#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 6.85 0.28 1.61 0.01 -1.26 -5.00 113.70 116.20 1wg1 s SER 91 Ca 0.00 2.08 -0.02 0.00 1.31 0.00 0.00 55.95 59.32 1wg1 s SER 91 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1wg1 s SER 91 CO 0.00 -0.73 0.32 -0.44 0.41 0.00 0.00 173.24 172.80 1wg1 s SER 92 N 1.97 0.66 0.33 2.44 0.01 -1.26 -5.13 113.70 112.72 1wg1 s SER 92 Ca 0.63 -1.42 -0.29 0.00 1.31 0.00 0.00 55.95 56.19 1wg1 s SER 92 Cb -0.30 0.54 -0.12 0.00 0.21 0.00 0.00 66.02 66.34 1wg1 s SER 92 CO 0.26 -1.07 1.41 0.61 0.41 0.00 0.00 173.24 174.86 1wg1 n GLY 93 N -0.45 0.92 3.75 3.44 0.00 -1.26 -4.99 105.19 106.60 1wg1 n GLY 93 Ca 0.02 0.36 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 1wg1 n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg1 s SER 94 N -0.06 5.55 0.94 1.61 1.04 -1.26 -4.31 113.70 117.20 1wg1 s SER 94 Ca 0.57 0.15 -0.11 0.00 0.48 0.00 0.00 55.95 57.04 1wg1 s SER 94 Cb -0.54 -1.58 0.15 0.00 0.10 0.00 0.00 66.02 64.15 1wg1 s SER 94 CO 0.59 0.31 1.10 -0.55 0.98 0.00 0.00 173.24 175.67 1wg1 s SER 95 N -1.45 2.94 0.00 7.02 0.15 -1.26 -4.68 113.70 116.43 1wg1 s SER 95 Ca 0.19 1.80 0.00 0.00 0.70 0.00 0.00 55.95 58.65 1wg1 s SER 95 Cb -0.12 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wg1 s SER 95 CO 0.10 -3.02 0.00 0.61 1.20 0.00 0.00 173.24 172.13 1wg1 n GLY 96 N -0.28 2.77 3.21 9.45 0.00 -1.26 -4.89 105.19 114.18 1wg1 n GLY 96 Ca 0.08 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 1.30 -0.15 -0.61 -4.36 -0.08 -3.60 121.20 113.70 1wg1 s ILE 97 Ca 0.00 -1.39 -0.06 0.00 -0.26 0.00 0.00 60.65 58.94 1wg1 s ILE 97 Cb 0.00 -1.23 -0.04 0.00 1.25 0.00 0.00 42.46 42.44 1wg1 s ILE 97 CO 0.00 -0.18 0.05 -0.76 0.24 0.00 0.00 174.94 174.29 1wg1 s LEU 98 N -1.81 3.76 -0.63 0.37 1.43 0.60 -2.12 118.68 120.29 1wg1 s LEU 98 Ca 0.01 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.09 1wg1 s LEU 98 Cb -0.10 -1.92 0.16 0.00 0.03 0.00 0.00 46.19 44.36 1wg1 s LEU 98 CO 0.03 0.24 0.55 -0.69 0.23 0.00 0.00 176.35 176.71 1wg1 s VAL 99 N -0.04 4.98 0.19 -1.59 1.01 0.13 -2.13 120.40 122.95 1wg1 s VAL 99 Ca 0.06 -2.03 0.04 0.00 0.00 0.00 0.00 61.98 60.04 1wg1 s VAL 99 Cb -0.12 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1wg1 s VAL 99 CO 0.01 -0.90 0.29 -0.54 0.00 0.00 0.00 175.10 173.96 1wg1 s LYS 100 N 0.90 3.34 -0.35 2.72 1.02 0.49 -1.32 119.74 126.54 1wg1 s LYS 100 Ca 0.10 -0.73 -0.00 0.00 0.02 0.00 0.00 55.97 55.36 1wg1 s LYS 100 Cb -0.22 -2.87 -0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1wg1 s LYS 100 CO -0.02 0.47 0.29 -1.71 -0.92 0.00 0.00 175.35 173.46 1wg1 n ASN 101 N -0.91 -2.27 -4.90 2.83 5.15 -1.25 -0.01 115.26 113.90 1wg1 n ASN 101 Ca -0.08 -0.19 -0.29 0.00 -0.60 0.00 0.00 54.58 53.42 1wg1 n ASN 101 Cb 0.56 -1.88 -0.03 0.00 -0.53 0.00 0.00 39.78 37.89 