#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 -8.44 -2.00 -0.08 2.08 -1.26 -1.63 119.36 108.04 1mbh n ILE 91 Ca 0.00 -0.98 -0.14 0.00 0.56 0.00 0.00 62.75 62.19 1mbh n ILE 91 Cb 0.00 -5.99 -0.03 0.00 -0.75 0.00 0.00 39.64 32.87 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 -3.11 -1.78 0.00 0.38 4.81 -1.26 -4.60 118.16 112.60 1mbh n LYS 92 Ca -0.07 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1mbh n LYS 92 Cb 0.59 -5.20 0.00 0.00 0.02 0.00 0.00 35.03 30.44 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 -0.60 -1.64 0.18 3.14 0.00 -0.64 -4.55 105.19 101.08 1mbh n GLY 93 Ca -0.15 -1.36 -0.07 0.00 0.00 0.00 0.00 46.02 44.43 1mbh n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mbh h PRO 94 N 0.00 -0.44 -2.97 1.61 0.13 -1.81 -3.48 132.00 125.04 1mbh h PRO 94 Ca 0.00 0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.11 1mbh h PRO 94 Cb 0.00 0.10 -0.14 0.00 0.13 0.00 0.00 31.00 31.09 1mbh h PRO 94 CO 0.00 -0.29 0.06 -1.58 -0.23 0.00 0.00 178.00 175.95 1mbh s TRP 95 N -3.78 -0.40 0.04 1.56 0.52 -1.26 -5.07 118.94 110.54 1mbh s TRP 95 Ca -0.07 0.30 -0.04 0.00 0.02 0.00 0.00 56.10 56.32 1mbh s TRP 95 Cb 0.01 0.38 -0.02 0.00 -1.15 0.00 0.00 33.47 32.69 1mbh s TRP 95 CO 0.20 -0.71 0.06 0.95 0.02 0.00 0.00 176.95 177.47 1mbh s THR 96 N -3.09 0.15 0.41 2.01 -4.23 -1.26 -5.04 115.64 104.59 1mbh s THR 96 Ca -0.02 -1.24 0.12 0.00 -1.18 0.00 0.00 61.69 59.38 1mbh s THR 96 Cb -0.00 -0.98 0.33 0.00 1.34 0.00 0.00 72.50 73.19 1mbh s THR 96 CO -0.07 -0.68 1.94 0.50 -0.54 0.00 0.00 174.62 175.77 1mbh h LYS 97 N 3.63 0.50 0.15 3.99 3.64 -2.01 0.35 116.57 126.82 1mbh h LYS 97 Ca -0.33 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 1mbh h LYS 97 Cb 1.18 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1mbh h LYS 97 CO 0.53 0.33 -0.08 1.49 -2.27 0.00 0.00 179.45 179.45 1mbh h GLU 98 N 0.52 -0.21 -0.40 1.90 4.81 -2.00 -0.19 114.58 119.01 1mbh h GLU 98 Ca 0.33 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1mbh h GLU 98 Cb 0.59 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1mbh h GLU 98 CO -0.11 -0.14 0.09 0.93 -0.73 0.00 0.00 179.01 179.05 1mbh h GLU 99 N -0.22 0.65 -0.76 1.92 3.07 -1.69 -2.67 114.58 114.87 1mbh h GLU 99 Ca -0.02 -0.16 0.07 0.00 -0.50 0.00 0.00 59.36 58.75 1mbh h GLU 99 Cb 0.18 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 1mbh h GLU 99 CO 0.02 0.67 0.50 -0.44 -1.40 0.00 0.00 179.01 178.37 1mbh h ASP 100 N 0.51 0.70 -0.59 1.42 3.32 -0.78 -0.69 116.42 120.31 1mbh h ASP 100 Ca 0.13 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.24 1mbh h ASP 100 Cb 0.32 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 1mbh h ASP 100 CO 0.00 0.44 0.31 -0.61 -1.72 0.00 0.00 179.24 177.67 1mbh h GLN 101 N 0.79 0.57 0.07 3.56 -0.00 -0.67 0.11 115.11 119.54 1mbh h GLN 101 Ca 0.33 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.96 1mbh h GLN 101 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.62 1mbh h GLN 101 CO -0.12 0.38 -0.10 0.00 0.00 0.00 0.00 178.83 179.00 1mbh h ARG 102 N 0.59 -0.19 -0.11 1.69 3.08 -1.07 -1.41 114.38 116.95 1mbh h ARG 102 Ca 0.27 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.35 1mbh h ARG 102 Cb 0.17 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1mbh h ARG 102 CO -0.18 -0.13 -0.02 0.28 -1.07 0.00 