#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 6.91 -0.10 1.61 0.15 -1.26 -4.97 113.70 116.04 1wg1 s SER 91 Ca 0.00 1.08 -0.03 0.00 0.70 0.00 0.00 55.95 57.70 1wg1 s SER 91 Cb 0.00 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 1wg1 s SER 91 CO 0.00 0.16 -0.11 -1.54 1.20 0.00 0.00 173.24 172.95 1wg1 n SER 92 N 2.53 1.54 -3.41 5.45 3.41 -1.26 -5.13 113.62 116.76 1wg1 n SER 92 Ca -0.09 0.06 -0.02 0.00 -0.26 0.00 0.00 58.87 58.56 1wg1 n SER 92 Cb 0.51 -0.24 0.02 0.00 -0.26 0.00 0.00 64.21 64.24 1wg1 n SER 92 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wg1 s GLY 93 N -5.08 0.11 -0.37 5.00 0.00 -1.26 -5.01 107.32 100.70 1wg1 s GLY 93 Ca -0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 1wg1 s GLY 93 CO 0.19 3.17 0.13 -1.35 0.00 0.00 0.00 173.10 175.23 1wg1 s SER 94 N -3.51 5.06 0.01 1.64 1.04 -1.26 -4.73 113.70 111.95 1wg1 s SER 94 Ca 0.24 -1.93 -0.25 0.00 0.48 0.00 0.00 55.95 54.49 1wg1 s SER 94 Cb -0.03 -1.75 -0.05 0.00 0.10 0.00 0.00 66.02 64.29 1wg1 s SER 94 CO 0.05 -0.45 0.77 -0.94 0.98 0.00 0.00 173.24 173.65 1wg1 s SER 95 N 1.49 7.16 0.00 7.02 1.04 -1.26 -4.27 113.70 124.88 1wg1 s SER 95 Ca 0.06 1.40 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1wg1 s SER 95 Cb -0.21 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1wg1 s SER 95 CO -0.05 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1wg1 n GLY 96 N 2.66 4.89 3.16 7.32 0.00 -1.26 -4.38 105.19 117.58 1wg1 n GLY 96 Ca -0.01 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.38 0.17 -0.05 -0.61 -4.36 0.52 -0.39 121.20 115.10 1wg1 s ILE 97 Ca 0.00 -1.42 -0.01 0.00 -0.26 0.00 0.00 60.65 58.96 1wg1 s ILE 97 Cb 0.00 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.28 1wg1 s ILE 97 CO 0.00 -0.79 0.01 -0.76 0.24 0.00 0.00 174.94 173.65 1wg1 s LEU 98 N -2.87 3.62 -0.70 0.37 1.43 -0.44 -1.68 118.68 118.42 1wg1 s LEU 98 Ca 0.06 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1wg1 s LEU 98 Cb 0.06 -1.93 0.18 0.00 0.03 0.00 0.00 46.19 44.53 1wg1 s LEU 98 CO -0.11 0.34 0.53 -0.69 0.23 0.00 0.00 176.35 176.65 1wg1 s VAL 99 N -0.98 3.84 0.40 -1.59 1.01 0.08 -1.92 120.40 121.23 1wg1 s VAL 99 Ca 0.16 -3.27 0.01 0.00 0.00 0.00 0.00 61.98 58.88 1wg1 s VAL 99 Cb -0.11 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1wg1 s VAL 99 CO 0.06 -0.94 0.61 -0.54 0.00 0.00 0.00 175.10 174.29 1wg1 s LYS 100 N -0.47 3.25 -0.49 2.72 1.02 -0.27 -1.88 119.74 123.62 1wg1 s LYS 100 Ca 0.20 -0.43 -0.02 0.00 0.02 0.00 0.00 55.97 