#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 3.35 -0.35 1.96 -1.09 -1.26 -4.80 121.20 119.02 1mbh s ILE 91 Ca 0.00 0.34 0.15 0.00 -2.23 0.00 0.00 60.65 58.91 1mbh s ILE 91 Cb 0.00 -3.52 0.44 0.00 -1.58 0.00 0.00 42.46 37.79 1mbh s ILE 91 CO 0.00 -0.36 1.11 1.17 -1.23 0.00 0.00 174.94 175.63 1mbh n LYS 92 N 8.59 1.18 -2.03 2.79 4.81 -1.26 -4.93 118.16 127.32 1mbh n LYS 92 Ca 0.25 -2.72 -0.32 0.00 -0.87 0.00 0.00 58.31 54.64 1mbh n LYS 92 Cb 0.47 -0.80 0.01 0.00 0.02 0.00 0.00 35.03 34.73 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 -2.44 1.97 -0.09 3.14 0.00 -1.26 -4.93 107.32 103.71 1mbh s GLY 93 Ca 0.25 0.23 -0.34 0.00 0.00 0.00 0.00 44.72 44.86 1mbh s GLY 93 CO -0.01 0.53 1.90 -1.05 0.00 0.00 0.00 173.10 174.47 1mbh n PRO 94 N -2.20 2.19 -1.78 2.90 -0.02 -1.26 -4.88 135.00 129.95 1mbh n PRO 94 Ca 0.08 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 1mbh n PRO 94 Cb 0.53 -2.67 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 1mbh n PRO 94 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mbh s TRP 95 N 4.24 2.81 0.19 6.00 0.52 -1.26 -5.00 118.94 126.44 1mbh s TRP 95 Ca 0.93 0.69 0.02 0.00 0.02 0.00 0.00 56.10 57.76 1mbh s TRP 95 Cb -0.68 -4.07 -0.04 0.00 -1.15 0.00 0.00 33.47 27.54 1mbh s TRP 95 CO 0.51 -3.71 0.35 0.95 0.02 0.00 0.00 176.95 175.07 1mbh s THR 96 N 0.30 5.26 0.33 2.01 -4.23 -1.26 -4.98 115.64 113.08 1mbh s THR 96 Ca 0.66 -0.63 0.03 0.00 -1.18 0.00 0.00 61.69 60.57 1mbh s THR 96 Cb -0.48 -3.77 0.28 0.00 1.34 0.00 0.00 72.50 69.87 1mbh s THR 96 CO 0.44 -0.19 1.95 0.50 -0.54 0.00 0.00 174.62 176.78 1mbh h LYS 97 N 1.83 0.87 -0.31 3.99 3.64 -1.99 -0.38 116.57 124.23 1mbh h LYS 97 Ca -0.49 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.81 1mbh h LYS 97 Cb 1.20 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1mbh h LYS 97 CO 0.67 0.58 0.07 0.93 -2.27 0.00 0.00 179.45 179.43 1mbh h GLU 98 N 0.90 0.49 -0.06 1.90 5.08 -1.98 0.02 114.58 120.93 1mbh h GLU 98 Ca 0.33 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1mbh h GLU 98 Cb 0.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1mbh h GLU 98 CO -0.11 0.56 -0.01 0.93 -1.00 0.00 0.00 179.01 179.38 1mbh h GLU 99 N 0.33 0.00 -0.29 2.33 5.08 -1.72 0.15 114.58 120.46 1mbh h GLU 99 Ca 0.10 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1mbh h GLU 99 Cb 0.29 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1mbh h GLU 99 CO 0.00 0.00 0.04 -0.44 -1.00 0.00 0.00 179.01 177.61 1mbh h ASP 100 N 0.00 -0.03 -0.76 1.42 3.32 -0.97 -0.96 116.42 118.44 1mbh h ASP 100 Ca 0.03 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.20 1mbh h ASP 100 Cb 0.04 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 1mbh h ASP 100 CO -0.06 0.02 0.50 -0.61 -1.72 0.00 0.00 179.24 177.36 1mbh h GLN 101 N 0.13 0.76 0.04 3.56 4.15 -0.58 0.14 115.11 123.31 1mbh h GLN 101 Ca 0.14 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1mbh h GLN 101 Cb 0.16 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1mbh h GLN 101 CO -0.20 0.51 -0.02 -0.09 -1.93 0.00 0.00 178.83 177.10 1mbh h ARG 102 N 0.79 -0.06 -0.36 1.69 1.12 0.34 -0.62 114.38 117.28 1mbh h ARG 102 Ca 0.33 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.20 1mbh h ARG 102 Cb 0.27 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.23 1mbh h ARG 102 CO -0.11 -0.01 0.22 0.28 -3.11 0.00 0.00 