#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 3.18 0.76 -0.08 -1.09 -1.26 -5.00 121.20 117.70 1mbh s ILE 91 Ca 0.00 0.51 -0.13 0.00 -2.23 0.00 0.00 60.65 58.80 1mbh s ILE 91 Cb 0.00 -3.02 0.05 0.00 -1.58 0.00 0.00 42.46 37.91 1mbh s ILE 91 CO 0.00 -0.37 1.14 -0.75 -1.23 0.00 0.00 174.94 173.72 1mbh s LYS 92 N -4.25 2.14 0.00 2.79 2.47 -1.26 -5.04 119.74 116.59 1mbh s LYS 92 Ca 0.66 1.45 0.00 0.00 -1.56 0.00 0.00 55.97 56.53 1mbh s LYS 92 Cb -0.20 -1.86 0.00 0.00 -1.46 0.00 0.00 37.83 34.30 1mbh s LYS 92 CO 0.45 -1.77 0.00 0.41 0.16 0.00 0.00 175.35 174.60 1mbh n GLY 93 N -0.34 -2.51 2.19 5.54 0.00 -1.26 -4.77 105.19 104.05 1mbh n GLY 93 Ca 0.11 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.16 1.76 -1.27 1.61 -0.04 -1.26 -4.88 135.00 130.77 1mbh n PRO 94 Ca 0.00 -0.95 0.14 0.00 -0.04 0.00 0.00 63.50 62.65 1mbh n PRO 94 Cb 0.00 -2.02 -0.08 0.00 -0.04 0.00 0.00 33.50 31.36 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 2.87 -3.42 -4.23 0.54 7.02 -1.26 -5.07 117.44 113.89 1mbh n TRP 95 Ca 0.38 1.89 -0.14 0.00 -1.02 0.00 0.00 57.50 58.60 1mbh n TRP 95 Cb 0.60 -3.10 -0.10 0.00 -2.42 0.00 0.00 31.31 26.30 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 -4.23 0.04 0.17 -0.99 -4.23 -1.26 -5.04 115.64 100.11 1mbh s THR 96 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1mbh s THR 96 Cb 0.00 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.39 1mbh s THR 96 CO 0.00 0.00 1.65 0.50 -0.54 0.00 0.00 174.62 176.23 1mbh h LYS 97 N 2.47 0.98 0.07 3.99 3.64 -1.98 0.56 116.57 126.30 1mbh h LYS 97 Ca -0.33 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1mbh h LYS 97 Cb 1.25 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1mbh h LYS 97 CO 0.49 0.94 -0.04 1.49 -2.27 0.00 0.00 179.45 180.06 1mbh h GLU 98 N 0.87 -0.10 -0.81 1.90 4.57 -2.00 -0.26 114.58 118.76 1mbh h GLU 98 Ca 0.17 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1mbh h GLU 98 Cb 0.45 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 1mbh h GLU 98 CO 0.02 0.00 0.33 1.49 -1.18 0.00 0.00 179.01 179.67 1mbh h GLU 99 N -0.17 1.21 -0.32 1.92 4.81 -1.94 -2.82 114.58 117.26 1mbh h GLU 99 Ca -0.01 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1mbh h GLU 99 Cb 0.14 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1mbh h GLU 99 CO 0.02 0.97 0.18 -0.44 -0.73 0.00 0.00 179.01 179.00 1mbh h ASP 100 N 1.18 0.40 -0.75 1.04 5.19 -0.66 -2.83 116.42 119.99 1mbh h ASP 100 Ca 0.27 -0.08 0.16 0.00 -0.62 0.00 0.00 57.03 56.76 1mbh h ASP 100 Cb 0.21 -0.10 -0.10 0.00 0.18 0.00 0.00 39.33 39.51 1mbh h ASP 100 CO -0.02 0.37 0.24 -0.61 -3.12 0.00 0.00 179.24 176.10 1mbh h GLN 101 N 0.40 0.34 0.09 3.56 -0.00 -0.79 0.09 115.11 118.79 1mbh h GLN 101 Ca 0.11 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.75 1mbh h GLN 101 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.44 1mbh h GLN 101 CO -0.02 0.22 -0.13 0.00 0.00 0.00 0.00 178.83 178.91 1mbh h ARG 102 N 0.35 -0.26 -0.05 1.69 3.08 -1.40 -0.47 114.38 117.32 1mbh h ARG 102 Ca 0.43 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.50 1mbh h ARG 102 Cb 0.70 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1mbh h ARG 102 CO -0.47 -0.17 -0.02 0.28 -1.07 0.00 0.00 179.97 178.53 1mbh h VAL 103 N -0.27 0.93 -0.30 2.04 2.07 -1.15 