#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg1 h SER 91 N 0.00 -0.31 -2.50 1.61 0.02 -1.98 -3.40 113.55 106.98 1wg1 h SER 91 Ca 0.00 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.64 1wg1 h SER 91 Cb 0.00 0.08 -0.27 0.00 0.14 0.00 0.00 62.40 62.35 1wg1 h SER 91 CO 0.00 0.11 -0.36 -0.94 -1.14 0.00 0.00 176.83 174.50 1wg1 s SER 92 N -5.18 -0.29 -0.73 3.07 1.04 -1.26 -2.68 113.70 107.67 1wg1 s SER 92 Ca -0.14 1.01 -0.25 0.00 0.48 0.00 0.00 55.95 57.06 1wg1 s SER 92 Cb 0.02 1.38 -0.15 0.00 0.10 0.00 0.00 66.02 67.37 1wg1 s SER 92 CO 0.51 -0.23 2.44 0.61 0.98 0.00 0.00 173.24 177.56 1wg1 n GLY 93 N 5.38 -0.12 1.81 7.32 0.00 -1.26 -4.76 105.19 113.55 1wg1 n GLY 93 Ca -0.09 0.59 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 1wg1 n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wg1 n SER 94 N 14.36 6.00 -0.10 1.61 3.41 -1.26 -4.45 113.62 133.19 1wg1 n SER 94 Ca 0.49 -2.95 -0.11 0.00 -0.26 0.00 0.00 58.87 56.04 1wg1 n SER 94 Cb 0.37 -1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.26 1wg1 n SER 94 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wg1 h SER 95 N 1.30 0.50 -3.89 4.04 4.64 -1.79 -3.40 113.55 114.96 1wg1 h SER 95 Ca 0.26 -0.29 -0.54 0.00 -0.47 0.00 0.00 61.79 60.75 1wg1 h SER 95 Cb 1.02 -0.13 0.10 0.00 -0.31 0.00 0.00 62.40 63.08 1wg1 h SER 95 CO 0.64 0.67 0.78 -0.83 -0.87 0.00 0.00 176.83 177.23 1wg1 s GLY 96 N -3.14 2.88 0.06 -0.77 0.00 -1.26 -3.08 107.32 102.00 1wg1 s GLY 96 Ca -0.13 1.56 0.01 0.00 0.00 0.00 0.00 44.72 46.16 1wg1 s GLY 96 CO 0.76 2.28 -0.05 -0.26 0.00 0.00 0.00 173.10 175.82 1wg1 s ILE 97 N -1.03 0.41 -0.15 0.90 -4.36 0.40 -3.90 121.20 113.48 1wg1 s ILE 97 Ca 0.53 -1.62 -0.05 0.00 -0.26 0.00 0.00 60.65 59.25 1wg1 s ILE 97 Cb -0.46 -1.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 1wg1 s ILE 97 CO 0.62 -0.80 0.03 -0.76 0.24 0.00 0.00 174.94 174.27 1wg1 s LEU 98 N -2.56 3.68 -0.73 0.37 1.43 0.64 -2.14 118.68 119.36 1wg1 s LEU 98 Ca 0.03 0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.16 1wg1 s LEU 98 Cb 0.02 -1.90 0.19 0.00 0.03 0.00 0.00 46.19 44.53 1wg1 s LEU 98 CO -0.05 0.24 0.59 -0.69 0.23 0.00 0.00 176.35 176.66 1wg1 s VAL 99 N -0.02 4.25 0.45 -1.59 1.01 -0.37 -1.95 120.40 122.18 1wg1 s VAL 99 Ca 0.05 -3.08 0.01 0.00 0.00 0.00 0.00 61.98 58.96 1wg1 s VAL 99 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1wg1 s VAL 99 CO 0.01 -0.96 0.66 -0.54 0.00 0.00 0.00 175.10 174.28 1wg1 s LYS 100 N -0.33 2.99 -0.65 2.72 1.02 -0.25 -1.79 119.74 123.44 1wg1 s LYS 100 Ca 0.20 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 1wg1 s LYS 100 Cb -0.16 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1wg1 s LYS 100 CO -0.06 -0.30 0.55 -1.71 -0.92 0.00 0.00 175.35 172.90 1wg1 n ASN 101 N -2.07 -2.55 -4.94 2.83 5.15 -1.21 -0.46 115.26 112.01 1wg1 n ASN 101 Ca 0.02 -0.36 -0.26 0.00 -0.60 0.00 0.00 54.58 53.39 1wg1 n ASN 101 Cb 0.58 -3.09 -0.03 0.00 -0.53 0.00 0.00 39.78 36.71 1wg1 n ASN 101 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wg1 s LEU 102 N -4.41 4.21 0.00 1.20 1.43 -1.23 -4.19 118.68 115.69 1wg1 s LEU 102 Ca 0.05 0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.40 1wg1 s LEU 102 Cb -0.01 -3.13 0.14 0.00 0.03 0.00 0.00 46.19 43.22 1wg1 s LEU 102 CO 0.41 -0.09 0.50 -0.81 0.23 0.00 0.00 176.35 176.59 1wg1 n PRO 103 N -0.97 -2.02 0.06 1.29 -0.04 -1.26 -4.89 135.00 127.18 1wg1 n PRO 103 Ca -0.05 -0.80 -0.10 0.00 -0.04 0.00 0.00 63.50 62.50 1wg1 n PRO 103 Cb 0.55 -0.75 -0.13 0.00 -0.04 0.00 0.00 33.50 33.12 1wg1 n PRO 103 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1wg1 h GLN 104 N 0.00 0.09 -0.69 0.54 4.15 -1.98 -3.27 115.11 113.96 1wg1 h GLN 104 Ca -0.19 -0.16 -0.26 0.00 0.77 0.00 0.00 58.65 58.82 1wg1 h GLN 104 Cb 0.58 0.06 -0.15 0.00 0.21 0.00 0.00 27.48 28.17 1wg1 h GLN 104 CO 0.12 1.02 0.27 -3.47 -1.93 0.00 0.00 178.83 174.85 1wg1 n ASP 105 N -3.38 4.09 -4.76 -0.69 -0.08 -1.26 -5.01 116.55 105.46 1wg1 n ASP 105 Ca -0.05 -3.39 -0.41 0.00 -1.51 0.00 0.00 54.79 49.43 1wg1 n ASP 105 Cb 0.98 -0.73 0.01 0.00 2.34 0.00 0.00 41.12 43.72 1wg1 n ASP 105 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1wg1 n SER 106 N -0.59 3.44 -3.85 1.67 2.88 -1.24 -5.01 113.62 110.92 1wg1 n SER 106 Ca 0.42 1.17 -0.09 0.00 -1.33 0.00 0.00 58.87 59.04 1wg1 n SER 106 Cb 1.35 -1.60 -0.05 0.00 -0.75 0.00 0.00 64.21 63.16 1wg1 n SER 106 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1wg1 s ASN 107 N -0.31 -0.13 0.03 -3.46 0.01 -1.26 -4.91 114.94 104.91 1wg1 s ASN 107 Ca 0.57 -0.68 -0.30 0.00 -0.71 0.00 0.00 52.86 51.75 1wg1 s ASN 107 Cb -0.47 0.53 -0.17 0.00 0.41 0.00 0.00 41.25 41.55 1wg1 s ASN 107 CO 0.61 -1.01 1.32 0.00 -1.51 0.00 0.00 177.10 176.51 1wg1 n GLN 109 N -5.42 -0.01 0.05 0.00 7.27 -1.26 0.75 117.38 118.75 1wg1 n GLN 109 Ca -0.13 1.07 -0.11 0.00 0.07 0.00 0.00 57.00 57.90 1wg1 n GLN 109 Cb 0.38 -2.29 -0.08 0.00 2.41 0.00 0.00 30.24 30.66 1wg1 n GLN 109 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1wg1 h GLU 110 N 0.00 -0.19 -0.06 3.69 4.39 -1.92 -3.20 114.58 117.28 1wg1 h GLU 110 Ca 0.84 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.55 1wg1 h GLU 110 Cb 3.10 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 31.79 1wg1 h GLU 110 CO -0.20 0.26 0.02 0.28 -1.16 0.00 0.00 179.01 178.22 1wg1 h VAL 111 N -0.83 1.15 -0.97 3.13 2.07 0.49 -2.61 116.25 118.68 1wg1 h VAL 111 Ca -0.02 -0.44 0.09 0.00 0.82 0.00 0.00 66.70 67.16 1wg1 h VAL 111 Cb 0.54 1.32 -0.12 0.00 -1.52 0.00 0.00 31.29 31.51 1wg1 h VAL 111 CO 0.03 0.12 -0.58 -0.74 0.02 0.00 0.00 177.57 176.43 1wg1 h HIS 112 N -0.06 -1.85 -0.84 1.57 6.17 -0.61 0.46 115.15 119.98 1wg1 h HIS 112 Ca 0.02 0.13 0.04 0.00 0.71 0.00 0.00 60.37 61.27 1wg1 h HIS 112 Cb 0.18 0.94 -0.05 0.00 2.52 0.00 0.00 27.41 30.99 1wg1 h HIS 112 CO -0.02 -0.38 0.53 0.22 0.71 0.00 