#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 0.56 -4.77 1.61 2.88 -1.26 -5.06 113.62 107.59 1wg1 n SER 91 Ca 0.00 0.07 -0.36 0.00 -1.33 0.00 0.00 58.87 57.25 1wg1 n SER 91 Cb 0.00 -0.17 0.01 0.00 -0.75 0.00 0.00 64.21 63.30 1wg1 n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg1 s SER 92 N -5.50 5.71 0.29 -3.46 0.01 -1.26 -5.05 113.70 104.43 1wg1 s SER 92 Ca -0.00 2.31 0.01 0.00 1.31 0.00 0.00 55.95 59.58 1wg1 s SER 92 Cb 0.00 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 1wg1 s SER 92 CO 0.00 -1.24 0.03 0.61 0.41 0.00 0.00 173.24 173.05 1wg1 n GLY 93 N 0.37 3.74 3.58 3.44 0.00 -1.26 -5.04 105.19 110.02 1wg1 n GLY 93 Ca 0.11 -2.22 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 1wg1 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg1 s SER 94 N -2.62 6.04 -1.18 1.61 0.01 -1.26 -4.61 113.70 111.68 1wg1 s SER 94 Ca 0.04 -1.98 -0.16 0.00 1.31 0.00 0.00 55.95 55.16 1wg1 s SER 94 Cb 0.00 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.78 1wg1 s SER 94 CO 0.03 -2.01 1.46 -0.44 0.41 0.00 0.00 173.24 172.70 1wg1 s SER 95 N 5.35 6.92 0.00 2.44 0.01 -1.26 -4.30 113.70 122.86 1wg1 s SER 95 Ca 0.60 -2.64 0.00 0.00 1.31 0.00 0.00 55.95 55.22 1wg1 s SER 95 Cb 0.01 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1wg1 s SER 95 CO 0.08 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1wg1 n GLY 96 N 4.78 2.01 3.07 3.44 0.00 -1.26 -3.77 105.19 113.45 1wg1 n GLY 96 Ca 0.38 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 0.19 -0.18 -0.61 -4.36 -0.56 -3.41 121.20 110.28 1wg1 s ILE 97 Ca 0.00 -1.54 -0.04 0.00 -0.26 0.00 0.00 60.65 58.81 1wg1 s ILE 97 Cb 0.00 -1.20 -0.03 0.00 1.25 0.00 0.00 42.46 42.49 1wg1 s ILE 97 CO 0.00 -0.85 -0.02 -0.76 0.24 0.00 0.00 174.94 173.55 1wg1 s LEU 98 N -2.55 3.28 -0.66 0.37 1.43 0.21 -2.10 118.68 118.66 1wg1 s LEU 98 Ca 0.01 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 1wg1 s LEU 98 Cb 0.03 -1.81 0.14 0.00 0.03 0.00 0.00 46.19 44.58 1wg1 s LEU 98 CO -0.08 0.12 0.70 -0.69 0.23 0.00 0.00 176.35 176.63 1wg1 s VAL 99 N 0.67 5.09 0.42 -1.59 1.01 -0.31 -1.95 120.40 123.74 1wg1 s VAL 99 Ca -0.01 -1.50 0.08 0.00 0.00 0.00 0.00 61.98 60.55 1wg1 s VAL 99 Cb -0.14 -4.47 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 1wg1 s VAL 99 CO 0.02 -1.07 0.45 -0.54 0.00 0.00 0.00 175.10 173.96 1wg1 s LYS 100 N 1.85 2.64 -1.14 2.72 1.02 0.11 -1.35 119.74 125.59 1wg1 s LYS 100 Ca 0.12 -1.43 -0.02 0.00 0.02 0.00 0.00 55.97 54.66 1wg1 s LYS 100 Cb -0.21 -2.51 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1wg1 s LYS 100 CO 0.01 -0.22 0.96 -1.71 -0.92 0.00 0.00 175.35 173.46 1wg1 n ASN 101 N -1.66 -3.30 -4.89 2.83 5.15 -1.25 -1.82 115.26 110.32 1wg1 n ASN 101 Ca 0.05 -0.63 -0.30 0.00 -0.60 0.00 0.00 54.58 53.10 1wg1 n ASN 101 Cb 0.61 -5.07 -0.04 0.00 -0.53 0.00 0.00 39.78 