#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 3.51 0.00 -0.08 -1.09 -1.26 -5.06 121.20 117.22 1mbh s ILE 91 Ca 0.00 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 1mbh s ILE 91 Cb 0.00 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 1mbh s ILE 91 CO 0.00 -0.57 0.00 2.29 -1.23 0.00 0.00 174.94 175.43 1mbh n LYS 92 N -2.98 1.75 -0.71 2.79 2.85 -1.26 -4.99 118.16 115.61 1mbh n LYS 92 Ca 0.09 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.03 1mbh n LYS 92 Cb 0.53 0.00 0.15 0.00 -0.65 0.00 0.00 35.03 35.06 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mbh n GLY 93 N 3.53 -1.28 3.40 2.58 0.00 -1.26 -4.77 105.19 107.39 1mbh n GLY 93 Ca 0.00 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.10 1.39 -1.08 1.61 -0.04 -1.26 -4.83 135.00 127.70 1mbh n PRO 94 Ca 0.09 -2.12 0.15 0.00 -0.04 0.00 0.00 63.50 61.58 1mbh n PRO 94 Cb 0.53 -3.37 -0.04 0.00 -0.04 0.00 0.00 33.50 30.58 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 11.84 -3.21 -4.23 0.54 7.02 -1.26 -4.95 117.44 123.18 1mbh n TRP 95 Ca 0.47 1.34 -0.16 0.00 -1.02 0.00 0.00 57.50 58.13 1mbh n TRP 95 Cb 0.44 -2.43 -0.11 0.00 -2.42 0.00 0.00 31.31 26.80 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 -1.70 1.18 0.49 -0.99 -4.23 -1.26 -5.04 115.64 104.09 1mbh s THR 96 Ca 0.00 -1.82 0.22 0.00 -1.18 0.00 0.00 61.69 58.90 1mbh s THR 96 Cb 0.00 -1.60 0.27 0.00 1.34 0.00 0.00 72.50 72.51 1mbh s THR 96 CO 0.00 -0.57 2.11 0.50 -0.54 0.00 0.00 174.62 176.12 1mbh h LYS 97 N 3.26 0.00 -0.03 3.99 1.63 -1.98 0.20 116.57 123.65 1mbh h LYS 97 Ca -0.38 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.39 1mbh h LYS 97 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1mbh h LYS 97 CO 0.56 0.09 -0.09 1.49 -3.45 0.00 0.00 179.45 178.05 1mbh h GLU 98 N 0.00 0.10 -0.85 1.90 4.81 -1.98 -0.05 114.58 118.52 1mbh h GLU 98 Ca -0.00 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1mbh h GLU 98 Cb 0.18 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1mbh h GLU 98 CO 0.01 0.71 0.56 1.49 -0.73 0.00 0.00 179.01 181.05 1mbh h GLU 99 N -0.48 1.12 0.12 1.92 4.81 -1.80 0.40 114.58 120.65 1mbh h GLU 99 Ca -0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1mbh h GLU 99 Cb 0.72 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1mbh h GLU 99 CO 0.02 0.74 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.55 1mbh h ASP 100 N 1.15 -0.13 -1.01 1.04 3.32 -0.60 -2.58 116.42 117.61 1mbh h ASP 100 Ca 0.31 -0.22 0.11 0.00 0.02 0.00 0.00 57.03 57.25 1mbh h ASP 100 Cb -0.13 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.37 1mbh h ASP 100 CO -0.07 0.16 0.64 -0.61 -1.72 0.00 0.00 179.24 177.64 1mbh h GLN 101 N -0.43 1.00 0.02 3.56 5.75 -0.56 0.24 115.11 124.70 1mbh h GLN 101 Ca -0.02 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.44 1mbh h GLN 101 Cb 0.35 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 1mbh h GLN 101 CO 0.03 0.66 -0.13 -0.09 -2.65 0.00 0.00 178.83 176.65 1mbh h ARG 102 N 1.03 -0.22 -0.18 1.69 2.43 -0.77 -0.39 114.38 117.98 1mbh h ARG 102 Ca 0.49 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.66 1mbh h ARG 102 Cb 0.44 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1mbh h ARG 102 CO -0.25 -0.14 0.07 0.28 -1.51 0.00 0.00 179.97 178.41 1mbh h VAL 103 N -0.23 1.17 -0.60 0.20 2.07 -0.94 -1.08 