#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 -0.99 -0.08 1.61 2.88 -1.26 -4.98 113.62 110.80 1wg1 n SER 91 Ca 0.00 0.44 -0.08 0.00 -1.33 0.00 0.00 58.87 57.90 1wg1 n SER 91 Cb 0.00 -1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 62.13 1wg1 n SER 91 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg1 n SER 92 N -1.87 1.85 0.00 -3.46 7.64 -1.26 -4.95 113.62 111.56 1wg1 n SER 92 Ca 0.09 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1wg1 n SER 92 Cb 0.52 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1wg1 n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg1 n GLY 93 N 1.55 -1.87 3.45 0.23 0.00 -1.26 -5.06 105.19 102.23 1wg1 n GLY 93 Ca -0.13 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 1wg1 n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg1 s SER 94 N -1.70 -0.70 0.78 1.61 0.15 -1.26 -5.03 113.70 107.56 1wg1 s SER 94 Ca 0.00 1.25 -0.11 0.00 0.70 0.00 0.00 55.95 57.79 1wg1 s SER 94 Cb 0.00 1.58 0.06 0.00 -1.71 0.00 0.00 66.02 65.95 1wg1 s SER 94 CO 0.00 -0.22 1.08 -0.94 1.20 0.00 0.00 173.24 174.36 1wg1 s SER 95 N 2.36 4.55 0.00 5.45 1.04 -1.26 -4.79 113.70 121.05 1wg1 s SER 95 Ca -0.06 1.60 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1wg1 s SER 95 Cb -0.10 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1wg1 s SER 95 CO -0.16 -1.97 0.00 0.61 0.98 0.00 0.00 173.24 172.70 1wg1 n GLY 96 N -1.59 1.42 3.22 7.32 0.00 -1.26 -4.63 105.19 109.67 1wg1 n GLY 96 Ca 0.08 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 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 1.34 -0.09 -0.61 -4.36 -0.77 -1.48 121.20 115.24 1wg1 s ILE 97 Ca 0.00 -1.43 -0.02 0.00 -0.26 0.00 0.00 60.65 58.94 1wg1 s ILE 97 Cb 0.00 -1.28 -0.03 0.00 1.25 0.00 0.00 42.46 42.39 1wg1 s ILE 97 CO 0.00 -0.19 0.02 -0.76 0.24 0.00 0.00 174.94 174.25 1wg1 s LEU 98 N -1.86 3.67 -0.82 0.37 1.43 0.87 -2.09 118.68 120.24 1wg1 s LEU 98 Ca 0.02 0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1wg1 s LEU 98 Cb -0.10 -1.85 0.21 0.00 0.03 0.00 0.00 46.19 44.49 1wg1 s LEU 98 CO 0.03 0.38 0.71 -0.69 0.23 0.00 0.00 176.35 177.01 1wg1 s VAL 99 N -0.90 4.56 0.75 -1.59 1.01 0.29 -1.97 120.40 122.55 1wg1 s VAL 99 Ca 0.14 -3.30 -0.02 0.00 0.00 0.00 0.00 61.98 58.80 1wg1 s VAL 99 Cb -0.11 -3.85 0.14 0.00 0.00 0.00 0.00 36.38 32.56 1wg1 s VAL 99 CO 0.03 -1.02 1.04 -0.54 0.00 0.00 0.00 175.10 174.60 1wg1 s LYS 100 N -0.68 1.53 -1.20 2.72 1.02 -0.24 -1.19 119.74 121.71 1wg1 s LYS 100 Ca 0.23 -1.08 -0.04 0.00 0.02 0.00 0.00 55.97 55.10 1wg1 s LYS 100 Cb -0.12 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 1wg1 s LYS 100 CO -0.08 -1.58 1.02 -1.71 -0.92 0.00 0.00 175.35 172.08 1wg1 n ASN 101 N -2.94 -3.94 -4.87 2.83 5.15 -1.23 -1.64 115.26 108.61 1wg1 n ASN 101 Ca 0.15 -0.55 -0.31 0.00 -0.60 0.00 0.00 54.58 53.28 1wg1 n ASN 101 