#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqg n LEU 88 N 0.00 -2.16 0.00 3.14 4.32 -1.26 -4.68 117.00 116.36 1iqg n LEU 88 Ca 0.00 -0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.14 1iqg n LEU 88 Cb 0.00 -1.08 0.87 0.00 -1.62 0.00 0.00 43.42 41.59 1iqg n LEU 88 CO 0.00 -0.04 1.05 0.00 -1.22 0.00 0.00 177.39 177.18 1iqg n SER 90 N -1.06 2.30 0.01 0.00 3.41 -1.26 -2.86 113.62 114.15 1iqg n SER 90 Ca 0.21 -1.65 -0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1iqg n SER 90 Cb 0.13 0.31 -0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1iqg n SER 90 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1iqg h LEU 91 N 3.12 -0.02 -5.36 1.04 7.12 -1.80 -3.43 115.31 115.98 1iqg h LEU 91 Ca 0.00 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.67 1iqg h LEU 91 Cb 0.82 0.01 -0.27 0.00 -0.53 0.00 0.00 40.66 40.69 1iqg h LEU 91 CO 0.00 -0.01 -0.78 -0.67 -0.13 0.00 0.00 178.44 176.85 1iqg n ASP 92 N -2.09 -0.75 -1.38 1.25 2.03 -1.26 -4.88 116.55 109.46 1iqg n ASP 92 Ca -0.00 -3.20 -0.17 0.00 0.52 0.00 0.00 54.79 51.94 1iqg n ASP 92 Cb 0.01 0.65 -0.07 0.00 -0.72 0.00 0.00 41.12 40.98 1iqg n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1iqg n ASN 93 N 0.17 -4.94 -0.21 1.67 5.15 -1.14 -0.01 115.26 115.97 1iqg n ASN 93 Ca 0.12 0.41 -0.03 0.00 -0.60 0.00 0.00 54.58 54.49 1iqg n ASN 93 Cb 0.72 -4.25 -0.01 0.00 -0.53 0.00 0.00 39.78 35.70 1iqg n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iqg n GLY 94 N -0.22 0.54 2.31 8.20 0.00 -1.24 -2.37 105.19 112.41 1iqg n GLY 94 Ca -0.17 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 1iqg n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iqg n ASP 95 N -0.05 -4.18 -4.86 1.61 2.03 0.99 -5.01 116.55 107.07 1iqg n ASP 95 Ca -0.03 0.18 -0.31 0.00 0.52 0.00 0.00 54.79 55.15 1iqg n ASP 95 Cb 0.22 -2.30 -0.04 0.00 -0.72 0.00 0.00 41.12 38.28 1iqg n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqg h ASP 97 N 1.41 0.79 0.00 0.00 3.45 -1.83 -3.47 116.42 116.76 1iqg h ASP 97 Ca -0.47 -0.54 0.00 0.00 0.43 0.00 0.00 57.03 56.44 1iqg h ASP 97 Cb 1.18 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 1iqg h ASP 97 CO 0.64 1.33 0.00 0.00 -1.57 0.00 0.00 179.24 179.64 1iqg n GLN 98 N -3.88 0.00 -1.68 3.56 6.02 -1.26 -5.01 117.38 115.13 1iqg n GLN 98 Ca -0.07 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.47 1iqg n GLN 98 Cb 0.76 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.99 1iqg n GLN 98 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1iqg n PHE 99 N 0.00 2.30 -4.68 1.08 3.72 -0.95 -4.89 117.46 114.04 1iqg n PHE 99 Ca 0.00 0.30 -0.26 0.00 -0.05 0.00 0.00 57.45 57.44 1iqg n PHE 99 Cb 0.00 -2.53 -0.17 0.00 -0.94 0.00 0.00 39.48 35.84 1iqg n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iqg s HIS 101 N 0.63 0.84 -0.26 0.00 3.76 -0.41 -4.97 115.29 114.87 1iqg s HIS 101 Ca -0.15 -0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 54.43 1iqg s HIS 101 Cb -0.16 -0.52 -0.05 0.00 1.11 0.00 0.00 32.58 32.96 1iqg s HIS 101 CO 0.04 -0.01 0.16 -1.21 -0.85 0.00 0.00 174.74 172.87 1iqg s GLU 102 N -0.57 3.92 -0.78 1.40 2.02 -1.26 0.15 118.70 123.58 1iqg s GLU 102 Ca 0.01 -0.34 -0.14 0.00 0.02 0.00 0.00 54.97 54.52 1iqg s GLU 102 Cb -0.05 -3.56 0.20 0.00 0.10 0.00 0.00 34.13 30.82 1iqg s GLU 102 CO 0.00 -0.12 0.73 -2.00 0.02 0.00 0.00 175.26 173.90 1iqg s GLU 103 N 1.54 3.51 0.00 1.61 2.12 -0.19 -4.90 118.70 122.38 1iqg s GLU 103 Ca 0.07 -2.33 0.00 0.00 0.36 0.00 0.00 54.97 53.07 1iqg s GLU 103 Cb -0.15 -4.41 0.00 0.00 0.26 0.00 0.00 34.13 29.82 1iqg s GLU 103 CO 0.08 -1.30 0.00 0.00 -0.54 0.00 0.00 175.26 173.50 1iqg n GLN 104 N 4.21 0.00 0.00 4.30 0.00 -1.26 -3.01 117.38 121.63 1iqg n GLN 104 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.10 1iqg n GLN 104 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.70 1iqg n GLN 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1iqg n ASN 105 N 0.00 0.00 -1.94 2.61 6.94 -1.26 -4.87 115.26 116.74 1iqg n ASN 105 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1iqg n ASN 105 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1iqg n ASN 105 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1iqg n SER 106 N 0.00 0.00 -4.93 0.53 7.64 -1.16 -2.18 113.62 113.51 1iqg n SER 106 Ca 0.00 -0.56 -0.28 0.00 1.01 0.00 0.00 58.87 59.04 1iqg n SER 106 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1iqg n SER 106 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1iqg s VAL 107 N 0.20 5.31 -0.22 0.44 -7.23 -1.26 -1.03 120.40 116.62 1iqg s VAL 107 Ca 0.00 -0.51 -0.02 0.00 -1.81 0.00 0.00 61.98 59.64 1iqg s VAL 107 Cb 0.00 -3.71 0.06 0.00 0.56 0.00 0.00 36.38 33.30 1iqg s VAL 107 CO 0.00 -0.04 0.02 -0.69 -0.31 0.00 0.00 175.10 174.08 1iqg s VAL 108 N -1.70 0.79 0.33 1.32 1.01 0.40 -4.84 120.40 117.71 1iqg s VAL 108 Ca 0.36 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1iqg s VAL 108 Cb -0.12 -1.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.91 1iqg s VAL 108 CO 0.28 -0.23 0.71 0.00 0.00 0.00 0.00 175.10 175.86 1iqg s SER 110 N -2.50 -0.05 0.12 0.00 1.04 -0.55 -4.94 113.70 106.82 1iqg s SER 110 Ca 0.52 -0.91 0.05 0.00 0.48 0.00 0.00 55.95 56.09 1iqg s SER 110 Cb -0.10 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1iqg s SER 110 CO 0.21 -1.03 -0.12 0.00 0.98 0.00 0.00 173.24 173.29 1iqg s ALA 112 N -2.39 -0.08 0.12 0.00 0.00 -1.26 -4.81 121.76 113.33 1iqg s ALA 112 Ca 0.08 0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 1iqg s ALA 112 Cb -0.03 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1iqg s ALA 112 CO 0.02 -3.64 1.78 1.03 0.00 0.00 0.00 175.76 174.94 1iqg s ARG 113 N -4.49 4.15 0.00 0.00 3.00 -1.26 -2.06 118.95 118.29 1iqg s ARG 113 Ca 0.68 2.53 0.00 0.00 0.00 0.00 0.00 55.73 58.94 1iqg s ARG 