#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 2.29 -3.28 1.61 3.41 -1.26 -4.97 113.62 111.42 1wg1 n SER 91 Ca 0.00 1.12 -0.05 0.00 -0.26 0.00 0.00 58.87 59.67 1wg1 n SER 91 Cb 0.00 -1.32 -0.05 0.00 -0.26 0.00 0.00 64.21 62.57 1wg1 n SER 91 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wg1 s SER 92 N 0.47 -0.21 0.51 4.04 0.15 -1.26 -5.15 113.70 112.25 1wg1 s SER 92 Ca 0.77 0.24 -0.19 0.00 0.70 0.00 0.00 55.95 57.47 1wg1 s SER 92 Cb -0.78 1.41 -0.07 0.00 -1.71 0.00 0.00 66.02 64.86 1wg1 s SER 92 CO 0.46 -0.30 1.04 -0.83 1.20 0.00 0.00 173.24 174.80 1wg1 s GLY 93 N 2.63 2.40 -0.22 9.45 0.00 -1.26 -5.06 107.32 115.26 1wg1 s GLY 93 Ca 0.14 0.53 -0.08 0.00 0.00 0.00 0.00 44.72 45.32 1wg1 s GLY 93 CO -0.21 0.85 0.47 -0.56 0.00 0.00 0.00 173.10 173.65 1wg1 s SER 94 N -2.22 -0.46 0.28 1.64 0.01 -1.26 -4.92 113.70 106.76 1wg1 s SER 94 Ca 0.66 1.12 -0.18 0.00 1.31 0.00 0.00 55.95 58.86 1wg1 s SER 94 Cb -0.16 1.57 -0.09 0.00 0.21 0.00 0.00 66.02 67.56 1wg1 s SER 94 CO 0.24 -0.23 0.75 -0.94 0.41 0.00 0.00 173.24 173.47 1wg1 s SER 95 N 2.68 6.96 0.00 2.44 1.04 -1.26 -4.06 113.70 121.50 1wg1 s SER 95 Ca -0.02 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.81 1wg1 s SER 95 Cb -0.12 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1wg1 s SER 95 CO -0.14 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1wg1 n GLY 96 N 0.24 2.61 3.14 7.32 0.00 -1.26 -4.78 105.19 112.47 1wg1 n GLY 96 Ca 0.01 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.28 0.37 -0.15 -0.61 -4.36 0.49 -3.03 121.20 112.62 1wg1 s ILE 97 Ca 0.00 -1.88 -0.04 0.00 -0.26 0.00 0.00 60.65 58.46 1wg1 s ILE 97 Cb 0.00 -1.75 -0.03 0.00 1.25 0.00 0.00 42.46 41.93 1wg1 s ILE 97 CO 0.00 -0.79 -0.01 -0.76 0.24 0.00 0.00 174.94 173.62 1wg1 s LEU 98 N -3.01 3.40 -0.71 0.37 1.43 0.87 -1.97 118.68 119.06 1wg1 s LEU 98 Ca 0.14 -0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 1wg1 s LEU 98 Cb 0.07 -1.82 0.19 0.00 0.03 0.00 0.00 46.19 44.65 1wg1 s LEU 98 CO -0.04 0.19 0.61 -0.69 0.23 0.00 0.00 176.35 176.65 1wg1 s VAL 99 N 0.23 4.86 0.28 -1.59 1.01 -0.55 -2.04 120.40 122.61 1wg1 s VAL 99 Ca -0.01 -2.51 0.05 0.00 0.00 0.00 0.00 61.98 59.51 1wg1 s VAL 99 Cb -0.13 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1wg1 s VAL 99 CO 0.02 -0.95 0.41 -0.54 0.00 0.00 0.00 175.10 174.05 1wg1 s LYS 100 N 0.29 3.36 -0.54 2.72 1.02 -0.67 -1.83 119.74 124.08 1wg1 s LYS 100 Ca 0.16 -0.77 -0.00 0.00 0.02 0.00 0.00 55.97 55.37 1wg1 s LYS 100 Cb -0.16 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1wg1 s LYS 100 CO -0.06 0.30 0.45 -1.71 -0.92 0.00 0.00 175.35 173.42 1wg1 n ASN 101 N -1.52 -2.25 -4.86 2.83 5.15 -1.24 -1.10 115.26 112.26 1wg1 n ASN 101 Ca -0.06 -0.27 -0.31 0.00 -0.60 0.00 0.00 54.58 53.33 1wg1 n ASN 101 Cb 0.57 -2.55 -0.03 0.00 -0.53 0.00 0.00 39.78 37.24 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 -3.92 3.66 0.00 1.20 1.43 -1.22 -4.35 118.68 115.47 1wg1 s LEU 102 Ca 0.03 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 1wg1 s LEU 102 Cb -0.01 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.91 1wg1 s LEU 102 CO 0.32 -0.55 0.00 -0.81 0.23 0.00 0.00 176.35 175.55 1wg1 n PRO 103 N -1.63 0.03 0.05 1.29 -0.04 -1.26 -4.97 135.00 128.47 1wg1 n PRO 103 Ca 0.05 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1wg1 n PRO 103 Cb 0.54 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.93 1wg1 n PRO 103 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1wg1 h GLN 104 N 0.00 0.00 -0.72 0.54 -0.00 -2.00 -3.35 115.11 109.58 1wg1 h GLN 104 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.13 1wg1 h GLN 104 Cb 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 27.48 27.11 1wg1 h GLN 104 CO 0.00 0.36 -0.55 -0.40 -0.00 0.00 0.00 178.83 178.24 1wg1 n ASP 105 N -2.98 5.00 -4.77 0.06 5.75 -1.26 -5.06 116.55 113.30 1wg1 n ASP 105 Ca -0.08 -3.77 -0.39 0.00 -0.01 0.00 0.00 54.79 50.55 1wg1 n ASP 105 Cb 0.84 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1wg1 n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wg1 s SER 106 N -3.31 6.10 0.07 -1.12 0.15 -1.26 -5.03 113.70 109.31 1wg1 s SER 106 Ca 0.52 2.65 -0.17 0.00 0.70 0.00 0.00 55.95 59.65 1wg1 s SER 106 Cb 0.42 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 62.13 1wg1 s SER 106 CO 0.03 -1.00 0.40 0.20 1.20 0.00 0.00 173.24 174.06 1wg1 s ASN 107 N -0.83 -0.25 0.05 5.45 0.01 -1.26 -4.99 114.94 113.13 1wg1 s ASN 107 Ca 0.60 -0.14 -0.29 0.00 -0.71 0.00 0.00 52.86 52.32 1wg1 s ASN 107 Cb -0.38 0.44 -0.16 0.00 0.41 0.00 0.00 41.25 41.56 1wg1 s ASN 107 CO 0.48 -0.73 1.44 0.00 -1.51 0.00 0.00 177.10 176.77 1wg1 n GLN 109 N -4.81 -0.05 -0.04 0.00 1.13 -1.26 0.20 117.38 112.55 1wg1 n GLN 109 Ca -0.12 1.07 -0.11 0.00 -1.94 0.00 0.00 57.00 55.90 1wg1 n GLN 109 Cb 0.40 -1.83 -0.05 0.00 0.11 0.00 0.00 30.24 28.88 1wg1 n GLN 109 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1wg1 h GLU 110 N 0.00 0.23 0.16 -1.09 3.07 -1.92 -2.47 114.58 112.56 1wg1 h GLU 110 Ca 0.56 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.38 1wg1 h GLU 110 Cb 1.36 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1wg1 h GLU 110 CO -0.63 0.24 -0.08 0.28 -1.40 0.00 0.00 179.01 177.42 1wg1 h VAL 111 N 0.16 0.92 -0.94 3.13 2.07 0.24 -2.32 116.25 119.51 1wg1 h VAL 111 Ca 0.06 -1.05 0.12 0.00 0.82 0.00 0.00 66.70 66.65 1wg1 h VAL 111 Cb 0.08 1.49 -0.14 0.00 -1.52 0.00 0.00 31.29 31.20 1wg1 h VAL 111 CO -0.01 0.22 -0.48 -0.74 0.02 0.00 0.00 177.57 176.58 1wg1 h HIS 112 N -0.79 -1.46 -0.32 1.57 6.17 -0.32 0.20 115.15 120.19 1wg1 h HIS 112 Ca -0.02 0.11 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 1wg1 h HIS 112 Cb 0.53 0.77 -0.02 0.00 2.52 0.00 0.00 27.41 31.21 1wg1 h HIS 112 CO 0.08 -0.39 0.17 0.22 0.71 0.00 0.00 177.93 178.71 1wg1 h ASP 113 N -0.04 0.41 -1.00 3.26 3.58 -1.53 -2.65 116.42 118.45 1wg1 h ASP 113 Ca 0.24 -0.11 0.22 0.00 0.42 0.00 0.00 57.03 57.80 1wg1 h ASP 113 Cb 0.51 -0.11 -0.11 0.00 1.72 0.00 0.00 39.33 41.34 1wg1 h ASP 113 CO -0.92 0.40 0.61 0.25 -2.88 0.00 0.00 179.24 176.69 1wg1 h LEU 114 N 0.40 0.73 -4.56 2.28 5.85 -0.14 0.15 115.31 120.02 1wg1 h LEU 114 Ca 0.11 0.11 -0.69 0.00 0.84 0.00 0.00 57.88 58.25 1wg1 h LEU 114 Cb 0.09 -0.01 -0.26 0.00 0.37 0.00 0.00 40.66 40.85 1wg1 h LEU 114 CO -0.02 0.20 0.92 0.18 -0.34 0.00 0.00 178.44 179.38 1wg1 n LEU 115 N -4.82 7.45 0.10 2.25 4.77 0.19 -4.60 117.00 122.36 1wg1 n LEU 115 Ca 0.25 -4.52 -0.02 0.00 -0.03 0.00 0.00 56.01 51.70 1wg1 n LEU 115 Cb 0.65 -1.05 0.23 0.00 -2.33 0.00 0.00 43.42 40.92 1wg1 n LEU 115 CO 0.19 1.64 0.64 0.07 -1.33 0.00 0.00 177.39 178.60 1wg1 h LYS 116 N 2.60 0.21 -0.77 3.23 -0.00 -0.95 -3.03 116.57 117.86 1wg1 h LYS 116 Ca 0.55 -0.10 0.03 0.00 -0.00 0.00 0.00 60.65 61.14 1wg1 h LYS 116 Cb 0.38 -0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.56 1wg1 h LYS 116 CO 1.41 0.60 0.49 0.22 -0.00 0.00 0.00 179.45 182.17 1wg1 h ASP 117 N 0.17 0.81 -3.15 7.07 3.58 -1.84 -3.42 116.42 119.64 1wg1 h ASP 117 Ca 0.01 -0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.88 1wg1 h ASP 117 Cb 0.82 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.66 1wg1 h ASP 117 CO 0.06 0.56 -0.30 -0.31 -2.88 0.00 0.00 179.24 176.37 1wg1 s TYR 118 N -6.11 3.49 -0.20 0.28 1.51 -1.14 -5.06 117.35 110.12 1wg1 s TYR 118 Ca -0.13 0.59 -0.29 0.00 -1.01 0.00 0.00 57.07 56.24 1wg1 s TYR 118 Cb 0.16 -2.03 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 1wg1 s TYR 118 CO 0.78 0.45 1.01 -0.51 -1.11 0.00 0.00 175.55 176.17 1wg1 s ASP 119 N -2.30 7.10 0.40 2.29 1.11 -1.26 -4.93 116.67 119.08 1wg1 s ASP 119 Ca 0.39 1.38 0.02 0.00 0.18 0.00 0.00 52.55 54.52 1wg1 s ASP 119 Cb -0.12 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.32 1wg1 s ASP 119 CO 0.23 -0.60 0.60 -0.76 1.18 0.00 0.00 175.17 175.82 1wg1 s LEU 120 N 2.89 3.81 0.00 1.23 1.02 -1.26 -0.94 118.68 125.43 1wg1 s LEU 120 Ca 0.44 0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.82 1wg1 s LEU 120 Cb -0.16 -3.11 0.00 0.00 0.02 0.00 0.00 46.19 42.94 1wg1 s LEU 120 CO 0.09 -0.55 0.00 0.29 0.02 0.00 0.00 176.35 176.20 1wg1 n LYS 121 N -1.92 0.00 -3.78 1.70 5.02 -0.21 -4.86 118.16 114.12 1wg1 n LYS 121 Ca -0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1wg1 n LYS 121 Cb 0.57 -0.45 -0.09 0.00 -0.02 0.00 0.00 35.03 35.04 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 -1.61 -0.19 -0.02 2.13 6.14 -1.25 -5.01 117.35 117.53 1wg1 s TYR 122 Ca 0.00 0.36 -0.00 0.00 0.64 0.00 0.00 57.07 58.06 1wg1 s TYR 122 Cb 0.00 0.08 0.03 0.00 0.42 0.00 0.00 41.96 42.49 1wg1 s TYR 122 CO 0.00 -0.32 0.03 0.00 0.64 0.00 0.00 