#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 3.59 0.28 1.61 0.15 -1.26 -5.12 113.70 112.95 1wg1 s SER 91 Ca 0.00 -0.97 -0.05 0.00 0.70 0.00 0.00 55.95 55.63 1wg1 s SER 91 Cb 0.00 -1.32 -0.05 0.00 -1.71 0.00 0.00 66.02 62.94 1wg1 s SER 91 CO 0.00 -0.14 0.54 -0.44 1.20 0.00 0.00 173.24 174.40 1wg1 s SER 92 N 1.33 6.45 0.00 5.45 0.01 -1.26 -4.96 113.70 120.71 1wg1 s SER 92 Ca -0.02 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1wg1 s SER 92 Cb -0.17 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1wg1 s SER 92 CO -0.08 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1wg1 n GLY 93 N -0.87 0.44 2.68 3.44 0.00 -1.15 -4.83 105.19 104.90 1wg1 n GLY 93 Ca -0.02 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.33 -1.34 1.61 0.01 -1.26 -4.90 113.70 111.16 1wg1 s SER 94 Ca 0.00 -3.32 -0.09 0.00 1.31 0.00 0.00 55.95 53.84 1wg1 s SER 94 Cb 0.00 -1.07 0.09 0.00 0.21 0.00 0.00 66.02 65.25 1wg1 s SER 94 CO 0.00 -0.15 0.23 -1.54 0.41 0.00 0.00 173.24 172.19 1wg1 n SER 95 N 2.60 -0.34 -3.63 2.44 3.41 -1.26 -4.84 113.62 112.00 1wg1 n SER 95 Ca 0.21 -0.98 -0.13 0.00 -0.26 0.00 0.00 58.87 57.71 1wg1 n SER 95 Cb 0.40 -1.24 -0.07 0.00 -0.26 0.00 0.00 64.21 63.04 1wg1 n SER 95 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wg1 s GLY 96 N -3.42 -0.45 0.21 5.00 0.00 -1.26 0.82 107.32 108.23 1wg1 s GLY 96 Ca 0.33 2.17 0.08 0.00 0.00 0.00 0.00 44.72 47.30 1wg1 s GLY 96 CO 0.79 1.76 -0.15 -0.26 0.00 0.00 0.00 173.10 175.24 1wg1 s ILE 97 N 0.33 1.81 -0.13 0.90 -4.36 0.41 -2.27 121.20 117.89 1wg1 s ILE 97 Ca 0.01 -2.23 -0.04 0.00 -0.26 0.00 0.00 60.65 58.12 1wg1 s ILE 97 Cb -0.05 -2.08 -0.03 0.00 1.25 0.00 0.00 42.46 41.54 1wg1 s ILE 97 CO -0.01 -0.57 0.02 -0.76 0.24 0.00 0.00 174.94 173.86 1wg1 s LEU 98 N -3.34 3.62 -0.70 0.37 1.43 0.86 -1.95 118.68 118.97 1wg1 s LEU 98 Ca 0.23 0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.28 1wg1 s LEU 98 Cb -0.01 -1.87 0.18 0.00 0.03 0.00 0.00 46.19 44.52 1wg1 s LEU 98 CO 0.08 0.27 0.63 -0.69 0.23 0.00 0.00 176.35 176.86 1wg1 s VAL 99 N -0.21 5.22 0.28 -1.59 1.01 0.61 -2.03 120.40 123.68 1wg1 s VAL 99 Ca 0.06 -2.17 0.08 0.00 0.00 0.00 0.00 61.98 59.94 1wg1 s VAL 99 Cb -0.12 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1wg1 s VAL 99 CO 0.02 -0.95 0.17 -0.54 0.00 0.00 0.00 175.10 173.80 1wg1 s LYS 100 N 0.66 2.73 -0.54 2.72 1.02 0.05 -0.94 119.74 125.44 1wg1 s LYS 100 Ca 0.12 -1.21 -0.02 0.00 0.02 0.00 0.00 55.97 54.88 1wg1 s LYS 100 Cb -0.18 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 1wg1 s LYS 100 CO -0.04 0.32 0.46 -1.71 -0.92 0.00 0.00 175.35 173.45 1wg1 n ASN 101 N -1.16 -3.20 -4.87 2.83 5.15 -1.24 -0.07 115.26 112.70 1wg1 n ASN 101 Ca -0.06 -0.23 -0.30 0.00 -0.60 0.00 0.00 54.58 53.38 1wg1 n ASN 101 Cb 0.59 -2.37 -0.02 0.00 -0.53 0.00 0.00 39.78 37.44 