Cb 0.61 -4.81 -0.05 0.00 -0.53 0.00 0.00 39.78 35.00 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 -6.48 4.02 0.00 1.20 1.43 -1.24 -4.38 118.68 113.23 1wg1 s LEU 102 Ca 0.26 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1wg1 s LEU 102 Cb -0.11 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.25 1wg1 s LEU 102 CO 0.69 -0.23 0.00 -0.81 0.23 0.00 0.00 176.35 176.23 1wg1 n PRO 103 N -0.68 0.12 0.05 1.29 -0.04 -1.26 -4.94 135.00 129.54 1wg1 n PRO 103 Ca 0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 1wg1 n PRO 103 Cb 0.53 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.02 1wg1 n PRO 103 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wg1 n GLN 104 N -0.65 0.38 -1.17 0.54 1.13 -1.26 -4.11 117.38 112.23 1wg1 n GLN 104 Ca 0.00 0.02 -0.05 0.00 -1.94 0.00 0.00 57.00 55.03 1wg1 n GLN 104 Cb 0.00 -1.65 0.13 0.00 0.11 0.00 0.00 30.24 28.83 1wg1 n GLN 104 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1wg1 n ASP 105 N -2.15 2.87 -4.75 1.08 9.92 -1.26 -5.07 116.55 117.19 1wg1 n ASP 105 Ca 0.01 -3.78 -0.36 0.00 -0.53 0.00 0.00 54.79 50.13 1wg1 n ASP 105 Cb 0.47 -0.45 0.05 0.00 -0.64 0.00 0.00 41.12 40.54 1wg1 n ASP 105 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1wg1 s SER 106 N -3.35 4.99 0.12 -2.24 0.15 -1.26 -5.04 113.70 107.07 1wg1 s SER 106 Ca 0.43 2.43 -0.20 0.00 0.70 0.00 0.00 55.95 59.30 1wg1 s SER 106 Cb 0.38 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 62.15 1wg1 s SER 106 CO -0.03 -1.73 0.51 0.20 1.20 0.00 0.00 173.24 173.39 1wg1 s ASN 107 N -1.60 -0.42 -0.00 5.45 0.01 -1.26 -4.97 114.94 112.14 1wg1 s ASN 107 Ca 0.78 -0.06 -0.16 0.00 -0.71 0.00 0.00 52.86 52.71 1wg1 s ASN 107 Cb -0.32 0.53 -0.09 0.00 0.41 0.00 0.00 41.25 41.78 1wg1 s ASN 107 CO 0.35 -0.86 0.86 0.00 -1.51 0.00 0.00 177.10 175.95 1wg1 n GLN 109 N -4.32 -0.03 0.24 0.00 7.27 -1.26 0.10 117.38 119.38 1wg1 n GLN 109 Ca -0.07 0.91 -0.13 0.00 0.07 0.00 0.00 57.00 57.78 1wg1 n GLN 109 Cb 0.23 -1.79 -0.07 0.00 2.41 0.00 0.00 30.24 31.02 1wg1 n GLN 109 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1wg1 h GLU 110 N 0.00 -0.61 0.27 3.69 4.22 -1.97 -3.16 114.58 117.01 1wg1 h GLU 110 Ca 0.64 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 60.11 1wg1 h GLU 110 Cb 2.07 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.46 1wg1 h GLU 110 CO -0.34 -0.31 -0.13 0.28 -2.18 0.00 0.00 179.01 176.33 1wg1 h VAL 111 N -1.01 0.78 -0.72 0.32 2.07 0.74 -2.71 116.25 115.72 1wg1 h VAL 111 Ca -0.06 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.18 1wg1 h VAL 111 Cb 0.58 1.