#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 4.75 0.70 1.96 -1.09 -1.26 -5.04 121.20 121.22 1mbh s ILE 91 Ca 0.00 1.67 -0.16 0.00 -2.23 0.00 0.00 60.65 59.94 1mbh s ILE 91 Cb 0.00 -4.14 0.02 0.00 -1.58 0.00 0.00 42.46 36.77 1mbh s ILE 91 CO 0.00 0.34 1.20 -1.59 -1.23 0.00 0.00 174.94 173.66 1mbh s LYS 92 N 0.08 2.35 0.72 2.79 0.00 -1.26 -4.97 119.74 119.45 1mbh s LYS 92 Ca 0.40 1.73 -0.16 0.00 0.00 0.00 0.00 55.97 57.94 1mbh s LYS 92 Cb -0.21 -1.86 0.02 0.00 0.00 0.00 0.00 37.83 35.79 1mbh s LYS 92 CO 0.23 -1.67 1.20 0.41 0.00 0.00 0.00 175.35 175.52 1mbh n GLY 93 N 0.31 0.17 2.40 0.59 0.00 -1.26 -4.83 105.19 102.57 1mbh n GLY 93 Ca 0.13 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.35 2.70 -3.02 1.61 -0.04 -1.26 -4.72 135.00 127.92 1mbh n PRO 94 Ca 0.15 -1.66 -0.00 0.00 -0.04 0.00 0.00 63.50 61.94 1mbh n PRO 94 Cb 0.49 -2.51 -0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 3.66 -1.38 -1.26 0.54 7.02 -1.26 -4.94 117.44 119.82 1mbh n TRP 95 Ca 0.58 0.64 -0.30 0.00 -1.02 0.00 0.00 57.50 57.39 1mbh n TRP 95 Cb 0.27 -2.01 0.11 0.00 -2.42 0.00 0.00 31.31 27.27 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 -1.06 3.02 0.25 -0.99 -4.23 -1.26 -4.78 115.64 106.59 1mbh s THR 96 Ca -0.02 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.78 1mbh s THR 96 Cb 0.00 -2.84 0.26 0.00 1.34 0.00 0.00 72.50 71.26 1mbh s THR 96 CO 0.26 -0.43 1.90 0.50 -0.54 0.00 0.00 174.62 176.31 1mbh h LYS 97 N -1.31 1.20 -0.32 3.99 3.64 -1.99 0.14 116.57 121.92 1mbh h LYS 97 Ca -0.47 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 58.71 1mbh h LYS 97 Cb 1.26 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1mbh h LYS 97 CO 0.53 0.79 -0.32 1.49 -2.27 0.00 0.00 179.45 179.67 1mbh h GLU 98 N 1.23 0.79 -0.56 1.90 4.57 -1.98 0.92 114.58 121.45 1mbh h GLU 98 Ca 0.40 -0.42 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1mbh h GLU 98 Cb 0.02 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 1mbh h GLU 98 CO -0.13 1.05 0.30 0.93 -1.18 0.00 0.00 179.01 179.97 1mbh h GLU 99 N 0.56 0.56 -0.29 1.92 5.08 -1.74 0.14 114.58 120.80 1mbh h GLU 99 Ca 0.05 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1mbh h GLU 99 Cb 0.90 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1mbh h GLU 99 CO 0.08 0.37 0.07 -0.44 -1.00 0.00 0.00 179.01 178.09 1mbh h ASP 100 N 0.57 0.44 -0.79 1.42 3.32 -0.84 -2.44 116.42 118.09 1mbh h ASP 100 Ca 0.24 -0.23 0.12 0.00 0.02 0.00 0.00 57.03 57.18 1mbh h ASP 100 Cb 0.13 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 1mbh h ASP 100 CO -0.15 0.55 0.52 -0.61 -1.72 0.00 0.00 179.24 177.83 1mbh h GLN 101 N 0.30 0.61 -0.00 3.56 5.75 -0.06 -0.48 115.11 124.78 1mbh h GLN 101 Ca 0.09 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1mbh h GLN 101 Cb 0.29 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 1mbh h GLN 101 CO 0.00 0.41 0.00 -0.09 -2.65 0.00 0.00 178.83 176.50 1mbh h ARG 102 N 0.63 0.00 -0.10 1.69 9.65 -0.28 0.30 114.38 126.27 1mbh h ARG 102 Ca 0.38 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.26 1mbh h ARG 102 Cb 0.60 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 1mbh h ARG 102 CO -0.15 0.06 0.04 0.28 2.80 0.00 0.00 179.97 183.00 1mbh h VAL 103 N -0.05 1.00 -0.29 0.20 2.07 -0.89 0.16 116.25 118.46 1mbh h VAL 103 