#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg1 n SER 91 N 0.00 -5.80 -4.44 1.61 7.64 -1.26 -4.99 113.62 106.38 1wg1 n SER 91 Ca 0.00 -0.48 -0.35 0.00 1.01 0.00 0.00 58.87 59.05 1wg1 n SER 91 Cb 0.00 -4.52 -0.13 0.00 -1.01 0.00 0.00 64.21 58.56 1wg1 n SER 91 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg1 s SER 92 N -3.31 4.78 -0.15 6.43 0.01 -1.26 -4.84 113.70 115.37 1wg1 s SER 92 Ca 0.51 -0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.51 1wg1 s SER 92 Cb -0.22 -1.82 0.02 0.00 0.21 0.00 0.00 66.02 64.20 1wg1 s SER 92 CO 0.65 0.06 0.08 0.61 0.41 0.00 0.00 173.24 175.04 1wg1 n GLY 93 N 4.28 -4.07 3.66 3.44 0.00 -1.26 -3.97 105.19 107.27 1wg1 n GLY 93 Ca -0.17 0.58 -0.49 0.00 0.00 0.00 0.00 46.02 45.95 1wg1 n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg1 n SER 94 N 0.74 3.30 -3.68 1.61 7.64 -1.26 -4.16 113.62 117.81 1wg1 n SER 94 Ca -0.13 0.88 -0.33 0.00 1.01 0.00 0.00 58.87 60.29 1wg1 n SER 94 Cb 0.21 -1.37 0.03 0.00 -1.01 0.00 0.00 64.21 62.07 1wg1 n SER 94 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wg1 n SER 95 N 7.21 -4.87 0.00 6.43 3.41 -1.26 -4.73 113.62 119.81 1wg1 n SER 95 Ca 0.25 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1wg1 n SER 95 Cb 0.29 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1wg1 n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg1 n GLY 96 N 2.91 1.81 3.28 5.00 0.00 -1.26 -4.85 105.19 112.08 1wg1 n GLY 96 Ca 0.01 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1wg1 n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wg1 s ILE 97 N -2.57 0.08 -0.21 -0.61 -4.36 -0.07 -4.35 121.20 109.11 1wg1 s ILE 97 Ca 0.00 -0.64 -0.08 0.00 -0.26 0.00 0.00 60.65 59.67 1wg1 s ILE 97 Cb 0.00 -1.02 -0.04 0.00 1.25 0.00 0.00 42.46 42.65 1wg1 s ILE 97 CO 0.00 -0.35 0.08 -0.76 0.24 0.00 0.00 174.94 174.14 1wg1 s LEU 98 N -2.25 3.75 -0.79 0.37 1.43 0.60 -2.12 118.68 119.68 1wg1 s LEU 98 Ca -0.03 0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 1wg1 s LEU 98 Cb 0.00 -1.97 0.21 0.00 0.03 0.00 0.00 46.19 44.46 1wg1 s LEU 98 CO -0.05 0.10 0.70 -0.69 0.23 0.00 0.00 176.35 176.64 1wg1 s VAL 99 N 0.80 5.26 0.31 -1.59 1.01 -0.33 -2.06 120.40 123.79 1wg1 s VAL 99 Ca 0.04 -2.54 0.03 0.00 0.00 0.00 0.00 61.98 59.51 1wg1 s VAL 99 Cb -0.13 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1wg1 s VAL 99 CO 0.02 -1.00 0.47 -0.54 0.00 0.00 0.00 175.10 174.05 1wg1 s LYS 100 N 0.15 3.41 -0.44 2.72 1.02 -0.37 -1.24 119.74 124.99 1wg1 s LYS 100 Ca 0.17 -0.58 -0.00 0.00 0.02 0.00 0.00 55.97 55.59 1wg1 s LYS 100 Cb -0.12 -2.76 -0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1wg1 s LYS 100 CO -0.08 0.24 0.37 -1.71 -0.92 0.00 0.00 175.35 173.25 1wg1 n ASN 101 N -1.63 -2.24 -4.91 2.83 5.15 -1.17 -0.39 115.26 112.89 1wg1 n ASN 101 Ca -0.06 -0.24 -0.27 0.00 -0.60 0.00 0.00 54.58 53.41 1wg1 n ASN 101 Cb 0.57 -2.23 -0.02 0.00 -0.53 