175.55 175.91 1wg1 s TYR 124 N 1.06 1.99 -0.14 0.00 5.04 -0.80 -4.97 117.35 119.52 1wg1 s TYR 124 Ca -0.09 -1.79 -0.24 0.00 -2.44 0.00 0.00 57.07 52.51 1wg1 s TYR 124 Cb -0.13 -1.77 -0.02 0.00 0.35 0.00 0.00 41.96 40.39 1wg1 s TYR 124 CO -0.03 -0.84 0.76 0.08 -1.34 0.00 0.00 175.55 174.18 1wg1 s VAL 125 N 1.52 4.95 -0.52 3.14 1.01 -1.26 -1.53 120.40 127.71 1wg1 s VAL 125 Ca 0.06 1.51 0.03 0.00 0.00 0.00 0.00 61.98 63.58 1wg1 s VAL 125 Cb -0.18 -4.08 0.13 0.00 0.00 0.00 0.00 36.38 32.26 1wg1 s VAL 125 CO -0.18 0.11 0.27 -0.62 0.00 0.00 0.00 175.10 174.67 1wg1 s ASP 126 N 1.07 4.43 0.21 3.32 2.15 -0.23 -4.95 116.67 122.66 1wg1 s ASP 126 Ca 0.37 -2.96 -0.10 0.00 0.43 0.00 0.00 52.55 50.28 1wg1 s ASP 126 Cb -0.17 -1.66 0.16 0.00 -0.30 0.00 0.00 42.92 40.95 1wg1 s ASP 126 CO 0.14 -0.25 1.86 0.03 -0.17 0.00 0.00 175.17 176.78 1wg1 h ARG 127 N 6.60 0.90 -0.89 4.34 3.08 -1.94 1.70 114.38 128.17 1wg1 h ARG 127 Ca -0.07 -0.05 0.24 0.00 0.07 0.00 0.00 59.98 60.16 1wg1 h ARG 127 Cb 0.90 -0.20 -0.14 0.00 0.08 0.00 0.00 29.97 30.61 1wg1 h ARG 127 CO 0.68 0.60 0.31 -0.97 -1.07 0.00 0.00 179.97 179.52 1wg1 h ASN 128 N 0.93 0.14 -0.10 7.04 -0.73 -1.96 0.78 115.58 121.68 1wg1 h ASN 128 Ca 0.27 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.63 1wg1 h ASN 128 Cb -0.06 0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.75 1wg1 h ASN 128 CO -0.08 -0.11 0.00 0.29 -0.37 0.00 0.00 177.43 177.16 1wg1 n LYS 129 N -5.16 1.21 -3.80 6.67 4.76 -0.93 -5.00 118.16 115.92 1wg1 n LYS 129 Ca 0.22 -1.44 -0.24 0.00 -2.87 0.00 0.00 58.31 53.98 1wg1 n LYS 129 Cb 0.70 -1.25 0.01 0.00 -1.84 0.00 0.00 35.03 32.65 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 0.69 -3.58 -3.72 1.97 1.74 0.56 -4.89 116.66 109.43 1wg1 n ARG 130 Ca 0.09 0.51 -0.16 0.00 -0.77 0.00 0.00 57.85 57.52 1wg1 n ARG 130 Cb 0.34 -4.74 -0.16 0.00 -1.02 0.00 0.00 32.46 26.88 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 -3.76 -0.11 -0.22 0.55 2.01 -0.25 -3.42 115.64 110.43 1wg1 s THR 131 Ca 0.08 0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.32 1wg1 s THR 131 Cb -0.03 -0.20 -0.00 0.00 0.01 0.00 0.00 72.50 72.28 1wg1 s THR 131 CO 0.85 0.11 -0.06 0.00 -0.69 0.00 0.00 174.62 174.83 1wg1 s ALA 132 N 1.55 2.76 -0.31 7.40 0.00 -0.76 -1.07 121.76 131.33 1wg1 s ALA 132 Ca -0.04 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.49 1wg1 s ALA 132 Cb -0.12 -1.65 -0.00 0.00 0.00 0.00 0.00 23.12 21.34 1wg1 s ALA 132 CO -0.05 -0.46 0.72 -0.06 0.00 0.00 0.00 175.76 175.91 1wg1 s PHE 133 N 1.45 3.20 -0.08 0.00 0.08 -0.58 -1.48 117.98 120.57 1wg1 s PHE 133 Ca 0.05 0.69 0.00 0.00 0.12 0.00 0.00 56.93 57.80 1wg1 s PHE 133 Cb -0.14 -3.12 -0.03 0.00 -0.57 0.00 0.00 43.02 39.16 1wg1 s PHE 133 CO -0.04 -0.53 -0.08 0.08 -0.10 0.00 0.00 175.22 174.54 1wg1 s VAL 134 N 2.80 3.59 -0.38 -0.44 1.01 -0.83 -1.91 120.40 124.24 1wg1 