0.00 177.93 179.00 1wg1 h ASP 113 N -0.02 0.88 -1.01 3.26 3.58 -1.54 -1.81 116.42 119.76 1wg1 h ASP 113 Ca 0.16 -0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.67 1wg1 h ASP 113 Cb 0.43 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 41.22 1wg1 h ASP 113 CO -0.92 0.60 0.65 0.25 -2.88 0.00 0.00 179.24 176.93 1wg1 h LEU 114 N 1.03 1.05 -3.98 2.28 5.85 0.12 -2.06 115.31 119.59 1wg1 h LEU 114 Ca 0.34 0.01 -0.65 0.00 0.84 0.00 0.00 57.88 58.42 1wg1 h LEU 114 Cb 0.04 -0.22 -0.33 0.00 0.37 0.00 0.00 40.66 40.52 1wg1 h LEU 114 CO -0.13 0.67 0.39 0.18 -0.34 0.00 0.00 178.44 179.22 1wg1 n LEU 115 N -4.49 6.90 -0.03 2.25 4.77 0.79 -4.70 117.00 122.49 1wg1 n LEU 115 Ca 0.15 -4.45 -0.11 0.00 -0.03 0.00 0.00 56.01 51.57 1wg1 n LEU 115 Cb 0.17 -0.80 -0.05 0.00 -2.33 0.00 0.00 43.42 40.41 1wg1 n LEU 115 CO 0.32 1.67 0.86 0.07 -1.33 0.00 0.00 177.39 178.99 1wg1 h LYS 116 N 2.10 0.21 -0.94 3.23 2.10 -0.61 -2.92 116.57 119.74 1wg1 h LYS 116 Ca 0.54 -0.03 0.25 0.00 -2.00 0.00 0.00 60.65 59.41 1wg1 h LYS 116 Cb 0.98 -0.04 -0.17 0.00 -0.90 0.00 0.00 32.23 32.10 1wg1 h LYS 116 CO 1.35 0.26 0.03 -0.44 -2.00 0.00 0.00 179.45 178.65 1wg1 h ASP 117 N 0.10 -0.43 -3.43 7.07 3.32 -1.84 -3.40 116.42 117.82 1wg1 h ASP 117 Ca 0.05 0.26 -0.48 0.00 0.02 0.00 0.00 57.03 56.88 1wg1 h ASP 117 Cb 0.12 0.45 0.04 0.00 0.22 0.00 0.00 39.33 40.15 1wg1 h ASP 117 CO -0.01 -0.31 0.08 -0.31 -1.72 0.00 0.00 179.24 176.98 1wg1 s TYR 118 N -6.03 3.42 -0.18 4.55 1.51 -1.10 -5.06 117.35 114.47 1wg1 s TYR 118 Ca -0.13 0.65 -0.18 0.00 -1.01 0.00 0.00 57.07 56.40 1wg1 s TYR 118 Cb 0.28 -2.40 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1wg1 s TYR 118 CO 0.77 -0.42 0.50 -0.51 -1.11 0.00 0.00 175.55 174.78 1wg1 s ASP 119 N -4.18 6.59 -0.18 2.29 1.11 -1.26 -4.96 116.67 116.09 1wg1 s ASP 119 Ca 0.49 0.71 -0.10 0.00 0.18 0.00 0.00 52.55 53.82 1wg1 s ASP 119 Cb -0.10 -2.29 -0.05 0.00 1.07 0.00 0.00 42.92 41.55 1wg1 s ASP 119 CO 0.43 -0.13 0.16 -0.76 1.18 0.00 0.00 175.17 176.06 1wg1 s LEU 120 N 1.35 4.25 -0.24 1.23 1.02 -1.26 -2.72 118.68 122.31 1wg1 s LEU 120 Ca 0.24 0.33 -0.11 0.00 0.02 0.00 0.00 54.13 54.62 1wg1 s LEU 120 Cb -0.15 -2.14 -0.10 0.00 0.02 0.00 0.00 46.19 43.81 1wg1 s LEU 120 CO 0.10 0.21 -0.30 0.29 0.02 0.00 0.00 176.35 176.67 1wg1 n LYS 121 N 3.22 0.50 -3.79 1.70 4.01 0.09 -5.02 118.16 118.88 1wg1 n LYS 121 Ca -0.16 0.21 -0.13 0.00 -0.51 0.00 0.00 58.31 57.73 1wg1 n LYS 121 Cb 0.52 -1.34 -0.13 0.00 -0.51 0.00 0.00 35.03 33.57 1wg1 n LYS 121 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1wg1 s TYR 122 N -2.43 -0.17 -0.06 2.13 6.14 -1.25 -5.00 117.35 116.72 1wg1 s TYR 122 Ca -0.33 0.43 0.01 0.00 0.64 0.00 0.00 57.07 57.83 1wg1 s TYR 122 Cb 0.12 0.01 0.02 0.00 0.42 0.00 0.00 41.96 42.53 1wg1 s TYR 122 CO 0.42 -0.11 -0.07 0.00 0.64 0.00 0.00 175.55 176.42 1wg1 s TYR 124 N 0.88 1.67 -0.10 0.00 6.14 -0.69 -4.96 117.35 120.29 1wg1 