#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1j h GLU 96 N 0.00 0.00 -0.35 9.51 -0.00 -2.05 -1.58 114.58 120.12 1g1j h GLU 96 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.20 1g1j h GLU 96 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 1g1j h GLU 96 CO 0.00 0.16 -0.40 0.87 -0.00 0.00 0.00 179.01 179.64 1g1j h LYS 97 N 0.00 0.85 -0.21 1.06 1.79 -2.06 -1.91 116.57 116.09 1g1j h LYS 97 Ca -0.00 -0.45 -0.18 0.00 -2.18 0.00 0.00 60.65 57.84 1g1j h LYS 97 Cb 0.42 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1g1j h LYS 97 CO 0.02 1.09 -0.58 1.96 -1.08 0.00 0.00 179.45 180.86 1g1j h GLN 98 N 0.69 0.77 -0.05 3.15 1.08 -1.81 -2.54 115.11 116.40 1g1j h GLN 98 Ca 0.05 -0.54 -0.06 0.00 -1.45 0.00 0.00 58.65 56.65 1g1j h GLN 98 Cb 0.97 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 1g1j h GLN 98 CO 0.09 1.16 -0.27 1.98 -0.95 0.00 0.00 178.83 180.84 1g1j h MET 99 N 0.50 0.08 -0.37 1.46 1.85 -1.31 -1.05 114.93 116.09 1g1j h MET 99 Ca -0.01 -0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.01 1g1j h MET 99 Cb 1.20 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.20 1g1j h MET 99 CO 0.12 0.35 0.08 0.22 -0.40 0.00 0.00 176.91 177.28 1g1j h ASP 100 N 0.08 0.58 0.01 1.39 3.58 -1.24 -1.33 116.42 119.49 1g1j h ASP 100 Ca 0.01 -0.25 -0.09 0.00 0.42 0.00 0.00 57.03 57.13 1g1j h ASP 100 Cb 0.53 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1g1j h ASP 100 CO 0.04 0.68 -0.26 0.03 -2.88 0.00 0.00 179.24 176.85 1g1j h ARG 101 N 0.46 0.39 -0.26 0.28 3.08 -0.96 -2.34 114.38 115.02 1g1j h ARG 101 Ca 0.12 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 1g1j h ARG 101 Cb 0.33 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1g1j h ARG 101 CO 0.00 0.62 -0.06 0.28 -1.07 0.00 0.00 179.97 179.75 1g1j h VAL 102 N 0.35 1.28 -0.46 2.04 2.07 -0.88 -0.80 116.25 119.85 1g1j h VAL 102 Ca 0.05 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1g1j h VAL 102 Cb 0.64 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1g1j h VAL 102 CO 0.05 0.33 0.28 0.58 0.02 0.00 0.00 177.57 178.83 1g1j h VAL 103 N 0.24 1.14 -0.28 2.57 2.07 -1.14 -0.10 116.25 120.75 1g1j h VAL 103 Ca 0.07 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1g1j h VAL 103 Cb 0.52 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1g1j h VAL 103 CO 0.02 0.14 0.14 0.50 0.02 0.00 0.00 177.57 178.40 1g1j h LYS 104 N 0.61 0.40 -0.56 1.57 3.64 -1.35 -1.97 116.57 118.91 1g1j h LYS 104 Ca 0.17 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1g1j h LYS 104 Cb -0.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1g1j h LYS 104 CO -0.03 0.38 0.04 1.49 -2.27 0.00 0.00 179.45 179.06 1g1j h GLU 105 N 0.32 0.94 -0.54 1.90 4.57 -0.93 -1.20 114.58 119.64 1g1j h GLU 105 Ca 0.10 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1g1j h GLU 105 Cb 0.10 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1g1j h GLU 105 CO -0.01 0.90 0.28 0.52 -1.18 0.00 0.00 179.01 179.52 1g1j h MET 106 N 0.87 0.75 -0.09 1.92 2.86 -0.84 0.10 114.93 120.51 1g1j h MET 106 Ca 0.17 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1g1j h MET 106 Cb 0.45 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1g1j h MET 106 CO 0.02 0.59 -0.39 0.00 1.06 0.00 0.00 176.91 178.20 1g1j h ARG 107 N 0.72 0.19 -0.15 1.72 3.08 -1.15 -0.12 114.38 118.67 1g1j h ARG 107 Ca 0.19 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1g1j h ARG 107 Cb 0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1g1j h ARG 107 CO -0.03 0.55 -0.12 -0.09 -1.07 0.00 0.00 179.97 179.22 1g1j h ARG 108 N 0.16 0.34 0.00 0.04 2.43 -0.79 -2.27 114.38 114.29 1g1j h ARG 108 Ca 0.02 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 1g1j h ARG 108 Cb 0.76 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1g1j h ARG 108 CO 0.06 0.70 -0.30 1.96 -1.51 0.00 0.00 179.97 180.88 1g1j h GLN 109 N -0.02 0.00 -0.08 0.20 4.20 -0.81 -2.55 115.11 116.05 