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 -3.66 3.66 0.00 1.20 1.43 -1.22 -4.30 118.68 115.80 1wg1 s LEU 102 Ca 0.16 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 1wg1 s LEU 102 Cb -0.07 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 41.97 1wg1 s LEU 102 CO 0.30 -0.54 0.00 -0.81 0.23 0.00 0.00 176.35 175.53 1wg1 n PRO 103 N -1.74 0.21 0.00 1.29 -0.04 -1.26 -4.95 135.00 128.51 1wg1 n PRO 103 Ca 0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1wg1 n PRO 103 Cb 0.54 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.64 0.54 -0.00 -1.98 -3.34 115.11 109.69 1wg1 h GLN 104 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.65 58.28 1wg1 h GLN 104 Cb 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 27.48 27.26 1wg1 h GLN 104 CO 0.00 0.61 0.14 -0.25 -0.00 0.00 0.00 178.83 179.34 1wg1 n ASP 105 N -3.12 3.75 -4.75 0.06 8.00 -1.26 -5.03 116.55 114.19 1wg1 n ASP 105 Ca -0.12 -3.75 -0.38 0.00 0.71 0.00 0.00 54.79 51.25 1wg1 n ASP 105 Cb 1.02 -0.70 0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1wg1 n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1wg1 s SER 106 N -2.27 5.45 0.18 -2.24 0.15 -1.26 -5.03 113.70 108.69 1wg1 s SER 106 Ca 0.51 2.58 -0.23 0.00 0.70 0.00 0.00 55.95 59.51 1wg1 s SER 106 Cb 0.44 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 62.19 1wg1 s SER 106 CO 0.03 -1.43 0.65 0.20 1.20 0.00 0.00 173.24 173.89 1wg1 s ASN 107 N -1.19 -0.47 0.06 5.45 0.01 -1.26 -5.03 114.94 112.52 1wg1 s ASN 107 Ca 0.71 -0.16 -0.32 0.00 -0.71 0.00 0.00 52.86 52.38 1wg1 s ASN 107 Cb -0.36 0.62 -0.19 0.00 0.41 0.00 0.00 41.25 41.74 1wg1 s ASN 107 CO 0.42 -1.04 1.56 0.00 -1.51 0.00 0.00 177.10 176.52 1wg1 n GLN 109 N -5.45 -0.05 -0.04 0.00 -0.06 -1.26 0.12 117.38 110.64 1wg1 n GLN 109 Ca -0.13 1.25 -0.13 0.00 -2.00 0.00 0.00 57.00 55.99 1wg1 n GLN 109 Cb 0.37 -2.28 -0.08 0.00 -4.06 0.00 0.00 30.24 24.18 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 0.19 0.30 3.69 4.39 -1.90 -3.04 114.58 118.21 1wg1 h GLU 110 Ca 0.79 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 60.39 1wg1 h GLU 110 Cb 2.19 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.83 1wg1 h GLU 110 CO -0.65 0.54 -0.14 0.28 -1.16 0.00 0.00 179.01 177.88 1wg1 h VAL 111 N -0.16 0.72 -0.91 3.13 2.07 0.12 -2.60 116.25 118.61 1wg1 h VAL 111 Ca 0.02 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.07 1wg1 h VAL 111 Cb 0.48 1.01 -0.11 0.00 -1.52 0.00 0.00 31.29 31.15 1wg1 h VAL 111 CO 0.01 0.11 -0.54 1.57 0.02 0.00 0.00 177.57 178.74 1wg1 n HIS 112 N -5.13 -0.40 -0.32 1.57 -0.00 0.11 0.74 115.22 111.79 1wg1 n HIS 112 Ca -0.10 1.14 0.06 0.00 -0.00 0.00 0.00 57.72 58.82 1wg1 n HIS 112 Cb 0.26 -0.57 0.25 0.00 -0.00 0.00 0.00 29.99 29.93 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 -0.13 0.26 3.32 -1.59 -2.17 116.42 117.00 1wg1 h