#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 -8.77 -3.37 -0.08 2.08 -1.26 -5.02 119.36 102.94 1mbh n ILE 91 Ca 0.00 0.11 -0.17 0.00 0.56 0.00 0.00 62.75 63.25 1mbh n ILE 91 Cb 0.00 -6.09 -0.08 0.00 -0.75 0.00 0.00 39.64 32.72 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 -3.18 0.50 0.52 0.38 2.20 -1.26 -4.90 119.74 114.00 1mbh s LYS 92 Ca 0.09 -0.53 0.05 0.00 -0.36 0.00 0.00 55.97 55.22 1mbh s LYS 92 Cb -0.02 -0.69 0.04 0.00 -1.51 0.00 0.00 37.83 35.66 1mbh s LYS 92 CO 0.79 -1.12 0.72 0.20 -0.36 0.00 0.00 175.35 175.58 1mbh s GLY 93 N 1.85 1.85 -0.47 5.54 0.00 -1.26 -5.00 107.32 109.84 1mbh s GLY 93 Ca 0.14 -1.65 -0.27 0.00 0.00 0.00 0.00 44.72 42.94 1mbh s GLY 93 CO -0.16 -1.34 2.11 2.56 0.00 0.00 0.00 173.10 176.26 1mbh s PRO 94 N -4.63 2.60 0.08 2.90 0.04 -1.26 -4.90 135.00 129.84 1mbh s PRO 94 Ca 0.58 1.24 -0.33 0.00 0.04 0.00 0.00 61.00 62.54 1mbh s PRO 94 Cb -0.09 -4.43 -0.12 0.00 0.04 0.00 0.00 34.50 29.90 1mbh s PRO 94 CO 0.37 -2.72 1.75 0.91 0.04 0.00 0.00 177.00 177.35 1mbh n TRP 95 N 13.44 2.42 -2.78 0.56 7.02 -1.26 -4.96 117.44 131.88 1mbh n TRP 95 Ca 0.28 0.05 -0.30 0.00 -1.02 0.00 0.00 57.50 56.52 1mbh n TRP 95 Cb 0.51 -2.64 -0.02 0.00 -2.42 0.00 0.00 31.31 26.74 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 2.34 4.81 0.30 -0.99 -4.23 -1.26 -4.92 115.64 111.68 1mbh s THR 96 Ca 0.83 0.55 0.01 0.00 -1.18 0.00 0.00 61.69 61.90 1mbh s THR 96 Cb -0.61 -3.76 0.28 0.00 1.34 0.00 0.00 72.50 69.74 1mbh s THR 96 CO 0.41 -0.61 1.91 0.50 -0.54 0.00 0.00 174.62 176.30 1mbh h LYS 97 N 1.00 1.00 0.00 3.99 1.63 -1.99 -0.63 116.57 121.59 1mbh h LYS 97 Ca -0.47 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.27 1mbh h LYS 97 Cb 1.19 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1mbh h LYS 97 CO 0.63 0.66 -0.00 1.49 -3.45 0.00 0.00 179.45 178.79 1mbh h GLU 98 N 1.04 -0.00 -0.52 1.90 4.22 -1.98 0.31 114.58 119.54 1mbh h GLU 98 Ca 0.39 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.93 1mbh h GLU 98 Cb 0.19 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 1mbh h GLU 98 CO -0.15 0.24 0.05 0.93 -2.18 0.00 0.00 179.01 177.91 1mbh h GLU 99 N -0.25 0.17 -0.15 1.92 5.08 -1.76 0.25 114.58 119.84 1mbh h GLU 99 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1mbh h GLU 99 Cb 0.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1mbh h GLU 99 CO 0.00 0.11 0.09 -0.44 -1.00 0.00 0.00 179.01 177.77 1mbh h ASP 100 N 0.18 0.19 -0.78 1.42 3.32 -1.01 -2.23 116.42 117.51 1mbh h ASP 100 Ca 0.26 -0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.34 1mbh h ASP 100 Cb 0.38 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 1mbh h ASP 100 CO -0.39 0.19 0.51 -0.61 -1.72 0.00 0.00 179.24 177.22 1mbh h GLN 101 N 0.17 0.73 0.15 3.56 5.75 0.28 -0.26 115.11 125.49 1mbh h GLN 101 Ca 0.05 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1mbh h GLN 101 Cb 0.04 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.43 1mbh h GLN 101 CO -0.01 0.48 -0.07 -0.09 -2.65 0.00 0.00 178.83 176.49 1mbh h ARG 102 N 0.75 -0.20 -0.27 1.69 2.43 0.01 -0.52 114.38 118.28 1mbh h ARG 102 Ca 0.35 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1mbh h ARG 102 Cb 0.37 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1mbh h ARG 102 CO -0.13 -0.11 0.17 0.28 -1.51 0.00 0.00 179.97 178.67 1mbh