#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 -0.27 6.28 -0.00 -2.05 0.35 114.58 118.89 1g1i h GLU 96 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.20 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 0.13 -0.47 0.87 -0.00 0.00 0.00 179.01 179.54 1g1i h LYS 97 N 0.00 0.80 -0.09 1.06 1.79 -2.05 -1.65 116.57 116.43 1g1i h LYS 97 Ca -0.00 -0.50 -0.02 0.00 -2.18 0.00 0.00 60.65 57.95 1g1i h LYS 97 Cb 0.32 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1g1i h LYS 97 CO 0.02 1.13 -0.03 1.96 -1.08 0.00 0.00 179.45 181.44 1g1i h GLN 98 N 0.56 0.18 -0.13 3.15 7.50 -1.73 -2.03 115.11 122.60 1g1i h GLN 98 Ca 0.02 -0.07 0.04 0.00 0.50 0.00 0.00 58.65 59.14 1g1i h GLN 98 Cb 1.07 -0.01 -0.05 0.00 0.05 0.00 0.00 27.48 28.54 1g1i h GLN 98 CO 0.11 0.52 -0.19 0.52 -1.50 0.00 0.00 178.83 178.29 1g1i h MET 99 N -0.17 -0.22 -0.64 1.46 2.86 -0.97 0.85 114.93 118.09 1g1i h MET 99 Ca 0.02 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.79 1g1i h MET 99 Cb 0.46 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.09 1g1i h MET 99 CO 0.01 -0.15 0.21 0.22 1.06 0.00 0.00 176.91 178.27 1g1i h ASP 100 N -0.23 0.17 -0.48 1.22 3.58 -1.31 -0.81 116.42 118.57 1g1i h ASP 100 Ca 0.10 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1g1i h ASP 100 Cb 0.38 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1g1i h ASP 100 CO -0.27 0.09 0.29 0.03 -2.88 0.00 0.00 179.24 176.51 1g1i h ARG 101 N 0.37 0.64 -0.32 0.28 -0.00 -0.44 -1.56 114.38 113.36 1g1i h ARG 101 Ca 0.33 -0.05 0.05 0.00 -0.50 0.00 0.00 59.98 59.81 1g1i h ARG 101 Cb 0.46 -0.14 -0.05 0.00 0.00 0.00 0.00 29.97 30.24 1g1i h ARG 101 CO -0.36 0.46 0.01 0.28 0.00 0.00 0.00 179.97 180.36 1g1i h VAL 102 N 0.64 0.78 -0.37 2.04 2.07 0.15 -0.62 116.25 120.94 1g1i h VAL 102 Ca 0.17 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1g1i h VAL 102 Cb -0.02 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1g1i h VAL 102 CO -0.03 0.02 0.09 0.58 0.02 0.00 0.00 177.57 178.25 1g1i h VAL 103 N 0.11 0.84 0.49 2.57 2.07 -0.72 0.59 116.25 122.19 1g1i h VAL 103 Ca 0.15 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1g1i h VAL 103 Cb 0.20 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1g1i h VAL 103 CO -0.24 0.04 -0.23 0.11 0.02 0.00 0.00 177.57 177.26 1g1i h LYS 104 N 0.22 -0.63 -0.76 1.57 1.57 -0.86 -2.32 116.57 115.35 1g1i h LYS 104 Ca 0.17 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.09 1g1i h LYS 104 Cb 0.19 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 1g1i h LYS 104 CO -0.21 -0.42 0.41 1.49 -0.57 0.00 0.00 179.45 180.15 1g1i h GLU 105 N -0.66 0.67 -0.11 3.15 4.57 -0.91 -0.50 114.58 120.80 1g1i h GLU 105 Ca -0.07 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1g1i h GLU 105 Cb 0.50 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1g1i h GLU 105 CO 0.11 0.44 -0.00 0.52 -1.18 0.00 0.00 179.01 178.90 1g1i h MET 106 N 0.69 0.03 -0.21 1.92 2.86 -0.73 0.11 114.93 119.61 1g1i h MET 106 Ca 0.37 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.98 1g1i h MET 106 Cb 0.37 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1g1i h MET 106 CO -0.26 0.02 -0.02 0.00 1.06 0.00 0.00 176.91 177.71 1g1i h ARG 107 N 0.04 0.31 -0.16 1.72 3.08 -0.98 0.23 114.38 118.61 1g1i h ARG 107 Ca 0.05 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1g1i h ARG 107 Cb 0.06 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1g1i h ARG 107 CO -0.09 0.35 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.03 1g1i h ARG 108 N 0.30 0.32 -0.06 0.04 2.43 -0.27 -2.17 114.38 114.97 1g1i h ARG 108 Ca 0.07 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1g1i h ARG 108 Cb 0.24 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1g1i h ARG 108 CO 0.01 0.60 -0.44 1.96 -1.51 0.00 0.00 179.97 180.59 1g1i h GLN 109 N 0.01 0.13 -0.14 0.20 4.20 -0.28 -2.50 115.11 116.72 1g1i h GLN 109 Ca 0.04 