#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 -0.04 -0.51 1.47 2.08 -1.26 -4.94 119.36 116.17 1mbh n ILE 91 Ca 0.00 0.39 0.00 0.00 0.56 0.00 0.00 62.75 63.70 1mbh n ILE 91 Cb 0.00 -0.76 0.00 0.00 -0.75 0.00 0.00 39.64 38.13 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 -3.87 0.08 -0.80 0.38 3.00 -1.26 -5.01 118.16 110.69 1mbh n LYS 92 Ca -0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.97 1mbh n LYS 92 Cb 0.51 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.70 1mbh n LYS 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1mbh s GLY 93 N -2.15 1.67 -0.99 3.14 0.00 -1.26 -4.82 107.32 102.91 1mbh s GLY 93 Ca 0.00 0.44 -0.22 0.00 0.00 0.00 0.00 44.72 44.94 1mbh s GLY 93 CO 0.00 0.88 1.93 -1.55 0.00 0.00 0.00 173.10 174.36 1mbh n PRO 94 N -4.17 1.68 -1.37 2.90 -0.04 -1.26 -4.83 135.00 127.91 1mbh n PRO 94 Ca 0.10 -2.19 0.18 0.00 -0.04 0.00 0.00 63.50 61.55 1mbh n PRO 94 Cb 0.53 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 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 10.15 -3.53 -4.11 0.54 7.02 -1.26 -5.01 117.44 121.25 1mbh n TRP 95 Ca 0.48 1.82 -0.09 0.00 -1.02 0.00 0.00 57.50 58.69 1mbh n TRP 95 Cb 0.43 -3.21 -0.10 0.00 -2.42 0.00 0.00 31.31 26.01 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 -2.90 0.43 0.33 -0.99 -4.23 -1.26 -5.04 115.64 101.98 1mbh s THR 96 Ca 0.00 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1mbh s THR 96 Cb 0.00 -1.36 0.28 0.00 1.34 0.00 0.00 72.50 72.76 1mbh s THR 96 CO 0.00 -0.83 1.96 0.50 -0.54 0.00 0.00 174.62 175.70 1mbh h LYS 97 N 3.37 0.87 -0.34 3.99 3.64 -1.98 0.49 116.57 126.61 1mbh h LYS 97 Ca -0.34 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 58.90 1mbh h LYS 97 Cb 1.16 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1mbh h LYS 97 CO 0.60 0.58 -0.09 1.49 -2.27 0.00 0.00 179.45 179.76 1mbh h GLU 98 N 0.90 0.67 -0.58 1.90 4.81 -1.98 0.79 114.58 121.08 1mbh h GLU 98 Ca 0.32 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1mbh h GLU 98 Cb 0.12 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1mbh h GLU 98 CO -0.10 0.84 0.24 0.93 -0.73 0.00 0.00 179.01 180.19 1mbh h GLU 99 N 0.45 0.86 -0.77 1.92 5.08 -1.78 -2.10 114.58 118.24 1mbh h GLU 99 Ca 0.09 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1mbh h GLU 99 Cb 0.60 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1mbh h GLU 99 CO 0.04 0.73 0.27 -0.44 -1.00 0.00 0.00 179.01 178.61 1mbh h ASP 100 N 0.79 1.09 -0.93 1.42 3.32 -0.78 -2.46 116.42 118.87 1mbh h ASP 100 Ca 0.19 -0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1mbh h ASP 100 Cb 0.19 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 1mbh h ASP 100 CO -0.02 0.99 0.60 -0.61 -1.72 0.00 0.00 179.24 178.48 1mbh h GLN 101 N 1.13 1.07 -0.23 3.56 5.75 -0.35 -0.26 115.11 125.79 1mbh h GLN 101 Ca 0.25 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1mbh h GLN 101 Cb 0.27 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 1mbh h GLN 101 CO -0.01 0.71 0.14 0.00 -2.65 0.00 0.00 178.83 177.01 1mbh h ARG 102 N 1.10 0.31 -0.07 1.69 3.08 -0.94 -0.18 114.38 119.37 1mbh h ARG 102 Ca 0.40 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.44 1mbh h ARG 102 Cb 0.12 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1mbh h ARG 102 CO -0.16 0.25 -0.04 0.28 -1.07 0.00 0.00 179.97 179.23 1mbh h VAL 103 N 0.28 0.87 -0.25 2.04 2.07 -1.02 