#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 3.47 -0.35 1.47 -1.09 -1.26 -4.88 121.20 118.56 1mbh s ILE 91 Ca 0.00 0.06 -0.00 0.00 -2.23 0.00 0.00 60.65 58.48 1mbh s ILE 91 Cb 0.00 -4.18 0.14 0.00 -1.58 0.00 0.00 42.46 36.84 1mbh s ILE 91 CO 0.00 -1.13 0.21 -0.75 -1.23 0.00 0.00 174.94 172.03 1mbh s LYS 92 N 6.71 0.54 0.31 2.79 2.20 -1.26 -4.80 119.74 126.22 1mbh s LYS 92 Ca 0.61 -1.29 0.07 0.00 -0.36 0.00 0.00 55.97 55.00 1mbh s LYS 92 Cb -0.10 -1.31 -0.02 0.00 -1.51 0.00 0.00 37.83 34.89 1mbh s LYS 92 CO 0.13 -1.20 0.37 0.20 -0.36 0.00 0.00 175.35 174.50 1mbh s GLY 93 N 1.12 1.55 -0.04 5.54 0.00 -1.26 -5.04 107.32 109.20 1mbh s GLY 93 Ca 0.17 -1.46 -0.33 0.00 0.00 0.00 0.00 44.72 43.11 1mbh s GLY 93 CO -0.01 -1.41 1.91 -1.05 0.00 0.00 0.00 173.10 172.54 1mbh n PRO 94 N -1.48 2.44 -2.08 2.90 -0.01 -1.26 -4.91 135.00 130.60 1mbh n PRO 94 Ca -0.03 0.89 -0.40 0.00 -0.01 0.00 0.00 63.50 63.95 1mbh n PRO 94 Cb 0.58 -2.78 -0.02 0.00 -0.01 0.00 0.00 33.50 31.28 1mbh n PRO 94 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 175.50 173.91 1mbh s TRP 95 N 4.14 2.96 0.19 6.00 0.52 -1.26 -5.02 118.94 126.47 1mbh s TRP 95 Ca 0.91 1.40 0.05 0.00 0.02 0.00 0.00 56.10 58.48 1mbh s TRP 95 Cb -0.60 -3.70 -0.04 0.00 -1.15 0.00 0.00 33.47 27.99 1mbh s TRP 95 CO 0.48 -1.98 0.21 0.95 0.02 0.00 0.00 176.95 176.63 1mbh s THR 96 N -1.17 4.78 0.25 2.01 -4.23 -1.26 -4.99 115.64 111.03 1mbh s THR 96 Ca 0.51 -1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1mbh s THR 96 Cb -0.40 -3.49 0.22 0.00 1.34 0.00 0.00 72.50 70.17 1mbh s THR 96 CO 0.53 -0.18 1.83 0.50 -0.54 0.00 0.00 174.62 176.75 1mbh h LYS 97 N 2.01 0.86 -0.33 3.99 3.64 -1.99 -0.25 116.57 124.50 1mbh h LYS 97 Ca -0.49 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.78 1mbh h LYS 97 Cb 1.21 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1mbh h LYS 97 CO 0.64 0.57 -0.05 0.93 -2.27 0.00 0.00 179.45 179.27 1mbh h GLU 98 N 0.89 0.61 -0.25 1.90 3.07 -1.98 0.66 114.58 119.48 1mbh h GLU 98 Ca 0.40 -0.22 0.01 0.00 -0.50 0.00 0.00 59.36 59.06 1mbh h GLU 98 Cb 0.31 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1mbh h GLU 98 CO -0.22 0.77 0.13 1.49 -1.40 0.00 0.00 179.01 179.78 1mbh h GLU 99 N 0.40 0.27 -0.08 2.33 4.81 -1.79 0.47 114.58 120.99 1mbh h GLU 99 Ca 0.09 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1mbh h GLU 99 Cb 0.53 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1mbh h GLU 99 CO 0.03 0.18 0.05 -0.44 -0.73 0.00 0.00 179.01 178.09 1mbh h ASP 100 N 0.28 0.10 -1.01 1.04 3.32 -0.96 -1.99 116.42 117.19 1mbh h ASP 100 Ca 0.10 -0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.21 1mbh h ASP 100 Cb 0.02 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.46 1mbh h ASP 100 CO -0.06 0.11 0.64 -0.61 -1.72 0.00 0.00 179.24 177.60 1mbh h GLN 101 N 0.07 1.00 -0.03 3.56 5.75 -0.52 0.48 115.11 125.41 1mbh h GLN 101 Ca 0.03 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1mbh h GLN 101 Cb 0.04 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.36 1mbh h GLN 101 CO -0.01 0.66 0.02 -0.09 -2.65 0.00 0.00 178.83 176.76 1mbh h ARG 102 N 1.03 0.05 -0.44 1.69 2.43 -0.48 -0.77 114.38 117.89 1mbh h ARG 102 Ca 0.49 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1mbh h ARG 102 Cb 0.43 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1mbh h ARG 102 CO -0.25 0.12 0.28 0.28 -1.51 0.00 0.00 