#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 5.61 0.44 1.61 1.04 -1.26 -5.08 113.70 116.06 1wg1 s SER 91 Ca 0.00 -1.64 0.08 0.00 0.48 0.00 0.00 55.95 54.87 1wg1 s SER 91 Cb 0.00 -1.97 0.02 0.00 0.10 0.00 0.00 66.02 64.16 1wg1 s SER 91 CO 0.00 -0.57 0.60 -0.44 0.98 0.00 0.00 173.24 173.81 1wg1 s SER 92 N 2.21 5.59 0.00 7.02 0.01 -1.26 -4.97 113.70 122.30 1wg1 s SER 92 Ca 0.04 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1wg1 s SER 92 Cb -0.24 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.42 1wg1 s SER 92 CO 0.01 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1wg1 n GLY 93 N -1.91 0.46 3.31 3.44 0.00 -1.26 -5.04 105.19 104.18 1wg1 n GLY 93 Ca 0.09 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 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 -4.00 3.59 0.02 1.61 1.04 -1.26 -4.86 113.70 109.84 1wg1 s SER 94 Ca 0.00 -0.42 -0.29 0.00 0.48 0.00 0.00 55.95 55.72 1wg1 s SER 94 Cb 0.00 -1.41 0.11 0.00 0.10 0.00 0.00 66.02 64.81 1wg1 s SER 94 CO 0.00 0.18 1.23 -0.94 0.98 0.00 0.00 173.24 174.69 1wg1 s SER 95 N 0.22 -0.07 0.53 7.02 1.04 -1.26 -0.74 113.70 120.45 1wg1 s SER 95 Ca -0.12 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1wg1 s SER 95 Cb -0.16 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1wg1 s SER 95 CO 0.06 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1wg1 n GLY 96 N -0.54 -2.83 3.12 7.32 0.00 -1.26 -4.31 105.19 106.67 1wg1 n GLY 96 Ca -0.07 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.44 0.19 -0.20 -0.61 -4.36 -0.06 -4.03 121.20 107.68 1wg1 s ILE 97 Ca 0.00 -1.54 -0.06 0.00 -0.26 0.00 0.00 60.65 58.79 1wg1 s ILE 97 Cb 0.00 -1.35 -0.03 0.00 1.25 0.00 0.00 42.46 42.33 1wg1 s ILE 97 CO 0.00 -0.85 0.03 -0.76 0.24 0.00 0.00 174.94 173.60 1wg1 s LEU 98 N -2.75 3.45 -0.93 0.37 1.43 0.20 -2.06 118.68 118.40 1wg1 s LEU 98 Ca 0.04 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 1wg1 s LEU 98 Cb 0.05 -1.88 0.21 0.00 0.03 0.00 0.00 46.19 44.60 1wg1 s LEU 98 CO -0.09 0.08 0.95 -0.69 0.23 0.00 0.00 176.35 176.82 1wg1 s VAL 99 N 0.94 5.49 0.37 -1.59 1.01 -0.36 -1.98 120.40 124.28 1wg1 s VAL 99 Ca 0.02 -2.51 0.03 0.00 0.00 0.00 0.00 61.98 59.52 1wg1 s VAL 99 Cb -0.14 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.64 1wg1 s VAL 99 CO 0.02 -1.19 0.55 -0.54 0.00 0.00 0.00 175.10 173.95 1wg1 s LYS 100 N 0.43 3.21 -0.49 2.72 1.02 -0.03 -1.95 119.74 124.66 1wg1 s LYS 100 Ca 0.25 -0.64 -0.02 0.00 0.02 0.00 0.00 55.97 55.58 1wg1 s LYS 100 Cb -0.09 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1wg1 s LYS 100 CO -0.08 -0.01 0.42 -1.71 -0.92 0.00 0.00 175.35 173.05 1wg1 n ASN 101 N -1.82 -3.20 -4.89 2.83 5.15 -1.24 -0.48 115.26 111.60 1wg1 n ASN 101 Ca -0.02 -0.21 -0.29 0.00 -0.60 0.00 0.00 54.58 53.47 1wg1 n ASN 101 Cb 0.57 -2.19 -0.02 0.00 -0.53 0.00 0.00 39.78 