116.25 116.84 1mbh h VAL 103 Ca 0.04 -0.51 0.12 0.00 0.82 0.00 0.00 66.70 67.17 1mbh h VAL 103 Cb 0.27 1.17 -0.10 0.00 -1.52 0.00 0.00 31.29 31.11 1mbh h VAL 103 CO -0.11 0.16 0.05 0.40 0.02 0.00 0.00 177.57 178.09 1mbh h ILE 104 N 0.13 0.55 0.03 4.57 2.04 -0.73 0.81 117.51 124.91 1mbh h ILE 104 Ca 0.06 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1mbh h ILE 104 Cb 0.19 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1mbh h ILE 104 CO -0.00 0.03 -0.02 -0.08 0.00 0.00 0.00 178.15 178.08 1mbh h GLU 105 N 0.16 -0.04 -0.85 2.37 4.22 -0.88 -2.01 114.58 117.55 1mbh h GLU 105 Ca 0.32 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.81 1mbh h GLU 105 Cb 0.50 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1mbh h GLU 105 CO -0.48 0.21 0.56 -0.07 -2.18 0.00 0.00 179.01 177.05 1mbh h LEU 106 N -0.28 0.87 -0.44 1.64 3.38 -0.42 0.21 115.31 120.27 1mbh h LEU 106 Ca -0.00 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1mbh h LEU 106 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1mbh h LEU 106 CO 0.01 0.58 -0.24 0.58 0.09 0.00 0.00 178.44 179.45 1mbh h VAL 107 N 1.00 1.27 -0.36 1.22 2.07 -0.80 -0.07 116.25 120.58 1mbh h VAL 107 Ca 0.35 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 1mbh h VAL 107 Cb 0.13 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1mbh h VAL 107 CO -0.12 0.48 0.03 -0.61 0.02 0.00 0.00 177.57 177.37 1mbh h GLN 108 N 0.79 0.55 0.48 1.57 5.75 -0.47 0.49 115.11 124.27 1mbh h GLN 108 Ca 0.10 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1mbh h GLN 108 Cb 0.82 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.29 1mbh h GLN 108 CO 0.07 0.56 -0.23 -0.22 -2.65 0.00 0.00 178.83 176.36 1mbh h LYS 109 N 0.53 -0.62 0.00 1.69 3.64 -0.24 -3.43 116.57 118.15 1mbh h LYS 109 Ca 0.12 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1mbh h LYS 109 Cb 0.30 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1mbh h LYS 109 CO 0.01 -0.38 0.00 0.66 -2.27 0.00 0.00 179.45 177.47 1mbh n TYR 110 N -5.21 0.00 0.00 1.91 4.01 -0.08 -5.09 117.16 112.71 1mbh n TYR 110 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1mbh n TYR 110 Cb 0.27 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.66 1.58 3.50 2.72 0.00 0.16 -5.02 105.19 109.78 1mbh n GLY 111 Ca 0.00 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.63 -0.94 0.74 1.61 0.04 -1.26 -4.72 135.00 128.83 1mbh s PRO 112 Ca 0.00 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1mbh s PRO 112 Cb 0.00 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1mbh s PRO 112 CO 0.00 -3.72 0.00 1.63 0.04 0.00 0.00 177.00 174.95 1mbh n LYS 113 N -4.91 -0.95 -3.68 4.56 5.02 -1.26 -4.95 118.16 111.99 1mbh n LYS 113 Ca 0.03 0.63 -0.22 0.00 -2.02 0.00 0.00 58.31 56.73 1mbh n LYS 113 Cb 0.55 -1.16 0.03 0.00 -0.02 0.00 0.00 35.03 34.43 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 -2.10 -4.57 0.24 1.97 1.74 -1.26 -4.84 116.66 107.84 1mbh n ARG 114 Ca 0.00 0.62 0.16 0.00 -0.77 0.00 0.00 57.85 57.86 1mbh n ARG 114 Cb 0.22 -5.13 0.82 0.00 -1.02 0.00 0.00 32.46 27.34 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 -1.84 0.00 -0.28 -1.55 4.06 -1.94 -1.87 115.95 112.53 1mbh h TRP 115 Ca -0.61 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.31 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 0.45 0.00 