Ca 0.00 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1mbh h VAL 103 Cb 0.05 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1mbh h VAL 103 CO -0.00 0.02 -0.08 0.40 0.02 0.00 0.00 177.57 177.93 1mbh h ILE 104 N 0.10 0.69 0.14 4.57 2.04 -0.97 0.12 117.51 124.19 1mbh h ILE 104 Ca 0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1mbh h ILE 104 Cb 0.01 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1mbh h ILE 104 CO -0.03 0.00 -0.09 -0.08 0.00 0.00 0.00 178.15 177.96 1mbh h GLU 105 N -0.02 -0.21 -0.44 2.37 4.81 -0.63 -0.97 114.58 119.49 1mbh h GLU 105 Ca 0.14 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1mbh h GLU 105 Cb 0.23 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1mbh h GLU 105 CO -0.31 -0.14 0.03 -0.07 -0.73 0.00 0.00 179.01 177.79 1mbh h LEU 106 N -0.22 0.66 -0.14 1.64 3.38 -0.59 0.13 115.31 120.18 1mbh h LEU 106 Ca -0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1mbh h LEU 106 Cb 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1mbh h LEU 106 CO 0.01 0.71 -0.15 0.58 0.09 0.00 0.00 178.44 179.68 1mbh h VAL 107 N 0.66 1.35 -0.74 1.22 2.07 -0.63 0.63 116.25 120.81 1mbh h VAL 107 Ca 0.14 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1mbh h VAL 107 Cb 0.37 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1mbh h VAL 107 CO 0.01 0.39 0.36 -0.61 0.02 0.00 0.00 177.57 177.73 1mbh h GLN 108 N -0.03 1.06 0.39 1.57 -0.00 -0.94 0.81 115.11 117.98 1mbh h GLN 108 Ca 0.02 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.50 1mbh h GLN 108 Cb 0.69 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.98 1mbh h GLN 108 CO 0.04 0.82 -0.19 -0.22 0.00 0.00 0.00 178.83 179.28 1mbh h LYS 109 N 1.06 -0.51 0.00 1.69 3.64 -0.64 -3.42 116.57 118.38 1mbh h LYS 109 Ca 0.26 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1mbh h LYS 109 Cb 0.11 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1mbh h LYS 109 CO -0.03 -0.22 0.00 0.66 -2.27 0.00 0.00 179.45 177.59 1mbh n TYR 110 N -5.15 0.00 0.00 1.91 4.01 0.20 -5.08 117.16 113.05 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 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.91 2.92 3.55 2.72 0.00 0.27 -5.02 105.19 111.54 1mbh n GLY 111 Ca 0.00 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.93 -1.02 -1.61 1.61 0.04 -1.26 -3.97 135.00 126.86 1mbh s PRO 112 Ca 0.00 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.32 1mbh s PRO 112 Cb 0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.95 1mbh s PRO 112 CO 0.00 -3.65 0.00 1.63 0.04 0.00 0.00 177.00 175.02 1mbh n LYS 113 N -4.78 -1.30 -2.63 4.56 4.76 -1.26 -4.88 118.16 112.63 1mbh n LYS 113 Ca 0.09 0.94 -0.11 0.00 -2.87 0.00 0.00 58.31 56.36 1mbh n LYS 113 Cb 0.58 -5.31 0.03 0.00 -1.84 0.00 0.00 35.03 28.50 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 -2.59 1.80 0.28 1.97 1.74 -1.25 -4.88 116.66 113.71 1mbh n ARG 114 Ca -0.19 -3.57 0.17 0.00 -0.77 0.00 0.00 57.85 53.49 1mbh n ARG 114 Cb 0.62 -1.55 0.71 0.00 -1.02 0.00 0.00 32.46 31.22 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 2.79 0.00 -0.36 -1.55 4.06 -1.89 -2.48 115.95 116.52 1mbh h TRP 115 Ca -0.02 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.87 1mbh h TRP 115 Cb 1.18 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 1mbh h TRP 