s VAL 134 Ca 0.29 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1wg1 s VAL 134 Cb -0.14 -2.48 0.10 0.00 0.00 0.00 0.00 36.38 33.85 1wg1 s VAL 134 CO 0.12 0.58 0.15 -0.89 0.00 0.00 0.00 175.10 175.06 1wg1 s THR 135 N -0.51 3.21 1.14 3.92 2.01 -0.77 -0.38 115.64 124.25 1wg1 s THR 135 Ca 0.07 -1.90 -0.19 0.00 0.31 0.00 0.00 61.69 59.98 1wg1 s THR 135 Cb -0.12 -3.12 0.27 0.00 0.01 0.00 0.00 72.50 69.54 1wg1 s THR 135 CO 0.02 -0.55 1.21 -0.76 -0.69 0.00 0.00 174.62 173.85 1wg1 s LEU 136 N 1.16 1.46 -0.05 4.42 1.43 -1.26 -1.04 118.68 124.80 1wg1 s LEU 136 Ca 0.05 0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 53.27 1wg1 s LEU 136 Cb -0.22 -2.15 -0.22 0.00 0.03 0.00 0.00 46.19 43.63 1wg1 s LEU 136 CO -0.03 -3.72 1.15 0.25 0.23 0.00 0.00 176.35 174.23 1wg1 h LEU 137 N -2.31 -0.00 -8.73 1.79 5.85 -1.37 -3.41 115.31 107.12 1wg1 h LEU 137 Ca -0.43 -0.60 -0.30 0.00 0.84 0.00 0.00 57.88 57.39 1wg1 h LEU 137 Cb 1.26 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.14 1wg1 h LEU 137 CO 0.31 0.60 -0.63 0.20 -0.34 0.00 0.00 178.44 178.57 1wg1 s ASN 138 N -5.80 0.91 -0.03 1.25 0.01 -1.26 -4.94 114.94 105.08 1wg1 s ASN 138 Ca -0.17 -1.32 -0.23 0.00 -0.71 0.00 0.00 52.86 50.44 1wg1 s ASN 138 Cb 0.01 0.21 -0.17 0.00 0.41 0.00 0.00 41.25 41.70 1wg1 s ASN 138 CO 0.67 -0.71 1.05 1.23 -1.51 0.00 0.00 177.10 177.83 1wg1 h GLY 139 N 2.55 -0.25 -0.90 0.66 0.00 -1.92 -3.25 103.07 99.97 1wg1 h GLY 139 Ca -0.37 0.09 0.27 0.00 0.00 0.00 0.00 47.33 47.32 1wg1 h GLY 139 CO 0.60 -0.09 0.10 -2.21 0.00 0.00 0.00 176.54 174.93 1wg1 n GLU 140 N -4.97 -0.07 -0.23 4.80 2.13 -1.26 0.17 120.64 121.21 1wg1 n GLU 140 Ca -0.08 1.33 -0.04 0.00 0.66 0.00 0.00 57.16 59.03 1wg1 n GLU 140 Cb 0.26 -2.16 0.07 0.00 0.27 0.00 0.00 31.44 29.87 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 0.78 0.04 5.31 4.20 -1.95 -2.93 115.11 120.56 1wg1 h GLN 141 Ca 0.58 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.24 1wg1 h GLN 141 Cb 1.28 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1wg1 h GLN 141 CO -0.82 0.52 -0.02 0.00 -0.67 0.00 0.00 178.83 177.84 1wg1 h ALA 142 N 1.28 -0.05 -0.76 3.87 0.00 0.17 -1.86 119.26 121.90 1wg1 h ALA 142 Ca 0.26 -0.17 0.31 0.00 0.00 0.00 0.00 54.91 55.31 1wg1 h ALA 142 Cb 0.01 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.68 1wg1 h ALA 142 CO -0.10 -0.36 0.37 1.04 0.00 0.00 0.00 179.25 180.20 1wg1 n GLN 143 N -4.96 -0.05 -0.07 0.00 1.13 -0.07 -0.21 117.38 113.15 1wg1 n GLN 143 Ca -0.08 1.06 -0.05 0.00 -1.94 0.00 0.00 57.00 55.98 1wg1 n GLN 143 Cb 0.19 -1.88 -0.03 0.00 0.11 0.00 0.00 30.24 28.64 1wg1 n GLN 143 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1wg1 h ASN 144 N 0.00 0.00 -1.31 1.08 2.35 -1.53 -3.37 115.58 112.80 1wg1 h ASN 144 Ca 0.63 -0.11 0.47 0.00 -0.55 0.00 0.00 56.30 56.74 1wg1 h ASN 144 Cb 1.63 