55.73 1wg1 s LYS 100 Cb -0.16 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1wg1 s LYS 100 CO -0.06 -0.08 0.42 -1.71 -0.92 0.00 0.00 175.35 173.00 1wg1 n ASN 101 N -1.94 -3.13 -4.88 2.83 5.15 -1.24 -0.42 115.26 111.63 1wg1 n ASN 101 Ca -0.01 -0.21 -0.30 0.00 -0.60 0.00 0.00 54.58 53.46 1wg1 n ASN 101 Cb 0.57 -2.21 -0.02 0.00 -0.53 0.00 0.00 39.78 37.59 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 -3.45 3.68 0.00 1.20 1.43 -1.04 -4.29 118.68 116.21 1wg1 s LEU 102 Ca 0.15 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 1wg1 s LEU 102 Cb -0.07 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.05 1wg1 s LEU 102 CO 0.27 -0.53 0.00 -0.81 0.23 0.00 0.00 176.35 175.52 1wg1 n PRO 103 N -1.75 -0.18 -0.01 1.29 -0.04 -1.26 -4.87 135.00 128.18 1wg1 n PRO 103 Ca 0.03 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 1wg1 n PRO 103 Cb 0.54 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.86 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 0.05 -0.75 0.54 3.07 -1.98 -3.36 115.11 112.68 1wg1 h GLN 104 Ca 0.00 -0.09 -0.48 0.00 0.09 0.00 0.00 58.65 58.18 1wg1 h GLN 104 Cb 0.00 0.03 -0.27 0.00 0.08 0.00 0.00 27.48 27.32 1wg1 h GLN 104 CO 0.00 0.64 0.18 -0.40 0.09 0.00 0.00 178.83 179.34 1wg1 n ASP 105 N -3.14 4.86 -4.72 0.06 5.75 -1.26 -5.03 116.55 113.07 1wg1 n ASP 105 Ca -0.19 -3.75 -0.33 0.00 -0.01 0.00 0.00 54.79 50.51 1wg1 n ASP 105 Cb 1.05 -0.71 0.11 0.00 -1.03 0.00 0.00 41.12 40.53 1wg1 n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wg1 s SER 106 N -2.35 4.01 0.15 -1.12 0.15 -1.26 -5.05 113.70 108.24 1wg1 s SER 106 Ca 0.55 2.22 -0.24 0.00 0.70 0.00 0.00 55.95 59.18 1wg1 s SER 106 Cb 0.45 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 62.26 1wg1 s SER 106 CO 0.02 -2.38 0.69 0.20 1.20 0.00 0.00 173.24 172.98 1wg1 s ASN 107 N -2.39 -0.46 -0.02 5.45 0.01 -1.26 -4.96 114.94 111.31 1wg1 s ASN 107 Ca 0.70 -0.13 -0.15 0.00 -0.71 0.00 0.00 52.86 52.57 1wg1 s ASN 107 Cb -0.25 0.58 -0.08 0.00 0.41 0.00 0.00 41.25 41.90 1wg1 s ASN 107 CO 0.49 -0.97 0.67 0.00 -1.51 0.00 0.00 177.10 175.78 1wg1 n GLN 109 N -4.73 -0.04 0.10 0.00 -0.06 -1.26 0.15 117.38 111.54 1wg1 n GLN 109 Ca -0.07 1.00 -0.13 0.00 -2.00 0.00 0.00 57.00 55.80 1wg1 n GLN 109 Cb 0.21 -1.77 -0.08 0.00 -4.06 0.00 0.00 30.24 24.54 1wg1 n GLN 109 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1wg1 h GLU 110 N 0.00 -0.25 0.32 3.69 4.57 -1.99 -3.09 114.58 117.84 1wg1 h GLU 110 Ca 0.59 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.77 