#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 -0.23 -1.23 -0.08 2.08 0.13 -5.06 119.36 114.97 1mbh n ILE 91 Ca 0.00 0.46 0.00 0.00 0.56 0.00 0.00 62.75 63.77 1mbh n ILE 91 Cb 0.00 -0.81 0.00 0.00 -0.75 0.00 0.00 39.64 38.08 1mbh n ILE 91 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1mbh n LYS 92 N -3.75 0.00 -0.39 0.38 2.85 -1.26 -4.99 118.16 110.99 1mbh n LYS 92 Ca -0.04 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.05 1mbh n LYS 92 Cb 0.48 0.00 0.15 0.00 -0.65 0.00 0.00 35.03 35.01 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 0.00 -3.16 2.54 2.58 0.00 -1.26 -4.79 105.19 101.10 1mbh n GLY 93 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.70 2.60 -1.48 1.61 -0.04 -1.26 -4.87 135.00 127.87 1mbh n PRO 94 Ca 0.08 -1.74 0.19 0.00 -0.04 0.00 0.00 63.50 61.99 1mbh n PRO 94 Cb 0.33 -2.60 -0.07 0.00 -0.04 0.00 0.00 33.50 31.12 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 4.19 -3.85 -4.16 0.54 7.02 -1.26 -5.02 117.44 114.90 1mbh n TRP 95 Ca 0.56 2.02 -0.10 0.00 -1.02 0.00 0.00 57.50 58.96 1mbh n TRP 95 Cb 0.18 -3.50 -0.10 0.00 -2.42 0.00 0.00 31.31 25.47 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 -3.34 0.34 0.32 -0.99 -4.23 -1.26 -5.03 115.64 101.46 1mbh s THR 96 Ca 0.00 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1mbh s THR 96 Cb 0.00 -1.89 0.27 0.00 1.34 0.00 0.00 72.50 72.22 1mbh s THR 96 CO 0.00 -0.65 1.97 0.50 -0.54 0.00 0.00 174.62 175.91 1mbh h LYS 97 N 2.91 0.96 0.06 3.99 3.64 -1.98 0.12 116.57 126.27 1mbh h LYS 97 Ca -0.35 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1mbh h LYS 97 Cb 1.18 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1mbh h LYS 97 CO 0.62 0.64 -0.03 1.49 -2.27 0.00 0.00 179.45 179.90 1mbh h GLU 98 N 0.99 -0.07 -0.52 1.90 4.22 -1.98 0.35 114.58 119.47 1mbh h GLU 98 Ca 0.29 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.80 1mbh h GLU 98 Cb -0.04 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1mbh h GLU 98 CO -0.07 0.32 0.21 1.49 -2.18 0.00 0.00 179.01 178.78 1mbh h GLU 99 N -0.49 0.40 -0.23 1.92 4.81 -1.87 0.14 114.58 119.25 1mbh h GLU 99 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1mbh h GLU 99 Cb 0.43 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1mbh h GLU 99 CO 0.01 0.26 0.11 -0.44 -0.73 0.00 0.00 179.01 178.23 1mbh h ASP 100 N 0.41 0.31 -0.86 1.04 3.32 -0.96 -2.23 116.42 117.44 1mbh h ASP 100 Ca 0.24 -0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.27 1mbh h ASP 100 Cb 0.23 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 1mbh h ASP 100 CO -0.22 0.34 0.56 -0.61 -1.72 0.00 0.00 179.24 177.59 1mbh h GLN 101 N 0.25 0.82 -0.31 3.56 5.75 -0.08 -0.67 115.11 124.42 1mbh h GLN 101 Ca 0.08 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1mbh h GLN 101 Cb 0.12 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1mbh h GLN 101 CO -0.01 0.54 0.16 -0.09 -2.65 0.00 0.00 178.83 176.78 1mbh h ARG 102 N 0.84 0.44 -0.15 1.69 2.43 -0.26 -0.83 114.38 118.54 1mbh h ARG 102 Ca 0.40 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1mbh h ARG 102 Cb 0.41 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1mbh h ARG 102 CO -0.16 0.40 0.06 0.28 -1.51 0.00 0.00 179.97 179.03 1mbh h VAL 103 N 0.37 0.98 -0.13 0.20 2.07 -0.64 0.28 116.25 119.38 1mbh h VAL 103 Ca 0.11 