0.00 0.00 39.78 37.57 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 -3.66 3.86 0.00 1.20 1.43 -1.15 -4.26 118.68 116.09 1wg1 s LEU 102 Ca 0.02 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1wg1 s LEU 102 Cb -0.00 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1wg1 s LEU 102 CO 0.27 -0.38 0.00 -0.81 0.23 0.00 0.00 176.35 175.66 1wg1 n PRO 103 N -1.64 0.25 -0.02 1.29 -0.04 -1.26 -4.91 135.00 128.67 1wg1 n PRO 103 Ca -0.01 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 1wg1 n PRO 103 Cb 0.55 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.87 1wg1 n PRO 103 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1wg1 n GLN 104 N -0.56 0.66 -1.21 0.54 -0.06 -1.26 -4.14 117.38 111.36 1wg1 n GLN 104 Ca 0.00 0.27 -0.20 0.00 -2.00 0.00 0.00 57.00 55.07 1wg1 n GLN 104 Cb 0.00 -1.76 0.15 0.00 -4.06 0.00 0.00 30.24 24.57 1wg1 n GLN 104 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1wg1 n ASP 105 N -3.13 4.38 -4.75 1.69 5.68 -1.26 -5.02 116.55 114.14 1wg1 n ASP 105 Ca -0.21 -3.73 -0.37 0.00 -0.50 0.00 0.00 54.79 49.98 1wg1 n ASP 105 Cb 1.06 -0.76 0.04 0.00 -1.14 0.00 0.00 41.12 40.32 1wg1 n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1wg1 s SER 106 N -2.07 5.13 0.17 -1.12 0.15 -1.26 -5.03 113.70 109.68 1wg1 s SER 106 Ca 0.54 2.56 -0.23 0.00 0.70 0.00 0.00 55.95 59.52 1wg1 s SER 106 Cb 0.46 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 62.21 1wg1 s SER 106 CO 0.04 -1.64 0.66 0.20 1.20 0.00 0.00 173.24 173.69 1wg1 s ASN 107 N -1.33 -0.48 0.05 5.45 0.01 -1.26 -5.00 114.94 112.39 1wg1 s ASN 107 Ca 0.76 -0.14 -0.29 0.00 -0.71 0.00 0.00 52.86 52.48 1wg1 s ASN 107 Cb -0.35 0.61 -0.18 0.00 0.41 0.00 0.00 41.25 41.74 1wg1 s ASN 107 CO 0.39 -1.02 1.50 0.00 -1.51 0.00 0.00 177.10 176.46 1wg1 h GLN 109 N -0.77 0.04 -0.16 0.00 3.07 -1.99 0.74 115.11 116.04 1wg1 h GLN 109 Ca -0.07 -0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 1wg1 h GLN 109 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 1wg1 h GLN 109 CO 0.11 0.03 0.04 0.93 0.09 0.00 0.00 178.83 180.03 1wg1 h GLU 110 N 0.04 0.25 -0.30 0.06 4.39 -1.92 -3.14 114.58 113.96 1wg1 h GLU 110 Ca 0.79 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 60.41 1wg1 h GLU 110 Cb 2.01 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.61 1wg1 h GLU 110 CO -0.77 0.39 0.09 0.28 -1.16 0.00 0.00 179.01 177.84 1wg1 h VAL 111 N 0.06 1.20 -0.20 3.13 2.07 0.50 -2.87 116.25 120.15 1wg1 h VAL 111 Ca 0.05 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1wg1 h VAL 111 Cb 0.25 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1wg1 h VAL 111 CO -0.00 0.22 -0.13 0.45 0.02 0.00 0.00 177.57 178.13 1wg1 h HIS 112 N 0.32 -0.41 -0.64 1.57 3.86 -0.58 0.29 115.15 119.55 1wg1 h HIS 112 Ca 0.09 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.45 1wg1 h HIS 112 Cb 0.25 0.21 -0.09 0.00 1.06 0.00 0.00 27.41 28.84 1wg1 h