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.85 1wg1 h ASN 144 CO -0.60 0.76 0.82 0.00 -1.65 0.00 0.00 177.43 176.76 1wg1 n ALA 145 N -3.28 1.30 -0.02 -0.83 0.00 -0.10 -0.90 120.51 116.67 1wg1 n ALA 145 Ca -0.08 0.91 -0.09 0.00 0.00 0.00 0.00 53.44 54.18 1wg1 n ALA 145 Cb 0.23 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 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 0.00 -0.04 0.00 2.04 -0.75 0.30 117.51 119.06 1wg1 h ILE 146 Ca 0.88 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.72 1wg1 h ILE 146 Cb 2.73 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1wg1 h ILE 146 CO -0.53 0.00 -0.07 1.56 0.00 0.00 0.00 178.15 179.11 1wg1 h GLN 147 N -0.33 0.12 -1.21 2.37 4.20 -1.22 1.22 115.11 120.27 1wg1 h GLN 147 Ca 0.02 -0.07 0.35 0.00 0.06 0.00 0.00 58.65 59.01 1wg1 h GLN 147 Cb 0.40 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 1wg1 h GLN 147 CO -0.28 0.64 0.86 0.52 -0.67 0.00 0.00 178.83 179.89 1wg1 h MET 148 N -0.38 0.06 0.00 1.46 2.86 -1.02 0.34 114.93 118.24 1wg1 h MET 148 Ca 0.00 -0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 1wg1 h MET 148 Cb 0.63 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 1wg1 h MET 148 CO 0.02 0.04 -1.91 1.19 1.06 0.00 0.00 176.91 177.31 1wg1 n PHE 149 N -4.25 0.00 -1.48 -0.22 3.01 0.10 -4.89 117.46 109.74 1wg1 n PHE 149 Ca 0.27 0.00 -0.52 0.00 1.01 0.00 0.00 57.45 58.21 1wg1 n PHE 149 Cb 1.24 -0.59 -0.05 0.00 -0.01 0.00 0.00 39.48 40.07 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 -2.36 0.32 -3.47 1.38 -0.00 0.42 0.47 115.22 111.98 1wg1 n HIS 150 Ca -0.16 0.94 -0.24 0.00 -0.00 0.00 0.00 57.72 58.25 1wg1 n HIS 150 Cb 0.76 -2.08 -0.01 0.00 -0.00 0.00 0.00 29.99 28.66 1wg1 n HIS 150 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1wg1 n GLN 151 N 1.31 -3.23 -1.61 1.57 10.64 0.17 -4.90 117.38 121.33 1wg1 n GLN 151 Ca 0.18 0.43 -0.32 0.00 -1.83 0.00 0.00 57.00 55.45 1wg1 n GLN 151 Cb 0.19 -5.12 0.06 0.00 -0.86 0.00 0.00 30.24 24.51 1wg1 n GLN 151 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.06 174.76 1wg1 s TYR 152 N -2.94 2.59 -0.55 2.61 5.04 0.18 -4.70 117.35 119.58 1wg1 s TYR 152 Ca 0.44 1.56 -0.28 0.00 -2.44 0.00 0.00 57.07 56.34 1wg1 s TYR 152 Cb -0.23 -3.15 0.02 0.00 0.35 0.00 0.00 41.96 38.95 1wg1 s TYR 152 CO 0.54 -1.75 1.37 0.45 -1.34 0.00 0.00 175.55 174.82 1wg1 s SER 153 N -2.78 6.21 -0.24 4.32 0.15 -1.26 -3.63 113.70 116.47 1wg1 s SER 153 Ca 0.66 0.31 -0.03 0.00 0.70 0.00 0.00 55.95 57.59 1wg1 s SER 153 Cb -0.20 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.67 1wg1 s SER 153 CO 0.46 -1.63 0.22 0.12 1.20 0.00 0.00 173.24 173.61 1wg1 s PHE 154 N 5.77 -0.22 -1.46 3.44 5.36 -1.15 -4.88 117.98 124.84 1wg1 s PHE 154 Ca 0.51 -0.08 -0.07 0.00 -0.96 0.00 0.00 56.93 56.34 1wg1 s PHE 154 Cb -0.10 -0.48 0.03 0.00 -0.34 0.00 0.00 43.02 42.12 1wg1 s PHE 154 CO 0.26 -0.73 0.62 0.54 -1.46 0.00 0.00 175.22 174.46 1wg1 n ARG 155 N 5.30 -4.64 -1.39 10.12 1.74 -1.26 -0.52 116.66 126.02 1wg1 n ARG 155 Ca -0.05 0.75 -0.13 0.00 -0.77 0.00 0.00 57.85 57.65 1wg1 n ARG 155 Cb 0.47 -5.58 -0.06 0.00 -1.02 0.00 0.00 32.46 26.28 1wg1 n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wg1 n GLY 156 N -1.45 1.40 3.50 -0.13 0.00 -1.26 -4.99 105.19 102.25 1wg1 n GLY 156 Ca -0.07 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.11 2.24 -1.26 1.61 -0.14 0.32 -5.04 119.74 114.36 1wg1 s LYS 157 Ca 0.00 -0.89 -0.06 0.00 -1.36 0.00 0.00 55.97 53.66 1wg1 s LYS 157 Cb 0.00 -2.29 0.17 0.00 -1.68 0.00 0.00 37.83 34.03 1wg1 s LYS 157 CO 0.00 0.56 2.06 -0.25 -0.76 0.00 0.00 175.35 176.96 1wg1 n ASP 158 N 1.58 6.69 -4.44 2.83 9.92 -1.26 -2.93 116.55 128.93 1wg1 n ASP 158 Ca -0.16 -3.20 -0.62 0.00 -0.53 0.00 0.00 54.79 50.28 1wg1 n ASP 158 Cb 0.52 -1.38 -0.09 0.00 -0.64 0.00 0.00 41.12 39.53 1wg1 n ASP 158 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1wg1 n LEU 159 N 2.36 0.89 -4.41 0.64 4.77 -1.24 -4.27 117.00 115.75 1wg1 n LEU 159 Ca 0.49 1.12 -0.44 0.00 -0.03 0.00 0.00 56.01 57.15 1wg1 n LEU 159 Cb 0.30 -0.84 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 1wg1 n LEU 159 CO 0.73 -1.02 0.46 -0.63 -1.33 0.00 0.00 177.39 175.60 1wg1 s ILE 160 N 2.22 4.73 -0.16 -0.08 1.01 -0.26 0.45 121.20 129.11 1wg1 s ILE 160 Ca 0.96 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 60.79 1wg1 s ILE 160 Cb -1.37 -4.47 -0.05 0.00 0.01 0.00 0.00 42.46 36.58 1wg1 s ILE 160 CO 0.72 -1.09 0.26 -0.69 0.00 0.00 0.00 174.94 174.14 1wg1 s VAL 161 N 2.95 5.32 0.28 2.92 1.01 -1.26 -1.67 120.40 129.96 1wg1 s VAL 161 Ca 0.15 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.64 1wg1 s VAL 161 Cb -0.21 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1wg1 s VAL 161 CO 0.09 0.42 0.19 -1.10 0.00 0.00 0.00 175.10 174.70 1wg1 s GLN 162 N 0.31 1.53 0.02 2.72 -0.21 -0.86 -4.70 119.66 118.47 1wg1 s GLN 162 Ca 0.15 -1.86 -0.00 0.00 0.02 0.00 0.00 55.36 53.67 1wg1 s GLN 162 Cb -0.13 0.17 -0.04 0.00 1.00 0.00 0.00 33.01 34.02 1wg1 s GLN 162 CO 0.03 -0.50 0.13 -1.17 -2.12 0.00 0.00 175.29 171.66 1wg1 s LEU 163 N -3.31 4.08 0.48 2.90 2.96 -1.26 -0.09 118.68 124.44 1wg1 s LEU 163 Ca 0.39 0.19 -0.24 0.00 -0.22 0.00 0.00 54.13 54.24 1wg1 s LEU 163 Cb 0.05 -2.52 -0.07 0.00 0.50 0.00 0.00 46.19 44.14 1wg1 s LEU 163 CO 0.19 0.23 1.41 -1.10 -1.32 0.00 0.00 176.35 175.77 1wg1 s GLN 164 N -2.06 3.51 0.89 1.98 -0.21 -1.17 -4.80 119.66 117.81 1wg1 s GLN 164 Ca 0.27 2.37 -0.11 0.00 0.02 0.00 0.00 55.36 57.91 1wg1 s GLN 164 Cb -0.12 -2.53 0.13 0.00 1.00 0.00 0.00 33.01 31.48 1wg1 s GLN 164 CO 0.19 -0.94 1.09 -1.25 -2.12 0.00 0.00 175.29 172.26 1wg1 s PRO 165 N -2.60 1.28 -0.20 2.91 0.04 -1.26 -5.02 135.00 130.15 1wg1 s PRO 165 Ca 0.64 0.83 -0.08 0.00 0.04 0.00 0.00 61.00 62.43 1wg1 s PRO 165 