#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 1.60 -2.16 -0.08 2.08 -1.26 -4.85 119.36 114.69 1mbh n ILE 91 Ca 0.00 -0.40 -0.43 0.00 0.56 0.00 0.00 62.75 62.48 1mbh n ILE 91 Cb 0.00 -1.41 0.00 0.00 -0.75 0.00 0.00 39.64 37.48 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 1.13 3.06 -1.42 0.38 4.81 -1.26 -4.96 118.16 119.89 1mbh n LYS 92 Ca 0.08 -2.99 -0.30 0.00 -0.87 0.00 0.00 58.31 54.24 1mbh n LYS 92 Cb 0.33 -3.34 0.21 0.00 0.02 0.00 0.00 35.03 32.25 1mbh n LYS 92 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mbh s GLY 93 N 3.43 1.65 0.00 3.14 0.00 -1.26 -4.89 107.32 109.39 1mbh s GLY 93 Ca 0.49 -0.97 0.10 0.00 0.00 0.00 0.00 44.72 44.33 1mbh s GLY 93 CO -0.01 -0.17 1.06 -1.55 0.00 0.00 0.00 173.10 172.42 1mbh n PRO 94 N -4.30 0.57 -1.33 2.90 -0.04 -1.26 -4.98 135.00 126.56 1mbh n PRO 94 Ca 0.13 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.77 1mbh n PRO 94 Cb 0.59 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.77 -3.37 -4.09 0.54 7.02 -1.26 -4.98 117.44 110.54 1mbh n TRP 95 Ca 0.07 1.70 -0.11 0.00 -1.02 0.00 0.00 57.50 58.14 1mbh n TRP 95 Cb 0.03 -3.06 -0.11 0.00 -2.42 0.00 0.00 31.31 25.76 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 -2.40 0.52 0.27 -0.99 -4.23 -1.26 -5.05 115.64 102.51 1mbh s THR 96 Ca 0.00 -1.36 -0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1mbh s THR 96 Cb 0.00 -0.95 0.27 0.00 1.34 0.00 0.00 72.50 73.16 1mbh s THR 96 CO 0.00 -0.58 1.87 0.50 -0.54 0.00 0.00 174.62 175.87 1mbh h LYS 97 N 3.97 1.10 -0.27 3.99 3.64 -1.99 0.45 116.57 127.46 1mbh h LYS 97 Ca -0.35 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 58.90 1mbh h LYS 97 Cb 1.19 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1mbh h LYS 97 CO 0.49 0.73 -0.06 1.49 -2.27 0.00 0.00 179.45 179.83 1mbh h GLU 98 N 1.13 0.52 -0.71 1.90 4.81 -1.98 0.68 114.58 120.94 1mbh h GLU 98 Ca 0.44 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1mbh h GLU 98 Cb 0.23 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1mbh h GLU 98 CO -0.19 0.73 0.40 1.49 -0.73 0.00 0.00 179.01 180.71 1mbh h GLU 99 N 0.27 0.97 -0.55 1.92 4.81 -1.82 -1.41 114.58 118.78 1mbh h GLU 99 Ca 0.07 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1mbh h GLU 99 Cb 0.54 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1mbh h GLU 99 CO 0.03 0.71 0.15 -0.44 -0.73 0.00 0.00 179.01 178.73 1mbh h ASP 100 N 0.97 0.81 -0.81 1.04 3.32 -0.79 -2.57 116.42 118.38 1mbh h ASP 100 Ca 0.25 -0.22 0.08 0.00 0.02 0.00 0.00 57.03 57.17 1mbh h ASP 100 Cb 0.01 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.27 1mbh h ASP 100 CO -0.04 0.82 0.47 -0.61 -1.72 0.00 0.00 179.24 178.16 1mbh h GLN 101 N 0.77 0.79 0.40 3.56 5.75 -0.23 0.18 115.11 126.32 1mbh h GLN 101 Ca 0.17 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1mbh h GLN 101 Cb 0.31 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 1mbh h GLN 101 CO -0.00 0.52 -0.26 0.00 -2.65 0.00 0.00 178.83 176.44 1mbh h ARG 102 N 0.81 -0.61 -0.66 1.69 3.08 -0.97 -1.87 114.38 115.86 1mbh h ARG 102 Ca 0.38 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.57 1mbh h ARG 102 Cb 0.31 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 1mbh h ARG 102 CO -0.23 -0.41 0.29 0.28 -1.07 0.00 0.00 179.97 178.84 1mbh h VAL 103 N -0.63 0.79 0.21 2.04 2.07 -0.99 0.69 116.25 120.43 1mbh h VAL 103 Ca -0.04 