#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 -1.61 0.00 -0.08 2.08 -1.26 -5.04 119.36 113.45 1mbh n ILE 91 Ca 0.00 0.82 0.00 0.00 0.56 0.00 0.00 62.75 64.13 1mbh n ILE 91 Cb 0.00 -1.36 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 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 -2.17 2.52 -1.77 0.38 3.00 -1.26 -5.02 118.16 113.84 1mbh n LYS 92 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1mbh n LYS 92 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.31 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mbh n GLY 93 N 5.00 -2.74 2.42 3.14 0.00 -1.26 -4.83 105.19 106.92 1mbh n GLY 93 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 0.05 2.60 -1.37 1.61 -0.04 -1.26 -4.86 135.00 131.72 1mbh n PRO 94 Ca 0.00 -1.62 0.17 0.00 -0.04 0.00 0.00 63.50 62.01 1mbh n PRO 94 Cb 0.02 -2.49 -0.09 0.00 -0.04 0.00 0.00 33.50 30.90 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 3.72 -3.66 -4.02 0.54 7.02 -1.26 -5.04 117.44 114.73 1mbh n TRP 95 Ca 0.55 2.00 -0.08 0.00 -1.02 0.00 0.00 57.50 58.96 1mbh n TRP 95 Cb 0.26 -3.33 -0.10 0.00 -2.42 0.00 0.00 31.31 25.72 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 -3.99 0.18 0.50 -0.99 -4.23 -1.26 -5.04 115.64 100.80 1mbh s THR 96 Ca 0.00 -1.46 0.16 0.00 -1.18 0.00 0.00 61.69 59.21 1mbh s THR 96 Cb 0.00 -1.18 0.29 0.00 1.34 0.00 0.00 72.50 72.95 1mbh s THR 96 CO 0.00 -0.80 2.11 0.50 -0.54 0.00 0.00 174.62 175.88 1mbh h LYS 97 N 3.45 0.11 0.10 3.99 1.63 -1.98 0.20 116.57 124.07 1mbh h LYS 97 Ca -0.33 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.45 1mbh h LYS 97 Cb 1.17 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1mbh h LYS 97 CO 0.58 0.07 -0.05 1.49 -3.45 0.00 0.00 179.45 178.09 1mbh h GLU 98 N 0.11 -0.13 -0.22 1.90 4.22 -1.99 0.11 114.58 118.57 1mbh h GLU 98 Ca 0.07 0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.46 1mbh h GLU 98 Cb 0.14 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1mbh h GLU 98 CO -0.01 0.19 -0.12 0.93 -2.18 0.00 0.00 179.01 177.82 1mbh h GLU 99 N -0.46 0.36 -0.22 1.92 4.39 -1.79 -1.51 114.58 117.28 1mbh h GLU 99 Ca -0.01 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1mbh h GLU 99 Cb 0.38 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1mbh h GLU 99 CO 0.02 0.49 0.05 -0.44 -1.16 0.00 0.00 179.01 177.97 1mbh h ASP 100 N 0.34 0.33 -0.93 1.42 3.32 -0.48 -0.86 116.42 119.56 1mbh h ASP 100 Ca 0.07 -0.24 0.06 0.00 0.02 0.00 0.00 57.03 56.93 1mbh h ASP 100 Cb 0.42 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 1mbh h ASP 100 CO 0.02 0.49 0.61 -0.61 -1.72 0.00 0.00 179.24 178.03 1mbh h GLN 101 N 0.16 1.06 -0.13 3.56 5.75 -0.54 0.10 115.11 125.08 1mbh h GLN 101 Ca 0.07 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1mbh h GLN 101 Cb 0.29 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1mbh h GLN 101 CO 0.00 0.70 0.08 -0.09 -2.65 0.00 0.00 178.83 176.87 1mbh h ARG 102 N 1.09 0.18 -0.49 1.69 2.43 -0.89 -1.54 114.38 116.85 1mbh h ARG 102 Ca 0.39 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1mbh h ARG 102 Cb 0.15 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1mbh h ARG 102 CO -0.14 0.18 0.32 0.28 -1.51 0.00 0.00 179.97 179.10 1mbh h VAL 103 N 0.13 1.13 -0.29 0.20 2.07 -0.21 -0.90 116.25 118.38 1mbh h VAL 103 Ca 0.05 