 -0.01 0.00 -1.58 0.00 0.00 42.46 37.99 1mbh s ILE 91 CO 0.00 -0.01 0.81 1.17 -1.23 0.00 0.00 174.94 175.69 1mbh n LYS 92 N -0.81 -4.91 -0.41 2.79 4.81 -1.26 -4.63 118.16 113.73 1mbh n LYS 92 Ca -0.04 0.70 0.06 0.00 -0.87 0.00 0.00 58.31 58.16 1mbh n LYS 92 Cb 0.67 -5.25 -0.01 0.00 0.02 0.00 0.00 35.03 30.46 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 -1.13 -1.52 1.58 3.14 0.00 -1.26 -3.66 105.19 102.34 1mbh n GLY 93 Ca -0.21 -1.16 -0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.22 0.92 -1.06 1.61 -0.04 -1.26 -4.95 135.00 128.00 1mbh n PRO 94 Ca 0.00 -0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.57 1mbh n PRO 94 Cb 0.19 -1.10 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 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 1.60 -3.20 -4.14 0.54 7.02 -1.24 -4.97 117.44 113.05 1mbh n TRP 95 Ca 0.02 1.32 -0.12 0.00 -1.02 0.00 0.00 57.50 57.69 1mbh n TRP 95 Cb 0.46 -2.36 -0.11 0.00 -2.42 0.00 0.00 31.31 26.88 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 -1.62 0.70 0.27 -0.99 -4.23 -1.26 -5.05 115.64 103.46 1mbh s THR 96 Ca 0.00 -1.64 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1mbh s THR 96 Cb 0.00 -1.32 0.26 0.00 1.34 0.00 0.00 72.50 72.79 1mbh s THR 96 CO 0.00 -0.67 1.86 0.50 -0.54 0.00 0.00 174.62 175.77 1mbh h LYS 97 N 3.51 1.05 -0.18 3.99 1.63 -1.99 0.45 116.57 125.04 1mbh h LYS 97 Ca -0.36 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.35 1mbh h LYS 97 Cb 1.18 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 1mbh h LYS 97 CO 0.56 0.69 -0.00 1.49 -3.45 0.00 0.00 179.45 178.74 1mbh h GLU 98 N 1.08 0.31 -0.74 1.90 4.81 -1.98 0.41 114.58 120.37 1mbh h GLU 98 Ca 0.44 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1mbh h GLU 98 Cb 0.27 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1mbh h GLU 98 CO -0.20 0.53 0.29 0.93 -0.73 0.00 0.00 179.01 179.83 1mbh h GLU 99 N 0.06 1.10 -0.33 1.92 5.08 -1.83 -2.06 114.58 118.51 1mbh h GLU 99 Ca 0.05 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1mbh h GLU 99 Cb 0.39 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1mbh h GLU 99 CO 0.01 0.89 0.04 -0.44 -1.00 0.00 0.00 179.01 178.51 1mbh h ASP 100 N 1.07 0.55 -0.95 1.42 3.32 -0.81 -2.87 116.42 118.15 1mbh h ASP 100 Ca 0.25 -0.28 0.13 0.00 0.02 0.00 0.00 57.03 57.15 1mbh h ASP 100 Cb 0.21 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 39.53 1mbh h ASP 100 CO -0.02 0.69 0.60 -0.61 -1.72 0.00 0.00 179.24 178.18 1mbh h GLN 101 N 0.39 0.81 -0.28 3.56 5.75 -0.42 0.13 115.11 125.05 1mbh h GLN 101 Ca 0.10 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1mbh h GLN 101 Cb 0.38 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1mbh h GLN 101 CO 0.01 0.54 0.16 0.00 -2.65 0.00 0.00 178.83 176.88 1mbh h ARG 102 N 0.83 0.39 -0.55 1.69 2.47 -1.17 -0.07 114.38 117.97 1mbh h ARG 102 Ca 0.48 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 59.12 1mbh h ARG 102 Cb 0.62 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 1mbh h ARG 102 CO -0.24 0.33 0.21 0.28 0.56 0.00 0.00 179.97 181.11 1mbh h VAL 103 N 0.34 1.23 -0.27 2.04 2.07 -1.08 -0.31 116.25 120.26 1mbh h VAL 103 Ca 0.10 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1mbh h VAL 103 Cb 0.05 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1mbh h VAL 103 CO -0.02 0.27 -0.02 0.40 0.02 0.00 0.00 177.57 178.23 1mbh h ILE 104 N 0.75 0.79 -0.13 4.57 2.04 -0.72 0.84 117.51 125.66 1mbh h ILE 104 Ca 0.18 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 66.04 1mbh h ILE 104 Cb 0.22 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1mbh h ILE 104 CO -0.01 0.01 0.02 -0.08 0.00 0.00 0.00 178.15 178.09 1mbh h GLU 105 N 0.06 0.07 -0.92 2.37 4.81 -0.72 -0.92 114.58 119.35 1mbh h GLU 105 Ca 0.13 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1mbh h GLU 105 Cb 0.17 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1mbh h GLU 105 CO -0.23 0.05 0.58 -0.07 -0.73 0.00 0.00 179.01 178.61 1mbh h LEU 106 N 0.08 1.07 -0.33 1.64 3.38 -0.44 0.18 115.31 120.89 1mbh h LEU 106 Ca 0.06 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1mbh h LEU 106 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1mbh h LEU 106 CO -0.08 0.80 -0.33 0.58 0.09 0.00 0.00 178.44 179.50 1mbh h VAL 107 N 1.25 1.29 -0.45 1.22 2.07 -0.63 0.13 116.25 121.12 1mbh h VAL 107 Ca 0.33 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1mbh h VAL 107 Cb -0.11 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1mbh h VAL 107 CO -0.07 0.49 0.07 -0.61 0.02 0.00 0.00 177.57 177.47 1mbh h GLN 108 N 0.57 0.70 0.27 1.57 4.15 -0.75 0.10 115.11 121.73 1mbh h GLN 108 Ca 0.05 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1mbh h GLN 108 Cb 0.91 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.50 1mbh h GLN 108 CO 0.08 0.67 -0.13 -0.22 -1.93 0.00 0.00 178.83 177.30 1mbh h LYS 109 N 0.67 -0.36 0.00 1.69 3.64 -0.44 -3.42 116.57 118.36 1mbh h LYS 109 Ca 0.15 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1mbh h LYS 109 Cb 0.31 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1mbh h LYS 109 CO 0.00 -0.15 -0.02 1.88 -2.27 0.00 0.00 179.45 178.89 1mbh h TYR 110 N -1.06 0.00 0.00 1.91 0.05 -0.79 -3.51 116.97 113.57 1mbh h TYR 110 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1mbh h TYR 110 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1mbh h TYR 110 CO 0.02 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.54 1mbh n GLY 111 N 1.86 0.82 3.59 3.88 0.00 0.35 -5.03 105.19 110.66 1mbh n GLY 111 Ca -0.00 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.49 0.09 3.38 1.61 0.04 -1.26 -4.62 135.00 132.75 1mbh s PRO 112 Ca 0.00 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1mbh s PRO 112 Cb 0.00 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1mbh s PRO 112 CO 0.00 -3.12 0.00 1.63 0.04 0.00 0.00 177.00 175.55 1mbh n LYS 113 N -4.52 0.00 -3.77 4.56 5.02 -1.26 -4.90 118.16 113.29 1mbh n LYS 113 Ca 0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.07 1mbh n LYS 113 Cb 0.54 0.00 0.03 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 0.00 -5.58 0.26 1.97 1.74 -1.26 -4.84 116.66 108.95 1mbh n ARG 114 Ca 0.00 0.63 0.13 0.00 -0.77 0.00 0.00 57.85 57.84 1mbh n ARG 114 Cb 0.00 -5.53 0.73 0.00 -1.02 0.00 0.00 32.46 26.64 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 -2.01 0.00 -0.50 -1.55 4.06 -1.91 -0.84 115.95 113.20 1mbh h TRP 115 Ca -0.56 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.32 1mbh h TRP 115 Cb 1.37 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.51 1mbh h TRP 115 CO 0.57 0.11 0.06 1.03 -3.56 0.00 0.00 178.44 176.65 1mbh h SER 116 N 0.00 