#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 -1.15 -2.15 1.96 2.08 -1.26 -4.85 119.36 113.99 1mbh n ILE 91 Ca 0.00 0.76 -0.41 0.00 0.56 0.00 0.00 62.75 63.67 1mbh n ILE 91 Cb 0.00 -1.21 -0.02 0.00 -0.75 0.00 0.00 39.64 37.66 1mbh n ILE 91 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1mbh s LYS 92 N -4.30 4.36 0.82 0.38 -2.85 -1.26 -5.03 119.74 111.85 1mbh s LYS 92 Ca 0.00 2.17 -0.05 0.00 -1.00 0.00 0.00 55.97 57.09 1mbh s LYS 92 Cb 0.00 -3.06 0.17 0.00 -2.06 0.00 0.00 37.83 32.88 1mbh s LYS 92 CO 0.00 -0.16 1.12 0.20 0.10 0.00 0.00 175.35 176.61 1mbh s GLY 93 N -0.55 1.77 -0.59 0.59 0.00 -1.26 -4.95 107.32 102.33 1mbh s GLY 93 Ca 0.49 -1.72 -0.26 0.00 0.00 0.00 0.00 44.72 43.23 1mbh s GLY 93 CO 0.51 -1.03 2.12 2.56 0.00 0.00 0.00 173.10 177.26 1mbh s PRO 94 N -5.41 2.35 0.19 2.90 0.04 -1.26 -4.90 135.00 128.90 1mbh s PRO 94 Ca 0.71 0.86 -0.33 0.00 0.04 0.00 0.00 61.00 62.28 1mbh s PRO 94 Cb -0.03 -4.53 -0.14 0.00 0.04 0.00 0.00 34.50 29.83 1mbh s PRO 94 CO 0.48 -3.10 1.47 0.91 0.04 0.00 0.00 177.00 176.80 1mbh n TRP 95 N 14.45 2.12 -2.58 0.56 7.02 -1.26 -4.95 117.44 132.79 1mbh n TRP 95 Ca 0.30 0.39 -0.32 0.00 -1.02 0.00 0.00 57.50 56.85 1mbh n TRP 95 Cb 0.52 -2.48 -0.04 0.00 -2.42 0.00 0.00 31.31 26.90 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 0.44 4.61 0.27 -0.99 -4.23 -1.26 -4.90 115.64 109.59 1mbh s THR 96 Ca 0.75 1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 62.27 1mbh s THR 96 Cb -0.70 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 69.70 1mbh s THR 96 CO 0.44 -0.60 1.86 0.11 -0.54 0.00 0.00 174.62 175.89 1mbh h LYS 97 N 1.11 1.07 -0.16 3.99 6.56 -1.99 -0.10 116.57 127.06 1mbh h LYS 97 Ca -0.47 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.04 1mbh h LYS 97 Cb 1.18 -0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 32.60 1mbh h LYS 97 CO 0.62 0.71 0.04 1.49 -2.06 0.00 0.00 179.45 180.26 1mbh h GLU 98 N 1.11 0.25 -0.58 3.15 4.81 -1.98 0.49 114.58 121.83 1mbh h GLU 98 Ca 0.45 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.67 1mbh h GLU 98 Cb 0.27 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1mbh h GLU 98 CO -0.20 0.38 0.32 1.49 -0.73 0.00 0.00 179.01 180.27 1mbh h GLU 99 N 0.06 0.60 -0.37 1.92 4.81 -1.72 -0.22 114.58 119.66 1mbh h GLU 99 Ca 0.05 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1mbh h GLU 99 Cb 0.25 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1mbh h GLU 99 CO -0.00 0.39 0.13 -0.44 -0.73 0.00 0.00 179.01 178.37 1mbh h ASP 100 N 0.61 0.52 -0.96 1.04 3.32 -0.90 -2.70 116.42 117.36 1mbh h ASP 100 Ca 0.25 -0.18 0.09 0.00 0.02 0.00 0.00 57.03 57.21 1mbh h ASP 100 Cb 0.11 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.46 1mbh h ASP 100 CO -0.15 0.57 0.62 -0.61 -1.72 0.00 0.00 179.24 177.95 1mbh h GLN 101 N 0.45 1.00 0.16 3.56 -0.00 -0.12 -0.86 115.11 119.29 1mbh h GLN 101 Ca 0.12 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1mbh h GLN 101 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 1mbh h GLN 101 CO -0.01 0.66 -0.12 0.00 0.00 0.00 0.00 178.83 179.36 1mbh h ARG 102 N 1.03 -0.27 -0.25 1.69 2.47 -0.75 -0.59 114.38 117.71 1mbh h ARG 102 Ca 0.44 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 59.21 1mbh h ARG 102 Cb 0.34 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 1mbh h ARG 102 CO -0.20 -0.18 0.06 0.28 0.56 0.00 0.00 