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1mbh h VAL 103 Cb 0.05 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 1mbh h VAL 103 CO -0.01 0.13 -0.10 0.40 0.02 0.00 0.00 177.57 178.01 1mbh h ILE 104 N 0.66 0.65 0.44 4.57 2.04 -0.58 0.14 117.51 125.42 1mbh h ILE 104 Ca 0.18 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 1mbh h ILE 104 Cb -0.06 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1mbh h ILE 104 CO -0.04 0.00 -0.21 -0.08 0.00 0.00 0.00 178.15 177.82 1mbh h GLU 105 N -0.04 -0.56 -0.58 2.37 4.81 -0.95 0.13 114.58 119.75 1mbh h GLU 105 Ca 0.14 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 1mbh h GLU 105 Cb 0.26 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 1mbh h GLU 105 CO -0.32 -0.36 0.26 -0.07 -0.73 0.00 0.00 179.01 177.79 1mbh h LEU 106 N -0.62 0.33 -0.59 1.64 3.38 -0.86 0.13 115.31 118.72 1mbh h LEU 106 Ca -0.06 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1mbh h LEU 106 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1mbh h LEU 106 CO 0.10 0.21 0.06 0.58 0.09 0.00 0.00 178.44 179.48 1mbh h VAL 107 N 0.48 1.26 0.00 1.22 2.07 -0.63 0.88 116.25 121.53 1mbh h VAL 107 Ca 0.28 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1mbh h VAL 107 Cb 0.26 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1mbh h VAL 107 CO -0.23 0.38 -0.21 -0.61 0.02 0.00 0.00 177.57 176.92 1mbh h GLN 108 N 0.91 0.00 0.00 1.57 4.15 -0.10 0.53 115.11 122.17 1mbh h GLN 108 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1mbh h GLN 108 Cb 0.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1mbh h GLN 108 CO 0.02 0.21 -0.11 -0.22 -1.93 0.00 0.00 178.83 176.80 1mbh h LYS 109 N 0.00 0.00 0.00 1.69 3.64 -0.16 -3.39 116.57 118.34 1mbh h LYS 109 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1mbh h LYS 109 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1mbh h LYS 109 CO 0.03 0.00 -0.48 1.88 -2.27 0.00 0.00 179.45 178.60 1mbh h TYR 110 N -0.68 0.00 0.00 1.91 0.05 -0.93 -3.51 116.97 113.81 1mbh h TYR 110 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1mbh h TYR 110 Cb 0.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.85 1mbh h TYR 110 CO -0.05 0.33 0.00 0.41 -1.05 0.00 0.00 178.16 177.81 1mbh n GLY 111 N 1.20 1.78 3.60 3.88 0.00 0.19 -5.03 105.19 110.80 1mbh n GLY 111 Ca 0.01 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.42 0.17 2.28 1.61 0.04 -1.24 -4.64 135.00 130.79 1mbh s PRO 112 Ca 0.00 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1mbh s PRO 112 Cb 0.00 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1mbh s PRO 112 CO 0.00 -3.07 0.00 1.63 0.04 0.00 0.00 177.00 175.60 1mbh n LYS 113 N -4.49 0.00 -3.80 4.56 4.76 -1.26 -4.92 118.16 113.00 1mbh n LYS 113 Ca 0.07 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.25 1mbh n LYS 113 Cb 0.54 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.76 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 -0.60 -5.38 0.30 1.97 1.74 -1.26 -4.85 116.66 108.58 1mbh n ARG 114 Ca 0.00 0.62 0.18 0.00 -0.77 0.00 0.00 57.85 57.88 1mbh n ARG 114 Cb 0.00 -5.37 0.90 0.00 -1.02 0.00 0.00 32.46 26.98 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 -2.02 0.00 -0.53 -1.55 4.06 -1.94 -1.81 115.95 112.16 1mbh h TRP 115 Ca -0.59 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 -0.03 0.00 -1.00 0.00 0.00 29.16 29.50 1mbh h TRP 115 CO 0.52 0.04 0.32 0.77 -3.56 0.00 0.00 178.44 176.52 1mbh h SER 116 N 0.00 0.63 0.00 -3.49 0.02 -1.95 0.12 113.55 108.89 1mbh h SER 116 Ca -0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1mbh h SER 116 Cb 0.25 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1mbh h SER 116 CO 0.01 0.49 -0.07 0.58 -1.14 0.00 0.00 176.83 176.70 1mbh h VAL 117 N 0.73 1.59 -0.73 2.27 2.07 -1.70 -3.19 116.25 117.29 1mbh h VAL 117 Ca 0.19 -2.22 0.05 0.00 0.82 0.00 0.00 66.70 65.55 1mbh h VAL 117 Cb -0.02 3.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.72 1mbh h VAL 117 CO -0.04 0.54 0.43 0.40 0.02 0.00 0.00 177.57 178.92 1mbh h ILE 118 N -1.00 1.01 -0.79 4.57 2.04 -1.42 -2.11 117.51 119.82 1mbh h ILE 118 Ca -0.02 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1mbh h ILE 118 Cb 0.92 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1mbh h ILE 118 CO -0.01 0.15 0.50 0.00 0.00 0.00 0.00 178.15 178.79 1mbh h ALA 119 N 1.35 1.04 0.00 1.87 0.00 -0.89 -1.12 119.26 121.51 1mbh h ALA 119 Ca 0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1mbh h ALA 119 Cb 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1mbh h ALA 119 CO -0.16 0.32 -0.00 0.87 0.00 0.00 0.00 179.25 180.27 1mbh h LYS 120 N 0.98 0.00 0.01 0.00 1.57 -1.36 -0.87 116.57 116.90 1mbh h LYS 120 Ca 0.32 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.82 1mbh h LYS 120 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1mbh h LYS 120 CO -0.11 0.00 -1.51 0.45 -0.57 0.00 0.00 179.45 177.71 1mbh h HIS 121 N 0.00 0.04 0.00 -1.35 3.86 -1.12 -3.29 115.15 113.28 1mbh h HIS 121 Ca -0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1mbh h HIS 121 Cb 0.02 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1mbh h HIS 121 CO 0.00 1.04 0.00 -0.07 0.86 0.00 0.00 177.93 179.76 1mbh h LEU 122 N 0.01 0.00 -3.48 2.43 3.38 -0.93 -3.48 115.31 113.24 1mbh h LEU 122 Ca -0.21 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.32 1mbh h LEU 122 Cb 1.95 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.72 1mbh h LEU 122 CO 0.10 0.00 -0.90 0.29 0.09 0.00 0.00 178.44 178.02 1mbh n LYS 123 N -2.66 -1.10 0.00 1.13 5.02 -0.55 -4.41 118.16 115.60 1mbh n LYS 123 Ca 0.05 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1mbh n LYS 123 Cb 0.48 -3.29 0.00 0.00 -0.02 0.00 0.00 35.03 32.19 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 -1.78 0.57 3.58 0.72 0.00 -1.26 -5.09 105.19 101.93 1mbh n GLY 124 Ca -0.16 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 3.50 1.14 1.61 0.52 -1.26 -4.93 118.95 119.53 1mbh s ARG 125 Ca 0.00 0.29 -0.18 0.00 -0.52 0.00 0.00 55.73 55.32 1mbh s ARG 125 Cb 0.00 -4.02 0.26 0.00 0.52 0.00 0.00 34.95 31.71 1mbh s ARG 125 CO 0.00 -1.70 1.15 0.96 0.02 0.00 0.00 175.30 175.73 1mbh s ILE 126 N 5.07 1.71 0.43 1.52 -4.36 -1.26 -4.52 121.20 119.79 1mbh s ILE 126 Ca 0.44 0.00 0.12 0.00 -0.26 0.00 0.00 60.65 60.95 1mbh s ILE 126 Cb -0.08 -2.59 0.30 0.00 1.25 0.00 0.00 42.46 41.35 1mbh s ILE 126 CO 0.26 0.00 2.02 1.23 0.24 0.00 0.00 174.94 178.68 1mbh h GLY 127 N -2.34 0.55 -1.75 6.27 0.00 -1.95 -1.60 103.07 102.25 1mbh h GLY 127 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1mbh h GLY 127 CO 0.37 0.14 0.00 1.17 0.00 0.00 0.00 