0.81 0.01 -3.49 0.87 -1.91 0.67 113.55 110.52 1mbh h SER 116 Ca -0.00 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1mbh h SER 116 Cb 0.34 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1mbh h SER 116 CO 0.01 0.88 -0.00 0.58 -0.53 0.00 0.00 176.83 177.77 1mbh h VAL 117 N 0.71 1.43 -0.77 2.23 2.07 -1.71 -2.76 116.25 117.45 1mbh h VAL 117 Ca 0.15 -1.34 0.08 0.00 0.82 0.00 0.00 66.70 66.41 1mbh h VAL 117 Cb 0.43 2.33 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 1mbh h VAL 117 CO 0.01 0.34 0.44 0.40 0.02 0.00 0.00 177.57 178.79 1mbh h ILE 118 N -0.59 0.94 -0.80 4.57 2.04 -1.18 -1.29 117.51 121.20 1mbh h ILE 118 Ca -0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1mbh h ILE 118 Cb 0.57 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1mbh h ILE 118 CO 0.00 0.14 0.50 0.00 0.00 0.00 0.00 178.15 178.79 1mbh h ALA 119 N 1.42 1.38 -0.19 1.87 0.00 -0.88 0.12 119.26 122.97 1mbh h ALA 119 Ca 0.36 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1mbh h ALA 119 Cb 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1mbh h ALA 119 CO -0.22 0.55 0.24 -0.22 0.00 0.00 0.00 179.25 179.60 1mbh h LYS 120 N 1.10 0.00 0.00 0.00 1.63 -0.93 -2.03 116.57 116.34 1mbh h LYS 120 Ca 0.29 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.73 1mbh h LYS 120 Cb -0.08 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.49 1mbh h LYS 120 CO -0.06 0.00 -2.35 0.72 -3.45 0.00 0.00 179.45 174.31 1mbh n HIS 121 N -3.67 0.00 -1.74 1.91 8.25 -0.45 -4.52 115.22 115.00 1mbh n HIS 121 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 1mbh n HIS 121 Cb 0.36 -0.95 -0.00 0.00 1.12 0.00 0.00 29.99 30.52 1mbh n HIS 121 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1mbh n LEU 122 N -2.91 7.22 -4.56 2.41 -0.00 0.29 -4.91 117.00 114.55 1mbh n LEU 122 Ca -0.36 -4.27 -0.27 0.00 -0.00 0.00 0.00 56.01 51.11 1mbh n LEU 122 Cb 1.06 -1.61 -0.05 0.00 -0.00 0.00 0.00 43.42 42.83 1mbh n LEU 122 CO 0.34 1.35 1.53 -0.54 -0.00 0.00 0.00 177.39 180.07 1mbh s LYS 123 N 2.51 2.12 0.00 1.96 1.02 -1.24 -1.82 119.74 124.29 1mbh s LYS 123 Ca 0.50 0.57 0.00 0.00 0.02 0.00 0.00 55.97 57.07 1mbh s LYS 123 Cb 0.14 -4.73 0.00 0.00 -0.52 0.00 0.00 37.83 32.73 1mbh s LYS 123 CO -0.07 -3.61 0.00 0.41 -0.92 0.00 0.00 175.35 171.16 1mbh n GLY 124 N 6.41 1.29 3.09 -3.33 0.00 -1.26 -5.12 105.19 106.27 1mbh n GLY 124 Ca 0.38 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 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 2.14 0.98 1.61 1.81 -0.76 -5.10 118.95 119.63 1mbh s ARG 125 Ca 0.00 -0.57 -0.15 0.00 -1.72 0.00 0.00 55.73 53.29 1mbh s ARG 125 Cb 0.00 -1.70 0.19 0.00 -0.45 0.00 0.00 34.95 32.99 1mbh s ARG 125 CO 0.00 0.08 1.20 0.96 -0.68 0.00 0.00 175.30 176.87 1mbh s ILE 126 N 0.54 1.91 0.26 1.52 -4.36 -1.26 -4.69 121.20 115.13 1mbh s ILE 126 Ca -0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.21 1mbh s ILE 126 Cb -0.16 -2.81 0.24 0.00 1.25 0.00 0.00 42.46 40.97 1mbh s ILE 126 CO 0.05 0.00 1.79 1.23 0.24 0.00 0.00 174.94 178.26 1mbh h GLY 127 N -1.73 1.39 0.82 6.27 0.00 -1.92 -0.42 103.07 107.47 1mbh h GLY 127 Ca -0.47 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 46.58 1mbh h GLY 127 CO 0.48 0.05 0.09 1.70 0.00 0.00 0.00 176.54 178.86 1mbh h LYS 128 N 0.74 0.21 0.06 4.80 1.63 -1.92 0.17 116.57 122.25 1mbh