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1mbh h VAL 103 Cb 0.09 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1mbh h VAL 103 CO -0.02 0.03 -0.25 0.40 0.02 0.00 0.00 177.57 177.76 1mbh h ILE 104 N 0.14 0.41 0.51 4.57 2.04 -0.93 0.53 117.51 124.79 1mbh h ILE 104 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1mbh h ILE 104 Cb 0.03 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1mbh h ILE 104 CO -0.06 0.00 -0.31 -0.08 0.00 0.00 0.00 178.15 177.71 1mbh h GLU 105 N -0.31 -0.75 -0.54 2.37 4.81 -0.89 -1.29 114.58 117.99 1mbh h GLU 105 Ca 0.10 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.47 1mbh h GLU 105 Cb 0.46 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.94 1mbh h GLU 105 CO -0.31 -0.50 0.17 -0.07 -0.73 0.00 0.00 179.01 177.57 1mbh h LEU 106 N -0.77 0.14 -1.10 1.64 3.38 -0.71 0.33 115.31 118.22 1mbh h LEU 106 Ca -0.06 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1mbh h LEU 106 Cb 0.63 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1mbh h LEU 106 CO 0.07 0.10 0.15 0.58 0.09 0.00 0.00 178.44 179.43 1mbh h VAL 107 N 0.34 1.21 0.00 1.22 2.07 -0.78 0.64 116.25 120.95 1mbh h VAL 107 Ca 0.27 -0.74 -0.13 0.00 0.82 0.00 0.00 66.70 66.91 1mbh h VAL 107 Cb 0.33 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1mbh h VAL 107 CO -0.29 0.28 -0.62 -0.61 0.02 0.00 0.00 177.57 176.35 1mbh h GLN 108 N 0.77 0.00 0.20 1.57 4.15 0.03 -0.43 115.11 121.40 1mbh h GLN 108 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1mbh h GLN 108 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1mbh h GLN 108 CO -0.01 0.62 -0.09 0.87 -1.93 0.00 0.00 178.83 178.29 1mbh h LYS 109 N 0.00 -0.25 0.00 1.69 1.57 0.36 -3.42 116.57 116.51 1mbh h LYS 109 Ca -0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1mbh h LYS 109 Cb 1.22 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1mbh h LYS 109 CO 0.08 -0.17 -0.15 1.88 -0.57 0.00 0.00 179.45 180.52 1mbh h TYR 110 N -0.87 0.00 0.00 -1.35 0.05 -1.02 -3.51 116.97 110.27 1mbh h TYR 110 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1mbh h TYR 110 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 1mbh h TYR 110 CO 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 1mbh n GLY 111 N 1.77 0.82 3.48 3.88 0.00 -0.17 -5.04 105.19 109.93 1mbh n GLY 111 Ca -0.02 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.65 -1.16 4.03 1.61 0.04 -1.26 -4.52 135.00 132.09 1mbh s PRO 112 Ca 0.00 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1mbh s PRO 112 Cb 0.00 -1.54 0.00 0.00 0.04 0.00 0.00 34.50 33.00 1mbh s PRO 112 CO 0.00 -3.83 0.00 1.63 0.04 0.00 0.00 177.00 174.84 1mbh n LYS 113 N -4.96 0.00 -3.92 4.56 5.02 -1.26 -4.89 118.16 112.71 1mbh n LYS 113 Ca 0.04 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 1mbh n LYS 113 Cb 0.56 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.58 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 0.27 -4.96 0.21 1.97 1.74 -1.26 -4.83 116.66 109.80 1mbh n ARG 114 Ca 0.00 0.56 0.15 0.00 -0.77 0.00 0.00 57.85 57.79 1mbh n ARG 114 Cb 0.00 -5.31 0.68 0.00 -1.02 0.00 0.00 32.46 26.81 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 -1.96 0.00 -0.06 -1.55 4.06 -1.95 -2.09 115.95 112.39 1mbh h TRP 115 Ca -0.59 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.34 1mbh h TRP 115 Cb 1.37 