34.74 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 -6.02 4.10 0.00 1.20 1.43 -1.25 -4.39 118.68 113.75 1wg1 s LEU 102 Ca 0.13 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1wg1 s LEU 102 Cb -0.02 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1wg1 s LEU 102 CO 0.72 -0.15 0.00 -0.81 0.23 0.00 0.00 176.35 176.34 1wg1 n PRO 103 N -0.64 -0.63 0.02 1.29 -0.04 -1.26 -4.96 135.00 128.79 1wg1 n PRO 103 Ca -0.01 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1wg1 n PRO 103 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.56 0.54 3.07 -1.99 -3.32 115.11 112.85 1wg1 h GLN 104 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.58 1wg1 h GLN 104 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 27.46 1wg1 h GLN 104 CO 0.00 0.58 0.15 -3.47 0.09 0.00 0.00 178.83 176.18 1wg1 n ASP 105 N -3.10 4.21 -4.77 0.06 2.03 -1.26 -5.01 116.55 108.71 1wg1 n ASP 105 Ca -0.10 -3.27 -0.41 0.00 0.52 0.00 0.00 54.79 51.53 1wg1 n ASP 105 Cb 0.95 -0.68 -0.02 0.00 -0.72 0.00 0.00 41.12 40.66 1wg1 n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1wg1 s SER 106 N -1.51 6.68 0.20 1.67 0.15 -1.25 -5.02 113.70 114.62 1wg1 s SER 106 Ca 0.50 2.75 -0.14 0.00 0.70 0.00 0.00 55.95 59.76 1wg1 s SER 106 Cb 0.41 -2.65 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1wg1 s SER 106 CO 0.10 -0.61 0.46 0.20 1.20 0.00 0.00 173.24 174.60 1wg1 s ASN 107 N -0.44 -0.15 0.05 5.45 0.01 -1.26 -4.98 114.94 113.62 1wg1 s ASN 107 Ca 0.50 -0.69 -0.26 0.00 -0.71 0.00 0.00 52.86 51.70 1wg1 s ASN 107 Cb -0.41 0.55 -0.17 0.00 0.41 0.00 0.00 41.25 41.64 1wg1 s ASN 107 CO 0.54 -1.05 1.51 0.00 -1.51 0.00 0.00 177.10 176.60 1wg1 h GLN 109 N -0.44 0.02 0.13 0.00 4.20 -1.99 0.84 115.11 117.86 1wg1 h GLN 109 Ca -0.03 -0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.51 1wg1 h GLN 109 Cb 0.34 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.13 1wg1 h GLN 109 CO 0.05 0.02 -0.75 0.93 -0.67 0.00 0.00 178.83 178.40 1wg1 h GLU 110 N 0.02 0.28 0.17 1.46 4.39 -1.90 -3.24 114.58 115.77 1wg1 h GLU 110 Ca 0.87 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1wg1 h GLU 110 Cb 3.13 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 31.96 1wg1 h GLU 110 CO -0.25 1.22 -0.08 0.28 -1.16 0.00 0.00 179.01 179.02 1wg1 h VAL 111 N -0.40 0.89 -0.47 3.13 2.07 0.89 -1.70 116.25 120.66 1wg1 h VAL 111 Ca -0.13 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.20 1wg1 h VAL 111 Cb 1.59 1.06 -0.10 0.00 -1.52 0.00 0.00 31.29 32.31 1wg1 h VAL 111 CO 0.14 0.06 -0.40 -0.74 0.02 0.00 0.00 177.57 176.66 1wg1 h HIS 112 N -0.36 -1.15 -0.99 1.57 -0.00 -0.69 0.11 115.15 113.64 1wg1 h HIS 112 Ca -0.02 0.07 0.04 0.00 -0.00 0.00 0.00 60.37 60.46 1wg1 h HIS 112 Cb 0.28 0.57 -0.06 0.00 -0.00 0.00 0.00 27.41 28.20 1wg1 h HIS 112 CO -0.03 -0.42 0.65 0.38 -0.00 0.00 0.00 177.93 178.51 