0.00 179.97 178.85 1mbh h VAL 103 N -0.20 0.90 -0.30 2.04 2.07 -0.94 0.47 116.25 120.28 1mbh h VAL 103 Ca 0.01 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1mbh h VAL 103 Cb 0.21 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1mbh h VAL 103 CO -0.04 0.00 -0.26 0.40 0.02 0.00 0.00 177.57 177.69 1mbh h ILE 104 N 0.01 0.35 0.23 4.57 2.04 -0.57 0.15 117.51 124.29 1mbh h ILE 104 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1mbh h ILE 104 Cb 0.08 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1mbh h ILE 104 CO -0.11 0.00 -0.11 -0.08 0.00 0.00 0.00 178.15 177.85 1mbh h GLU 105 N -0.24 -0.29 -0.38 2.37 4.81 -0.97 -2.23 114.58 117.65 1mbh h GLU 105 Ca 0.15 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1mbh h GLU 105 Cb 0.48 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1mbh h GLU 105 CO -0.44 -0.13 0.25 -0.07 -0.73 0.00 0.00 179.01 177.89 1mbh h LEU 106 N -0.39 0.41 -0.16 1.64 3.38 -0.47 0.11 115.31 119.82 1mbh h LEU 106 Ca -0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1mbh h LEU 106 Cb 0.30 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1mbh h LEU 106 CO 0.05 0.29 -0.26 0.58 0.09 0.00 0.00 178.44 179.19 1mbh h VAL 107 N 0.48 1.35 -0.10 1.22 2.07 -0.57 0.64 116.25 121.34 1mbh h VAL 107 Ca 0.14 -1.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 1mbh h VAL 107 Cb -0.01 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1mbh h VAL 107 CO -0.03 0.45 -0.10 -0.61 0.02 0.00 0.00 177.57 177.30 1mbh h GLN 108 N 0.10 0.15 0.07 1.57 4.15 -0.76 0.26 115.11 120.65 1mbh h GLN 108 Ca 0.01 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1mbh h GLN 108 Cb 0.84 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.51 1mbh h GLN 108 CO 0.06 0.26 -0.04 -0.22 -1.93 0.00 0.00 178.83 176.96 1mbh h LYS 109 N 0.14 -0.10 0.00 1.69 3.64 -0.58 -3.43 116.57 117.94 1mbh h LYS 109 Ca 0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1mbh h LYS 109 Cb 0.27 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1mbh h LYS 109 CO 0.02 0.46 0.00 0.66 -2.27 0.00 0.00 179.45 178.31 1mbh n TYR 110 N -4.84 0.00 0.00 1.91 4.01 0.20 -5.08 117.16 113.36 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 0.30 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 1.85 -0.76 1.08 2.72 0.00 0.90 -4.95 105.19 106.03 1mbh n GLY 111 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.96 0.69 -1.24 1.61 -0.04 -1.26 -4.57 135.00 129.23 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 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.79 0.00 -3.69 0.54 5.02 -1.26 -4.95 118.16 114.61 1mbh n LYS 113 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1mbh n LYS 113 Cb 0.34 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.40 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 0.00 -5.49 0.29 1.97 1.74 -1.26 -4.83 116.66 109.08 1mbh n ARG 114 Ca 0.00 0.67 0.17 0.00 -0.77 0.00 0.00 57.85 57.92 1mbh n ARG 114 Cb 0.00 -5.39 0.89 0.00 -1.02 0.00 0.00 32.46 26.95 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 -1.97 0.00 -0.27 -1.55 4.06 -1.92 -0.85 115.95 113.44 1mbh h TRP 115 Ca -0.60 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.29 1mbh h TRP 115 Cb 1.36 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.51 1mbh h TRP 115 CO 0.48 0.05 -0.08 0.66 -3.56 