#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 4.32 -4.28 -0.08 2.08 -1.26 -4.88 119.36 115.26 1mbh n ILE 91 Ca 0.00 -2.76 -0.34 0.00 0.56 0.00 0.00 62.75 60.20 1mbh n ILE 91 Cb 0.00 -2.44 -0.13 0.00 -0.75 0.00 0.00 39.64 36.32 1mbh n ILE 91 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1mbh s LYS 92 N 1.39 3.53 0.50 0.38 2.20 -1.26 -4.87 119.74 121.62 1mbh s LYS 92 Ca 0.67 -0.58 0.08 0.00 -0.36 0.00 0.00 55.97 55.78 1mbh s LYS 92 Cb 0.20 -2.92 0.04 0.00 -1.51 0.00 0.00 37.83 33.64 1mbh s LYS 92 CO -0.06 0.07 0.57 0.20 -0.36 0.00 0.00 175.35 175.78 1mbh s GLY 93 N 0.78 2.00 -0.39 5.54 0.00 -1.26 -5.01 107.32 108.99 1mbh s GLY 93 Ca -0.02 -1.80 -0.27 0.00 0.00 0.00 0.00 44.72 42.63 1mbh s GLY 93 CO 0.02 -1.71 2.18 2.56 0.00 0.00 0.00 173.10 176.15 1mbh s PRO 94 N -4.41 2.70 0.20 2.90 0.04 -1.26 -4.91 135.00 130.27 1mbh s PRO 94 Ca 0.51 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 1mbh s PRO 94 Cb -0.05 -4.43 -0.10 0.00 0.04 0.00 0.00 34.50 29.96 1mbh s PRO 94 CO 0.31 -2.60 1.51 -1.58 0.04 0.00 0.00 177.00 174.69 1mbh s TRP 95 N 9.68 3.04 0.22 0.56 0.52 -1.26 -5.00 118.94 126.69 1mbh s TRP 95 Ca 0.92 0.80 -0.01 0.00 0.02 0.00 0.00 56.10 57.83 1mbh s TRP 95 Cb -0.23 -3.88 -0.04 0.00 -1.15 0.00 0.00 33.47 28.17 1mbh s TRP 95 CO 0.30 -3.10 0.42 0.95 0.02 0.00 0.00 176.95 175.53 1mbh s THR 96 N 0.64 5.18 0.22 2.01 -4.23 -1.26 -4.97 115.64 113.23 1mbh s THR 96 Ca 0.65 -0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 60.77 1mbh s THR 96 Cb -0.43 -3.74 0.17 0.00 1.34 0.00 0.00 72.50 69.84 1mbh s THR 96 CO 0.37 -0.20 1.77 0.50 -0.54 0.00 0.00 174.62 176.52 1mbh h LYS 97 N 1.92 0.55 -0.32 3.99 3.64 -1.99 -0.50 116.57 123.86 1mbh h LYS 97 Ca -0.48 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1mbh h LYS 97 Cb 1.19 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1mbh h LYS 97 CO 0.67 0.36 0.17 0.93 -2.27 0.00 0.00 179.45 179.31 1mbh h GLU 98 N 0.56 0.45 -0.39 1.90 3.07 -1.98 0.90 114.58 119.09 1mbh h GLU 98 Ca 0.34 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.17 1mbh h GLU 98 Cb 0.38 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1mbh h GLU 98 CO -0.28 0.39 0.21 1.49 -1.40 0.00 0.00 179.01 179.43 1mbh h GLU 99 N 0.39 0.42 -0.21 2.33 4.81 -1.76 -0.26 114.58 120.30 1mbh h GLU 99 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1mbh h GLU 99 Cb 0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1mbh h GLU 99 CO -0.02 0.28 0.10 -0.44 -0.73 0.00 0.00 179.01 178.20 1mbh h ASP 100 N 0.43 0.28 -0.87 1.04 3.32 -0.84 -1.56 116.42 118.22 1mbh h ASP 100 Ca 0.16 -0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.15 1mbh h ASP 100 Cb 0.04 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 1mbh h ASP 100 CO -0.09 0.32 0.54 -0.61 -1.72 0.00 0.00 179.24 177.68 1mbh h GLN 101 N 0.22 0.95 -0.55 3.56 5.75 -0.49 -0.96 115.11 123.58 1mbh h GLN 101 Ca 0.07 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1mbh h GLN 101 Cb 0.11 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 1mbh h GLN 101 CO -0.01 0.63 0.22 0.00 -2.65 0.00 0.00 178.83 177.01 1mbh h ARG 102 N 0.97 0.83 0.09 1.69 3.08 -0.74 -0.88 114.38 119.42 1mbh h ARG 102 Ca 0.38 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.29 1mbh h ARG 102 Cb 0.18 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1mbh