#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg1 s SER 91 N 0.00 -0.26 -0.47 1.61 0.15 -1.26 -5.13 113.70 108.34 1wg1 s SER 91 Ca 0.00 -0.48 -0.17 0.00 0.70 0.00 0.00 55.95 55.99 1wg1 s SER 91 Cb 0.00 0.63 0.05 0.00 -1.71 0.00 0.00 66.02 65.00 1wg1 s SER 91 CO 0.00 -1.16 0.50 -0.55 1.20 0.00 0.00 173.24 173.23 1wg1 s SER 92 N -2.90 6.19 0.00 5.45 0.15 -1.26 -5.04 113.70 116.29 1wg1 s SER 92 Ca 0.11 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1wg1 s SER 92 Cb -0.04 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1wg1 s SER 92 CO 0.04 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.36 1wg1 n GLY 93 N 5.17 4.37 3.20 9.45 0.00 -1.26 -4.94 105.19 121.17 1wg1 n GLY 93 Ca -0.09 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.53 5.56 -4.91 1.61 3.41 -1.26 -4.79 113.62 112.71 1wg1 n SER 94 Ca 0.00 -3.16 -0.20 0.00 -0.26 0.00 0.00 58.87 55.25 1wg1 n SER 94 Cb 0.00 -1.29 -0.02 0.00 -0.26 0.00 0.00 64.21 62.64 1wg1 n SER 94 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wg1 s SER 95 N 0.21 5.19 0.00 4.04 0.15 -1.26 -3.98 113.70 118.04 1wg1 s SER 95 Ca 0.31 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1wg1 s SER 95 Cb -0.05 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 1wg1 s SER 95 CO -0.03 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.34 1wg1 n GLY 96 N -1.62 0.84 3.13 9.45 0.00 -1.26 -4.57 105.19 111.16 1wg1 n GLY 96 Ca 0.05 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.90 0.70 -0.17 -0.61 -4.36 0.48 -2.33 121.20 114.00 1wg1 s ILE 97 Ca 0.00 -1.52 -0.05 0.00 -0.26 0.00 0.00 60.65 58.82 1wg1 s ILE 97 Cb 0.00 -1.18 -0.03 0.00 1.25 0.00 0.00 42.46 42.50 1wg1 s ILE 97 CO 0.00 -0.60 -0.00 -0.76 0.24 0.00 0.00 174.94 173.82 1wg1 s LEU 98 N -2.31 3.40 -0.63 0.37 1.43 0.17 -2.09 118.68 119.02 1wg1 s LEU 98 Ca 0.02 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 1wg1 s LEU 98 Cb -0.03 -1.84 0.16 0.00 0.03 0.00 0.00 46.19 44.51 1wg1 s LEU 98 CO -0.02 0.15 0.59 -0.69 0.23 0.00 0.00 176.35 176.62 1wg1 s VAL 99 N 0.50 5.33 0.26 -1.59 1.01 -0.55 -1.99 120.40 123.38 1wg1 s VAL 99 Ca -0.01 -1.79 0.07 0.00 0.00 0.00 0.00 61.98 60.24 1wg1 s VAL 99 Cb -0.14 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 1wg1 s VAL 99 CO 0.02 -0.93 0.23 -0.54 0.00 0.00 0.00 175.10 173.88 1wg1 s LYS 100 N 1.18 2.97 -0.45 2.72 1.02 -0.26 -1.64 119.74 125.28 1wg1 s LYS 100 Ca 0.08 -1.05 -0.00 0.00 0.02 0.00 0.00 55.97 55.02 1wg1 s LYS 100 Cb -0.23 -2.60 -0.00 0.00 -0.52 0.00 0.00 37.83 34.47 1wg1 s LYS 100 CO -0.01 0.36 0.38 -1.71 -0.92 0.00 0.00 175.35 173.46 1wg1 n ASN 101 N -1.24 -2.23 -4.90 2.83 5.15 -1.25 -0.65 115.26 112.98 1wg1 n ASN 101 Ca -0.07 -0.24 -0.28 0.00 -0.60 0.00 0.00 54.58 53.38 1wg1 n ASN 101 Cb 0.58 -2.28 -0.03 0.00 -0.53 0.00 0.00 39.78 37.53 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 -3.70 3.94 0.00 1.20 1.43 -1.22 -4.34 118.68 116.00 1wg1 s LEU 102 Ca 0.02 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1wg1 s LEU 102 Cb -0.00 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1wg1 s LEU 102 CO 0.28 -0.30 0.00 -0.81 0.23 0.00 0.00 176.35 175.75 1wg1 n PRO 103 N -1.27 0.32 0.04 1.29 -0.04 -1.26 -4.96 135.00 129.12 1wg1 n PRO 103 Ca -0.01 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.29 1wg1 n PRO 103 Cb 0.54 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.86 1wg1 n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1wg1 h GLN 104 N 0.00 0.20 -0.80 0.54 4.20 -1.99 -3.35 115.11 113.92 1wg1 h GLN 104 Ca 0.00 -0.35 -0.51 0.00 0.06 0.00 0.00 58.65 57.85 1wg1 h GLN 104 Cb 0.00 0.13 -0.28 0.00 0.30 0.00 0.00 27.48 27.63 1wg1 h GLN 104 CO 0.00 1.02 0.25 -0.25 -0.67 0.00 0.00 178.83 179.18 1wg1 n ASP 105 N -3.38 5.24 -4.76 1.46 8.00 -1.26 -5.02 116.55 116.83 1wg1 n ASP 105 Ca -0.19 -3.75 -0.41 0.00 0.71 0.00 0.00 54.79 51.15 1wg1 n ASP 105 Cb 1.04 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 1wg1 n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1wg1 s SER 106 N -2.29 6.89 0.24 -2.24 0.15 -1.26 -5.02 113.70 110.16 1wg1 s SER 106 Ca 0.56 2.56 -0.16 0.00 0.70 0.00 0.00 55.95 59.61 1wg1 s SER 106 Cb 0.46 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 62.14 1wg1 s SER 106 CO 0.02 -0.46 0.54 0.20 1.20 0.00 0.00 173.24 174.74 1wg1 s ASN 107 N -0.41 -0.17 0.01 5.45 0.01 -1.26 -4.98 114.94 113.59 1wg1 s ASN 107 Ca 0.50 -0.73 -0.25 0.00 -0.71 0.00 0.00 52.86 51.66 1wg1 s ASN 107 Cb -0.38 0.61 -0.16 0.00 0.41 0.00 0.00 41.25 41.74 1wg1 s ASN 107 CO 0.48 -1.16 1.20 0.00 -1.51 0.00 0.00 177.10 176.11 1wg1 n GLN 109 N -5.16 -0.03 -0.06 0.00 1.13 -1.26 0.28 117.38 112.29 1wg1 n GLN 109 Ca -0.10 0.91 -0.05 0.00 -1.94 0.00 0.00 57.00 55.83 1wg1 n GLN 109 Cb 0.27 -1.78 -0.04 0.00 0.11 0.00 0.00 30.24 28.81 1wg1 n GLN 109 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1wg1 h GLU 110 N 0.00 0.00 -0.67 -1.09 4.57 -1.96 -3.33 114.58 112.11 1wg1 h GLU 110 Ca 0.63 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.95 1wg1 h GLU 110 Cb 2.00 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 30.47 1wg1 h GLU 110 CO -0.36 0.28 -0.04 0.28 -1.18 0.00 0.00 179.01 177.99 1wg1 h VAL 111 N -1.00 0.41 -0.40 0.32 2.07 0.21 -2.10 116.25 115.77 1wg1 h VAL 111 Ca -0.01 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1wg1 h VAL 111 Cb 0.35 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 1wg1 h VAL 111 CO -0.01 0.01 -0.39 -0.74 0.02 0.00 0.00 177.57 176.46 1wg1 h HIS 112 N 0.08 -1.22 -0.80 1.57 -0.00 -0.78 0.16 115.15 114.17 1wg1 h HIS 112 Ca 0.35 0.07 0.17 0.00 -0.00 0.00 0.00 60.37 60.95 1wg1 h HIS 112 Cb 0.57 0.59 -0.11 0.00 -0.00 0.00 0.00 27.41 28.46 1wg1 h