179.97 180.49 1mbh h VAL 103 N -0.28 0.91 -0.12 2.04 2.07 -1.13 0.95 116.25 120.67 1mbh h VAL 103 Ca -0.01 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1mbh h VAL 103 Cb 0.25 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1mbh h VAL 103 CO -0.00 0.03 -0.30 0.40 0.02 0.00 0.00 177.57 177.71 1mbh h ILE 104 N 0.16 0.31 0.23 4.57 2.04 -0.96 0.79 117.51 124.66 1mbh h ILE 104 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1mbh h ILE 104 Cb 0.10 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1mbh h ILE 104 CO -0.13 0.00 -0.11 -0.08 0.00 0.00 0.00 178.15 177.83 1mbh h GLU 105 N -0.38 -0.30 -0.91 2.37 4.81 -0.79 -0.97 114.58 118.41 1mbh h GLU 105 Ca 0.10 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1mbh h GLU 105 Cb 0.53 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 1mbh h GLU 105 CO -0.34 -0.15 0.60 -0.07 -0.73 0.00 0.00 179.01 178.32 1mbh h LEU 106 N -0.38 1.01 -0.25 1.64 3.38 -0.58 0.16 115.31 120.30 1mbh h LEU 106 Ca -0.03 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 1mbh h LEU 106 Cb 0.29 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1mbh h LEU 106 CO 0.05 0.72 -0.41 0.58 0.09 0.00 0.00 178.44 179.47 1mbh h VAL 107 N 1.19 1.30 -0.19 1.22 2.07 -0.74 0.88 116.25 121.98 1mbh h VAL 107 Ca 0.35 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 1mbh h VAL 107 Cb -0.07 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1mbh h VAL 107 CO -0.09 0.51 -0.09 -0.61 0.02 0.00 0.00 177.57 177.32 1mbh h GLN 108 N 0.45 0.29 0.12 1.57 4.15 -0.58 0.34 115.11 121.46 1mbh h GLN 108 Ca 0.02 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1mbh h GLN 108 Cb 1.00 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1mbh h GLN 108 CO 0.09 0.39 -0.06 -0.22 -1.93 0.00 0.00 178.83 177.11 1mbh h LYS 109 N 0.28 -0.16 0.00 1.69 3.64 -0.50 -3.42 116.57 118.10 1mbh h LYS 109 Ca 0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1mbh h LYS 109 Cb 0.33 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1mbh h LYS 109 CO 0.02 0.24 -0.01 1.88 -2.27 0.00 0.00 179.45 179.31 1mbh h TYR 110 N -0.95 0.00 0.00 1.91 0.05 -0.80 -3.51 116.97 113.67 1mbh h TYR 110 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1mbh h TYR 110 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1mbh h TYR 110 CO 0.09 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.61 1mbh n GLY 111 N 1.85 0.90 3.53 3.88 0.00 0.12 -5.03 105.19 110.44 1mbh n GLY 111 Ca -0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 1mbh n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mbh n PRO 112 N -1.59 -1.68 0.00 1.61 -0.04 -1.26 -4.63 135.00 127.41 1mbh n PRO 112 Ca 0.00 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1mbh n PRO 112 Cb 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1mbh n PRO 112 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mbh n LYS 113 N -4.48 0.00 -3.97 0.54 5.02 -1.26 -4.90 118.16 109.12 1mbh n LYS 113 Ca 0.06 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.04 1mbh n LYS 113 Cb 0.54 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.56 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 0.87 -5.19 0.29 1.97 1.74 -1.26 -4.83 116.66 110.24 1mbh n ARG 114 Ca 0.00 0.56 0.17 0.00 -0.77 0.00 0.00 57.85 57.81 1mbh n ARG 114 Cb 0.00 -5.44 0.84 0.00 -1.02 0.00 0.00 32.46 26.84 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 -2.01 0.00 -0.47 -1.55 4.06 -1.93 -1.67 115.95 112.38 1mbh h TRP 115 Ca -0.58 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.29 1mbh h TRP 115 Cb 1.38 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.52 1mbh h TRP 115 CO 0.58 0.05 -0.02 0.77 -3.56 0.00 0.00 178.44 176.27 1mbh h SER 116 N 0.00 0.76 0.00 -3.49 0.02 -1.89 0.93 113.55 109.88 1mbh h SER 116 Ca -0.00 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1mbh h SER 116 Cb 0.32 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1mbh h SER 116 CO 0.01 0.84 -0.16 0.58 -1.14 0.00 0.00 176.83 176.95 1mbh h VAL 117 N 0.73 1.59 -0.73 2.27 2.07 -1.69 -2.58 116.25 117.91 1mbh h VAL 117 Ca 0.14 -1.95 0.05 0.00 0.82 0.00 0.00 66.70 65.76 1mbh h VAL 117 Cb 0.47 2.86 -0.05 0.00 -1.52 0.00 0.00 31.29 33.05 1mbh h VAL 117 CO 0.02 0.52 0.43 0.40 0.02 0.00 0.00 177.57 178.97 1mbh h ILE 118 N -0.63 1.03 -0.50 4.57 2.04 -1.38 -1.68 117.51 120.95 1mbh h ILE 118 Ca -0.02 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1mbh h ILE 118 Cb 0.94 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1mbh h ILE 118 CO 0.03 0.15 0.06 0.00 0.00 0.00 0.00 178.15 178.39 1mbh h ALA 119 N 1.35 1.18 -0.37 1.87 0.00 -0.88 -0.83 119.26 121.57 1mbh h ALA 119 Ca 0.31 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1mbh h ALA 119 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1mbh h ALA 119 CO -0.16 0.55 0.26 -0.22 0.00 0.00 0.00 179.25 179.68 1mbh h LYS 120 N 0.75 0.06 0.08 0.00 3.64 -0.88 -2.18 116.57 118.05 1mbh h LYS 120 Ca 0.16 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.27 1mbh h LYS 120 Cb 0.36 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1mbh h LYS 120 CO 0.01 0.04 -1.37 0.45 -2.27 0.00 0.00 179.45 176.31 1mbh h HIS 121 N 0.06 0.32 -0.24 1.91 3.86 -1.27 -3.39 115.15 116.41 1mbh h HIS 121 Ca 0.18 -0.24 -0.70 0.00 -1.16 0.00 0.00 60.37 58.45 1mbh h HIS 121 Cb 0.62 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.02 1mbh h HIS 121 CO -0.00 1.54 2.88 1.28 0.86 0.00 0.00 177.93 184.49 1mbh n LEU 122 N -4.02 6.34 -4.56 2.43 4.77 -0.37 -4.90 117.00 116.69 1mbh n LEU 122 Ca -0.27 -4.08 -0.20 0.00 -0.03 0.00 0.00 56.01 51.43 1mbh n LEU 122 Cb 0.85 -1.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.19 1mbh n LEU 122 CO 0.36 0.85 1.28 -0.54 -1.33 0.00 0.00 177.39 178.00 1mbh s LYS 123 N 3.47 2.02 0.00 3.23 1.02 -1.23 -1.46 119.74 126.80 1mbh s LYS 123 Ca 0.49 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.44 1mbh s LYS 123 Cb 0.11 -4.95 0.00 0.00 -0.52 0.00 0.00 37.83 32.47 1mbh s LYS 123 CO -0.04 -4.08 0.00 0.41 -0.92 0.00 0.00 175.35 170.72 1mbh n GLY 124 N 6.70 1.54 3.23 -3.33 0.00 -1.26 -5.09 105.19 106.97 1mbh n GLY 124 Ca 0.43 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 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 2.49 1.21 1.61 1.81 -0.53 -5.10 118.95 120.44 1mbh s ARG 125 Ca 0.00 -1.30 -0.17 0.00 -1.72 0.00 0.00 55.73 52.54 1mbh s ARG 125 Cb 0.00 -3.41 0.29 0.00 -0.45 0.00 0.00 34.95 31.38 1mbh s ARG 125 CO 0.00 -0.72 1.04 0.96 -0.68 0.00 0.00 175.30 175.90 1mbh s ILE 126 N 1.33 1.68 -1.07 1.52 -4.36 -1.26 -4.52 121.20 114.52 1mbh s ILE 126 Ca -0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 60.65 60.21 1mbh s ILE 126 Cb -0.20 -2.28 -0.08 0.00 1.25 0.00 0.00 42.46 41.15 1mbh s ILE 126 CO 0.01 0.00 2.12 0.61 0.24 0.00 