s TYR 124 Ca -0.11 -1.82 -0.27 0.00 0.64 0.00 0.00 57.07 55.51 1wg1 s TYR 124 Cb -0.15 -1.69 -0.02 0.00 0.42 0.00 0.00 41.96 40.52 1wg1 s TYR 124 CO 0.01 -0.86 0.89 0.08 0.64 0.00 0.00 175.55 176.31 1wg1 s VAL 125 N 1.41 4.88 -0.49 3.14 1.01 -1.26 -1.64 120.40 127.45 1wg1 s VAL 125 Ca 0.11 1.80 0.03 0.00 0.00 0.00 0.00 61.98 63.92 1wg1 s VAL 125 Cb -0.19 -4.21 0.13 0.00 0.00 0.00 0.00 36.38 32.11 1wg1 s VAL 125 CO -0.20 0.09 0.24 -1.81 0.00 0.00 0.00 175.10 173.41 1wg1 s ASP 126 N 1.05 4.52 0.19 3.32 1.01 -0.48 -4.96 116.67 121.33 1wg1 s ASP 126 Ca 0.44 -2.81 -0.12 0.00 0.71 0.00 0.00 52.55 50.77 1wg1 s ASP 126 Cb -0.18 -1.67 0.12 0.00 1.01 0.00 0.00 42.92 42.20 1wg1 s ASP 126 CO 0.18 -0.28 1.86 0.08 0.21 0.00 0.00 175.17 177.22 1wg1 h ARG 127 N 6.81 0.87 -1.19 8.23 0.11 -1.91 1.19 114.38 128.49 1wg1 h ARG 127 Ca -0.07 -0.05 0.34 0.00 0.10 0.00 0.00 59.98 60.30 1wg1 h ARG 127 Cb 0.93 -0.19 -0.09 0.00 1.11 0.00 0.00 29.97 31.72 1wg1 h ARG 127 CO 0.66 0.57 0.79 -0.91 0.10 0.00 0.00 179.97 181.19 1wg1 h ASN 128 N 0.89 0.26 0.00 0.08 4.21 -1.97 0.15 115.58 119.20 1wg1 h ASN 128 Ca 0.24 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1wg1 h ASN 128 Cb -0.10 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.14 1wg1 h ASN 128 CO -0.05 -0.00 -0.03 0.29 -1.29 0.00 0.00 177.43 176.34 1wg1 n LYS 129 N -4.49 1.91 -4.14 0.81 5.02 -0.79 -5.01 118.16 111.47 1wg1 n LYS 129 Ca 0.29 -1.77 -0.35 0.00 -2.02 0.00 0.00 58.31 54.46 1wg1 n LYS 129 Cb 1.16 -1.10 -0.05 0.00 -0.02 0.00 0.00 35.03 35.02 1wg1 n LYS 129 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wg1 n ARG 130 N -0.76 -0.65 -3.64 1.97 1.74 0.39 -4.87 116.66 110.84 1wg1 n ARG 130 Ca 0.06 0.05 -0.18 0.00 -0.77 0.00 0.00 57.85 57.01 1wg1 n ARG 130 Cb 0.44 -2.85 -0.16 0.00 -1.02 0.00 0.00 32.46 28.88 1wg1 n ARG 130 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1wg1 s THR 131 N -4.01 -0.23 -0.19 0.55 2.01 -0.24 -3.35 115.64 110.18 1wg1 s THR 131 Ca 0.20 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.41 1wg1 s THR 131 Cb -0.11 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1wg1 s THR 131 CO 0.92 0.07 -0.02 0.00 -0.69 0.00 0.00 174.62 174.90 1wg1 s ALA 132 N 2.26 2.96 -0.27 7.40 0.00 -0.74 -1.38 121.76 132.00 1wg1 s ALA 132 Ca 0.04 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 1wg1 s ALA 132 Cb -0.13 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1wg1 s ALA 132 CO -0.06 -0.11 0.52 -0.06 0.00 0.00 0.00 175.76 176.04 1wg1 s PHE 133 N 0.94 3.26 -0.10 0.00 0.08 -0.65 -1.24 117.98 120.27 1wg1 s PHE 133 Ca 0.01 0.61 0.03 0.00 0.12 0.00 0.00 56.93 57.69 1wg1 s PHE 133 Cb -0.14 -2.74 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 1wg1 s PHE 133 CO 0.01 -0.30 -0.18 0.08 -0.10 0.00 0.00 175.22 174.73 1wg1 s VAL 134 N 2.33 2.66 -0.37 -0.44 1.01 -0.91 -1.70 120.40 122.97 1wg1 s VAL 134 Ca 0.21 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 