HIS 112 CO -0.42 -0.32 0.30 0.38 -0.00 0.00 0.00 177.93 177.88 1wg1 h ASP 113 N -0.20 0.25 -0.36 3.26 3.04 -1.51 -0.27 116.42 120.63 1wg1 h ASP 113 Ca 0.07 0.13 0.03 0.00 -3.24 0.00 0.00 57.03 54.02 1wg1 h ASP 113 Cb 0.38 0.12 -0.04 0.00 -1.04 0.00 0.00 39.33 38.75 1wg1 h ASP 113 CO -0.48 0.05 0.15 0.25 -2.04 0.00 0.00 179.24 177.17 1wg1 h LEU 114 N 0.41 0.19 -3.99 0.15 5.85 -0.41 -2.30 115.31 115.21 1wg1 h LEU 114 Ca 0.46 0.03 -0.64 0.00 0.84 0.00 0.00 57.88 58.57 1wg1 h LEU 114 Cb 0.76 -0.00 -0.27 0.00 0.37 0.00 0.00 40.66 41.52 1wg1 h LEU 114 CO -0.46 0.15 0.82 0.18 -0.34 0.00 0.00 178.44 178.79 1wg1 n LEU 115 N -4.98 7.53 -0.07 2.25 4.77 0.34 -4.59 117.00 122.25 1wg1 n LEU 115 Ca 0.01 -4.19 -0.12 0.00 -0.03 0.00 0.00 56.01 51.69 1wg1 n LEU 115 Cb 0.11 -1.00 -0.05 0.00 -2.33 0.00 0.00 43.42 40.15 1wg1 n LEU 115 CO 0.29 1.46 0.75 0.07 -1.33 0.00 0.00 177.39 178.62 1wg1 h LYS 116 N 1.99 0.39 -0.86 3.23 2.10 -0.59 -3.09 116.57 119.74 1wg1 h LYS 116 Ca 0.56 -0.13 0.22 0.00 -2.00 0.00 0.00 60.65 59.31 1wg1 h LYS 116 Cb 0.78 -0.03 -0.15 0.00 -0.90 0.00 0.00 32.23 31.93 1wg1 h LYS 116 CO 1.47 0.59 0.11 -0.44 -2.00 0.00 0.00 179.45 179.19 1wg1 h ASP 117 N 0.14 -0.22 -3.60 7.07 3.32 -1.84 -3.40 116.42 117.88 1wg1 h ASP 117 Ca 0.06 0.22 -0.48 0.00 0.02 0.00 0.00 57.03 56.85 1wg1 h ASP 117 Cb 0.42 0.34 0.05 0.00 0.22 0.00 0.00 39.33 40.37 1wg1 h ASP 117 CO 0.01 -0.21 0.15 -0.31 -1.72 0.00 0.00 179.24 177.16 1wg1 s TYR 118 N -6.01 3.33 -0.15 4.55 2.02 -1.17 -5.05 117.35 114.86 1wg1 s TYR 118 Ca -0.13 0.68 -0.20 0.00 -0.37 0.00 0.00 57.07 57.05 1wg1 s TYR 118 Cb 0.25 -2.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.16 1wg1 s TYR 118 CO 0.77 -0.68 0.59 0.34 -1.57 0.00 0.00 175.55 175.00 1wg1 s ASP 119 N -4.25 6.72 -0.22 2.29 2.15 -1.26 -4.97 116.67 117.13 1wg1 s ASP 119 Ca 0.52 0.87 -0.10 0.00 0.43 0.00 0.00 52.55 54.27 1wg1 s ASP 119 Cb -0.10 -2.34 -0.05 0.00 -0.30 0.00 0.00 42.92 40.13 1wg1 s ASP 119 CO 0.45 -0.16 0.14 -0.76 -0.17 0.00 0.00 175.17 174.67 1wg1 s LEU 120 N 1.34 4.15 -0.25 -1.34 1.02 -1.26 -3.59 118.68 118.76 1wg1 s LEU 120 Ca 0.29 0.17 -0.09 0.00 0.02 0.00 0.00 54.13 54.52 1wg1 s LEU 120 Cb -0.16 -2.09 -0.12 0.00 0.02 0.00 0.00 46.19 43.84 1wg1 s LEU 120 CO 0.12 0.13 -0.30 0.29 0.02 0.00 0.00 176.35 176.61 1wg1 n LYS 121 N 3.85 0.54 -3.77 1.70 5.02 -0.74 -5.03 118.16 119.72 1wg1 n LYS 121 Ca -0.16 0.21 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 1wg1 n LYS 121 Cb 0.52 -1.40 -0.11 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.46 -0.32 -0.04 2.13 5.04 -1.26 -5.01 117.35 115.44 1wg1 s TYR 122 Ca -0.34 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1wg1 s TYR 122 Cb 0.12 0.11 0.02 0.00 0.35 0.00 0.00 41.96 42.57 1wg1 s TYR 122 CO 0.46 -0.16 -0.02 0.00 -1.34 0.00 0.00 175.55 174.49 1wg1 s TYR 