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.23 1wg1 h VAL 111 CO 0.11 0.08 -0.25 1.57 0.02 0.00 0.00 177.57 179.10 1wg1 n HIS 112 N -5.16 0.09 -0.18 1.57 -0.00 0.77 0.19 115.22 112.50 1wg1 n HIS 112 Ca -0.10 0.89 -0.10 0.00 -0.00 0.00 0.00 57.72 58.42 1wg1 n HIS 112 Cb 0.23 -0.81 0.01 0.00 -0.00 0.00 0.00 29.99 29.41 1wg1 n HIS 112 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1wg1 h ASP 113 N 0.00 0.89 -0.60 0.26 5.19 -1.51 -3.03 116.42 117.62 1wg1 h ASP 113 Ca 0.28 -0.31 0.08 0.00 -0.62 0.00 0.00 57.03 56.46 1wg1 h ASP 113 Cb 0.46 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 39.66 1wg1 h ASP 113 CO -0.73 0.98 0.26 0.25 -3.12 0.00 0.00 179.24 176.89 1wg1 h LEU 114 N 0.78 0.31 -4.79 1.55 5.85 0.24 -2.14 115.31 117.10 1wg1 h LEU 114 Ca 0.14 0.06 -0.71 0.00 0.84 0.00 0.00 57.88 58.21 1wg1 h LEU 114 Cb 0.53 0.02 -0.26 0.00 0.37 0.00 0.00 40.66 41.32 1wg1 h LEU 114 CO 0.03 0.19 0.94 0.18 -0.34 0.00 0.00 178.44 179.44 1wg1 n LEU 115 N -4.94 7.40 -0.08 2.25 4.77 0.26 -4.62 117.00 122.04 1wg1 n LEU 115 Ca 0.08 -4.64 -0.14 0.00 -0.03 0.00 0.00 56.01 51.28 1wg1 n LEU 115 Cb 0.24 -1.08 -0.03 0.00 -2.33 0.00 0.00 43.42 40.21 1wg1 n LEU 115 CO 0.24 1.71 0.45 0.07 -1.33 0.00 0.00 177.39 178.54 1wg1 h LYS 116 N 2.85 0.88 -0.63 3.23 2.10 -1.32 -3.19 116.57 120.49 1wg1 h LYS 116 Ca 0.55 -0.54 0.12 0.00 -2.00 0.00 0.00 60.65 58.77 1wg1 h LYS 116 Cb 0.23 0.06 -0.09 0.00 -0.90 0.00 0.00 32.23 31.53 1wg1 h LYS 116 CO 1.37 1.18 0.17 -0.44 -2.00 0.00 0.00 179.45 179.73 1wg1 h ASP 117 N 0.68 0.07 -3.74 7.07 3.32 -1.85 -3.41 116.42 118.57 1wg1 h ASP 117 Ca 0.02 0.11 -0.49 0.00 0.02 0.00 0.00 57.03 56.69 1wg1 h ASP 117 Cb 1.13 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 1wg1 h ASP 117 CO 0.12 0.04 0.13 -0.31 -1.72 0.00 0.00 179.24 177.50 1wg1 s TYR 118 N -6.09 3.42 -0.18 4.55 1.51 -1.21 -5.03 117.35 114.32 1wg1 s TYR 118 Ca -0.13 1.30 -0.27 0.00 -1.01 0.00 0.00 57.07 56.96 1wg1 s TYR 118 Cb 0.18 -2.59 -0.01 0.00 -0.11 0.00 0.00 41.96 39.43 1wg1 s TYR 118 CO 0.74 0.12 0.92 0.34 -1.11 0.00 0.00 175.55 176.57 1wg1 s ASP 119 N -2.13 7.04 0.15 2.29 2.15 -1.26 -4.96 116.67 119.94 1wg1 s ASP 119 Ca 0.53 1.29 -0.07 0.00 0.43 0.00 0.00 52.55 54.73 1wg1 s ASP 119 Cb -0.11 -2.50 -0.06 0.00 -0.30 0.00 0.00 42.92 39.95 1wg1 s ASP 119 CO 0.18 -0.50 0.42 -0.76 -0.17 0.00 0.00 175.17 174.34 1wg1 s LEU 120 N 2.48 4.26 0.00 -1.34 1.02 -1.26 -2.50 118.68 121.35 1wg1 s LEU 120 Ca 0.42 0.71 0.00 0.00 0.02 0.00 0.00 54.13 55.28 1wg1 s LEU 120 Cb -0.16 -3.31 0.00 0.00 0.02 0.00 0.00 46.19 42.73 1wg1 s LEU 120 CO 0.11 0.05 0.00 0.29 0.02 0.00 0.00 176.35 176.83 1wg1 n LYS 121 N 0.24 0.96 -3.67 1.70 5.02 -0.18 -4.95 118.16 117.28 1wg1 n LYS 121 Ca -0.03 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.17 1wg1 n LYS 121 Cb 0.52 -0.96 -0.09 0.00 -0.02 0.00 0.00 35.03 34.48 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 -1.92 -0.79 -0.17 2.13 6.14 -1.25 -4.97 117.35 116.52 1wg1 s TYR 122 Ca 0.00 1.56 0.01 0.00 0.64 0.00 0.00 57.07 59.28 1wg1 s TYR 122 Cb 0.00 0.36 0.02 0.00 0.42 0.00 0.00 41.96 