Cb -0.43 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.38 1wg1 s PRO 165 CO 0.54 -2.23 0.44 0.99 0.04 0.00 0.00 177.00 176.78 1wg1 s THR 166 N -2.93 -0.49 -0.22 1.26 2.01 -1.26 -5.04 115.64 108.97 1wg1 s THR 166 Ca 0.63 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.73 1wg1 s THR 166 Cb -0.18 -0.69 -0.12 0.00 0.01 0.00 0.00 72.50 71.52 1wg1 s THR 166 CO 0.57 0.05 -0.23 -0.67 -0.69 0.00 0.00 174.62 173.66 1wg1 n ASP 167 N 5.07 2.04 -3.65 3.53 2.03 -1.26 -5.10 116.55 119.21 1wg1 n ASP 167 Ca -0.13 0.05 0.01 0.00 0.52 0.00 0.00 54.79 55.23 1wg1 n ASP 167 Cb 0.51 -0.47 0.01 0.00 -0.72 0.00 0.00 41.12 40.45 1wg1 n ASP 167 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wg1 s ALA 168 N -2.41 -2.14 0.42 -1.67 0.00 -1.26 -5.15 121.76 109.55 1wg1 s ALA 168 Ca -0.29 0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.65 1wg1 s ALA 168 Cb 0.09 0.66 -0.15 0.00 0.00 0.00 0.00 23.12 23.72 1wg1 s ALA 168 CO 0.45 -1.09 0.08 -0.11 0.00 0.00 0.00 175.76 175.08 1wg1 n LEU 169 N -0.68 -2.86 -4.20 0.00 7.94 -1.26 -4.90 117.00 111.04 1wg1 n LEU 169 Ca -0.03 0.79 -0.41 0.00 -1.11 0.00 0.00 56.01 55.26 1wg1 n LEU 169 Cb 0.60 -0.89 -0.07 0.00 0.53 0.00 0.00 43.42 43.59 1wg1 n LEU 169 CO 0.15 -4.23 0.09 -0.22 -1.11 0.00 0.00 177.39 172.07 1wg1 s LEU 170 N 4.33 5.79 0.38 -1.96 2.96 -1.26 -5.07 118.68 123.86 1wg1 s LEU 170 Ca 0.59 -2.35 0.08 0.00 -0.22 0.00 0.00 54.13 52.23 1wg1 s LEU 170 Cb -0.62 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 1wg1 s LEU 170 CO 0.63 -0.57 0.31 0.00 -1.32 0.00 0.00 176.35 175.39 1wg1 s SER 172 N -4.03 4.77 0.00 0.00 0.15 -1.26 -4.82 113.70 108.51 1wg1 s SER 172 Ca 0.44 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1wg1 s SER 172 Cb -0.03 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 1wg1 s SER 172 CO 0.26 -1.66 0.00 0.61 1.20 0.00 0.00 173.24 173.65 1wg1 n GLY 173 N -3.03 -0.45 0.00 9.45 0.00 -1.26 -4.91 105.19 104.99 1wg1 n GLY 173 Ca 0.08 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.43 0.49 -2.90 1.61 -0.04 -1.26 -4.82 135.00 127.65 1wg1 n PRO 174 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1wg1 n PRO 174 Cb 0.01 -1.40 0.04 0.00 -0.04 0.00 0.00 33.50 32.11 1wg1 n PRO 174 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wg1 n SER 175 N -0.90 -3.48 -0.11 3.54 2.88 -1.26 -4.94 113.62 109.35 1wg1 n SER 175 Ca 0.09 -0.25 -0.05 0.00 -1.33 0.00 0.00 58.87 57.33 1wg1 n SER 175 Cb 0.04 -2.51 0.01 0.00 -0.75 0.00 0.00 64.21 61.00 1wg1 n SER 175 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wg1 h SER 176 N -1.11 -0.37 0.00 -3.46 0.87 -2.03 -3.57 113.55 103.88 1wg1 h SER 176 Ca -0.25 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1wg1 h SER 176 Cb 1.16 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1wg1 h SER 176 CO 0.24 -0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.02