124 N 1.10 1.77 -0.07 0.00 6.14 -0.79 -4.96 117.35 120.55 1wg1 s TYR 124 Ca -0.08 -1.54 -0.26 0.00 0.64 0.00 0.00 57.07 55.82 1wg1 s TYR 124 Cb -0.14 -1.54 -0.03 0.00 0.42 0.00 0.00 41.96 40.68 1wg1 s TYR 124 CO -0.01 -0.78 0.83 0.08 0.64 0.00 0.00 175.55 176.31 1wg1 s VAL 125 N 1.60 4.94 -0.39 3.14 1.01 -1.26 -1.47 120.40 127.97 1wg1 s VAL 125 Ca 0.03 1.70 0.04 0.00 0.00 0.00 0.00 61.98 63.75 1wg1 s VAL 125 Cb -0.18 -4.16 0.11 0.00 0.00 0.00 0.00 36.38 32.15 1wg1 s VAL 125 CO -0.15 0.15 0.11 -0.62 0.00 0.00 0.00 175.10 174.60 1wg1 s ASP 126 N 0.97 4.63 0.17 3.32 2.15 0.18 -4.97 116.67 123.12 1wg1 s ASP 126 Ca 0.43 -2.39 -0.12 0.00 0.43 0.00 0.00 52.55 50.89 1wg1 s ASP 126 Cb -0.18 -1.62 0.08 0.00 -0.30 0.00 0.00 42.92 40.89 1wg1 s ASP 126 CO 0.20 -0.34 1.76 0.03 -0.17 0.00 0.00 175.17 176.65 1wg1 h ARG 127 N 7.30 0.85 -0.90 4.34 2.47 -1.94 0.82 114.38 127.33 1wg1 h ARG 127 Ca -0.05 -0.12 0.24 0.00 -1.26 0.00 0.00 59.98 58.79 1wg1 h ARG 127 Cb 0.98 -0.15 -0.14 0.00 -1.65 0.00 0.00 29.97 29.01 1wg1 h ARG 127 CO 0.57 0.69 0.30 -0.97 0.56 0.00 0.00 179.97 181.12 1wg1 h ASN 128 N 0.81 0.11 -0.25 7.04 -1.24 -1.95 0.17 115.58 120.27 1wg1 h ASN 128 Ca 0.20 0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.40 1wg1 h ASN 128 Cb 0.12 0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1wg1 h ASN 128 CO -0.03 -0.13 0.00 0.29 -1.29 0.00 0.00 177.43 176.27 1wg1 n LYS 129 N -5.18 2.79 -4.19 6.67 4.76 -1.04 -4.99 118.16 116.98 1wg1 n LYS 129 Ca 0.23 -2.29 -0.38 0.00 -2.87 0.00 0.00 58.31 52.99 1wg1 n LYS 129 Cb 0.72 -1.45 -0.04 0.00 -1.84 0.00 0.00 35.03 32.42 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 -0.09 -0.59 -3.81 1.97 1.74 0.26 -4.89 116.66 111.26 1wg1 n ARG 130 Ca 0.14 0.06 -0.12 0.00 -0.77 0.00 0.00 57.85 57.16 1wg1 n ARG 130 Cb 0.58 -2.95 -0.12 0.00 -1.02 0.00 0.00 32.46 28.94 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 -3.98 0.00 -0.14 0.55 2.01 0.08 -3.40 115.64 110.77 1wg1 s THR 131 Ca 0.23 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1wg1 s THR 131 Cb -0.13 -0.25 0.02 0.00 0.01 0.00 0.00 72.50 72.14 1wg1 s THR 131 CO 0.97 -0.00 -0.17 0.00 -0.69 0.00 0.00 174.62 174.72 1wg1 s ALA 132 N 0.09 1.97 -0.29 7.40 0.00 -0.65 0.50 121.76 130.79 1wg1 s ALA 132 Ca -0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 50.79 1wg1 s ALA 132 Cb -0.01 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 1wg1 s ALA 132 CO 0.00 -0.17 0.78 -0.06 0.00 0.00 0.00 175.76 176.31 1wg1 s PHE 133 N 1.10 3.23 -0.13 0.00 0.08 -0.54 -1.48 117.98 120.25 1wg1 s PHE 133 Ca -0.02 0.88 0.02 0.00 0.12 0.00 0.00 56.93 57.92 1wg1 s PHE 133 Cb -0.14 -3.14 -0.00 0.00 -0.57 0.00 0.00 43.02 39.17 1wg1 s PHE 133 CO -0.05 -0.50 -0.19 0.08 -0.10 0.00 0.00 175.22 174.46 1wg1 s VAL 134 N 2.88 2.47 -0.29 -0.44 1.01 -0.89 -1.88 120.40 123.26 