1wg1 h ASP 113 N -0.27 1.07 -0.07 3.26 3.04 -1.57 -2.60 116.42 119.29 1wg1 h ASP 113 Ca 0.17 -0.01 0.03 0.00 -3.24 0.00 0.00 57.03 53.97 1wg1 h ASP 113 Cb 0.57 -0.24 -0.03 0.00 -1.04 0.00 0.00 39.33 38.58 1wg1 h ASP 113 CO -0.61 0.73 -0.09 0.25 -2.04 0.00 0.00 179.24 177.48 1wg1 h LEU 114 N 1.24 -0.29 -3.94 0.15 5.85 0.10 -2.31 115.31 116.12 1wg1 h LEU 114 Ca 0.39 0.05 -0.44 0.00 0.84 0.00 0.00 57.88 58.73 1wg1 h LEU 114 Cb 0.01 0.14 -0.18 0.00 0.37 0.00 0.00 40.66 41.01 1wg1 h LEU 114 CO -0.12 -0.13 0.49 0.18 -0.34 0.00 0.00 178.44 178.52 1wg1 n LEU 115 N -5.23 6.68 -0.22 2.25 4.77 -0.23 -4.54 117.00 120.47 1wg1 n LEU 115 Ca -0.04 -3.73 -0.08 0.00 -0.03 0.00 0.00 56.01 52.12 1wg1 n LEU 115 Cb 0.15 -1.10 0.03 0.00 -2.33 0.00 0.00 43.42 40.17 1wg1 n LEU 115 CO 0.26 1.44 0.94 0.07 -1.33 0.00 0.00 177.39 178.77 1wg1 h LYS 116 N 2.09 0.97 -0.89 3.23 2.10 -1.21 -2.83 116.57 120.03 1wg1 h LYS 116 Ca 0.38 -0.22 0.19 0.00 -2.00 0.00 0.00 60.65 59.00 1wg1 h LYS 116 Cb 0.80 -0.14 -0.11 0.00 -0.90 0.00 0.00 32.23 31.89 1wg1 h LYS 116 CO 0.93 0.87 0.44 -0.44 -2.00 0.00 0.00 179.45 179.25 1wg1 h ASP 117 N 0.89 0.46 -2.73 7.07 3.32 -1.85 -3.41 116.42 120.17 1wg1 h ASP 117 Ca 0.20 0.13 -0.46 0.00 0.02 0.00 0.00 57.03 56.91 1wg1 h ASP 117 Cb 0.32 0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.96 1wg1 h ASP 117 CO -0.00 0.11 -0.12 -0.31 -1.72 0.00 0.00 179.24 177.20 1wg1 s TYR 118 N -5.91 3.27 -0.39 4.55 2.02 -1.07 -5.06 117.35 114.76 1wg1 s TYR 118 Ca -0.12 0.25 -0.17 0.00 -0.37 0.00 0.00 57.07 56.66 1wg1 s TYR 118 Cb 0.24 -2.22 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 1wg1 s TYR 118 CO 0.78 -0.26 0.44 -0.51 -1.57 0.00 0.00 175.55 174.44 1wg1 s ASP 119 N -4.18 6.22 0.12 2.29 1.01 -1.26 -4.95 116.67 115.91 1wg1 s ASP 119 Ca 0.47 -0.45 -0.23 0.00 0.71 0.00 0.00 52.55 53.04 1wg1 s ASP 119 Cb -0.10 -2.23 -0.07 0.00 1.01 0.00 0.00 42.92 41.53 1wg1 s ASP 119 CO 0.37 -0.52 0.70 -0.76 0.21 0.00 0.00 175.17 175.17 1wg1 s LEU 120 N 2.19 4.55 -0.18 1.23 1.02 -1.26 -2.05 118.68 124.19 1wg1 s LEU 120 Ca 0.14 1.48 0.04 0.00 0.02 0.00 0.00 54.13 55.80 1wg1 s LEU 120 Cb -0.16 -3.14 -0.13 0.00 0.02 0.00 0.00 46.19 42.77 1wg1 s LEU 120 CO 0.13 0.21 -0.12 0.29 0.02 0.00 0.00 176.35 176.88 1wg1 n LYS 121 N 1.79 0.70 -3.65 1.70 4.76 0.58 -4.99 118.16 119.05 1wg1 n LYS 121 Ca -0.07 0.09 -0.15 0.00 -2.87 0.00 0.00 58.31 55.30 1wg1 n LYS 121 Cb 0.50 -1.38 -0.07 0.00 -1.84 0.00 0.00 35.03 32.24 1wg1 n LYS 121 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1wg1 s TYR 122 N -2.37 -0.40 -0.03 2.13 6.14 -1.25 -4.99 117.35 116.58 1wg1 s TYR 122 Ca -0.22 0.65 -0.00 0.00 0.64 0.00 0.00 57.07 58.14 1wg1 s TYR 122 Cb 0.06 0.24 0.03 0.00 0.42 0.00 0.00 41.96 42.71 1wg1 s TYR 122 CO 0.47 -0.50 0.05 0.00 0.64 0.00 0.00 175.55 176.21 1wg1 s TYR 124 N 1.16 