h VAL 103 N -0.24 1.09 -0.21 0.20 2.07 -0.77 0.16 116.25 118.54 1mbh h VAL 103 Ca -0.02 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1mbh h VAL 103 Cb 0.18 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1mbh h VAL 103 CO 0.03 0.08 -0.23 0.40 0.02 0.00 0.00 177.57 177.88 1mbh h ILE 104 N 0.35 0.43 -0.43 4.57 2.04 -0.89 0.82 117.51 124.39 1mbh h ILE 104 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 1mbh h ILE 104 Cb -0.01 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1mbh h ILE 104 CO -0.02 0.00 0.13 -0.08 0.00 0.00 0.00 178.15 178.19 1mbh h GLU 105 N -0.24 0.67 -0.73 2.37 4.57 -0.87 -0.92 114.58 119.42 1mbh h GLU 105 Ca 0.13 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1mbh h GLU 105 Cb 0.44 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 1mbh h GLU 105 CO -0.36 0.65 0.32 -0.07 -1.18 0.00 0.00 179.01 178.37 1mbh h LEU 106 N 0.56 0.97 -0.41 1.64 3.38 -0.47 0.27 115.31 121.25 1mbh h LEU 106 Ca 0.14 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 1mbh h LEU 106 Cb 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1mbh h LEU 106 CO -0.00 0.85 -0.47 0.58 0.09 0.00 0.00 178.44 179.48 1mbh h VAL 107 N 1.05 1.28 -0.38 1.22 2.07 -0.69 0.31 116.25 121.11 1mbh h VAL 107 Ca 0.25 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.06 1mbh h VAL 107 Cb 0.16 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1mbh h VAL 107 CO -0.03 0.54 -0.00 -0.61 0.02 0.00 0.00 177.57 177.49 1mbh h GLN 108 N 0.65 0.59 0.36 1.57 4.15 -0.61 0.12 115.11 121.95 1mbh h GLN 108 Ca 0.03 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1mbh h GLN 108 Cb 1.05 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1mbh h GLN 108 CO 0.10 0.62 -0.17 -0.22 -1.93 0.00 0.00 178.83 177.23 1mbh h LYS 109 N 0.57 -0.47 0.00 1.69 3.64 -0.17 -3.42 116.57 118.40 1mbh h LYS 109 Ca 0.12 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1mbh h LYS 109 Cb 0.36 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1mbh h LYS 109 CO 0.01 -0.20 0.00 0.66 -2.27 0.00 0.00 179.45 177.65 1mbh n TYR 110 N -5.11 0.00 -0.54 1.91 4.01 0.07 -5.09 117.16 112.41 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 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 1.87 -1.21 3.49 2.72 0.00 0.42 -5.02 105.19 107.46 1mbh n GLY 111 Ca 0.00 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 1mbh n GLY 111 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mbh n PRO 112 N -1.08 -1.56 0.00 1.61 -0.02 -1.26 -4.62 135.00 128.06 1mbh n PRO 112 Ca 0.00 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 1mbh n PRO 112 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1mbh n PRO 112 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1mbh n LYS 113 N -4.01 0.00 -3.92 -0.52 5.02 -1.26 -4.89 118.16 108.57 1mbh n LYS 113 Ca 0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.05 1mbh n LYS 113 Cb 0.55 0.00 0.02 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 2.09 -5.19 0.20 1.97 1.74 -1.26 -4.83 116.66 111.38 1mbh n ARG 114 Ca 0.00 0.57 0.15 0.00 -0.77 0.00 0.00 57.85 57.80 1mbh n ARG 114 Cb 0.00 -5.39 0.63 0.00 -1.02 0.00 0.00 32.46 26.68 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 -0.14 -1.55 4.06 -1.92 -2.29 115.95 112.10 1mbh h TRP 115 Ca -0.59 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.33 