1wg1 s VAL 134 Ca 0.32 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1wg1 s VAL 134 Cb -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1wg1 s VAL 134 CO 0.11 0.54 0.14 -0.89 0.00 0.00 0.00 175.10 174.99 1wg1 s THR 135 N 0.55 4.64 0.71 3.92 2.01 -0.83 -0.39 115.64 126.24 1wg1 s THR 135 Ca -0.11 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 1wg1 s THR 135 Cb -0.16 -3.29 0.09 0.00 0.01 0.00 0.00 72.50 69.15 1wg1 s THR 135 CO 0.04 0.17 0.99 -0.76 -0.69 0.00 0.00 174.62 174.38 1wg1 s LEU 136 N 1.64 2.96 -0.00 4.42 1.43 -1.26 -1.80 118.68 126.06 1wg1 s LEU 136 Ca 0.06 0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1wg1 s LEU 136 Cb -0.16 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 1wg1 s LEU 136 CO 0.06 -1.73 0.57 0.25 0.23 0.00 0.00 176.35 175.74 1wg1 h LEU 137 N -0.55 -0.10 -9.62 1.79 5.85 -1.97 -3.41 115.31 107.31 1wg1 h LEU 137 Ca -0.41 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 57.74 1wg1 h LEU 137 Cb 1.29 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.24 1wg1 h LEU 137 CO 0.49 -0.03 -0.61 0.54 -0.34 0.00 0.00 178.44 178.49 1wg1 s ASN 138 N -2.83 4.26 0.03 1.25 2.20 -1.26 -4.91 114.94 113.68 1wg1 s ASN 138 Ca -0.02 -0.94 -0.28 0.00 -0.94 0.00 0.00 52.86 50.69 1wg1 s ASN 138 Cb 0.00 -0.58 -0.17 0.00 -2.00 0.00 0.00 41.25 38.51 1wg1 s ASN 138 CO 0.05 -0.22 1.31 1.23 -2.94 0.00 0.00 177.10 176.53 1wg1 h GLY 139 N 1.79 -0.75 -0.74 0.45 0.00 -1.91 -3.17 103.07 98.73 1wg1 h GLY 139 Ca -0.43 0.28 0.15 0.00 0.00 0.00 0.00 47.33 47.33 1wg1 h GLY 139 CO 0.66 -0.27 -0.18 -2.21 0.00 0.00 0.00 176.54 174.53 1wg1 n GLU 140 N -5.32 -0.07 -0.19 4.80 2.13 -1.26 0.18 120.64 120.91 1wg1 n GLU 140 Ca -0.11 1.16 0.00 0.00 0.66 0.00 0.00 57.16 58.87 1wg1 n GLU 140 Cb 0.33 -1.73 0.10 0.00 0.27 0.00 0.00 31.44 30.40 1wg1 n GLU 140 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1wg1 h GLN 141 N 0.00 0.22 0.13 5.31 4.20 -1.94 -2.48 115.11 120.56 1wg1 h GLN 141 Ca 0.36 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 1wg1 h GLN 141 Cb 0.55 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1wg1 h GLN 141 CO -0.77 0.15 -0.06 0.00 -0.67 0.00 0.00 178.83 177.48 1wg1 h ALA 142 N 1.48 -0.18 -0.74 3.87 0.00 0.18 -0.80 119.26 123.07 1wg1 h ALA 142 Ca 0.31 -0.19 0.30 0.00 0.00 0.00 0.00 54.91 55.33 1wg1 h ALA 142 Cb 0.46 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.19 1wg1 h ALA 142 CO -0.41 -0.41 0.36 1.04 0.00 0.00 0.00 179.25 179.83 1wg1 n GLN 143 N -5.00 -0.05 -0.08 0.00 3.00 -0.10 -0.24 117.38 114.91 1wg1 n GLN 143 Ca -0.09 1.03 -0.09 0.00 -0.01 0.00 0.00 57.00 57.84 1wg1 n GLN 143 Cb 0.23 -1.83 -0.04 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 -1.17 1.08 2.35 -1.46 -3.36 115.58 113.01 1wg1 h ASN 144 Ca 0.61 -0.15 0.34 0.00 -0.55 0.00 0.00 56.30 56.55 1wg1 h ASN 144 Cb 