0.07 0.66 -3.56 0.00 0.00 178.44 176.06 1mbh h SER 116 N 0.00 0.41 0.18 -3.49 4.64 -1.96 0.12 113.55 113.45 1mbh h SER 116 Ca 0.00 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1mbh h SER 116 Cb 0.13 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1mbh h SER 116 CO 0.00 0.53 -0.09 0.58 -0.87 0.00 0.00 176.83 176.98 1mbh h VAL 117 N 0.28 0.84 -0.72 0.95 2.07 -1.70 -0.91 116.25 117.06 1mbh h VAL 117 Ca 0.09 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1mbh h VAL 117 Cb 0.27 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1mbh h VAL 117 CO -0.00 0.02 0.45 0.40 0.02 0.00 0.00 177.57 178.47 1mbh h ILE 118 N -0.29 1.20 -0.85 4.57 2.04 -1.51 -2.34 117.51 120.32 1mbh h ILE 118 Ca -0.03 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1mbh h ILE 118 Cb 0.23 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 1mbh h ILE 118 CO 0.04 0.20 0.53 0.00 0.00 0.00 0.00 178.15 178.92 1mbh h ALA 119 N 1.24 1.33 -0.06 1.87 0.00 -0.53 0.50 119.26 123.62 1mbh h ALA 119 Ca 0.26 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1mbh h ALA 119 Cb -0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1mbh h ALA 119 CO -0.05 0.59 0.06 0.87 0.00 0.00 0.00 179.25 180.72 1mbh h LYS 120 N 1.16 0.00 0.06 0.00 1.79 -0.60 -1.95 116.57 117.03 1mbh h LYS 120 Ca 0.31 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.43 1mbh h LYS 120 Cb -0.07 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 1mbh h LYS 120 CO -0.06 0.00 -2.02 0.72 -1.08 0.00 0.00 179.45 177.01 1mbh n HIS 121 N -3.89 0.90 -1.84 -1.35 8.25 -0.46 -4.35 115.22 112.47 1mbh n HIS 121 Ca -0.02 0.23 -0.41 0.00 -0.26 0.00 0.00 57.72 57.27 1mbh n HIS 121 Cb 0.16 -1.13 -0.01 0.00 1.12 0.00 0.00 29.99 30.13 1mbh n HIS 121 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1mbh n LEU 122 N -3.26 7.42 -4.59 2.41 7.99 0.04 -4.94 117.00 122.07 1mbh n LEU 122 Ca -0.30 -4.44 -0.42 0.00 -0.01 0.00 0.00 56.01 50.85 1mbh n LEU 122 Cb 1.05 -1.54 -0.03 0.00 -0.11 0.00 0.00 43.42 42.79 1mbh n LEU 122 CO 0.41 1.54 1.89 0.29 -1.51 0.00 0.00 177.39 180.01 1mbh n LYS 123 N 4.28 1.77 0.00 3.23 5.02 -1.23 -1.19 118.16 130.04 1mbh n LYS 123 Ca 0.56 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 57.28 1mbh n LYS 123 Cb 0.33 -3.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.06 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 5.83 1.17 4.03 0.72 0.00 -1.26 -5.12 105.19 110.56 1mbh n GLY 124 Ca 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.15 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 2.43 0.27 1.61 1.81 -0.33 -5.15 118.95 119.59 1mbh s ARG 125 Ca 0.00 -1.53 0.02 0.00 -1.72 0.00 0.00 55.73 52.50 1mbh s ARG 125 Cb 0.00 -2.67 -0.05 0.00 -0.45 0.00 0.00 34.95 31.78 1mbh s ARG 125 CO 0.00 -0.72 0.11 0.96 -0.68 0.00 0.00 175.30 174.98 1mbh s ILE 126 N -2.59 0.47 0.37 1.52 -0.00 -1.26 -4.94 121.20 114.76 1mbh s ILE 126 Ca 0.60 -2.00 0.15 0.00 -0.00 0.00 0.00 60.65 59.40 1mbh s ILE 126 Cb -0.07 -2.60 0.36 0.00 -0.00 0.00 0.00 42.46 40.16 1mbh s ILE 126 CO 0.38 0.00 1.76 1.23 -0.00 0.00 0.00 174.94 178.31 1mbh h GLY 127 N 2.35 1.45 0.72 6.27 0.00 -1.97 -0.99 103.07 110.90 1mbh h GLY 127 Ca -0.37 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1mbh h GLY 127 CO 0.58 -0.15 -0.25 1.70 0.00 0.00 0.00 176.54 178.42 1mbh h LYS 128 N 