1g1j h GLN 109 Ca 0.03 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 1g1j h GLN 109 Cb 0.63 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1g1j h GLN 109 CO 0.03 0.30 -0.58 -0.07 -0.67 0.00 0.00 178.83 177.84 1g1j h LEU 110 N 0.00 0.30 -1.53 1.46 3.38 -0.92 -1.78 115.31 116.22 1g1j h LEU 110 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1g1j h LEU 110 Cb 0.54 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1g1j h LEU 110 CO 0.04 0.81 0.00 1.21 0.09 0.00 0.00 178.44 180.59 1g1j n GLU 111 N -3.90 0.10 0.00 1.13 2.13 -0.86 -0.50 120.64 118.74 1g1j n GLU 111 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1g1j n GLU 111 Cb 0.60 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 31.05 1g1j n GLU 111 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1g1j n ILE 113 N 0.71 0.00 -0.15 6.31 5.41 -0.67 -1.88 119.36 129.09 1g1j n ILE 113 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 1g1j n ILE 113 Cb 0.04 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.96 1g1j n ILE 113 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1g1j h ASP 114 N 0.00 0.73 -0.58 4.38 3.58 -1.07 -0.36 116.42 123.11 1g1j h ASP 114 Ca 0.00 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.11 1g1j h ASP 114 Cb 0.00 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 1g1j h ASP 114 CO 0.00 0.85 0.17 0.11 -2.88 0.00 0.00 179.24 177.48 1g1j h LYS 115 N 0.60 0.91 -0.51 0.28 6.56 -1.63 -2.42 116.57 120.36 1g1j h LYS 115 Ca 0.13 -0.20 0.02 0.00 -1.06 0.00 0.00 60.65 59.53 1g1j h LYS 115 Cb 0.46 -0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 31.96 1g1j h LYS 115 CO 0.02 0.83 0.32 1.25 -2.06 0.00 0.00 179.45 179.80 1g1j h LEU 116 N 0.82 0.53 -0.74 2.94 5.85 -1.78 -1.59 115.31 121.34 1g1j h LEU 116 Ca 0.18 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1g1j h LEU 116 Cb 0.31 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1g1j h LEU 116 CO -0.00 0.38 0.41 0.74 -0.34 0.00 0.00 178.44 179.63 1g1j h THR 117 N 0.64 0.95 -0.52 1.05 2.02 -0.69 -0.38 112.91 115.98 1g1j h THR 117 Ca 0.20 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1g1j h THR 117 Cb -0.01 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 1g1j h THR 117 CO -0.07 0.14 0.21 0.74 0.37 0.00 0.00 175.52 176.90 1g1j h THR 118 N 0.74 1.21 -0.77 3.16 2.02 -0.94 -2.62 112.91 115.71 1g1j h THR 118 Ca 0.34 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 1g1j h THR 118 Cb 0.25 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1g1j h THR 118 CO -0.21 0.25 0.35 0.03 0.37 0.00 0.00 175.52 176.31 1g1j h ARG 119 N 0.69 1.12 -0.25 6.66 2.47 -0.62 -2.58 114.38 121.87 1g1j h ARG 119 Ca 0.17 -0.17 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1g1j h ARG 119 Cb 0.19 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1g1j h ARG 119 CO -0.01 0.88 -0.13 0.93 0.56 0.00 0.00 179.97 182.19 1g1j h GLU 120 N 1.11 0.42 -0.55 0.04 4.39 -0.86 -2.22 114.58 116.90 1g1j h GLU 120 Ca 0.26 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1g1j h GLU 120 Cb 0.14 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1g1j h GLU 120 CO -0.03 0.55 0.33 0.82 -1.16 0.00 0.00 179.01 179.52 1g1j h ILE 121 N 0.39 1.17 -0.75 3.13 2.04 -1.10 -1.95 117.51 120.44 1g1j h ILE 121 Ca 0.07 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1g1j h ILE 121 Cb 0.47 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1g1j h ILE 121 CO 0.03 0.18 0.49 -0.33 0.00 0.00 0.00 178.15 178.51 1g1j h GLU 122 N 0.75 0.95 -0.85 2.37 4.39 -1.25 -1.84 114.58 119.11 1g1j h GLU 122 Ca 0.20 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.86 1g1j h GLU 122 Cb 0.00 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.39 1g1j h GLU 122 CO -0.04 0.63 0.55 1.96 -1.16 0.00 0.00 179.01 180.96 1g1j h GLN 123 N 0.98 1.07 -0.32 2.33 4.20 -0.97 0.72 115.11 123.12 1g1j h GLN 123 Ca 0.29 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1g1j