HIS 112 CO 0.01 -0.08 0.16 -0.44 0.86 0.00 0.00 177.93 178.44 1wg1 h ASP 113 N -0.01 0.06 -0.49 2.45 5.19 -1.60 0.20 116.42 122.21 1wg1 h ASP 113 Ca 0.03 0.11 0.09 0.00 -0.62 0.00 0.00 57.03 56.65 1wg1 h ASP 113 Cb 0.09 0.14 -0.08 0.00 0.18 0.00 0.00 39.33 39.67 1wg1 h ASP 113 CO -0.20 0.02 -0.01 0.25 -3.12 0.00 0.00 179.24 176.18 1wg1 h LEU 114 N 0.30 -0.24 -3.88 1.55 5.85 -0.68 -0.12 115.31 118.08 1wg1 h LEU 114 Ca 0.34 0.12 -0.44 0.00 0.84 0.00 0.00 57.88 58.75 1wg1 h LEU 114 Cb 0.52 0.22 -0.26 0.00 0.37 0.00 0.00 40.66 41.51 1wg1 h LEU 114 CO -0.41 -0.08 0.55 0.18 -0.34 0.00 0.00 178.44 178.34 1wg1 n LEU 115 N -5.24 6.51 -0.24 2.25 4.77 0.78 -4.61 117.00 121.22 1wg1 n LEU 115 Ca 0.05 -3.46 0.04 0.00 -0.03 0.00 0.00 56.01 52.61 1wg1 n LEU 115 Cb 0.26 -0.81 0.16 0.00 -2.33 0.00 0.00 43.42 40.70 1wg1 n LEU 115 CO 0.15 0.98 0.97 0.07 -1.33 0.00 0.00 177.39 178.23 1wg1 h LYS 116 N 1.37 0.34 -0.90 3.23 2.10 0.13 -0.67 116.57 122.18 1wg1 h LYS 116 Ca 0.54 -0.02 0.25 0.00 -2.00 0.00 0.00 60.65 59.42 1wg1 h LYS 116 Cb 2.71 -0.08 -0.15 0.00 -0.90 0.00 0.00 32.23 33.81 1wg1 h LYS 116 CO 1.00 0.23 0.24 -0.44 -2.00 0.00 0.00 179.45 178.47 1wg1 h ASP 117 N 0.35 -0.02 -2.54 7.07 3.32 -1.81 -3.40 116.42 119.39 1wg1 h ASP 117 Ca 0.38 0.21 -0.45 0.00 0.02 0.00 0.00 57.03 57.19 1wg1 h ASP 117 Cb 0.59 0.28 0.03 0.00 0.22 0.00 0.00 39.33 40.45 1wg1 h ASP 117 CO -0.42 -0.19 -0.14 -0.31 -1.72 0.00 0.00 179.24 176.47 1wg1 s TYR 118 N -5.92 3.17 -0.16 4.55 1.51 -0.26 -5.08 117.35 115.16 1wg1 s TYR 118 Ca -0.12 0.12 -0.15 0.00 -1.01 0.00 0.00 57.07 55.91 1wg1 s TYR 118 Cb 0.27 -2.29 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1wg1 s TYR 118 CO 0.77 -0.34 0.37 -0.51 -1.11 0.00 0.00 175.55 174.73 1wg1 s ASP 119 N -4.23 6.49 -0.25 2.29 1.11 -1.26 -4.94 116.67 115.88 1wg1 s ASP 119 Ca 0.48 0.58 -0.10 0.00 0.18 0.00 0.00 52.55 53.69 1wg1 s ASP 119 Cb -0.10 -2.22 -0.05 0.00 1.07 0.00 0.00 42.92 41.62 1wg1 s ASP 119 CO 0.37 0.02 0.15 -0.76 1.18 0.00 0.00 175.17 176.12 1wg1 s LEU 120 N 0.77 3.93 -0.19 1.23 1.02 -1.26 -3.13 118.68 121.05 1wg1 s LEU 120 Ca 0.19 0.01 -0.04 0.00 0.02 0.00 0.00 54.13 54.31 1wg1 s LEU 120 Cb -0.14 -2.06 -0.21 0.00 0.02 0.00 0.00 46.19 43.79 1wg1 s LEU 120 CO 0.07 0.01 0.08 0.29 0.02 0.00 0.00 176.35 176.82 1wg1 n LYS 121 N 4.62 0.70 -3.76 1.70 5.02 -0.39 -4.98 118.16 121.07 1wg1 n LYS 121 Ca -0.15 0.22 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1wg1 n LYS 121 Cb 0.52 -1.62 -0.11 0.00 -0.02 0.00 0.00 35.03 33.80 1wg1 n LYS 121 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1wg1 s TYR 122 N -2.53 -0.34 -0.04 2.13 5.04 -1.26 -5.00 117.35 115.34 1wg1 s TYR 122 Ca -0.29 0.83 -0.00 0.00 -2.44 0.00 0.00 57.07 55.17 1wg1 s TYR 122 Cb 0.08 0.11 0.03 0.00 0.35 0.00 0.00 41.96 42.53 1wg1 s TYR 122 CO 0.68 -0.18 0.01 0.00 -1.34 0.00 0.00 175.55 174.72 1wg1 s TYR 124 N 1.44 2.39 -0.06 0.00 5.04 -0.81 -4.96 117.35 120.38 1wg1 s TYR 124 Ca -0.04 -2.22 -0.27 0.00 -2.44 0.00 0.00 57.07 52.11 1wg1 s TYR 124 Cb -0.13 -2.13 -0.03 0.00 0.35 0.00 0.00 41.96 40.03 1wg1 s TYR 124 CO -0.03 -0.89 0.86 0.08 -1.34 0.00 0.00 175.55 174.24 1wg1 s VAL 125 N 1.25 4.92 -0.25 3.14 1.01 -1.26 -1.85 120.40 127.36 1wg1 s VAL 125 Ca 0.11 1.78 0.03 0.00 0.00 0.00 0.00 61.98 63.89 1wg1 s VAL 125 Cb -0.19 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.06 1wg1 s VAL 125 CO -0.17 0.15 -0.12 -0.62 0.00 0.00 0.00 175.10 174.34 1wg1 s ASP 126 N 0.98 4.34 0.03 3.32 -1.08 0.25 -4.97 116.67 119.54 1wg1 s ASP 126 Ca 0.44 -1.33 -0.19 0.00 -0.52 0.00 0.00 52.55 50.95 1wg1 s ASP 126 Cb -0.19 -1.55 -0.19 0.00 -1.46 0.00 0.00 42.92 39.54 1wg1 s ASP 126 CO 0.21 -0.17 1.20 0.03 0.52 0.00 0.00 175.17 176.95 1wg1 h ARG 127 N 7.79 0.45 -0.93 4.34 2.47 -1.94 0.74 114.38 127.30 1wg1 h ARG 127 Ca -0.21 -0.38 0.21 0.00 -1.26 0.00 0.00 59.98 58.34 1wg1 h ARG 127 Cb 1.05 0.08 -0.12 0.00 -1.65 0.00 0.00 29.97 29.33 1wg1 h ARG 127 CO 0.48 1.02 0.48 -0.91 0.56 0.00 0.00 179.97 181.60 1wg1 h ASN 128 N 0.01 0.52 -0.22 7.04 2.35 -1.96 -0.15 115.58 123.16 1wg1 h ASN 128 Ca -0.03 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1wg1 h ASN 128 Cb 1.11 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1wg1 h ASN 128 CO 0.09 0.11 0.00 0.29 -1.65 0.00 0.00 177.43 176.27 1wg1 n LYS 129 N -4.93 2.71 -3.98 0.81 4.76 -1.22 -4.99 118.16 111.32 1wg1 n LYS 129 Ca 0.22 -2.31 -0.30 0.00 -2.87 0.00 0.00 58.31 53.05 1wg1 n LYS 129 Cb 0.62 -1.46 -0.04 0.00 -1.84 0.00 0.00 35.03 32.31 1wg1 n LYS 129 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wg1 n ARG 130 N -0.24 -0.71 -3.99 1.97 1.74 0.22 -4.82 116.66 110.82 1wg1 n ARG 130 Ca 0.14 0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 57.08 1wg1 n ARG 130 Cb 0.59 -2.40 -0.15 0.00 -1.02 0.00 0.00 32.46 29.48 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 -3.99 0.20 -0.15 0.55 2.01 0.99 -2.95 115.64 112.29 1wg1 s THR 131 Ca 0.16 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1wg1 s THR 131 Cb -0.09 -0.21 0.03 0.00 0.01 0.00 0.00 72.50 72.24 1wg1 s THR 131 CO 0.79 0.08 -0.12 0.00 -0.69 0.00 0.00 174.62 174.68 1wg1 s ALA 132 N 0.24 1.80 -0.34 7.40 0.00 -0.37 0.87 121.76 131.36 1wg1 s ALA 132 Ca -0.02 -0.91 -0.22 0.00 0.00 0.00 0.00 51.96 50.81 1wg1 s ALA 132 Cb -0.05 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.99 1wg1 s ALA 132 CO -0.01 -0.49 0.71 -0.06 0.00 0.00 0.00 175.76 175.92 1wg1 s PHE 133 N 1.50 3.17 -0.08 0.00 0.08 -0.77 -1.19 117.98 120.69 1wg1 s PHE 133 Ca 0.04 0.57 0.01 0.00 0.12 0.00 0.00 56.93 57.67 1wg1 s PHE 133 Cb -0.14 -3.20 -0.03 0.00 -0.57 0.00 0.00 43.02 39.09 1wg1 s PHE 133 CO -0.10 -0.61 -0.10 0.08 -0.10 0.00 0.00 175.22 174.40 1wg1 s VAL 134 N 2.86 3.45 -0.39 -0.44 1.01 -0.90 -1.93 120.40 124.05 1wg1 s VAL 134 Ca 0.29 