0.50 116.25 120.07 1mbh h VAL 103 Ca 0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1mbh h VAL 103 Cb 0.27 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1mbh h VAL 103 CO -0.06 0.00 -0.24 0.40 0.02 0.00 0.00 177.57 177.69 1mbh h ILE 104 N -0.01 0.38 -0.14 4.57 2.04 -0.79 0.19 117.51 123.76 1mbh h ILE 104 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1mbh h ILE 104 Cb 0.05 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1mbh h ILE 104 CO -0.06 0.00 0.08 -0.08 0.00 0.00 0.00 178.15 178.09 1mbh h GLU 105 N -0.22 0.16 -0.92 2.37 4.81 -0.81 -1.77 114.58 118.20 1mbh h GLU 105 Ca 0.16 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1mbh h GLU 105 Cb 0.46 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 1mbh h GLU 105 CO -0.43 0.11 0.61 -0.07 -0.73 0.00 0.00 179.01 178.50 1mbh h LEU 106 N 0.17 1.04 -0.19 1.64 3.38 -0.08 0.18 115.31 121.45 1mbh h LEU 106 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1mbh h LEU 106 Cb -0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1mbh h LEU 106 CO -0.03 0.74 -0.01 0.58 0.09 0.00 0.00 178.44 179.81 1mbh h VAL 107 N 1.22 1.26 -0.44 1.22 2.07 -0.36 0.74 116.25 121.96 1mbh h VAL 107 Ca 0.35 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1mbh h VAL 107 Cb -0.09 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1mbh h VAL 107 CO -0.09 0.28 0.13 -0.61 0.02 0.00 0.00 177.57 177.30 1mbh h GLN 108 N 0.09 0.65 0.07 1.57 4.15 -0.89 0.19 115.11 120.94 1mbh h GLN 108 Ca 0.05 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1mbh h GLN 108 Cb 0.42 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1mbh h GLN 108 CO 0.01 0.58 -0.03 -0.22 -1.93 0.00 0.00 178.83 177.24 1mbh h LYS 109 N 0.64 -0.09 0.00 1.69 3.64 -0.38 -3.43 116.57 118.64 1mbh h LYS 109 Ca 0.15 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1mbh h LYS 109 Cb 0.21 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1mbh h LYS 109 CO -0.01 0.38 0.00 0.66 -2.27 0.00 0.00 179.45 178.21 1mbh n TYR 110 N -4.90 0.00 0.00 1.91 4.01 0.23 -5.08 117.16 113.33 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 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 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 2.59 2.68 3.57 2.72 0.00 0.04 -5.02 105.19 111.78 1mbh n GLY 111 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 -1.59 -1.99 1.61 0.04 -1.26 -4.04 135.00 125.77 1mbh s PRO 112 Ca 0.00 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.87 1mbh s PRO 112 Cb 0.00 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1mbh s PRO 112 CO 0.00 -3.94 0.00 1.63 0.04 0.00 0.00 177.00 174.73 1mbh n LYS 113 N -4.90 -1.58 -3.68 4.56 4.76 -1.26 -4.94 118.16 111.12 1mbh n LYS 113 Ca 0.15 1.12 -0.30 0.00 -2.87 0.00 0.00 58.31 56.41 1mbh n LYS 113 Cb 0.60 -5.65 -0.15 0.00 -1.84 0.00 0.00 35.03 28.00 1mbh n LYS 113 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1mbh s ARG 114 N -4.41 0.60 -0.58 1.97 1.81 -1.26 -5.01 118.95 112.08 1mbh s ARG 114 Ca 0.00 -0.98 0.04 0.00 -1.72 0.00 0.00 55.73 53.07 1mbh s ARG 114 Cb 0.00 -1.78 0.37 0.00 -0.45 0.00 0.00 34.95 33.09 1mbh s ARG 114 CO 0.00 -1.01 1.11 0.91 -0.68 0.00 0.00 175.30 175.63 1mbh n TRP 115 N 4.87 3.71 0.07 -0.53 5.03 -1.26 -4.22 117.44 125.12 1mbh n TRP 115 Ca -0.02 -3.53 