179.97 178.89 1mbh h VAL 103 N -0.04 1.12 -0.27 0.20 2.07 -0.58 -0.04 116.25 118.71 1mbh h VAL 103 Ca 0.01 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1mbh h VAL 103 Cb 0.09 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 1mbh h VAL 103 CO -0.00 0.12 -0.11 0.40 0.02 0.00 0.00 177.57 178.00 1mbh h ILE 104 N 0.58 0.63 0.29 4.57 2.04 -0.74 0.72 117.51 125.60 1mbh h ILE 104 Ca 0.16 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1mbh h ILE 104 Cb -0.04 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1mbh h ILE 104 CO -0.03 0.00 -0.14 -0.08 0.00 0.00 0.00 178.15 177.89 1mbh h GLU 105 N -0.07 -0.38 -0.99 2.37 4.22 -0.75 -0.60 114.58 118.36 1mbh h GLU 105 Ca 0.14 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.67 1mbh h GLU 105 Cb 0.28 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 1mbh h GLU 105 CO -0.32 -0.26 0.64 -0.07 -2.18 0.00 0.00 179.01 176.83 1mbh h LEU 106 N -0.40 1.03 -0.42 1.64 3.38 -0.67 0.15 115.31 120.03 1mbh h LEU 106 Ca -0.04 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1mbh h LEU 106 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1mbh h LEU 106 CO 0.06 0.66 -0.18 0.58 0.09 0.00 0.00 178.44 179.66 1mbh h VAL 107 N 1.17 1.28 -0.20 1.22 2.07 -0.64 0.50 116.25 121.64 1mbh h VAL 107 Ca 0.43 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1mbh h VAL 107 Cb 0.16 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1mbh h VAL 107 CO -0.17 0.44 -0.14 -0.61 0.02 0.00 0.00 177.57 177.12 1mbh h GLN 108 N 0.67 0.32 0.28 1.57 4.15 -0.20 0.27 115.11 122.18 1mbh h GLN 108 Ca 0.10 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1mbh h GLN 108 Cb 0.73 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1mbh h GLN 108 CO 0.06 0.47 -0.13 -0.22 -1.93 0.00 0.00 178.83 177.07 1mbh h LYS 109 N 0.30 -0.36 0.00 1.69 3.64 -0.40 -3.41 116.57 118.03 1mbh h LYS 109 Ca 0.06 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1mbh h LYS 109 Cb 0.43 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1mbh h LYS 109 CO 0.03 -0.24 -0.03 1.88 -2.27 0.00 0.00 179.45 178.81 1mbh h TYR 110 N -1.09 0.00 0.00 1.91 0.05 -0.94 -3.51 116.97 113.38 1mbh h TYR 110 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1mbh h TYR 110 Cb 0.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1mbh h TYR 110 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1mbh n GLY 111 N 1.85 1.48 3.52 3.88 0.00 0.96 -5.05 105.19 111.84 1mbh n GLY 111 Ca -0.00 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.74 -0.84 4.34 1.61 0.04 -1.26 -4.59 135.00 132.56 1mbh s PRO 112 Ca 0.00 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1mbh s PRO 112 Cb 0.00 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1mbh s PRO 112 CO 0.00 -3.62 0.00 1.63 0.04 0.00 0.00 177.00 175.05 1mbh n LYS 113 N -4.82 0.00 -3.68 4.56 4.76 -1.26 -4.92 118.16 112.81 1mbh n LYS 113 Ca 0.04 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.26 1mbh n LYS 113 Cb 0.56 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.78 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 2.49 -4.42 -1.42 1.97 1.74 -1.26 -4.82 116.66 110.93 1mbh n ARG 114 Ca 0.00 0.62 -0.40 0.00 -0.77 0.00 0.00 57.85 57.30 1mbh n ARG 114 Cb 0.00 -5.11 -0.02 0.00 -1.02 0.00 0.00 32.46 26.30 1mbh n ARG 114 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1mbh n TRP 115 N -4.21 2.73 0.06 -1.55 7.02 -1.26 -3.34 117.44 116.90 1mbh n TRP 115 Ca -0.27 -3.02 0.00 0.00 -1.02 0.00 0.00 57.50 53.18 1mbh n TRP 115 Cb 0.67 -2.49 0.00 0.00 -2.42 0.00 0.00 31.31 27.07 1mbh n TRP 115 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1mbh n SER 116 N 4.40 -0.65 -0.17 -0.99 2.88 -1.26 -4.25 113.62 113.57 1mbh n SER 116 Ca 0.70 0.23 -0.08 0.00 -1.33 0.00 0.00 58.87 58.38 1mbh n SER 116 Cb 0.28 0.79 0.01 0.00 -0.75 0.00 0.00 64.21 64.54 1mbh n SER 116 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1mbh h VAL 117 N 0.00 1.21 -0.49 2.46 2.07 -1.95 0.21 116.25 119.76 1mbh h VAL 117 Ca 0.00 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1mbh h VAL 117 Cb 0.00 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1mbh h VAL 117 CO 0.00 0.25 0.17 0.40 0.02 0.00 0.00 177.57 178.41 1mbh h ILE 118 N 0.66 1.22 -0.89 4.57 2.04 -1.90 -2.75 117.51 120.45 1mbh h ILE 118 Ca 0.16 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1mbh h ILE 118 Cb 0.21 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1mbh h ILE 118 CO -0.01 0.27 0.50 0.00 0.00 0.00 0.00 178.15 178.91 1mbh h ALA 119 N 1.02 1.21 -0.05 1.87 0.00 -1.74 0.49 119.26 122.06 1mbh h ALA 119 Ca 0.16 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1mbh h ALA 119 Cb 0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1mbh h ALA 119 CO -0.01 0.65 0.05 0.87 0.00 0.00 0.00 179.25 180.81 1mbh h LYS 120 N 1.24 0.00 0.06 0.00 1.57 -0.67 -2.38 116.57 116.39 1mbh h LYS 120 Ca 0.31 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.86 1mbh h LYS 120 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1mbh h LYS 120 CO -0.05 0.00 -1.24 0.45 -0.57 0.00 0.00 179.45 178.03 1mbh h HIS 121 N 0.00 0.22 -0.55 -1.35 3.86 -1.13 -3.38 115.15 112.83 1mbh h HIS 121 Ca 0.02 -0.16 -0.72 0.00 -1.16 0.00 0.00 60.37 58.36 1mbh h HIS 121 Cb 0.12 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.52 1mbh h HIS 121 CO 0.00 1.49 2.93 1.28 0.86 0.00 0.00 177.93 184.49 1mbh n LEU 122 N -4.16 7.55 -4.62 2.43 7.99 0.06 -4.97 117.00 121.28 1mbh n LEU 122 Ca -0.27 -4.46 -0.49 0.00 -0.01 0.00 0.00 56.01 50.78 1mbh n LEU 122 Cb 0.78 -1.53 -0.05 0.00 -0.11 0.00 0.00 43.42 42.51 1mbh n LEU 122 CO 0.32 1.61 1.00 0.29 -1.51 0.00 0.00 177.39 179.10 1mbh n LYS 123 N 4.08 1.58 0.00 3.23 4.76 -1.16 -1.15 118.16 129.50 1mbh n LYS 123 Ca 0.58 0.57 0.00 0.00 -2.87 0.00 0.00 58.31 56.59 1mbh n LYS 123 Cb 0.31 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 31.26 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 2.78 3.09 3.51 0.72 0.00 -1.26 -5.00 105.19 109.03 1mbh n GLY 124 Ca 0.17 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 3.19 1.14 1.61 1.81 -0.30 -4.85 118.95 121.55 1mbh s ARG 125 Ca 0.00 -0.47 -0.14 0.00 -1.72 0.00 0.00 55.73 53.40 1mbh s ARG 125 Cb 0.00 -4.18 0.26 0.00 -0.45 0.00 0.00 34.95 30.58 1mbh s ARG 125 CO 0.00 -1.90 1.05 0.96 -0.68 0.00 0.00 175.30 174.73 1mbh s ILE 126 N 4.77 1.89 0.38 1.52 -0.00 -1.26 -4.61 121.20 123.89 1mbh s ILE 126 Ca 0.29 0.00 0.15 0.00 -0.00 0.00 0.00 60.65 61.10 1mbh s ILE 126 Cb -0.12 -2.29 0.37 0.00 -0.00 0.00 0.00 42.46 40.42 1mbh s ILE 126 CO 0.14 0.00 1.79 1.23 -0.00 0.00 0.00 174.94 178.10 1mbh h GLY 127 N -2.43 1.30 0.87 6.27 0.00 -1.96 0.18 103.07 107.30 1mbh h GLY 127 Ca -0.56 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 46.55 1mbh h GLY 127 CO 0.50 -0.10 0.31 1.70 0.00 0.00 0.00 176.54 