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1mbh h VAL 103 Cb 0.53 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1mbh h VAL 103 CO 0.03 0.09 -0.32 0.40 0.02 0.00 0.00 177.57 177.80 1mbh h ILE 104 N 0.49 0.33 -0.26 4.57 2.04 -0.70 0.10 117.51 124.08 1mbh h ILE 104 Ca 0.34 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 1mbh h ILE 104 Cb 0.40 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1mbh h ILE 104 CO -0.30 0.00 0.13 -0.08 0.00 0.00 0.00 178.15 177.90 1mbh h GLU 105 N -0.60 0.37 -0.74 2.37 4.57 -0.88 -0.60 114.58 119.08 1mbh h GLU 105 Ca 0.01 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1mbh h GLU 105 Cb 0.59 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.06 1mbh h GLU 105 CO -0.13 0.36 0.46 -0.07 -1.18 0.00 0.00 179.01 178.45 1mbh h LEU 106 N 0.29 0.75 -0.56 1.64 3.38 -0.68 0.10 115.31 120.23 1mbh h LEU 106 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1mbh h LEU 106 Cb 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1mbh h LEU 106 CO -0.01 0.51 0.00 0.58 0.09 0.00 0.00 178.44 179.61 1mbh h VAL 107 N 0.89 1.26 -0.80 1.22 2.07 -0.58 0.82 116.25 121.13 1mbh h VAL 107 Ca 0.30 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1mbh h VAL 107 Cb 0.05 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1mbh h VAL 107 CO -0.12 0.40 0.41 -0.61 0.02 0.00 0.00 177.57 177.67 1mbh h GLN 108 N 0.88 1.13 0.08 1.57 4.15 -0.24 0.41 115.11 123.09 1mbh h GLN 108 Ca 0.16 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1mbh h GLN 108 Cb 0.54 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1mbh h GLN 108 CO 0.03 0.85 -0.04 -0.22 -1.93 0.00 0.00 178.83 177.52 1mbh h LYS 109 N 1.13 -0.10 0.08 1.69 3.64 -0.56 -3.39 116.57 119.06 1mbh h LYS 109 Ca 0.28 0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.38 1mbh h LYS 109 Cb 0.07 0.02 0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1mbh h LYS 109 CO -0.04 0.03 -1.17 1.88 -2.27 0.00 0.00 179.45 177.89 1mbh h TYR 110 N -1.02 0.98 0.00 1.91 0.05 -0.92 -3.51 116.97 114.46 1mbh h TYR 110 Ca -0.01 -0.59 0.00 0.00 0.05 0.00 0.00 58.73 58.18 1mbh h TYR 110 Cb 0.19 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1mbh h TYR 110 CO 0.03 1.43 0.00 0.41 -1.05 0.00 0.00 178.16 178.97 1mbh n GLY 111 N 1.26 2.81 3.58 3.88 0.00 0.14 -5.03 105.19 111.84 1mbh n GLY 111 Ca -0.12 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.60 -0.56 -1.50 1.61 0.04 -1.25 -3.92 135.00 125.83 1mbh s PRO 112 Ca 0.00 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1mbh s PRO 112 Cb 0.00 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.91 1mbh s PRO 112 CO 0.00 -3.37 0.00 1.63 0.04 0.00 0.00 177.00 175.30 1mbh n LYS 113 N -4.61 -1.21 -2.70 4.56 4.76 -1.26 -4.91 118.16 112.80 1mbh n LYS 113 Ca 0.07 0.89 -0.22 0.00 -2.87 0.00 0.00 58.31 56.17 1mbh n LYS 113 Cb 0.57 -5.19 -0.01 0.00 -1.84 0.00 0.00 35.03 28.57 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 -2.54 2.62 -1.31 1.97 1.74 -1.25 -4.97 116.66 112.92 1mbh n ARG 114 Ca -0.18 -4.19 -0.38 0.00 -0.77 0.00 0.00 57.85 52.33 1mbh n ARG 114 Cb 0.60 -1.97 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 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 -0.25 2.47 0.18 -1.55 7.02 -1.26 -3.32 117.44 120.72 1mbh n TRP 115 Ca 0.29 -2.96 0.00 0.00 -1.02 0.00 0.00 57.50 53.82 1mbh n TRP 115 Cb 0.64 -2.42 