1wg1 s VAL 134 Cb -0.16 -2.06 0.06 0.00 0.00 0.00 0.00 36.38 34.23 1wg1 s VAL 134 CO 0.09 0.55 0.15 -0.89 0.00 0.00 0.00 175.10 175.00 1wg1 s THR 135 N 0.05 3.68 0.96 3.92 2.01 -0.69 -0.45 115.64 125.11 1wg1 s THR 135 Ca -0.07 -1.41 -0.16 0.00 0.31 0.00 0.00 61.69 60.36 1wg1 s THR 135 Cb -0.15 -3.21 0.19 0.00 0.01 0.00 0.00 72.50 69.34 1wg1 s THR 135 CO 0.05 -0.35 1.29 -0.76 -0.69 0.00 0.00 174.62 174.16 1wg1 s LEU 136 N 1.34 2.55 0.00 4.42 1.43 -1.18 -0.73 118.68 126.51 1wg1 s LEU 136 Ca 0.01 0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 53.29 1wg1 s LEU 136 Cb -0.21 -2.44 -0.10 0.00 0.03 0.00 0.00 46.19 43.47 1wg1 s LEU 136 CO 0.01 -2.73 0.91 0.25 0.23 0.00 0.00 176.35 175.01 1wg1 h LEU 137 N -1.64 -0.55 -9.66 1.79 5.85 -1.84 -3.43 115.31 105.83 1wg1 h LEU 137 Ca -0.45 0.02 -0.62 0.00 0.84 0.00 0.00 57.88 57.68 1wg1 h LEU 137 Cb 1.25 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 42.29 1wg1 h LEU 137 CO 0.41 -0.26 -0.59 0.20 -0.34 0.00 0.00 178.44 177.87 1wg1 s ASN 138 N -4.01 3.70 -0.05 1.25 0.01 -1.26 -4.89 114.94 109.69 1wg1 s ASN 138 Ca -0.10 -1.42 -0.24 0.00 -0.71 0.00 0.00 52.86 50.40 1wg1 s ASN 138 Cb 0.01 -0.20 -0.24 0.00 0.41 0.00 0.00 41.25 41.23 1wg1 s ASN 138 CO 0.29 -0.54 1.01 1.23 -1.51 0.00 0.00 177.10 177.57 1wg1 h GLY 139 N 1.75 0.23 -0.45 0.66 0.00 -1.85 -3.25 103.07 100.15 1wg1 h GLY 139 Ca -0.43 -0.42 0.33 0.00 0.00 0.00 0.00 47.33 46.81 1wg1 h GLY 139 CO 0.78 0.37 0.79 1.05 0.00 0.00 0.00 176.54 179.53 1wg1 h GLU 140 N -0.47 0.18 -0.34 4.80 9.09 -1.94 0.51 114.58 126.41 1wg1 h GLU 140 Ca -0.04 -0.01 -0.15 0.00 0.05 0.00 0.00 59.36 59.21 1wg1 h GLU 140 Cb 1.10 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 28.15 1wg1 h GLU 140 CO 0.06 0.12 -0.36 1.96 0.05 0.00 0.00 179.01 180.85 1wg1 h GLN 141 N 0.19 0.84 -0.02 1.06 4.20 -1.93 -3.28 115.11 116.17 1wg1 h GLN 141 Ca 0.64 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1wg1 h GLN 141 Cb 2.04 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.84 1wg1 h GLN 141 CO -0.21 1.09 -0.03 0.00 -0.67 0.00 0.00 178.83 179.01 1wg1 h ALA 142 N 0.74 0.03 -1.26 3.87 0.00 -0.16 -1.98 119.26 120.49 1wg1 h ALA 142 Ca 0.05 -0.29 0.40 0.00 0.00 0.00 0.00 54.91 55.07 1wg1 h ALA 142 Cb 0.95 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1wg1 h ALA 142 CO 0.09 -0.16 0.86 1.04 0.00 0.00 0.00 179.25 181.07 1wg1 n GLN 143 N -4.77 -0.02 -0.09 0.00 1.13 0.34 -0.29 117.38 113.68 1wg1 n GLN 143 Ca -0.08 0.92 -0.13 0.00 -1.94 0.00 0.00 57.00 55.77 1wg1 n GLN 143 Cb 0.30 -1.93 -0.05 0.00 0.11 0.00 0.00 30.24 28.67 1wg1 n GLN 143 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1wg1 n ASN 144 N -3.95 1.89 0.13 1.08 3.02 -1.20 -4.25 115.26 111.99 1wg1 n ASN 144 Ca 0.33 0.44 0.14 0.00 -0.03 0.00 0.00 54.58 55.46 1wg1 n ASN 144 Cb 1.36 -0.82 0.39 0.00 -0.61 0.00 0.00 39.78 40.10 1wg1 n ASN 144 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wg1 h ALA 145 N -0.94 2.20 -1.38 5.41 0.00 -0.20 0.27 119.26 124.62 1wg1 h ALA 145 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wg1 h ALA 145 Cb 1.