#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wu1 s ARG 86 N 0.00 4.06 0.37 1.09 3.03 -1.26 -4.99 118.95 121.25 1wu1 s ARG 86 Ca 0.00 1.37 0.05 0.00 2.03 0.00 0.00 55.73 59.17 1wu1 s ARG 86 Cb 0.00 -3.81 -0.06 0.00 -1.03 0.00 0.00 34.95 30.05 1wu1 s ARG 86 CO 0.00 -0.92 0.05 0.15 -1.13 0.00 0.00 175.30 173.44 1wu1 s LYS 87 N 3.82 1.80 0.00 3.89 3.01 -1.26 -4.49 119.74 126.51 1wu1 s LYS 87 Ca 0.53 -2.03 0.00 0.00 -1.01 0.00 0.00 55.97 53.47 1wu1 s LYS 87 Cb -0.18 -1.13 0.00 0.00 -1.01 0.00 0.00 37.83 35.51 1wu1 s LYS 87 CO 0.18 -0.18 0.00 1.28 0.51 0.00 0.00 175.35 177.14 1wu1 n LEU 88 N -0.83 0.00 0.29 3.17 4.77 -1.26 0.10 117.00 123.25 1wu1 n LEU 88 Ca -0.04 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.11 1wu1 n LEU 88 Cb 0.67 0.00 0.97 0.00 -2.33 0.00 0.00 43.42 42.73 1wu1 n LEU 88 CO 0.44 0.00 1.14 0.00 -1.33 0.00 0.00 177.39 177.64 1wu1 h SER 90 N 0.00 0.00 -3.02 0.00 0.02 0.31 -2.77 113.55 108.09 1wu1 h SER 90 Ca 0.01 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.25 1wu1 h SER 90 Cb 0.11 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.44 1wu1 h SER 90 CO -0.00 0.00 -0.00 -0.22 -1.14 0.00 0.00 176.83 175.47 1wu1 s LEU 91 N -5.22 5.54 -1.47 5.07 2.96 0.41 -4.51 118.68 121.46 1wu1 s LEU 91 Ca 0.07 -1.45 -0.07 0.00 -0.22 0.00 0.00 54.13 52.47 1wu1 s LEU 91 Cb 0.09 -2.29 0.05 0.00 0.50 0.00 0.00 46.19 44.54 1wu1 s LEU 91 CO 0.58 -1.00 0.69 -0.67 -1.32 0.00 0.00 176.35 174.63 1wu1 n ASP 92 N 5.98 -2.15 -0.96 3.68 2.03 -1.26 -0.64 116.55 123.24 1wu1 n ASP 92 Ca -0.10 -0.91 -0.11 0.00 0.52 0.00 0.00 54.79 54.19 1wu1 n ASP 92 Cb 0.42 -3.45 -0.05 0.00 -0.72 0.00 0.00 41.12 37.33 1wu1 n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1wu1 n ASN 93 N -2.91 -4.66 -0.38 1.67 4.05 -1.05 -1.51 115.26 110.48 1wu1 n ASN 93 Ca -0.15 0.27 -0.05 0.00 0.45 0.00 0.00 54.58 55.10 1wu1 n ASN 93 Cb 0.61 -3.67 -0.02 0.00 1.23 0.00 0.00 39.78 37.93 1wu1 n ASN 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wu1 n GLY 94 N 0.09 0.76 3.05 8.20 0.00 0.19 -1.17 105.19 116.30 1wu1 n GLY 94 Ca -0.11 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1wu1 n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wu1 n ASP 95 N 0.92 -0.12 -4.77 1.61 2.03 -0.57 -4.97 116.55 110.69 1wu1 n ASP 95 Ca -0.05 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.86 1wu1 n ASP 95 Cb 0.18 -0.23 -0.02 0.00 -0.72 0.00 0.00 41.12 40.33 1wu1 n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wu1 h ASP 97 N 3.12 0.00 0.00 0.00 3.32 -1.34 -3.47 116.42 118.05 1wu1 h ASP 97 Ca -0.49 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1wu1 h ASP 97 Cb 1.23 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1wu1 h ASP 97 CO 0.64 0.36 0.00 0.00 -1.72 0.00 0.00 179.24 178.52 1wu1 n GLN 98 N -4.12 0.00 -2.51 3.56 6.02 -1.26 -5.00 117.38 114.07 1wu1 n GLN 98 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 1wu1 n GLN 98 Cb 0.39 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.61 1wu1 n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1wu1 s PHE 99 N 2.10 3.57 0.09 1.08 0.08 -0.09 -4.86 117.98 119.95 1wu1 s PHE 99 Ca 0.00 1.55 0.08 0.00 0.12 0.00 0.00 56.93 58.69 1wu1 s PHE 99 Cb 0.00 -3.