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1wg1 s VAL 134 Cb -0.14 -2.41 0.10 0.00 0.00 0.00 0.00 36.38 33.93 1wg1 s VAL 134 CO 0.14 0.57 0.18 -0.89 0.00 0.00 0.00 175.10 175.10 1wg1 s THR 135 N -0.49 3.30 1.09 3.92 2.01 -0.66 -0.89 115.64 123.92 1wg1 s THR 135 Ca 0.07 -1.92 -0.18 0.00 0.31 0.00 0.00 61.69 59.96 1wg1 s THR 135 Cb -0.12 -3.20 0.27 0.00 0.01 0.00 0.00 72.50 69.46 1wg1 s THR 135 CO 0.02 -0.60 1.09 0.18 -0.69 0.00 0.00 174.62 174.62 1wg1 n LEU 136 N 4.62 0.00 -0.05 4.42 4.77 -1.26 -1.27 117.00 128.23 1wg1 n LEU 136 Ca -0.04 -1.17 -0.01 0.00 -0.03 0.00 0.00 56.01 54.76 1wg1 n LEU 136 Cb 0.42 -0.95 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 1wg1 n LEU 136 CO 0.32 -1.90 0.00 0.25 -1.33 0.00 0.00 177.39 174.73 1wg1 h LEU 137 N 0.00 0.00 -9.09 2.23 5.85 -1.95 -3.42 115.31 108.92 1wg1 h LEU 137 Ca -0.39 -0.05 -0.66 0.00 0.84 0.00 0.00 57.88 57.61 1wg1 h LEU 137 Cb 1.16 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 42.01 1wg1 h LEU 137 CO 0.26 0.54 -0.80 0.20 -0.34 0.00 0.00 178.44 178.30 1wg1 s ASN 138 N -5.59 3.74 0.06 1.25 0.01 -1.26 -4.96 114.94 108.18 1wg1 s ASN 138 Ca -0.02 -0.68 -0.25 0.00 -0.71 0.00 0.00 52.86 51.20 1wg1 s ASN 138 Cb -0.00 -0.44 -0.17 0.00 0.41 0.00 0.00 41.25 41.05 1wg1 s ASN 138 CO 0.05 0.15 1.60 1.23 -1.51 0.00 0.00 177.10 178.61 1wg1 h GLY 139 N 3.43 -0.21 -0.76 0.66 0.00 -1.83 -2.90 103.07 101.46 1wg1 h GLY 139 Ca -0.48 0.08 0.31 0.00 0.00 0.00 0.00 47.33 47.23 1wg1 h GLY 139 CO 0.47 -0.08 0.32 -2.09 0.00 0.00 0.00 176.54 175.16 1wg1 h GLU 140 N -0.31 0.11 -0.81 4.80 4.81 -1.77 0.83 114.58 122.24 1wg1 h GLU 140 Ca -0.02 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1wg1 h GLU 140 Cb 0.24 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1wg1 h GLU 140 CO 0.03 0.07 0.52 1.96 -0.73 0.00 0.00 179.01 180.86 1wg1 h GLN 141 N 0.11 0.97 0.53 1.92 4.20 -1.90 -3.00 115.11 117.94 1wg1 h GLN 141 Ca 0.68 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 59.31 1wg1 h GLN 141 Cb 1.56 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 29.13 1wg1 h GLN 141 CO -0.76 0.64 -0.25 0.00 -0.67 0.00 0.00 178.83 177.79 1wg1 h ALA 142 N 1.34 -0.71 -0.93 3.87 0.00 0.66 -0.22 119.26 123.27 1wg1 h ALA 142 Ca 0.32 -0.19 0.35 0.00 0.00 0.00 0.00 54.91 55.40 1wg1 h ALA 142 Cb 0.01 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 17.95 1wg1 h ALA 142 CO -0.11 -0.80 0.55 1.04 0.00 0.00 0.00 179.25 179.93 1wg1 n GLN 143 N -5.32 -0.04 -0.03 0.00 3.00 -0.72 -0.23 117.38 114.04 1wg1 n GLN 143 Ca -0.11 1.04 -0.02 0.00 -0.01 0.00 0.00 57.00 57.90 1wg1 n GLN 143 Cb 0.32 -1.96 -0.01 0.00 0.00 0.00 0.00 30.24 28.60 1wg1 n GLN 143 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1wg1 h ASN 144 N 0.00 0.00 -0.83 1.08 2.35 -1.48 -3.37 115.58 113.33 1wg1 h ASN 144 Ca 0.68 0.00 0.26 0.00 -0.55 0.00 0.00 56.30 56.69 1wg1 h ASN 144 Cb 2.00 