#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1i h GLU 96 N 0.00 0.00 -0.07 6.28 -0.00 -2.05 -0.26 114.58 118.47 1g1i h GLU 96 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1g1i h GLU 96 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1g1i h GLU 96 CO 0.00 0.14 -0.09 0.87 -0.00 0.00 0.00 179.01 179.93 1g1i h LYS 97 N 0.00 0.19 -0.15 1.06 1.79 -2.06 -2.00 116.57 115.40 1g1i h LYS 97 Ca -0.00 -0.11 -0.08 0.00 -2.18 0.00 0.00 60.65 58.28 1g1i h LYS 97 Cb 0.37 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1g1i h LYS 97 CO 0.02 0.65 -0.25 1.96 -1.08 0.00 0.00 179.45 180.74 1g1i h GLN 98 N -0.26 0.27 -0.82 3.15 7.50 -1.92 -2.18 115.11 120.84 1g1i h GLN 98 Ca 0.01 -0.09 -0.03 0.00 0.50 0.00 0.00 58.65 59.04 1g1i h GLN 98 Cb 0.63 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.10 1g1i h GLN 98 CO 0.02 0.51 0.41 1.98 -1.50 0.00 0.00 178.83 180.25 1g1i h MET 99 N 0.24 1.16 -0.41 1.46 4.05 -0.96 -1.33 114.93 119.14 1g1i h MET 99 Ca 0.04 -0.16 -0.12 0.00 -0.28 0.00 0.00 59.70 59.18 1g1i h MET 99 Cb 0.59 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1g1i h MET 99 CO 0.04 0.88 -0.22 -0.44 0.23 0.00 0.00 176.91 177.40 1g1i h ASP 100 N 1.16 0.84 -0.42 1.39 5.19 -0.83 -2.04 116.42 121.69 1g1i h ASP 100 Ca 0.28 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1g1i h ASP 100 Cb 0.09 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 1g1i h ASP 100 CO -0.04 1.03 0.27 0.03 -3.12 0.00 0.00 179.24 177.42 1g1i h ARG 101 N 0.72 0.57 -0.07 3.56 3.08 -0.78 -0.95 114.38 120.51 1g1i h ARG 101 Ca 0.10 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1g1i h ARG 101 Cb 0.75 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 1g1i h ARG 101 CO 0.06 0.39 -0.15 0.28 -1.07 0.00 0.00 179.97 179.48 1g1i h VAL 102 N 0.57 0.62 -0.85 2.04 2.07 -1.05 0.22 116.25 119.88 1g1i h VAL 102 Ca 0.15 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.75 1g1i h VAL 102 Cb -0.04 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 1g1i h VAL 102 CO -0.03 0.00 0.51 0.58 0.02 0.00 0.00 177.57 178.65 1g1i h VAL 103 N -0.21 1.00 -0.54 2.57 2.07 -1.00 -1.18 116.25 118.97 1g1i h VAL 103 Ca 0.07 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 1g1i h VAL 103 Cb 0.31 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1g1i h VAL 103 CO -0.19 0.17 -0.03 0.11 0.02 0.00 0.00 177.57 177.65 1g1i h LYS 104 N 0.91 0.94 -0.65 1.57 6.56 -0.45 -2.20 116.57 123.26 1g1i h LYS 104 Ca 0.38 -0.29 -0.07 0.00 -1.06 0.00 0.00 60.65 59.60 1g1i h LYS 104 Cb 0.23 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.77 1g1i h LYS 104 CO -0.19 0.95 0.11 0.93 -2.06 0.00 0.00 179.45 179.19 1g1i h GLU 105 N 0.86 1.05 -0.50 3.15 4.39 -0.20 -2.03 114.58 121.30 1g1i h GLU 105 Ca 0.15 -0.27 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 1g1i h GLU 105 Cb 0.55 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1g1i h GLU 105 CO 0.03 0.96 0.05 0.52 -1.16 0.00 0.00 179.01 179.41 1g1i h MET 106 N 0.99 0.81 -0.33 2.33 2.86 -0.99 0.26 114.93 120.86 1g1i h MET 106 Ca 0.20 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1g1i h MET 106 Cb 0.41 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1g1i h MET 106 CO 0.01 0.78 -0.17 -0.09 1.06 0.00 0.00 176.91 178.50 1g1i h ARG 107 N 0.77 0.61 -0.24 1.72 2.43 -1.14 0.24 114.38 118.77 1g1i h ARG 107 Ca 0.16 -0.21 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 1g1i h ARG 107 Cb 0.39 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1g1i h ARG 107 CO 0.01 0.75 -0.56 0.00 -1.51 0.00 0.00 179.97 178.67 1g1i h ARG 108 N 0.55 0.74 -0.49 0.20 3.08 -0.76 -2.92 114.38 114.78 1g1i h ARG 108 Ca 0.09 -0.47 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 1g1i h ARG 108 Cb 0.61 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1g1i h ARG 108 CO 0.04 1.09 0.15 0.37 -1.07 0.00 0.00 179.97 180.56 1g1i h GLN 109 N 0.56 0.76 -0.18 0.04 4.15 0.08 -3.06 115.11 