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1wg1 h ALA 145 CO -0.10 -1.07 0.00 -0.89 0.00 0.00 0.00 179.25 177.19 1wg1 n ILE 146 N -2.97 0.00 -0.11 0.00 5.41 0.60 -2.38 119.36 119.92 1wg1 n ILE 146 Ca 0.08 0.71 0.02 0.00 1.00 0.00 0.00 62.75 64.56 1wg1 n ILE 146 Cb 1.00 -1.45 0.33 0.00 -0.71 0.00 0.00 39.64 38.81 1wg1 n ILE 146 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1wg1 h GLN 147 N 0.00 0.77 -0.04 0.38 1.08 -1.56 1.15 115.11 116.89 1wg1 h GLN 147 Ca 0.00 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1wg1 h GLN 147 Cb 0.00 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 1wg1 h GLN 147 CO 0.00 0.52 -0.14 0.52 -0.95 0.00 0.00 178.83 178.78 1wg1 h MET 148 N 0.79 -0.20 0.00 1.46 2.86 -0.63 -2.60 114.93 116.62 1wg1 h MET 148 Ca 0.21 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1wg1 h MET 148 Cb -0.08 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1wg1 h MET 148 CO -0.04 -0.13 -0.65 0.74 1.06 0.00 0.00 176.91 177.89 1wg1 h PHE 149 N -0.21 0.00 -1.73 -0.22 -1.00 -1.13 -3.47 116.94 109.17 1wg1 h PHE 149 Ca 0.06 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 60.16 1wg1 h PHE 149 Cb 0.29 0.00 0.04 0.00 3.61 0.00 0.00 35.95 39.89 1wg1 h PHE 149 CO -0.21 0.00 0.61 1.58 -1.61 0.00 0.00 178.31 178.68 1wg1 n HIS 150 N -2.42 1.74 -3.13 -0.55 -0.00 0.39 -1.33 115.22 109.92 1wg1 n HIS 150 Ca 0.02 0.55 -0.14 0.00 0.46 0.00 0.00 57.72 58.61 1wg1 n HIS 150 Cb 0.49 -2.40 0.06 0.00 -0.12 0.00 0.00 29.99 28.02 1wg1 n HIS 150 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wg1 n GLN 151 N 3.38 -5.10 -3.77 1.57 6.02 0.17 -4.94 117.38 114.72 1wg1 n GLN 151 Ca 0.20 0.59 -0.32 0.00 -0.01 0.00 0.00 57.00 57.46 1wg1 n GLN 151 Cb 0.19 -4.87 -0.04 0.00 1.02 0.00 0.00 30.24 26.54 1wg1 n GLN 151 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1wg1 s TYR 152 N -3.24 3.50 -0.13 1.08 5.04 -0.44 -4.82 117.35 118.34 1wg1 s TYR 152 Ca 0.20 0.44 -0.29 0.00 -2.44 0.00 0.00 57.07 54.98 1wg1 s TYR 152 Cb -0.09 -1.91 -0.02 0.00 0.35 0.00 0.00 41.96 40.29 1wg1 s TYR 152 CO 0.51 0.51 1.31 0.45 -1.34 0.00 0.00 175.55 176.99 1wg1 s SER 153 N -2.40 6.92 -0.27 4.32 0.15 -1.26 -1.70 113.70 119.45 1wg1 s SER 153 Ca 0.38 1.79 -0.01 0.00 0.70 0.00 0.00 55.95 58.81 1wg1 s SER 153 Cb -0.13 -2.54 0.16 0.00 -1.71 0.00 0.00 66.02 61.80 1wg1 s SER 153 CO 0.25 -0.76 0.44 0.12 1.20 0.00 0.00 173.24 174.49 1wg1 s PHE 154 N 3.37 -1.09 -1.53 3.44 5.36 -0.21 -4.89 117.98 122.42 1wg1 s PHE 154 Ca 0.58 0.90 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 1wg1 s PHE 154 Cb -0.24 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.55 1wg1 s PHE 154 CO 0.18 -0.84 0.00 0.54 -1.46 0.00 0.00 175.22 173.64 1wg1 n ARG 155 N 5.38 -1.29 