1.59 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.91 1wg1 h ASN 144 CO -0.58 0.94 1.20 0.00 -1.65 0.00 0.00 177.43 177.33 1wg1 h ALA 145 N -0.85 3.09 -0.67 -0.83 0.00 0.46 0.13 119.26 120.59 1wg1 h ALA 145 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wg1 h ALA 145 Cb 0.70 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wg1 h ALA 145 CO -0.06 -1.80 0.00 -0.89 0.00 0.00 0.00 179.25 176.50 1wg1 n ILE 146 N -3.43 0.00 -0.18 0.00 5.41 0.67 -1.99 119.36 119.84 1wg1 n ILE 146 Ca 0.26 1.30 -0.10 0.00 1.00 0.00 0.00 62.75 65.21 1wg1 n ILE 146 Cb 1.55 -2.28 0.01 0.00 -0.71 0.00 0.00 39.64 38.21 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 0.92 -0.92 0.38 1.08 -1.45 0.91 115.11 116.03 1wg1 h GLN 147 Ca 0.00 -0.30 0.22 0.00 -1.45 0.00 0.00 58.65 57.12 1wg1 h GLN 147 Cb 0.00 -0.08 -0.12 0.00 -0.05 0.00 0.00 27.48 27.23 1wg1 h GLN 147 CO 0.00 0.95 0.45 0.52 -0.95 0.00 0.00 178.83 179.80 1wg1 h MET 148 N 0.79 0.46 0.00 1.46 2.86 -0.90 -1.39 114.93 118.21 1wg1 h MET 148 Ca 0.15 -0.03 -0.21 0.00 -2.06 0.00 0.00 59.70 57.55 1wg1 h MET 148 Cb 0.54 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 1wg1 h MET 148 CO 0.03 0.30 -2.00 1.19 1.06 0.00 0.00 176.91 177.49 1wg1 n PHE 149 N -4.99 0.29 -1.55 -0.22 3.01 -0.84 -4.94 117.46 108.22 1wg1 n PHE 149 Ca 0.23 0.10 -0.59 0.00 1.01 0.00 0.00 57.45 58.19 1wg1 n PHE 149 Cb 0.66 -0.88 -0.08 0.00 -0.01 0.00 0.00 39.48 39.17 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 -2.65 0.94 -3.30 1.38 -0.00 0.31 -0.84 115.22 111.07 1wg1 n HIS 150 Ca -0.18 1.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.84 1wg1 n HIS 150 Cb 0.90 -2.15 0.08 0.00 -0.12 0.00 0.00 29.99 28.69 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 2.07 -6.08 -3.39 1.57 6.02 -0.39 -4.94 117.38 112.24 1wg1 n GLN 151 Ca 0.21 0.73 -0.28 0.00 -0.01 0.00 0.00 57.00 57.66 1wg1 n GLN 151 Cb 0.08 -5.43 -0.03 0.00 1.02 0.00 0.00 30.24 25.87 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 -3.30 3.48 -0.20 1.08 5.04 -0.02 -4.84 117.35 118.59 1wg1 s TYR 152 Ca 0.14 0.58 -0.29 0.00 -2.44 0.00 0.00 57.07 55.06 1wg1 s TYR 152 Cb -0.06 -2.06 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 1wg1 s TYR 152 CO 0.63 0.20 1.40 0.45 -1.34 0.00 0.00 175.55 176.89 1wg1 s SER 153 N -3.19 6.71 -0.26 4.32 0.15 -1.26 -2.67 113.70 117.50 1wg1 s SER 153 Ca 0.43 1.61 -0.01 0.00 0.70 0.00 0.00 55.95 58.68 1wg1 s SER 153 Cb -0.11 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.81 1wg1 s SER 153 CO 0.30 -0.98 0.40 0.12 1.20 0.00 0.00 173.24 174.28 1wg1 s PHE 154 N 4.17 -0.92 -1.32 3.44 2.19 -0.37 -4.90 117.98 120.26 1wg1 s PHE 154 Ca 0.61 0.73 -0.08 0.00 0.33 0.00 0.00 56.93 58.52 1wg1 s PHE 154 Cb -0.22 -0.00 0.05 0.00 -1.31 0.00 0.00 43.02 41.53 1wg1 s PHE 154 CO 0.22 -0.81 0.48 0.54 1.83 0.00 0.00 175.22 