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 -3.37 4.11 0.00 1.20 1.43 -1.18 -4.23 118.68 116.65 1wg1 s LEU 102 Ca 0.03 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1wg1 s LEU 102 Cb -0.00 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1wg1 s LEU 102 CO 0.22 -0.14 0.00 -0.81 0.23 0.00 0.00 176.35 175.84 1wg1 n PRO 103 N -0.74 -0.25 0.00 1.29 -0.04 -1.26 -4.93 135.00 129.07 1wg1 n PRO 103 Ca -0.02 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.56 1wg1 n PRO 103 Cb 0.54 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.20 1wg1 n PRO 103 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wg1 n GLN 104 N -0.93 0.24 -0.30 0.54 10.64 -1.26 -3.95 117.38 122.36 1wg1 n GLN 104 Ca 0.00 -0.15 0.08 0.00 -1.83 0.00 0.00 57.00 55.10 1wg1 n GLN 104 Cb 0.00 -1.50 0.14 0.00 -0.86 0.00 0.00 30.24 28.02 1wg1 n GLN 104 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1wg1 n ASP 105 N -1.25 1.93 -4.74 2.61 5.68 -1.26 -5.06 116.55 114.45 1wg1 n ASP 105 Ca 0.07 -3.16 -0.42 0.00 -0.50 0.00 0.00 54.79 50.78 1wg1 n ASP 105 Cb 0.34 -0.43 -0.01 0.00 -1.14 0.00 0.00 41.12 39.88 1wg1 n ASP 105 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1wg1 n SER 106 N -1.16 3.52 -3.81 -1.12 2.88 -1.25 -5.00 113.62 107.67 1wg1 n SER 106 Ca 0.15 1.19 -0.10 0.00 -1.33 0.00 0.00 58.87 58.79 1wg1 n SER 106 Cb 0.68 -1.57 -0.06 0.00 -0.75 0.00 0.00 64.21 62.51 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 0.07 -0.06 0.04 -3.46 0.01 -1.26 -4.92 114.94 105.35 1wg1 s ASN 107 Ca 0.58 -0.60 -0.31 0.00 -0.71 0.00 0.00 52.86 51.82 1wg1 s ASN 107 Cb -0.52 0.44 -0.18 0.00 0.41 0.00 0.00 41.25 41.41 1wg1 s ASN 107 CO 0.57 -0.87 1.40 0.00 -1.51 0.00 0.00 177.10 176.70 1wg1 n GLN 109 N -5.46 -0.04 0.23 0.00 6.02 -1.26 0.37 117.38 117.25 1wg1 n GLN 109 Ca -0.13 1.17 -0.14 0.00 -0.01 0.00 0.00 57.00 57.89 1wg1 n GLN 109 Cb 0.40 -2.20 -0.07 0.00 1.02 0.00 0.00 30.24 29.39 1wg1 n GLN 109 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1wg1 h GLU 110 N 0.00 -0.60 0.15 -1.09 4.39 -1.93 -2.90 114.58 112.60 1wg1 h GLU 110 Ca 0.77 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.50 1wg1 h GLU 110 Cb 2.25 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 31.03 1wg1 h GLU 110 CO -0.55 -0.29 -0.07 0.28 -1.16 0.00 0.00 179.01 177.21 1wg1 h VAL 111 N -0.95 0.85 -0.65 3.13 2.07 0.07 -1.03 116.25 119.74 1wg1 h VAL 111 Ca -0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.52 1wg1 h VAL 111 Cb 0.58 0.85 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 1wg1 h VAL 111 CO 0.10 0.00 -0.47 -0.74 0.02 0.00 0.00 177.57 176.48 1wg1 h HIS 112 N -0.20 -1.49 -0.83 1.57 -0.00 -0.59 0.27 115.15 113.89 1wg1 h HIS 112 Ca -0.02 0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1wg1 h HIS 112 Cb 0.15 0.73 -0.04 0.00 -0.00 0.00 0.00 27.41 28.26 1wg1 h HIS 112 CO -0.07 -0.33 0.53 -0.44 -0.00 0.00 0.00 177.93 177.62 1wg1 h ASP 113 N -0.11 0.96 -0.36 3.26 5.19 -1.46 -2.61 116.42 121.29 1wg1 h ASP 113 Ca 0.11 -0.03 0.06 0.00 -0.62 0.00 0.00 57.03 56.55 1wg1 h ASP 113 Cb 0.38 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 39.60 1wg1 h ASP 113 CO -0.67 0.71 -0.00 0.25 -3.12 0.00 0.00 179.24 176.41 1wg1 h LEU 114 N 1.13 -0.15 -4.03 1.55 5.85 0.79 -1.78 115.31 118.67 1wg1 h LEU 114 Ca 0.30 0.08 -0.63 0.00 0.84 0.00 0.00 57.88 58.48 1wg1 h LEU 114 Cb -0.11 0.15 -0.26 0.00 0.37 0.00 0.00 40.66 40.81 1wg1 h LEU 114 CO -0.06 -0.04 0.81 0.18 -0.34 0.00 0.00 178.44 178.99 1wg1 n LEU 115 N -5.18 7.46 -0.34 2.25 4.77 0.25 -4.62 117.00 121.59 1wg1 n LEU 115 Ca 0.02 -4.18 0.00 0.00 -0.03 0.00 0.00 56.01 51.82 1wg1 n LEU 115 Cb 0.19 -1.01 0.17 0.00 -2.33 0.00 0.00 43.42 40.43 1wg1 n LEU 115 CO 0.21 1.47 1.28 0.07 -1.33 0.00 0.00 177.39 179.08 1wg1 h LYS 116 N 2.05 1.18 -1.01 3.23 2.10 -1.05 -1.82 116.57 121.26 1wg1 h LYS 116 Ca 0.55 -0.07 0.24 0.00 -2.00 0.00 0.00 60.65 59.37 1wg1 h LYS 116 Cb 0.74 -0.27 -0.09 0.00 -0.90 0.00 0.00 32.23 31.71 1wg1 h LYS 116 CO 1.43 0.78 0.65 -0.44 -2.00 0.00 0.00 179.45 179.86 1wg1 h ASP 117 N 1.22 0.48 -1.75 7.07 3.32 -1.84 -3.41 116.42 121.51 1wg1 h ASP 117 Ca 0.37 0.08 -0.43 0.00 0.02 0.00 0.00 57.03 57.07 1wg1 h ASP 117 Cb -0.02 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.54 1wg1 h ASP 117 CO -0.11 0.13 -0.31 -0.31 -1.72 0.00 0.00 179.24 176.92 1wg1 s TYR 118 N -5.52 3.03 -0.28 4.55 1.51 -0.68 -5.09 117.35 114.87 1wg1 s TYR 118 Ca -0.09 -0.25 -0.13 0.00 -1.01 0.00 0.00 57.07 55.59 1wg1 s TYR 118 Cb 0.25 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1wg1 s TYR 118 CO 0.80 -0.15 0.28 0.34 -1.11 0.00 0.00 175.55 175.70 1wg1 s ASP 119 N -4.23 6.12 -0.10 2.29 2.15 -1.26 -4.96 116.67 116.69 1wg1 s ASP 119 Ca 0.48 0.09 -0.17 0.00 0.43 0.00 0.00 52.55 53.38 1wg1 s ASP 119 Cb -0.10 -2.16 -0.05 0.00 -0.30 0.00 0.00 42.92 40.32 1wg1 s ASP 119 CO 0.32 -0.13 0.44 -0.76 -0.17 0.00 0.00 175.17 174.87 1wg1 s LEU 120 N 1.90 4.31 -0.26 -1.34 1.02 -1.26 -2.53 118.68 120.52 1wg1 s LEU 120 Ca 0.10 0.81 -0.02 0.00 0.02 0.00 0.00 54.13 55.04 1wg1 s LEU 120 Cb -0.16 -2.63 -0.16 0.00 0.02 0.00 0.00 46.19 43.26 1wg1 s LEU 120 CO 0.11 0.08 -0.26 0.29 0.02 0.00 0.00 176.35 176.59 1wg1 n LYS 121 N 3.26 0.63 -3.76 1.70 5.02 -0.33 -5.01 118.16 119.67 1wg1 n LYS 121 Ca -0.09 0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1wg1 n LYS 121 Cb 0.52 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.51 -0.31 -0.01 2.13 6.14 -1.25 -5.01 117.35 116.52 1wg1 s TYR 122 Ca -0.35 0.71 0.01 0.00 0.64 0.00 0.00 57.07 58.07 1wg1 s TYR 122 Cb 0.10 0.12 0.01 0.00 0.42 0.00 0.00 41.96 42.61 1wg1 s TYR 122 CO 0.56 -0.24 -0.03 0.00 0.64 0.00 0.00 175.55 176.49 1wg1 s TYR 124 N 0.31 0.11 -0.20 0.00 6.14 -0.70 -4.96 