117.47 1g1i h GLN 109 Ca 0.01 -0.17 0.04 0.00 0.77 0.00 0.00 58.65 59.30 1g1i h GLN 109 Cb 1.14 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.68 1g1i h GLN 109 CO 0.12 0.72 -0.09 1.25 -1.93 0.00 0.00 178.83 178.90 1g1i h LEU 110 N 0.66 -0.29 -1.60 -2.39 5.85 -0.91 -0.50 115.31 116.13 1g1i h LEU 110 Ca 0.16 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1g1i h LEU 110 Cb 0.28 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1g1i h LEU 110 CO -0.00 -0.12 0.00 -0.62 -0.34 0.00 0.00 178.44 177.36 1g1i n GLU 111 N -5.24 0.00 0.00 1.25 4.71 -1.11 -0.65 120.64 119.60 1g1i n GLU 111 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1g1i n GLU 111 Cb 0.16 -0.98 0.00 0.00 -1.01 0.00 0.00 31.44 29.61 1g1i n GLU 111 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1g1i n ILE 113 N 0.55 0.00 -0.28 -3.67 5.41 -0.20 -2.06 119.36 119.11 1g1i n ILE 113 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 1g1i n ILE 113 Cb 0.00 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 38.99 1g1i n ILE 113 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1g1i h ASP 114 N 0.00 1.04 0.12 4.38 3.32 -1.15 0.21 116.42 124.34 1g1i h ASP 114 Ca 0.00 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1g1i h ASP 114 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1g1i h ASP 114 CO 0.00 0.91 -0.06 0.11 -1.72 0.00 0.00 179.24 178.48 1g1i h LYS 115 N 1.11 -0.15 -0.82 3.56 6.56 -1.67 -1.46 116.57 123.70 1g1i h LYS 115 Ca 0.26 0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.92 1g1i h LYS 115 Cb 0.17 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.80 1g1i h LYS 115 CO -0.03 -0.06 0.50 -0.07 -2.06 0.00 0.00 179.45 177.73 1g1i h LEU 116 N -0.21 0.78 -0.17 2.94 4.07 -1.79 -0.30 115.31 120.63 1g1i h LEU 116 Ca -0.02 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1g1i h LEU 116 Cb 0.17 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1g1i h LEU 116 CO 0.03 0.50 0.10 0.74 -1.08 0.00 0.00 178.44 178.72 1g1i h THR 117 N 0.91 1.09 -0.29 0.22 2.02 -0.67 -0.79 112.91 115.40 1g1i h THR 117 Ca 0.36 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 67.15 1g1i h THR 117 Cb 0.17 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1g1i h THR 117 CO -0.17 0.08 -0.46 0.71 0.37 0.00 0.00 175.52 176.04 1g1i h THR 118 N 0.19 1.29 -0.32 3.16 1.35 -0.98 -2.86 112.91 114.74 1g1i h THR 118 Ca 0.06 -1.66 -0.09 0.00 -0.55 0.00 0.00 66.41 64.18 1g1i h THR 118 Cb 0.04 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 1g1i h THR 118 CO -0.01 0.54 -0.17 0.03 -0.25 0.00 0.00 175.52 175.66 1g1i h ARG 119 N 0.62 0.59 -0.60 4.72 3.08 -0.96 -2.62 114.38 119.21 1g1i h ARG 119 Ca 0.03 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1g1i h ARG 119 Cb 1.04 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 1g1i h ARG 119 CO 0.10 0.73 0.33 1.49 -1.07 0.00 0.00 179.97 181.56 1g1i h GLU 120 N 0.53 0.83 -0.36 0.04 4.22 -1.08 -0.85 114.58 117.91 1g1i h GLU 120 Ca 0.09 -0.09 0.02 0.00 0.08 0.00 0.00 59.36 59.45 1g1i h GLU 120 Cb 0.59 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1g1i h GLU 120 CO 0.04 0.62 0.21 0.82 -2.18 0.00 0.00 179.01 178.52 1g1i h ILE 121 N 0.81 1.03 -0.88 2.32 2.04 -1.26 -0.65 117.51 120.92 1g1i h ILE 121 Ca 0.21 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1g1i h ILE 121 Cb 0.03 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1g1i h ILE 121 CO -0.04 0.08 0.51 -0.33 0.00 0.00 0.00 178.15 178.37 1g1i h GLU 122 N 0.42 1.20 0.11 2.37 4.39 -1.11 -1.77 114.58 120.19 1g1i h GLU 122 Ca 0.14 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1g1i h GLU 122 Cb 0.01 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 1g1i h GLU 122 CO -0.07 0.85 -0.05 1.96 -1.16 0.00 0.00 179.01 180.54 1g1i h GLN 123 N 1.21 -0.14 -0.74 2.33 4.20 -0.52 -1.76 115.11 119.69 1g1i h GLN 123 Ca 0.31 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.99 1g1i h GLN 123 Cb -0.03 