#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqn n LEU 88 N 0.00 -1.15 0.00 3.14 7.94 -1.26 -4.77 117.00 120.90 1iqn n LEU 88 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 1iqn n LEU 88 Cb 0.00 -0.57 0.56 0.00 0.53 0.00 0.00 43.42 43.94 1iqn n LEU 88 CO 0.00 0.00 0.77 0.00 -1.11 0.00 0.00 177.39 177.05 1iqn n SER 90 N -0.93 0.60 0.10 0.00 7.64 -1.26 -2.83 113.62 116.94 1iqn n SER 90 Ca 0.14 0.26 -0.08 0.00 1.01 0.00 0.00 58.87 60.20 1iqn n SER 90 Cb 0.06 0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 63.79 1iqn n SER 90 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1iqn h LEU 91 N 0.00 -0.68 -5.10 -3.43 5.85 -1.73 -3.39 115.31 106.83 1iqn h LEU 91 Ca -0.19 0.06 -0.28 0.00 0.84 0.00 0.00 57.88 58.31 1iqn h LEU 91 Cb 1.57 0.23 -0.24 0.00 0.37 0.00 0.00 40.66 42.59 1iqn h LEU 91 CO 0.03 -0.28 -0.66 -0.67 -0.34 0.00 0.00 178.44 176.52 1iqn n ASP 92 N -3.78 -0.89 -2.36 1.25 2.03 -1.26 -4.89 116.55 106.65 1iqn n ASP 92 Ca -0.05 -2.81 -0.21 0.00 0.52 0.00 0.00 54.79 52.24 1iqn n ASP 92 Cb 0.20 0.65 -0.01 0.00 -0.72 0.00 0.00 41.12 41.23 1iqn n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1iqn n ASN 93 N -0.20 -5.88 -0.10 1.67 5.15 -1.13 -0.84 115.26 113.94 1iqn n ASN 93 Ca 0.04 0.02 -0.01 0.00 -0.60 0.00 0.00 54.58 54.03 1iqn n ASN 93 Cb 0.80 -4.91 -0.01 0.00 -0.53 0.00 0.00 39.78 35.13 1iqn n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iqn n GLY 94 N -0.98 0.23 2.18 8.20 0.00 -1.23 -1.70 105.19 111.89 1iqn n GLY 94 Ca -0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1iqn n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iqn n ASP 95 N -0.76 -3.66 -4.91 1.61 2.03 -0.02 -5.00 116.55 105.84 1iqn n ASP 95 Ca -0.01 0.10 -0.28 0.00 0.52 0.00 0.00 54.79 55.12 1iqn n ASP 95 Cb 0.40 -1.50 0.06 0.00 -0.72 0.00 0.00 41.12 39.35 1iqn n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqn h ASP 97 N -0.62 0.37 0.00 0.00 3.45 -1.81 -3.48 116.42 114.33 1iqn h ASP 97 Ca -0.45 -0.64 0.00 0.00 0.43 0.00 0.00 57.03 56.37 1iqn h ASP 97 Cb 1.29 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 1iqn h ASP 97 CO 0.62 1.56 0.00 0.00 -1.57 0.00 0.00 179.24 179.85 1iqn n GLN 98 N -3.42 0.00 -1.68 3.56 6.02 -1.26 -5.01 117.38 115.58 1iqn n GLN 98 Ca -0.22 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.32 1iqn n GLN 98 Cb 1.05 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 32.27 1iqn n GLN 98 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1iqn n PHE 99 N 0.00 2.40 -5.21 1.08 3.72 -0.86 -4.87 117.46 113.71 1iqn n PHE 99 Ca 0.00 0.17 -0.32 0.00 -0.05 0.00 0.00 57.45 57.26 1iqn n PHE 99 Cb 0.00 -2.59 -0.16 0.00 -0.94 0.00 0.00 39.48 35.79 1iqn n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iqn s HIS 101 N -0.35 1.20 0.07 0.00 3.76 -0.67 -4.96 115.29 114.34 1iqn s HIS 101 Ca 0.02 -0.84 0.10 0.00 -0.15 0.00 