1.85 -0.05 0.00 6.14 -0.77 -4.97 117.35 120.72 1wg1 s TYR 124 Ca -0.08 -1.88 -0.27 0.00 0.64 0.00 0.00 57.07 55.48 1wg1 s TYR 124 Cb -0.13 -1.80 -0.03 0.00 0.42 0.00 0.00 41.96 40.42 1wg1 s TYR 124 CO -0.03 -0.87 0.85 0.08 0.64 0.00 0.00 175.55 176.21 1wg1 s VAL 125 N 1.45 4.94 -0.54 3.14 1.01 -1.26 -1.60 120.40 127.55 1wg1 s VAL 125 Ca 0.11 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.88 1wg1 s VAL 125 Cb -0.18 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.15 1wg1 s VAL 125 CO -0.22 0.18 0.29 -0.62 0.00 0.00 0.00 175.10 174.73 1wg1 s ASP 126 N 0.93 4.38 0.16 3.32 2.15 0.22 -4.96 116.67 122.88 1wg1 s ASP 126 Ca 0.44 -3.11 -0.16 0.00 0.43 0.00 0.00 52.55 50.16 1wg1 s ASP 126 Cb -0.19 -1.64 0.10 0.00 -0.30 0.00 0.00 42.92 40.89 1wg1 s ASP 126 CO 0.22 -0.22 1.71 0.03 -0.17 0.00 0.00 175.17 176.74 1wg1 h ARG 127 N 6.38 0.15 -0.87 4.34 3.08 -1.94 1.83 114.38 127.35 1wg1 h ARG 127 Ca -0.06 -0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.21 1wg1 h ARG 127 Cb 0.88 -0.03 -0.15 0.00 0.08 0.00 0.00 29.97 30.74 1wg1 h ARG 127 CO 0.69 0.10 0.12 -0.97 -1.07 0.00 0.00 179.97 178.84 1wg1 h ASN 128 N 0.15 -0.21 -0.36 7.04 -0.00 -1.96 0.29 115.58 120.54 1wg1 h ASN 128 Ca 0.19 0.22 0.00 0.00 -0.00 0.00 0.00 56.30 56.70 1wg1 h ASN 128 Cb 0.24 0.34 0.00 0.00 -0.00 0.00 0.00 38.32 38.90 1wg1 h ASN 128 CO -0.28 -0.21 0.00 0.29 -0.00 0.00 0.00 177.43 177.23 1wg1 n LYS 129 N -5.32 3.00 -4.13 6.67 5.02 -0.73 -4.98 118.16 117.69 1wg1 n LYS 129 Ca 0.20 -2.45 -0.34 0.00 -2.02 0.00 0.00 58.31 53.70 1wg1 n LYS 129 Cb 0.64 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 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 0.23 -0.70 -3.92 1.97 1.74 0.61 -4.91 116.66 111.68 1wg1 n ARG 130 Ca 0.17 0.05 -0.16 0.00 -0.77 0.00 0.00 57.85 57.14 1wg1 n ARG 130 Cb 0.65 -2.85 -0.16 0.00 -1.02 0.00 0.00 32.46 29.08 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 -4.05 0.15 -0.23 0.55 2.01 -0.18 -3.75 115.64 110.15 1wg1 s THR 131 Ca 0.17 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1wg1 s THR 131 Cb -0.09 -0.24 0.04 0.00 0.01 0.00 0.00 72.50 72.22 1wg1 s THR 131 CO 0.90 0.13 -0.15 0.00 -0.69 0.00 0.00 174.62 174.82 1wg1 s ALA 132 N 0.90 2.46 -0.29 7.40 0.00 -0.46 0.72 121.76 132.49 1wg1 s ALA 132 Ca -0.09 -1.53 -0.25 0.00 0.00 0.00 0.00 51.96 50.09 1wg1 s ALA 132 Cb -0.12 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1wg1 s ALA 132 CO -0.02 -0.84 0.87 -0.06 0.00 0.00 0.00 175.76 175.70 1wg1 s PHE 133 N 1.18 3.22 -0.08 0.00 0.08 -0.62 -1.16 117.98 120.60 1wg1 s PHE 133 Ca -0.03 0.99 0.01 0.00 0.12 0.00 0.00 56.93 58.02 1wg1 s PHE 133 Cb -0.17 -3.28 -0.02 0.00 -0.57 0.00 0.00 43.02 38.98 1wg1 s PHE 133 CO -0.08 -0.57 -0.12 0.08 -0.10 0.00 0.00 175.22 174.43 1wg1 s VAL 134 N 3.08 3.22 -0.45 -0.44 1.01 -0.89 -1.85 120.40 124.08 