0.71 116.25 120.96 1mbh h VAL 103 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1mbh h VAL 103 Cb 0.02 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1mbh h VAL 103 CO -0.02 0.00 -0.08 0.40 0.02 0.00 0.00 177.57 177.89 1mbh h ILE 104 N -0.04 0.71 0.28 4.57 2.04 -0.86 0.14 117.51 124.35 1mbh h ILE 104 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1mbh h ILE 104 Cb 0.11 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1mbh h ILE 104 CO -0.10 0.00 -0.14 -0.08 0.00 0.00 0.00 178.15 177.83 1mbh h GLU 105 N -0.03 -0.36 -0.64 2.37 4.81 -0.68 -0.39 114.58 119.66 1mbh h GLU 105 Ca 0.12 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1mbh h GLU 105 Cb 0.22 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1mbh h GLU 105 CO -0.27 -0.24 0.34 -0.07 -0.73 0.00 0.00 179.01 178.04 1mbh h LEU 106 N -0.38 0.80 -0.62 1.64 3.38 -0.62 0.18 115.31 119.68 1mbh h LEU 106 Ca -0.04 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1mbh h LEU 106 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1mbh h LEU 106 CO 0.06 0.65 -0.10 0.58 0.09 0.00 0.00 178.44 179.72 1mbh h VAL 107 N 0.90 1.27 -0.12 1.22 2.07 -0.47 -0.02 116.25 121.08 1mbh h VAL 107 Ca 0.23 -1.24 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 1mbh h VAL 107 Cb 0.05 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1mbh h VAL 107 CO -0.03 0.44 -0.42 -0.61 0.02 0.00 0.00 177.57 176.97 1mbh h GLN 108 N 0.88 0.28 0.55 1.57 4.15 -0.21 0.24 115.11 122.56 1mbh h GLN 108 Ca 0.14 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1mbh h GLN 108 Cb 0.65 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.34 1mbh h GLN 108 CO 0.04 0.65 -0.27 -0.22 -1.93 0.00 0.00 178.83 177.11 1mbh h LYS 109 N 0.23 -0.72 0.00 1.69 3.64 -0.21 -3.41 116.57 117.80 1mbh h LYS 109 Ca 0.02 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1mbh h LYS 109 Cb 0.83 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1mbh h LYS 109 CO 0.07 -0.48 -0.30 1.88 -2.27 0.00 0.00 179.45 178.35 1mbh h TYR 110 N -1.18 0.00 0.00 1.91 0.05 -1.08 -3.51 116.97 113.15 1mbh h TYR 110 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1mbh h TYR 110 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 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 1.69 0.61 3.65 3.88 0.00 0.84 -5.05 105.19 110.80 1mbh n GLY 111 Ca -0.04 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.60 0.76 4.74 1.61 0.04 -1.26 -4.54 135.00 134.76 1mbh s PRO 112 Ca 0.00 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1mbh s PRO 112 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1mbh s PRO 112 CO 0.00 -2.79 0.00 1.63 0.04 0.00 0.00 177.00 175.88 1mbh n LYS 113 N -4.34 0.00 -3.80 4.56 4.76 -1.26 -4.91 118.16 113.17 1mbh n LYS 113 Ca 0.11 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.28 1mbh n LYS 113 Cb 0.52 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.76 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 7.13 -6.31 0.27 1.97 1.74 -1.26 -4.85 116.66 115.35 1mbh n ARG 114 Ca 0.00 0.68 0.15 0.00 -0.77 0.00 0.00 57.85 57.91 1mbh n ARG 114 Cb 0.00 -5.61 0.75 0.00 -1.02 0.00 0.00 32.46 26.58 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 -2.28 0.00 -0.65 -1.55 4.06 -1.93 -1.98 115.95 111.63 1mbh h TRP 115 Ca -0.58 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.33 1mbh h TRP 115 Cb 1.37 