42.76 1wg1 s TYR 122 CO 0.00 -0.45 -0.20 0.00 0.64 0.00 0.00 175.55 175.54 1wg1 s TYR 124 N 1.17 1.13 -0.12 0.00 6.14 -0.64 -4.96 117.35 120.07 1wg1 s TYR 124 Ca 0.02 -1.05 -0.22 0.00 0.64 0.00 0.00 57.07 56.46 1wg1 s TYR 124 Cb -0.14 -1.16 -0.03 0.00 0.42 0.00 0.00 41.96 41.05 1wg1 s TYR 124 CO -0.10 -0.68 0.64 0.08 0.64 0.00 0.00 175.55 176.13 1wg1 s VAL 125 N 1.82 5.06 -0.55 3.14 1.01 -1.26 -0.60 120.40 129.02 1wg1 s VAL 125 Ca 0.02 1.28 0.02 0.00 0.00 0.00 0.00 61.98 63.30 1wg1 s VAL 125 Cb -0.17 -3.97 0.14 0.00 0.00 0.00 0.00 36.38 32.38 1wg1 s VAL 125 CO -0.14 0.21 0.30 -0.62 0.00 0.00 0.00 175.10 174.86 1wg1 s ASP 126 N 0.90 4.53 0.20 3.32 -1.08 -0.40 -4.95 116.67 119.18 1wg1 s ASP 126 Ca 0.33 -2.99 -0.11 0.00 -0.52 0.00 0.00 52.55 49.26 1wg1 s ASP 126 Cb -0.17 -1.69 0.17 0.00 -1.46 0.00 0.00 42.92 39.77 1wg1 s ASP 126 CO 0.14 -0.26 1.82 0.08 0.52 0.00 0.00 175.17 177.47 1wg1 h ARG 127 N 6.61 0.69 -0.95 4.34 0.11 -1.93 1.90 114.38 125.15 1wg1 h ARG 127 Ca -0.06 -0.04 0.15 0.00 0.10 0.00 0.00 59.98 60.12 1wg1 h ARG 127 Cb 0.90 -0.16 -0.08 0.00 1.11 0.00 0.00 29.97 31.75 1wg1 h ARG 127 CO 0.69 0.46 0.60 -0.97 0.10 0.00 0.00 179.97 180.85 1wg1 h ASN 128 N 0.71 0.76 -0.35 0.08 -1.24 -1.97 -0.64 115.58 112.94 1wg1 h ASN 128 Ca 0.26 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.32 1wg1 h ASN 128 Cb 0.07 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.02 1wg1 h ASN 128 CO -0.12 0.37 0.00 0.29 -1.29 0.00 0.00 177.43 176.67 1wg1 n LYS 129 N -4.62 2.90 -4.00 6.67 5.02 -0.72 -4.99 118.16 118.43 1wg1 n LYS 129 Ca 0.19 -2.21 -0.31 0.00 -2.02 0.00 0.00 58.31 53.96 1wg1 n LYS 129 Cb 0.46 -1.38 -0.04 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 0.37 -0.70 -3.68 1.97 1.74 0.64 -4.91 116.66 112.08 1wg1 n ARG 130 Ca 0.14 0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 57.09 1wg1 n ARG 130 Cb 0.52 -2.46 -0.14 0.00 -1.02 0.00 0.00 32.46 29.35 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 -4.00 -0.26 -0.25 0.55 2.01 -0.48 -3.51 115.64 109.71 1wg1 s THR 131 Ca 0.17 0.27 -0.07 0.00 0.31 0.00 0.00 61.69 62.36 1wg1 s THR 131 Cb -0.09 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 1wg1 s THR 131 CO 0.81 0.11 0.07 0.00 -0.69 0.00 0.00 174.62 174.92 1wg1 s ALA 132 N 2.04 3.18 -0.36 7.40 0.00 -0.33 -1.27 121.76 132.42 1wg1 s ALA 132 Ca -0.01 -1.12 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 1wg1 s ALA 132 Cb -0.12 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 20.93 1wg1 s ALA 132 CO -0.07 -0.47 0.83 -0.06 0.00 0.00 0.00 175.76 175.99 1wg1 s PHE 133 N 1.58 3.11 -0.26 0.00 0.40 0.23 -0.55 117.98 122.49 1wg1 s PHE 133 Ca 0.06 0.66 0.03 0.00 -0.60 0.00 0.00 56.93 57.08 1wg1 s PHE 133 Cb -0.15 -3.45 0.06 0.00 0.51 0.00 0.00 43.02 39.99 1wg1 s PHE 133 CO 0.04 -0.74 -0.10 0.08 0.70 0.00 0.00 175.22 175.20 