0.00 55.06 54.19 1iqn s HIS 101 Cb -0.12 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.89 1iqn s HIS 101 CO 0.02 -0.01 -0.27 -1.21 -0.85 0.00 0.00 174.74 172.42 1iqn s GLU 102 N -3.80 1.69 -0.64 1.40 2.02 -1.26 0.33 118.70 118.44 1iqn s GLU 102 Ca 0.18 -1.18 0.05 0.00 0.02 0.00 0.00 54.97 54.04 1iqn s GLU 102 Cb 0.04 -1.96 0.21 0.00 0.10 0.00 0.00 34.13 32.52 1iqn s GLU 102 CO 0.00 0.49 0.58 0.39 0.02 0.00 0.00 175.26 176.75 1iqn n GLU 103 N 1.53 1.88 0.00 1.61 -0.58 0.36 -4.90 120.64 120.53 1iqn n GLU 103 Ca -0.17 -4.36 0.00 0.00 -0.42 0.00 0.00 57.16 52.21 1iqn n GLU 103 Cb 0.52 -2.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 1iqn n GLU 103 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iqn n GLN 104 N 1.58 0.00 0.00 3.49 0.00 -1.26 -2.40 117.38 118.79 1iqn n GLN 104 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.25 1iqn n GLN 104 Cb 0.40 -1.20 0.00 0.00 0.00 0.00 0.00 30.24 29.44 1iqn n GLN 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1iqn n ASN 105 N 0.00 0.00 -4.27 2.61 6.94 -1.26 -5.04 115.26 114.24 1iqn n ASN 105 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 54.58 54.41 1iqn n ASN 105 Cb 0.00 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 1iqn n ASN 105 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1iqn s SER 106 N -0.36 1.17 0.15 0.53 0.01 -1.01 -0.71 113.70 113.49 1iqn s SER 106 Ca 0.00 -1.27 -0.05 0.00 1.31 0.00 0.00 55.95 55.94 1iqn s SER 106 Cb 0.00 0.15 -0.06 0.00 0.21 0.00 0.00 66.02 66.32 1iqn s SER 106 CO 0.00 -0.65 0.40 0.68 0.41 0.00 0.00 173.24 174.08 1iqn s VAL 107 N -3.71 5.14 -0.26 3.43 -7.23 -1.26 0.14 120.40 116.64 1iqn s VAL 107 Ca 0.30 0.09 -0.02 0.00 -1.81 0.00 0.00 61.98 60.55 1iqn s VAL 107 Cb 0.07 -3.62 0.08 0.00 0.56 0.00 0.00 36.38 33.47 1iqn s VAL 107 CO 0.08 0.03 0.06 -0.69 -0.31 0.00 0.00 175.10 174.27 1iqn s VAL 108 N -1.68 0.77 0.43 1.32 1.01 0.15 -4.89 120.40 117.51 1iqn s VAL 108 Ca 0.42 -1.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1iqn s VAL 108 Cb -0.12 -1.40 -0.11 0.00 0.00 0.00 0.00 36.38 34.75 1iqn s VAL 108 CO 0.24 -0.44 0.95 0.00 0.00 0.00 0.00 175.10 175.86 1iqn s SER 110 N -2.14 -0.28 0.38 0.00 1.04 -0.38 -4.93 113.70 107.39 1iqn s SER 110 Ca 0.62 -0.19 0.08 0.00 0.48 0.00 0.00 55.95 56.93 1iqn s SER 110 Cb -0.10 0.47 -0.06 0.00 0.10 0.00 0.00 66.02 66.43 1iqn s SER 110 CO 0.14 -0.82 0.04 0.00 0.98 0.00 0.00 173.24 173.59 1iqn s ALA 112 N -2.61 1.75 0.19 0.00 0.00 -1.26 -4.89 121.76 114.94 1iqn s ALA 112 Ca 0.36 -0.28 -0.32 0.00 0.00 0.00 0.00 51.96 51.72 1iqn s ALA 112 Cb 0.04 -3.11 -0.12 0.00 0.00 0.00 0.00 23.12 19.93 1iqn s ALA 112 CO 0.19 -2.20 1.73 0.54 0.00 0.00 0.00 175.76 176.02 1iqn n ARG 113 N -3.75 2.70 0.00 0.00 1.74 -1.26 -1.77 116.66 114.33 1iqn n ARG 113 Ca 0.07 0.98 0.00 0.00 -0.77 0.00 0.00 57.85 58.12 1iqn n ARG 113 Cb 0.57 -2.