177.48 1wg1 n ARG 155 N 5.36 -3.64 0.00 10.12 5.12 -1.26 0.57 116.66 132.93 1wg1 n ARG 155 Ca -0.02 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 1wg1 n ARG 155 Cb 0.50 -5.31 0.00 0.00 -1.16 0.00 0.00 32.46 26.49 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 -1.22 2.86 3.93 -0.13 0.00 -1.26 -5.00 105.19 104.37 1wg1 n GLY 156 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.09 3.54 -0.77 1.61 -0.14 0.19 -5.05 119.74 119.03 1wg1 s LYS 157 Ca 0.00 -0.23 -0.11 0.00 -1.36 0.00 0.00 55.97 54.27 1wg1 s LYS 157 Cb 0.00 -2.70 0.20 0.00 -1.68 0.00 0.00 37.83 33.66 1wg1 s LYS 157 CO 0.00 0.22 0.68 -0.51 -0.76 0.00 0.00 175.35 174.98 1wg1 s ASP 158 N -3.57 6.36 -0.15 2.83 1.11 -1.26 -1.24 116.67 120.75 1wg1 s ASP 158 Ca 0.41 -2.70 -0.39 0.00 0.18 0.00 0.00 52.55 50.04 1wg1 s ASP 158 Cb -0.10 -2.12 -0.17 0.00 1.07 0.00 0.00 42.92 41.60 1wg1 s ASP 158 CO 0.33 -0.53 1.55 0.18 1.18 0.00 0.00 175.17 177.88 1wg1 n LEU 159 N 3.89 1.89 -4.43 1.23 4.77 -1.09 -4.53 117.00 118.74 1wg1 n LEU 159 Ca 0.11 1.10 -0.44 0.00 -0.03 0.00 0.00 56.01 56.76 1wg1 n LEU 159 Cb 0.44 -1.12 -0.09 0.00 -2.33 0.00 0.00 43.42 40.32 1wg1 n LEU 159 CO 0.34 -0.77 -0.00 -0.63 -1.33 0.00 0.00 177.39 175.00 1wg1 s ILE 160 N 2.22 5.23 -0.19 -0.08 -1.09 0.17 -1.26 121.20 126.20 1wg1 s ILE 160 Ca 0.94 -0.83 -0.12 0.00 -2.23 0.00 0.00 60.65 58.41 1wg1 s ILE 160 Cb -1.07 -4.04 -0.05 0.00 -1.58 0.00 0.00 42.46 35.72 1wg1 s ILE 160 CO 0.60 -0.45 0.21 -0.69 -1.23 0.00 0.00 174.94 173.37 1wg1 s VAL 161 N 1.71 5.35 0.23 2.92 1.01 -1.26 -1.10 120.40 129.26 1wg1 s VAL 161 Ca 0.05 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.43 1wg1 s VAL 161 Cb -0.21 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1wg1 s VAL 161 CO 0.09 0.39 -0.04 -1.10 0.00 0.00 0.00 175.10 174.44 1wg1 s GLN 162 N 0.56 1.35 0.41 2.72 -1.52 -0.84 -4.73 119.66 117.60 1wg1 s GLN 162 Ca 0.12 -1.66 -0.08 0.00 -1.95 0.00 0.00 55.36 51.79 1wg1 s GLN 162 Cb -0.12 -0.80 -0.05 0.00 -0.22 0.00 0.00 33.01 31.82 1wg1 s GLN 162 CO 0.02 -0.01 0.73 -1.17 -0.25 0.00 0.00 175.29 174.61 1wg1 s LEU 163 N -3.32 3.81 0.10 2.90 2.96 -1.26 -0.65 118.68 123.22 1wg1 s LEU 163 Ca 0.26 0.99 -0.19 0.00 -0.22 0.00 0.00 54.13 54.98 1wg1 s LEU 163 Cb 0.04 -3.88 -0.07 0.00 0.50 0.00 0.00 46.19 42.78 1wg1 s LEU 163 CO 0.08 -0.41 0.59 -1.10 -1.32 0.00 0.00 176.35 174.18 1wg1 s GLN 164 N -4.06 4.18 0.00 1.98 -1.52 -0.98 -4.72 119.66 114.54 1wg1 s GLN 164 Ca 0.49 0.72 0.12 0.00 -1.95 0.00 0.00 55.36 54.74 1wg1 s GLN 164 Cb -0.10 -3.16 0.73 0.00 -0.22 0.00 0.00 33.01 30.26 1wg1 s GLN 164 CO 0.35 0.59 1.16 -0.35 -0.25 0.00 0.00 175.29 176.79 1wg1 n PRO 165 N 1.49 0.49 -1.68 2.91 -0.04 -1.26 -4.82 135.00 132.09 1wg1 n PRO 165 Ca -0.09 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.91 1wg1 n PRO 165 Cb 0.51 