0.00 10.12 5.12 -1.26 -1.99 116.66 132.73 1wg1 n ARG 155 Ca -0.02 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.80 1wg1 n ARG 155 Cb 0.50 -5.26 0.00 0.00 -1.16 0.00 0.00 32.46 26.54 1wg1 n ARG 155 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wg1 n GLY 156 N -0.99 2.82 3.92 -0.13 0.00 -1.26 -5.01 105.19 104.53 1wg1 n GLY 156 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1wg1 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wg1 s LYS 157 N -0.03 3.05 -0.43 1.61 -0.14 -0.84 -5.04 119.74 117.91 1wg1 s LYS 157 Ca 0.00 -0.01 -0.08 0.00 -1.36 0.00 0.00 55.97 54.52 1wg1 s LYS 157 Cb 0.00 -2.32 0.10 0.00 -1.68 0.00 0.00 37.83 33.93 1wg1 s LYS 157 CO 0.00 -0.57 0.28 -0.51 -0.76 0.00 0.00 175.35 173.79 1wg1 s ASP 158 N -4.26 5.60 0.14 2.83 1.01 -1.26 -1.05 116.67 119.69 1wg1 s ASP 158 Ca 0.52 -1.70 -0.34 0.00 0.71 0.00 0.00 52.55 51.74 1wg1 s ASP 158 Cb -0.10 -1.97 -0.13 0.00 1.01 0.00 0.00 42.92 41.72 1wg1 s ASP 158 CO 0.44 -0.59 1.64 0.18 0.21 0.00 0.00 175.17 177.05 1wg1 n LEU 159 N 4.87 3.28 -4.27 1.23 4.77 -0.69 -4.67 117.00 121.53 1wg1 n LEU 159 Ca -0.08 1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 56.55 1wg1 n LEU 159 Cb 0.42 -1.44 -0.09 0.00 -2.33 0.00 0.00 43.42 39.97 1wg1 n LEU 159 CO 0.39 -0.19 -0.07 -0.63 -1.33 0.00 0.00 177.39 175.56 1wg1 s ILE 160 N 1.35 4.34 -0.18 -0.08 -1.09 0.40 0.46 121.20 126.40 1wg1 s ILE 160 Ca 0.80 -1.43 -0.15 0.00 -2.23 0.00 0.00 60.65 57.64 1wg1 s ILE 160 Cb -0.65 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 1wg1 s ILE 160 CO 0.39 -0.56 0.35 -0.69 -1.23 0.00 0.00 174.94 173.19 1wg1 s VAL 161 N 1.44 5.25 0.25 2.92 1.01 -1.26 -1.09 120.40 128.92 1wg1 s VAL 161 Ca 0.04 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 1wg1 s VAL 161 Cb -0.24 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1wg1 s VAL 161 CO 0.02 0.32 0.24 0.00 0.00 0.00 0.00 175.10 175.67 1wg1 s GLN 162 N 0.89 1.43 0.79 2.72 -2.07 -0.82 -4.62 119.66 117.98 1wg1 s GLN 162 Ca 0.18 -1.69 -0.11 0.00 -1.82 0.00 0.00 55.36 51.91 1wg1 s GLN 162 Cb -0.14 0.32 0.06 0.00 -1.09 0.00 0.00 33.01 32.17 1wg1 s GLN 162 CO 0.06 -0.52 1.10 -0.51 -1.32 0.00 0.00 175.29 174.10 1wg1 s LEU 163 N -3.20 2.63 0.12 2.60 2.01 -1.26 -0.26 118.68 121.32 1wg1 s LEU 163 Ca 0.37 1.30 -0.16 0.00 0.01 0.00 0.00 54.13 55.64 1wg1 s LEU 163 Cb 0.04 -3.93 -0.07 0.00 0.01 0.00 0.00 46.19 42.25 1wg1 s LEU 163 CO 0.16 -1.91 0.56 -1.10 1.01 0.00 0.00 176.35 175.08 1wg1 s GLN 164 N -5.17 4.07 1.18 1.70 -0.21 -1.25 -4.47 119.66 115.51 1wg1 s GLN 164 Ca 0.60 0.60 -0.18 0.00 0.02 0.00 0.00 55.36 56.40 1wg1 s GLN 164 Cb -0.14 -3.03 0.28 0.00 1.00 0.00 0.00 33.01 31.11 1wg1 s GLN 164 CO 0.54 0.53 1.11 -1.25 -2.12 0.00 0.00 175.29 174.10 1wg1 s PRO 165 N -1.66 -1.04 -0.26 2.91 0.04 -1.26 -5.09 135.00 128.63 1wg1 s PRO 165 Ca 0.35 -0.00 -0.23 0.00 0.04 0.00 0.00 61.00 61.16 1wg1 s PRO 165 Cb -0.17 -1.61 0.07 0.00 