#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqj n LEU 88 N 0.00 -2.62 -0.81 3.14 7.94 -1.26 -4.86 117.00 118.53 1iqj n LEU 88 Ca 0.00 0.34 0.04 0.00 -1.11 0.00 0.00 56.01 55.27 1iqj n LEU 88 Cb 0.00 -1.34 0.15 0.00 0.53 0.00 0.00 43.42 42.76 1iqj n LEU 88 CO 0.00 -0.59 0.55 0.00 -1.11 0.00 0.00 177.39 176.24 1iqj n SER 90 N 0.30 1.48 0.15 0.00 7.64 -1.26 -3.84 113.62 118.09 1iqj n SER 90 Ca 0.10 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.92 1iqj n SER 90 Cb 0.45 1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 64.87 1iqj n SER 90 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1iqj h LEU 91 N 0.00 -0.33 -5.57 -3.43 7.12 -1.89 -3.40 115.31 107.80 1iqj h LEU 91 Ca -0.21 0.01 -0.39 0.00 0.13 0.00 0.00 57.88 57.43 1iqj h LEU 91 Cb 1.33 0.09 -0.29 0.00 -0.53 0.00 0.00 40.66 41.26 1iqj h LEU 91 CO 0.01 -0.23 -0.86 -0.67 -0.13 0.00 0.00 178.44 176.55 1iqj n ASP 92 N -3.06 -0.72 -1.67 1.25 2.03 -1.26 -4.91 116.55 108.22 1iqj n ASP 92 Ca -0.05 -3.21 -0.15 0.00 0.52 0.00 0.00 54.79 51.90 1iqj n ASP 92 Cb 0.15 0.47 -0.05 0.00 -0.72 0.00 0.00 41.12 40.97 1iqj n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1iqj n ASN 93 N 0.65 -4.12 -0.02 1.67 5.15 -1.25 -0.06 115.26 117.28 1iqj n ASN 93 Ca 0.17 0.32 -0.00 0.00 -0.60 0.00 0.00 54.58 54.46 1iqj n ASN 93 Cb 0.65 -3.70 -0.00 0.00 -0.53 0.00 0.00 39.78 36.20 1iqj n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iqj n GLY 94 N -0.42 0.38 2.70 8.20 0.00 -1.23 -2.48 105.19 112.34 1iqj n GLY 94 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1iqj n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iqj n ASP 95 N -0.23 -1.65 -4.74 1.61 2.03 0.91 -5.01 116.55 109.48 1iqj n ASP 95 Ca -0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1iqj n ASP 95 Cb 0.14 -0.70 0.11 0.00 -0.72 0.00 0.00 41.12 39.95 1iqj n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqj h ASP 97 N -1.32 0.43 0.00 0.00 3.45 0.05 -3.48 116.42 115.55 1iqj h ASP 97 Ca -0.46 -0.90 0.00 0.00 0.43 0.00 0.00 57.03 56.10 1iqj h ASP 97 Cb 1.25 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.88 1iqj h ASP 97 CO 0.52 1.51 0.00 0.00 -1.57 0.00 0.00 179.24 179.70 1iqj n GLN 98 N -4.03 0.00 -0.71 3.56 6.02 -1.26 -5.01 117.38 115.95 1iqj n GLN 98 Ca -0.19 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.52 1iqj n GLN 98 Cb 0.86 0.00 0.24 0.00 1.02 0.00 0.00 30.24 32.36 1iqj n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1iqj s PHE 99 N 1.01 1.53 -0.25 1.08 0.08 -0.65 -4.96 117.98 115.83 1iqj s PHE 99 Ca 0.00 1.08 -0.21 0.00 0.12 0.00 0.00 56.93 57.93 1iqj s PHE 99 Cb 0.00 -3.14 0.07 0.00 -0.57 0.00 0.00 43.02 39.38 1iqj s PHE 99 CO 0.00 -3.69 0.64 0.00 -0.10 0.00 0.00 175.22 172.08 1iqj s HIS 101 N 0.60 -0.17 -1.25 0.00 3.76 -0.30 -4.98 115.29 112.94 1iqj s HIS 101 Ca -0.02 0.53 -0.14 0.00 -0.15 0.00 0.00 55.06 55.28 1iqj