113 Cb -0.25 -3.55 0.00 0.00 0.00 0.00 0.00 34.95 31.15 1iqg s ARG 113 CO 0.63 -0.81 0.00 0.41 0.00 0.00 0.00 175.30 175.54 1iqg n GLY 114 N 4.15 0.84 3.37 -3.53 0.00 -1.26 -4.69 105.19 104.08 1iqg n GLY 114 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1iqg n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqg s TYR 115 N -2.00 1.77 -0.02 1.61 1.51 -0.88 -2.46 117.35 116.89 1iqg s TYR 115 Ca 0.00 -0.67 0.03 0.00 -1.01 0.00 0.00 57.07 55.42 1iqg s TYR 115 Cb 0.00 -0.93 -0.00 0.00 -0.11 0.00 0.00 41.96 40.92 1iqg s TYR 115 CO 0.00 0.27 -0.09 0.95 -1.11 0.00 0.00 175.55 175.57 1iqg s THR 116 N -3.05 0.74 0.21 -0.71 -4.23 -0.37 -4.86 115.64 103.37 1iqg s THR 116 Ca 0.26 -0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 60.09 1iqg s THR 116 Cb 0.02 -0.64 -0.09 0.00 1.34 0.00 0.00 72.50 73.13 1iqg s THR 116 CO 0.09 0.22 1.41 -0.22 -0.54 0.00 0.00 174.62 175.58 1iqg s LEU 117 N -0.03 4.39 1.34 4.79 2.96 -1.26 -0.96 118.68 129.92 1iqg s LEU 117 Ca 0.01 2.55 -0.22 0.00 -0.22 0.00 0.00 54.13 56.25 1iqg s LEU 117 Cb -0.06 -3.61 0.34 0.00 0.50 0.00 0.00 46.19 43.36 1iqg s LEU 117 CO -0.00 -0.66 1.00 0.00 -1.32 0.00 0.00 176.35 175.37 1iqg s ALA 118 N 0.28 -0.21 0.24 5.97 0.00 0.10 -4.88 121.76 123.26 1iqg s ALA 118 Ca 0.60 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.74 1iqg s ALA 118 Cb -0.40 -2.91 0.26 0.00 0.00 0.00 0.00 23.12 20.07 1iqg s ALA 118 CO 0.39 -4.23 1.56 -0.44 0.00 0.00 0.00 175.76 173.04 1iqg h ASP 119 N -3.12 0.16 0.00 0.00 5.19 -1.94 -2.59 116.42 114.13 1iqg h ASP 119 Ca -0.44 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1iqg h ASP 119 Cb 1.32 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1iqg h ASP 119 CO 0.30 0.76 0.00 -0.46 -3.12 0.00 0.00 179.24 176.71 1iqg n ASN 120 N -3.82 0.00 -1.41 6.45 0.23 -1.26 -4.79 115.26 110.66 1iqg n ASN 120 Ca -0.02 -0.57 -0.18 0.00 -0.53 0.00 0.00 54.58 53.28 1iqg n ASN 120 Cb 0.64 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.26 1iqg n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1iqg n GLY 121 N -0.13 1.79 1.41 4.83 0.00 -0.97 -4.78 105.19 107.32 1iqg n GLY 121 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1iqg n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iqg n LYS 122 N -2.34 0.00 -1.27 1.61 5.02 -1.26 -4.23 118.16 115.69 1iqg n LYS 122 Ca -0.18 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.78 1iqg n LYS 122 Cb 0.62 -0.31 0.10 0.00 -0.02 0.00 0.00 35.03 35.42 1iqg n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iqg s ALA 123 N -2.00 2.09 -0.07 7.82 0.00 -1.26 -2.63 121.76 125.71 1iqg s ALA 123 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 51.96 52.54 1iqg s ALA 123 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 1iqg s ALA 123 CO 0.00 -1.92 -0.21 0.00 0.00 0.00 0.00 175.76 173.63 1iqg s ILE 125 N -0.17 1.92 0.66 0.00 1.01 -0.13 -4.91 121.20 119.59 1iqg