0.00 0.00 178.44 175.99 1mbh h SER 116 N 0.00 0.55 -0.16 -3.49 4.64 -1.93 0.85 113.55 114.01 1mbh h SER 116 Ca -0.00 -0.37 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 1mbh h SER 116 Cb 0.24 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1mbh h SER 116 CO 0.01 0.80 0.02 0.58 -0.87 0.00 0.00 176.83 177.36 1mbh h VAL 117 N 0.29 1.23 -0.69 0.95 2.07 -1.60 -2.06 116.25 116.44 1mbh h VAL 117 Ca 0.07 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.89 1mbh h VAL 117 Cb 0.56 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1mbh h VAL 117 CO 0.03 0.22 0.42 0.40 0.02 0.00 0.00 177.57 178.66 1mbh h ILE 118 N 0.04 1.06 -0.62 4.57 2.04 -1.18 -2.19 117.51 121.24 1mbh h ILE 118 Ca 0.05 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1mbh h ILE 118 Cb 0.32 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1mbh h ILE 118 CO 0.00 0.15 0.34 0.00 0.00 0.00 0.00 178.15 178.64 1mbh h ALA 119 N 1.31 1.44 -0.21 1.87 0.00 -0.63 0.15 119.26 123.18 1mbh h ALA 119 Ca 0.28 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1mbh h ALA 119 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1mbh h ALA 119 CO -0.13 0.47 0.18 0.87 0.00 0.00 0.00 179.25 180.65 1mbh h LYS 120 N 0.86 0.00 0.06 0.00 1.57 -0.71 -2.04 116.57 116.31 1mbh h LYS 120 Ca 0.22 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.63 1mbh h LYS 120 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1mbh h LYS 120 CO -0.04 0.00 -2.23 0.72 -0.57 0.00 0.00 179.45 177.34 1mbh n HIS 121 N -4.13 0.62 -1.54 -1.35 8.25 -0.65 -4.41 115.22 112.00 1mbh n HIS 121 Ca 0.02 0.14 -0.40 0.00 -0.26 0.00 0.00 57.72 57.22 1mbh n HIS 121 Cb 0.32 -1.08 -0.02 0.00 1.12 0.00 0.00 29.99 30.33 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 -3.34 8.13 -4.55 2.41 -0.00 0.43 -4.92 117.00 115.17 1mbh n LEU 122 Ca -0.38 -4.39 -0.37 0.00 -0.00 0.00 0.00 56.01 50.87 1mbh n LEU 122 Cb 1.03 -1.56 -0.03 0.00 -0.00 0.00 0.00 43.42 42.86 1mbh n LEU 122 CO 0.35 1.81 1.86 -0.54 -0.00 0.00 0.00 177.39 180.87 1mbh s LYS 123 N 1.93 2.35 0.00 1.96 1.02 -1.19 -1.96 119.74 123.85 1mbh s LYS 123 Ca 0.61 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.76 1mbh s LYS 123 Cb 0.17 -4.50 0.00 0.00 -0.52 0.00 0.00 37.83 32.98 1mbh s LYS 123 CO -0.07 -3.02 0.00 0.41 -0.92 0.00 0.00 175.35 171.76 1mbh n GLY 124 N 5.88 3.88 3.52 -3.33 0.00 -1.26 -5.11 105.19 108.76 1mbh n GLY 124 Ca 0.31 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 3.78 1.01 1.61 1.81 -0.83 -5.00 118.95 121.33 1mbh s ARG 125 Ca 0.00 -0.42 -0.15 0.00 -1.72 0.00 0.00 55.73 53.44 1mbh s ARG 125 Cb 0.00 -3.31 0.20 0.00 -0.45 0.00 0.00 34.95 31.38 1mbh s ARG 125 CO 0.00 -0.04 1.16 0.96 -0.68 0.00 0.00 175.30 176.70 1mbh s ILE 126 N 1.23 1.89 0.20 1.52 -4.36 -1.26 -4.71 121.20 115.71 1mbh s ILE 126 Ca 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 60.65 60.32 1mbh s ILE 126 Cb -0.14 -2.70 0.17 0.00 1.25 0.00 0.00 42.46 41.04 1mbh s ILE 126 CO 0.04 0.00 1.68 1.23 0.24 0.00 0.00 174.94 178.12 1mbh h GLY 127 N -1.87 0.62 0.94 6.27 0.00 -1.96 -1.73 103.07 105.34 1mbh h GLY 127 Ca -0.48 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1mbh h GLY 127 CO 0.49 -0.17 -0.31 1.70 0.00 0.00 0.00 176.54 178.26 1mbh h LYS 128 N 0.14 -0.78 -0.37 4.80 3.64 -1.94 -0.41 116.57 121.64 1mbh h LYS 128 