ASP 113 Ca 0.15 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1wg1 h ASP 113 Cb 0.37 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1wg1 h ASP 113 CO -0.86 0.54 0.08 0.25 -1.72 0.00 0.00 179.24 177.53 1wg1 h LEU 114 N 0.99 0.16 -4.10 1.55 5.85 0.73 -2.76 115.31 117.74 1wg1 h LEU 114 Ca 0.42 -0.03 -0.45 0.00 0.84 0.00 0.00 57.88 58.66 1wg1 h LEU 114 Cb 0.32 -0.04 -0.17 0.00 0.37 0.00 0.00 40.66 41.14 1wg1 h LEU 114 CO -0.18 0.14 0.46 0.18 -0.34 0.00 0.00 178.44 178.70 1wg1 n LEU 115 N -4.98 6.61 -0.07 2.25 4.77 0.75 -4.53 117.00 121.80 1wg1 n LEU 115 Ca -0.05 -3.81 -0.05 0.00 -0.03 0.00 0.00 56.01 52.07 1wg1 n LEU 115 Cb 0.04 -1.14 0.15 0.00 -2.33 0.00 0.00 43.42 40.15 1wg1 n LEU 115 CO 0.34 1.52 0.80 0.07 -1.33 0.00 0.00 177.39 178.79 1wg1 h LYS 116 N 2.33 0.71 -0.68 3.23 -0.00 -1.29 -2.97 116.57 117.89 1wg1 h LYS 116 Ca 0.38 -0.23 0.11 0.00 -0.00 0.00 0.00 60.65 60.91 1wg1 h LYS 116 Cb 0.78 -0.06 -0.08 0.00 -0.00 0.00 0.00 32.23 32.86 1wg1 h LYS 116 CO 0.91 0.80 0.27 -0.44 -0.00 0.00 0.00 179.45 180.99 1wg1 h ASP 117 N 0.65 0.26 -2.73 7.07 5.19 -1.87 -3.42 116.42 121.58 1wg1 h ASP 117 Ca 0.11 0.09 -0.47 0.00 -0.62 0.00 0.00 57.03 56.14 1wg1 h ASP 117 Cb 0.57 0.07 0.01 0.00 0.18 0.00 0.00 39.33 40.15 1wg1 h ASP 117 CO 0.04 0.13 -0.21 -0.31 -3.12 0.00 0.00 179.24 175.76 1wg1 s TYR 118 N -6.06 3.49 -0.47 4.55 1.51 -1.12 -5.06 117.35 114.19 1wg1 s TYR 118 Ca -0.13 0.30 -0.20 0.00 -1.01 0.00 0.00 57.07 56.04 1wg1 s TYR 118 Cb 0.19 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 40.20 1wg1 s TYR 118 CO 0.75 0.14 0.62 0.34 -1.11 0.00 0.00 175.55 176.30 1wg1 s ASP 119 N -4.04 6.27 -0.11 2.29 2.15 -1.26 -4.94 116.67 117.03 1wg1 s ASP 119 Ca 0.40 -0.61 -0.30 0.00 0.43 0.00 0.00 52.55 52.47 1wg1 s ASP 119 Cb -0.10 -2.30 -0.02 0.00 -0.30 0.00 0.00 42.92 40.20 1wg1 s ASP 119 CO 0.35 -0.81 1.25 -0.76 -0.17 0.00 0.00 175.17 175.03 1wg1 s LEU 120 N 2.70 4.23 -0.07 -1.34 1.02 -1.26 -3.03 118.68 120.92 1wg1 s LEU 120 Ca 0.18 1.77 0.03 0.00 0.02 0.00 0.00 54.13 56.13 1wg1 s LEU 120 Cb -0.16 -3.55 -0.25 0.00 0.02 0.00 0.00 46.19 42.25 1wg1 s LEU 120 CO 0.15 -0.69 0.57 0.11 0.02 0.00 0.00 176.35 176.51 1wg1 h LYS 121 N 7.92 0.14 -1.95 1.70 1.57 -0.98 -3.48 116.57 121.48 1wg1 h LYS 121 Ca -0.30 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.21 1wg1 h LYS 121 Cb 1.13 0.09 -0.22 0.00 0.08 0.00 0.00 32.23 33.31 1wg1 h LYS 121 CO 0.93 0.87 0.16 -0.47 -0.57 0.00 0.00 179.45 180.38 1wg1 s TYR 122 N -2.58 -0.76 -0.05 -1.35 5.04 -1.25 -4.99 117.35 111.40 1wg1 s TYR 122 Ca -0.12 1.85 0.01 0.00 -2.44 0.00 0.00 57.07 56.37 1wg1 s TYR 122 Cb 0.07 0.29 0.02 0.00 0.35 0.00 0.00 41.96 42.69 1wg1 s TYR 122 CO 0.81 -0.37 -0.07 0.00 -1.34 0.00 0.00 175.55 174.58 1wg1 s TYR 124 N 0.86 1.36 -0.08 0.00 5.04 -0.73 -4.98 117.35 118.82 1wg1 s TYR 124 Ca -0.12 -1.38 -0.22 0.00 -2.44 0.00 0.00 57.07 52.92 1wg1 s TYR 124 Cb -0.15 -1.41 -0.04 0.00 0.35 0.00 0.00 41.96 40.72 1wg1 s TYR 124 CO 0.01 -0.79 0.62 0.08 -1.34 0.00 0.00 175.55 174.13 1wg1 s VAL 125 N 1.74 5.09 -0.25 3.14 1.01 -1.26 -1.40 120.40 128.47 1wg1 s VAL 125 Ca 0.06 1.28 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 1wg1 s VAL 125 Cb -0.17 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.27 1wg1 s VAL 125 CO -0.21 0.28 -0.05 -0.62 0.00 0.00 0.00 175.10 174.50 1wg1 s ASP 126 N 0.72 4.40 -0.06 3.32 2.15 -0.42 -4.97 116.67 121.81 1wg1 s ASP 126 Ca 0.34 -0.89 0.02 0.00 0.43 0.00 0.00 52.55 52.45 1wg1 s ASP 126 Cb -0.17 -1.68 0.15 0.00 -0.30 0.00 0.00 42.92 40.93 1wg1 s ASP 126 CO 0.15 -0.14 0.88 -2.11 -0.17 0.00 0.00 175.17 173.79 1wg1 n ARG 127 N 4.68 1.62 -0.12 4.34 -4.01 -1.26 -2.40 116.66 119.51 1wg1 n ARG 127 Ca -0.16 -0.62 -0.21 0.00 -1.04 0.00 0.00 57.85 55.82 1wg1 n ARG 127 Cb 0.47 -1.53 -0.07 0.00 -3.04 0.00 0.00 32.46 28.29 1wg1 n ARG 127 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 1wg1 n ASN 128 N 0.14 1.94 -0.21 2.89 5.15 -1.26 -4.68 115.26 119.23 1wg1 n ASN 128 Ca 0.07 0.36 0.02 0.00 -0.60 0.00 0.00 54.58 54.44 1wg1 n ASN 128 Cb 0.53 -0.81 0.06 0.00 -0.53 0.00 0.00 39.78 39.03 1wg1 n ASN 128 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wg1 n LYS 129 N -4.36 2.89 -3.39 1.20 5.02 -1.25 -4.99 118.16 113.28 1wg1 n LYS 129 Ca -0.36 -1.74 -0.19 0.00 -2.02 0.00 0.00 58.31 54.00 1wg1 n LYS 129 Cb 0.71 -1.12 0.07 0.00 -0.02 0.00 0.00 35.03 34.67 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 -6.61 -5.01 1.97 1.74 -1.01 -4.81 116.66 102.69 1wg1 n ARG 130 Ca 0.05 0.73 -0.29 0.00 -0.77 0.00 0.00 57.85 57.57 1wg1 n ARG 130 Cb 0.33 -5.44 -0.16 0.00 -1.02 0.00 0.00 32.46 26.16 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 -3.29 1.71 -0.11 0.55 2.01 -1.14 -3.38 115.64 111.98 1wg1 s THR 131 Ca 0.36 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1wg1 s THR 131 Cb -0.16 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 70.90 1wg1 s THR 131 CO 0.64 0.48 -0.17 0.00 -0.69 0.00 0.00 174.62 174.88 1wg1 s ALA 132 N 0.09 1.82 -0.30 7.40 0.00 -0.11 -1.30 121.76 129.36 1wg1 s ALA 132 Ca -0.08 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 50.85 1wg1 s ALA 132 Cb -0.14 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 1wg1 s ALA 132 CO 0.04 -0.06 0.71 -0.06 0.00 0.00 0.00 175.76 176.39 1wg1 s PHE 133 N 0.94 3.21 -0.11 0.00 0.08 -0.49 -0.28 117.98 121.32 1wg1 s PHE 133 Ca -0.07 0.71 0.03 0.00 0.12 0.00 0.00 56.93 57.72 1wg1 s PHE 133 Cb -0.15 -3.11 -0.00 0.00 -0.57 0.00 0.00 43.02 39.19 1wg1 s PHE 133 CO -0.01 -0.52 -0.21 0.08 -0.10 0.00 0.00 175.22 174.46 1wg1 s VAL 134 N 2.79 2.36 -0.28 -0.44 1.01 -0.82 -1.77 120.40 123.25 1wg1 s VAL 134 Ca 0.29 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1wg1 