117.35 118.06 1wg1 s TYR 124 Ca -0.03 -0.04 -0.09 0.00 0.64 0.00 0.00 57.07 57.55 1wg1 s TYR 124 Cb -0.06 -0.59 -0.05 0.00 0.42 0.00 0.00 41.96 41.69 1wg1 s TYR 124 CO -0.01 -0.38 0.10 0.08 0.64 0.00 0.00 175.55 175.98 1wg1 s VAL 125 N 2.16 5.11 -0.53 3.14 1.01 -1.26 -0.53 120.40 129.50 1wg1 s VAL 125 Ca 0.03 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1wg1 s VAL 125 Cb -0.14 -3.32 0.13 0.00 0.00 0.00 0.00 36.38 33.05 1wg1 s VAL 125 CO -0.07 0.44 0.27 -1.81 0.00 0.00 0.00 175.10 173.94 1wg1 s ASP 126 N 0.44 4.36 0.35 3.32 1.01 -0.11 -4.95 116.67 121.09 1wg1 s ASP 126 Ca 0.06 -3.04 0.12 0.00 0.71 0.00 0.00 52.55 50.39 1wg1 s ASP 126 Cb -0.12 -1.65 0.91 0.00 1.01 0.00 0.00 42.92 43.08 1wg1 s ASP 126 CO -0.00 -0.23 1.78 0.08 0.21 0.00 0.00 175.17 177.01 1wg1 h ARG 127 N 6.47 0.57 -0.08 8.23 0.11 -1.91 0.78 114.38 128.55 1wg1 h ARG 127 Ca -0.07 -0.03 0.04 0.00 0.10 0.00 0.00 59.98 60.02 1wg1 h ARG 127 Cb 0.89 -0.13 -0.06 0.00 1.11 0.00 0.00 29.97 31.78 1wg1 h ARG 127 CO 0.69 0.38 -0.39 -0.91 0.10 0.00 0.00 179.97 179.83 1wg1 h ASN 128 N 0.58 -1.21 -0.61 0.08 4.21 -1.96 -1.55 115.58 115.13 1wg1 h ASN 128 Ca 0.57 0.16 0.00 0.00 1.21 0.00 0.00 56.30 58.24 1wg1 h ASN 128 Cb 1.14 0.49 0.00 0.00 -1.12 0.00 0.00 38.32 38.83 1wg1 h ASN 128 CO -0.34 -0.42 0.00 0.29 -1.29 0.00 0.00 177.43 175.67 1wg1 n LYS 129 N -5.43 2.93 -4.20 0.81 4.76 -0.63 -4.95 118.16 111.44 1wg1 n LYS 129 Ca -0.04 -2.41 -0.35 0.00 -2.87 0.00 0.00 58.31 52.64 1wg1 n LYS 129 Cb 0.36 -1.65 -0.06 0.00 -1.84 0.00 0.00 35.03 31.83 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 1.18 -0.73 -3.85 1.97 1.74 0.26 -4.89 116.66 112.35 1wg1 n ARG 130 Ca 0.22 0.07 -0.13 0.00 -0.77 0.00 0.00 57.85 57.24 1wg1 n ARG 130 Cb 0.66 -3.12 -0.15 0.00 -1.02 0.00 0.00 32.46 28.84 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 -4.12 0.00 -0.08 0.55 2.01 -0.98 -3.08 115.64 109.95 1wg1 s THR 131 Ca 0.14 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.26 1wg1 s THR 131 Cb -0.08 -0.06 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 1wg1 s THR 131 CO 0.96 0.04 -0.21 0.00 -0.69 0.00 0.00 174.62 174.72 1wg1 s ALA 132 N 0.43 2.32 -0.29 7.40 0.00 -0.44 -0.93 121.76 130.26 1wg1 s ALA 132 Ca -0.04 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.83 1wg1 s ALA 132 Cb -0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1wg1 s ALA 132 CO -0.01 0.39 0.14 -0.06 0.00 0.00 0.00 175.76 176.21 1wg1 s PHE 133 N -0.07 3.16 -0.11 0.00 0.40 0.31 0.18 117.98 121.85 1wg1 s PHE 133 Ca -0.05 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 1wg1 s PHE 133 Cb -0.14 -2.33 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 1wg1 s PHE 133 CO 0.04 -0.35 -0.20 0.08 0.70 0.00 0.00 175.22 175.49 1wg1 s VAL 134 N 1.65 2.39 -0.40 -0.44 1.01 -0.90 -1.72 120.40 122.01 1wg1 s VAL 134 Ca 