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 40.21 1wg1 h ASN 144 CO -0.50 0.33 0.13 0.00 -1.65 0.00 0.00 177.43 175.75 1wg1 n ALA 145 N -2.77 0.54 -0.14 -0.83 0.00 -0.11 0.44 120.51 117.63 1wg1 n ALA 145 Ca -0.02 0.88 -0.07 0.00 0.00 0.00 0.00 53.44 54.22 1wg1 n ALA 145 Cb 0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 1wg1 n ALA 145 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1wg1 h ILE 146 N 0.00 0.19 0.32 0.00 2.04 -0.79 0.15 117.51 119.41 1wg1 h ILE 146 Ca 0.56 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.40 1wg1 h ILE 146 Cb 1.26 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1wg1 h ILE 146 CO -0.74 0.00 -0.15 -0.61 0.00 0.00 0.00 178.15 176.65 1wg1 h GLN 147 N -0.24 -0.41 -1.35 2.37 4.15 -0.18 0.71 115.11 120.16 1wg1 h GLN 147 Ca 0.18 0.03 0.45 0.00 0.77 0.00 0.00 58.65 60.08 1wg1 h GLN 147 Cb 0.55 0.09 -0.12 0.00 0.21 0.00 0.00 27.48 28.21 1wg1 h GLN 147 CO -0.59 -0.27 0.89 -1.33 -1.93 0.00 0.00 178.83 175.60 1wg1 n MET 148 N -4.27 -0.03 -0.03 1.69 2.81 -0.52 0.84 117.12 117.61 1wg1 n MET 148 Ca -0.05 1.13 -0.20 0.00 -1.81 0.00 0.00 57.70 56.77 1wg1 n MET 148 Cb 0.17 -2.27 -0.14 0.00 -0.71 0.00 0.00 33.22 30.27 1wg1 n MET 148 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1wg1 n PHE 149 N -4.43 0.95 -1.37 2.03 3.01 0.52 -4.90 117.46 113.27 1wg1 n PHE 149 Ca 0.38 0.21 -0.53 0.00 1.01 0.00 0.00 57.45 58.51 1wg1 n PHE 149 Cb 1.50 -1.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.78 1wg1 n PHE 149 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1wg1 n HIS 150 N -3.40 0.45 -3.33 1.38 -0.00 0.25 -0.67 115.22 109.90 1wg1 n HIS 150 Ca -0.35 0.97 -0.18 0.00 0.46 0.00 0.00 57.72 58.62 1wg1 n HIS 150 Cb 1.04 -1.91 0.07 0.00 -0.12 0.00 0.00 29.99 29.06 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 1.32 -6.22 -3.10 1.57 6.02 0.05 -4.94 117.38 112.08 1wg1 n GLN 151 Ca 0.18 0.68 -0.29 0.00 -0.01 0.00 0.00 57.00 57.57 1wg1 n GLN 151 Cb 0.09 -5.27 -0.03 0.00 1.02 0.00 0.00 30.24 26.06 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 -3.27 3.48 -0.45 1.08 5.04 0.16 -4.86 117.35 118.53 1wg1 s TYR 152 Ca 0.34 0.79 -0.26 0.00 -2.44 0.00 0.00 57.07 55.50 1wg1 s TYR 152 Cb -0.15 -2.23 0.03 0.00 0.35 0.00 0.00 41.96 39.95 1wg1 s TYR 152 CO 0.60 0.03 0.93 0.45 -1.34 0.00 0.00 175.55 176.22 1wg1 s SER 153 N -3.29 6.52 -0.24 4.32 0.15 -1.26 -3.21 113.70 116.69 1wg1 s SER 153 Ca 0.47 0.17 -0.02 0.00 0.70 0.00 0.00 55.95 57.26 1wg1 s SER 153 Cb -0.10 -2.46 0.13 0.00 -1.71 0.00 0.00 66.02 61.88 1wg1 s SER 153 CO 0.32 -1.04 0.34 0.12 1.20 0.00 0.00 173.24 174.18 1wg1 s PHE 154 N 3.76 -0.69 -1.21 3.44 5.36 -1.16 -4.89 117.98 122.58 1wg1 s PHE 154 Ca 0.38 0.56 -0.05 0.00 -0.96 0.00 0.00 56.93 56.86 1wg1 s PHE 154 Cb -0.10 -0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.46 1wg1 s PHE 154 CO 0.26 -0.74 0.62 0.54 -1.46 0.00 0.00 175.22 174.44 1wg1 n ARG 