#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 4.55 -0.37 -0.08 -1.09 -1.26 -4.50 121.20 118.45 1mbh s ILE 91 Ca 0.00 1.42 0.13 0.00 -2.23 0.00 0.00 60.65 59.97 1mbh s ILE 91 Cb 0.00 -3.98 0.39 0.00 -1.58 0.00 0.00 42.46 37.28 1mbh s ILE 91 CO 0.00 0.45 0.91 1.17 -1.23 0.00 0.00 174.94 176.23 1mbh n LYS 92 N 1.39 1.05 -0.48 2.79 4.81 -1.26 -5.09 118.16 121.38 1mbh n LYS 92 Ca -0.06 -3.02 0.06 0.00 -0.87 0.00 0.00 58.31 54.42 1mbh n LYS 92 Cb 0.50 -1.32 -0.02 0.00 0.02 0.00 0.00 35.03 34.21 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 0.10 -2.11 1.71 3.14 0.00 -1.26 -3.99 105.19 102.78 1mbh n GLY 93 Ca 0.15 -1.39 -0.03 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.05 1.14 -1.34 1.61 -0.04 -1.26 -4.92 135.00 128.14 1mbh n PRO 94 Ca 0.00 -0.26 0.17 0.00 -0.04 0.00 0.00 63.50 63.37 1mbh n PRO 94 Cb 0.22 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 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 1.86 -3.48 -4.20 0.54 7.02 -1.26 -5.03 117.44 112.90 1mbh n TRP 95 Ca 0.11 1.83 -0.12 0.00 -1.02 0.00 0.00 57.50 58.30 1mbh n TRP 95 Cb 0.55 -3.16 -0.10 0.00 -2.42 0.00 0.00 31.31 26.17 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 -3.18 0.40 0.25 -0.99 -4.23 -1.26 -5.02 115.64 101.60 1mbh s THR 96 Ca 0.00 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.51 1mbh s THR 96 Cb 0.00 -2.12 0.25 0.00 1.34 0.00 0.00 72.50 71.97 1mbh s THR 96 CO 0.00 -0.44 1.90 0.50 -0.54 0.00 0.00 174.62 176.05 1mbh h LYS 97 N 2.75 1.19 -0.09 3.99 3.64 -1.98 0.13 116.57 126.20 1mbh h LYS 97 Ca -0.36 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 1mbh h LYS 97 Cb 1.20 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1mbh h LYS 97 CO 0.61 0.79 -0.02 1.49 -2.27 0.00 0.00 179.45 180.05 1mbh h GLU 98 N 1.23 0.18 -0.69 1.90 4.81 -1.98 0.27 114.58 120.30 1mbh h GLU 98 Ca 0.39 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.57 1mbh h GLU 98 Cb -0.00 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1mbh h GLU 98 CO -0.12 0.48 0.45 1.49 -0.73 0.00 0.00 179.01 180.58 1mbh h GLU 99 N -0.14 0.87 -0.54 1.92 4.81 -1.86 -1.07 114.58 118.56 1mbh h GLU 99 Ca 0.02 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1mbh h GLU 99 Cb 0.41 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1mbh h GLU 99 CO 0.01 0.58 0.20 -0.44 -0.73 0.00 0.00 179.01 178.62 1mbh h ASP 100 N 0.90 0.77 -0.95 1.04 3.32 -0.69 -2.07 116.42 118.74 1mbh h ASP 100 Ca 0.26 -0.19 0.08 0.00 0.02 0.00 0.00 57.03 57.21 1mbh h ASP 100 Cb -0.05 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.22 1mbh h ASP 100 CO -0.08 0.75 0.60 -0.61 -1.72 0.00 0.00 179.24 178.18 1mbh h GLN 101 N 0.74 1.01 -0.24 3.56 5.75 -0.16 0.82 115.11 126.59 1mbh h GLN 101 Ca 0.18 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1mbh h GLN 101 Cb 0.24 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1mbh h GLN 101 CO -0.01 0.67 0.08 0.00 -2.65 0.00 0.00 178.83 176.92 1mbh h ARG 102 N 1.04 0.36 -0.88 1.69 2.47 -0.81 -0.08 114.38 118.18 1mbh h ARG 102 Ca 0.44 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 59.10 1mbh h ARG 102 Cb 0.29 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.50 1mbh h ARG 102 CO -0.21 0.43 0.58 -0.24 0.56 0.00 0.00 179.97 181.09 1mbh h VAL 103 N 0.23 1.18 0.00 2.04 3.04 -0.61 0.07 116.25 122.21 1mbh