37.61 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 -3.42 3.79 0.00 1.20 1.43 -1.07 -4.30 118.68 116.30 1wg1 s LEU 102 Ca 0.16 0.97 -0.05 0.00 -1.03 0.00 0.00 54.13 54.18 1wg1 s LEU 102 Cb -0.07 -3.87 0.07 0.00 0.03 0.00 0.00 46.19 42.35 1wg1 s LEU 102 CO 0.27 -0.44 0.24 -0.81 0.23 0.00 0.00 176.35 175.84 1wg1 n PRO 103 N -1.66 -1.49 0.09 1.29 -0.04 -1.26 -4.87 135.00 127.07 1wg1 n PRO 103 Ca 0.01 -0.38 -0.17 0.00 -0.04 0.00 0.00 63.50 62.91 1wg1 n PRO 103 Cb 0.54 -0.36 -0.14 0.00 -0.04 0.00 0.00 33.50 33.50 1wg1 n PRO 103 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1wg1 h GLN 104 N 0.00 0.29 -0.84 0.54 4.15 -1.98 -3.31 115.11 113.96 1wg1 h GLN 104 Ca -0.09 -0.50 -0.48 0.00 0.77 0.00 0.00 58.65 58.35 1wg1 h GLN 104 Cb 0.27 0.19 -0.27 0.00 0.21 0.00 0.00 27.48 27.88 1wg1 h GLN 104 CO 0.06 1.20 0.45 -3.47 -1.93 0.00 0.00 178.83 175.14 1wg1 n ASP 105 N -3.52 4.44 -4.75 -0.69 2.03 -1.26 -5.00 116.55 107.80 1wg1 n ASP 105 Ca -0.12 -3.70 -0.35 0.00 0.52 0.00 0.00 54.79 51.13 1wg1 n ASP 105 Cb 1.04 -0.80 0.05 0.00 -0.72 0.00 0.00 41.12 40.69 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 -1.85 5.01 0.23 1.67 0.15 -1.25 -5.04 113.70 112.62 1wg1 s SER 106 Ca 0.56 2.26 -0.20 0.00 0.70 0.00 0.00 55.95 59.27 1wg1 s SER 106 Cb 0.47 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 62.22 1wg1 s SER 106 CO 0.05 -1.71 0.62 0.20 1.20 0.00 0.00 173.24 173.61 1wg1 s ASN 107 N -1.94 -0.32 0.04 5.45 0.01 -1.26 -4.88 114.94 112.03 1wg1 s ASN 107 Ca 0.74 -0.46 -0.32 0.00 -0.71 0.00 0.00 52.86 52.10 1wg1 s ASN 107 Cb -0.27 0.65 -0.18 0.00 0.41 0.00 0.00 41.25 41.86 1wg1 s ASN 107 CO 0.37 -1.17 1.34 0.00 -1.51 0.00 0.00 177.10 176.13 1wg1 n GLN 109 N -5.51 -0.04 -0.02 0.00 -0.06 -1.26 0.20 117.38 110.68 1wg1 n GLN 109 Ca -0.14 1.02 -0.12 0.00 -2.00 0.00 0.00 57.00 55.76 1wg1 n GLN 109 Cb 0.46 -1.83 -0.08 0.00 -4.06 0.00 0.00 30.24 24.73 1wg1 n GLN 109 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1wg1 h GLU 110 N 0.00 0.14 0.21 3.69 3.07 -1.94 -2.98 114.58 116.77 1wg1 h GLU 110 Ca 0.62 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.42 1wg1 h GLU 110 Cb 1.63 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 1wg1 h GLU 110 CO -0.57 0.43 -0.10 0.28 -1.40 0.00 0.00 179.01 177.65 1wg1 h VAL 111 N -0.16 0.86 -0.84 3.13 2.07 0.24 -2.78 116.25 118.77 1wg1 h VAL 111 Ca 0.02 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 66.86 1wg1 h VAL 111 Cb 0.37 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 31.33 1wg1 h VAL 111 CO 0.01 0.16 -0.50 1.57 0.02 0.00 0.00 177.57 178.83 1wg1 n HIS 112 N -5.04 -0.37 -0.36 1.57 -0.00 0.11 0.62 115.22 111.74 1wg1 n HIS 112 Ca -0.09 1.05 0.06 0.00 -0.00 0.00 0.00 57.72 58.74 1wg1 n HIS 112 Cb 0.25 -0.57 0.22 0.00 -0.00 0.00 0.00 29.99 29.89 1wg1 n HIS 112 