#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 2.28 0.00 -0.08 -1.09 -1.26 -4.72 121.20 116.33 1mbh s ILE 91 Ca 0.00 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1mbh s ILE 91 Cb 0.00 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1mbh s ILE 91 CO 0.00 0.04 0.00 1.17 -1.23 0.00 0.00 174.94 174.92 1mbh n LYS 92 N 2.01 0.00 -2.35 2.79 4.81 -1.26 -4.54 118.16 119.62 1mbh n LYS 92 Ca 0.07 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.25 1mbh n LYS 92 Cb 0.39 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.49 1mbh n LYS 92 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mbh s GLY 93 N 0.00 1.68 -0.09 3.14 0.00 -1.26 -4.94 107.32 105.84 1mbh s GLY 93 Ca 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 1mbh s GLY 93 CO 0.00 -0.57 3.15 -1.55 0.00 0.00 0.00 173.10 174.13 1mbh n PRO 94 N -2.70 1.81 -1.34 2.90 -0.04 -1.26 -4.91 135.00 129.46 1mbh n PRO 94 Ca 0.07 -0.93 0.17 0.00 -0.04 0.00 0.00 63.50 62.77 1mbh n PRO 94 Cb 0.59 -1.98 -0.06 0.00 -0.04 0.00 0.00 33.50 32.01 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 2.65 -3.45 -4.22 0.54 7.02 -1.26 -5.02 117.44 113.69 1mbh n TRP 95 Ca 0.39 1.79 -0.13 0.00 -1.02 0.00 0.00 57.50 58.54 1mbh n TRP 95 Cb 0.75 -3.14 -0.10 0.00 -2.42 0.00 0.00 31.31 26.40 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 -2.97 0.34 0.17 -0.99 -4.23 -1.26 -5.04 115.64 101.66 1mbh s THR 96 Ca 0.00 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 58.41 1mbh s THR 96 Cb 0.00 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 71.60 1mbh s THR 96 CO 0.00 -0.25 1.76 0.50 -0.54 0.00 0.00 174.62 176.08 1mbh h LYS 97 N 2.65 0.82 -0.14 3.99 1.63 -1.98 -0.08 116.57 123.47 1mbh h LYS 97 Ca -0.36 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 1mbh h LYS 97 Cb 1.22 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 1mbh h LYS 97 CO 0.59 0.67 0.05 1.49 -3.45 0.00 0.00 179.45 178.80 1mbh h GLU 98 N 0.78 0.20 -0.69 1.90 4.81 -1.98 0.73 114.58 120.33 1mbh h GLU 98 Ca 0.20 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1mbh h GLU 98 Cb 0.11 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1mbh h GLU 98 CO -0.03 0.30 0.45 1.49 -0.73 0.00 0.00 179.01 180.50 1mbh h GLU 99 N 0.06 0.92 -0.44 1.92 4.81 -1.93 0.58 114.58 120.50 1mbh h GLU 99 Ca 0.05 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1mbh h GLU 99 Cb 0.18 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1mbh h GLU 99 CO -0.00 0.63 0.20 -0.44 -0.73 0.00 0.00 179.01 178.66 1mbh h ASP 100 N 0.94 0.59 -0.96 1.04 5.19 -0.82 -0.77 116.42 121.63 1mbh h ASP 100 Ca 0.25 -0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1mbh h ASP 100 Cb -0.08 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 39.22 1mbh h ASP 100 CO -0.05 0.57 0.63 -0.61 -3.12 0.00 0.00 179.24 176.66 1mbh h GLN 101 N 0.57 1.22 -0.54 3.56 5.75 -0.28 -0.17 115.11 125.23 1mbh h GLN 101 Ca 0.15 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1mbh h GLN 101 Cb 0.15 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 1mbh h GLN 101 CO -0.02 0.81 0.20 -0.09 -2.65 0.00 0.00 178.83 177.08 1mbh h ARG 102 N 1.26 0.82 -0.17 1.69 2.43 -0.45 -1.71 114.38 118.24 1mbh h ARG 102 Ca 0.37 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1mbh h ARG 102 Cb -0.08 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1mbh h ARG 102 CO -0.10 0.73 0.11 0.28 -1.51 0.00 0.00 179.97 179.48 1mbh h VAL 103 N 0.73 1.06 -0.49 0.20 2.07 -0.37 -0.60 116.25 118.87 1mbh h VAL 103 Ca 0.18 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.64 1mbh h VAL 103 Cb 0.23 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1mbh h VAL 103 CO -0.01 0.06 0.01 0.40 0.02 0.00 0.00 177.57 178.05 1mbh h ILE 104 N 0.21 0.63 0.56 4.57 2.04 -0.82 0.20 117.51 124.90 1mbh h ILE 104 Ca 0.06 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1mbh h ILE 104 Cb 0.01 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1mbh h ILE 104 CO -0.01 0.02 -0.27 -0.08 0.00 0.00 0.00 178.15 177.81 1mbh h GLU 105 N 0.12 -0.73 -0.68 2.37 4.81 -0.96 -0.16 114.58 119.37 1mbh h GLU 105 Ca 0.24 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.57 1mbh h GLU 105 Cb 0.36 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 1mbh h GLU 105 CO -0.40 -0.48 0.45 -0.07 -0.73 0.00 0.00 179.01 177.78 1mbh h LEU 106 N -0.77 0.66 -0.37 1.64 3.38 -0.69 0.38 115.31 119.54 1mbh h LEU 106 Ca -0.08 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1mbh h LEU 106 Cb 0.58 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1mbh h LEU 106 CO 0.13 0.44 -0.29 0.58 0.09 0.00 0.00 178.44 179.39 1mbh h VAL 107 N 0.76 1.28 -0.14 1.22 2.07 -0.41 0.91 116.25 121.94 1mbh h VAL 107 Ca 0.28 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 1mbh h VAL 107 Cb 0.16 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1mbh h VAL 107 CO -0.08 0.48 -0.18 -0.61 0.02 0.00 0.00 177.57 177.19 1mbh h GLN 108 N 0.64 0.23 0.00 1.57 4.15 0.05 0.41 115.11 122.17 1mbh h GLN 108 Ca 0.07 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 1mbh h GLN 108 Cb 0.86 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1mbh h GLN 108 CO 0.08 0.42 -0.15 -0.22 -1.93 0.00 0.00 178.83 177.03 1mbh h LYS 109 N 0.22 0.09 0.00 1.69 3.64 -0.70 -3.42 116.57 118.09 1mbh h LYS 109 Ca 0.04 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1mbh h LYS 109 Cb 0.46 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1mbh h LYS 109 CO 0.03 0.89 -0.15 0.66 -2.27 0.00 0.00 179.45 178.62 1mbh n TYR 110 N -4.58 0.10 -0.22 1.91 4.01 0.29 -5.09 117.16 113.57 1mbh n TYR 110 Ca -0.10 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1mbh n TYR 110 Cb 0.47 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 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 1.61 -0.68 0.86 2.72 0.00 0.14 -4.90 105.19 104.94 1mbh n GLY 111 Ca -0.02 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.36 0.68 -1.01 1.61 -0.04 -1.26 -4.57 135.00 129.04 1mbh n PRO 112 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mbh n PRO 112 Cb 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.52 0.00 -3.71 0.54 4.76 -1.26 -4.93 118.16 114.08 1mbh n LYS 113 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1mbh n LYS 113 Cb 0.29 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.54 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 -7.15 0.29 1.97 1.74 -1.26 -4.86 116.66 107.39 1mbh n ARG 114 Ca 0.00 0.75 0.16 0.00 -0.77 0.00 0.00 57.85 57.99 1mbh n ARG 114 Cb 0.00 -5.75 0.86 0.00 -1.02 0.00 0.00 32.46 26.54 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 -2.50 0.00 -0.41 -1.55 4.06 -1.91 -1.15 115.95 112.49 1mbh h TRP 115 Ca -0.57 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.29 