s VAL 134 Cb -0.15 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1wg1 s VAL 134 CO 0.12 0.55 0.06 -0.89 0.00 0.00 0.00 175.10 174.94 1wg1 s THR 135 N 0.35 3.91 0.84 3.92 2.01 -0.81 -0.44 115.64 125.42 1wg1 s THR 135 Ca -0.16 -0.59 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 1wg1 s THR 135 Cb -0.17 -2.95 0.16 0.00 0.01 0.00 0.00 72.50 69.54 1wg1 s THR 135 CO 0.08 0.17 1.15 -0.76 -0.69 0.00 0.00 174.62 174.57 1wg1 s LEU 136 N 1.51 2.84 -0.06 4.42 1.43 0.24 -0.36 118.68 128.70 1wg1 s LEU 136 Ca 0.04 -0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 1wg1 s LEU 136 Cb -0.16 -2.17 -0.09 0.00 0.03 0.00 0.00 46.19 43.80 1wg1 s LEU 136 CO 0.02 -2.27 0.51 0.25 0.23 0.00 0.00 176.35 175.09 1wg1 h LEU 137 N -1.07 -0.24 -9.00 1.79 5.85 -1.75 -3.43 115.31 107.46 1wg1 h LEU 137 Ca -0.40 -0.13 -0.67 0.00 0.84 0.00 0.00 57.88 57.52 1wg1 h LEU 137 Cb 1.25 0.06 -0.20 0.00 0.37 0.00 0.00 40.66 42.15 1wg1 h LEU 137 CO 0.40 0.27 -0.84 0.20 -0.34 0.00 0.00 178.44 178.13 1wg1 s ASN 138 N -5.30 3.45 0.07 1.25 0.02 -1.26 -4.85 114.94 108.31 1wg1 s ASN 138 Ca -0.07 -0.79 -0.26 0.00 -1.02 0.00 0.00 52.86 50.72 1wg1 s ASN 138 Cb 0.00 -0.28 -0.17 0.00 0.02 0.00 0.00 41.25 40.83 1wg1 s ASN 138 CO 0.25 0.15 1.62 1.23 0.02 0.00 0.00 177.10 180.36 1wg1 h GLY 139 N 3.50 -0.24 -0.48 0.66 0.00 -1.90 -2.92 103.07 101.69 1wg1 h GLY 139 Ca -0.48 0.09 0.23 0.00 0.00 0.00 0.00 47.33 47.17 1wg1 h GLY 139 CO 0.44 -0.09 0.21 0.83 0.00 0.00 0.00 176.54 177.94 1wg1 h GLU 140 N -0.32 0.18 -0.95 4.80 3.07 -1.97 0.49 114.58 119.88 1wg1 h GLU 140 Ca -0.02 -0.01 0.13 0.00 -0.50 0.00 0.00 59.36 58.96 1wg1 h GLU 140 Cb 0.25 -0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 28.03 1wg1 h GLU 140 CO 0.04 0.12 0.57 1.96 -1.40 0.00 0.00 179.01 180.30 1wg1 h GLN 141 N 0.19 0.84 0.27 2.33 4.20 -1.94 -2.50 115.11 118.49 1wg1 h GLN 141 Ca 0.55 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.19 1wg1 h GLN 141 Cb 1.10 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1wg1 h GLN 141 CO -0.67 0.56 -0.13 0.00 -0.67 0.00 0.00 178.83 177.92 1wg1 h ALA 142 N 1.55 -0.36 -0.77 3.87 0.00 -0.03 -1.25 119.26 122.26 1wg1 h ALA 142 Ca 0.49 -0.18 0.32 0.00 0.00 0.00 0.00 54.91 55.54 1wg1 h ALA 142 Cb 0.57 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.36 1wg1 h ALA 142 CO -0.30 -0.52 0.41 1.04 0.00 0.00 0.00 179.25 179.88 1wg1 n GLN 143 N -5.10 -0.05 -0.06 0.00 1.13 -0.79 -0.30 117.38 112.21 1wg1 n GLN 143 Ca -0.09 1.07 -0.02 0.00 -1.94 0.00 0.00 57.00 56.01 1wg1 n GLN 143 Cb 0.25 -1.91 -0.01 0.00 0.11 0.00 0.00 30.24 28.68 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 -0.92 1.08 -0.26 -1.47 -3.38 115.58 110.64 1wg1 h ASN 144 Ca 0.65 0.00 0.28 0.00 -0.56 0.00 0.00 56.30 56.67 1wg1 h ASN 144 Cb 1.72 0.00 -0.17 0.00 -1.06 0.00 0.00 38.32 38.81 