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 1wg1 h ASP 113 N 0.00 0.97 -0.47 0.26 1.82 -1.60 -0.81 116.42 116.59 1wg1 h ASP 113 Ca 0.13 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1wg1 h ASP 113 Cb 0.35 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 1wg1 h ASP 113 CO -0.79 0.55 0.29 0.25 -1.61 0.00 0.00 179.24 177.93 1wg1 h LEU 114 N 1.06 0.56 -3.97 2.28 5.85 0.48 -2.68 115.31 118.88 1wg1 h LEU 114 Ca 0.48 -0.04 -0.66 0.00 0.84 0.00 0.00 57.88 58.49 1wg1 h LEU 114 Cb 0.38 -0.14 -0.30 0.00 0.37 0.00 0.00 40.66 40.97 1wg1 h LEU 114 CO -0.23 0.44 0.72 0.18 -0.34 0.00 0.00 178.44 179.20 1wg1 n LEU 115 N -4.73 7.43 -0.04 2.25 4.77 0.95 -4.65 117.00 122.98 1wg1 n LEU 115 Ca 0.02 -4.31 -0.11 0.00 -0.03 0.00 0.00 56.01 51.58 1wg1 n LEU 115 Cb 0.04 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.17 1wg1 n LEU 115 CO 0.35 1.52 0.87 0.07 -1.33 0.00 0.00 177.39 178.87 1wg1 h LYS 116 N 1.99 0.23 -0.97 3.23 2.10 -0.83 -2.94 116.57 119.38 1wg1 h LYS 116 Ca 0.59 -0.03 0.25 0.00 -2.00 0.00 0.00 60.65 59.45 1wg1 h LYS 116 Cb 0.93 -0.04 -0.18 0.00 -0.90 0.00 0.00 32.23 32.04 1wg1 h LYS 116 CO 1.51 0.27 -0.04 -3.47 -2.00 0.00 0.00 179.45 175.72 1wg1 n ASP 117 N -4.90 -0.17 -4.88 7.07 -0.08 -1.26 -4.36 116.55 107.97 1wg1 n ASP 117 Ca -0.04 1.65 -0.30 0.00 -1.51 0.00 0.00 54.79 54.59 1wg1 n ASP 117 Cb 0.09 -0.58 -0.03 0.00 2.34 0.00 0.00 41.12 42.94 1wg1 n ASP 117 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1wg1 s TYR 118 N -6.02 3.47 -0.01 -0.67 1.51 -1.11 -5.05 117.35 109.47 1wg1 s TYR 118 Ca -0.13 0.94 -0.30 0.00 -1.01 0.00 0.00 57.07 56.57 1wg1 s TYR 118 Cb 0.28 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 1wg1 s TYR 118 CO 0.76 -0.02 1.00 0.34 -1.11 0.00 0.00 175.55 176.51 1wg1 s ASP 119 N -3.12 7.34 -0.27 2.29 -1.08 -1.26 -4.96 116.67 115.60 1wg1 s ASP 119 Ca 0.49 1.67 -0.07 0.00 -0.52 0.00 0.00 52.55 54.12 1wg1 s ASP 119 Cb -0.10 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.78 1wg1 s ASP 119 CO 0.30 -0.29 0.08 -0.76 0.52 0.00 0.00 175.17 175.02 1wg1 s LEU 120 N 1.13 3.63 -0.19 -1.34 1.02 -1.26 -3.56 118.68 118.10 1wg1 s LEU 120 Ca 0.52 -0.43 -0.19 0.00 0.02 0.00 0.00 54.13 54.05 1wg1 s LEU 120 Cb -0.21 -1.91 -0.21 0.00 0.02 0.00 0.00 46.19 43.88 1wg1 s LEU 120 CO 0.27 -0.11 0.25 0.11 0.02 0.00 0.00 176.35 176.90 1wg1 h LYS 121 N 8.24 0.05 -3.21 1.70 1.57 -1.55 -3.49 116.57 119.89 1wg1 h LYS 121 Ca -0.35 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.20 1wg1 h LYS 121 Cb 1.15 0.03 -0.22 0.00 0.08 0.00 0.00 32.23 33.28 1wg1 h LYS 121 CO 0.59 1.04 -0.39 -0.47 -0.57 0.00 0.00 179.45 179.66 1wg1 s TYR 122 N -2.40 -0.14 -0.03 -1.35 5.04 -1.26 -5.01 117.35 112.20 1wg1 s TYR 122 Ca -0.27 0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 54.62 1wg1 s TYR 122 Cb 0.06 0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.45 