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.53 1mbh h TRP 115 CO 0.55 0.00 -0.03 1.03 -3.56 0.00 0.00 178.44 176.44 1mbh h SER 116 N 0.00 0.13 -0.01 -3.49 0.87 -1.94 0.13 113.55 109.23 1mbh h SER 116 Ca 0.00 -0.40 -0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1mbh h SER 116 Cb 0.25 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1mbh h SER 116 CO 0.00 0.50 0.01 0.58 -0.53 0.00 0.00 176.83 177.39 1mbh h VAL 117 N -0.24 1.09 -0.61 2.23 2.07 -1.77 -0.72 116.25 118.30 1mbh h VAL 117 Ca 0.01 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1mbh h VAL 117 Cb 0.45 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1mbh h VAL 117 CO 0.01 0.07 0.39 0.40 0.02 0.00 0.00 177.57 178.46 1mbh h ILE 118 N -0.10 1.12 -0.67 4.57 2.04 -1.46 -2.57 117.51 120.45 1mbh h ILE 118 Ca 0.00 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1mbh h ILE 118 Cb 0.11 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1mbh h ILE 118 CO -0.00 0.14 0.29 0.00 0.00 0.00 0.00 178.15 178.58 1mbh h ALA 119 N 1.24 0.86 -0.29 1.87 0.00 -0.56 -0.21 119.26 122.17 1mbh h ALA 119 Ca 0.23 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1mbh h ALA 119 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1mbh h ALA 119 CO -0.07 0.46 0.21 0.87 0.00 0.00 0.00 179.25 180.72 1mbh h LYS 120 N 0.94 0.00 0.19 0.00 1.57 -0.73 -1.37 116.57 117.17 1mbh h LYS 120 Ca 0.23 -0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.66 1mbh h LYS 120 Cb 0.17 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1mbh h LYS 120 CO -0.02 0.00 -1.67 0.45 -0.57 0.00 0.00 179.45 177.63 1mbh h HIS 121 N 0.00 0.75 -0.70 -1.35 3.86 -1.20 -3.37 115.15 113.14 1mbh h HIS 121 Ca 0.14 -0.54 -0.73 0.00 -1.16 0.00 0.00 60.37 58.07 1mbh h HIS 121 Cb 0.56 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 28.90 1mbh h HIS 121 CO -0.00 1.65 2.65 1.28 0.86 0.00 0.00 177.93 184.37 1mbh n LEU 122 N -3.65 7.02 -4.55 2.43 4.77 -0.15 -4.93 117.00 117.94 1mbh n LEU 122 Ca -0.23 -4.44 -0.25 0.00 -0.03 0.00 0.00 56.01 51.06 1mbh n LEU 122 Cb 1.06 -1.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.55 1mbh n LEU 122 CO 0.52 1.38 1.64 0.29 -1.33 0.00 0.00 177.39 179.89 1mbh n LYS 123 N 4.57 0.78 0.00 3.23 5.02 -1.21 -1.50 118.16 129.04 1mbh n LYS 123 Ca 0.49 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1mbh n LYS 123 Cb 0.35 -3.51 0.00 0.00 -0.02 0.00 0.00 35.03 31.85 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 6.40 2.62 3.48 0.72 0.00 -1.26 -4.98 105.19 112.17 1mbh n GLY 124 Ca 0.43 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 3.30 0.23 1.61 1.81 -0.56 -0.70 118.95 124.64 1mbh s ARG 125 Ca 0.00 -0.59 -0.02 0.00 -1.72 0.00 0.00 55.73 53.41 1mbh s ARG 125 Cb 0.00 -2.72 0.05 0.00 -0.45 0.00 0.00 34.95 31.83 1mbh s ARG 125 CO 0.00 0.36 0.32 0.44 -0.68 0.00 0.00 175.30 175.74 1mbh n ILE 126 N 3.14 0.00 -1.29 1.52 -5.35 -1.26 -4.61 119.36 111.51 1mbh n ILE 126 Ca -0.18 -0.40 -0.37 0.00 -0.27 0.00 0.00 62.75 61.53 1mbh n ILE 126 Cb 0.53 -1.44 -0.02 0.00 -1.74 0.00 0.00 39.64 36.96 1mbh n ILE 126 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mbh n GLY 127 N 2.69 3.96 2.17 3.28 0.00 -1.26 -3.53 105.19 112.48 1mbh n GLY 127 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1mbh n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mbh