1wg1 h ASN 144 CO -0.60 0.60 0.11 0.00 -1.06 0.00 0.00 177.43 176.48 1wg1 n ALA 145 N -3.17 0.56 -0.19 -0.83 0.00 -0.24 -0.81 120.51 115.83 1wg1 n ALA 145 Ca -0.04 0.98 -0.08 0.00 0.00 0.00 0.00 53.44 54.30 1wg1 n ALA 145 Cb 0.13 -0.76 -0.07 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 0.42 0.00 2.04 -0.83 0.48 117.51 119.62 1wg1 h ILE 146 Ca 0.60 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.44 1wg1 h ILE 146 Cb 1.32 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1wg1 h ILE 146 CO -0.83 0.00 -0.20 1.56 0.00 0.00 0.00 178.15 178.68 1wg1 h GLN 147 N -0.13 -0.54 -1.58 2.37 1.08 -1.15 1.84 115.11 117.00 1wg1 h GLN 147 Ca 0.08 0.04 0.49 0.00 -1.45 0.00 0.00 58.65 57.81 1wg1 h GLN 147 Cb 0.33 0.12 -0.11 0.00 -0.05 0.00 0.00 27.48 27.77 1wg1 h GLN 147 CO -0.51 -0.24 1.08 0.52 -0.95 0.00 0.00 178.83 178.73 1wg1 h MET 148 N -1.00 0.03 0.00 1.46 2.86 -0.93 0.81 114.93 118.15 1wg1 h MET 148 Ca -0.06 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 1wg1 h MET 148 Cb 0.55 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1wg1 h MET 148 CO 0.09 0.02 -1.86 1.19 1.06 0.00 0.00 176.91 177.41 1wg1 n PHE 149 N -4.38 0.00 -1.35 -0.22 3.01 0.17 -4.91 117.46 109.78 1wg1 n PHE 149 Ca 0.40 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.46 1wg1 n PHE 149 Cb 1.68 -0.49 0.01 0.00 -0.01 0.00 0.00 39.48 40.67 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 -2.22 -1.74 -3.50 1.38 -0.00 0.63 -0.69 115.22 109.08 1wg1 n HIS 150 Ca -0.09 0.54 -0.26 0.00 -0.00 0.00 0.00 57.72 57.91 1wg1 n HIS 150 Cb 0.59 -1.83 -0.05 0.00 -0.00 0.00 0.00 29.99 28.70 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 0.97 -0.85 -1.66 1.57 -0.00 0.23 -4.84 117.38 112.80 1wg1 n GLN 151 Ca 0.10 0.08 -0.31 0.00 -0.00 0.00 0.00 57.00 56.88 1wg1 n GLN 151 Cb 0.43 -2.83 0.05 0.00 -0.00 0.00 0.00 30.24 27.89 1wg1 n GLN 151 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1wg1 s TYR 152 N -2.78 3.18 -0.55 2.61 5.04 0.13 -4.72 117.35 120.27 1wg1 s TYR 152 Ca 0.41 1.29 -0.28 0.00 -2.44 0.00 0.00 57.07 56.05 1wg1 s TYR 152 Cb -0.24 -2.92 0.02 0.00 0.35 0.00 0.00 41.96 39.17 1wg1 s TYR 152 CO 0.65 -1.23 1.34 0.45 -1.34 0.00 0.00 175.55 175.43 1wg1 s SER 153 N -3.96 6.25 -0.15 4.32 0.15 -1.26 -3.47 113.70 115.58 1wg1 s SER 153 Ca 0.58 0.30 -0.06 0.00 0.70 0.00 0.00 55.95 57.47 1wg1 s SER 153 Cb -0.13 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.70 1wg1 s SER 153 CO 0.54 -1.60 0.33 0.12 1.20 0.00 0.00 173.24 173.82 1wg1 s PHE 154 N 5.64 -0.54 -1.55 3.44 5.36 -1.10 -4.91 117.98 124.32 1wg1 s PHE 154 Ca 0.50 1.15 -0.08 0.00 -0.96 0.00 0.00 56.93 57.54 1wg1 s PHE 154 Cb -0.10 0.11 0.07 0.00 -0.34 0.00 0.00 43.02 42.76 1wg1 s PHE 154 CO 0.26 -0.37 0.54 0.54 -1.46 0.00 0.00 175.22 174.72 1wg1 n ARG 155 N 5.07 -3.02 -2.15 10.12 5.12 -1.26 0.68 116.66 