h VAL 103 Ca 0.08 -0.40 -0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1mbh h VAL 103 Cb 0.21 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.42 1mbh h VAL 103 CO -0.00 0.21 -0.00 0.40 -1.01 0.00 0.00 177.57 177.16 1mbh h ILE 104 N 1.15 1.10 -0.63 3.17 2.04 -0.61 0.27 117.51 124.00 1mbh h ILE 104 Ca 0.34 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1mbh h ILE 104 Cb -0.06 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1mbh h ILE 104 CO -0.09 0.08 0.36 -0.08 0.00 0.00 0.00 178.15 178.41 1mbh h GLU 105 N -0.13 0.67 -0.38 2.37 4.57 -0.57 0.19 114.58 121.28 1mbh h GLU 105 Ca -0.00 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1mbh h GLU 105 Cb 0.13 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1mbh h GLU 105 CO 0.00 0.44 0.00 -0.07 -1.18 0.00 0.00 179.01 178.21 1mbh h LEU 106 N 0.69 0.66 -1.39 1.64 3.38 -0.82 -2.10 115.31 117.36 1mbh h LEU 106 Ca 0.27 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1mbh h LEU 106 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1mbh h LEU 106 CO -0.15 0.80 -0.25 0.58 0.09 0.00 0.00 178.44 179.51 1mbh h VAL 107 N 0.49 1.20 0.00 1.22 2.07 -0.47 0.54 116.25 121.30 1mbh h VAL 107 Ca 0.11 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 1mbh h VAL 107 Cb 0.46 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1mbh h VAL 107 CO 0.02 0.28 -0.34 -0.61 0.02 0.00 0.00 177.57 176.94 1mbh h GLN 108 N 0.07 0.00 0.00 1.57 4.15 -0.27 0.22 115.11 120.85 1mbh h GLN 108 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1mbh h GLN 108 Cb 0.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1mbh h GLN 108 CO 0.03 0.34 -0.27 0.87 -1.93 0.00 0.00 178.83 177.88 1mbh h LYS 109 N 0.00 0.00 0.00 1.69 6.56 -0.61 -3.40 116.57 120.81 1mbh h LYS 109 Ca -0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1mbh h LYS 109 Cb 0.76 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.41 1mbh h LYS 109 CO 0.04 0.00 -0.38 1.88 -2.06 0.00 0.00 179.45 178.93 1mbh h TYR 110 N -0.73 0.00 0.00 -1.35 0.05 -1.06 -3.51 116.97 110.38 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 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1mbh h TYR 110 CO -0.11 0.16 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 1mbh n GLY 111 N 1.16 0.04 3.65 3.88 0.00 0.76 -4.99 105.19 109.70 1mbh n GLY 111 Ca 0.02 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.00 0.78 3.69 1.61 0.04 -1.26 -4.56 135.00 134.30 1mbh s PRO 112 Ca 0.00 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1mbh s PRO 112 Cb 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1mbh s PRO 112 CO 0.00 -2.71 0.00 1.63 0.04 0.00 0.00 177.00 175.96 1mbh n LYS 113 N -4.27 0.00 -3.82 4.56 4.76 -1.26 -4.91 118.16 113.22 1mbh n LYS 113 Ca 0.09 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.26 1mbh n LYS 113 Cb 0.53 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.75 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 0.00 -5.60 0.26 1.97 1.74 -1.26 -4.86 116.66 108.91 1mbh n ARG 114 Ca 0.00 0.63 0.13 0.00 -0.77 0.00 0.00 57.85 57.83 1mbh n ARG 114 Cb 0.00 -5.44 0.69 0.00 -1.02 0.00 0.00 32.46 26.69 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 -2.08 0.00 -0.01 -1.55 -0.00 -1.93 -1.63 115.95 108.74 1mbh h TRP 115 Ca -0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.25 