1wg1 s VAL 134 N 3.19 2.14 -0.52 -0.44 1.01 -0.89 -1.62 120.40 123.28 1wg1 s VAL 134 Ca 0.34 -1.67 -0.24 0.00 0.00 0.00 0.00 61.98 60.41 1wg1 s VAL 134 Cb -0.13 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 34.00 1wg1 s VAL 134 CO 0.17 -0.07 0.92 -0.89 0.00 0.00 0.00 175.10 175.22 1wg1 s THR 135 N 1.10 4.44 0.98 3.92 2.01 -0.79 -1.84 115.64 125.47 1wg1 s THR 135 Ca -0.08 0.39 -0.14 0.00 0.31 0.00 0.00 61.69 62.18 1wg1 s THR 135 Cb -0.20 -4.49 0.18 0.00 0.01 0.00 0.00 72.50 68.01 1wg1 s THR 135 CO -0.05 -1.00 1.15 -0.76 -0.69 0.00 0.00 174.62 173.27 1wg1 s LEU 136 N 3.81 1.82 -0.01 4.42 1.43 -1.26 -1.02 118.68 127.86 1wg1 s LEU 136 Ca 0.32 0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 54.18 1wg1 s LEU 136 Cb -0.12 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 1wg1 s LEU 136 CO 0.21 -2.94 0.47 0.25 0.23 0.00 0.00 176.35 174.57 1wg1 h LEU 137 N -1.77 -0.16 -9.70 1.79 5.85 -1.85 -3.43 115.31 106.05 1wg1 h LEU 137 Ca -0.49 0.01 -0.57 0.00 0.84 0.00 0.00 57.88 57.67 1wg1 h LEU 137 Cb 1.31 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.29 1wg1 h LEU 137 CO 0.53 -0.01 -0.58 0.20 -0.34 0.00 0.00 178.44 178.24 1wg1 s ASN 138 N -3.41 4.37 0.02 1.25 0.01 -1.26 -5.00 114.94 110.92 1wg1 s ASN 138 Ca -0.03 -0.93 -0.27 0.00 -0.71 0.00 0.00 52.86 50.93 1wg1 s ASN 138 Cb 0.00 -0.60 -0.16 0.00 0.41 0.00 0.00 41.25 40.91 1wg1 s ASN 138 CO 0.08 -0.28 1.22 1.23 -1.51 0.00 0.00 177.10 177.84 1wg1 h GLY 139 N 1.69 -0.83 -0.77 0.66 0.00 -1.92 -3.19 103.07 98.70 1wg1 h GLY 139 Ca -0.43 0.31 0.16 0.00 0.00 0.00 0.00 47.33 47.36 1wg1 h GLY 139 CO 0.66 -0.30 -0.19 -2.21 0.00 0.00 0.00 176.54 174.50 1wg1 n GLU 140 N -5.34 -0.07 -0.25 4.80 0.00 -1.26 0.20 120.64 118.72 1wg1 n GLU 140 Ca -0.12 1.21 0.04 0.00 0.00 0.00 0.00 57.16 58.29 1wg1 n GLU 140 Cb 0.35 -1.80 0.17 0.00 0.00 0.00 0.00 31.44 30.15 1wg1 n GLU 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1wg1 h GLN 141 N 0.00 0.45 0.68 5.31 4.20 -1.98 -2.75 115.11 121.02 1wg1 h GLN 141 Ca 0.38 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 1wg1 h GLN 141 Cb 0.58 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.27 1wg1 h GLN 141 CO -0.79 0.30 -0.33 0.00 -0.67 0.00 0.00 178.83 177.34 1wg1 h ALA 142 N 1.51 -0.91 -1.33 3.87 0.00 0.23 0.33 119.26 122.95 1wg1 h ALA 142 Ca 0.39 -0.21 0.41 0.00 0.00 0.00 0.00 54.91 55.51 1wg1 h ALA 142 Cb 0.56 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1wg1 h ALA 142 CO -0.37 -0.86 0.92 1.04 0.00 0.00 0.00 179.25 179.98 1wg1 n GLN 143 N -5.39 -0.01 -0.06 0.00 3.00 -0.57 -0.58 117.38 113.77 1wg1 n GLN 143 Ca -0.12 0.90 -0.05 0.00 -0.01 0.00 0.00 57.00 57.72 1wg1 n GLN 143 Cb 0.37 -1.93 -0.02 0.00 0.00 0.00 0.00 30.24 28.66 1wg1 n GLN 143 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1wg1 n ASN 144 N -3.83 1.35 -0.54 1.08 3.02 -1.08 -4.33 115.26 110.93 1wg1 n ASN 144 Ca 0.33 0.36 0.43 0.00 -0.03 0.00 0.00 54.58 55.67 1wg1 n ASN 144 Cb 1.41 -0.71 0.66 0.00 -0.61 0.00 0.00 39.78 40.53 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 -3.63 1.53 -0.44 5.41 0.00 0.11 -0.19 120.51 123.31 1wg1 n ALA 145 Ca -0.08 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1wg1 n ALA 145 Cb 0.30 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1wg1 n ALA 145 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1wg1 n ILE 146 N -3.56 0.00 -0.30 0.00 5.41 0.25 -1.89 119.36 119.26 1wg1 n ILE 146 Ca 0.36 1.14 -0.05 0.00 1.00 0.00 0.00 62.75 65.19 1wg1 n ILE 146 Cb 1.71 -2.08 0.07 0.00 -0.71 0.00 0.00 39.64 38.63 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 1.21 -0.99 0.38 1.08 -1.38 1.15 115.11 116.57 1wg1 h GLN 147 Ca 0.00 -0.21 0.19 0.00 -1.45 0.00 0.00 58.65 57.18 1wg1 h GLN 147 Cb 0.00 -0.20 -0.10 0.00 -0.05 0.00 0.00 27.48 27.13 1wg1 h GLN 147 CO 0.00 0.96 0.61 0.52 -0.95 0.00 0.00 178.83 179.98 1wg1 h MET 148 N 1.19 0.70 0.00 1.46 2.86 -0.68 -1.23 114.93 119.23 1wg1 h MET 148 Ca 0.28 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1wg1 h MET 148 Cb 0.18 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1wg1 h MET 148 CO -0.03 0.46 -1.56 1.19 1.06 0.00 0.00 176.91 178.04 1wg1 n PHE 149 N -4.71 0.00 -1.61 -0.22 3.01 -0.79 -4.94 117.46 108.20 1wg1 n PHE 149 Ca 0.22 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 58.20 1wg1 n PHE 149 Cb 0.58 -0.29 -0.04 0.00 -0.01 0.00 0.00 39.48 39.72 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 -1.93 1.61 -3.44 1.38 -0.00 0.39 -1.17 115.22 112.07 1wg1 n HIS 150 Ca -0.01 0.58 -0.21 0.00 0.46 0.00 0.00 57.72 58.54 1wg1 n HIS 150 Cb 0.45 -2.35 0.07 0.00 -0.12 0.00 0.00 29.99 28.03 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 2.18 -6.94 -3.00 1.57 6.02 -0.71 -4.94 117.38 111.55 1wg1 n GLN 151 Ca 0.15 0.75 -0.28 0.00 -0.01 0.00 0.00 57.00 57.62 1wg1 n GLN 151 Cb 0.25 -5.55 -0.02 0.00 1.02 0.00 0.00 30.24 25.94 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 3.51 -0.17 1.08 5.04 -0.31 -4.86 117.35 118.36 1wg1 s TYR 152 Ca 0.51 0.73 -0.29 0.00 -2.44 0.00 0.00 57.07 55.58 1wg1 s TYR 152 Cb -0.22 -2.21 -0.01 0.00 0.35 0.00 0.00 41.96 39.87 1wg1 s TYR 152 CO 0.63 -0.05 1.26 0.45 -1.34 0.00 0.00 175.55 176.49 1wg1 s SER 153 N -3.64 6.95 -0.25 4.32 0.15 -1.26 -2.91 113.70 117.05 1wg1 s SER 153 Ca 0.46 1.68 -0.02 0.00 0.70 0.00 0.00 55.95 58.77 1wg1 s SER 153 Cb -0.10 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.81 1wg1 s SER 153 CO 0.36 -0.76 0.41 0.12 1.20 0.00 0.00 173.24 174.58 1wg1 s PHE 154 N 3.48 -0.94 -1.26 3.44 2.19 -0.54 -4.89 117.98 119.45 1wg1 s PHE 154 Ca 0.54 0.93 0.00 0.00 0.33 0.00 0.00 56.93 58.73 1wg1 s PHE 154 Cb -0.22 0.09 0.00 0.00 -1.31 0.00 0.00 43.02 41.58 1wg1 s PHE 154 