n LYS 128 N 4.53 0.00 -0.09 1.61 0.00 -1.26 -4.84 118.16 118.11 1mbh n LYS 128 Ca 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.88 1mbh n LYS 128 Cb 0.26 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.39 1mbh n LYS 128 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1mbh h GLN 129 N 0.00 0.78 -0.30 1.64 7.50 -1.94 -2.10 115.11 120.70 1mbh h GLN 129 Ca 0.00 -0.29 -0.00 0.00 0.50 0.00 0.00 58.65 58.86 1mbh h GLN 129 Cb 0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 1mbh h GLN 129 CO 0.00 0.90 0.18 0.00 -1.50 0.00 0.00 178.83 178.41 1mbh h ARG 131 N 0.38 -0.15 0.11 0.00 1.12 -1.80 -2.64 114.38 111.41 1mbh h ARG 131 Ca 0.11 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.98 1mbh h ARG 131 Cb 0.02 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.01 1mbh h ARG 131 CO -0.02 -0.10 -0.05 0.93 -3.11 0.00 0.00 179.97 177.62 1mbh h GLU 132 N -0.15 -0.14 -1.10 0.20 5.08 -1.21 0.08 114.58 117.33 1mbh h GLU 132 Ca 0.02 0.01 0.32 0.00 -1.00 0.00 0.00 59.36 58.71 1mbh h GLU 132 Cb 0.17 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.34 1mbh h GLU 132 CO -0.06 0.01 0.68 -0.09 -1.00 0.00 0.00 179.01 178.56 1mbh h ARG 133 N -0.28 0.31 0.06 2.33 9.65 -0.77 -1.77 114.38 123.91 1mbh h ARG 133 Ca -0.02 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1mbh h ARG 133 Cb 0.22 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1mbh h ARG 133 CO 0.03 0.20 -0.03 2.35 2.80 0.00 0.00 179.97 185.32 1mbh h TRP 134 N 0.32 -0.08 -0.12 2.20 2.91 -1.08 -3.27 115.95 116.84 1mbh h TRP 134 Ca 0.69 -0.00 -0.17 0.00 1.13 0.00 0.00 58.89 60.54 1mbh h TRP 134 Cb 1.79 0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 30.41 1mbh h TRP 134 CO -0.01 0.15 -0.18 0.72 -1.03 0.00 0.00 178.44 178.10 1mbh n HIS 135 N -4.80 0.21 0.00 2.65 8.25 -0.02 -3.66 115.22 117.84 1mbh n HIS 135 Ca -0.03 -1.42 0.00 0.00 -0.26 0.00 0.00 57.72 56.01 1mbh n HIS 135 Cb 0.13 -1.25 0.00 0.00 1.12 0.00 0.00 29.99 29.99 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 1.98 0.00 0.00 0.41 3.02 -0.97 -4.90 115.26 114.80 1mbh n ASN 136 Ca 0.31 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1mbh n ASN 136 Cb 0.76 0.17 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 -1.78 0.00 -4.78 3.10 8.25 -1.23 -4.90 115.22 113.88 1mbh n HIS 137 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1mbh n HIS 137 Cb 0.00 -0.45 -0.17 0.00 1.12 0.00 0.00 29.99 30.50 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1mbh s LEU 138 N -3.68 1.80 -0.30 2.41 2.34 -1.25 -5.04 118.68 114.95 1mbh s LEU 138 Ca 0.00 -0.37 0.15 0.00 0.06 0.00 0.00 54.13 53.97 1mbh s LEU 138 Cb 0.00 -0.99 0.48 0.00 -0.56 0.00 0.00 46.19 45.11 1mbh s LEU 138 CO 0.00 0.08 1.10 -3.20 -1.06 0.00 0.00 176.35 173.27 1mbh n ASN 139 N 3.64 2.85 -4.57 1.48 5.15 -1.24 -4.36 115.26 118.20 1mbh n ASN 139 Ca -0.21 -2.83 -0.31 0.00 -0.60 0.00 0.00 54.58 50.63 1mbh n ASN 139 Cb 0.52 -0.45 -0.05 0.00 -0.53 0.00 0.00 39.78 39.28 1mbh n ASN 139 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1mbh s PRO 140 N -3.59 2.82 0.00 1.20 0.04 -1.26 -5.10 135.00 129.11 1mbh s PRO 140 Ca 0.36 -1.01 0.31 0.00 0.04 0.00 0.00 61.00 60.71 1mbh s PRO 140 Cb 0.38 -5.24 1.88 0.00 0.04 0.00 0.00 34.50 31.56 1mbh s PRO 140 CO -0.02 -3.40 2.20 0.39 0.04 0.00 0.00 177.00 176.21