s HIS 101 Cb -0.05 -0.13 0.15 0.00 1.11 0.00 0.00 32.58 33.66 1iqj s HIS 101 CO -0.03 -0.20 1.58 0.39 -0.85 0.00 0.00 174.74 175.63 1iqj n GLU 102 N 4.52 3.36 -1.91 1.40 1.02 -1.26 0.18 120.64 127.95 1iqj n GLU 102 Ca -0.20 -3.66 -0.43 0.00 -0.02 0.00 0.00 57.16 52.85 1iqj n GLU 102 Cb 0.51 -3.11 -0.03 0.00 -0.02 0.00 0.00 31.44 28.79 1iqj n GLU 102 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1iqj s GLU 103 N 1.92 3.39 1.87 3.49 2.02 0.28 -4.72 118.70 126.95 1iqj s GLU 103 Ca 0.45 1.67 0.00 0.00 0.02 0.00 0.00 54.97 57.10 1iqj s GLU 103 Cb 0.01 -4.21 0.00 0.00 0.10 0.00 0.00 34.13 30.02 1iqj s GLU 103 CO 0.01 -1.79 0.00 0.00 0.02 0.00 0.00 175.26 173.50 1iqj n GLN 104 N 8.36 0.00 -0.01 1.61 10.64 -1.26 -1.70 117.38 135.02 1iqj n GLN 104 Ca 0.24 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.24 1iqj n GLN 104 Cb 0.46 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.72 1iqj n GLN 104 CO 0.00 0.00 0.00 -2.95 -1.83 0.00 0.00 177.06 172.28 1iqj h ASN 105 N 0.00 0.33 -4.41 2.61 -1.07 -2.01 -3.48 115.58 107.55 1iqj h ASN 105 Ca 0.00 -0.84 -0.09 0.00 0.07 0.00 0.00 56.30 55.44 1iqj h ASN 105 Cb 0.00 -0.10 0.01 0.00 -2.07 0.00 0.00 38.32 36.15 1iqj h ASN 105 CO 0.00 1.13 -0.01 -1.20 0.07 0.00 0.00 177.43 177.42 1iqj n SER 106 N -4.36 0.39 -4.55 6.14 7.64 -0.69 -4.51 113.62 113.68 1iqj n SER 106 Ca -0.11 -1.29 -0.31 0.00 1.01 0.00 0.00 58.87 58.18 1iqj n SER 106 Cb 0.62 -0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 1iqj n SER 106 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1iqj s VAL 107 N 0.23 3.33 -0.07 0.44 0.11 -1.26 -0.56 120.40 122.62 1iqj s VAL 107 Ca 0.12 -1.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1iqj s VAL 107 Cb -0.01 -2.48 0.03 0.00 -1.53 0.00 0.00 36.38 32.39 1iqj s VAL 107 CO 0.08 0.28 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.40 1iqj s VAL 108 N -1.06 0.55 0.56 2.04 1.01 0.48 -4.83 120.40 119.15 1iqj s VAL 108 Ca 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1iqj s VAL 108 Cb -0.11 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1iqj s VAL 108 CO 0.09 0.27 0.84 0.00 0.00 0.00 0.00 175.10 176.31 1iqj s SER 110 N -4.28 -0.37 0.43 0.00 1.04 -1.25 -4.96 113.70 104.30 1iqj s SER 110 Ca 0.53 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.87 1iqj s SER 110 Cb -0.10 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1iqj s SER 110 CO 0.43 -0.81 0.03 0.00 0.98 0.00 0.00 173.24 173.87 1iqj s ALA 112 N -2.95 3.38 -0.01 0.00 0.00 -1.26 -4.94 121.76 115.99 1iqj s ALA 112 Ca 0.22 -0.56 -0.36 0.00 0.00 0.00 0.00 51.96 51.27 1iqj s ALA 112 Cb 0.05 -2.59 -0.14 0.00 0.00 0.00 0.00 23.12 20.44 1iqj s ALA 112 CO 0.11 -0.46 1.65 0.54 0.00 0.00 0.00 175.76 177.60 1iqj n ARG 113 N -2.34 1.77 0.00 0.00 3.00 -1.26 -1.86 116.66 115.97 1iqj n ARG 113 Ca 0.02 0.64 0.00 0.00 -0.01 0.00 0.00 57.85 58.50 1iqj n ARG 113 