0.00 0.00 3.03 0.00 0.00 57.50 56.98 1mbh n TRP 115 Cb 0.42 -0.43 0.00 0.00 -1.03 0.00 0.00 31.31 30.26 1mbh n TRP 115 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 1mbh n SER 116 N -0.33 -0.54 0.09 -0.99 7.64 -1.26 -4.20 113.62 114.03 1mbh n SER 116 Ca 0.36 0.26 -0.13 0.00 1.01 0.00 0.00 58.87 60.37 1mbh n SER 116 Cb 0.46 0.65 -0.08 0.00 -1.01 0.00 0.00 64.21 64.23 1mbh n SER 116 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1mbh h VAL 117 N 0.00 0.95 -0.56 0.44 2.07 -2.00 -1.30 116.25 115.86 1mbh h VAL 117 Ca 0.00 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.00 1mbh h VAL 117 Cb 0.00 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1mbh h VAL 117 CO 0.00 0.14 0.24 0.40 0.02 0.00 0.00 177.57 178.36 1mbh h ILE 118 N -0.51 0.85 -0.48 4.57 2.04 -1.91 -2.14 117.51 119.93 1mbh h ILE 118 Ca -0.02 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1mbh h ILE 118 Cb 0.39 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1mbh h ILE 118 CO 0.04 0.08 0.28 0.00 0.00 0.00 0.00 178.15 178.55 1mbh h ALA 119 N 1.35 0.62 0.00 1.87 0.00 -1.79 -1.25 119.26 120.06 1mbh h ALA 119 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1mbh h ALA 119 Cb 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1mbh h ALA 119 CO -0.24 -0.03 -0.02 0.87 0.00 0.00 0.00 179.25 179.83 1mbh h LYS 120 N 0.56 0.00 -0.01 0.00 1.57 -0.59 -0.20 116.57 117.91 1mbh h LYS 120 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1mbh h LYS 120 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1mbh h LYS 120 CO -0.10 0.02 -0.43 0.72 -0.57 0.00 0.00 179.45 179.09 1mbh n HIS 121 N -3.35 0.00 -3.49 -1.35 8.25 -0.52 -4.41 115.22 110.34 1mbh n HIS 121 Ca -0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.17 1mbh n HIS 121 Cb 0.12 -0.10 -0.09 0.00 1.12 0.00 0.00 29.99 31.05 1mbh n HIS 121 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1mbh n LEU 122 N -0.71 3.16 -4.53 2.41 7.94 -0.09 -5.06 117.00 120.12 1mbh n LEU 122 Ca 0.10 -5.30 -0.43 0.00 -1.11 0.00 0.00 56.01 49.27 1mbh n LEU 122 Cb 0.38 -0.53 -0.05 0.00 0.53 0.00 0.00 43.42 43.75 1mbh n LEU 122 CO 0.30 1.99 1.93 0.29 -1.11 0.00 0.00 177.39 180.79 1mbh n LYS 123 N 1.18 1.26 0.00 1.96 5.02 -1.25 -1.08 118.16 125.24 1mbh n LYS 123 Ca 0.27 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1mbh n LYS 123 Cb 0.41 -2.96 0.00 0.00 -0.02 0.00 0.00 35.03 32.46 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 6.12 1.29 3.13 0.72 0.00 -1.26 -5.09 105.19 110.10 1mbh n GLY 124 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 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 2.50 0.66 1.61 1.81 -0.24 -4.75 118.95 120.54 1mbh s ARG 125 Ca 0.00 -1.19 -0.11 0.00 -1.72 0.00 0.00 55.73 52.70 1mbh s ARG 125 Cb 0.00 -2.96 0.16 0.00 -0.45 0.00 0.00 34.95 31.70 1mbh s ARG 125 CO 0.00 -0.51 0.80 0.44 -0.68 0.00 0.00 175.30 175.35 1mbh n ILE 126 N 4.55 0.00 -1.12 1.52 -5.35 -1.26 -4.61 119.36 113.09 1mbh n ILE 126 Ca -0.15 -0.53 -0.33 0.00 -0.27 0.00 0.00 62.75 61.47 1mbh n ILE 126 Cb 0.44 -1.54 -0.02 0.00 -1.74 0.00 0.00 39.64 36.78 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 -0.93 3.81 1.50 3.28 0.00 -1.26 -3.10 105.19 108.49 1mbh n GLY 127 Ca 0.10 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 4.01 0.00 0.07 