155 N 5.35 -4.64 -1.41 10.12 5.12 -1.26 -1.82 116.66 128.12 1wg1 n ARG 155 Ca -0.03 0.72 -0.14 0.00 -1.93 0.00 0.00 57.85 56.46 1wg1 n ARG 155 Cb 0.50 -5.23 -0.06 0.00 -1.16 0.00 0.00 32.46 26.51 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 -1.47 1.43 3.75 -0.13 0.00 -1.26 -4.98 105.19 102.53 1wg1 n GLY 156 Ca -0.06 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.13 2.17 -0.66 1.61 -0.14 -0.76 -5.10 119.74 113.73 1wg1 s LYS 157 Ca 0.00 -2.04 0.03 0.00 -1.36 0.00 0.00 55.97 52.60 1wg1 s LYS 157 Cb 0.00 -1.84 0.16 0.00 -1.68 0.00 0.00 37.83 34.48 1wg1 s LYS 157 CO 0.00 -0.23 0.45 -0.51 -0.76 0.00 0.00 175.35 174.29 1wg1 s ASP 158 N -3.92 4.82 0.12 2.83 1.11 -1.26 -3.01 116.67 117.36 1wg1 s ASP 158 Ca 0.31 -3.51 -0.35 0.00 0.18 0.00 0.00 52.55 49.18 1wg1 s ASP 158 Cb 0.04 -1.68 -0.16 0.00 1.07 0.00 0.00 42.92 42.18 1wg1 s ASP 158 CO 0.17 -0.16 1.27 0.18 1.18 0.00 0.00 175.17 177.81 1wg1 n LEU 159 N 2.47 1.62 -4.22 1.23 4.77 -1.20 -4.65 117.00 117.02 1wg1 n LEU 159 Ca 0.14 1.13 -0.40 0.00 -0.03 0.00 0.00 56.01 56.85 1wg1 n LEU 159 Cb 0.34 -1.20 -0.09 0.00 -2.33 0.00 0.00 43.42 40.14 1wg1 n LEU 159 CO 0.31 -1.14 -0.05 -0.63 -1.33 0.00 0.00 177.39 174.55 1wg1 s ILE 160 N 0.21 4.15 -0.23 -0.08 1.01 0.47 -0.77 121.20 125.97 1wg1 s ILE 160 Ca 0.80 -1.71 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 1wg1 s ILE 160 Cb -0.91 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 1wg1 s ILE 160 CO 0.49 -0.70 0.32 -0.69 0.00 0.00 0.00 174.94 174.36 1wg1 s VAL 161 N 1.36 5.24 0.23 2.92 1.01 -1.26 -1.24 120.40 128.67 1wg1 s VAL 161 Ca 0.05 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1wg1 s VAL 161 Cb -0.25 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1wg1 s VAL 161 CO -0.00 0.26 0.15 0.00 0.00 0.00 0.00 175.10 175.50 1wg1 s GLN 162 N 1.40 1.34 0.84 2.72 -2.07 -0.88 -4.72 119.66 118.29 1wg1 s GLN 162 Ca 0.15 -1.72 -0.12 0.00 -1.82 0.00 0.00 55.36 51.85 1wg1 s GLN 162 Cb -0.15 0.18 0.09 0.00 -1.09 0.00 0.00 33.01 32.05 1wg1 s GLN 162 CO 0.07 -0.42 1.11 -0.51 -1.32 0.00 0.00 175.29 174.23 1wg1 s LEU 163 N -3.23 2.39 0.27 2.60 1.43 -1.26 -0.29 118.68 120.59 1wg1 s LEU 163 Ca 0.39 1.18 -0.23 0.00 -1.03 0.00 0.00 54.13 54.44 1wg1 s LEU 163 Cb 0.06 -3.69 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 1wg1 s LEU 163 CO 0.15 -2.18 0.82 -1.10 0.23 0.00 0.00 176.35 174.27 1wg1 s GLN 164 N -5.20 4.40 0.00 1.70 -0.21 -1.26 -4.48 119.66 114.61 1wg1 s GLN 164 Ca 0.62 1.08 0.15 0.00 0.02 0.00 0.00 55.36 57.23 1wg1 s GLN 164 Cb -0.14 -2.85 0.82 0.00 1.00 0.00 0.00 33.01 31.84 1wg1 s GLN 164 CO 0.54 0.34 1.38 -0.35 -2.12 0.00 0.00 175.29 175.08 1wg1 n PRO 165 N 0.66 0.32 -0.22 2.91 -0.04 -1.26 -3.72 135.00 133.66 1wg1 n PRO 165 Ca -0.00 0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 1wg1 n PRO 165 Cb 0.51 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.52 1wg1 n