1mbh h TRP 115 Cb 1.38 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.53 1mbh h TRP 115 CO 0.56 0.00 -0.06 0.66 -3.56 0.00 0.00 178.44 176.04 1mbh h SER 116 N 0.00 0.30 -0.11 -3.49 4.64 -1.94 0.14 113.55 113.09 1mbh h SER 116 Ca 0.00 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1mbh h SER 116 Cb 0.35 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1mbh h SER 116 CO 0.00 0.64 0.03 0.58 -0.87 0.00 0.00 176.83 177.21 1mbh h VAL 117 N -0.04 1.18 -0.60 0.95 2.07 -1.81 -0.71 116.25 117.29 1mbh h VAL 117 Ca 0.03 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1mbh h VAL 117 Cb 0.52 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1mbh h VAL 117 CO 0.02 0.16 0.38 0.40 0.02 0.00 0.00 177.57 178.55 1mbh h ILE 118 N -0.01 1.17 -0.79 4.57 2.04 -1.44 -2.49 117.51 120.56 1mbh h ILE 118 Ca 0.04 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1mbh h ILE 118 Cb 0.22 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1mbh h ILE 118 CO -0.00 0.17 0.35 0.00 0.00 0.00 0.00 178.15 178.67 1mbh h ALA 119 N 1.20 1.02 -0.14 1.87 0.00 -0.59 -0.31 119.26 122.32 1mbh h ALA 119 Ca 0.22 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1mbh h ALA 119 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1mbh h ALA 119 CO -0.04 0.61 0.13 0.87 0.00 0.00 0.00 179.25 180.82 1mbh h LYS 120 N 1.13 0.00 0.06 0.00 1.57 -0.67 -2.10 116.57 116.56 1mbh h LYS 120 Ca 0.27 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.83 1mbh h LYS 120 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1mbh h LYS 120 CO -0.03 0.00 -1.16 0.45 -0.57 0.00 0.00 179.45 178.14 1mbh h HIS 121 N 0.00 0.21 -0.48 -1.35 3.86 -1.13 -3.37 115.15 112.90 1mbh h HIS 121 Ca 0.06 -0.16 -0.71 0.00 -1.16 0.00 0.00 60.37 58.40 1mbh h HIS 121 Cb 0.33 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.73 1mbh h HIS 121 CO 0.00 1.45 3.02 1.28 0.86 0.00 0.00 177.93 184.54 1mbh n LEU 122 N -4.19 7.64 -4.61 2.43 4.32 -0.20 -4.95 117.00 117.43 1mbh n LEU 122 Ca -0.25 -4.45 -0.51 0.00 -0.02 0.00 0.00 56.01 50.78 1mbh n LEU 122 Cb 0.76 -1.54 -0.06 0.00 -1.62 0.00 0.00 43.42 40.96 1mbh n LEU 122 CO 0.32 1.64 1.57 0.29 -1.22 0.00 0.00 177.39 179.99 1mbh n LYS 123 N 4.09 1.64 0.00 3.23 5.02 -1.14 -1.01 118.16 129.98 1mbh n LYS 123 Ca 0.60 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 57.45 1mbh n LYS 123 Cb 0.31 -2.52 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 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 5.08 3.41 3.61 0.72 0.00 -1.26 -5.07 105.19 111.68 1mbh n GLY 124 Ca 0.29 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 3.95 0.94 1.61 1.81 -0.18 -5.06 118.95 122.02 1mbh s ARG 125 Ca 0.00 0.40 -0.12 0.00 -1.72 0.00 0.00 55.73 54.29 1mbh s ARG 125 Cb 0.00 -3.71 0.15 0.00 -0.45 0.00 0.00 34.95 30.94 1mbh s ARG 125 CO 0.00 -0.56 1.13 0.96 -0.68 0.00 0.00 175.30 176.14 1mbh s ILE 126 N 2.66 2.02 0.23 1.52 -0.00 -1.26 -4.61 121.20 121.75 1mbh s ILE 126 Ca 0.27 0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.86 1mbh s ILE 126 Cb -0.15 -2.69 0.18 0.00 -0.00 0.00 0.00 42.46 39.81 1mbh s ILE 126 CO 0.11 -0.01 1.77 1.23 -0.00 0.00 0.00 174.94 178.05 1mbh h GLY 127 N -1.61 1.09 0.63 6.27 0.00 -1.96 -1.69 103.07 105.81 1mbh h GLY 127 Ca -0.52 -0.21 0.07 0.00 0.00 0.00 0.00 47.33 46.67 1mbh h GLY 127 CO 