0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1wg1 s VAL 134 Cb -0.16 -1.95 0.09 0.00 0.00 0.00 0.00 36.38 34.36 1wg1 s VAL 134 CO 0.07 0.55 0.19 -0.89 0.00 0.00 0.00 175.10 175.02 1wg1 s THR 135 N 0.30 3.56 1.10 3.92 2.01 -0.83 -0.90 115.64 124.79 1wg1 s THR 135 Ca -0.15 -1.73 -0.18 0.00 0.31 0.00 0.00 61.69 59.93 1wg1 s THR 135 Cb -0.17 -3.28 0.27 0.00 0.01 0.00 0.00 72.50 69.33 1wg1 s THR 135 CO 0.08 -0.54 1.06 0.18 -0.69 0.00 0.00 174.62 174.71 1wg1 n LEU 136 N 4.71 0.00 0.15 4.42 4.77 -1.26 -1.18 117.00 128.60 1wg1 n LEU 136 Ca -0.07 -1.14 -0.07 0.00 -0.03 0.00 0.00 56.01 54.71 1wg1 n LEU 136 Cb 0.42 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 1wg1 n LEU 136 CO 0.34 -1.94 0.18 0.25 -1.33 0.00 0.00 177.39 174.89 1wg1 h LEU 137 N 0.00 -0.38 -9.43 2.23 5.85 -1.89 -3.44 115.31 108.25 1wg1 h LEU 137 Ca -0.39 0.01 -0.61 0.00 0.84 0.00 0.00 57.88 57.74 1wg1 h LEU 137 Cb 1.15 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 42.15 1wg1 h LEU 137 CO 0.26 0.05 -0.67 0.20 -0.34 0.00 0.00 178.44 177.94 1wg1 s ASN 138 N -5.00 3.67 -0.05 1.25 0.01 -1.26 -4.86 114.94 108.70 1wg1 s ASN 138 Ca -0.07 -1.22 -0.26 0.00 -0.71 0.00 0.00 52.86 50.61 1wg1 s ASN 138 Cb 0.01 -0.34 -0.21 0.00 0.41 0.00 0.00 41.25 41.12 1wg1 s ASN 138 CO 0.20 -0.24 1.10 1.23 -1.51 0.00 0.00 177.10 177.87 1wg1 h GLY 139 N 2.01 -0.03 -1.07 0.66 0.00 -1.83 -3.19 103.07 99.61 1wg1 h GLY 139 Ca -0.42 0.01 0.43 0.00 0.00 0.00 0.00 47.33 47.35 1wg1 h GLY 139 CO 0.71 -0.01 0.85 -2.09 0.00 0.00 0.00 176.54 176.00 1wg1 h GLU 140 N -0.66 0.09 -0.20 4.80 4.81 -1.93 1.42 114.58 122.91 1wg1 h GLU 140 Ca -0.00 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 1wg1 h GLU 140 Cb 0.61 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1wg1 h GLU 140 CO 0.01 0.06 -0.56 1.96 -0.73 0.00 0.00 179.01 179.74 1wg1 h GLN 141 N 0.10 0.63 0.00 1.92 4.20 -1.99 -3.27 115.11 116.70 1wg1 h GLN 141 Ca 0.81 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 59.12 1wg1 h GLN 141 Cb 2.54 0.05 0.00 0.00 0.30 0.00 0.00 27.48 30.37 1wg1 h GLN 141 CO -0.40 1.02 -0.00 0.00 -0.67 0.00 0.00 178.83 178.78 1wg1 h ALA 142 N 0.89 -0.01 -1.70 3.87 0.00 0.19 -1.43 119.26 121.07 1wg1 h ALA 142 Ca 0.01 -0.20 0.49 0.00 0.00 0.00 0.00 54.91 55.21 1wg1 h ALA 142 Cb 1.13 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1wg1 h ALA 142 CO 0.11 -0.30 1.29 1.96 0.00 0.00 0.00 179.25 182.31 1wg1 h GLN 143 N -0.41 0.00 0.00 0.00 1.08 -1.20 -0.41 115.11 114.17 1wg1 h GLN 143 Ca -0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1wg1 h GLN 143 Cb 0.41 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1wg1 h GLN 143 CO 0.00 0.00 -0.80 0.09 -0.95 0.00 0.00 178.83 177.17 1wg1 n ASN 144 N -3.87 1.86 -0.63 1.46 3.02 -1.13 -4.29 115.26 111.68 1wg1 n ASN 144 Ca 0.38 0.52 0.49 0.00 -0.03 0.00 0.00 54.58 55.94 1wg1 