#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 -0.72 -0.32 -0.08 2.08 -1.26 -5.10 119.36 113.96 1mbh n ILE 91 Ca 0.00 0.63 0.00 0.00 0.56 0.00 0.00 62.75 63.94 1mbh n ILE 91 Cb 0.00 -0.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.93 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 -3.32 0.00 -0.95 0.38 3.00 -1.26 -5.16 118.16 110.85 1mbh n LYS 92 Ca -0.05 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.96 1mbh n LYS 92 Cb 0.41 0.00 0.23 0.00 0.00 0.00 0.00 35.03 35.67 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 0.00 1.55 -0.91 3.14 0.00 -1.26 -4.83 107.32 105.01 1mbh s GLY 93 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 44.72 43.83 1mbh s GLY 93 CO 0.00 0.13 1.97 -1.55 0.00 0.00 0.00 173.10 173.65 1mbh n PRO 94 N -4.75 1.75 -1.47 2.90 -0.04 -1.26 -4.84 135.00 127.29 1mbh n PRO 94 Ca 0.09 -2.02 0.19 0.00 -0.04 0.00 0.00 63.50 61.73 1mbh n PRO 94 Cb 0.58 -3.03 -0.06 0.00 -0.04 0.00 0.00 33.50 30.95 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 7.65 -3.77 -4.15 0.54 7.02 -1.26 -5.01 117.44 118.47 1mbh n TRP 95 Ca 0.50 1.94 -0.09 0.00 -1.02 0.00 0.00 57.50 58.83 1mbh n TRP 95 Cb 0.41 -3.42 -0.10 0.00 -2.42 0.00 0.00 31.31 25.77 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 -2.93 0.50 0.29 -0.99 -4.23 -1.26 -5.04 115.64 101.97 1mbh s THR 96 Ca 0.00 -1.89 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1mbh s THR 96 Cb 0.00 -1.68 0.26 0.00 1.34 0.00 0.00 72.50 72.43 1mbh s THR 96 CO 0.00 -0.87 1.96 0.50 -0.54 0.00 0.00 174.62 175.67 1mbh h LYS 97 N 3.01 1.11 -0.23 3.99 1.63 -1.98 0.56 116.57 124.65 1mbh h LYS 97 Ca -0.35 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.35 1mbh h LYS 97 Cb 1.16 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 1mbh h LYS 97 CO 0.65 0.74 0.00 1.49 -3.45 0.00 0.00 179.45 178.88 1mbh h GLU 98 N 1.15 0.41 -0.34 1.90 4.81 -1.98 0.21 114.58 120.73 1mbh h GLU 98 Ca 0.32 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1mbh h GLU 98 Cb -0.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1mbh h GLU 98 CO -0.08 0.59 0.21 1.49 -0.73 0.00 0.00 179.01 180.50 1mbh h GLU 99 N 0.18 0.46 -0.89 1.92 4.81 -1.86 -0.43 114.58 118.77 1mbh h GLU 99 Ca 0.07 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1mbh h GLU 99 Cb 0.40 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 1mbh h GLU 99 CO 0.01 0.33 0.47 -0.44 -0.73 0.00 0.00 179.01 178.65 1mbh h ASP 100 N 0.45 1.12 -0.49 1.04 3.32 -0.78 -1.27 116.42 119.81 1mbh h ASP 100 Ca 0.12 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1mbh h ASP 100 Cb -0.02 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1mbh h ASP 100 CO -0.02 0.91 0.27 -0.61 -1.72 0.00 0.00 179.24 178.07 1mbh h GLN 101 N 1.25 0.72 -0.46 3.56 5.75 0.03 -0.42 115.11 125.54 1mbh h GLN 101 Ca 0.31 -0.08 -0.10 0.00 -0.15 0.00 0.00 58.65 58.63 1mbh h GLN 101 Cb 0.05 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 1mbh h GLN 101 CO -0.05 0.55 -0.11 -0.09 -2.65 0.00 0.00 178.83 176.48 1mbh h ARG 102 N 0.73 0.89 0.07 1.69 9.65 -0.06 -0.80 114.38 126.54 1mbh h ARG 102 Ca 0.19 -0.34 0.01 0.00 -1.10 0.00 0.00 59.98 58.73 1mbh h ARG 102 Cb 0.05 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1mbh h ARG 102 CO -0.03 0.98 -0.08 0.28 2.80 0.00 0.00 179.97 183.92 1mbh h VAL 103 N 0.73 0.81 -0.59 0.20 2.07 -0.40 -0.38 116.25 118.69 