1wg1 s TYR 122 CO 0.63 -0.28 0.06 0.00 -1.34 0.00 0.00 175.55 174.61 1wg1 s TYR 124 N 1.20 2.95 -0.16 0.00 5.04 -0.82 -4.95 117.35 120.61 1wg1 s TYR 124 Ca -0.08 -2.40 -0.21 0.00 -2.44 0.00 0.00 57.07 51.94 1wg1 s TYR 124 Cb -0.13 -2.29 -0.03 0.00 0.35 0.00 0.00 41.96 39.86 1wg1 s TYR 124 CO -0.04 -0.89 0.64 0.08 -1.34 0.00 0.00 175.55 174.00 1wg1 s VAL 125 N 1.19 5.04 -0.53 3.14 1.01 -1.26 -1.63 120.40 127.36 1wg1 s VAL 125 Ca 0.06 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.32 1wg1 s VAL 125 Cb -0.19 -3.96 0.13 0.00 0.00 0.00 0.00 36.38 32.36 1wg1 s VAL 125 CO -0.12 0.16 0.27 -1.81 0.00 0.00 0.00 175.10 173.61 1wg1 s ASP 126 N 1.04 4.38 0.21 3.32 1.01 0.86 -4.96 116.67 122.53 1wg1 s ASP 126 Ca 0.31 -3.01 -0.09 0.00 0.71 0.00 0.00 52.55 50.47 1wg1 s ASP 126 Cb -0.16 -1.66 0.31 0.00 1.01 0.00 0.00 42.92 42.43 1wg1 s ASP 126 CO 0.12 -0.24 1.70 0.03 0.21 0.00 0.00 175.17 176.99 1wg1 h ARG 127 N 6.53 0.25 -0.80 8.23 3.08 -1.90 0.78 114.38 130.55 1wg1 h ARG 127 Ca -0.07 -0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.15 1wg1 h ARG 127 Cb 0.89 -0.06 -0.12 0.00 0.08 0.00 0.00 29.97 30.76 1wg1 h ARG 127 CO 0.69 0.17 0.20 -0.91 -1.07 0.00 0.00 179.97 179.05 1wg1 h ASN 128 N 0.26 0.00 -0.53 7.04 2.35 -1.95 0.30 115.58 123.04 1wg1 h ASN 128 Ca 0.33 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 1wg1 h ASN 128 Cb 0.50 0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1wg1 h ASN 128 CO -0.42 -0.08 0.00 0.29 -1.65 0.00 0.00 177.43 175.57 1wg1 n LYS 129 N -5.19 3.51 -3.84 0.81 4.76 -0.33 -4.97 118.16 112.91 1wg1 n LYS 129 Ca 0.17 -2.76 -0.26 0.00 -2.87 0.00 0.00 58.31 52.59 1wg1 n LYS 129 Cb 0.54 -1.80 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 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 0.73 -0.75 -3.80 1.97 3.00 0.26 -4.88 116.66 113.19 1wg1 n ARG 130 Ca 0.23 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.85 57.92 1wg1 n ARG 130 Cb 0.83 -1.97 -0.11 0.00 0.00 0.00 0.00 32.46 31.20 1wg1 n ARG 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1wg1 s THR 131 N -3.97 0.01 -0.10 0.55 2.01 -0.87 -2.61 115.64 110.66 1wg1 s THR 131 Ca 0.15 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1wg1 s THR 131 Cb -0.08 -0.36 0.02 0.00 0.01 0.00 0.00 72.50 72.09 1wg1 s THR 131 CO 0.67 -0.06 -0.13 0.00 -0.69 0.00 0.00 174.62 174.42 1wg1 s ALA 132 N -0.14 1.54 -0.37 7.40 0.00 -0.82 -0.10 121.76 129.27 1wg1 s ALA 132 Ca -0.03 -0.64 -0.20 0.00 0.00 0.00 0.00 51.96 51.10 1wg1 s ALA 132 Cb -0.03 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.29 1wg1 s ALA 132 CO 0.01 -0.12 0.61 -0.06 0.00 0.00 0.00 175.76 176.20 1wg1 s PHE 133 N 1.09 3.14 -0.13 0.00 0.08 -0.64 -1.23 117.98 120.29 1wg1 s PHE 133 Ca -0.05 0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.19 1wg1 s PHE 133 Cb -0.14 -3.13 -0.03 0.00 -0.57 0.00 0.00 43.02 39.15 1wg1 s PHE 133 CO -0.02 -0.65 0.01 0.08 -0.10 0.00 0.00 175.22 174.53 1wg1 s VAL 134 N 2.65 4.33 -0.40 -0.44 1.01 -0.87 -1.95 120.40 124.74 1wg1 s VAL 134 Ca 0.23 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 1wg1 s VAL 134 Cb -0.15 -2.88 0.08 0.00 0.00 0.00 0.00 36.38 33.43 1wg1 s VAL 134 CO 0.15 0.53 0.21 -0.89 0.00 0.00 0.00 175.10 175.10 1wg1 s THR 135 N -0.16 3.84 0.92 3.92 2.01 -0.67 -0.88 115.64 124.63 1wg1 s THR 135 Ca 0.05 -1.52 -0.13 0.00 0.31 0.00 0.00 61.69 60.40 1wg1 s THR 135 Cb -0.13 -3.38 0.19 0.00 0.01 0.00 0.00 72.50 69.19 1wg1 s THR 135 CO 0.02 -0.48 1.27 -0.76 -0.69 0.00 0.00 174.62 173.98 1wg1 s LEU 136 N 1.34 2.76 -0.01 4.42 1.43 -1.26 -1.40 118.68 125.96 1wg1 s LEU 136 Ca 0.03 0.17 -0.25 0.00 -1.03 0.00 0.00 54.13 53.05 1wg1 s LEU 136 Cb -0.22 -2.27 -0.19 0.00 0.03 0.00 0.00 46.19 43.54 1wg1 s LEU 136 CO 0.00 -2.58 1.27 0.25 0.23 0.00 0.00 176.35 175.53 1wg1 h LEU 137 N -1.45 -0.10 -8.88 1.79 5.85 -1.97 -3.41 115.31 107.14 1wg1 h LEU 137 Ca -0.43 -0.36 -0.45 0.00 0.84 0.00 0.00 57.88 57.48 1wg1 h LEU 137 Cb 1.24 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.16 1wg1 h LEU 137 CO 0.39 0.32 -0.50 0.54 -0.34 0.00 0.00 178.44 178.85 1wg1 s ASN 138 N -5.49 1.56 -0.08 1.25 2.20 -1.26 -4.99 114.94 108.13 1wg1 s ASN 138 Ca -0.15 -1.73 -0.20 0.00 -0.94 0.00 0.00 52.86 49.83 1wg1 s ASN 138 Cb 0.02 0.54 -0.17 0.00 -2.00 0.00 0.00 41.25 39.65 1wg1 s ASN 138 CO 0.63 -1.05 0.73 1.23 -2.94 0.00 0.00 177.10 175.70 1wg1 h GLY 139 N 2.17 -0.10 -0.89 0.45 0.00 -1.30 -3.26 103.07 100.14 1wg1 h GLY 139 Ca -0.26 0.04 0.35 0.00 0.00 0.00 0.00 47.33 47.46 1wg1 h GLY 139 CO 0.38 -0.04 0.51 1.18 0.00 0.00 0.00 176.54 178.57 1wg1 n GLU 140 N -4.80 -0.04 -0.06 4.80 1.02 -1.26 0.21 120.64 120.50 1wg1 n GLU 140 Ca -0.07 1.09 -0.13 0.00 -0.02 0.00 0.00 57.16 58.03 1wg1 n GLU 140 Cb 0.29 -2.00 -0.06 0.00 -0.02 0.00 0.00 31.44 29.64 1wg1 n GLU 140 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1wg1 h GLN 141 N 0.00 0.38 0.16 3.49 4.20 -1.96 -3.30 115.11 118.09 1wg1 h GLN 141 Ca 0.69 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 59.22 1wg1 h GLN 141 Cb 1.95 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.72 1wg1 h GLN 141 CO -0.56 0.70 -0.08 0.00 -0.67 0.00 0.00 178.83 178.23 1wg1 h ALA 142 N 0.67 -0.22 -1.30 3.87 0.00 0.23 -2.10 119.26 120.43 1wg1 h ALA 142 Ca 0.04 -0.19 0.40 0.00 0.00 0.00 0.00 54.91 55.16 1wg1 h ALA 142 Cb 0.60 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1wg1 h ALA 142 CO 0.03 -0.44 0.90 1.04 0.00 0.00 0.00 179.25 180.78 1wg1 n GLN 143 N -5.02 -0.01 -0.05 0.00 1.13 0.71 -0.71 117.38 113.43 1wg1 n GLN 143 Ca -0.09 0.87 -0.04 0.00 -1.94 0.00 0.00 57.00 55.81 1wg1 n GLN 143 Cb 0.23 -1.88 -0.01 0.00 0.11 0.00 0.00 30.24 28.69 