1wg1 h GLU 110 Cb 1.53 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 1wg1 h GLU 110 CO -0.57 0.05 -0.15 0.28 -1.18 0.00 0.00 179.01 177.44 1wg1 h VAL 111 N -0.54 0.70 -0.89 0.32 2.07 0.15 -2.33 116.25 115.72 1wg1 h VAL 111 Ca -0.03 -0.11 0.13 0.00 0.82 0.00 0.00 66.70 67.52 1wg1 h VAL 111 Cb 0.41 0.76 -0.14 0.00 -1.52 0.00 0.00 31.29 30.80 1wg1 h VAL 111 CO 0.04 0.02 -0.36 1.57 0.02 0.00 0.00 177.57 178.87 1wg1 n HIS 112 N -5.25 -0.01 -0.26 1.57 -0.00 0.42 0.11 115.22 111.80 1wg1 n HIS 112 Ca -0.10 1.10 -0.07 0.00 -0.00 0.00 0.00 57.72 58.65 1wg1 n HIS 112 Cb 0.21 -0.81 0.05 0.00 -0.00 0.00 0.00 29.99 29.44 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 0.99 -0.68 0.26 3.58 -1.44 -2.29 116.42 116.83 1wg1 h ASP 113 Ca 0.30 -0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.62 1wg1 h ASP 113 Cb 0.52 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.26 1wg1 h ASP 113 CO -0.88 0.90 0.39 0.25 -2.88 0.00 0.00 179.24 177.02 1wg1 h LEU 114 N 1.02 0.59 -3.56 2.28 5.85 0.14 -1.15 115.31 120.49 1wg1 h LEU 114 Ca 0.24 0.02 -0.39 0.00 0.84 0.00 0.00 57.88 58.59 1wg1 h LEU 114 Cb 0.22 -0.09 -0.23 0.00 0.37 0.00 0.00 40.66 40.93 1wg1 h LEU 114 CO -0.02 0.39 0.50 0.18 -0.34 0.00 0.00 178.44 179.14 1wg1 n LEU 115 N -4.76 5.92 -0.32 2.25 4.77 0.51 -4.57 117.00 120.79 1wg1 n LEU 115 Ca 0.08 -3.14 0.13 0.00 -0.03 0.00 0.00 56.01 53.06 1wg1 n LEU 115 Cb 0.16 -0.76 0.31 0.00 -2.33 0.00 0.00 43.42 40.80 1wg1 n LEU 115 CO 0.30 0.92 1.11 0.07 -1.33 0.00 0.00 177.39 178.45 1wg1 h LYS 116 N 0.93 0.53 -0.69 3.23 2.10 -0.63 -0.91 116.57 121.13 1wg1 h LYS 116 Ca 0.48 -0.03 0.13 0.00 -2.00 0.00 0.00 60.65 59.23 1wg1 h LYS 116 Cb 2.45 -0.12 -0.13 0.00 -0.90 0.00 0.00 32.23 33.53 1wg1 h LYS 116 CO 0.86 0.35 -0.22 0.22 -2.00 0.00 0.00 179.45 178.65 1wg1 h ASP 117 N 0.55 -0.81 -2.90 7.07 3.58 -1.84 -3.40 116.42 118.67 1wg1 h ASP 117 Ca 0.57 0.22 -0.50 0.00 0.42 0.00 0.00 57.03 57.74 1wg1 h ASP 117 Cb 1.00 0.49 -0.00 0.00 1.72 0.00 0.00 39.33 42.53 1wg1 h ASP 117 CO -0.46 -0.26 -0.22 -0.31 -2.88 0.00 0.00 179.24 175.11 1wg1 s TYR 118 N -6.17 3.49 0.08 0.28 1.51 -0.35 -5.08 117.35 111.11 1wg1 s TYR 118 Ca -0.14 0.41 -0.26 0.00 -1.01 0.00 0.00 57.07 56.07 1wg1 s TYR 118 Cb 0.20 -1.93 -0.06 0.00 -0.11 0.00 0.00 41.96 40.06 1wg1 s TYR 118 CO 0.73 0.21 0.79 -0.51 -1.11 0.00 0.00 175.55 175.66 1wg1 s ASP 119 N -3.60 7.28 -0.23 2.29 1.01 -1.26 -4.91 116.67 117.25 1wg1 s ASP 119 Ca 0.40 1.53 -0.06 0.00 