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.50 1mbh h TRP 115 CO 0.54 0.08 0.26 0.77 -3.56 0.00 0.00 178.44 176.53 1mbh h SER 116 N 0.00 0.86 0.06 -3.49 0.02 -1.94 0.10 113.55 109.17 1mbh h SER 116 Ca -0.00 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 1mbh h SER 116 Cb 0.41 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.74 1mbh h SER 116 CO 0.01 0.77 -0.45 0.58 -1.14 0.00 0.00 176.83 176.61 1mbh h VAL 117 N 0.93 1.60 -0.89 2.27 2.07 -1.75 -3.14 116.25 117.34 1mbh h VAL 117 Ca 0.22 -2.35 0.01 0.00 0.82 0.00 0.00 66.70 65.40 1mbh h VAL 117 Cb 0.18 3.15 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 1mbh h VAL 117 CO -0.02 0.65 0.59 0.40 0.02 0.00 0.00 177.57 179.20 1mbh h ILE 118 N -0.57 1.23 -0.77 4.57 2.04 -1.35 -2.04 117.51 120.62 1mbh h ILE 118 Ca -0.07 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1mbh h ILE 118 Cb 1.31 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1mbh h ILE 118 CO 0.09 0.23 0.36 0.00 0.00 0.00 0.00 178.15 178.82 1mbh h ALA 119 N 1.43 1.19 0.00 1.87 0.00 -0.89 0.02 119.26 122.88 1mbh h ALA 119 Ca 0.33 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1mbh h ALA 119 Cb -0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.35 1mbh h ALA 119 CO -0.07 0.62 -0.00 0.87 0.00 0.00 0.00 179.25 180.66 1mbh h LYS 120 N 1.10 0.00 0.07 0.00 1.57 -1.31 -2.62 116.57 115.37 1mbh h LYS 120 Ca 0.27 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.77 1mbh h LYS 120 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1mbh h LYS 120 CO -0.03 0.00 -1.50 0.45 -0.57 0.00 0.00 179.45 177.80 1mbh h HIS 121 N 0.00 0.25 -0.17 -1.35 3.86 -1.22 -3.38 115.15 113.14 1mbh h HIS 121 Ca -0.00 -0.18 -0.71 0.00 -1.16 0.00 0.00 60.37 58.32 1mbh h HIS 121 Cb 0.01 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 1mbh h HIS 121 CO 0.00 1.59 3.14 1.28 0.86 0.00 0.00 177.93 184.80 1mbh n LEU 122 N -4.02 7.22 -4.65 2.43 4.32 -0.10 -4.94 117.00 117.26 1mbh n LEU 122 Ca -0.30 -4.25 -0.44 0.00 -0.02 0.00 0.00 56.01 51.00 1mbh n LEU 122 Cb 0.84 -1.62 -0.03 0.00 -1.62 0.00 0.00 43.42 40.99 1mbh n LEU 122 CO 0.32 1.34 1.63 0.29 -1.22 0.00 0.00 177.39 179.75 1mbh n LYS 123 N 5.31 2.52 0.00 3.23 4.76 -1.23 -1.63 118.16 131.12 1mbh n LYS 123 Ca 0.56 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.89 1mbh n LYS 123 Cb 0.36 -2.96 0.00 0.00 -1.84 0.00 0.00 35.03 30.58 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 4.80 3.73 3.99 0.72 0.00 -1.26 -5.10 105.19 112.06 1mbh n GLY 124 Ca 0.23 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 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 2.12 0.28 1.61 1.81 -0.65 -5.13 118.95 118.99 1mbh s ARG 125 Ca 0.00 -1.05 0.02 0.00 -1.72 0.00 0.00 55.73 52.98 1mbh s ARG 125 Cb 0.00 -2.44 -0.05 0.00 -0.45 0.00 0.00 34.95 32.01 1mbh s ARG 125 CO 0.00 -1.06 0.10 0.96 -0.68 0.00 0.00 175.30 174.62 1mbh s ILE 126 N -2.91 0.64 0.28 1.52 -4.36 -1.26 -4.92 121.20 110.19 1mbh s ILE 126 Ca 0.62 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 59.04 1mbh s ILE 126 Cb -0.07 -2.64 0.27 0.00 1.25 0.00 0.00 42.46 41.27 1mbh s ILE 126 CO 0.41 0.00 1.76 1.23 0.24 0.00 0.00 174.94 178.58 1mbh h GLY 127 N 2.29 1.60 0.46 6.27 0.00 -1.95 -1.78 103.07 109.95 1mbh h GLY 127 Ca -0.38 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 46.68 1mbh h GLY 127 CO 0.61 -0.07 -0.26 1.70 0.00 0.00 0.00 176.54 178.52 