n ASN 144 Cb 1.81 -0.84 0.77 0.00 -0.61 0.00 0.00 39.78 40.91 1wg1 n ASN 144 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wg1 n ALA 145 N -3.89 1.72 0.02 5.41 0.00 -0.51 -0.25 120.51 123.00 1wg1 n ALA 145 Ca -0.13 0.71 -0.01 0.00 0.00 0.00 0.00 53.44 54.01 1wg1 n ALA 145 Cb 0.40 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.20 0.00 2.04 -1.31 -0.94 117.51 117.10 1wg1 h ILE 146 Ca 0.91 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 66.64 1wg1 h ILE 146 Cb 3.45 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 1wg1 h ILE 146 CO -0.15 0.00 -0.42 1.56 0.00 0.00 0.00 178.15 179.14 1wg1 h GLN 147 N -0.07 0.48 -0.01 2.37 1.08 -1.34 1.11 115.11 118.74 1wg1 h GLN 147 Ca -0.00 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1wg1 h GLN 147 Cb 0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1wg1 h GLN 147 CO -0.00 0.82 0.05 0.52 -0.95 0.00 0.00 178.83 179.27 1wg1 h MET 148 N 0.40 0.00 0.00 1.46 2.86 -0.60 -2.19 114.93 116.86 1wg1 h MET 148 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1wg1 h MET 148 Cb 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1wg1 h MET 148 CO 0.08 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.24 1wg1 n PHE 149 N -3.12 0.00 -1.68 -0.22 3.01 -0.36 -4.99 117.46 110.09 1wg1 n PHE 149 Ca -0.03 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.00 1wg1 n PHE 149 Cb 0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.58 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 -0.43 2.13 -4.33 1.38 -0.00 0.38 -1.95 115.22 112.40 1wg1 n HIS 150 Ca 0.00 0.54 -0.34 0.00 0.46 0.00 0.00 57.72 58.38 1wg1 n HIS 150 Cb 0.03 -2.41 -0.08 0.00 -0.12 0.00 0.00 29.99 27.41 1wg1 n HIS 150 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wg1 n GLN 151 N 0.98 -1.31 -2.00 1.57 10.64 0.55 -4.90 117.38 122.91 1wg1 n GLN 151 Ca 0.07 0.16 -0.31 0.00 -1.83 0.00 0.00 57.00 55.09 1wg1 n GLN 151 Cb 0.34 -4.11 -0.00 0.00 -0.86 0.00 0.00 30.24 25.61 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 -3.95 3.59 -0.80 2.61 5.04 -0.82 -4.70 117.35 118.31 1wg1 s TYR 152 Ca 0.28 1.33 -0.26 0.00 -2.44 0.00 0.00 57.07 55.98 1wg1 s TYR 152 Cb -0.16 -2.74 0.02 0.00 0.35 0.00 0.00 41.96 39.44 1wg1 s TYR 152 CO 0.99 -0.61 1.42 0.45 -1.34 0.00 0.00 175.55 176.46 1wg1 s SER 153 N -3.91 6.08 -0.24 4.32 0.15 -1.26 -2.89 113.70 115.95 1wg1 s SER 153 Ca 0.56 -0.61 -0.00 0.00 0.70 0.00 0.00 55.95 56.60 1wg1 s SER 153 Cb -0.11 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.71 1wg1 s SER 153 CO 0.49 -1.87 -0.01 0.12 1.20 0.00 0.00 173.24 173.16 1wg1 s PHE 154 N 6.17 2.08 -1.16 3.44 5.36 -0.44 -4.77 117.98 128.66 1wg1 s PHE 154 Ca 0.43 -1.60 0.00 0.00 -0.96 0.00 0.00 56.93 54.80 1wg1 s PHE 154 Cb -0.07 -1.52 0.00 0.00 -0.34 0.00 0.00 43.02 41.09 1wg1 s PHE 154 CO 0.09 -0.75 0.00 0.54 -1.46 0.00 0.00 175.22 