1wg1 s VAL 134 Ca 0.36 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1wg1 s VAL 134 Cb -0.14 -2.31 0.12 0.00 0.00 0.00 0.00 36.38 34.05 1wg1 s VAL 134 CO 0.12 0.56 0.28 -0.89 0.00 0.00 0.00 175.10 175.17 1wg1 s THR 135 N -0.33 3.70 0.99 3.92 2.01 -0.81 -1.49 115.64 123.62 1wg1 s THR 135 Ca 0.03 -2.01 -0.17 0.00 0.31 0.00 0.00 61.69 59.86 1wg1 s THR 135 Cb -0.13 -3.48 0.24 0.00 0.01 0.00 0.00 72.50 69.14 1wg1 s THR 135 CO 0.02 -0.74 0.93 0.18 -0.69 0.00 0.00 174.62 174.33 1wg1 n LEU 136 N 4.65 0.00 0.01 4.42 4.77 -1.25 -0.30 117.00 129.30 1wg1 n LEU 136 Ca -0.04 -1.00 -0.01 0.00 -0.03 0.00 0.00 56.01 54.93 1wg1 n LEU 136 Cb 0.41 -0.83 -0.01 0.00 -2.33 0.00 0.00 43.42 40.66 1wg1 n LEU 136 CO 0.37 -1.86 0.06 0.25 -1.33 0.00 0.00 177.39 174.88 1wg1 h LEU 137 N 0.00 -0.08 -9.66 2.23 5.85 -1.73 -3.43 115.31 108.49 1wg1 h LEU 137 Ca -0.34 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 57.80 1wg1 h LEU 137 Cb 1.03 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.98 1wg1 h LEU 137 CO 0.23 0.21 -0.60 0.20 -0.34 0.00 0.00 178.44 178.14 1wg1 s ASN 138 N -4.37 4.24 -0.02 1.25 0.01 -1.26 -4.86 114.94 109.92 1wg1 s ASN 138 Ca -0.01 -0.99 -0.26 0.00 -0.71 0.00 0.00 52.86 50.89 1wg1 s ASN 138 Cb 0.00 -0.54 -0.20 0.00 0.41 0.00 0.00 41.25 40.92 1wg1 s ASN 138 CO 0.04 -0.28 1.24 1.23 -1.51 0.00 0.00 177.10 177.82 1wg1 h GLY 139 N 1.74 -0.03 -0.64 0.66 0.00 -1.82 -3.22 103.07 99.76 1wg1 h GLY 139 Ca -0.43 0.01 0.26 0.00 0.00 0.00 0.00 47.33 47.17 1wg1 h GLY 139 CO 0.67 -0.01 0.20 -2.09 0.00 0.00 0.00 176.54 175.32 1wg1 h GLU 140 N -0.53 0.13 -0.53 4.80 4.81 -1.96 0.37 114.58 121.67 1wg1 h GLU 140 Ca -0.00 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1wg1 h GLU 140 Cb 0.50 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 1wg1 h GLU 140 CO 0.00 0.08 0.13 1.96 -0.73 0.00 0.00 179.01 180.46 1wg1 h GLN 141 N 0.13 0.27 0.68 1.92 4.20 -1.95 -2.80 115.11 117.56 1wg1 h GLN 141 Ca 0.59 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.25 1wg1 h GLN 141 Cb 1.24 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.97 1wg1 h GLN 141 CO -0.74 0.18 -0.33 0.00 -0.67 0.00 0.00 178.83 177.27 1wg1 h ALA 142 N 1.41 -0.92 -1.34 3.87 0.00 -0.35 0.20 119.26 122.12 1wg1 h ALA 142 Ca 0.27 -0.22 0.41 0.00 0.00 0.00 0.00 54.91 55.38 1wg1 h ALA 142 Cb 0.36 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1wg1 h ALA 142 CO -0.33 -0.94 0.94 1.04 0.00 0.00 0.00 179.25 179.95 1wg1 n GLN 143 N -5.43 -0.01 -0.09 0.00 1.13 -0.72 -0.27 117.38 111.98 1wg1 n GLN 143 Ca -0.13 0.88 -0.13 0.00 -1.94 0.00 0.00 57.00 55.68 1wg1 n GLN 143 Cb 0.38 -1.90 -0.05 0.00 0.11 0.00 0.00 30.24 28.78 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 -3.75 1.89 -0.45 1.08 3.02 -1.06 -4.37 115.26 111.63 1wg1 n ASN 144 Ca 0.33 0.44 0.37 0.00 -0.03 0.00 0.00 54.58 55.69 