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.12 1wu1 s PHE 99 CO 0.00 -0.68 -0.18 0.00 -0.10 0.00 0.00 175.22 174.26 1wu1 s HIS 101 N -1.07 -0.07 -0.38 0.00 3.76 0.87 -4.97 115.29 113.43 1wu1 s HIS 101 Ca 0.17 0.23 -0.21 0.00 -0.15 0.00 0.00 55.06 55.10 1wu1 s HIS 101 Cb -0.11 -0.04 0.01 0.00 1.11 0.00 0.00 32.58 33.56 1wu1 s HIS 101 CO 0.08 -0.07 0.64 -1.21 -0.85 0.00 0.00 174.74 173.34 1wu1 s GLU 102 N 0.42 3.55 -0.14 1.40 2.02 -1.26 0.16 118.70 124.85 1wu1 s GLU 102 Ca -0.03 -0.08 -0.01 0.00 0.02 0.00 0.00 54.97 54.87 1wu1 s GLU 102 Cb -0.05 -3.86 0.04 0.00 0.10 0.00 0.00 34.13 30.36 1wu1 s GLU 102 CO -0.02 -0.83 -0.05 -2.00 0.02 0.00 0.00 175.26 172.38 1wu1 s GLU 103 N 2.77 1.36 7.26 1.61 2.12 0.73 -4.92 118.70 129.63 1wu1 s GLU 103 Ca 0.24 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.20 1wu1 s GLU 103 Cb -0.14 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.46 1wu1 s GLU 103 CO 0.16 -0.38 0.00 1.04 -0.54 0.00 0.00 175.26 175.55 1wu1 n GLN 104 N 4.93 0.00 -0.73 4.30 6.02 -1.26 -2.80 117.38 127.84 1wu1 n GLN 104 Ca -0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1wu1 n GLN 104 Cb 0.49 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.95 1wu1 n GLN 104 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1wu1 n ASN 105 N 4.99 2.21 -4.30 1.08 5.15 -1.26 -5.00 115.26 118.12 1wu1 n ASN 105 Ca 0.00 -3.81 -0.17 0.00 -0.60 0.00 0.00 54.58 49.99 1wu1 n ASN 105 Cb 0.00 -0.60 -0.10 0.00 -0.53 0.00 0.00 39.78 38.55 1wu1 n ASN 105 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1wu1 s SER 106 N -2.79 2.28 0.04 1.20 1.04 -1.12 -5.00 113.70 109.34 1wu1 s SER 106 Ca 0.42 -0.97 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 1wu1 s SER 106 Cb 0.39 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 1wu1 s SER 106 CO -0.03 -0.20 1.00 -0.69 0.98 0.00 0.00 173.24 174.30 1wu1 s VAL 107 N -2.87 4.68 -0.18 5.02 1.01 -1.26 -0.19 120.40 126.60 1wu1 s VAL 107 Ca 0.18 2.01 0.01 0.00 0.00 0.00 0.00 61.98 64.18 1wu1 s VAL 107 Cb -0.01 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1wu1 s VAL 107 CO 0.04 0.20 -0.18 -0.69 0.00 0.00 0.00 175.10 174.48 1wu1 s VAL 108 N 0.70 1.98 0.16 2.92 1.01 0.43 -4.90 120.40 122.70 1wu1 s VAL 108 Ca 0.51 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1wu1 s VAL 108 Cb -0.23 -1.83 -0.06 0.00 0.00 0.00 0.00 36.38 34.26 1wu1 s VAL 108 CO 0.29 0.46 0.42 0.00 0.00 0.00 0.00 175.10 176.27 1wu1 s SER 110 N -2.37 0.42 0.04 0.00 1.04 0.64 -4.94 113.70 108.53 1wu1 s SER 110 Ca 0.42 -1.28 0.03 0.00 0.48 0.00 0.00 55.95 55.60 1wu1 s SER 110 Cb -0.12 0.75 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 1wu1 s SER 110 CO 0.23 -1.48 -0.08 0.00 0.98 0.00 0.00 173.24 172.89 1wu1 n ALA 112 N 1.61 -2.95 -2.00 0.00 0.00 -1.26 -4.84 120.51 111.07 1wu1 n ALA 112 Ca -0.21 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 51.71 1wu1 n ALA 112 Cb 0.55 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 1wu1 n ALA 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wu1 