179.97 177.23 1mbh h VAL 103 N -0.08 1.12 -0.46 0.20 2.07 -0.54 -1.85 116.25 116.72 1mbh h VAL 103 Ca -0.01 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.32 1mbh h VAL 103 Cb 0.07 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 1mbh h VAL 103 CO 0.01 0.12 -0.01 0.40 0.02 0.00 0.00 177.57 178.11 1mbh h ILE 104 N 0.47 0.63 -0.86 4.57 2.04 -0.76 0.32 117.51 123.93 1mbh h ILE 104 Ca 0.13 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1mbh h ILE 104 Cb 0.01 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1mbh h ILE 104 CO -0.02 0.02 0.50 -0.08 0.00 0.00 0.00 178.15 178.56 1mbh h GLU 105 N 0.10 1.18 -0.08 2.37 4.57 -0.75 0.03 114.58 121.99 1mbh h GLU 105 Ca 0.23 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1mbh h GLU 105 Cb 0.34 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1mbh h GLU 105 CO -0.39 0.84 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.20 1mbh h LEU 106 N 1.18 0.15 -1.26 1.64 3.38 -0.45 -2.50 115.31 117.45 1mbh h LEU 106 Ca 0.30 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1mbh h LEU 106 Cb -0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1mbh h LEU 106 CO -0.05 0.47 0.32 0.58 0.09 0.00 0.00 178.44 179.84 1mbh h VAL 107 N -0.17 1.18 -0.13 1.22 2.07 -0.81 0.27 116.25 119.89 1mbh h VAL 107 Ca 0.02 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1mbh h VAL 107 Cb 0.40 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1mbh h VAL 107 CO 0.01 0.21 -0.02 -0.61 0.02 0.00 0.00 177.57 177.18 1mbh h GLN 108 N 0.83 0.18 0.00 1.57 4.15 -0.83 0.20 115.11 121.21 1mbh h GLN 108 Ca 0.21 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1mbh h GLN 108 Cb 0.04 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1mbh h GLN 108 CO -0.03 0.22 -0.31 1.17 -1.93 0.00 0.00 178.83 177.95 1mbh n LYS 109 N -4.41 0.27 0.10 1.69 4.81 -0.42 -4.58 118.16 115.62 1mbh n LYS 109 Ca -0.01 0.40 -0.04 0.00 -0.87 0.00 0.00 58.31 57.79 1mbh n LYS 109 Cb 0.17 -1.29 0.11 0.00 0.02 0.00 0.00 35.03 34.03 1mbh n LYS 109 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1mbh h TYR 110 N -0.58 0.16 0.00 5.64 0.05 -0.63 -3.50 116.97 118.10 1mbh h TYR 110 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1mbh h TYR 110 Cb 0.31 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1mbh h TYR 110 CO -0.13 0.76 0.00 0.41 -1.05 0.00 0.00 178.16 178.15 1mbh n GLY 111 N 0.42 1.20 3.69 3.88 0.00 0.71 -5.01 105.19 110.07 1mbh n GLY 111 Ca -0.02 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.17 1.17 1.33 1.61 0.04 -1.26 -4.65 135.00 131.08 1mbh s PRO 112 Ca 0.00 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1mbh s PRO 112 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1mbh s PRO 112 CO 0.00 -2.50 0.00 1.63 0.04 0.00 0.00 177.00 176.17 1mbh n LYS 113 N -4.14 0.00 -3.70 4.56 5.02 -1.26 -4.96 118.16 113.68 1mbh n LYS 113 Ca 0.11 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.17 1mbh n LYS 113 Cb 0.52 0.00 0.05 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 -0.64 -5.68 0.27 1.97 1.74 -1.26 -4.85 116.66 108.20 1mbh n ARG 114 Ca 0.00 0.67 0.18 0.00 -0.77 0.00 0.00 57.85 57.93 1mbh n ARG 114 Cb 0.00 -5.44 0.88 0.00 -1.02 0.00 0.00 32.46 26.88 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 -2.02 0.00 0.00 -1.55 4.06 -1.94 -1.25 115.95 113.25 1mbh h TRP 115 Ca -0.60 