173.63 1wg1 n ARG 155 N 4.76 -2.04 0.00 10.12 1.74 -1.26 0.45 116.66 130.43 1wg1 n ARG 155 Ca -0.10 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 1wg1 n ARG 155 Cb 0.44 -5.21 0.00 0.00 -1.02 0.00 0.00 32.46 26.68 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 -0.73 3.25 3.80 -0.13 0.00 -1.26 -5.02 105.19 105.10 1wg1 n GLY 156 Ca -0.15 0.00 -0.39 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 -0.53 4.32 -1.23 1.61 -0.14 0.17 -5.00 119.74 118.94 1wg1 s LYS 157 Ca 0.00 0.88 -0.10 0.00 -1.36 0.00 0.00 55.97 55.39 1wg1 s LYS 157 Cb 0.00 -3.25 0.19 0.00 -1.68 0.00 0.00 37.83 33.10 1wg1 s LYS 157 CO 0.00 0.62 1.67 -0.25 -0.76 0.00 0.00 175.35 176.63 1wg1 n ASP 158 N 1.68 5.32 -3.74 2.83 9.92 -1.25 -1.33 116.55 129.97 1wg1 n ASP 158 Ca -0.09 -3.11 -0.42 0.00 -0.53 0.00 0.00 54.79 50.64 1wg1 n ASP 158 Cb 0.50 -1.47 -0.03 0.00 -0.64 0.00 0.00 41.12 39.48 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 3.94 -0.96 -4.36 0.64 4.77 -1.14 -4.13 117.00 115.75 1wg1 n LEU 159 Ca 0.36 0.96 -0.35 0.00 -0.03 0.00 0.00 56.01 56.95 1wg1 n LEU 159 Cb 0.38 -0.80 -0.13 0.00 -2.33 0.00 0.00 43.42 40.53 1wg1 n LEU 159 CO 0.74 -2.45 -0.36 -0.63 -1.33 0.00 0.00 177.39 173.36 1wg1 s ILE 160 N -0.77 3.66 -0.18 -0.08 -1.09 0.99 0.21 121.20 123.94 1wg1 s ILE 160 Ca 0.57 -0.40 -0.04 0.00 -2.23 0.00 0.00 60.65 58.55 1wg1 s ILE 160 Cb -0.82 -2.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 1wg1 s ILE 160 CO 0.48 0.41 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.87 1wg1 s VAL 161 N 1.38 3.70 0.15 2.92 1.01 -1.26 -0.38 120.40 127.92 1wg1 s VAL 161 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1wg1 s VAL 161 Cb -0.14 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1wg1 s VAL 161 CO -0.01 0.46 0.09 0.00 0.00 0.00 0.00 175.10 175.65 1wg1 s GLN 162 N 0.78 1.03 0.57 2.72 -2.07 -0.90 -4.74 119.66 117.04 1wg1 s GLN 162 Ca -0.01 -1.48 -0.14 0.00 -1.82 0.00 0.00 55.36 51.91 1wg1 s GLN 162 Cb -0.15 0.26 -0.06 0.00 -1.09 0.00 0.00 33.01 31.98 1wg1 s GLN 162 CO 0.02 -0.31 1.01 -0.51 -1.32 0.00 0.00 175.29 174.18 1wg1 s LEU 163 N -3.08 3.43 0.75 2.60 1.43 -1.26 -0.29 118.68 122.26 1wg1 s LEU 163 Ca 0.28 1.51 -0.14 0.00 -1.03 0.00 0.00 54.13 54.75 1wg1 s LEU 163 Cb 0.07 -4.49 0.05 0.00 0.03 0.00 0.00 46.19 41.85 1wg1 s LEU 163 CO 0.05 -0.75 1.20 -1.10 0.23 0.00 0.00 176.35 175.98 1wg1 s GLN 164 N -4.60 2.00 0.00 1.70 -0.21 -1.24 -4.67 119.66 112.64 1wg1 s GLN 164 Ca 0.57 1.75 0.14 0.00 0.02 0.00 0.00 55.36 57.84 1wg1 s GLN 164 Cb -0.11 -1.82 0.63 0.00 1.00 0.00 0.00 33.01 32.72 1wg1 s GLN 164 CO 0.42 -1.94 1.44 -0.35 -2.12 0.00 0.00 175.29 172.75 1wg1 n PRO 165 N -2.90 0.05 -1.13 2.91 -0.04 -1.26 -4.86 135.00 127.78 1wg1 n PRO 165 Ca 0.13 0.23 -0.47 0.00 -0.04 0.00 0.00 63.50 63.35 1wg1 n PRO 165 Cb 0.50 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.45 