1mbh h VAL 103 Ca 0.12 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.76 1mbh h VAL 103 Cb 0.65 0.81 -0.10 0.00 -1.52 0.00 0.00 31.29 31.14 1mbh h VAL 103 CO 0.04 0.00 0.03 0.40 0.02 0.00 0.00 177.57 178.07 1mbh h ILE 104 N -0.17 0.55 0.32 4.57 2.04 -0.97 0.15 117.51 123.99 1mbh h ILE 104 Ca 0.01 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1mbh h ILE 104 Cb 0.17 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1mbh h ILE 104 CO -0.03 0.03 -0.36 -0.33 0.00 0.00 0.00 178.15 177.45 1mbh h GLU 105 N 0.15 -0.70 -0.49 2.37 5.08 -0.49 0.22 114.58 120.72 1mbh h GLU 105 Ca 0.31 0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.64 1mbh h GLU 105 Cb 0.48 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1mbh h GLU 105 CO -0.47 -0.46 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.00 1mbh h LEU 106 N -0.72 0.79 -0.38 1.33 3.38 -0.53 -0.29 115.31 118.89 1mbh h LEU 106 Ca -0.02 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.60 1mbh h LEU 106 Cb 0.67 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1mbh h LEU 106 CO -0.09 0.86 -0.36 0.58 0.09 0.00 0.00 178.44 179.51 1mbh h VAL 107 N 0.77 1.27 -0.34 1.22 2.07 -0.58 0.28 116.25 120.94 1mbh h VAL 107 Ca 0.15 -1.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.05 1mbh h VAL 107 Cb 0.47 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1mbh h VAL 107 CO 0.02 0.51 -0.13 -0.61 0.02 0.00 0.00 177.57 177.39 1mbh h GLN 108 N 0.74 0.59 0.55 1.57 4.15 -0.72 0.16 115.11 122.15 1mbh h GLN 108 Ca 0.06 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.28 1mbh h GLN 108 Cb 0.96 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.60 1mbh h GLN 108 CO 0.09 0.70 -0.26 -0.22 -1.93 0.00 0.00 178.83 177.21 1mbh h LYS 109 N 0.54 -0.71 0.00 1.69 3.64 -0.74 -3.42 116.57 117.57 1mbh h LYS 109 Ca 0.10 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1mbh h LYS 109 Cb 0.54 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1mbh h LYS 109 CO 0.03 -0.47 -0.09 1.88 -2.27 0.00 0.00 179.45 178.53 1mbh h TYR 110 N -1.10 0.00 0.00 1.91 0.05 -0.98 -3.51 116.97 113.34 1mbh h TYR 110 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1mbh h TYR 110 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1mbh h TYR 110 CO 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 1mbh n GLY 111 N 1.76 2.47 3.43 3.88 0.00 0.56 -5.03 105.19 112.26 1mbh n GLY 111 Ca -0.01 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.46 -2.58 0.00 1.61 -0.04 -1.26 -4.65 135.00 126.62 1mbh n PRO 112 Ca 0.00 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1mbh n PRO 112 Cb 0.00 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 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 -4.71 0.00 -3.47 0.54 5.02 -1.26 -4.94 118.16 109.34 1mbh n LYS 113 Ca 0.02 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 1mbh n LYS 113 Cb 0.55 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.65 1mbh n LYS 113 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1mbh n ARG 114 N 0.00 -6.85 -1.45 1.97 0.63 -1.26 -4.85 116.66 104.84 1mbh n ARG 114 Ca 0.00 0.84 -0.40 0.00 -0.92 0.00 0.00 57.85 57.37 1mbh n ARG 114 Cb 0.00 -5.86 -0.02 0.00 0.45 0.00 0.00 32.46 27.03 1mbh n ARG 114 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1mbh n TRP 115 N -4.31 2.77 0.10 -0.14 7.02 -1.26 -3.21 117.44 118.41 1mbh n