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1g1i h GLN 123 CO -0.06 0.14 0.31 -0.24 -0.67 0.00 0.00 178.83 178.31 1g1i h VAL 124 N -0.41 1.25 -0.63 -0.54 3.04 -1.04 0.11 116.25 118.03 1g1i h VAL 124 Ca -0.01 -0.76 -0.01 0.00 -1.01 0.00 0.00 66.70 64.90 1g1i h VAL 124 Cb 0.34 0.34 -0.03 0.00 -2.01 0.00 0.00 31.29 29.93 1g1i h VAL 124 CO 0.02 0.31 0.33 -0.33 -1.01 0.00 0.00 177.57 176.90 1g1i h GLU 125 N 1.07 0.87 -0.14 4.17 4.39 -1.27 -0.74 114.58 122.93 1g1i h GLU 125 Ca 0.25 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 59.69 1g1i h GLU 125 Cb 0.18 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1g1i h GLU 125 CO -0.02 0.65 -0.62 -0.07 -1.16 0.00 0.00 179.01 177.79 1g1i h LEU 126 N 0.87 0.54 -0.50 1.33 3.38 -0.56 -2.78 115.31 117.60 1g1i h LEU 126 Ca 0.22 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1g1i h LEU 126 Cb 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1g1i h LEU 126 CO -0.03 1.03 0.08 -0.07 0.09 0.00 0.00 178.44 179.53 1g1i h LEU 127 N 0.35 0.79 -0.93 1.67 3.38 -0.22 -0.99 115.31 119.36 1g1i h LEU 127 Ca -0.01 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1g1i h LEU 127 Cb 1.17 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1g1i h LEU 127 CO 0.11 0.85 0.24 0.11 0.09 0.00 0.00 178.44 179.84 1g1i h LYS 128 N 0.70 1.03 -0.45 1.13 1.57 -1.14 0.05 116.57 119.45 1g1i h LYS 128 Ca 0.15 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1g1i h LYS 128 Cb 0.39 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1g1i h LYS 128 CO 0.01 0.86 -0.11 0.00 -0.57 0.00 0.00 179.45 179.64 1g1i h ARG 129 N 1.00 0.87 -0.53 3.15 3.08 -1.21 -1.52 114.38 119.23 1g1i h ARG 129 Ca 0.23 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1g1i h ARG 129 Cb 0.24 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1g1i h ARG 129 CO -0.01 0.98 0.25 0.82 -1.07 0.00 0.00 179.97 180.93 1g1i h ILE 130 N 0.71 1.20 -0.69 2.04 2.04 -0.84 -1.05 117.51 120.92 1g1i h ILE 130 Ca 0.12 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1g1i h ILE 130 Cb 0.65 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1g1i h ILE 130 CO 0.04 0.23 0.46 0.22 0.00 0.00 0.00 178.15 179.10 1g1i h TYR 131 N 0.71 0.88 -0.66 1.37 3.20 -0.84 -2.22 116.97 119.40 1g1i h TYR 131 Ca 0.18 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1g1i h TYR 131 Cb 0.13 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 1g1i h TYR 131 CO -0.00 0.56 0.30 -0.44 -1.64 0.00 0.00 178.16 176.93 1g1i h ASP 132 N 0.94 0.87 0.54 -2.11 3.32 -0.81 -1.79 116.42 117.37 1g1i h ASP 132 Ca 0.25 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1g1i h ASP 132 Cb -0.10 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.23 1g1i h ASP 132 CO -0.05 0.75 0.00 0.11 -1.72 0.00 0.00 179.24 178.33 1g1i h LYS 133 N 0.95 0.00 -0.05 3.56 1.79 -0.59 -2.62 116.57 119.61 1g1i h LYS 133 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1g1i h LYS 133 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1g1i h LYS 133 CO -0.03 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.62 1g1i n LEU 134 N -2.64 2.42 -4.39 2.94 4.77 -0.71 -5.01 117.00 114.37 1g1i n LEU 134 Ca 0.00 -1.05 -0.23 0.00 -0.03 0.00 0.00 56.01 54.70 1g1i n LEU 134 Cb 0.18 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1g1i n LEU 134 CO 0.20 0.44 -0.48 -0.89 -1.33 0.00 0.00 177.39 175.33 1g1i s THR 135 N -1.35 2.10 0.15 -5.08 2.01 -0.97 -5.09 115.64 107.41 1g1i s THR 135 Ca 0.20 -2.13 -0.32 0.00 0.31 0.00 0.00 61.69 59.75 1g1i s THR 135 Cb 0.14 -2.07 -0.11 0.00 0.01 0.00 0.00 72.50 70.47 1g1i s THR 135 CO 0.21 -0.35 1.79 0.55 -0.69 0.00 0.00 174.62 176.13 1g1i n VAL 136 N -0.09 0.23 -0.78 3.82 3.14 -1.26 -4.92 118.33 118.47 1g1i n VAL 136 Ca -0.10 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1g1i n VAL 136 Cb 0.58 -2.04 0.00 0.00 -1.06 0.00 0.00 33.84 31.33 1g1i n VAL 136 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04