1wg1 n ASN 144 Cb 1.42 -0.82 0.66 0.00 -0.61 0.00 0.00 39.78 40.42 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 -0.93 2.83 0.07 5.41 0.00 0.17 0.21 119.26 127.01 1wg1 h ALA 145 Ca -0.17 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wg1 h ALA 145 Cb 1.00 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1wg1 h ALA 145 CO -0.10 -1.41 -0.10 0.82 0.00 0.00 0.00 179.25 178.46 1wg1 h ILE 146 N 0.10 0.00 -0.50 0.00 2.04 -0.84 0.15 117.51 118.47 1wg1 h ILE 146 Ca 0.79 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.56 1wg1 h ILE 146 Cb 2.57 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 1wg1 h ILE 146 CO -0.34 0.00 -0.06 1.56 0.00 0.00 0.00 178.15 179.32 1wg1 h GLN 147 N -0.17 0.91 -0.30 2.37 1.08 -1.47 1.86 115.11 119.40 1wg1 h GLN 147 Ca -0.01 -0.32 0.09 0.00 -1.45 0.00 0.00 58.65 56.96 1wg1 h GLN 147 Cb 0.16 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1wg1 h GLN 147 CO -0.03 0.97 0.29 0.52 -0.95 0.00 0.00 178.83 179.63 1wg1 h MET 148 N 0.77 0.00 0.00 1.46 2.86 -0.59 -1.46 114.93 117.98 1wg1 h MET 148 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1wg1 h MET 148 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1wg1 h MET 148 CO 0.04 0.00 -0.34 1.19 1.06 0.00 0.00 176.91 178.86 1wg1 n PHE 149 N -3.93 0.00 -1.64 -0.22 3.01 0.51 -4.94 117.46 110.26 1wg1 n PHE 149 Ca 0.04 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.07 1wg1 n PHE 149 Cb 0.44 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.89 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 -1.18 1.74 -2.84 1.38 -0.00 0.63 -0.92 115.22 114.02 1wg1 n HIS 150 Ca 0.01 0.63 -0.12 0.00 -0.00 0.00 0.00 57.72 58.23 1wg1 n HIS 150 Cb 0.09 -2.33 -0.01 0.00 -0.00 0.00 0.00 29.99 27.74 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 0.71 -2.66 -1.04 1.57 10.64 0.35 -4.88 117.38 122.07 1wg1 n GLN 151 Ca 0.08 0.30 -0.31 0.00 -1.83 0.00 0.00 57.00 55.24 1wg1 n GLN 151 Cb 0.34 -4.88 0.12 0.00 -0.86 0.00 0.00 30.24 24.95 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 -2.50 2.21 -0.47 2.61 5.04 -0.10 -4.56 117.35 119.58 1wg1 s TYR 152 Ca 0.16 1.65 -0.29 0.00 -2.44 0.00 0.00 57.07 56.15 1wg1 s TYR 152 Cb -0.09 -3.16 0.03 0.00 0.35 0.00 0.00 41.96 39.09 1wg1 s TYR 152 CO 0.19 -2.19 1.11 0.45 -1.34 0.00 0.00 175.55 173.78 1wg1 s SER 153 N -3.12 6.63 -0.25 4.32 0.15 -1.26 -2.69 113.70 117.49 1wg1 s SER 153 Ca 0.63 0.46 -0.03 0.00 0.70 0.00 0.00 55.95 57.72 1wg1 s SER 153 Cb -0.19 -2.54 0.13 0.00 -1.71 0.00 0.00 66.02 61.72 1wg1 s SER 153 CO 0.57 -1.21 0.38 0.12 1.20 0.00 0.00 173.24 174.30 1wg1 s PHE 154 N 4.32 -0.84 -1.36 3.44 5.36 -1.04 -4.91 117.98 122.95 1wg1 s PHE 154 Ca 0.46 0.84 -0.08 0.00 -0.96 0.00 0.00 56.93 57.19 1wg1 s PHE 154 Cb -0.08 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.65 1wg1 s PHE 154 CO 0.30 -0.73 