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 1iqn n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iqn n GLY 114 N 3.95 0.49 3.46 -0.13 0.00 -1.26 -4.63 105.19 107.06 1iqn n GLY 114 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1iqn n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqn s TYR 115 N -2.00 2.36 -0.04 1.61 1.51 -0.73 -2.51 117.35 117.56 1iqn s TYR 115 Ca 0.00 -0.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 1iqn s TYR 115 Cb 0.00 -1.15 -0.00 0.00 -0.11 0.00 0.00 41.96 40.70 1iqn s TYR 115 CO 0.00 0.53 -0.16 0.95 -1.11 0.00 0.00 175.55 175.76 1iqn s THR 116 N -1.79 1.31 0.07 -0.71 -4.23 -0.26 -4.76 115.64 105.26 1iqn s THR 116 Ca 0.23 -0.65 -0.30 0.00 -1.18 0.00 0.00 61.69 59.78 1iqn s THR 116 Cb -0.08 -1.13 -0.09 0.00 1.34 0.00 0.00 72.50 72.54 1iqn s THR 116 CO 0.11 0.38 1.83 -0.22 -0.54 0.00 0.00 174.62 176.18 1iqn s LEU 117 N 0.09 4.40 1.24 4.79 2.96 -1.26 -1.58 118.68 129.32 1iqn s LEU 117 Ca -0.04 2.63 -0.16 0.00 -0.22 0.00 0.00 54.13 56.34 1iqn s LEU 117 Cb -0.11 -3.55 0.29 0.00 0.50 0.00 0.00 46.19 43.31 1iqn s LEU 117 CO 0.02 -0.99 0.77 0.00 -1.32 0.00 0.00 176.35 174.83 1iqn n ALA 118 N 6.40 -3.65 0.39 5.97 0.00 0.11 -4.82 120.51 124.90 1iqn n ALA 118 Ca 0.18 -1.41 0.11 0.00 0.00 0.00 0.00 53.44 52.32 1iqn n ALA 118 Cb 0.40 -1.76 0.46 0.00 0.00 0.00 0.00 19.45 18.55 1iqn n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iqn n ASP 119 N -4.48 0.54 -0.75 0.00 10.43 -1.26 -1.61 116.55 119.42 1iqn n ASP 119 Ca 0.04 0.64 0.10 0.00 2.57 0.00 0.00 54.79 58.15 1iqn n ASP 119 Cb 0.56 -0.75 0.29 0.00 1.84 0.00 0.00 41.12 43.05 1iqn n ASP 119 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1iqn n ASN 120 N -2.11 2.23 -1.62 -2.24 0.23 -1.26 -4.91 115.26 105.58 1iqn n ASN 120 Ca 0.02 -1.85 -0.21 0.00 -0.53 0.00 0.00 54.58 52.01 1iqn n ASN 120 Cb 0.20 -0.19 -0.09 0.00 -2.08 0.00 0.00 39.78 37.63 1iqn n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1iqn n GLY 121 N 1.23 1.94 1.46 4.83 0.00 -0.64 -4.75 105.19 109.26 1iqn n GLY 121 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1iqn n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iqn n LYS 122 N -2.40 0.00 -1.68 1.61 5.02 -1.26 -4.13 118.16 115.32 1iqn n LYS 122 Ca -0.21 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.76 1iqn n LYS 122 Cb 0.69 -0.28 0.05 0.00 -0.02 0.00 0.00 35.03 35.46 1iqn n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iqn s ALA 123 N -2.00 2.53 -0.01 7.82 0.00 -1.26 -2.47 121.76 126.37 1iqn s ALA 123 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.36 1iqn s ALA 123 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1iqn s ALA 123 CO 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 175.76 174.38 1iqn s ILE 125 N -0.88 1.36 0.90 0.00 1.01 -0.61 -4.87 121.20 118.11 1iqn s ILE 125 Ca 0.14 