s ILE 125 Ca -0.03 -1.00 -0.16 0.00 0.00 0.00 0.00 60.65 59.46 1iqg s ILE 125 Cb -0.14 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.71 1iqg s ILE 125 CO 0.04 0.54 1.16 -2.84 0.00 0.00 0.00 174.94 173.84 1iqg s PRO 126 N -0.18 2.66 -0.02 2.79 0.02 -1.26 -1.24 135.00 137.76 1iqg s PRO 126 Ca -0.02 1.63 0.12 0.00 0.02 0.00 0.00 61.00 62.74 1iqg s PRO 126 Cb -0.13 -1.91 -0.18 0.00 0.02 0.00 0.00 34.50 32.31 1iqg s PRO 126 CO 0.03 -1.41 0.24 0.25 -0.33 0.00 0.00 177.00 175.78 1iqg n THR 127 N -2.25 0.07 -4.34 0.99 -2.24 -1.03 -4.83 114.28 100.64 1iqg n THR 127 Ca 0.12 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.46 1iqg n THR 127 Cb 0.51 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 1iqg n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqg n GLY 128 N 1.88 3.74 0.03 3.38 0.00 -1.26 -5.06 105.19 107.90 1iqg n GLY 128 Ca -0.04 -2.16 0.12 0.00 0.00 0.00 0.00 46.02 43.94 1iqg n GLY 128 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iqg n PRO 129 N -0.60 0.11 -3.27 1.61 -0.04 -1.26 -4.41 135.00 127.14 1iqg n PRO 129 Ca -0.07 0.04 -0.25 0.00 -0.04 0.00 0.00 63.50 63.17 1iqg n PRO 129 Cb 0.34 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 32.16 1iqg n PRO 129 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1iqg n TYR 130 N -1.74 1.94 -2.17 0.54 4.01 -1.26 -5.10 117.16 113.39 1iqg n TYR 130 Ca 0.05 -3.90 -0.38 0.00 -0.16 0.00 0.00 57.90 53.51 1iqg n TYR 130 Cb 0.37 -0.47 -0.01 0.00 -0.31 0.00 0.00 39.34 38.93 1iqg n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1iqg s PRO 131 N -2.09 3.84 0.55 -0.72 0.04 -1.26 -4.97 135.00 130.40 1iqg s PRO 131 Ca 0.39 1.94 -0.21 0.00 0.04 0.00 0.00 61.00 63.16 1iqg s PRO 131 Cb 0.18 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1iqg s PRO 131 CO -0.06 -0.53 1.33 0.00 0.04 0.00 0.00 177.00 177.78 1iqg n GLY 133 N 0.72 0.88 3.48 0.00 0.00 -1.26 -5.03 105.19 103.98 1iqg n GLY 133 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1iqg n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqg s LYS 134 N -0.00 3.66 0.23 1.61 -0.14 -1.19 -5.07 119.74 118.84 1iqg s LYS 134 Ca 0.00 -0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 53.79 1iqg s LYS 134 Cb 0.00 -2.98 -0.10 0.00 -1.68 0.00 0.00 37.83 33.07 1iqg s LYS 134 CO 0.00 0.16 1.45 -0.65 -0.76 0.00 0.00 175.35 175.55 1iqg s GLN 135 N 0.60 4.27 -0.74 1.68 -0.21 -1.26 -4.92 119.66 119.07 1iqg s GLN 135 Ca -0.02 2.29 -0.21 0.00 0.02 0.00 0.00 55.36 57.45 1iqg s GLN 135 Cb -0.14 -3.12 0.10 0.00 1.00 0.00 0.00 33.01 30.84 1iqg s GLN 135 CO 0.02 -0.44 0.98 0.95 -2.12 0.00 0.00 175.29 174.68 1iqg s THR 136 N 0.20 4.55 -1.22 -0.19 -4.23 -1.26 -5.15 115.64 108.34 1iqg s THR 136 Ca 0.61 -0.89 0.10 0.00 -1.18 0.00 0.00 61.69 60.32 1iqg s THR 136 Cb -0.42 -4.68 0.08 0.00 1.34 0.00 0.00 72.50 68.82 1iqg s THR 136 CO 0.41 -1.42 0.81 0.18 -0.54 0.00 0.00 174.62 174.06