0.71 0.00 0.00 52.55 55.13 1wg1 s ASP 119 Cb -0.10 -2.49 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1wg1 s ASP 119 CO 0.33 0.05 0.01 -0.76 0.21 0.00 0.00 175.17 175.01 1wg1 s LEU 120 N -0.27 3.18 -0.16 1.23 1.02 -1.26 -3.71 118.68 118.71 1wg1 s LEU 120 Ca 0.39 -0.29 -0.13 0.00 0.02 0.00 0.00 54.13 54.12 1wg1 s LEU 120 Cb -0.21 -1.83 -0.09 0.00 0.02 0.00 0.00 46.19 44.07 1wg1 s LEU 120 CO 0.24 -0.02 0.03 0.11 0.02 0.00 0.00 176.35 176.74 1wg1 h LYS 121 N 8.10 0.00 -4.13 1.70 1.79 -1.59 -3.49 116.57 118.96 1wg1 h LYS 121 Ca -0.39 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.78 1wg1 h LYS 121 Cb 1.17 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 31.53 1wg1 h LYS 121 CO 0.59 0.39 -0.74 -0.47 -1.08 0.00 0.00 179.45 178.14 1wg1 s TYR 122 N -2.20 0.34 -0.06 -1.35 5.04 -1.25 -5.01 117.35 112.85 1wg1 s TYR 122 Ca -0.18 -0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 1wg1 s TYR 122 Cb 0.03 -0.22 0.02 0.00 0.35 0.00 0.00 41.96 42.14 1wg1 s TYR 122 CO 0.35 -0.01 -0.05 0.00 -1.34 0.00 0.00 175.55 174.49 1wg1 s TYR 124 N 1.16 2.97 -0.14 0.00 6.14 -0.82 -4.94 117.35 121.72 1wg1 s TYR 124 Ca -0.07 -2.46 -0.21 0.00 0.64 0.00 0.00 57.07 54.97 1wg1 s TYR 124 Cb -0.14 -2.38 -0.03 0.00 0.42 0.00 0.00 41.96 39.83 1wg1 s TYR 124 CO -0.01 -0.91 0.60 0.08 0.64 0.00 0.00 175.55 175.95 1wg1 s VAL 125 N 1.18 5.08 -0.41 3.14 1.01 -1.26 -1.33 120.40 127.80 1wg1 s VAL 125 Ca 0.08 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.29 1wg1 s VAL 125 Cb -0.18 -3.93 0.11 0.00 0.00 0.00 0.00 36.38 32.37 1wg1 s VAL 125 CO -0.13 0.21 0.14 -1.81 0.00 0.00 0.00 175.10 173.51 1wg1 s ASP 126 N 0.93 4.58 0.22 3.32 1.01 0.62 -4.97 116.67 122.37 1wg1 s ASP 126 Ca 0.30 -2.52 -0.09 0.00 0.71 0.00 0.00 52.55 50.96 1wg1 s ASP 126 Cb -0.16 -1.63 0.22 0.00 1.01 0.00 0.00 42.92 42.35 1wg1 s ASP 126 CO 0.12 -0.32 1.86 0.03 0.21 0.00 0.00 175.17 177.07 1wg1 h ARG 127 N 7.15 0.90 -1.00 8.23 -0.00 -1.93 1.14 114.38 128.87 1wg1 h ARG 127 Ca -0.06 -0.05 0.20 0.00 -0.50 0.00 0.00 59.98 59.57 1wg1 h ARG 127 Cb 0.97 -0.20 -0.11 0.00 0.00 0.00 0.00 29.97 30.63 1wg1 h ARG 127 CO 0.59 0.59 0.61 -0.97 0.00 0.00 0.00 179.97 180.80 1wg1 h ASN 128 N 0.92 0.75 -0.21 7.04 -0.73 -1.96 -0.17 115.58 121.22 1wg1 h ASN 128 Ca 0.30 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.57 1wg1 h ASN 128 Cb 0.02 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.58 1wg1 h ASN 128 CO -0.11 0.25 0.00 0.29 -0.37 0.00 0.00 177.43 177.48 1wg1 n LYS 