TRP 115 Ca -0.23 -3.06 0.00 0.00 -1.02 0.00 0.00 57.50 53.19 1mbh n TRP 115 Cb 0.65 -2.51 0.00 0.00 -2.42 0.00 0.00 31.31 27.03 1mbh n TRP 115 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1mbh n SER 116 N 4.34 -1.19 -0.05 -0.99 2.88 -1.26 -4.29 113.62 113.05 1mbh n SER 116 Ca 0.70 0.35 -0.11 0.00 -1.33 0.00 0.00 58.87 58.48 1mbh n SER 116 Cb 0.28 1.30 -0.05 0.00 -0.75 0.00 0.00 64.21 64.99 1mbh n SER 116 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1mbh h VAL 117 N 0.00 1.23 -0.37 2.46 2.07 -1.94 -0.00 116.25 119.68 1mbh h VAL 117 Ca 0.00 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1mbh h VAL 117 Cb 0.00 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1mbh h VAL 117 CO 0.00 0.22 0.17 0.40 0.02 0.00 0.00 177.57 178.38 1mbh h ILE 118 N 0.08 1.18 -0.81 4.57 2.04 -1.89 -2.82 117.51 119.85 1mbh h ILE 118 Ca 0.05 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1mbh h ILE 118 Cb 0.32 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1mbh h ILE 118 CO 0.00 0.19 0.53 0.00 0.00 0.00 0.00 178.15 178.87 1mbh h ALA 119 N 1.02 1.05 -0.06 1.87 0.00 -1.78 -0.84 119.26 120.51 1mbh h ALA 119 Ca 0.13 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1mbh h ALA 119 Cb 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1mbh h ALA 119 CO -0.01 0.39 0.07 0.87 0.00 0.00 0.00 179.25 180.57 1mbh h LYS 120 N 1.06 0.00 0.10 0.00 1.57 -0.74 -2.15 116.57 116.41 1mbh h LYS 120 Ca 0.31 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.85 1mbh h LYS 120 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1mbh h LYS 120 CO -0.09 0.00 -1.26 0.45 -0.57 0.00 0.00 179.45 177.99 1mbh h HIS 121 N 0.00 0.38 0.00 -1.35 3.86 -1.11 -3.38 115.15 113.55 1mbh h HIS 121 Ca 0.03 -0.27 -0.70 0.00 -1.16 0.00 0.00 60.37 58.26 1mbh h HIS 121 Cb 0.16 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 1mbh h HIS 121 CO 0.00 1.49 3.19 1.28 0.86 0.00 0.00 177.93 184.75 1mbh n LEU 122 N -4.03 6.98 -4.55 2.43 4.77 -0.44 -4.91 117.00 117.25 1mbh n LEU 122 Ca -0.24 -4.11 -0.34 0.00 -0.03 0.00 0.00 56.01 51.28 1mbh n LEU 122 Cb 0.84 -1.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 1mbh n LEU 122 CO 0.39 1.17 1.85 -0.54 -1.33 0.00 0.00 177.39 178.92 1mbh s LYS 123 N 3.15 2.17 0.00 3.23 1.02 -1.24 -1.84 119.74 126.22 1mbh s LYS 123 Ca 0.50 1.12 0.00 0.00 0.02 0.00 0.00 55.97 57.61 1mbh s LYS 123 Cb 0.14 -4.58 0.00 0.00 -0.52 0.00 0.00 37.83 32.88 1mbh s LYS 123 CO -0.08 -3.28 0.00 0.41 -0.92 0.00 0.00 175.35 171.48 1mbh n GLY 124 N 6.04 0.87 3.10 -3.33 0.00 -1.26 -5.11 105.19 105.50 1mbh n GLY 124 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 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 2.64 1.17 1.61 1.81 -0.77 -4.84 118.95 120.57 1mbh s ARG 125 Ca 0.00 -0.71 -0.20 0.00 -1.72 0.00 0.00 55.73 53.10 1mbh s ARG 125 Cb 0.00 -2.22 0.28 0.00 -0.45 0.00 0.00 34.95 32.56 1mbh s ARG 125 CO 0.00 -0.09 1.20 0.96 -0.68 0.00 0.00 175.30 176.68 1mbh s ILE 126 N 1.04 1.67 -1.16 1.52 -4.36 -1.26 -4.76 121.20 113.89 1mbh s ILE 126 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 60.65 60.28 1mbh s ILE 126 Cb -0.15 -2.66 -0.11 0.00 1.25 0.00 0.00 42.46 40.80 1mbh s ILE 126 CO -0.05 0.00 2.80 0.61 0.24 0.00 0.00 174.94 178.54 1mbh n GLY 127 N -1.91 3.69 2.10 6.27 0.00 -1.26 -3.27 105.19 110.81 1mbh n GLY 127 Ca 0.16 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 