178.94 1mbh h LYS 128 N 0.48 0.59 0.73 4.80 1.63 -1.89 -0.22 116.57 122.68 1mbh h LYS 128 Ca 0.57 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.30 1mbh h LYS 128 Cb 1.30 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 32.81 1mbh h LYS 128 CO -0.30 0.39 -0.35 1.96 -3.45 0.00 0.00 179.45 177.70 1mbh h GLN 129 N 0.61 -0.94 -0.56 1.90 1.08 -1.27 0.29 115.11 116.22 1mbh h GLN 129 Ca 0.21 0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.53 1mbh h GLN 129 Cb 0.03 0.21 -0.05 0.00 -0.05 0.00 0.00 27.48 27.62 1mbh h GLN 129 CO -0.10 -0.61 0.27 0.00 -0.95 0.00 0.00 178.83 177.44 1mbh h ARG 131 N 0.50 -0.47 0.14 0.00 2.43 -0.95 -2.51 114.38 113.52 1mbh h ARG 131 Ca 0.26 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1mbh h ARG 131 Cb 0.21 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1mbh h ARG 131 CO -0.20 -0.31 -0.16 1.49 -1.51 0.00 0.00 179.97 179.27 1mbh h GLU 132 N -0.49 -0.33 -0.92 0.20 4.81 -0.54 0.20 114.58 117.52 1mbh h GLU 132 Ca -0.04 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.39 1mbh h GLU 132 Cb 0.39 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.77 1mbh h GLU 132 CO 0.06 -0.22 0.59 -0.09 -0.73 0.00 0.00 179.01 178.62 1mbh h ARG 133 N -0.34 0.58 0.00 1.92 9.65 -1.01 -3.02 114.38 122.16 1mbh h ARG 133 Ca 0.01 -0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 58.69 1mbh h ARG 133 Cb 0.34 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 1mbh h ARG 133 CO -0.06 0.38 -0.90 2.35 2.80 0.00 0.00 179.97 184.55 1mbh h TRP 134 N 0.60 0.00 0.00 2.20 2.91 -0.98 -3.23 115.95 117.45 1mbh h TRP 134 Ca 0.48 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.50 1mbh h TRP 134 Cb 0.93 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 1mbh h TRP 134 CO -0.00 1.35 0.00 0.72 -1.03 0.00 0.00 178.44 179.48 1mbh n HIS 135 N -4.48 0.00 0.15 2.65 8.25 0.65 -3.91 115.22 118.52 1mbh n HIS 135 Ca -0.26 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 1mbh n HIS 135 Cb 0.63 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.54 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 0.42 -0.67 0.00 0.41 3.02 -1.15 -4.98 115.26 112.32 1mbh n ASN 136 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1mbh n ASN 136 Cb 0.38 0.82 0.00 0.00 -0.61 0.00 0.00 39.78 40.37 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 -3.40 0.00 -1.58 3.10 8.25 -1.22 -4.95 115.22 115.43 1mbh n HIS 137 Ca 0.00 0.00 -0.51 0.00 -0.26 0.00 0.00 57.72 56.95 1mbh n HIS 137 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1mbh n HIS 137 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1mbh n LEU 138 N 0.00 1.44 -2.75 2.41 -0.00 -1.26 -4.95 117.00 111.89 1mbh n LEU 138 Ca 0.00 1.13 -0.07 0.00 -0.00 0.00 0.00 56.01 57.07 1mbh n LEU 138 Cb 0.00 -1.18 0.04 0.00 -0.00 0.00 0.00 43.42 42.28 1mbh n LEU 138 CO 0.00 -1.25 0.19 -3.20 -0.00 0.00 0.00 177.39 173.13 1mbh n ASN 139 N 2.23 -2.99 0.00 1.45 4.05 -1.26 -4.68 115.26 114.05 1mbh n ASN 139 Ca 0.17 -3.25 0.00 0.00 0.45 0.00 0.00 54.58 51.95 1mbh n ASN 139 Cb 0.21 1.82 0.00 0.00 1.23 0.00 0.00 39.78 43.04 1mbh n ASN 139 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1mbh n PRO 140 N 1.85 0.00 -0.12 1.20 -0.04 -1.26 -5.18 135.00 131.44 1mbh n PRO 140 Ca 0.10 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1mbh n PRO 140 Cb 0.62 -0.83 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85