Ca 0.30 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.80 1mbh h LYS 128 Cb 0.47 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.38 1mbh h LYS 128 CO -0.47 -0.52 -0.38 1.96 -2.27 0.00 0.00 179.45 177.77 1mbh h GLN 129 N -0.81 -0.30 -0.29 1.90 4.20 -1.81 0.16 115.11 118.16 1mbh h GLN 129 Ca -0.07 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.73 1mbh h GLN 129 Cb 0.64 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.42 1mbh h GLN 129 CO 0.10 -0.20 -0.20 0.00 -0.67 0.00 0.00 178.83 177.87 1mbh h ARG 131 N -0.17 -0.97 -0.10 0.00 1.12 0.29 -2.26 114.38 112.29 1mbh h ARG 131 Ca 0.16 0.07 0.04 0.00 -1.11 0.00 0.00 59.98 59.14 1mbh h ARG 131 Cb 0.41 0.22 -0.06 0.00 -0.01 0.00 0.00 29.97 30.53 1mbh h ARG 131 CO -0.40 -0.65 -0.26 0.93 -3.11 0.00 0.00 179.97 176.48 1mbh h GLU 132 N -1.01 -0.33 -1.06 0.20 4.39 -0.51 0.82 114.58 117.08 1mbh h GLU 132 Ca -0.06 0.02 0.31 0.00 0.34 0.00 0.00 59.36 59.97 1mbh h GLU 132 Cb 0.88 0.08 -0.13 0.00 -0.10 0.00 0.00 28.75 29.48 1mbh h GLU 132 CO -0.06 -0.22 0.65 -0.09 -1.16 0.00 0.00 179.01 178.12 1mbh h ARG 133 N -0.35 0.35 0.12 2.33 9.65 -0.67 -2.13 114.38 123.68 1mbh h ARG 133 Ca 0.09 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1mbh h ARG 133 Cb 0.48 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1mbh h ARG 133 CO -0.30 0.23 -0.06 2.35 2.80 0.00 0.00 179.97 184.99 1mbh h TRP 134 N 0.36 -0.15 0.00 2.20 2.91 -0.50 -3.06 115.95 117.70 1mbh h TRP 134 Ca 0.69 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.68 1mbh h TRP 134 Cb 1.69 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 30.38 1mbh h TRP 134 CO -0.01 -0.09 -0.06 0.72 -1.03 0.00 0.00 178.44 177.98 1mbh n HIS 135 N -4.88 0.00 0.17 2.65 8.25 0.12 -2.10 115.22 119.42 1mbh n HIS 135 Ca -0.02 -1.07 0.00 0.00 -0.26 0.00 0.00 57.72 56.37 1mbh n HIS 135 Cb 0.07 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.51 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 1.65 -2.24 0.00 0.41 3.02 -0.93 -4.93 115.26 112.25 1mbh n ASN 136 Ca 0.06 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 1mbh n ASN 136 Cb 0.56 2.20 0.00 0.00 -0.61 0.00 0.00 39.78 41.93 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 -3.29 0.00 0.00 3.10 8.25 -1.16 -4.87 115.22 117.25 1mbh n HIS 137 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1mbh n HIS 137 Cb 0.00 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1mbh n HIS 137 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1mbh n LEU 138 N -2.07 2.37 -4.03 2.41 4.77 -1.23 -4.95 117.00 114.27 1mbh n LEU 138 Ca 0.00 0.11 -0.41 0.00 -0.03 0.00 0.00 56.01 55.67 1mbh n LEU 138 Cb 0.00 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1mbh n LEU 138 CO 0.00 -0.00 -0.19 -3.20 -1.33 0.00 0.00 177.39 172.67 1mbh n ASN 139 N -0.50 -3.54 -0.05 -1.43 2.85 -0.89 -4.88 115.26 106.81 1mbh n ASN 139 Ca 0.00 -1.24 -0.16 0.00 -0.11 0.00 0.00 54.58 53.07 1mbh n ASN 139 Cb 0.00 -2.02 -0.06 0.00 1.24 0.00 0.00 39.78 38.94 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 -2.38 0.84 0.00 1.20 0.13 -1.92 -3.51 132.00 126.36 1mbh h PRO 140 Ca -0.70 -0.61 0.00 0.00 -0.87 0.00 0.00 66.00 63.82 1mbh h PRO 140 Cb 1.40 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.63 1mbh h PRO 140 CO 0.54 1.23 0.00 0.39 -0.23 0.00 0.00 178.00 179.93