0.61 0.03 0.37 1.70 0.00 0.00 0.00 176.54 179.25 1mbh h LYS 128 N 0.58 0.65 0.76 4.80 3.64 -1.93 0.69 116.57 125.76 1mbh h LYS 128 Ca 0.36 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1mbh h LYS 128 Cb 0.42 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1mbh h LYS 128 CO -0.29 0.43 -0.41 1.96 -2.27 0.00 0.00 179.45 178.86 1mbh h GLN 129 N 0.67 -1.05 -0.76 1.90 1.08 -1.66 -0.23 115.11 115.05 1mbh h GLN 129 Ca 0.31 0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.63 1mbh h GLN 129 Cb 0.23 0.24 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 1mbh h GLN 129 CO -0.20 -0.70 0.47 0.00 -0.95 0.00 0.00 178.83 177.45 1mbh h ARG 131 N 0.90 -0.45 0.28 0.00 1.12 -0.68 -2.69 114.38 112.85 1mbh h ARG 131 Ca 0.32 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.22 1mbh h ARG 131 Cb 0.08 0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.13 1mbh h ARG 131 CO -0.14 -0.30 -0.26 0.93 -3.11 0.00 0.00 179.97 177.09 1mbh h GLU 132 N -0.47 -0.55 -1.11 0.20 5.08 -0.69 0.18 114.58 117.22 1mbh h GLU 132 Ca -0.01 0.04 0.33 0.00 -1.00 0.00 0.00 59.36 58.72 1mbh h GLU 132 Cb 0.43 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 29.68 1mbh h GLU 132 CO -0.04 -0.36 0.70 -0.09 -1.00 0.00 0.00 179.01 178.21 1mbh h ARG 133 N -0.57 0.28 0.00 2.33 9.65 -1.20 -1.75 114.38 123.12 1mbh h ARG 133 Ca -0.01 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.79 1mbh h ARG 133 Cb 0.52 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1mbh h ARG 133 CO -0.05 0.19 -0.36 2.35 2.80 0.00 0.00 179.97 184.90 1mbh h TRP 134 N 0.29 0.00 -0.03 2.20 2.91 -1.06 -3.23 115.95 117.03 1mbh h TRP 134 Ca 0.70 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.68 1mbh h TRP 134 Cb 1.86 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 30.50 1mbh h TRP 134 CO -0.01 0.96 -0.02 0.72 -1.03 0.00 0.00 178.44 179.07 1mbh n HIS 135 N -4.58 0.09 0.07 2.65 8.25 0.57 -3.81 115.22 118.47 1mbh n HIS 135 Ca -0.15 -1.11 0.00 0.00 -0.26 0.00 0.00 57.72 56.20 1mbh n HIS 135 Cb 0.47 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 1.55 -0.69 0.00 0.41 3.02 -0.99 -4.91 115.26 113.65 1mbh n ASN 136 Ca 0.06 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1mbh n ASN 136 Cb 0.55 0.81 0.00 0.00 -0.61 0.00 0.00 39.78 40.53 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 -2.89 0.00 -1.64 3.10 8.25 -1.22 -5.01 115.22 115.81 1mbh n HIS 137 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1mbh n HIS 137 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 2.72 -2.73 2.41 -0.00 -1.26 -4.94 117.00 113.20 1mbh n LEU 138 Ca 0.00 1.17 -0.07 0.00 -0.00 0.00 0.00 56.01 57.11 1mbh n LEU 138 Cb 0.00 -1.39 0.06 0.00 -0.00 0.00 0.00 43.42 42.09 1mbh n LEU 138 CO 0.00 -0.99 0.32 -3.20 -0.00 0.00 0.00 177.39 173.52 1mbh n ASN 139 N 0.91 -2.44 -1.92 1.45 2.85 -1.26 -4.62 115.26 110.23 1mbh n ASN 139 Ca 0.07 -2.93 -0.09 0.00 -0.11 0.00 0.00 54.58 51.52 1mbh n ASN 139 Cb 0.35 1.56 -0.13 0.00 1.24 0.00 0.00 39.78 42.80 1mbh n ASN 139 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1mbh n PRO 140 N 1.50 1.70 0.00 1.20 -0.04 -1.26 -5.17 135.00 132.93 1mbh n PRO 140 Ca 0.07 -0.75 0.16 0.00 -0.04 0.00 0.00 63.50 62.93 1mbh n PRO 140 Cb 0.66 -1.78 0.92 0.00 -0.04 0.00 0.00 33.50 33.26 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85