h ARG 102 CO -0.18 0.72 -0.12 0.28 -1.07 0.00 0.00 179.97 179.60 1mbh h VAL 103 N 0.76 0.72 -0.20 2.04 2.07 -0.32 0.77 116.25 122.09 1mbh h VAL 103 Ca 0.18 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.76 1mbh h VAL 103 Cb 0.20 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1mbh h VAL 103 CO -0.01 0.00 -0.19 0.40 0.02 0.00 0.00 177.57 177.78 1mbh h ILE 104 N -0.25 0.49 0.32 4.57 2.04 -1.00 0.11 117.51 123.80 1mbh h ILE 104 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1mbh h ILE 104 Cb 0.26 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1mbh h ILE 104 CO -0.06 0.00 -0.18 -0.08 0.00 0.00 0.00 178.15 177.84 1mbh h GLU 105 N -0.21 -0.45 -0.88 2.37 4.81 -0.92 -0.73 114.58 118.57 1mbh h GLU 105 Ca 0.12 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1mbh h GLU 105 Cb 0.39 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 1mbh h GLU 105 CO -0.32 -0.30 0.58 -0.07 -0.73 0.00 0.00 179.01 178.16 1mbh h LEU 106 N -0.47 0.99 -0.43 1.64 3.38 -0.59 0.28 115.31 120.11 1mbh h LEU 106 Ca -0.04 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1mbh h LEU 106 Cb 0.38 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1mbh h LEU 106 CO 0.05 0.70 -0.06 0.58 0.09 0.00 0.00 178.44 179.81 1mbh h VAL 107 N 1.16 1.27 -0.11 1.22 2.07 -0.58 0.53 116.25 121.80 1mbh h VAL 107 Ca 0.33 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 1mbh h VAL 107 Cb -0.09 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1mbh h VAL 107 CO -0.08 0.39 -0.38 -0.61 0.02 0.00 0.00 177.57 176.90 1mbh h GLN 108 N 0.63 0.24 0.43 1.57 4.15 -0.44 0.17 115.11 121.84 1mbh h GLN 108 Ca 0.11 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1mbh h GLN 108 Cb 0.58 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1mbh h GLN 108 CO 0.03 0.59 -0.20 -0.22 -1.93 0.00 0.00 178.83 177.10 1mbh h LYS 109 N 0.20 -0.55 0.00 1.69 3.64 -0.15 -3.41 116.57 117.99 1mbh h LYS 109 Ca 0.02 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1mbh h LYS 109 Cb 0.77 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1mbh h LYS 109 CO 0.06 -0.37 -0.18 1.88 -2.27 0.00 0.00 179.45 178.57 1mbh h TYR 110 N -1.09 0.00 0.00 1.91 0.05 -0.97 -3.51 116.97 113.36 1mbh h TYR 110 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1mbh h TYR 110 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 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 1.75 1.32 3.51 3.88 0.00 0.58 -5.04 105.19 111.19 1mbh n GLY 111 Ca -0.03 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.73 -0.69 4.01 1.61 0.04 -1.26 -4.58 135.00 132.41 1mbh s PRO 112 Ca 0.00 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1mbh s PRO 112 Cb 0.00 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.97 1mbh s PRO 112 CO 0.00 -3.60 0.00 1.63 0.04 0.00 0.00 177.00 175.07 1mbh n LYS 113 N -4.85 0.00 -3.91 4.56 5.02 -1.26 -4.90 118.16 112.83 1mbh n LYS 113 Ca 0.04 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.06 1mbh n LYS 113 Cb 0.54 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.56 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 0.78 -4.61 0.16 1.97 1.74 -1.26 -4.83 116.66 110.62 1mbh n ARG 114 Ca 0.00 0.54 0.13 0.00 -0.77 0.00 0.00 57.85 57.74 1mbh n ARG 114 Cb 0.00 -5.16 0.56 0.00 -1.02 0.00 0.00 32.46 26.84 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 -1.90 0.00 0.08 -1.55 4.06 -1.94 -2.55 115.95 112.14 1mbh h TRP 115 Ca -0.60 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.35 1mbh h TRP 115 Cb 1.