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1g1i h GLN 109 Cb 0.49 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1g1i h GLN 109 CO 0.02 0.55 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.42 1g1i h LEU 110 N 0.11 0.25 -1.47 1.46 3.38 -0.46 -1.02 115.31 117.55 1g1i h LEU 110 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1g1i h LEU 110 Cb 0.83 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1g1i h LEU 110 CO 0.06 0.50 0.00 1.21 0.09 0.00 0.00 178.44 180.30 1g1i n GLU 111 N -4.17 0.30 0.00 1.13 2.13 -0.82 -0.50 120.64 118.71 1g1i n GLU 111 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1g1i n GLU 111 Cb 0.35 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.82 1g1i n GLU 111 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1g1i n ILE 113 N 0.58 0.00 -0.05 6.31 5.41 -0.39 -1.73 119.36 129.50 1g1i n ILE 113 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 1g1i n ILE 113 Cb 0.11 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.99 1g1i n ILE 113 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1g1i h ASP 114 N 0.00 0.25 -0.47 4.38 3.58 -1.04 -0.42 116.42 122.69 1g1i h ASP 114 Ca 0.00 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 1g1i h ASP 114 Cb 0.00 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1g1i h ASP 114 CO 0.00 0.35 0.20 0.11 -2.88 0.00 0.00 179.24 177.02 1g1i h LYS 115 N 0.12 0.75 -0.58 0.28 6.56 -1.59 -2.46 116.57 119.65 1g1i h LYS 115 Ca 0.06 -0.11 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 1g1i h LYS 115 Cb 0.19 -0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 31.68 1g1i h LYS 115 CO -0.00 0.63 0.34 1.25 -2.06 0.00 0.00 179.45 179.61 1g1i h LEU 116 N 0.74 0.71 -1.01 2.94 5.85 -1.64 -2.18 115.31 120.72 1g1i h LEU 116 Ca 0.18 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1g1i h LEU 116 Cb 0.17 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1g1i h LEU 116 CO -0.02 0.57 0.14 0.71 -0.34 0.00 0.00 178.44 179.51 1g1i h THR 117 N 0.79 1.23 -0.72 1.05 1.35 -0.64 -1.81 112.91 114.16 1g1i h THR 117 Ca 0.21 -0.82 -0.07 0.00 -0.55 0.00 0.00 66.41 65.18 1g1i h THR 117 Cb 0.00 0.64 -0.03 0.00 -1.73 0.00 0.00 68.15 67.03 1g1i h THR 117 CO -0.04 0.31 0.18 0.74 -0.25 0.00 0.00 175.52 176.46 1g1i h THR 118 N 0.83 1.26 -0.07 6.82 2.02 -1.20 -2.73 112.91 119.84 1g1i h THR 118 Ca 0.18 -0.96 -0.10 0.00 0.77 0.00 0.00 66.41 66.30 1g1i h THR 118 Cb 0.29 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1g1i h THR 118 CO -0.00 0.37 -0.41 0.03 0.37 0.00 0.00 175.52 175.88 1g1i h ARG 119 N 1.08 0.16 -0.32 6.66 3.08 -0.95 -2.68 114.38 121.41 1g1i h ARG 119 Ca 0.23 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 1g1i h ARG 119 Cb 0.36 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1g1i h ARG 119 CO 0.00 0.55 -0.03 0.93 -1.07 0.00 0.00 179.97 180.35 1g1i h GLU 120 N 0.14 0.51 -0.79 0.04 4.39 -1.05 -1.90 114.58 115.91 1g1i h GLU 120 Ca 0.01 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1g1i h GLU 120 Cb 0.79 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.33 1g1i h GLU 120 CO 0.06 0.56 0.34 0.82 -1.16 0.00 0.00 179.01 179.63 1g1i h ILE 121 N 0.48 1.26 -0.60 3.13 2.04 -1.23 -1.02 117.51 121.56 1g1i h ILE 121 Ca 0.10 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1g1i h ILE 121 Cb 0.37 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1g1i h ILE 121 CO 0.01 0.32 0.27 -0.33 0.00 0.00 0.00 178.15 178.43 1g1i h GLU 122 N 1.14 0.87 -0.48 2.37 4.39 -1.26 -2.02 114.58 119.60 1g1i h GLU 122 Ca 0.27 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1g1i h GLU 122 Cb 0.17 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1g1i h GLU 122 CO -0.03 0.72 0.29 1.96 -1.16 0.00 0.00 179.01 180.79 1g1i h GLN 123 N 0.82 0.65 -0.64 2.33 4.20 -0.76 0.81 115.11 122.52 1g1i h GLN 123 Ca 0.20 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1g1i h GLN 123 Cb 