1.10 0.54 -1.46 0.00 0.00 175.22 174.97 1wg1 n ARG 155 N 5.37 -7.17 -1.31 10.12 5.12 -1.26 -1.04 116.66 126.48 1wg1 n ARG 155 Ca -0.04 0.78 -0.11 0.00 -1.93 0.00 0.00 57.85 56.56 1wg1 n ARG 155 Cb 0.50 -5.78 -0.05 0.00 -1.16 0.00 0.00 32.46 25.98 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 -1.79 1.05 3.73 -0.13 0.00 -1.26 -4.96 105.19 101.84 1wg1 n GLY 156 Ca -0.05 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.81 2.18 -0.75 1.61 -0.14 -0.21 -5.09 119.74 114.53 1wg1 s LYS 157 Ca 0.00 -1.94 0.01 0.00 -1.36 0.00 0.00 55.97 52.68 1wg1 s LYS 157 Cb 0.00 -1.90 0.18 0.00 -1.68 0.00 0.00 37.83 34.43 1wg1 s LYS 157 CO 0.00 -0.16 0.57 -0.51 -0.76 0.00 0.00 175.35 174.50 1wg1 s ASP 158 N -3.90 5.33 -0.32 2.83 1.01 -1.26 -2.51 116.67 117.85 1wg1 s ASP 158 Ca 0.37 -3.51 -0.39 0.00 0.71 0.00 0.00 52.55 49.73 1wg1 s ASP 158 Cb 0.04 -1.79 -0.15 0.00 1.01 0.00 0.00 42.92 42.03 1wg1 s ASP 158 CO 0.20 -0.20 1.90 0.18 0.21 0.00 0.00 175.17 177.47 1wg1 n LEU 159 N 2.55 2.15 -4.58 1.23 4.77 -1.10 -4.31 117.00 117.71 1wg1 n LEU 159 Ca 0.16 0.87 -0.41 0.00 -0.03 0.00 0.00 56.01 56.60 1wg1 n LEU 159 Cb 0.36 -1.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.23 1wg1 n LEU 159 CO 0.33 -0.54 0.20 -0.63 -1.33 0.00 0.00 177.39 175.42 1wg1 s ILE 160 N 4.78 5.06 -0.15 -0.08 1.01 -0.75 0.13 121.20 131.20 1wg1 s ILE 160 Ca 1.04 0.52 -0.05 0.00 0.00 0.00 0.00 60.65 62.16 1wg1 s ILE 160 Cb -1.06 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 37.49 1wg1 s ILE 160 CO 0.62 -0.07 0.00 -0.69 0.00 0.00 0.00 174.94 174.80 1wg1 s VAL 161 N 2.31 4.28 0.36 2.92 1.01 -1.26 -0.71 120.40 129.31 1wg1 s VAL 161 Ca 0.19 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1wg1 s VAL 161 Cb -0.16 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1wg1 s VAL 161 CO 0.12 0.50 0.14 -1.10 0.00 0.00 0.00 175.10 174.76 1wg1 s GLN 162 N 0.17 1.77 0.67 2.72 -0.21 -0.82 -4.79 119.66 119.17 1wg1 s GLN 162 Ca 0.01 -2.05 -0.09 0.00 0.02 0.00 0.00 55.36 53.26 1wg1 s GLN 162 Cb -0.13 -0.40 0.02 0.00 1.00 0.00 0.00 33.01 33.51 1wg1 s GLN 162 CO 0.02 -0.45 1.02 -0.51 -2.12 0.00 0.00 175.29 173.24 1wg1 s LEU 163 N -3.50 2.98 0.53 2.90 1.43 -1.26 -0.62 118.68 121.14 1wg1 s LEU 163 Ca 0.30 0.84 -0.09 0.00 -1.03 0.00 0.00 54.13 54.16 1wg1 s LEU 163 Cb 0.04 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1wg1 s LEU 163 CO 0.17 -1.32 0.89 -1.10 0.23 0.00 0.00 176.35 175.22 1wg1 s GLN 164 N -5.22 3.61 0.44 1.70 -0.21 -1.22 -4.41 119.66 114.35 1wg1 s GLN 164 Ca 0.57 0.48 0.22 0.00 0.02 0.00 0.00 55.36 56.65 1wg1 s GLN 164 Cb -0.11 -2.25 0.97 0.00 1.00 0.00 0.00 33.01 32.62 1wg1 s GLN 164 CO 0.48 -0.33 1.86 -1.00 -2.12 0.00 0.00 175.29 174.17 1wg1 h PRO 165 N 0.15 0.00 -3.54 2.91 0.13 -1.97 -3.44 132.00 126.23 1wg1 h PRO 165 Ca -0.46 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.35 