0.00 0.00 -2.42 0.00 0.00 31.31 27.11 1mbh n TRP 115 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1mbh n SER 116 N 4.05 -1.96 -0.07 -0.99 3.41 -1.26 -4.38 113.62 112.42 1mbh n SER 116 Ca 0.72 0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 59.87 1mbh n SER 116 Cb 0.25 1.95 -0.03 0.00 -0.26 0.00 0.00 64.21 66.11 1mbh n SER 116 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1mbh h VAL 117 N 0.00 1.17 -0.45 -3.33 2.07 -1.99 -0.73 116.25 112.99 1mbh h VAL 117 Ca 0.00 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1mbh h VAL 117 Cb 0.00 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1mbh h VAL 117 CO 0.00 0.17 0.24 0.40 0.02 0.00 0.00 177.57 178.40 1mbh h ILE 118 N 0.25 1.00 -0.88 4.57 2.04 -1.90 -2.43 117.51 120.16 1mbh h ILE 118 Ca 0.08 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1mbh h ILE 118 Cb 0.17 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1mbh h ILE 118 CO -0.01 0.09 0.55 0.00 0.00 0.00 0.00 178.15 178.78 1mbh h ALA 119 N 1.22 1.11 -0.01 1.87 0.00 -1.76 -0.53 119.26 121.17 1mbh h ALA 119 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1mbh h ALA 119 Cb 0.07 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1mbh h ALA 119 CO -0.12 0.55 0.01 0.87 0.00 0.00 0.00 179.25 180.56 1mbh h LYS 120 N 1.20 0.00 0.11 0.00 1.57 -0.64 -2.02 116.57 116.79 1mbh h LYS 120 Ca 0.32 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.74 1mbh h LYS 120 Cb -0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1mbh h LYS 120 CO -0.06 0.00 -1.93 0.72 -0.57 0.00 0.00 179.45 177.60 1mbh n HIS 121 N -3.56 1.22 -2.10 -1.35 8.25 -0.59 -4.47 115.22 112.61 1mbh n HIS 121 Ca -0.03 0.28 -0.42 0.00 -0.26 0.00 0.00 57.72 57.29 1mbh n HIS 121 Cb 0.09 -1.16 -0.00 0.00 1.12 0.00 0.00 29.99 30.04 1mbh n HIS 121 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1mbh n LEU 122 N -3.58 5.90 -4.39 2.41 7.99 -0.31 -4.88 117.00 120.14 1mbh n LEU 122 Ca -0.32 -4.00 -0.32 0.00 -0.01 0.00 0.00 56.01 51.35 1mbh n LEU 122 Cb 1.01 -1.69 -0.06 0.00 -0.11 0.00 0.00 43.42 42.57 1mbh n LEU 122 CO 0.40 0.61 1.67 0.29 -1.51 0.00 0.00 177.39 178.85 1mbh n LYS 123 N 7.17 1.73 0.00 3.23 5.02 -1.25 -2.05 118.16 132.00 1mbh n LYS 123 Ca 0.51 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 1mbh n LYS 123 Cb 0.42 -3.56 0.00 0.00 -0.02 0.00 0.00 35.03 31.87 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 5.50 0.54 3.07 0.72 0.00 -1.26 -5.03 105.19 108.73 1mbh n GLY 124 Ca 0.46 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 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 2.66 1.23 1.61 1.81 -0.87 0.41 118.95 125.80 1mbh s ARG 125 Ca 0.00 -0.74 -0.20 0.00 -1.72 0.00 0.00 55.73 53.07 1mbh s ARG 125 Cb 0.00 -2.39 0.30 0.00 -0.45 0.00 0.00 34.95 32.41 1mbh s ARG 125 CO 0.00 -0.24 1.12 0.96 -0.68 0.00 0.00 175.30 176.46 1mbh s ILE 126 N 1.37 1.54 0.18 1.52 -4.36 -1.26 -4.60 121.20 115.58 1mbh s ILE 126 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 60.65 60.31 1mbh s ILE 126 Cb -0.13 -2.51 0.09 0.00 1.25 0.00 0.00 42.46 41.17 1mbh s ILE 126 CO -0.12 0.00 1.74 1.23 0.24 0.00 0.00 174.94 178.03 1mbh h GLY 127 N -2.68 0.65 0.84 6.27 0.00 -1.92 -0.60 103.07 105.63 1mbh h GLY 127 Ca -0.43 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 46.85 1mbh h GLY 127 CO 0.29 -0.01 0.36 1.70 0.00 0.00 0.00 176.54 178.89 1mbh h