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 -3.78 1.30 -0.31 1.08 3.02 -1.15 -4.34 115.26 111.08 1wg1 n ASN 144 Ca 0.32 0.46 0.29 0.00 -0.03 0.00 0.00 54.58 55.62 1wg1 n ASN 144 Cb 1.38 -0.74 0.52 0.00 -0.61 0.00 0.00 39.78 40.33 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 -3.38 0.96 0.03 5.41 0.00 -0.20 -0.63 120.51 122.70 1wg1 n ALA 145 Ca -0.06 0.83 -0.07 0.00 0.00 0.00 0.00 53.44 54.15 1wg1 n ALA 145 Cb 0.23 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 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 0.26 0.00 2.04 -1.11 0.16 117.51 118.86 1wg1 h ILE 146 Ca 0.73 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.58 1wg1 h ILE 146 Cb 2.06 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1wg1 h ILE 146 CO -0.58 0.00 -0.13 1.56 0.00 0.00 0.00 178.15 179.00 1wg1 h GLN 147 N -0.29 -0.34 -1.09 2.37 1.08 -1.07 1.24 115.11 117.01 1wg1 h GLN 147 Ca 0.00 0.02 0.38 0.00 -1.45 0.00 0.00 58.65 57.61 1wg1 h GLN 147 Cb 0.30 0.08 -0.15 0.00 -0.05 0.00 0.00 27.48 27.66 1wg1 h GLN 147 CO -0.14 -0.01 0.64 0.52 -0.95 0.00 0.00 178.83 178.90 1wg1 h MET 148 N -0.71 0.16 0.00 1.46 2.86 -1.06 0.41 114.93 118.05 1wg1 h MET 148 Ca -0.04 -0.01 -0.24 0.00 -2.06 0.00 0.00 59.70 57.36 1wg1 h MET 148 Cb 0.49 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1wg1 h MET 148 CO 0.06 0.10 -1.95 1.19 1.06 0.00 0.00 176.91 177.37 1wg1 n PHE 149 N -5.01 0.42 -1.61 -0.22 3.01 0.55 -4.91 117.46 109.69 1wg1 n PHE 149 Ca 0.35 0.14 -0.57 0.00 1.01 0.00 0.00 57.45 58.39 1wg1 n PHE 149 Cb 1.20 -0.96 -0.07 0.00 -0.01 0.00 0.00 39.48 39.64 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 -2.74 1.43 -3.13 1.38 -0.00 0.42 -0.81 115.22 111.77 1wg1 n HIS 150 Ca -0.19 0.78 -0.14 0.00 0.46 0.00 0.00 57.72 58.63 1wg1 n HIS 150 Cb 0.95 -2.29 0.05 0.00 -0.12 0.00 0.00 29.99 28.59 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 3.02 -4.96 -2.56 1.57 1.13 -0.12 -4.93 117.38 110.53 1wg1 n GLN 151 Ca 0.22 0.55 -0.27 0.00 -1.94 0.00 0.00 57.00 55.55 1wg1 n GLN 151 Cb 0.12 -4.71 0.00 0.00 0.11 0.00 0.00 30.24 25.76 1wg1 n GLN 151 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1wg1 s TYR 152 N -3.22 3.53 -0.46 1.08 5.04 0.01 -4.86 117.35 118.48 1wg1 s TYR 152 Ca 0.27 0.82 -0.24 0.00 -2.44 0.00 0.00 57.07 55.48 1wg1 s TYR 152 Cb -0.12 -2.38 0.03 0.00 0.35 0.00 0.00 41.96 39.84 1wg1 s TYR 152 CO 0.48 -0.37 0.85 0.45 -1.34 0.00 0.00 175.55 175.62 1wg1 s SER 153 N -4.13 6.45 -0.24 4.32 0.15 -1.26 -3.54 113.70 115.45 1wg1 s SER 153 Ca 0.49 -0.02 -0.04 0.00 0.70 0.00 0.00 55.95 57.08 1wg1 s SER 153 Cb -0.10 -2.41 0.13 0.00 -1.71 0.00 0.00 66.02 61.92 1wg1 s SER 153 CO 0.45 -0.98 0.40 0.12 1.20 0.00 0.00 173.24 174.43 1wg1 s PHE 154 N 3.51 -0.86 -1.44 3.44 5.36 -1.13 -4.91 117.98 121.94 1wg1 s PHE 154 Ca 0.33 1.04 -0.09 0.00 -0.96 0.00 0.00 56.93 57.25 