h LYS 128 Ca 0.45 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.23 1mbh h LYS 128 Cb 0.53 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1mbh h LYS 128 CO -0.30 0.14 -0.03 1.96 -3.45 0.00 0.00 179.45 177.77 1mbh h GLN 129 N 0.21 -0.07 -0.44 1.90 4.20 -1.70 0.32 115.11 119.53 1mbh h GLN 129 Ca 0.11 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.91 1mbh h GLN 129 Cb 0.07 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.78 1mbh h GLN 129 CO -0.10 0.21 -0.10 0.00 -0.67 0.00 0.00 178.83 178.17 1mbh h ARG 131 N 0.01 0.31 0.29 0.00 1.12 -0.87 -2.49 114.38 112.75 1mbh h ARG 131 Ca 0.21 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.05 1mbh h ARG 131 Cb 0.32 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.20 1mbh h ARG 131 CO -0.45 0.24 -0.32 1.49 -3.11 0.00 0.00 179.97 177.82 1mbh h GLU 132 N 0.30 -0.60 -0.90 0.20 4.81 0.10 -0.21 114.58 118.28 1mbh h GLU 132 Ca 0.08 0.04 0.25 0.00 -0.13 0.00 0.00 59.36 59.60 1mbh h GLU 132 Cb 0.00 0.14 -0.15 0.00 0.63 0.00 0.00 28.75 29.36 1mbh h GLU 132 CO -0.02 -0.40 0.17 -0.09 -0.73 0.00 0.00 179.01 177.94 1mbh h ARG 133 N -0.62 0.13 0.17 1.92 9.65 -0.81 0.03 114.38 124.84 1mbh h ARG 133 Ca -0.04 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1mbh h ARG 133 Cb 0.55 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1mbh h ARG 133 CO -0.05 0.08 -0.08 2.35 2.80 0.00 0.00 179.97 185.07 1mbh h TRP 134 N 0.13 -0.21 -0.23 2.20 2.91 -1.05 -2.96 115.95 116.73 1mbh h TRP 134 Ca 0.57 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.57 1mbh h TRP 134 Cb 1.16 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.87 1mbh h TRP 134 CO -0.33 -0.13 0.12 0.45 -1.03 0.00 0.00 178.44 177.51 1mbh h HIS 135 N -0.36 0.30 0.00 2.65 3.86 -0.81 -1.33 115.15 119.46 1mbh h HIS 135 Ca -0.02 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.10 1mbh h HIS 135 Cb 0.18 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1mbh h HIS 135 CO 0.09 0.22 -0.43 -0.91 0.86 0.00 0.00 177.93 177.77 1mbh h ASN 136 N 0.32 0.00 0.00 2.45 2.35 -1.11 -3.46 115.58 116.13 1mbh h ASN 136 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1mbh h ASN 136 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1mbh h ASN 136 CO -0.01 0.43 0.00 1.41 -1.65 0.00 0.00 177.43 177.61 1mbh n HIS 137 N -3.63 0.00 -1.61 1.19 8.25 -0.51 -5.06 115.22 113.85 1mbh n HIS 137 Ca -0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 1mbh n HIS 137 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 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 3.43 -2.82 2.41 -0.00 -1.18 -4.87 117.00 113.97 1mbh n LEU 138 Ca 0.00 0.44 -0.11 0.00 -0.00 0.00 0.00 56.01 56.34 1mbh n LEU 138 Cb 0.00 -1.52 0.03 0.00 -0.00 0.00 0.00 43.42 41.94 1mbh n LEU 138 CO 0.00 -0.43 0.13 -3.20 -0.00 0.00 0.00 177.39 173.89 1mbh n ASN 139 N 10.24 -2.31 0.00 1.45 4.05 -1.25 -4.51 115.26 122.93 1mbh n ASN 139 Ca 0.28 -3.25 0.00 0.00 0.45 0.00 0.00 54.58 52.05 1mbh n ASN 139 Cb 0.41 1.43 0.00 0.00 1.23 0.00 0.00 39.78 42.85 1mbh n ASN 139 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1mbh n PRO 140 N 1.45 0.00 -0.06 1.20 -0.04 -1.26 -5.04 135.00 131.24 1mbh n PRO 140 Ca 0.11 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1mbh n PRO 140 Cb 0.62 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85