115 CO 0.57 0.03 -0.01 1.03 -3.56 0.00 0.00 178.44 176.50 1mbh h SER 116 N 0.00 0.63 0.01 -3.49 0.87 -1.94 0.12 113.55 109.74 1mbh h SER 116 Ca -0.00 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1mbh h SER 116 Cb 0.49 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1mbh h SER 116 CO 0.00 0.79 -0.00 0.58 -0.53 0.00 0.00 176.83 177.67 1mbh h VAL 117 N 0.45 1.24 -0.91 2.23 2.07 -1.87 -0.84 116.25 118.63 1mbh h VAL 117 Ca 0.10 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1mbh h VAL 117 Cb 0.47 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1mbh h VAL 117 CO 0.02 0.19 0.58 0.40 0.02 0.00 0.00 177.57 178.78 1mbh h ILE 118 N -0.33 1.24 -0.52 4.57 2.04 -1.45 -2.44 117.51 120.63 1mbh h ILE 118 Ca -0.00 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 1mbh h ILE 118 Cb 0.32 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1mbh h ILE 118 CO 0.00 0.24 0.03 0.00 0.00 0.00 0.00 178.15 178.42 1mbh h ALA 119 N 1.32 0.70 -0.07 1.87 0.00 -0.68 0.01 119.26 122.40 1mbh h ALA 119 Ca 0.33 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1mbh h ALA 119 Cb -0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1mbh h ALA 119 CO -0.07 0.49 0.07 0.87 0.00 0.00 0.00 179.25 180.61 1mbh h LYS 120 N 0.77 0.00 0.00 0.00 1.57 -0.69 -2.55 116.57 115.67 1mbh h LYS 120 Ca 0.15 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1mbh h LYS 120 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1mbh h LYS 120 CO 0.02 0.00 -0.77 0.45 -0.57 0.00 0.00 179.45 178.58 1mbh h HIS 121 N 0.00 0.01 -0.23 -1.35 3.86 -1.09 -3.38 115.15 112.97 1mbh h HIS 121 Ca 0.03 -0.00 -0.71 0.00 -1.16 0.00 0.00 60.37 58.53 1mbh h HIS 121 Cb 0.17 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.58 1mbh h HIS 121 CO 0.00 1.30 3.03 1.28 0.86 0.00 0.00 177.93 184.40 1mbh n LEU 122 N -4.49 7.05 -4.65 2.43 4.77 -0.05 -4.95 117.00 117.10 1mbh n LEU 122 Ca -0.23 -4.26 -0.51 0.00 -0.03 0.00 0.00 56.01 50.98 1mbh n LEU 122 Cb 0.61 -1.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 1mbh n LEU 122 CO 0.25 1.27 1.16 0.29 -1.33 0.00 0.00 177.39 179.03 1mbh n LYS 123 N 5.42 1.56 0.00 3.23 4.76 -1.19 -1.01 118.16 130.94 1mbh n LYS 123 Ca 0.53 0.57 0.00 0.00 -2.87 0.00 0.00 58.31 56.54 1mbh n LYS 123 Cb 0.37 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 1mbh n LYS 123 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mbh n GLY 124 N 3.41 3.10 3.53 0.72 0.00 -1.26 -5.02 105.19 109.66 1mbh n GLY 124 Ca 0.20 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 3.34 0.99 1.61 1.81 -0.18 -5.03 118.95 121.49 1mbh s ARG 125 Ca 0.00 -0.22 -0.13 0.00 -1.72 0.00 0.00 55.73 53.66 1mbh s ARG 125 Cb 0.00 -4.06 0.18 0.00 -0.45 0.00 0.00 34.95 30.62 1mbh s ARG 125 CO 0.00 -1.56 1.11 0.96 -0.68 0.00 0.00 175.30 175.13 1mbh s ILE 126 N 4.16 1.99 0.33 1.52 -4.36 -1.26 -4.51 121.20 119.08 1mbh s ILE 126 Ca 0.32 0.00 0.09 0.00 -0.26 0.00 0.00 60.65 60.80 1mbh s ILE 126 Cb -0.12 -2.57 0.32 0.00 1.25 0.00 0.00 42.46 41.34 1mbh s ILE 126 CO 0.19 0.00 1.78 1.23 0.24 0.00 0.00 174.94 178.39 1mbh h GLY 127 N -1.82 1.62 0.87 6.27 0.00 -1.95 -1.57 103.07 106.49 1mbh h GLY 127 Ca -0.54 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 1mbh h GLY 127 CO 0.59 -0.07 -0.24 1.70 0.00 0.00 0.00 176.54 178.52 1mbh h LYS 128 N 