1mbh h TRP 115 Cb 1.37 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.52 1mbh h TRP 115 CO 0.53 0.13 -0.22 0.77 -0.00 0.00 0.00 178.44 179.66 1mbh h SER 116 N 0.00 0.02 0.07 -3.49 0.02 -1.95 0.54 113.55 108.76 1mbh h SER 116 Ca -0.00 -0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.69 1mbh h SER 116 Cb 0.40 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1mbh h SER 116 CO 0.02 0.24 -1.32 0.58 -1.14 0.00 0.00 176.83 175.20 1mbh h VAL 117 N 0.02 1.01 -0.29 2.27 2.07 -1.70 -3.17 116.25 116.47 1mbh h VAL 117 Ca 0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1mbh h VAL 117 Cb 0.40 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1mbh h VAL 117 CO 0.03 0.61 0.19 0.40 0.02 0.00 0.00 177.57 178.82 1mbh h ILE 118 N -0.51 1.07 -0.26 4.57 2.04 -1.30 -2.00 117.51 121.12 1mbh h ILE 118 Ca -0.31 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 1mbh h ILE 118 Cb 1.60 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1mbh h ILE 118 CO -0.02 0.07 0.04 0.00 0.00 0.00 0.00 178.15 178.24 1mbh h ALA 119 N 1.11 1.59 0.00 1.87 0.00 -1.06 -0.42 119.26 122.35 1mbh h ALA 119 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1mbh h ALA 119 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1mbh h ALA 119 CO -0.02 0.31 0.02 -0.22 0.00 0.00 0.00 179.25 179.33 1mbh h LYS 120 N 0.37 0.00 0.00 0.00 3.11 -1.33 -2.94 116.57 115.77 1mbh h LYS 120 Ca 0.09 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.65 1mbh h LYS 120 Cb 0.18 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.37 1mbh h LYS 120 CO -0.00 0.00 -2.00 0.72 -2.81 0.00 0.00 179.45 175.36 1mbh n HIS 121 N -2.96 0.00 -1.71 1.91 8.25 -0.52 -4.65 115.22 115.54 1mbh n HIS 121 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 1mbh n HIS 121 Cb 0.08 -0.66 -0.01 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 -3.27 7.52 -4.62 2.41 7.94 -0.28 -4.96 117.00 121.75 1mbh n LEU 122 Ca -0.32 -4.35 -0.49 0.00 -1.11 0.00 0.00 56.01 49.74 1mbh n LEU 122 Cb 0.80 -1.58 -0.05 0.00 0.53 0.00 0.00 43.42 43.13 1mbh n LEU 122 CO 0.12 1.53 0.96 0.29 -1.11 0.00 0.00 177.39 179.18 1mbh n LYS 123 N 4.64 1.50 0.00 1.96 5.02 -1.23 -1.53 118.16 128.51 1mbh n LYS 123 Ca 0.59 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 57.42 1mbh n LYS 123 Cb 0.33 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 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 2.65 3.13 3.41 0.72 0.00 -1.26 -4.99 105.19 108.84 1mbh n GLY 124 Ca 0.17 -0.92 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 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 3.22 1.17 1.61 1.81 -0.59 -0.26 118.95 125.92 1mbh s ARG 125 Ca 0.00 -1.38 -0.17 0.00 -1.72 0.00 0.00 55.73 52.46 1mbh s ARG 125 Cb 0.00 -4.41 0.27 0.00 -0.45 0.00 0.00 34.95 30.36 1mbh s ARG 125 CO 0.00 -1.64 1.07 0.96 -0.68 0.00 0.00 175.30 175.01 1mbh s ILE 126 N 2.84 1.72 0.41 1.52 -4.36 -1.26 -4.53 121.20 117.55 1mbh s ILE 126 Ca 0.19 0.00 0.17 0.00 -0.26 0.00 0.00 60.65 60.75 1mbh s ILE 126 Cb -0.17 -2.39 0.37 0.00 1.25 0.00 0.00 42.46 41.53 1mbh s ILE 126 CO 0.03 0.00 1.86 1.23 0.24 0.00 0.00 174.94 178.29 1mbh h GLY 127 N -2.50 0.90 1.00 6.27 0.00 -1.94 -1.25 103.07 105.55 1mbh h GLY 127 Ca -0.50 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 1mbh h GLY 127 CO 0.43 0.00 -0.05 1.70 0.00 