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1wg1 n PRO 165 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1wg1 n THR 166 N -0.89 0.42 -0.03 0.52 -1.04 -1.26 -4.86 114.28 107.14 1wg1 n THR 166 Ca 0.09 -0.08 -0.07 0.00 -2.04 0.00 0.00 64.05 61.96 1wg1 n THR 166 Cb 0.04 -1.84 -0.02 0.00 -1.82 0.00 0.00 70.33 66.68 1wg1 n THR 166 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1wg1 n ASP 167 N 5.78 0.70 -3.77 8.00 5.75 -1.26 -4.66 116.55 127.09 1wg1 n ASP 167 Ca 0.21 0.11 -0.13 0.00 -0.01 0.00 0.00 54.79 54.97 1wg1 n ASP 167 Cb 0.31 -0.27 -0.12 0.00 -1.03 0.00 0.00 41.12 40.01 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 -2.16 -0.56 0.56 2.12 0.00 -1.26 -4.78 121.76 115.68 1wg1 s ALA 168 Ca -0.10 0.76 0.34 0.00 0.00 0.00 0.00 51.96 52.95 1wg1 s ALA 168 Cb 0.03 -0.46 1.91 0.00 0.00 0.00 0.00 23.12 24.61 1wg1 s ALA 168 CO 0.13 -0.14 2.25 -0.07 0.00 0.00 0.00 175.76 177.93 1wg1 h LEU 169 N 6.26 0.00 -8.93 0.00 3.38 -1.95 -3.42 115.31 110.65 1wg1 h LEU 169 Ca -0.31 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.02 1wg1 h LEU 169 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1wg1 h LEU 169 CO 0.37 0.02 1.28 -0.11 0.09 0.00 0.00 178.44 180.09 1wg1 n LEU 170 N -3.57 2.83 -4.05 1.67 0.00 -1.26 -4.90 117.00 107.72 1wg1 n LEU 170 Ca -0.03 0.63 -0.35 0.00 0.00 0.00 0.00 56.01 56.26 1wg1 n LEU 170 Cb 0.12 -1.34 -0.07 0.00 0.00 0.00 0.00 43.42 42.12 1wg1 n LEU 170 CO 0.26 -0.46 0.32 0.00 0.00 0.00 0.00 177.39 177.51 1wg1 s SER 172 N -0.50 -0.09 0.00 0.00 0.01 -1.26 -5.12 113.70 106.74 1wg1 s SER 172 Ca 0.28 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1wg1 s SER 172 Cb -0.05 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1wg1 s SER 172 CO -0.12 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1wg1 n GLY 173 N 3.94 0.66 3.58 3.44 0.00 -1.26 -5.01 105.19 110.54 1wg1 n GLY 173 Ca -0.24 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 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 -0.69 3.05 0.12 1.61 0.04 -1.26 -4.90 135.00 132.96 1wg1 s PRO 174 Ca 0.00 0.99 -0.24 0.00 0.04 0.00 0.00 61.00 61.79 1wg1 s PRO 174 Cb 0.00 -4.26 -0.06 0.00 0.04 0.00 0.00 34.50 30.22 1wg1 s PRO 174 CO 0.00 -2.22 1.42 1.03 0.04 0.00 0.00 177.00 177.27 1wg1 h SER 175 N 13.52 -1.63 -2.10 6.66 0.87 -2.01 -3.35 113.55 125.51 1wg1 h SER 175 Ca -0.29 0.24 -0.59 0.00 -1.23 0.00 0.00 61.79 59.92 1wg1 h SER 175 Cb 1.16 0.71 -0.00 0.00 -0.44 0.00 0.00 62.40 63.83 1wg1 h SER 175 CO 1.12 -0.20 1.46 -0.55 -0.53 0.00 0.00 176.83 178.13 1wg1 s SER 176 N -4.85 5.52 0.00 6.23 0.15 -1.26 -5.18 113.70 114.30 1wg1 s SER 176 Ca -0.10 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1wg1 s SER 176 Cb 0.08 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1wg1 s SER 176 CO 0.48 -1.93 0.00 0.61 1.20 0.00 0.00 173.24 173.60