131.22 1wg1 n ARG 155 Ca -0.12 0.36 -0.15 0.00 -1.93 0.00 0.00 57.85 56.01 1wg1 n ARG 155 Cb 0.51 -4.68 -0.02 0.00 -1.16 0.00 0.00 32.46 27.10 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 0.04 3.52 -0.13 0.00 -1.26 -4.94 105.19 100.63 1wg1 n GLY 156 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.55 1.83 -0.75 1.61 -0.14 0.21 -5.10 119.74 112.85 1wg1 s LYS 157 Ca 0.00 -2.07 0.03 0.00 -1.36 0.00 0.00 55.97 52.57 1wg1 s LYS 157 Cb 0.00 -0.95 0.21 0.00 -1.68 0.00 0.00 37.83 35.41 1wg1 s LYS 157 CO 0.00 -0.28 0.67 -0.25 -0.76 0.00 0.00 175.35 174.73 1wg1 n ASP 158 N -0.97 3.65 -4.55 2.83 9.92 -1.26 -2.72 116.55 123.46 1wg1 n ASP 158 Ca -0.06 -3.27 -0.56 0.00 -0.53 0.00 0.00 54.79 50.38 1wg1 n ASP 158 Cb 0.66 -0.83 -0.07 0.00 -0.64 0.00 0.00 41.12 40.24 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 1.72 0.87 -4.49 0.64 4.77 -1.23 -4.37 117.00 114.93 1wg1 n LEU 159 Ca 0.23 1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 56.94 1wg1 n LEU 159 Cb 0.37 -1.06 -0.11 0.00 -2.33 0.00 0.00 43.42 40.30 1wg1 n LEU 159 CO 0.35 -1.44 -0.12 -0.63 -1.33 0.00 0.00 177.39 174.22 1wg1 s ILE 160 N 0.36 5.12 -0.19 -0.08 1.01 0.90 0.75 121.20 129.08 1wg1 s ILE 160 Ca 0.88 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 61.03 1wg1 s ILE 160 Cb -1.12 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 37.61 1wg1 s ILE 160 CO 0.53 -0.10 0.09 -0.69 0.00 0.00 0.00 174.94 174.77 1wg1 s VAL 161 N 1.68 5.03 0.38 2.92 1.01 -1.26 -0.77 120.40 129.39 1wg1 s VAL 161 Ca 0.05 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1wg1 s VAL 161 Cb -0.18 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1wg1 s VAL 161 CO 0.09 0.45 0.20 -1.10 0.00 0.00 0.00 175.10 174.75 1wg1 s GLN 162 N 0.35 1.87 0.73 2.72 -0.21 -0.86 -4.81 119.66 119.45 1wg1 s GLN 162 Ca 0.05 -2.13 -0.11 0.00 0.02 0.00 0.00 55.36 53.20 1wg1 s GLN 162 Cb -0.12 -0.20 0.04 0.00 1.00 0.00 0.00 33.01 33.74 1wg1 s GLN 162 CO -0.01 -0.57 1.10 -0.51 -2.12 0.00 0.00 175.29 173.18 1wg1 s LEU 163 N -3.51 2.79 -0.13 2.90 2.01 -1.26 -0.10 118.68 121.38 1wg1 s LEU 163 Ca 0.30 0.92 -0.07 0.00 0.01 0.00 0.00 54.13 55.29 1wg1 s LEU 163 Cb 0.02 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 42.58 1wg1 s LEU 163 CO 0.20 -1.52 0.12 -1.10 1.01 0.00 0.00 176.35 175.06 1wg1 s GLN 164 N -5.39 3.50 0.68 1.70 -1.52 -0.96 -4.18 119.66 113.50 1wg1 s GLN 164 Ca 0.59 -0.19 -0.14 0.00 -1.95 0.00 0.00 55.36 53.68 1wg1 s GLN 164 Cb -0.11 -3.17 0.01 0.00 -0.22 0.00 0.00 33.01 29.52 1wg1 s GLN 164 CO 0.50 0.69 1.11 -1.25 -0.25 0.00 0.00 175.29 176.08 1wg1 s PRO 165 N -0.77 2.68 0.20 2.91 0.04 -1.26 -2.92 135.00 135.88 1wg1 s PRO 165 Ca 0.13 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1wg1 s PRO 165 Cb -0.12 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1wg1 s PRO 165 CO 0.03 -1.34 1.16 