PRO 165 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1wg1 h THR 166 N 0.00 0.30 -3.27 0.52 2.02 -1.99 -3.38 112.91 107.10 1wg1 h THR 166 Ca 0.00 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.64 1wg1 h THR 166 Cb 0.08 0.30 -0.35 0.00 -1.74 0.00 0.00 68.15 66.44 1wg1 h THR 166 CO 0.00 0.00 -0.82 -0.62 0.37 0.00 0.00 175.52 174.45 1wg1 s ASP 167 N -5.22 2.16 -0.83 4.18 2.15 -1.24 -5.09 116.67 112.78 1wg1 s ASP 167 Ca -0.14 -0.35 -0.16 0.00 0.43 0.00 0.00 52.55 52.33 1wg1 s ASP 167 Cb 0.19 -0.93 0.18 0.00 -0.30 0.00 0.00 42.92 42.06 1wg1 s ASP 167 CO 0.73 -0.03 0.86 0.00 -0.17 0.00 0.00 175.17 176.56 1wg1 s ALA 168 N 1.17 3.81 0.28 3.66 0.00 -1.26 -4.93 121.76 124.49 1wg1 s ALA 168 Ca -0.04 -3.05 -0.26 0.00 0.00 0.00 0.00 51.96 48.60 1wg1 s ALA 168 Cb -0.14 -3.67 -0.16 0.00 0.00 0.00 0.00 23.12 19.15 1wg1 s ALA 168 CO -0.03 -2.49 0.50 -0.11 0.00 0.00 0.00 175.76 173.63 1wg1 n LEU 169 N 4.96 -1.01 -4.65 0.00 7.94 -1.26 -4.94 117.00 118.04 1wg1 n LEU 169 Ca 0.14 1.04 -0.35 0.00 -1.11 0.00 0.00 56.01 55.74 1wg1 n LEU 169 Cb 0.47 -1.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.32 1wg1 n LEU 169 CO 0.41 -3.01 -0.29 -0.22 -1.11 0.00 0.00 177.39 173.16 1wg1 s LEU 170 N 2.77 3.64 -0.34 -1.96 2.96 -1.26 -5.07 118.68 119.41 1wg1 s LEU 170 Ca 0.62 0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 54.34 1wg1 s LEU 170 Cb -0.79 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.05 1wg1 s LEU 170 CO 0.58 0.28 1.09 0.00 -1.32 0.00 0.00 176.35 176.98 1wg1 s SER 172 N 1.76 2.85 -0.27 0.00 0.15 -1.26 -4.97 113.70 111.95 1wg1 s SER 172 Ca 0.46 -3.01 -0.04 0.00 0.70 0.00 0.00 55.95 54.06 1wg1 s SER 172 Cb -0.12 -0.81 0.01 0.00 -1.71 0.00 0.00 66.02 63.39 1wg1 s SER 172 CO 0.17 -0.19 0.16 0.61 1.20 0.00 0.00 173.24 175.19 1wg1 n GLY 173 N 2.99 -3.07 3.77 9.45 0.00 -1.26 -4.98 105.19 112.09 1wg1 n GLY 173 Ca 0.20 0.53 -0.34 0.00 0.00 0.00 0.00 46.02 46.41 1wg1 n GLY 173 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg1 s PRO 174 N -1.60 3.09 -0.13 1.61 0.04 -1.26 -5.05 135.00 131.70 1wg1 s PRO 174 Ca 0.06 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 1wg1 s PRO 174 Cb -0.02 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1wg1 s PRO 174 CO 0.61 -1.04 -0.05 -1.12 0.04 0.00 0.00 177.00 175.45 1wg1 s SER 175 N -2.15 2.33 0.08 6.66 0.01 -1.26 -5.13 113.70 114.24 1wg1 s SER 175 Ca 0.70 -0.41 0.06 0.00 1.31 0.00 0.00 55.95 57.61 1wg1 s SER 175 Cb -0.22 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.21 1wg1 s SER 175 CO 0.34 -0.17 -0.16 -0.55 0.41 0.00 0.00 173.24 173.11 1wg1 s SER 176 N 1.75 1.92 0.00 2.44 0.15 -1.26 -5.29 113.70 113.41 1wg1 s SER 176 Ca 0.03 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1wg1 s SER 176 Cb -0.14 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1wg1 s SER 176 CO -0.07 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.93