0.00 174.94 177.92 1mbh n GLY 127 N 0.02 3.35 1.01 6.27 0.00 -1.26 -2.67 105.19 111.91 1mbh n GLY 127 Ca 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 6.08 0.00 -0.29 1.61 3.00 -1.26 -4.87 118.16 122.43 1mbh n LYS 128 Ca 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.77 1mbh n LYS 128 Cb 0.35 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.44 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 1.14 -0.45 1.64 1.08 -1.84 0.45 115.11 117.13 1mbh h GLN 129 Ca 0.00 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 56.99 1mbh h GLN 129 Cb 0.00 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 1mbh h GLN 129 CO 0.00 0.89 0.15 0.00 -0.95 0.00 0.00 178.83 178.92 1mbh h ARG 131 N 0.59 1.27 -0.41 0.00 1.12 -1.76 -0.64 114.38 114.54 1mbh h ARG 131 Ca 0.15 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 1mbh h ARG 131 Cb 0.24 -0.26 0.00 0.00 -0.01 0.00 0.00 29.97 29.94 1mbh h ARG 131 CO -0.01 0.90 0.00 -1.91 -3.11 0.00 0.00 179.97 175.84 1mbh n GLU 132 N -4.34 1.47 -0.07 0.20 2.13 0.11 -1.90 120.64 118.24 1mbh n GLU 132 Ca 0.10 -0.54 -0.11 0.00 0.66 0.00 0.00 57.16 57.27 1mbh n GLU 132 Cb 0.07 -1.30 -0.05 0.00 0.27 0.00 0.00 31.44 30.43 1mbh n GLU 132 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1mbh n ARG 133 N -0.01 0.30 0.15 5.31 3.00 -0.38 -4.59 116.66 120.44 1mbh n ARG 133 Ca 0.05 0.10 -0.11 0.00 -0.00 0.00 0.00 57.85 57.88 1mbh n ARG 133 Cb 0.23 -1.13 -0.07 0.00 0.00 0.00 0.00 32.46 31.49 1mbh n ARG 133 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 1mbh h TRP 134 N -0.21 -0.41 -0.03 -0.14 2.91 -1.15 -3.11 115.95 113.80 1mbh h TRP 134 Ca -0.31 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.68 1mbh h TRP 134 Cb 1.38 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 30.15 1mbh h TRP 134 CO -0.01 -0.08 0.02 0.72 -1.03 0.00 0.00 178.44 178.06 1mbh n HIS 135 N -5.10 0.11 0.06 2.65 8.25 -0.80 -3.82 115.22 116.57 1mbh n HIS 135 Ca -0.09 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1mbh n HIS 135 Cb 0.26 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 0.55 0.61 0.00 0.41 5.03 -1.22 -4.99 115.26 115.65 1mbh n ASN 136 Ca 0.02 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.65 1mbh n ASN 136 Cb 0.54 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 1mbh n ASN 136 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1mbh n HIS 137 N -3.26 0.00 -3.89 3.10 8.25 -1.18 -5.04 115.22 113.21 1mbh n HIS 137 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1mbh n HIS 137 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.45 4.16 -0.45 2.41 2.34 -1.26 -5.02 118.68 118.42 1mbh s LEU 138 Ca 0.00 0.29 0.07 0.00 0.06 0.00 0.00 54.13 54.55 1mbh s LEU 138 Cb 0.00 -2.04 0.30 0.00 -0.56 0.00 0.00 46.19 43.89 1mbh s LEU 138 CO 0.00 0.28 0.93 -3.20 -1.06 0.00 0.00 176.35 173.30 1mbh n ASN 139 N 2.83 -1.72 -0.07 1.48 2.85 -1.26 -4.51 115.26 114.85 1mbh n ASN 139 Ca -0.18 -3.38 -0.12 0.00 -0.11 0.00 0.00 54.58 50.79 1mbh n ASN 139 Cb 0.53 1.23 -0.05 0.00 1.24 0.00 0.00 39.78 42.73 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 3.37 0.38 0.00 1.20 0.13 -1.95 -3.52 132.00 131.62 1mbh h PRO 140 Ca -0.06 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1mbh h PRO 140 Cb 1.04 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1mbh h PRO 140 CO 0.28 0.59 0.00 0.39 -0.23 0.00 0.00 178.00 179.03