3.55 0.00 -0.28 1.61 4.81 -1.26 -4.79 118.16 121.80 1mbh n LYS 128 Ca 0.63 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 58.03 1mbh n LYS 128 Cb 0.31 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.47 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 1.16 -0.67 1.64 4.20 -1.91 -1.44 115.11 118.10 1mbh h GLN 129 Ca 0.00 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1mbh h GLN 129 Cb 0.00 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.53 1mbh h GLN 129 CO 0.00 0.88 0.28 0.00 -0.67 0.00 0.00 178.83 179.32 1mbh h ARG 131 N 0.93 -0.91 -0.92 0.00 1.12 -1.67 -2.14 114.38 110.79 1mbh h ARG 131 Ca 0.22 0.06 0.00 0.00 -1.11 0.00 0.00 59.98 59.16 1mbh h ARG 131 Cb 0.18 0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 30.30 1mbh h ARG 131 CO -0.02 -0.61 0.58 1.05 -3.11 0.00 0.00 179.97 177.86 1mbh h GLU 132 N -0.96 1.22 -1.01 0.20 4.11 -1.31 -0.46 114.58 116.38 1mbh h GLU 132 Ca -0.10 -0.09 0.14 0.00 0.07 0.00 0.00 59.36 59.38 1mbh h GLU 132 Cb 0.73 -0.27 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 1mbh h GLU 132 CO 0.16 0.83 0.63 -0.09 0.07 0.00 0.00 179.01 180.61 1mbh h ARG 133 N 1.25 0.91 -0.87 1.06 9.65 -1.08 0.14 114.38 125.44 1mbh h ARG 133 Ca 0.33 -0.05 -0.29 0.00 -1.10 0.00 0.00 59.98 58.87 1mbh h ARG 133 Cb -0.11 -0.21 -0.17 0.00 -1.39 0.00 0.00 29.97 28.09 1mbh h ARG 133 CO -0.07 0.60 0.37 1.87 2.80 0.00 0.00 179.97 185.54 1mbh n TRP 134 N -4.66 2.35 -2.48 2.20 -0.00 -0.27 -3.55 117.44 111.04 1mbh n TRP 134 Ca 0.20 -1.30 -0.03 0.00 -0.00 0.00 0.00 57.50 56.38 1mbh n TRP 134 Cb 0.41 -0.71 0.05 0.00 -0.00 0.00 0.00 31.31 31.06 1mbh n TRP 134 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 1mbh n HIS 135 N -0.41 -0.82 0.03 5.87 8.25 0.44 -4.61 115.22 123.97 1mbh n HIS 135 Ca 0.42 -1.31 0.00 0.00 -0.26 0.00 0.00 57.72 56.57 1mbh n HIS 135 Cb 1.36 0.85 0.00 0.00 1.12 0.00 0.00 29.99 33.32 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 -0.78 -0.07 -0.07 0.41 3.02 -0.82 -4.87 115.26 112.07 1mbh n ASN 136 Ca -0.15 0.09 -0.12 0.00 -0.03 0.00 0.00 54.58 54.37 1mbh n ASN 136 Cb 0.84 0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 40.10 1mbh n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mbh n HIS 137 N -2.66 0.00 -1.37 3.10 1.44 -1.26 -5.05 115.22 109.42 1mbh n HIS 137 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 1mbh n HIS 137 Cb 0.00 -0.48 0.10 0.00 0.12 0.00 0.00 29.99 29.73 1mbh n HIS 137 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1mbh n LEU 138 N -4.09 0.00 -0.37 2.39 4.32 -1.23 -4.91 117.00 113.12 1mbh n LEU 138 Ca -0.20 -0.71 0.00 0.00 -0.02 0.00 0.00 56.01 55.08 1mbh n LEU 138 Cb 0.51 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1mbh n LEU 138 CO 0.11 -1.05 0.00 -3.20 -1.22 0.00 0.00 177.39 172.03 1mbh n ASN 139 N -3.49 -0.49 0.04 -1.43 2.85 -1.26 -4.23 115.26 107.25 1mbh n ASN 139 Ca 0.08 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.53 1mbh n ASN 139 Cb 0.29 -0.21 -0.01 0.00 1.24 0.00 0.00 39.78 41.09 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 0.00 -0.14 0.00 1.20 0.13 -1.96 -3.50 132.00 127.73 1mbh h PRO 140 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1mbh h PRO 140 Cb 0.25 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.41 1mbh h PRO 140 CO 0.00 -0.10 0.00 0.39 -0.23 0.00 0.00 178.00 178.06