176.54 178.22 1mbh n LYS 128 N -4.47 0.95 0.04 4.80 3.00 -1.26 -1.71 118.16 119.51 1mbh n LYS 128 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1mbh n LYS 128 Cb 0.25 -1.14 0.00 0.00 0.00 0.00 0.00 35.03 34.14 1mbh n LYS 128 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1mbh n GLN 129 N 0.40 0.00 -0.30 1.64 6.02 -0.64 -4.74 117.38 119.76 1mbh n GLN 129 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1mbh n GLN 129 Cb 0.42 -0.03 0.10 0.00 1.02 0.00 0.00 30.24 31.75 1mbh n GLN 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mbh h ARG 131 N 1.04 -1.01 -0.46 0.00 1.12 -1.59 -1.79 114.38 111.68 1mbh h ARG 131 Ca 0.33 0.07 0.09 0.00 -1.11 0.00 0.00 59.98 59.36 1mbh h ARG 131 Cb 0.01 0.23 -0.08 0.00 -0.01 0.00 0.00 29.97 30.12 1mbh h ARG 131 CO -0.11 -0.68 0.01 0.93 -3.11 0.00 0.00 179.97 177.01 1mbh h GLU 132 N -1.05 0.12 -0.91 0.20 3.07 -1.74 -0.05 114.58 114.22 1mbh h GLU 132 Ca -0.10 -0.01 0.14 0.00 -0.50 0.00 0.00 59.36 58.90 1mbh h GLU 132 Cb 0.83 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.64 1mbh h GLU 132 CO 0.13 0.08 0.58 -0.09 -1.40 0.00 0.00 179.01 178.31 1mbh h ARG 133 N 0.12 0.73 -0.64 2.33 9.65 -0.92 0.37 114.38 126.02 1mbh h ARG 133 Ca 0.23 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 1mbh h ARG 133 Cb 0.34 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1mbh h ARG 133 CO -0.38 0.48 0.00 1.87 2.80 0.00 0.00 179.97 184.74 1mbh n TRP 134 N -4.58 1.76 -2.40 2.20 -0.00 -0.14 -3.10 117.44 111.18 1mbh n TRP 134 Ca 0.18 -0.62 0.01 0.00 -0.00 0.00 0.00 57.50 57.07 1mbh n TRP 134 Cb 0.45 -0.43 0.00 0.00 -0.00 0.00 0.00 31.31 31.33 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 0.59 0.03 0.01 5.87 8.25 0.08 -4.25 115.22 125.81 1mbh n HIS 135 Ca 0.24 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 1mbh n HIS 135 Cb 1.04 0.08 0.00 0.00 1.12 0.00 0.00 29.99 32.23 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 0.20 -0.00 -0.08 0.41 3.02 -0.96 -4.93 115.26 112.92 1mbh n ASN 136 Ca -0.04 0.05 -0.08 0.00 -0.03 0.00 0.00 54.58 54.48 1mbh n ASN 136 Cb 0.99 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 40.17 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 -2.61 0.00 -2.10 3.10 1.44 -1.26 -5.00 115.22 108.79 1mbh n HIS 137 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1mbh n HIS 137 Cb 0.00 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 29.65 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mbh s LEU 138 N -7.84 3.36 0.00 2.39 1.02 -1.18 -4.91 118.68 111.52 1mbh s LEU 138 Ca -0.27 1.32 0.00 0.00 0.02 0.00 0.00 54.13 55.20 1mbh s LEU 138 Cb 0.04 -4.34 0.00 0.00 0.02 0.00 0.00 46.19 41.91 1mbh s LEU 138 CO 0.40 -0.77 0.00 -3.20 0.02 0.00 0.00 176.35 172.80 1mbh n ASN 139 N -2.51 0.00 -4.68 2.29 5.15 -1.26 -3.03 115.26 111.22 1mbh n ASN 139 Ca 0.05 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.61 1mbh n ASN 139 Cb 0.54 0.01 -0.03 0.00 -0.53 0.00 0.00 39.78 39.77 1mbh n ASN 139 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1mbh s PRO 140 N -1.39 4.26 0.00 1.20 0.05 -1.26 -5.06 135.00 132.80 1mbh s PRO 140 Ca 0.00 2.00 0.00 0.00 0.05 0.00 0.00 61.00 63.05 1mbh s PRO 140 Cb 0.00 -3.65 0.01 0.00 0.05 0.00 0.00 34.50 30.91 1mbh s PRO 140 CO 0.00 -0.64 0.51 0.39 0.05 0.00 0.00 177.00 177.31