1mbh h LYS 128 N 0.68 -0.42 0.22 4.80 3.64 -1.96 0.53 116.57 124.06 1mbh h LYS 128 Ca 0.53 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.93 1mbh h LYS 128 Cb 0.80 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1mbh h LYS 128 CO -0.39 -0.28 -0.10 1.96 -2.27 0.00 0.00 179.45 178.37 1mbh h GLN 129 N -0.43 -0.28 -0.59 1.90 1.08 -1.77 -0.88 115.11 114.14 1mbh h GLN 129 Ca 0.05 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.36 1mbh h GLN 129 Cb 0.49 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.91 1mbh h GLN 129 CO -0.20 -0.07 0.19 0.00 -0.95 0.00 0.00 178.83 177.80 1mbh h ARG 131 N 0.35 -0.59 -0.51 0.00 1.12 -0.74 -2.32 114.38 111.70 1mbh h ARG 131 Ca 0.30 0.04 0.06 0.00 -1.11 0.00 0.00 59.98 59.28 1mbh h ARG 131 Cb 0.39 0.13 -0.06 0.00 -0.01 0.00 0.00 29.97 30.43 1mbh h ARG 131 CO -0.33 -0.40 0.20 0.93 -3.11 0.00 0.00 179.97 177.26 1mbh h GLU 132 N -0.62 0.37 -0.85 0.20 5.08 -0.63 -0.42 114.58 117.72 1mbh h GLU 132 Ca -0.05 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1mbh h GLU 132 Cb 0.50 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1mbh h GLU 132 CO 0.06 0.25 0.55 -0.09 -1.00 0.00 0.00 179.01 178.78 1mbh h ARG 133 N 0.39 0.70 -0.64 2.33 9.65 -0.81 0.49 114.38 126.48 1mbh h ARG 133 Ca 0.24 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1mbh h ARG 133 Cb 0.24 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1mbh h ARG 133 CO -0.23 0.46 0.00 1.87 2.80 0.00 0.00 179.97 184.87 1mbh n TRP 134 N -4.54 1.00 -2.40 2.20 -0.00 -0.22 -3.77 117.44 109.72 1mbh n TRP 134 Ca 0.16 -0.38 -0.01 0.00 -0.00 0.00 0.00 57.50 57.26 1mbh n TRP 134 Cb 0.40 -0.22 0.01 0.00 -0.00 0.00 0.00 31.31 31.50 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 0.51 -0.14 0.00 5.87 8.25 0.12 -4.38 115.22 125.46 1mbh n HIS 135 Ca 0.16 -0.94 0.00 0.00 -0.26 0.00 0.00 57.72 56.68 1mbh n HIS 135 Cb 0.65 0.34 0.00 0.00 1.12 0.00 0.00 29.99 32.10 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 -0.16 0.00 0.03 0.41 3.02 -0.93 -4.95 115.26 112.68 1mbh n ASN 136 Ca -0.10 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.26 1mbh n ASN 136 Cb 0.90 0.05 -0.12 0.00 -0.61 0.00 0.00 39.78 39.99 1mbh n ASN 136 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1mbh h HIS 137 N 0.00 0.66 -3.80 3.10 3.86 -1.80 -3.47 115.15 113.70 1mbh h HIS 137 Ca 0.00 -0.40 -0.17 0.00 -1.16 0.00 0.00 60.37 58.65 1mbh h HIS 137 Cb 0.00 -0.06 -0.22 0.00 1.06 0.00 0.00 27.41 28.20 1mbh h HIS 137 CO 0.00 1.25 -0.63 -0.48 0.86 0.00 0.00 177.93 178.92 1mbh s LEU 138 N -8.14 1.99 -0.40 2.43 2.34 -1.25 -5.08 118.68 110.56 1mbh s LEU 138 Ca -0.13 -0.34 0.05 0.00 0.06 0.00 0.00 54.13 53.77 1mbh s LEU 138 Cb 0.03 0.28 0.31 0.00 -0.56 0.00 0.00 46.19 46.25 1mbh s LEU 138 CO 0.84 -0.29 1.22 -3.20 -1.06 0.00 0.00 176.35 173.87 1mbh n ASN 139 N 1.72 -1.87 0.16 1.48 4.05 -1.26 -3.26 115.26 116.28 1mbh n ASN 139 Ca -0.22 -2.81 -0.14 0.00 0.45 0.00 0.00 54.58 51.86 1mbh n ASN 139 Cb 0.56 1.53 -0.07 0.00 1.23 0.00 0.00 39.78 43.03 1mbh n ASN 139 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1mbh h PRO 140 N 2.76 -0.33 -0.00 1.20 0.13 -1.98 -3.50 132.00 130.27 1mbh h PRO 140 Ca -0.20 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1mbh h PRO 140 Cb 1.15 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1mbh h PRO 140 CO 0.07 -0.22 0.00 0.39 -0.23 0.00 0.00 178.00 178.01