1wg1 s PHE 154 Cb -0.11 0.11 0.05 0.00 -0.34 0.00 0.00 43.02 42.73 1wg1 s PHE 154 CO 0.24 -0.67 0.96 0.54 -1.46 0.00 0.00 175.22 174.83 1wg1 n ARG 155 N 5.37 -5.85 -2.06 10.12 1.74 -1.26 -0.77 116.66 123.95 1wg1 n ARG 155 Ca -0.05 0.65 -0.18 0.00 -0.77 0.00 0.00 57.85 57.50 1wg1 n ARG 155 Cb 0.50 -5.50 -0.04 0.00 -1.02 0.00 0.00 32.46 26.40 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 -1.70 0.38 3.39 -0.13 0.00 -1.26 -4.96 105.19 100.91 1wg1 n GLY 156 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.44 1.45 -1.02 1.61 -0.14 0.05 -5.09 119.74 112.16 1wg1 s LYS 157 Ca 0.00 -1.57 -0.06 0.00 -1.36 0.00 0.00 55.97 52.98 1wg1 s LYS 157 Cb 0.00 -1.52 0.25 0.00 -1.68 0.00 0.00 37.83 34.89 1wg1 s LYS 157 CO 0.00 0.30 0.98 -0.25 -0.76 0.00 0.00 175.35 175.62 1wg1 n ASP 158 N -0.11 4.96 -4.64 2.83 8.00 -1.26 -2.83 116.55 123.50 1wg1 n ASP 158 Ca -0.10 -3.09 -0.56 0.00 0.71 0.00 0.00 54.79 51.75 1wg1 n ASP 158 Cb 0.58 -1.23 -0.07 0.00 -0.02 0.00 0.00 41.12 40.38 1wg1 n ASP 158 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wg1 n LEU 159 N 2.48 1.67 -4.41 0.64 4.77 -1.23 -4.58 117.00 116.34 1wg1 n LEU 159 Ca 0.23 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 56.92 1wg1 n LEU 159 Cb 0.38 -1.11 -0.11 0.00 -2.33 0.00 0.00 43.42 40.25 1wg1 n LEU 159 CO 0.43 -0.91 -0.14 -0.63 -1.33 0.00 0.00 177.39 174.81 1wg1 s ILE 160 N 1.79 4.75 -0.20 -0.08 1.01 0.37 -0.94 121.20 127.90 1wg1 s ILE 160 Ca 0.92 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 1wg1 s ILE 160 Cb -1.09 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 37.72 1wg1 s ILE 160 CO 0.58 -0.21 0.16 -0.69 0.00 0.00 0.00 174.94 174.79 1wg1 s VAL 161 N 1.59 5.38 0.34 2.92 1.01 -1.26 -0.85 120.40 129.54 1wg1 s VAL 161 Ca 0.03 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1wg1 s VAL 161 Cb -0.19 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1wg1 s VAL 161 CO 0.07 0.41 0.18 -1.10 0.00 0.00 0.00 175.10 174.67 1wg1 s GLN 162 N 0.51 1.74 0.68 2.72 -0.21 -0.84 -4.75 119.66 119.51 1wg1 s GLN 162 Ca 0.09 -2.02 -0.10 0.00 0.02 0.00 0.00 55.36 53.35 1wg1 s GLN 162 Cb -0.12 -0.15 0.01 0.00 1.00 0.00 0.00 33.01 33.75 1wg1 s GLN 162 CO 0.00 -0.51 1.05 -0.51 -2.12 0.00 0.00 175.29 173.21 1wg1 s LEU 163 N -3.45 2.98 0.41 2.90 1.43 -1.26 -0.62 118.68 121.07 1wg1 s LEU 163 Ca 0.33 1.05 -0.22 0.00 -1.03 0.00 0.00 54.13 54.26 1wg1 s LEU 163 Cb 0.04 -3.86 -0.10 0.00 0.03 0.00 0.00 46.19 42.30 1wg1 s LEU 163 CO 0.19 -1.26 0.98 -1.10 0.23 0.00 0.00 176.35 175.38 1wg1 s GLN 164 N -5.27 4.23 0.00 1.70 -0.21 -1.26 -4.48 119.66 114.37 1wg1 s GLN 164 Ca 0.57 1.27 0.12 0.00 0.02 0.00 0.00 55.36 57.34 1wg1 s GLN 164 Cb -0.11 -2.36 0.73 0.00 1.00 0.00 0.00 33.01 32.27 1wg1 s GLN 164 CO 0.50 -0.04 1.16 -0.35 -2.12 0.00 0.00 175.29 174.44 1wg1 n PRO 165 N -0.34 0.49 -0.27 2.91 -0.04 -1.26 -4.10 135.00 132.39 1wg1 n PRO 165 Ca 0.06 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1wg1 n PRO 165 Cb 0.52 -1.39 0.03 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.37 -3.77 0.52 -1.04 -1.26 -4.33 114.28 103.14 1wg1 n THR 166 Ca 0.09 1.65 -0.13 0.00 -2.04 0.00 0.00 64.05 63.62 1wg1 n THR 166 Cb 0.04 -2.18 -0.14 0.00 -1.82 0.00 0.00 70.33 66.23 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 -5.25 -0.14 -0.31 8.00 -1.08 -1.26 -5.13 116.67 111.50 1wg1 s ASP 167 Ca -0.10 0.32 -0.01 0.00 -0.52 0.00 0.00 52.55 52.24 1wg1 s ASP 167 Cb 0.15 0.25 0.06 0.00 -1.46 0.00 0.00 42.92 41.91 1wg1 s ASP 167 CO 0.51 -0.12 0.02 0.00 0.52 0.00 0.00 175.17 176.09 1wg1 s ALA 168 N 0.82 2.84 0.87 3.66 0.00 -1.26 -5.02 121.76 123.66 1wg1 s ALA 168 Ca -0.06 -1.90 -0.13 0.00 0.00 0.00 0.00 51.96 49.87 1wg1 s ALA 168 Cb -0.08 -1.96 0.12 0.00 0.00 0.00 0.00 23.12 21.20 1wg1 s ALA 168 CO -0.04 -1.35 1.19 -0.48 0.00 0.00 0.00 175.76 175.08 1wg1 s LEU 169 N 1.20 2.36 -0.31 0.00 0.05 -1.26 -5.04 118.68 115.69 1wg1 s LEU 169 Ca -0.03 0.73 -0.11 0.00 0.05 0.00 0.00 54.13 54.77 1wg1 s LEU 169 Cb -0.20 -3.07 -0.02 0.00 -2.05 0.00 0.00 46.19 40.85 1wg1 s LEU 169 CO -0.02 -2.28 0.19 -0.76 -0.55 0.00 0.00 176.35 172.92 1wg1 s LEU 170 N -5.79 4.21 -0.21 1.48 1.43 -1.26 -5.07 118.68 113.47 1wg1 s LEU 170 Ca 0.65 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1wg1 s LEU 170 Cb -0.11 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1wg1 s LEU 170 CO 0.51 -0.17 -0.06 0.00 0.23 0.00 0.00 176.35 176.86 1wg1 h SER 172 N 7.89 -1.17 -0.04 0.00 0.02 -2.04 -3.48 113.55 114.72 1wg1 h SER 172 Ca -0.40 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1wg1 h SER 172 Cb 1.17 0.36 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1wg1 h SER 172 CO 0.60 -0.67 0.00 0.61 -1.14 0.00 0.00 176.83 176.23 1wg1 n GLY 173 N -1.57 3.81 0.00 -3.77 0.00 -1.26 -4.97 105.19 97.42 1wg1 n GLY 173 Ca -0.13 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.02 0.09 -0.99 1.61 -0.04 -1.26 -4.86 135.00 128.52 1wg1 n PRO 174 Ca 0.00 0.21 -0.35 0.00 -0.04 0.00 0.00 63.50 63.32 1wg1 n PRO 174 Cb 0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1wg1 n PRO 174 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wg1 n SER 175 N -1.41 -4.18 -3.48 3.54 7.64 -1.26 -5.01 113.62 109.45 1wg1 n SER 175 Ca 0.05 0.31 -0.12 0.00 1.01 0.00 0.00 58.87 60.12 1wg1 n SER 175 Cb 0.14 -0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 1wg1 n SER 175 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wg1 s SER 176 N -1.34 -0.51 0.00 6.43 0.15 -1.26 -5.21 113.70 111.95 1wg1 s SER 176 Ca 0.49 0.20 0.04 0.00 0.70 0.00 0.00 55.95 57.38 1wg1 s SER 176 Cb -0.24 0.50 0.23 0.00 -1.71 0.00 0.00 66.02 64.80 1wg1 s SER 176 CO 0.74 -0.73 0.71 0.61 1.20 0.00 0.00 173.24 175.78