0.00 -4.46 0.52 -1.04 -1.26 -4.90 114.28 101.69 1wg1 n THR 166 Ca 0.04 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.72 1wg1 n THR 166 Cb 0.15 -0.36 -0.16 0.00 -1.82 0.00 0.00 70.33 68.14 1wg1 n THR 166 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1wg1 s ASP 167 N 3.07 3.43 -0.28 8.00 -1.08 -1.26 -5.09 116.67 123.45 1wg1 s ASP 167 Ca 0.81 -0.54 -0.09 0.00 -0.52 0.00 0.00 52.55 52.21 1wg1 s ASP 167 Cb -1.09 -1.52 0.13 0.00 -1.46 0.00 0.00 42.92 38.98 1wg1 s ASP 167 CO 0.55 0.06 0.60 0.00 0.52 0.00 0.00 175.17 176.90 1wg1 s ALA 168 N 0.95 -1.90 -0.03 3.66 0.00 -1.26 -5.15 121.76 118.03 1wg1 s ALA 168 Ca -0.03 2.15 -0.00 0.00 0.00 0.00 0.00 51.96 54.07 1wg1 s ALA 168 Cb -0.15 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.27 1wg1 s ALA 168 CO -0.03 -0.93 0.05 -0.51 0.00 0.00 0.00 175.76 174.33 1wg1 s LEU 169 N 2.84 0.96 -0.40 0.00 1.43 -1.26 -5.12 118.68 117.13 1wg1 s LEU 169 Ca -0.03 0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 1wg1 s LEU 169 Cb -0.12 -0.03 0.07 0.00 0.03 0.00 0.00 46.19 46.14 1wg1 s LEU 169 CO -0.18 -0.14 0.23 -0.22 0.23 0.00 0.00 176.35 176.27 1wg1 s LEU 170 N 1.17 5.00 0.08 1.79 2.96 -1.26 -4.88 118.68 123.55 1wg1 s LEU 170 Ca -0.08 -1.40 0.00 0.00 -0.22 0.00 0.00 54.13 52.43 1wg1 s LEU 170 Cb -0.13 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.59 1wg1 s LEU 170 CO -0.03 -0.49 0.00 0.00 -1.32 0.00 0.00 176.35 174.50 1wg1 s SER 172 N -5.69 2.83 0.00 0.00 0.01 -1.26 -5.10 113.70 104.49 1wg1 s SER 172 Ca 0.00 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.72 1wg1 s SER 172 Cb 0.00 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.94 1wg1 s SER 172 CO 0.00 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1wg1 n GLY 173 N 4.29 -1.22 0.19 3.44 0.00 -1.26 -5.01 105.19 105.63 1wg1 n GLY 173 Ca -0.19 -0.91 0.05 0.00 0.00 0.00 0.00 46.02 44.97 1wg1 n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg1 h PRO 174 N 0.00 0.00 -6.01 1.61 0.13 -2.05 -3.45 132.00 122.23 1wg1 h PRO 174 Ca 0.00 0.00 -0.84 0.00 -0.87 0.00 0.00 66.00 64.29 1wg1 h PRO 174 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wg1 h PRO 174 CO 0.00 0.37 0.90 0.43 -0.23 0.00 0.00 178.00 179.46 1wg1 n SER 175 N -3.74 1.16 -3.60 1.44 7.64 -1.26 -4.87 113.62 110.39 1wg1 n SER 175 Ca -0.01 1.02 -0.04 0.00 1.01 0.00 0.00 58.87 60.85 1wg1 n SER 175 Cb 0.45 -0.91 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 1wg1 n SER 175 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg1 s SER 176 N 3.98 -0.20 0.00 6.43 0.01 -1.26 -5.12 113.70 117.54 1wg1 s SER 176 Ca 1.09 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1wg1 s SER 176 Cb -1.46 0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.05 1wg1 s SER 176 CO 0.76 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 174.52