129 N -4.76 2.64 -3.87 6.67 5.02 -0.77 -4.99 118.16 118.10 1wg1 n LYS 129 Ca 0.24 -2.41 -0.27 0.00 -2.02 0.00 0.00 58.31 53.85 1wg1 n LYS 129 Cb 0.61 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.71 -3.78 1.97 3.00 0.38 -4.86 116.66 112.29 1wg1 n ARG 130 Ca 0.15 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.85 57.82 1wg1 n ARG 130 Cb 0.64 -1.91 -0.14 0.00 0.00 0.00 0.00 32.46 31.04 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 -0.04 -0.13 0.55 2.01 -0.55 -2.49 115.64 111.02 1wg1 s THR 131 Ca 0.17 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.33 1wg1 s THR 131 Cb -0.10 -0.17 0.01 0.00 0.01 0.00 0.00 72.50 72.26 1wg1 s THR 131 CO 0.68 0.06 -0.22 0.00 -0.69 0.00 0.00 174.62 174.44 1wg1 s ALA 132 N 0.80 2.24 -0.38 7.40 0.00 -0.79 -0.28 121.76 130.76 1wg1 s ALA 132 Ca -0.06 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.65 1wg1 s ALA 132 Cb -0.09 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.09 1wg1 s ALA 132 CO -0.03 0.06 0.54 -0.06 0.00 0.00 0.00 175.76 176.26 1wg1 s PHE 133 N 0.68 3.15 -0.22 0.00 0.08 -0.44 -0.74 117.98 120.49 1wg1 s PHE 133 Ca -0.10 0.07 -0.07 0.00 0.12 0.00 0.00 56.93 56.95 1wg1 s PHE 133 Cb -0.16 -3.02 -0.03 0.00 -0.57 0.00 0.00 43.02 39.24 1wg1 s PHE 133 CO 0.01 -0.63 0.05 0.08 -0.10 0.00 0.00 175.22 174.63 1wg1 s VAL 134 N 2.47 4.32 -0.49 -0.44 1.01 -0.68 -1.95 120.40 124.64 1wg1 s VAL 134 Ca 0.19 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 1wg1 s VAL 134 Cb -0.15 -2.99 0.10 0.00 0.00 0.00 0.00 36.38 33.34 1wg1 s VAL 134 CO 0.15 0.39 0.42 -0.89 0.00 0.00 0.00 175.10 175.16 1wg1 s THR 135 N 1.16 5.06 0.94 3.92 2.01 -0.63 -0.36 115.64 127.75 1wg1 s THR 135 Ca 0.04 -1.30 -0.14 0.00 0.31 0.00 0.00 61.69 60.60 1wg1 s THR 135 Cb -0.14 -4.12 0.16 0.00 0.01 0.00 0.00 72.50 68.40 1wg1 s THR 135 CO 0.03 -0.69 1.18 -0.76 -0.69 0.00 0.00 174.62 173.69 1wg1 s LEU 136 N 1.59 2.08 -0.06 4.42 1.43 -1.26 -1.51 118.68 125.36 1wg1 s LEU 136 Ca 0.04 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.76 1wg1 s LEU 136 Cb -0.26 -2.95 -0.07 0.00 0.03 0.00 0.00 46.19 42.93 1wg1 s LEU 136 CO 0.04 -2.68 0.48 0.25 0.23 0.00 0.00 176.35 174.67 1wg1 h LEU 137 N -1.59 -0.28 -9.27 1.79 5.85 -1.92 -3.40 115.31 106.49 1wg1 h LEU 137 Ca -0.48 -0.06 -0.61 0.00 0.84 0.00 0.00 57.88 57.57 1wg1 h LEU 137 Cb 1.31 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 42.27 1wg1 h LEU 137 CO 0.54 0.20 -0.74 0.20 -0.34 0.00 0.00 178.44 178.30 1wg1 s ASN 138 N -5.21 