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.32 1mbh h TRP 115 Cb 1.36 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.52 1mbh h TRP 115 CO 0.49 0.00 -0.15 1.03 -3.56 0.00 0.00 178.44 176.25 1mbh h SER 116 N 0.00 0.00 0.00 -3.49 0.87 -1.95 0.77 113.55 109.75 1mbh h SER 116 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1mbh h SER 116 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1mbh h SER 116 CO 0.00 0.15 -0.48 0.58 -0.53 0.00 0.00 176.83 176.55 1mbh h VAL 117 N 0.00 1.34 -0.91 2.23 2.07 -1.59 -3.24 116.25 116.15 1mbh h VAL 117 Ca -0.00 -2.19 0.07 0.00 0.82 0.00 0.00 66.70 65.39 1mbh h VAL 117 Cb 0.32 2.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.74 1mbh h VAL 117 CO 0.02 0.46 0.57 0.40 0.02 0.00 0.00 177.57 179.04 1mbh h ILE 118 N -1.00 1.05 -0.95 4.57 2.04 -1.48 -1.47 117.51 120.28 1mbh h ILE 118 Ca -0.13 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.42 1mbh h ILE 118 Cb 1.06 -0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1mbh h ILE 118 CO -0.08 0.19 0.61 0.00 0.00 0.00 0.00 178.15 178.88 1mbh h ALA 119 N 1.43 1.27 0.00 1.87 0.00 -0.98 0.22 119.26 123.06 1mbh h ALA 119 Ca 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1mbh h ALA 119 Cb 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1mbh h ALA 119 CO -0.18 0.47 0.00 1.63 0.00 0.00 0.00 179.25 181.17 1mbh n LYS 120 N -4.50 0.14 -0.07 0.00 5.02 -0.57 -2.39 118.16 115.80 1mbh n LYS 120 Ca 0.13 0.43 -0.04 0.00 -2.02 0.00 0.00 58.31 56.80 1mbh n LYS 120 Cb 0.11 -1.80 -0.14 0.00 -0.02 0.00 0.00 35.03 33.18 1mbh n LYS 120 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1mbh n HIS 121 N -2.08 0.00 -2.74 2.13 8.25 -0.05 -4.64 115.22 116.08 1mbh n HIS 121 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 1mbh n HIS 121 Cb 0.18 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.55 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 -2.52 5.98 -4.66 2.41 -0.00 0.58 -5.00 117.00 113.79 1mbh n LEU 122 Ca -0.22 -4.68 -0.47 0.00 -0.00 0.00 0.00 56.01 50.64 1mbh n LEU 122 Cb 0.93 -1.51 -0.04 0.00 -0.00 0.00 0.00 43.42 42.80 1mbh n LEU 122 CO 0.37 1.16 1.14 0.29 -0.00 0.00 0.00 177.39 180.35 1mbh n LYS 123 N 4.14 2.02 0.00 1.96 4.76 -1.26 -1.43 118.16 128.35 1mbh n LYS 123 Ca 0.36 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.52 1mbh n LYS 123 Cb 0.39 -2.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.11 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 3.15 3.08 3.94 0.72 0.00 -1.26 -5.03 105.19 109.79 1mbh n GLY 124 Ca 0.16 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 2.61 0.40 1.61 0.52 -0.51 -4.87 118.95 118.70 1mbh s ARG 125 Ca 0.00 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 1mbh s ARG 125 Cb 0.00 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 1mbh s ARG 125 CO 0.00 -0.84 0.09 0.96 0.02 0.00 0.00 175.30 175.53 1mbh s ILE 126 N -2.99 0.86 0.22 1.52 -4.36 -1.26 -4.86 121.20 110.33 1mbh s ILE 126 Ca 0.56 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.87 1mbh s ILE 126 Cb -0.10 -2.47 0.16 0.00 1.25 0.00 0.00 42.46 41.30 1mbh s ILE 126 CO 0.43 0.00 1.76 1.23 0.24 0.00 0.00 174.94 178.59 1mbh h GLY 127 N 1.83 0.96 0.77 6.27 0.00 -1.92 -1.28 103.07 109.70 1mbh h GLY 127 Ca -0.38 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1mbh h GLY 127 CO 0.63 0.00 -0.16 1.70 0.00 0.00 0.00 176.54 178.71 1mbh h