1mbh h TRP 115 Cb 1.37 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.52 1mbh h TRP 115 CO 0.52 0.06 -0.10 0.77 -3.56 0.00 0.00 178.44 176.14 1mbh h SER 116 N 0.00 0.79 -0.21 -3.49 0.02 -1.91 0.76 113.55 109.52 1mbh h SER 116 Ca -0.00 -0.36 -0.06 0.00 -0.84 0.00 0.00 61.79 60.53 1mbh h SER 116 Cb 0.24 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1mbh h SER 116 CO 0.01 0.97 -0.11 0.58 -1.14 0.00 0.00 176.83 177.14 1mbh h VAL 117 N 0.60 1.31 -0.82 2.27 2.07 -1.63 -1.74 116.25 118.31 1mbh h VAL 117 Ca 0.10 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1mbh h VAL 117 Cb 0.62 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1mbh h VAL 117 CO 0.04 0.36 0.54 0.40 0.02 0.00 0.00 177.57 178.93 1mbh h ILE 118 N 0.14 1.19 -0.80 4.57 2.04 -1.21 -2.29 117.51 121.16 1mbh h ILE 118 Ca 0.05 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1mbh h ILE 118 Cb 0.61 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1mbh h ILE 118 CO 0.03 0.20 0.33 0.00 0.00 0.00 0.00 178.15 178.72 1mbh h ALA 119 N 1.31 1.03 -0.04 1.87 0.00 -0.72 -0.25 119.26 122.46 1mbh h ALA 119 Ca 0.31 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1mbh h ALA 119 Cb -0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 1mbh h ALA 119 CO -0.07 0.65 0.04 0.87 0.00 0.00 0.00 179.25 180.73 1mbh h LYS 120 N 1.15 0.00 0.02 0.00 1.57 -0.74 -2.26 116.57 116.32 1mbh h LYS 120 Ca 0.27 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.87 1mbh h LYS 120 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1mbh h LYS 120 CO -0.02 0.00 -0.93 0.45 -0.57 0.00 0.00 179.45 178.38 1mbh h HIS 121 N 0.00 0.09 -0.37 -1.35 3.86 -1.14 -3.37 115.15 112.87 1mbh h HIS 121 Ca 0.02 -0.06 -0.70 0.00 -1.16 0.00 0.00 60.37 58.46 1mbh h HIS 121 Cb 0.10 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 1mbh h HIS 121 CO 0.00 1.36 3.22 1.28 0.86 0.00 0.00 177.93 184.66 1mbh n LEU 122 N -4.38 7.98 -4.64 2.43 4.77 -0.18 -4.95 117.00 118.03 1mbh n LEU 122 Ca -0.24 -4.45 -0.50 0.00 -0.03 0.00 0.00 56.01 50.79 1mbh n LEU 122 Cb 0.67 -1.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.17 1mbh n LEU 122 CO 0.28 1.78 1.56 0.29 -1.33 0.00 0.00 177.39 179.97 1mbh n LYS 123 N 3.83 1.83 0.00 3.23 5.02 -1.15 -1.09 118.16 129.83 1mbh n LYS 123 Ca 0.65 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 57.58 1mbh n LYS 123 Cb 0.28 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 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 4.90 2.36 3.42 0.72 0.00 -1.26 -5.07 105.19 110.26 1mbh n GLY 124 Ca 0.27 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 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 3.14 0.94 1.61 1.81 -0.25 -5.05 118.95 121.16 1mbh s ARG 125 Ca 0.00 -0.86 -0.12 0.00 -1.72 0.00 0.00 55.73 53.03 1mbh s ARG 125 Cb 0.00 -3.67 0.16 0.00 -0.45 0.00 0.00 34.95 30.99 1mbh s ARG 125 CO 0.00 -0.54 1.10 0.96 -0.68 0.00 0.00 175.30 176.13 1mbh s ILE 126 N 1.60 2.35 0.29 1.52 -4.36 -1.26 -4.57 121.20 116.76 1mbh s ILE 126 Ca 0.04 0.11 0.03 0.00 -0.26 0.00 0.00 60.65 60.57 1mbh s ILE 126 Cb -0.18 -2.63 0.29 0.00 1.25 0.00 0.00 42.46 41.19 1mbh s ILE 126 CO 0.07 -0.15 1.81 1.23 0.24 0.00 0.00 174.94 178.14 1mbh h GLY 127 N -1.70 1.70 0.84 6.27 0.00 -1.92 -0.67 103.07 107.58 1mbh h GLY 127 Ca -0.52 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 