LYS 128 N 0.33 0.68 -0.02 4.80 3.64 -1.92 0.11 116.57 124.19 1mbh h LYS 128 Ca 0.24 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1mbh h LYS 128 Cb 0.27 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1mbh h LYS 128 CO -0.26 0.45 0.01 1.96 -2.27 0.00 0.00 179.45 179.34 1mbh h GLN 129 N 0.70 0.03 -0.29 1.90 1.08 -1.71 -0.40 115.11 116.42 1mbh h GLN 129 Ca 0.25 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.46 1mbh h GLN 129 Cb 0.05 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1mbh h GLN 129 CO -0.12 0.20 0.14 0.00 -0.95 0.00 0.00 178.83 178.10 1mbh h ARG 131 N 0.29 0.14 0.74 0.00 1.12 -0.66 -1.52 114.38 114.50 1mbh h ARG 131 Ca 0.12 -0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.95 1mbh h ARG 131 Cb 0.05 -0.03 0.01 0.00 -0.01 0.00 0.00 29.97 29.99 1mbh h ARG 131 CO -0.09 0.09 -0.35 1.49 -3.11 0.00 0.00 179.97 178.00 1mbh h GLU 132 N 0.15 -0.95 -0.98 0.20 4.81 -0.62 0.05 114.58 117.23 1mbh h GLU 132 Ca 0.17 0.07 0.30 0.00 -0.13 0.00 0.00 59.36 59.76 1mbh h GLU 132 Cb 0.21 0.22 -0.14 0.00 0.63 0.00 0.00 28.75 29.66 1mbh h GLU 132 CO -0.25 -0.63 0.52 -0.09 -0.73 0.00 0.00 179.01 177.83 1mbh h ARG 133 N -1.01 0.34 0.30 1.92 9.65 -0.65 -2.18 114.38 122.75 1mbh h ARG 133 Ca -0.10 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.74 1mbh h ARG 133 Cb 0.76 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 1mbh h ARG 133 CO 0.17 0.22 -0.15 2.35 2.80 0.00 0.00 179.97 185.36 1mbh h TRP 134 N 0.35 -0.38 0.00 2.20 2.91 -0.91 -3.18 115.95 116.93 1mbh h TRP 134 Ca 0.69 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.70 1mbh h TRP 134 Cb 1.52 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 30.30 1mbh h TRP 134 CO -0.05 -0.24 0.00 0.72 -1.03 0.00 0.00 178.44 177.85 1mbh n HIS 135 N -4.41 0.00 0.00 2.65 8.25 -0.03 -3.29 115.22 118.39 1mbh n HIS 135 Ca -0.05 -0.92 0.00 0.00 -0.26 0.00 0.00 57.72 56.49 1mbh n HIS 135 Cb 0.16 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.80 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 1.41 0.00 0.00 0.41 3.02 -0.92 -4.95 115.26 114.22 1mbh n ASN 136 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1mbh n ASN 136 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 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 -2.29 0.00 -3.99 3.10 8.25 -1.20 -4.84 115.22 114.24 1mbh n HIS 137 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1mbh n HIS 137 Cb 0.00 -0.39 -0.15 0.00 1.12 0.00 0.00 29.99 30.57 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 -3.35 3.35 -0.50 2.41 2.34 -1.24 -5.02 118.68 116.68 1mbh s LEU 138 Ca 0.00 -1.11 0.08 0.00 0.06 0.00 0.00 54.13 53.15 1mbh s LEU 138 Cb 0.00 -1.63 0.34 0.00 -0.56 0.00 0.00 46.19 44.34 1mbh s LEU 138 CO 0.00 -0.17 0.85 -3.20 -1.06 0.00 0.00 176.35 172.77 1mbh n ASN 139 N 4.58 2.99 0.36 1.48 5.15 -1.21 -4.52 115.26 124.09 1mbh n ASN 139 Ca -0.15 -3.40 -0.17 0.00 -0.60 0.00 0.00 54.58 50.26 1mbh n ASN 139 Cb 0.45 -0.59 -0.09 0.00 -0.53 0.00 0.00 39.78 39.02 1mbh n ASN 139 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1mbh h PRO 140 N 3.08 -0.87 -0.00 1.20 0.13 -1.95 -3.51 132.00 130.08 1mbh h PRO 140 Ca 0.12 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1mbh h PRO 140 Cb 0.69 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1mbh h PRO 140 CO 0.69 -0.55 0.00 0.39 -0.23 0.00 0.00 178.00 178.30