Cb 0.56 -2.40 0.00 0.00 0.00 0.00 0.00 32.46 30.62 1iqj n ARG 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1iqj n GLY 114 N 3.67 0.91 3.88 -0.13 0.00 -1.26 -4.72 105.19 107.54 1iqj n GLY 114 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1iqj n GLY 114 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iqj n TYR 115 N 0.00 -1.45 -3.75 1.61 4.02 -0.78 -2.08 117.16 114.73 1iqj n TYR 115 Ca 0.00 -2.23 -0.12 0.00 -0.01 0.00 0.00 57.90 55.53 1iqj n TYR 115 Cb 0.00 -0.50 -0.11 0.00 -0.02 0.00 0.00 39.34 38.70 1iqj n TYR 115 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1iqj s THR 116 N -2.68 -0.01 -0.08 -0.72 -4.23 0.37 -4.86 115.64 103.43 1iqj s THR 116 Ca 0.47 0.05 -0.29 0.00 -1.18 0.00 0.00 61.69 60.73 1iqj s THR 116 Cb -0.04 -0.45 -0.06 0.00 1.34 0.00 0.00 72.50 73.30 1iqj s THR 116 CO 0.30 0.02 1.74 -0.22 -0.54 0.00 0.00 174.62 175.92 1iqj s LEU 117 N 0.59 4.21 0.00 4.79 2.96 -1.26 0.03 118.68 130.00 1iqj s LEU 117 Ca -0.04 2.18 -0.18 0.00 -0.22 0.00 0.00 54.13 55.88 1iqj s LEU 117 Cb -0.05 -3.53 0.28 0.00 0.50 0.00 0.00 46.19 43.39 1iqj s LEU 117 CO -0.04 -1.08 0.63 0.00 -1.32 0.00 0.00 176.35 174.54 1iqj n ALA 118 N 7.75 -3.81 -0.08 5.97 0.00 -0.63 -4.78 120.51 124.93 1iqj n ALA 118 Ca 0.19 -1.11 -0.12 0.00 0.00 0.00 0.00 53.44 52.40 1iqj n ALA 118 Cb 0.43 -0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.73 1iqj n ALA 118 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1iqj h ASP 119 N -3.19 0.48 0.00 0.00 5.19 -1.94 -2.40 116.42 114.58 1iqj h ASP 119 Ca -0.28 -0.40 0.00 0.00 -0.62 0.00 0.00 57.03 55.72 1iqj h ASP 119 Cb 0.96 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1iqj h ASP 119 CO 0.17 0.78 0.00 -0.46 -3.12 0.00 0.00 179.24 176.61 1iqj n ASN 120 N -4.53 0.00 -1.47 6.45 0.23 -1.26 -4.78 115.26 109.89 1iqj n ASN 120 Ca -0.04 0.35 -0.18 0.00 -0.53 0.00 0.00 54.58 54.18 1iqj n ASN 120 Cb 0.33 -0.35 -0.06 0.00 -2.08 0.00 0.00 39.78 37.62 1iqj n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1iqj n GLY 121 N -1.33 1.31 0.00 4.83 0.00 -0.90 -4.79 105.19 104.31 1iqj n GLY 121 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1iqj n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iqj n LYS 122 N -2.53 1.77 -2.49 1.61 5.02 -1.26 -4.12 118.16 116.16 1iqj n LYS 122 Ca -0.18 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.86 1iqj n LYS 122 Cb 0.59 -0.85 0.03 0.00 -0.02 0.00 0.00 35.03 34.78 1iqj n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iqj s ALA 123 N -1.70 3.42 -0.06 7.82 0.00 -1.26 0.79 121.76 130.76 1iqj s ALA 123 Ca 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1iqj s ALA 123 Cb 0.00 -2.47 -0.00 0.00 0.00 0.00 0.00 23.12 20.65 1iqj s ALA 123 CO 0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 175.76 174.74 1iqj s ILE 125 N 0.06 1.49 1.36 0.00 1.01 0.11 -4.86 121.20 120.37 1iqj s ILE 125 Ca -0.08 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 1iqj s ILE 125 Cb -0.14 -1.36 0.34 0.00 0.01 0.00 0.00 42.46 41.31 1iqj s ILE 125 CO 0.04 0.44 0.76 -2.65 0.00 0.00 0.00 174.94 173.53 1iqj n PRO 126 N 4.09 -4.08 0.00 2.79 -0.02 -1.26 0.14 135.00 136.66 1iqj n PRO 126 Ca -0.20 -1.28 0.00 0.00 -2.02 0.00 0.00 63.50 60.01 1iqj n PRO 126 Cb 0.51 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1iqj n PRO 126 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1iqj n THR 127 N -5.50 0.00 -4.31 3.45 -2.24 -0.88 -4.57 114.28 100.22 1iqj n THR 127 Ca 0.12 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.74 1iqj n THR 127 Cb 0.53 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.48 1iqj n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqj s GLY 128 N 0.00 1.53 0.53 3.38 0.00 -1.26 -5.03 107.32 106.47 1iqj s GLY 128 Ca 0.00 -1.75 0.31 0.00 0.00 0.00 0.00 44.72 43.28 1iqj s GLY 128 CO 0.00 -1.64 1.99 -2.55 0.00 0.00 0.00 173.10 170.90 1iqj h PRO 129 N 2.49 0.00 -2.92 2.90 0.11 -1.99 -3.35 132.00 129.24 1iqj h PRO 129 Ca -0.38 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.12 1iqj h PRO 129 Cb 1.22 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.93 1iqj h PRO 129 CO 0.64 0.08 -0.72 0.71 -0.21 0.00 0.00 178.00 178.49 1iqj s TYR 130 N -3.78 2.44 0.52 0.65 2.02 -1.26 -5.11 117.35 112.84 1iqj s TYR 130 Ca -0.00 -2.79 -0.16 0.00 -0.37 0.00 0.00 57.07 53.75 1iqj s TYR 130 Cb 0.10 -2.04 -0.08 0.00 -0.40 0.00 0.00 41.96 39.55 1iqj s TYR 130 CO 0.56 -0.71 0.99 -2.14 -1.57 0.00 0.00 175.55 172.69 1iqj s PRO 131 N -0.40 3.91 0.74 -1.71 0.02 -1.26 -5.03 135.00 131.27 1iqj s PRO 131 Ca 0.23 0.97 -0.13 0.00 0.02 0.00 0.00 61.00 62.09 1iqj s PRO 131 Cb -0.11 -2.13 0.05 0.00 0.02 0.00 0.00 34.50 32.33 1iqj s PRO 131 CO -0.10 -0.31 1.13 0.00 -0.33 0.00 0.00 177.00 177.39 1iqj n GLY 133 N -0.41 1.67 3.81 0.00 0.00 -1.26 -4.98 105.19 104.02 1iqj n GLY 133 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1iqj n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqj s LYS 134 N 0.00 4.14 -0.04 1.61 -0.14 -1.22 -5.05 119.74 119.03 1iqj s LYS 134 Ca 0.00 0.64 -0.28 0.00 -1.36 0.00 0.00 55.97 54.97 1iqj s LYS 134 Cb 0.00 -3.25 -0.03 0.00 -1.68 0.00 0.00 37.83 32.87 1iqj s LYS 134 CO 0.00 0.62 0.89 -0.65 -0.76 0.00 0.00 175.35 175.45 1iqj s GLN 135 N -0.97 4.49 -1.05 1.68 -0.21 -1.26 -4.94 119.66 117.39 1iqj s GLN 135 Ca 0.28 1.23 -0.23 0.00 0.02 0.00 0.00 55.36 56.66 1iqj s GLN 135 Cb -0.18 -3.47 0.00 0.00 1.00 0.00 0.00 33.01 30.35 1iqj s GLN 135 CO 0.17 -0.07 1.72 0.95 -2.12 0.00 0.00 175.29 175.94 1iqj s THR 136 N 1.16 3.76 -1.60 -0.19 -4.23 -1.26 -5.15 115.64 108.12 1iqj s THR 136 Ca 0.46 -0.86 0.13 0.00 -1.18 0.00 0.00 61.69 60.24 1iqj s THR 136 Cb -0.19 -4.69 0.10 0.00 1.34 0.00 0.00 72.50 69.06 1iqj s THR 136 CO 0.23 -1.51 0.91 0.18 -0.54 0.00 0.00 174.62 173.88