46.45 1mbh h GLY 127 CO 0.57 0.05 0.40 1.70 0.00 0.00 0.00 176.54 179.26 1mbh h LYS 128 N 0.88 0.75 -0.11 4.80 3.64 -1.91 0.61 116.57 125.24 1mbh h LYS 128 Ca 0.53 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.84 1mbh h LYS 128 Cb 0.68 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1mbh h LYS 128 CO -0.32 0.50 -0.05 1.96 -2.27 0.00 0.00 179.45 179.27 1mbh h GLN 129 N 0.77 0.22 -0.51 1.90 1.08 -1.51 0.68 115.11 117.75 1mbh h GLN 129 Ca 0.27 -0.09 0.06 0.00 -1.45 0.00 0.00 58.65 57.43 1mbh h GLN 129 Cb 0.05 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.42 1mbh h GLN 129 CO -0.12 0.56 0.22 0.00 -0.95 0.00 0.00 178.83 178.55 1mbh h ARG 131 N 0.43 0.12 0.09 0.00 1.12 -0.82 -3.09 114.38 112.23 1mbh h ARG 131 Ca 0.23 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 59.10 1mbh h ARG 131 Cb 0.19 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.09 1mbh h ARG 131 CO -0.20 0.25 -0.50 1.49 -3.11 0.00 0.00 179.97 177.90 1mbh h GLU 132 N -0.04 -0.69 -0.91 0.20 4.81 -0.30 0.17 114.58 117.83 1mbh h GLU 132 Ca 0.03 0.05 0.26 0.00 -0.13 0.00 0.00 59.36 59.56 1mbh h GLU 132 Cb 0.18 0.16 -0.15 0.00 0.63 0.00 0.00 28.75 29.57 1mbh h GLU 132 CO -0.00 -0.46 0.30 -0.09 -0.73 0.00 0.00 179.01 178.03 1mbh h ARG 133 N -0.71 0.21 0.03 1.92 9.65 -1.16 -0.19 114.38 124.13 1mbh h ARG 133 Ca 0.01 -0.01 -0.23 0.00 -1.10 0.00 0.00 59.98 58.64 1mbh h ARG 133 Cb 0.74 -0.05 0.02 0.00 -1.39 0.00 0.00 29.97 29.29 1mbh h ARG 133 CO -0.29 0.14 -0.93 2.35 2.80 0.00 0.00 179.97 184.03 1mbh h TRP 134 N 0.22 0.88 -0.38 2.20 2.91 -1.28 -3.25 115.95 117.26 1mbh h TRP 134 Ca 0.59 -0.50 -0.21 0.00 1.13 0.00 0.00 58.89 59.90 1mbh h TRP 134 Cb 1.24 -0.09 -0.12 0.00 -0.51 0.00 0.00 29.16 29.68 1mbh h TRP 134 CO -0.22 1.34 0.27 0.72 -1.03 0.00 0.00 178.44 179.51 1mbh n HIS 135 N -3.97 1.18 0.00 2.65 8.25 0.53 -3.58 115.22 120.29 1mbh n HIS 135 Ca -0.11 -1.15 0.00 0.00 -0.26 0.00 0.00 57.72 56.20 1mbh n HIS 135 Cb 0.83 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.01 0.00 -0.05 0.41 3.02 -0.75 -4.95 115.26 112.94 1mbh n ASN 136 Ca 0.23 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.73 1mbh n ASN 136 Cb 0.88 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 40.04 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 -0.96 0.04 -2.22 3.10 -0.00 -1.23 -4.81 115.22 109.14 1mbh n HIS 137 Ca 0.00 0.02 -0.32 0.00 -0.00 0.00 0.00 57.72 57.42 1mbh n HIS 137 Cb 0.00 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.99 29.65 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 -6.60 3.28 -0.35 2.41 1.02 -1.23 -4.74 118.68 112.46 1mbh s LEU 138 Ca -0.15 -1.07 0.15 0.00 0.02 0.00 0.00 54.13 53.07 1mbh s LEU 138 Cb 0.02 -2.57 0.43 0.00 0.02 0.00 0.00 46.19 44.09 1mbh s LEU 138 CO 0.23 -2.36 0.93 -3.20 0.02 0.00 0.00 176.35 171.96 1mbh n ASN 139 N 12.34 1.83 -0.06 2.29 2.85 -1.23 -4.36 115.26 128.92 1mbh n ASN 139 Ca 0.39 -2.93 -0.11 0.00 -0.11 0.00 0.00 54.58 51.83 1mbh n ASN 139 Cb 0.48 -0.54 -0.04 0.00 1.24 0.00 0.00 39.78 40.92 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 2.95 0.30 0.00 1.20 0.13 -1.91 -3.52 132.00 131.15 1mbh h PRO 140 Ca -0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1mbh h PRO 140 Cb 1.08 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1mbh h PRO 140 CO 0.55 0.35 0.00 0.39 -0.23 0.00 0.00 178.00 179.06