0.68 -0.58 0.38 4.80 3.64 -1.94 -0.44 116.57 123.11 1mbh h LYS 128 Ca 0.57 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.97 1mbh h LYS 128 Cb 1.01 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1mbh h LYS 128 CO -0.35 -0.38 -0.22 1.96 -2.27 0.00 0.00 179.45 178.18 1mbh h GLN 129 N -0.60 -0.55 -0.43 1.90 4.20 -1.66 0.14 115.11 118.11 1mbh h GLN 129 Ca -0.04 0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1mbh h GLN 129 Cb 0.50 0.13 -0.09 0.00 0.30 0.00 0.00 27.48 28.32 1mbh h GLN 129 CO 0.03 -0.37 -0.15 0.00 -0.67 0.00 0.00 178.83 177.68 1mbh h ARG 131 N -0.05 -0.35 -0.43 0.00 2.43 -0.86 -3.13 114.38 112.00 1mbh h ARG 131 Ca 0.21 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.49 1mbh h ARG 131 Cb 0.37 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.90 1mbh h ARG 131 CO -0.47 -0.23 -0.30 1.49 -1.51 0.00 0.00 179.97 178.95 1mbh h GLU 132 N -0.36 -0.21 -0.67 0.20 4.81 0.07 0.29 114.58 118.71 1mbh h GLU 132 Ca -0.03 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.41 1mbh h GLU 132 Cb 0.29 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1mbh h GLU 132 CO 0.03 -0.14 0.55 -0.09 -0.73 0.00 0.00 179.01 178.64 1mbh h ARG 133 N -0.22 0.00 0.05 1.92 9.65 -1.16 -2.43 114.38 122.19 1mbh h ARG 133 Ca 0.19 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.73 1mbh h ARG 133 Cb 0.52 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.06 1mbh h ARG 133 CO -0.55 0.00 -1.93 1.87 2.80 0.00 0.00 179.97 182.16 1mbh n TRP 134 N -4.03 0.80 -0.11 2.20 -0.00 0.68 -3.72 117.44 113.26 1mbh n TRP 134 Ca 0.13 0.24 -0.09 0.00 -0.00 0.00 0.00 57.50 57.78 1mbh n TRP 134 Cb 0.81 -1.09 0.04 0.00 -0.00 0.00 0.00 31.31 31.07 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 -3.86 0.97 0.11 5.87 8.25 0.62 -3.83 115.22 123.35 1mbh n HIS 135 Ca -0.38 -1.20 0.00 0.00 -0.26 0.00 0.00 57.72 55.89 1mbh n HIS 135 Cb 0.90 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 0.29 -0.08 0.00 0.41 3.02 -1.05 -4.95 115.26 112.90 1mbh n ASN 136 Ca 0.19 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1mbh n ASN 136 Cb 0.74 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 40.20 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 -3.25 0.00 -4.80 3.10 1.44 -1.24 -5.11 115.22 105.35 1mbh n HIS 137 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1mbh n HIS 137 Cb 0.01 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.12 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1mbh n LEU 138 N 0.00 0.00 -3.10 2.39 7.94 -1.26 -4.25 117.00 118.72 1mbh n LEU 138 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 1mbh n LEU 138 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 1mbh n LEU 138 CO 0.00 0.00 0.30 -3.20 -1.11 0.00 0.00 177.39 173.38 1mbh n ASN 139 N -0.72 -7.61 0.07 1.96 2.85 -1.26 -4.99 115.26 105.55 1mbh n ASN 139 Ca 0.00 -0.15 -0.03 0.00 -0.11 0.00 0.00 54.58 54.28 1mbh n ASN 139 Cb 0.00 -5.19 -0.02 0.00 1.24 0.00 0.00 39.78 35.81 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 0.30 -0.21 0.00 1.20 0.13 -2.00 -3.54 132.00 127.88 1mbh h PRO 140 Ca -0.07 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1mbh h PRO 140 Cb 1.04 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1mbh h PRO 140 CO 0.31 -0.14 0.00 0.39 -0.23 0.00 0.00 178.00 178.33