0.49 -0.52 -0.34 4.80 3.64 -1.96 -0.22 116.57 122.46 1mbh h LYS 128 Ca 0.60 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.96 1mbh h LYS 128 Cb 1.35 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 1mbh h LYS 128 CO -0.35 -0.35 -0.03 1.96 -2.27 0.00 0.00 179.45 178.42 1mbh h GLN 129 N -0.54 0.62 -0.48 1.90 1.08 -1.65 -0.22 115.11 115.83 1mbh h GLN 129 Ca -0.01 -0.21 0.06 0.00 -1.45 0.00 0.00 58.65 57.04 1mbh h GLN 129 Cb 0.50 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.83 1mbh h GLN 129 CO -0.05 0.76 0.18 0.00 -0.95 0.00 0.00 178.83 178.77 1mbh h ARG 131 N 0.37 -0.27 -0.12 0.00 1.12 -0.92 -2.80 114.38 111.76 1mbh h ARG 131 Ca 0.22 0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.15 1mbh h ARG 131 Cb 0.21 0.06 -0.06 0.00 -0.01 0.00 0.00 29.97 30.17 1mbh h ARG 131 CO -0.21 -0.01 -0.39 1.49 -3.11 0.00 0.00 179.97 177.73 1mbh h GLU 132 N -0.51 -0.46 -0.34 0.20 4.81 -0.64 1.00 114.58 118.64 1mbh h GLU 132 Ca -0.03 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1mbh h GLU 132 Cb 0.38 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1mbh h GLU 132 CO 0.05 -0.31 0.31 -0.09 -0.73 0.00 0.00 179.01 178.24 1mbh h ARG 133 N -0.48 0.00 -0.45 1.92 9.65 -0.94 -0.19 114.38 123.90 1mbh h ARG 133 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1mbh h ARG 133 Cb 0.61 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1mbh h ARG 133 CO -0.38 0.00 0.00 1.87 2.80 0.00 0.00 179.97 184.26 1mbh n TRP 134 N -3.99 1.59 -2.20 2.20 -0.00 0.21 -4.32 117.44 110.94 1mbh n TRP 134 Ca 0.05 -0.79 -0.01 0.00 -0.00 0.00 0.00 57.50 56.76 1mbh n TRP 134 Cb 0.47 -0.42 -0.02 0.00 -0.00 0.00 0.00 31.31 31.34 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 0.17 0.00 0.04 5.87 8.25 -0.10 -4.68 115.22 124.76 1mbh n HIS 135 Ca 0.25 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1mbh n HIS 135 Cb 1.06 0.15 0.00 0.00 1.12 0.00 0.00 29.99 32.32 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 0.07 -0.00 0.41 3.02 -1.09 -4.97 115.26 112.90 1mbh n ASN 136 Ca -0.08 0.13 -0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1mbh n ASN 136 Cb 0.86 0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 40.09 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 -2.83 0.02 0.00 3.10 -0.00 -1.26 -5.04 115.22 109.21 1mbh n HIS 137 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1mbh n HIS 137 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 29.99 29.83 1mbh n HIS 137 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 1mbh n LEU 138 N -2.45 0.00 -2.70 2.41 -0.00 -1.26 -5.00 117.00 107.99 1mbh n LEU 138 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.99 1mbh n LEU 138 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1mbh n LEU 138 CO 0.01 0.00 0.22 -3.20 -0.00 0.00 0.00 177.39 174.42 1mbh n ASN 139 N 0.00 -6.65 0.00 1.45 5.15 -1.26 -4.83 115.26 109.12 1mbh n ASN 139 Ca 0.00 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 1mbh n ASN 139 Cb 0.00 -4.45 0.00 0.00 -0.53 0.00 0.00 39.78 34.80 1mbh n ASN 139 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1mbh n PRO 140 N -1.32 0.00 -0.08 1.20 -0.04 -1.26 -5.05 135.00 128.45 1mbh n PRO 140 Ca 0.02 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1mbh n PRO 140 Cb 0.47 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85