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 1iqn s ILE 125 Cb -0.11 -1.16 0.13 0.00 0.01 0.00 0.00 42.46 41.33 1iqn s ILE 125 CO 0.04 0.39 1.09 -2.84 0.00 0.00 0.00 174.94 173.63 1iqn s PRO 126 N -0.07 1.22 0.00 2.79 0.02 -1.26 -1.11 135.00 136.59 1iqn s PRO 126 Ca -0.01 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.05 1iqn s PRO 126 Cb -0.10 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.63 1iqn s PRO 126 CO 0.01 -2.33 0.00 0.25 -0.33 0.00 0.00 177.00 174.61 1iqn n THR 127 N -3.97 0.00 -4.49 0.99 -2.24 -1.04 -4.80 114.28 98.73 1iqn n THR 127 Ca 0.08 -0.12 -0.24 0.00 -2.27 0.00 0.00 64.05 61.50 1iqn n THR 127 Cb 0.54 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 69.27 1iqn n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqn s GLY 128 N -1.46 2.34 0.00 3.38 0.00 -1.26 -5.03 107.32 105.29 1iqn s GLY 128 Ca 0.00 -1.62 0.29 0.00 0.00 0.00 0.00 44.72 43.39 1iqn s GLY 128 CO 0.00 -1.84 2.04 -1.55 0.00 0.00 0.00 173.10 171.75 1iqn n PRO 129 N -0.81 0.78 -3.21 2.90 -0.04 -1.26 -4.10 135.00 129.25 1iqn n PRO 129 Ca -0.05 0.01 -0.24 0.00 -0.04 0.00 0.00 63.50 63.18 1iqn n PRO 129 Cb 0.66 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 1iqn n PRO 129 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1iqn n TYR 130 N -1.07 0.45 -2.36 0.54 4.01 -1.26 -5.11 117.16 112.37 1iqn n TYR 130 Ca 0.20 -3.70 -0.39 0.00 -0.16 0.00 0.00 57.90 53.85 1iqn n TYR 130 Cb 0.13 -0.40 -0.03 0.00 -0.31 0.00 0.00 39.34 38.73 1iqn n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1iqn s PRO 131 N -1.64 4.25 0.66 -0.72 0.04 -1.26 -4.97 135.00 131.36 1iqn s PRO 131 Ca 0.37 1.82 -0.17 0.00 0.04 0.00 0.00 61.00 63.06 1iqn s PRO 131 Cb 0.20 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 1iqn s PRO 131 CO -0.09 -0.14 0.88 0.00 0.04 0.00 0.00 177.00 177.69 1iqn n GLY 133 N 1.30 0.53 3.76 0.00 0.00 -1.26 -5.00 105.19 104.51 1iqn n GLY 133 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1iqn n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqn s LYS 134 N -0.49 3.62 -0.00 1.61 -0.14 -1.17 -5.06 119.74 118.10 1iqn s LYS 134 Ca 0.00 -0.25 -0.30 0.00 -1.36 0.00 0.00 55.97 54.06 1iqn s LYS 134 Cb 0.00 -3.17 -0.03 0.00 -1.68 0.00 0.00 37.83 32.95 1iqn s LYS 134 CO 0.00 0.56 1.07 -0.65 -0.76 0.00 0.00 175.35 175.57 1iqn s GLN 135 N -0.42 4.48 -1.38 1.68 -0.21 -1.26 -4.91 119.66 117.63 1iqn s GLN 135 Ca 0.11 1.54 -0.09 0.00 0.02 0.00 0.00 55.36 56.94 1iqn s GLN 135 Cb -0.12 -3.45 -0.07 0.00 1.00 0.00 0.00 33.01 30.37 1iqn s GLN 135 CO 0.02 -0.19 2.65 0.25 -2.12 0.00 0.00 175.29 175.90 1iqn n THR 136 N 4.08 3.66 1.54 -0.19 -2.24 -1.26 -5.17 114.28 114.69 1iqn n THR 136 Ca 0.08 -2.22 0.12 0.00 -2.27 0.00 0.00 64.05 59.76 1iqn n THR 136 Cb 0.49 -2.46 0.73 0.00 -2.10 0.00 0.00 70.33 66.99 1iqn n THR 136 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68