0.00 0.00 176.54 178.62 1mbh h LYS 128 N 0.43 -0.14 -0.22 4.80 1.63 -1.94 -0.01 116.57 121.12 1mbh h LYS 128 Ca 0.47 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.24 1mbh h LYS 128 Cb 1.13 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1mbh h LYS 128 CO -0.18 -0.09 -0.02 1.96 -3.45 0.00 0.00 179.45 177.66 1mbh h GLN 129 N -0.15 0.39 -0.17 1.90 1.08 -1.59 -0.20 115.11 116.38 1mbh h GLN 129 Ca -0.01 -0.14 0.04 0.00 -1.45 0.00 0.00 58.65 57.09 1mbh h GLN 129 Cb 0.11 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 1mbh h GLN 129 CO 0.02 0.61 -0.06 0.00 -0.95 0.00 0.00 178.83 178.45 1mbh h ARG 131 N -0.02 -0.65 -0.22 0.00 2.43 -0.95 -2.22 114.38 112.75 1mbh h ARG 131 Ca 0.09 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1mbh h ARG 131 Cb 0.15 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 1mbh h ARG 131 CO -0.19 -0.43 -0.48 1.49 -1.51 0.00 0.00 179.97 178.85 1mbh h GLU 132 N -0.69 -0.47 -0.93 0.20 4.22 -0.74 0.44 114.58 116.61 1mbh h GLU 132 Ca -0.07 0.03 0.14 0.00 0.08 0.00 0.00 59.36 59.55 1mbh h GLU 132 Cb 0.52 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 1mbh h GLU 132 CO 0.11 -0.31 0.59 -0.09 -2.18 0.00 0.00 179.01 177.14 1mbh h ARG 133 N -0.48 0.75 -0.61 1.92 9.65 -0.91 -0.46 114.38 124.23 1mbh h ARG 133 Ca 0.07 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1mbh h ARG 133 Cb 0.64 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1mbh h ARG 133 CO -0.47 0.49 0.00 1.87 2.80 0.00 0.00 179.97 184.66 1mbh n TRP 134 N -4.60 1.08 -2.30 2.20 -0.00 -0.16 -3.42 117.44 110.24 1mbh n TRP 134 Ca 0.18 -0.43 0.01 0.00 -0.00 0.00 0.00 57.50 57.27 1mbh n TRP 134 Cb 0.46 -0.19 -0.00 0.00 -0.00 0.00 0.00 31.31 31.57 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 0.74 0.00 0.08 5.87 8.25 -0.04 -4.47 115.22 125.66 1mbh n HIS 135 Ca 0.18 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1mbh n HIS 135 Cb 0.68 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.82 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 0.30 0.62 0.00 0.41 3.02 -0.93 -4.95 115.26 113.72 1mbh n ASN 136 Ca -0.03 0.27 -0.01 0.00 -0.03 0.00 0.00 54.58 54.77 1mbh n ASN 136 Cb 0.96 -0.05 -0.00 0.00 -0.61 0.00 0.00 39.78 40.07 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 -3.47 0.00 -2.44 3.10 1.44 -1.26 -4.99 115.22 107.61 1mbh n HIS 137 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 1mbh n HIS 137 Cb 0.00 -0.08 -0.02 0.00 0.12 0.00 0.00 29.99 30.01 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 -6.09 4.18 -0.38 2.39 1.02 -1.22 -4.87 118.68 113.71 1mbh s LEU 138 Ca -0.05 1.67 0.08 0.00 0.02 0.00 0.00 54.13 55.86 1mbh s LEU 138 Cb 0.01 -3.54 0.34 0.00 0.02 0.00 0.00 46.19 43.02 1mbh s LEU 138 CO 0.07 -0.75 1.32 -3.20 0.02 0.00 0.00 176.35 173.81 1mbh n ASN 139 N 6.56 -1.76 -0.30 2.29 2.85 -1.26 -3.60 115.26 120.04 1mbh n ASN 139 Ca 0.14 -2.32 -0.03 0.00 -0.11 0.00 0.00 54.58 52.26 1mbh n ASN 139 Cb 0.45 0.99 0.09 0.00 1.24 0.00 0.00 39.78 42.55 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 1.81 1.04 -0.01 1.20 0.13 -1.93 -3.52 132.00 130.72 1mbh h PRO 140 Ca -0.33 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1mbh h PRO 140 Cb 1.29 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1mbh h PRO 140 CO -0.10 0.69 0.00 0.39 -0.23 0.00 0.00 178.00 178.75