1wg1 h PRO 165 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1wg1 h PRO 165 CO 0.62 0.25 1.32 2.41 -0.23 0.00 0.00 178.00 182.37 1wg1 n THR 166 N -3.54 0.00 -4.38 1.56 -1.04 -1.26 -4.85 114.28 100.77 1wg1 n THR 166 Ca -0.01 -0.13 -0.20 0.00 -2.04 0.00 0.00 64.05 61.68 1wg1 n THR 166 Cb 0.40 -0.23 -0.10 0.00 -1.82 0.00 0.00 70.33 68.59 1wg1 n THR 166 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1wg1 s ASP 167 N 4.06 2.69 -0.47 8.00 1.47 -1.26 -4.96 116.67 126.19 1wg1 s ASP 167 Ca 0.95 -1.09 0.02 0.00 1.18 0.00 0.00 52.55 53.61 1wg1 s ASP 167 Cb -0.79 -0.15 0.55 0.00 -0.34 0.00 0.00 42.92 42.19 1wg1 s ASP 167 CO 0.37 -0.23 1.90 0.00 0.68 0.00 0.00 175.17 177.89 1wg1 n ALA 168 N -0.47 5.58 -4.00 2.11 0.00 -1.26 -4.89 120.51 117.57 1wg1 n ALA 168 Ca -0.07 -2.80 -0.27 0.00 0.00 0.00 0.00 53.44 50.30 1wg1 n ALA 168 Cb 0.62 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1wg1 n ALA 168 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wg1 n LEU 169 N -0.91 -2.01 -4.35 0.00 7.94 -1.26 -4.88 117.00 111.53 1wg1 n LEU 169 Ca 0.55 -1.06 -0.46 0.00 -1.11 0.00 0.00 56.01 53.94 1wg1 n LEU 169 Cb 1.28 -2.12 -0.01 0.00 0.53 0.00 0.00 43.42 43.11 1wg1 n LEU 169 CO 0.61 0.45 0.70 -1.48 -1.11 0.00 0.00 177.39 176.55 1wg1 s LEU 170 N -7.02 6.37 0.20 -1.96 2.34 -1.26 -4.89 118.68 112.46 1wg1 s LEU 170 Ca 0.03 -3.15 -0.10 0.00 0.06 0.00 0.00 54.13 50.96 1wg1 s LEU 170 Cb -0.01 -2.23 0.27 0.00 -0.56 0.00 0.00 46.19 43.66 1wg1 s LEU 170 CO 0.91 -0.46 1.72 0.00 -1.06 0.00 0.00 176.35 177.46 1wg1 s SER 172 N -5.34 0.93 -0.46 0.00 0.01 -1.26 -5.12 113.70 102.46 1wg1 s SER 172 Ca -0.13 -1.52 0.07 0.00 1.31 0.00 0.00 55.95 55.68 1wg1 s SER 172 Cb 0.17 0.55 0.27 0.00 0.21 0.00 0.00 66.02 67.22 1wg1 s SER 172 CO 0.74 -1.10 0.90 0.61 0.41 0.00 0.00 173.24 174.80 1wg1 n GLY 173 N -0.50 0.70 0.24 3.44 0.00 -1.26 -4.97 105.19 102.84 1wg1 n GLY 173 Ca 0.03 -0.18 0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 3.68 0.00 -5.57 1.61 0.13 -2.00 -3.41 132.00 126.44 1wg1 h PRO 174 Ca -0.10 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.40 1wg1 h PRO 174 Cb 1.03 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.10 1wg1 h PRO 174 CO 0.30 0.00 1.53 0.45 -0.23 0.00 0.00 178.00 180.05 1wg1 n SER 175 N -2.87 0.80 -4.19 1.44 2.88 -1.26 0.39 113.62 110.82 1wg1 n SER 175 Ca 0.01 0.38 -0.34 0.00 -1.33 0.00 0.00 58.87 57.59 1wg1 n SER 175 Cb 0.28 -0.99 -0.03 0.00 -0.75 0.00 0.00 64.21 62.72 1wg1 n SER 175 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wg1 n SER 176 N 9.43 -2.36 -0.61 -3.46 3.41 -1.26 -5.30 113.62 113.47 1wg1 n SER 176 Ca 0.57 -1.04 0.13 0.00 -0.26 0.00 0.00 58.87 58.28 1wg1 n SER 176 Cb 0.05 -2.69 0.41 0.00 -0.26 0.00 0.00 64.21 61.72 1wg1 n SER 176 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49