CO 0.14 -0.75 0.00 0.54 1.83 0.00 0.00 175.22 176.98 1wg1 n ARG 155 N 5.37 -1.85 0.00 10.12 5.12 -1.26 0.54 116.66 134.70 1wg1 n ARG 155 Ca -0.03 0.71 0.00 0.00 -1.93 0.00 0.00 57.85 56.60 1wg1 n ARG 155 Cb 0.50 -5.20 0.00 0.00 -1.16 0.00 0.00 32.46 26.60 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 -0.64 2.61 3.92 -0.13 0.00 -1.26 -5.03 105.19 104.66 1wg1 n GLY 156 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.47 3.57 -1.12 1.61 -0.14 0.19 -5.04 119.74 118.34 1wg1 s LYS 157 Ca 0.00 -0.13 -0.10 0.00 -1.36 0.00 0.00 55.97 54.39 1wg1 s LYS 157 Cb 0.00 -2.67 0.27 0.00 -1.68 0.00 0.00 37.83 33.75 1wg1 s LYS 157 CO 0.00 0.21 1.15 -0.51 -0.76 0.00 0.00 175.35 175.44 1wg1 s ASP 158 N -3.42 7.30 0.04 2.83 1.01 -1.26 -1.47 116.67 121.71 1wg1 s ASP 158 Ca 0.42 -3.53 -0.28 0.00 0.71 0.00 0.00 52.55 49.87 1wg1 s ASP 158 Cb -0.10 -2.23 -0.15 0.00 1.01 0.00 0.00 42.92 41.45 1wg1 s ASP 158 CO 0.32 -0.34 0.72 0.18 0.21 0.00 0.00 175.17 176.26 1wg1 n LEU 159 N 3.02 -0.26 -4.26 1.23 4.77 -1.15 -4.45 117.00 115.91 1wg1 n LEU 159 Ca 0.25 0.89 -0.40 0.00 -0.03 0.00 0.00 56.01 56.72 1wg1 n LEU 159 Cb 0.40 -0.72 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 1wg1 n LEU 159 CO 0.48 -1.69 -0.10 -0.63 -1.33 0.00 0.00 177.39 174.12 1wg1 s ILE 160 N -0.20 4.18 -0.14 -0.08 -1.09 -0.65 -1.74 121.20 121.49 1wg1 s ILE 160 Ca 0.65 -1.47 -0.17 0.00 -2.23 0.00 0.00 60.65 57.43 1wg1 s ILE 160 Cb -0.91 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 36.33 1wg1 s ILE 160 CO 0.44 -0.54 0.42 -0.69 -1.23 0.00 0.00 174.94 173.33 1wg1 s VAL 161 N 1.40 5.23 0.32 2.92 1.01 -1.26 -1.07 120.40 128.95 1wg1 s VAL 161 Ca 0.03 0.82 0.07 0.00 0.00 0.00 0.00 61.98 62.90 1wg1 s VAL 161 Cb -0.23 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1wg1 s VAL 161 CO 0.01 0.34 0.28 0.00 0.00 0.00 0.00 175.10 175.73 1wg1 n GLN 162 N 3.68 0.40 -1.71 2.72 6.02 -0.83 -4.77 117.38 122.89 1wg1 n GLN 162 Ca -0.09 -3.20 -0.30 0.00 -0.01 0.00 0.00 57.00 53.41 1wg1 n GLN 162 Cb 0.52 2.63 0.07 0.00 1.02 0.00 0.00 30.24 34.48 1wg1 n GLN 162 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wg1 s LEU 163 N 0.00 2.71 0.23 1.08 2.01 -1.26 -0.09 118.68 123.37 1wg1 s LEU 163 Ca 0.38 1.21 0.07 0.00 0.01 0.00 0.00 54.13 55.80 1wg1 s LEU 163 Cb 0.02 -3.89 -0.04 0.00 0.01 0.00 0.00 46.19 42.30 1wg1 s LEU 163 CO 0.27 -1.71 0.17 -1.10 1.01 0.00 0.00 176.35 174.99 1wg1 s GLN 164 N -5.26 2.87 0.06 1.70 -0.21 -0.55 -4.16 119.66 114.12 1wg1 s GLN 164 Ca 0.60 -1.04 -0.31 0.00 0.02 0.00 0.00 55.36 54.63 1wg1 s GLN 164 Cb -0.13 -2.55 -0.07 0.00 1.00 0.00 0.00 33.01 31.26 1wg1 s GLN 164 CO 0.53 0.42 1.40 -1.25 -2.12 0.00 0.00 175.29 174.26 1wg1 s PRO 165 N -3.68 4.31 -0.08 2.91 0.04 -1.26 -4.99 135.00 132.24 1wg1 s PRO 165 Ca 0.32 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.37 1wg1 s