0.15 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1g1i h GLN 123 CO -0.02 0.48 0.31 -0.24 -0.67 0.00 0.00 178.83 178.69 1g1i h VAL 124 N 0.64 1.22 -0.62 -0.54 3.04 -1.08 0.14 116.25 119.04 1g1i h VAL 124 Ca 0.17 -0.61 -0.08 0.00 -1.01 0.00 0.00 66.70 65.17 1g1i h VAL 124 Cb -0.00 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 29.70 1g1i h VAL 124 CO -0.03 0.25 0.07 -0.33 -1.01 0.00 0.00 177.57 176.52 1g1i h GLU 125 N 0.88 1.04 -0.20 4.17 4.39 -1.03 -1.56 114.58 122.27 1g1i h GLU 125 Ca 0.22 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 1g1i h GLU 125 Cb 0.11 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1g1i h GLU 125 CO -0.03 0.97 -0.43 1.25 -1.16 0.00 0.00 179.01 179.61 1g1i h LEU 126 N 0.97 0.52 -0.59 1.33 5.85 -0.37 -2.52 115.31 120.50 1g1i h LEU 126 Ca 0.19 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1g1i h LEU 126 Cb 0.46 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1g1i h LEU 126 CO 0.02 0.89 0.04 -0.07 -0.34 0.00 0.00 178.44 178.97 1g1i h LEU 127 N 0.40 0.98 -0.85 2.25 3.38 -0.37 -1.44 115.31 119.66 1g1i h LEU 127 Ca 0.03 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1g1i h LEU 127 Cb 0.92 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1g1i h LEU 127 CO 0.08 1.03 0.47 0.11 0.09 0.00 0.00 178.44 180.22 1g1i h LYS 128 N 0.91 1.18 -0.69 1.13 1.57 -1.12 -0.21 116.57 119.33 1g1i h LYS 128 Ca 0.17 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1g1i h LYS 128 Cb 0.50 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1g1i h LYS 128 CO 0.02 0.86 0.21 0.00 -0.57 0.00 0.00 179.45 179.97 1g1i h ARG 129 N 1.18 1.09 -0.45 3.15 3.08 -1.15 -1.45 114.38 119.83 1g1i h ARG 129 Ca 0.30 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1g1i h ARG 129 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1g1i h ARG 129 CO -0.05 0.94 0.19 0.82 -1.07 0.00 0.00 179.97 180.81 1g1i h ILE 130 N 1.02 1.20 -0.52 2.04 2.04 -0.81 -2.26 117.51 120.23 1g1i h ILE 130 Ca 0.22 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1g1i h ILE 130 Cb 0.32 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1g1i h ILE 130 CO -0.00 0.22 0.33 0.22 0.00 0.00 0.00 178.15 178.91 1g1i h TYR 131 N 0.58 0.62 -0.58 1.37 3.20 -0.75 -2.25 116.97 119.16 1g1i h TYR 131 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1g1i h TYR 131 Cb 0.17 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1g1i h TYR 131 CO -0.00 0.37 0.36 -0.44 -1.64 0.00 0.00 178.16 176.81 1g1i h ASP 132 N 0.66 0.68 0.29 -2.11 3.32 -1.05 0.99 116.42 119.19 1g1i h ASP 132 Ca 0.20 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1g1i h ASP 132 Cb -0.04 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1g1i h ASP 132 CO -0.06 0.51 0.00 0.29 -1.72 0.00 0.00 179.24 178.26 1g1i n LYS 133 N -4.43 0.13 -0.02 3.56 4.01 -0.86 -1.41 118.16 119.14 1g1i n LYS 133 Ca 0.05 0.51 0.06 0.00 -0.51 0.00 0.00 58.31 58.43 1g1i n LYS 133 Cb 0.06 -1.83 0.06 0.00 -0.51 0.00 0.00 35.03 32.82 1g1i n LYS 133 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1g1i n LEU 134 N -2.09 2.13 -4.39 -0.35 4.77 0.29 -4.95 117.00 112.41 1g1i n LEU 134 Ca 0.00 -1.13 -0.35 0.00 -0.03 0.00 0.00 56.01 54.50 1g1i n LEU 134 Cb 0.11 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 1g1i n LEU 134 CO 0.12 0.42 -0.34 0.42 -1.33 0.00 0.00 177.39 176.68 1g1i s THR 135 N -1.01 3.81 -0.37 -5.08 -4.23 -0.50 -5.04 115.64 103.23 1g1i s THR 135 Ca 0.15 -0.35 -0.39 0.00 -1.18 0.00 0.00 61.69 59.92 1g1i s THR 135 Cb 0.10 -2.74 -0.15 0.00 1.34 0.00 0.00 72.50 71.05 1g1i s THR 135 CO 0.15 0.40 2.01 0.52 -0.54 0.00 0.00 174.62 177.17 1g1i n VAL 136 N 4.62 0.17 0.93 2.29 0.31 -1.26 -4.94 118.33 120.45 1g1i n VAL 136 Ca -0.17 -0.12 0.11 0.00 -0.01 0.00 0.00 64.34 64.15 1g1i n VAL 136 Cb 0.51 -1.18 0.09 0.00 -0.91 0.00 0.00 33.84 32.35 1g1i n VAL 136 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51