s ARG 113 N -4.13 4.26 0.00 0.00 0.52 -1.26 -2.14 118.95 116.21 1wu1 s ARG 113 Ca 0.64 2.26 0.00 0.00 -0.52 0.00 0.00 55.73 58.11 1wu1 s ARG 113 Cb -0.21 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.08 1wu1 s ARG 113 CO 0.65 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.86 1wu1 n GLY 114 N 3.36 1.06 3.18 -3.53 0.00 -1.26 -4.65 105.19 103.35 1wu1 n GLY 114 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1wu1 n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wu1 s TYR 115 N -2.00 1.20 0.04 1.61 1.51 -0.91 -2.60 117.35 116.20 1wu1 s TYR 115 Ca 0.00 -0.52 0.09 0.00 -1.01 0.00 0.00 57.07 55.63 1wu1 s TYR 115 Cb 0.00 -0.66 -0.03 0.00 -0.11 0.00 0.00 41.96 41.16 1wu1 s TYR 115 CO 0.00 0.06 -0.26 0.95 -1.11 0.00 0.00 175.55 175.19 1wu1 s THR 116 N -1.69 2.13 0.11 -0.71 -4.23 0.23 -4.83 115.64 106.64 1wu1 s THR 116 Ca 0.01 -1.35 -0.31 0.00 -1.18 0.00 0.00 61.69 58.86 1wu1 s THR 116 Cb -0.08 -1.81 -0.10 0.00 1.34 0.00 0.00 72.50 71.85 1wu1 s THR 116 CO 0.02 0.40 1.87 -0.11 -0.54 0.00 0.00 174.62 176.26 1wu1 n LEU 117 N 1.87 4.12 -4.51 4.79 7.94 -1.26 -0.22 117.00 129.72 1wu1 n LEU 117 Ca -0.17 0.97 -0.29 0.00 -1.11 0.00 0.00 56.01 55.41 1wu1 n LEU 117 Cb 0.52 -1.55 0.24 0.00 0.53 0.00 0.00 43.42 43.16 1wu1 n LEU 117 CO 0.23 0.20 0.55 0.00 -1.11 0.00 0.00 177.39 177.26 1wu1 s ALA 118 N 3.06 0.06 0.28 1.96 0.00 0.97 -4.81 121.76 123.28 1wu1 s ALA 118 Ca 0.83 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 1wu1 s ALA 118 Cb -0.46 -3.02 0.40 0.00 0.00 0.00 0.00 23.12 20.03 1wu1 s ALA 118 CO 0.38 -3.77 1.82 -0.44 0.00 0.00 0.00 175.76 173.75 1wu1 h ASP 119 N -2.68 0.78 0.27 0.00 3.45 -1.94 0.31 116.42 116.61 1wu1 h ASP 119 Ca -0.51 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 56.82 1wu1 h ASP 119 Cb 1.32 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.89 1wu1 h ASP 119 CO 0.41 0.76 0.00 -0.46 -1.57 0.00 0.00 179.24 178.39 1wu1 n ASN 120 N -4.27 0.08 -0.94 6.45 0.23 -1.26 -4.86 115.26 110.69 1wu1 n ASN 120 Ca 0.04 0.53 -0.12 0.00 -0.53 0.00 0.00 54.58 54.50 1wu1 n ASN 120 Cb 0.23 -0.54 -0.05 0.00 -2.08 0.00 0.00 39.78 37.34 1wu1 n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wu1 n GLY 121 N -0.71 1.17 0.00 4.83 0.00 0.11 -4.81 105.19 105.78 1wu1 n GLY 121 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1wu1 n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wu1 n LYS 122 N -2.61 0.14 -2.95 1.61 5.02 -1.26 -4.41 118.16 113.69 1wu1 n LYS 122 Ca -0.12 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.84 1wu1 n LYS 122 Cb 0.40 -0.77 -0.07 0.00 -0.02 0.00 0.00 35.03 34.58 1wu1 n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wu1 s ALA 123 N -1.54 3.17 -0.19 7.82 0.00 -1.26 -0.90 121.76 128.87 1wu1 s ALA 123 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 1wu1 s ALA 123 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1wu1 s ALA 123 CO 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 175.76 175.86 1wu1 s ILE 125 N 1.21 3.39 0.15 0.00 -1.09 0.70 -4.87 121.20 120.68 1wu1 s ILE 125 Ca 0.02 -0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 57.58 1wu1 s ILE 125 Cb -0.14 -2.43 -0.08 0.00 -1.58 0.00 0.00 42.46 38.23 1wu1 s ILE 125 CO -0.05 0.53 1.28 -2.84 -1.23 0.00 0.00 174.94 172.63 1wu1 s PRO 126 N 0.12 4.41 0.05 2.79 0.02 -1.26 0.74 135.00 141.85 1wu1 s PRO 126 Ca -0.04 1.96 0.26 0.00 0.02 0.00 0.00 61.00 63.20 1wu1 s PRO 126 Cb -0.14 -3.25 0.71 0.00 0.02 0.00 0.00 34.50 31.84 1wu1 s PRO 126 CO 0.04 -0.26 1.58 0.25 -0.33 0.00 0.00 177.00 178.28 1wu1 n THR 127 N 3.14 0.13 -3.86 0.99 -2.24 -1.07 -4.87 114.28 106.50 1wu1 n THR 127 Ca 0.07 -0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1wu1 n THR 127 Cb 0.44 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 1wu1 n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wu1 n GLY 128 N 1.45 3.36 3.98 3.38 0.00 -1.26 -5.10 105.19 111.00 1wu1 n GLY 128 Ca 0.05 -1.57 -0.21 0.00 0.00 0.00 0.00 46.02 44.30 1wu1 n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wu1 s PRO 129 N -2.22 2.42 -1.23 1.61 0.04 -1.26 -4.33 135.00 130.03 1wu1 s PRO 129 Ca 0.07 -0.94 -0.01 0.00 0.04 0.00 0.00 61.00 60.17 1wu1 s PRO 129 Cb 0.00 -2.50 -0.00 0.00 0.04 0.00 0.00 34.50 32.03 1wu1 s PRO 129 CO 0.05 -0.79 0.88 0.66 0.04 0.00 0.00 177.00 177.84 1wu1 n TYR 130 N -2.36 -2.09 -1.74 0.56 4.01 -1.26 -4.98 117.16 109.30 1wu1 n TYR 130 Ca 0.10 0.89 -0.33 0.00 -0.16 0.00 0.00 57.90 58.39 1wu1 n TYR 130 Cb 0.60 -4.74 0.05 0.00 -0.31 0.00 0.00 39.34 34.94 1wu1 n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1wu1 s PRO 131 N -5.55 2.80 0.49 -0.72 0.04 -1.26 -4.98 135.00 125.82 1wu1 s PRO 131 Ca 0.04 1.36 -0.23 0.00 0.04 0.00 0.00 61.00 62.21 1wu1 s PRO 131 Cb -0.01 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 1wu1 s PRO 131 CO 0.76 -1.25 1.27 0.00 0.04 0.00 0.00 177.00 177.83 1wu1 n GLY 133 N 0.60 0.76 3.53 0.00 0.00 -1.26 -5.03 105.19 103.78 1wu1 n GLY 133 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1wu1 n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wu1 s LYS 134 N -0.46 3.59 0.30 1.61 -0.14 -1.23 -5.11 119.74 118.30 1wu1 s LYS 134 Ca 0.00 -0.50 -0.29 0.00 -1.36 0.00 0.00 55.97 53.82 1wu1 s LYS 134 Cb 0.00 -2.91 -0.11 0.00 -1.68 0.00 0.00 37.83 33.13 1wu1 s LYS 134 CO 0.00 0.31 1.52 -0.65 -0.76 0.00 0.00 175.35 175.77 1wu1 s GLN 135 N 0.18 4.16 -1.07 1.68 -0.21 -1.26 -4.90 119.66 118.25 1wu1 s GLN 135 Ca -0.01 2.50 -0.19 0.00 0.02 0.00 0.00 55.36 57.67 1wu1 s GLN 135 Cb -0.14 -3.03 0.10 0.00 1.00 0.00 0.00 33.01 30.94 1wu1 s GLN 135 CO 0.03 -0.54 1.40 0.95 -2.12 0.00 0.00 175.29 175.01 1wu1 s THR 136 N -0.30 4.37 0.00 -0.19 -4.23 -1.26 -4.11 115.64 109.91 1wu1 s THR 136 Ca 0.59 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1wu1 s THR 136 Cb -0.46 -4.98 0.00 0.00 1.34 0.00 0.00 72.50 68.40 1wu1 s THR 136 CO 0.50 -1.78 0.00 0.00 -0.54 0.00 0.00 174.62 172.81 1wu1 n LEU 137 N 7.60 0.00 -0.54 4.79 -0.00 -1.26 -5.26 117.00 122.33 1wu1 n LEU 137 Ca 0.34 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.49 1wu1 n LEU 137 Cb 0.48 0.00 0.47 0.00 -0.00 0.00 0.00 43.42 44.37 1wu1 n LEU 137 CO 0.63 0.00 0.84 -0.62 -0.00 0.00 0.00 177.39 178.24