h GLN 123 Cb -0.06 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.46 1g1j h GLN 123 CO -0.08 0.71 0.12 0.28 -0.67 0.00 0.00 178.83 179.19 1g1j h VAL 124 N 1.10 1.19 -0.43 -0.54 2.07 -0.81 0.36 116.25 119.19 1g1j h VAL 124 Ca 0.32 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1g1j h VAL 124 Cb -0.06 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1g1j h VAL 124 CO -0.09 0.20 0.04 -0.33 0.02 0.00 0.00 177.57 177.41 1g1j h GLU 125 N 0.36 0.67 -0.35 1.57 4.39 -0.88 -1.57 114.58 118.77 1g1j h GLU 125 Ca 0.11 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 1g1j h GLU 125 Cb 0.20 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1g1j h GLU 125 CO -0.01 0.66 -0.38 1.25 -1.16 0.00 0.00 179.01 179.37 1g1j h LEU 126 N 0.64 0.90 -0.61 1.33 5.85 -0.54 -2.59 115.31 120.29 1g1j h LEU 126 Ca 0.14 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1g1j h LEU 126 Cb 0.34 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1g1j h LEU 126 CO 0.01 1.17 0.29 -0.07 -0.34 0.00 0.00 178.44 179.50 1g1j h LEU 127 N 0.69 0.80 -1.03 2.25 3.38 -0.46 -1.26 115.31 119.68 1g1j h LEU 127 Ca 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1g1j h LEU 127 Cb 0.96 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1g1j h LEU 127 CO 0.09 0.72 0.32 0.11 0.09 0.00 0.00 178.44 179.76 1g1j h LYS 128 N 0.83 1.00 -0.57 1.13 1.57 -1.22 -1.08 116.57 118.24 1g1j h LYS 128 Ca 0.21 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1g1j h LYS 128 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1g1j h LYS 128 CO -0.02 0.79 -0.04 0.00 -0.57 0.00 0.00 179.45 179.60 1g1j h ARG 129 N 1.00 1.02 -0.60 3.15 3.08 -1.05 -2.08 114.38 118.89 1g1j h ARG 129 Ca 0.24 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 1g1j h ARG 129 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1g1j h ARG 129 CO -0.03 1.02 -0.00 0.82 -1.07 0.00 0.00 179.97 180.71 1g1j h ILE 130 N 0.92 1.27 -0.42 2.04 2.04 -0.85 -2.76 117.51 119.74 1g1j h ILE 130 Ca 0.16 -1.16 -0.08 0.00 1.00 0.00 0.00 64.86 64.78 1g1j h ILE 130 Cb 0.59 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1g1j h ILE 130 CO 0.04 0.42 -0.06 0.22 0.00 0.00 0.00 178.15 178.76 1g1j h TYR 131 N 0.96 0.78 0.00 1.37 3.20 -1.02 -2.63 116.97 119.63 1g1j h TYR 131 Ca 0.17 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 1g1j h TYR 131 Cb 0.57 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1g1j h TYR 131 CO 0.04 0.76 -0.25 -0.44 -1.64 0.00 0.00 178.16 176.64 1g1j h ASP 132 N 0.67 0.00 0.93 -2.11 3.32 -1.18 -1.42 116.42 116.63 1g1j h ASP 132 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1g1j h ASP 132 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1g1j h ASP 132 CO 0.03 0.25 0.00 0.29 -1.72 0.00 0.00 179.24 178.08 1g1j n LYS 133 N -3.70 0.20 -0.05 3.56 4.76 -1.00 -2.58 118.16 119.36 1g1j n LYS 133 Ca -0.01 0.35 0.08 0.00 -2.87 0.00 0.00 58.31 55.86 1g1j n LYS 133 Cb 0.36 -1.83 0.09 0.00 -1.84 0.00 0.00 35.03 31.81 1g1j n LYS 133 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1g1j n LEU 134 N -2.20 2.53 -4.40 -0.35 4.77 -0.56 -4.95 117.00 111.84 1g1j n LEU 134 Ca 0.03 -1.18 -0.33 0.00 -0.03 0.00 0.00 56.01 54.51 1g1j n LEU 134 Cb 0.28 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.17 1g1j n LEU 134 CO 0.22 0.49 -0.45 0.42 -1.33 0.00 0.00 177.39 176.75 1g1j s THR 135 N -1.29 3.07 0.39 -5.08 -4.23 -1.07 -5.09 115.64 102.35 1g1j s THR 135 Ca 0.22 -0.67 -0.27 0.00 -1.18 0.00 0.00 61.69 59.78 1g1j s THR 135 Cb 0.14 -2.27 -0.10 0.00 1.34 0.00 0.00 72.50 71.62 1g1j s THR 135 CO 0.21 0.54 1.42 0.54 -0.54 0.00 0.00 174.62 176.79 1g1j s VAL 136 N 0.04 2.24 0.00 2.29 0.11 -1.26 -4.95 120.40 118.87 1g1j s VAL 136 Ca -0.05 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1g1j s VAL 136 Cb -0.14 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 1g1j s VAL 136 CO 0.04 0.05 0.00 0.00 -3.33 0.00 0.00 175.10 171.86