PRO 165 Cb -0.08 -3.40 0.03 0.00 0.04 0.00 0.00 34.50 31.09 1wg1 s PRO 165 CO 0.24 -0.49 0.00 0.99 0.04 0.00 0.00 177.00 177.78 1wg1 s THR 166 N 1.69 0.40 -0.71 1.26 2.01 -1.26 -5.09 115.64 113.94 1wg1 s THR 166 Ca 0.64 0.07 -0.27 0.00 0.31 0.00 0.00 61.69 62.44 1wg1 s THR 166 Cb -0.34 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.61 1wg1 s THR 166 CO 0.29 0.23 1.32 -0.62 -0.69 0.00 0.00 174.62 175.15 1wg1 s ASP 167 N 1.96 6.12 1.33 3.53 2.15 -1.26 -5.00 116.67 125.50 1wg1 s ASP 167 Ca 0.05 -0.31 -0.21 0.00 0.43 0.00 0.00 52.55 52.51 1wg1 s ASP 167 Cb -0.13 -2.56 0.32 0.00 -0.30 0.00 0.00 42.92 40.26 1wg1 s ASP 167 CO -0.06 -1.84 0.74 0.00 -0.17 0.00 0.00 175.17 173.84 1wg1 n ALA 168 N 9.55 -3.75 -3.76 3.66 0.00 -1.26 -4.99 120.51 119.96 1wg1 n ALA 168 Ca 0.05 -1.66 -0.34 0.00 0.00 0.00 0.00 53.44 51.49 1wg1 n ALA 168 Cb 0.49 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 1wg1 n ALA 168 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1wg1 s LEU 169 N -5.59 3.24 -1.50 0.00 0.05 -1.26 -4.72 118.68 108.91 1wg1 s LEU 169 Ca 0.58 -0.95 -0.19 0.00 0.05 0.00 0.00 54.13 53.61 1wg1 s LEU 169 Cb -0.11 -1.65 0.19 0.00 -2.05 0.00 0.00 46.19 42.57 1wg1 s LEU 169 CO 0.49 -0.14 0.48 0.18 -0.55 0.00 0.00 176.35 176.81 1wg1 n LEU 170 N 4.64 -0.66 -3.52 1.48 4.77 -1.26 -4.87 117.00 117.59 1wg1 n LEU 170 Ca -0.16 -0.93 -0.22 0.00 -0.03 0.00 0.00 56.01 54.68 1wg1 n LEU 170 Cb 0.46 -1.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.00 1wg1 n LEU 170 CO 0.26 0.08 -0.25 0.00 -1.33 0.00 0.00 177.39 176.15 1wg1 s SER 172 N 2.25 0.53 -0.86 0.00 0.15 -1.26 -4.74 113.70 109.77 1wg1 s SER 172 Ca 0.06 -0.07 -0.03 0.00 0.70 0.00 0.00 55.95 56.61 1wg1 s SER 172 Cb -0.16 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 1wg1 s SER 172 CO -0.18 -0.02 0.62 0.61 1.20 0.00 0.00 173.24 175.46 1wg1 n GLY 173 N 3.58 -1.27 3.73 9.45 0.00 -1.26 -4.85 105.19 114.57 1wg1 n GLY 173 Ca -0.20 0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.05 4.38 0.97 1.61 0.04 -1.26 -5.02 135.00 130.68 1wg1 s PRO 174 Ca 0.05 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 1wg1 s PRO 174 Cb -0.03 -3.21 0.17 0.00 0.04 0.00 0.00 34.50 31.48 1wg1 s PRO 174 CO 0.89 -0.28 1.09 -1.54 0.04 0.00 0.00 177.00 177.21 1wg1 s SER 175 N 0.48 2.81 0.09 6.66 1.04 -1.26 -4.96 113.70 118.56 1wg1 s SER 175 Ca 0.58 1.33 -0.32 0.00 0.48 0.00 0.00 55.95 58.01 1wg1 s SER 175 Cb -0.36 -2.00 -0.14 0.00 0.10 0.00 0.00 66.02 63.62 1wg1 s SER 175 CO 0.37 -3.03 1.60 -1.28 0.98 0.00 0.00 173.24 171.87 1wg1 h SER 176 N -1.82 -1.10 0.00 7.02 0.87 -2.05 -3.55 113.55 112.92 1wg1 h SER 176 Ca -0.53 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1wg1 h SER 176 Cb 1.31 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1wg1 h SER 176 CO 0.56 -0.55 0.00 0.61 -0.53 0.00 0.00 176.83 176.92