0.99 0.04 0.00 0.00 177.00 177.88 1wg1 s THR 166 N -2.47 3.61 0.63 1.26 2.01 -1.26 -4.94 115.64 114.47 1wg1 s THR 166 Ca 0.66 1.41 -0.11 0.00 0.31 0.00 0.00 61.69 63.96 1wg1 s THR 166 Cb -0.20 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 1wg1 s THR 166 CO 0.45 0.25 1.02 1.51 -0.69 0.00 0.00 174.62 177.16 1wg1 s ASP 167 N -0.10 6.04 0.03 3.53 1.47 -1.26 -5.09 116.67 121.29 1wg1 s ASP 167 Ca 0.51 1.30 0.02 0.00 1.18 0.00 0.00 52.55 55.56 1wg1 s ASP 167 Cb -0.32 -2.31 -0.02 0.00 -0.34 0.00 0.00 42.92 39.93 1wg1 s ASP 167 CO 0.37 -0.96 -0.08 0.00 0.68 0.00 0.00 175.17 175.19 1wg1 s ALA 168 N -3.18 0.62 -0.93 2.11 0.00 -1.26 -5.09 121.76 114.02 1wg1 s ALA 168 Ca 0.55 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 1wg1 s ALA 168 Cb -0.11 -0.03 0.23 0.00 0.00 0.00 0.00 23.12 23.21 1wg1 s ALA 168 CO 0.53 0.05 0.85 -0.11 0.00 0.00 0.00 175.76 177.08 1wg1 n LEU 169 N 1.94 4.44 -4.27 0.00 0.00 -1.26 -5.02 117.00 112.83 1wg1 n LEU 169 Ca -0.19 -5.13 -0.38 0.00 0.00 0.00 0.00 56.01 50.31 1wg1 n LEU 169 Cb 0.56 -1.15 -0.12 0.00 0.00 0.00 0.00 43.42 42.71 1wg1 n LEU 169 CO 0.22 1.55 -0.24 -0.22 0.00 0.00 0.00 177.39 178.70 1wg1 s LEU 170 N -1.44 4.42 0.02 -1.96 2.96 -1.26 -5.08 118.68 116.34 1wg1 s LEU 170 Ca 0.29 -1.19 0.07 0.00 -0.22 0.00 0.00 54.13 53.08 1wg1 s LEU 170 Cb -0.07 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1wg1 s LEU 170 CO -0.11 -0.35 -0.22 0.00 -1.32 0.00 0.00 176.35 174.34 1wg1 h SER 172 N 5.16 0.00 -2.93 0.00 4.64 -2.07 -3.47 113.55 114.88 1wg1 h SER 172 Ca -0.42 -0.45 -0.64 0.00 -0.47 0.00 0.00 61.79 59.80 1wg1 h SER 172 Cb 1.14 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 1wg1 h SER 172 CO 0.45 1.21 -0.53 -0.83 -0.87 0.00 0.00 176.83 176.27 1wg1 s GLY 173 N -4.56 2.11 -0.39 -0.77 0.00 -1.26 -5.05 107.32 97.41 1wg1 s GLY 173 Ca -0.23 -0.81 -0.28 0.00 0.00 0.00 0.00 44.72 43.40 1wg1 s GLY 173 CO 0.50 -0.70 1.72 2.56 0.00 0.00 0.00 173.10 177.18 1wg1 s PRO 174 N -1.90 3.29 -0.51 2.90 0.04 -1.26 -4.96 135.00 132.60 1wg1 s PRO 174 Ca 0.26 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 1wg1 s PRO 174 Cb -0.12 -4.19 0.03 0.00 0.04 0.00 0.00 34.50 30.26 1wg1 s PRO 174 CO 0.17 -1.91 1.03 -1.12 0.04 0.00 0.00 177.00 175.21 1wg1 s SER 175 N 5.90 6.48 -0.05 6.66 0.01 -1.26 -5.00 113.70 126.44 1wg1 s SER 175 Ca 0.74 0.09 -0.00 0.00 1.31 0.00 0.00 55.95 58.08 1wg1 s SER 175 Cb -0.19 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.58 1wg1 s SER 175 CO 0.32 -1.22 -0.00 -0.94 0.41 0.00 0.00 173.24 171.80 1wg1 s SER 176 N 2.57 1.07 0.00 2.44 1.04 -1.26 -5.27 113.70 114.29 1wg1 s SER 176 Ca 0.39 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1wg1 s SER 176 Cb -0.09 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1wg1 s SER 176 CO 0.26 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.95