LYS 128 N 0.48 -0.32 -0.14 4.80 1.63 -1.97 0.35 116.57 121.41 1mbh h LYS 128 Ca 0.33 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.18 1mbh h LYS 128 Cb 0.40 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 1mbh h LYS 128 CO -0.30 -0.21 -0.05 1.96 -3.45 0.00 0.00 179.45 177.39 1mbh h GLN 129 N -0.33 -0.03 0.54 1.90 1.08 -1.80 0.14 115.11 116.60 1mbh h GLN 129 Ca 0.01 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1mbh h GLN 129 Cb 0.33 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1mbh h GLN 129 CO -0.06 -0.02 -0.26 0.00 -0.95 0.00 0.00 178.83 177.54 1mbh h ARG 131 N -0.73 0.62 0.84 0.00 1.12 -0.81 -1.07 114.38 114.35 1mbh h ARG 131 Ca -0.07 -0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 58.72 1mbh h ARG 131 Cb 0.56 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 30.38 1mbh h ARG 131 CO 0.12 0.41 -0.42 1.49 -3.11 0.00 0.00 179.97 178.46 1mbh h GLU 132 N 0.64 -1.11 -0.82 0.20 4.81 -0.53 -0.02 114.58 117.75 1mbh h GLU 132 Ca 0.30 0.08 0.20 0.00 -0.13 0.00 0.00 59.36 59.80 1mbh h GLU 132 Cb 0.22 0.25 -0.13 0.00 0.63 0.00 0.00 28.75 29.73 1mbh h GLU 132 CO -0.20 -0.74 0.23 -0.09 -0.73 0.00 0.00 179.01 177.48 1mbh h ARG 133 N -1.15 0.26 0.65 1.92 9.65 -0.84 -1.99 114.38 122.87 1mbh h ARG 133 Ca -0.12 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.72 1mbh h ARG 133 Cb 0.89 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.42 1mbh h ARG 133 CO 0.18 0.17 -0.31 2.35 2.80 0.00 0.00 179.97 185.16 1mbh h TRP 134 N 0.27 -0.81 0.00 2.20 2.91 -0.96 -2.97 115.95 116.59 1mbh h TRP 134 Ca 0.49 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.49 1mbh h TRP 134 Cb 0.92 0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 1mbh h TRP 134 CO -0.25 -0.46 0.00 0.72 -1.03 0.00 0.00 178.44 177.42 1mbh n HIS 135 N -5.41 0.00 0.00 2.65 8.25 -0.04 -0.87 115.22 119.80 1mbh n HIS 135 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1mbh n HIS 135 Cb 0.37 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 0.07 0.00 -0.03 0.41 3.02 -0.81 -4.95 115.26 112.96 1mbh n ASN 136 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 1mbh n ASN 136 Cb 0.20 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.23 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 -0.66 0.85 0.00 3.10 8.25 -1.22 -4.87 115.22 120.67 1mbh n HIS 137 Ca 0.00 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1mbh n HIS 137 Cb 0.00 -1.13 0.00 0.00 1.12 0.00 0.00 29.99 29.98 1mbh n HIS 137 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1mbh n LEU 138 N -3.21 0.00 -3.87 2.41 7.99 -1.16 -4.90 117.00 114.26 1mbh n LEU 138 Ca -0.28 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.48 1mbh n LEU 138 Cb 1.06 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 44.36 1mbh n LEU 138 CO 0.41 0.00 -0.18 -3.20 -1.51 0.00 0.00 177.39 172.91 1mbh n ASN 139 N 0.00 -0.57 0.26 -1.43 2.85 -0.05 -4.86 115.26 111.46 1mbh n ASN 139 Ca 0.00 -0.95 0.11 0.00 -0.11 0.00 0.00 54.58 53.63 1mbh n ASN 139 Cb 0.00 -3.38 0.72 0.00 1.24 0.00 0.00 39.78 38.37 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 -1.85 0.00 0.00 1.20 0.13 -1.90 -3.51 132.00 126.07 1mbh h PRO 140 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1mbh h PRO 140 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1mbh h PRO 140 CO 0.60 0.08 0.00 0.39 -0.23 0.00 0.00 178.00 178.85