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.53 1mbh h TRP 115 CO 0.53 0.00 -0.04 1.03 -3.56 0.00 0.00 178.44 176.41 1mbh h SER 116 N 0.00 -0.09 0.14 -3.49 0.87 -1.94 0.12 113.55 109.17 1mbh h SER 116 Ca 0.00 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1mbh h SER 116 Cb 0.30 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1mbh h SER 116 CO 0.00 0.20 -0.07 0.58 -0.53 0.00 0.00 176.83 177.01 1mbh h VAL 117 N -0.37 0.89 -0.26 2.23 2.07 -1.84 -0.39 116.25 118.58 1mbh h VAL 117 Ca -0.01 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1mbh h VAL 117 Cb 0.32 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1mbh h VAL 117 CO 0.02 0.03 0.15 0.40 0.02 0.00 0.00 177.57 178.19 1mbh h ILE 118 N -0.24 1.03 -0.76 4.57 2.04 -1.53 -2.67 117.51 119.95 1mbh h ILE 118 Ca -0.02 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1mbh h ILE 118 Cb 0.19 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1mbh h ILE 118 CO 0.03 0.06 0.47 0.00 0.00 0.00 0.00 178.15 178.71 1mbh h ALA 119 N 1.12 0.97 -0.69 1.87 0.00 -0.63 0.11 119.26 122.00 1mbh h ALA 119 Ca 0.10 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.10 1mbh h ALA 119 Cb 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1mbh h ALA 119 CO -0.05 0.42 0.48 0.87 0.00 0.00 0.00 179.25 180.96 1mbh h LYS 120 N 1.04 0.25 0.08 0.00 1.57 -0.72 -1.62 116.57 117.16 1mbh h LYS 120 Ca 0.27 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.72 1mbh h LYS 120 Cb -0.06 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1mbh h LYS 120 CO -0.05 0.16 -1.78 0.45 -0.57 0.00 0.00 179.45 177.66 1mbh h HIS 121 N 0.25 0.30 -1.75 -1.35 3.86 -1.18 -3.40 115.15 111.88 1mbh h HIS 121 Ca 0.34 -0.22 -0.73 0.00 -1.16 0.00 0.00 60.37 58.60 1mbh h HIS 121 Cb 0.96 -0.01 -0.15 0.00 1.06 0.00 0.00 27.41 29.27 1mbh h HIS 121 CO -0.00 1.40 1.68 1.28 0.86 0.00 0.00 177.93 183.16 1mbh n LEU 122 N -3.31 5.58 -4.67 2.43 4.77 -0.05 -4.98 117.00 116.77 1mbh n LEU 122 Ca -0.23 -4.43 -0.42 0.00 -0.03 0.00 0.00 56.01 50.90 1mbh n LEU 122 Cb 1.05 -1.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 1mbh n LEU 122 CO 0.45 0.83 1.52 -0.54 -1.33 0.00 0.00 177.39 178.32 1mbh s LYS 123 N 1.66 4.15 0.00 3.23 -0.14 -1.25 -1.25 119.74 126.14 1mbh s LYS 123 Ca 0.44 2.56 0.00 0.00 -1.36 0.00 0.00 55.97 57.60 1mbh s LYS 123 Cb 0.02 -3.91 0.00 0.00 -1.68 0.00 0.00 37.83 32.26 1mbh s LYS 123 CO 0.01 -0.89 0.00 0.41 -0.76 0.00 0.00 175.35 174.12 1mbh n GLY 124 N 4.37 2.26 3.00 -3.33 0.00 -1.26 -5.06 105.19 105.16 1mbh n GLY 124 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.30 2.01 0.79 1.61 1.81 -0.38 -5.00 118.95 119.49 1mbh s ARG 125 Ca 0.00 -1.01 -0.13 0.00 -1.72 0.00 0.00 55.73 52.87 1mbh s ARG 125 Cb 0.00 -2.59 0.18 0.00 -0.45 0.00 0.00 34.95 32.09 1mbh s ARG 125 CO 0.00 -0.50 1.04 0.44 -0.68 0.00 0.00 175.30 175.60 1mbh n ILE 126 N 4.61 0.00 -1.23 1.52 -5.35 -1.26 -4.54 119.36 113.12 1mbh n ILE 126 Ca -0.14 -0.74 -0.36 0.00 -0.27 0.00 0.00 62.75 61.23 1mbh n ILE 126 Cb 0.45 -1.58 -0.03 0.00 -1.74 0.00 0.00 39.64 36.75 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 -2.02 3.61 1.64 3.28 0.00 -1.26 -3.17 105.19 107.27 1mbh n GLY 127 Ca 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 5.17 0.00 -0.29 1.61 4.81 -1.26 -4.89 118.16 123.31 1mbh n LYS 128 Ca 0.56 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.98 1mbh n LYS 128 Cb 0.28 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.44 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 0.94 -0.72 1.64 7.50 -1.88 -0.22 115.11 122.36 1mbh h GLN 129 Ca 0.00 -0.06 -0.00 0.00 0.50 0.00 0.00 58.65 59.09 1mbh h GLN 129 Cb 0.00 -0.21 -0.04 0.00 0.05 0.00 0.00 27.48 27.28 1mbh h GLN 129 CO 0.00 0.62 0.44 0.00 -1.50 0.00 0.00 178.83 178.40 1mbh h ARG 131 N 0.99 -0.81 -0.39 0.00 1.12 -1.61 -1.75 114.38 111.92 1mbh h ARG 131 Ca 0.26 0.06 0.08 0.00 -1.11 0.00 0.00 59.98 59.26 1mbh h ARG 131 Cb -0.05 0.18 -0.07 0.00 -0.01 0.00 0.00 29.97 30.03 1mbh h ARG 131 CO -0.05 -0.52 -0.04 0.93 -3.11 0.00 0.00 179.97 177.19 1mbh h GLU 132 N -0.90 0.06 -0.99 0.20 3.07 -0.91 -0.08 114.58 115.02 1mbh h GLU 132 Ca -0.09 -0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.91 1mbh h GLU 132 Cb 0.67 -0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 28.47 1mbh h GLU 132 CO 0.14 0.04 0.62 -0.09 -1.40 0.00 0.00 179.01 178.32 1mbh h ARG 133 N 0.06 0.86 -0.56 2.33 9.65 -0.89 0.28 114.38 126.11 1mbh h ARG 133 Ca 0.19 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1mbh h ARG 133 Cb 0.28 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1mbh h ARG 133 CO -0.35 0.57 0.00 1.87 2.80 0.00 0.00 179.97 184.85 1mbh n TRP 134 N -4.65 0.83 -2.37 2.20 -0.00 -0.16 -2.90 117.44 110.39 1mbh n TRP 134 Ca 0.20 -0.34 0.02 0.00 -0.00 0.00 0.00 57.50 57.38 1mbh n TRP 134 Cb 0.44 -0.13 0.01 0.00 -0.00 0.00 0.00 31.31 31.62 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 0.62 0.00 0.04 5.87 8.25 0.04 -4.16 115.22 125.88 1mbh n HIS 135 Ca 0.15 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 1mbh n HIS 135 Cb 0.53 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 0.37 0.13 -0.06 0.41 3.02 -0.92 -4.96 115.26 113.24 1mbh n ASN 136 Ca 0.02 0.15 -0.09 0.00 -0.03 0.00 0.00 54.58 54.63 1mbh n ASN 136 Cb 1.03 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 40.22 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 -2.90 0.00 -2.25 3.10 -0.00 -1.25 -5.02 115.22 106.90 1mbh n HIS 137 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 1mbh n HIS 137 Cb 0.00 -0.43 -0.01 0.00 -0.00 0.00 0.00 29.99 29.55 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1mbh s LEU 138 N -7.66 3.46 0.00 2.41 1.02 -1.14 -4.92 118.68 111.85 1mbh s LEU 138 Ca -0.23 1.32 0.00 0.00 0.02 0.00 0.00 54.13 55.23 1mbh s LEU 138 Cb 0.04 -4.30 0.00 0.00 0.02 0.00 0.00 46.19 41.95 1mbh s LEU 138 CO 0.34 -0.70 0.00 -3.20 0.02 0.00 0.00 176.35 172.81 1mbh n ASN 139 N -2.24 0.00 -4.71 2.29 2.85 -1.26 -3.09 115.26 109.09 1mbh n ASN 139 Ca 0.05 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.10 1mbh n ASN 139 Cb 0.54 0.07 -0.03 0.00 1.24 0.00 0.00 39.78 41.61 1mbh n ASN 139 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1mbh s PRO 140 N -1.50 4.41 0.00 1.20 0.05 -1.26 -5.06 135.00 132.84 1mbh s PRO 140 Ca 0.00 1.80 0.08 0.00 0.05 0.00 0.00 61.00 62.93 1mbh s PRO 140 Cb 0.00 -3.35 0.45 0.00 0.05 0.00 0.00 34.50 31.66 1mbh s PRO 140 CO 0.00 -0.29 0.91 0.39 0.05 0.00 0.00 177.00 178.06