1.61 4.81 -1.26 -4.86 118.16 122.54 1mbh n LYS 128 Ca 0.65 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.96 1mbh n LYS 128 Cb 0.21 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.17 1mbh n LYS 128 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1mbh h GLN 129 N 0.00 -0.16 -0.25 1.64 4.20 -1.89 0.36 115.11 119.01 1mbh h GLN 129 Ca 0.00 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.78 1mbh h GLN 129 Cb 0.00 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 1mbh h GLN 129 CO 0.00 0.13 -0.18 0.00 -0.67 0.00 0.00 178.83 178.11 1mbh h ARG 131 N -0.17 0.16 0.36 0.00 2.43 -1.81 -1.91 114.38 113.45 1mbh h ARG 131 Ca 0.14 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1mbh h ARG 131 Cb 0.38 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1mbh h ARG 131 CO -0.35 0.11 -0.28 1.49 -1.51 0.00 0.00 179.97 179.43 1mbh h GLU 132 N 0.16 -0.60 -0.91 0.20 4.81 -0.25 0.15 114.58 118.15 1mbh h GLU 132 Ca 0.18 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.66 1mbh h GLU 132 Cb 0.22 0.14 -0.17 0.00 0.63 0.00 0.00 28.75 29.56 1mbh h GLU 132 CO -0.25 -0.40 -0.06 -0.09 -0.73 0.00 0.00 179.01 177.48 1mbh h ARG 133 N -0.62 0.03 0.12 1.92 9.65 -0.98 -1.51 114.38 122.99 1mbh h ARG 133 Ca -0.05 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1mbh h ARG 133 Cb 0.52 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1mbh h ARG 133 CO 0.01 0.02 -0.06 2.35 2.80 0.00 0.00 179.97 185.09 1mbh h TRP 134 N 0.03 -0.15 0.00 2.20 2.91 -1.15 -2.70 115.95 117.10 1mbh h TRP 134 Ca 0.50 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.52 1mbh h TRP 134 Cb 0.92 0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.62 1mbh h TRP 134 CO -0.55 0.31 0.00 0.72 -1.03 0.00 0.00 178.44 177.89 1mbh n HIS 135 N -4.93 0.00 0.00 2.65 8.25 0.52 -3.30 115.22 118.41 1mbh n HIS 135 Ca -0.08 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 56.99 1mbh n HIS 135 Cb 0.26 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 0.40 0.00 -2.84 0.41 3.02 -0.68 -4.96 115.26 110.61 1mbh n ASN 136 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1mbh n ASN 136 Cb 0.44 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.63 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 -2.50 0.14 -3.12 3.10 1.44 -1.03 -5.01 115.22 108.25 1mbh n HIS 137 Ca 0.00 -2.97 0.02 0.00 -2.01 0.00 0.00 57.72 52.77 1mbh n HIS 137 Cb 0.00 -0.02 -0.00 0.00 0.12 0.00 0.00 29.99 30.09 1mbh n HIS 137 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1mbh s LEU 138 N -2.85 -1.25 -0.45 2.39 2.96 -1.16 -4.94 118.68 113.38 1mbh s LEU 138 Ca 0.30 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.97 1mbh s LEU 138 Cb 0.41 1.66 0.26 0.00 0.50 0.00 0.00 46.19 49.03 1mbh s LEU 138 CO -0.02 -0.18 0.83 -3.20 -1.32 0.00 0.00 176.35 172.47 1mbh n ASN 139 N 4.66 -1.81 -3.17 3.68 5.15 -1.26 -4.43 115.26 118.08 1mbh n ASN 139 Ca 0.08 -3.21 0.00 0.00 -0.60 0.00 0.00 54.58 50.85 1mbh n ASN 139 Cb 0.57 1.09 0.00 0.00 -0.53 0.00 0.00 39.78 40.92 1mbh n ASN 139 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1mbh n PRO 140 N 1.26 2.80 -0.45 1.20 -0.04 -1.26 -5.22 135.00 133.29 1mbh n PRO 140 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1mbh n PRO 140 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85