0.04 0.00 0.00 34.50 32.83 1wg1 s PRO 165 CO 0.19 -3.61 0.69 0.99 0.04 0.00 0.00 177.00 175.30 1wg1 s THR 166 N -3.00 -0.00 -0.37 1.26 2.01 -1.26 -5.06 115.64 109.22 1wg1 s THR 166 Ca 0.70 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.79 1wg1 s THR 166 Cb -0.11 -0.96 0.44 0.00 0.01 0.00 0.00 72.50 71.88 1wg1 s THR 166 CO 0.56 0.00 1.12 -0.90 -0.69 0.00 0.00 174.62 174.71 1wg1 n ASP 167 N 2.96 4.13 -4.02 3.53 5.75 -1.26 -4.95 116.55 122.70 1wg1 n ASP 167 Ca -0.15 -3.47 -0.33 0.00 -0.01 0.00 0.00 54.79 50.83 1wg1 n ASP 167 Cb 0.56 -0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 40.11 1wg1 n ASP 167 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wg1 s ALA 168 N -3.53 3.76 0.58 2.12 0.00 -1.26 -4.91 121.76 118.52 1wg1 s ALA 168 Ca 0.45 -3.58 0.28 0.00 0.00 0.00 0.00 51.96 49.11 1wg1 s ALA 168 Cb 0.40 -2.47 1.56 0.00 0.00 0.00 0.00 23.12 22.62 1wg1 s ALA 168 CO -0.08 -2.10 2.03 1.25 0.00 0.00 0.00 175.76 176.87 1wg1 h LEU 169 N 6.21 0.00 -2.79 0.00 7.12 -2.07 0.22 115.31 123.99 1wg1 h LEU 169 Ca 0.06 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 57.91 1wg1 h LEU 169 Cb 0.85 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 40.88 1wg1 h LEU 169 CO 0.74 0.00 0.21 0.00 -0.13 0.00 0.00 178.44 179.26 1wg1 n LEU 170 N -3.87 4.42 -3.85 2.25 -0.00 -1.26 -4.98 117.00 109.70 1wg1 n LEU 170 Ca 0.04 -2.29 -0.53 0.00 -0.00 0.00 0.00 56.01 53.23 1wg1 n LEU 170 Cb 0.44 -0.65 -0.08 0.00 -0.00 0.00 0.00 43.42 43.14 1wg1 n LEU 170 CO 0.29 0.65 0.75 0.00 -0.00 0.00 0.00 177.39 179.08 1wg1 n SER 172 N 2.43 2.03 0.00 0.00 7.64 -1.26 -5.07 113.62 119.39 1wg1 n SER 172 Ca 0.22 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1wg1 n SER 172 Cb 0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1wg1 n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg1 n GLY 173 N 1.87 1.12 0.00 0.23 0.00 -1.26 -4.54 105.19 102.60 1wg1 n GLY 173 Ca -0.37 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 44.87 1wg1 n GLY 173 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wg1 n PRO 174 N 0.00 0.49 -3.45 1.61 -0.04 -1.09 -4.34 135.00 128.18 1wg1 n PRO 174 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 1wg1 n PRO 174 Cb 0.00 -1.44 0.08 0.00 -0.04 0.00 0.00 33.50 32.10 1wg1 n PRO 174 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wg1 n SER 175 N -0.94 -4.75 -3.74 3.54 7.64 -1.26 -5.01 113.62 109.09 1wg1 n SER 175 Ca 0.10 -0.52 -0.12 0.00 1.01 0.00 0.00 58.87 59.34 1wg1 n SER 175 Cb 0.05 -4.70 -0.13 0.00 -1.01 0.00 0.00 64.21 58.42 1wg1 n SER 175 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wg1 s SER 176 N -3.60 -0.27 0.00 6.43 0.15 -1.26 -5.16 113.70 109.98 1wg1 s SER 176 Ca 0.37 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1wg1 s SER 176 Cb -0.16 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1wg1 s SER 176 CO 0.67 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.58