3.88 0.05 1.25 0.01 -1.26 -4.69 114.94 108.96 1wg1 s ASN 138 Ca -0.06 -0.84 -0.22 0.00 -0.71 0.00 0.00 52.86 51.03 1wg1 s ASN 138 Cb 0.00 -0.48 -0.14 0.00 0.41 0.00 0.00 41.25 41.05 1wg1 s ASN 138 CO 0.21 0.06 1.47 1.23 -1.51 0.00 0.00 177.10 178.56 1wg1 h GLY 139 N 2.48 0.21 -0.68 0.66 0.00 -1.85 -3.13 103.07 100.76 1wg1 h GLY 139 Ca -0.43 -0.15 0.23 0.00 0.00 0.00 0.00 47.33 46.97 1wg1 h GLY 139 CO 0.57 0.14 0.05 0.83 0.00 0.00 0.00 176.54 178.13 1wg1 h GLU 140 N -0.08 0.07 -0.57 4.80 5.08 -1.96 0.40 114.58 122.31 1wg1 h GLU 140 Ca 0.03 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1wg1 h GLU 140 Cb 0.36 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 1wg1 h GLU 140 CO 0.01 0.05 0.12 1.96 -1.00 0.00 0.00 179.01 180.14 1wg1 h GLN 141 N 0.08 0.24 -0.04 2.33 4.20 -1.97 -2.28 115.11 117.67 1wg1 h GLN 141 Ca 0.53 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.22 1wg1 h GLN 141 Cb 1.04 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 1wg1 h GLN 141 CO -0.79 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 177.53 1wg1 h ALA 142 N 1.46 0.05 -0.74 3.87 0.00 -0.34 -0.85 119.26 122.69 1wg1 h ALA 142 Ca 0.30 -0.16 0.30 0.00 0.00 0.00 0.00 54.91 55.35 1wg1 h ALA 142 Cb 0.43 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.08 1wg1 h ALA 142 CO -0.39 -0.29 0.36 1.04 0.00 0.00 0.00 179.25 179.97 1wg1 n GLN 143 N -4.90 -0.05 -0.10 0.00 1.13 -0.32 0.17 117.38 113.32 1wg1 n GLN 143 Ca -0.07 1.04 -0.18 0.00 -1.94 0.00 0.00 57.00 55.85 1wg1 n GLN 143 Cb 0.18 -1.84 -0.08 0.00 0.11 0.00 0.00 30.24 28.61 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 -4.72 1.86 -0.23 1.08 3.02 -1.16 -4.16 115.26 110.94 1wg1 n ASN 144 Ca 0.27 0.47 0.32 0.00 -0.03 0.00 0.00 54.58 55.60 1wg1 n ASN 144 Cb 0.91 -0.92 0.65 0.00 -0.61 0.00 0.00 39.78 39.82 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 -0.71 2.92 0.28 5.41 0.00 0.52 0.14 119.26 127.83 1wg1 h ALA 145 Ca -0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wg1 h ALA 145 Cb 1.12 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1wg1 h ALA 145 CO -0.17 -1.51 -0.14 0.82 0.00 0.00 0.00 179.25 178.25 1wg1 h ILE 146 N 0.00 0.00 -0.27 0.00 2.04 -0.43 -2.27 117.51 116.58 1wg1 h ILE 146 Ca 0.50 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 66.26 1wg1 h ILE 146 Cb 2.43 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1wg1 h ILE 146 CO -0.01 0.00 -0.14 1.56 0.00 0.00 0.00 178.15 179.56 1wg1 h GLN 147 N -0.40 0.57 -0.93 2.37 4.20 -1.47 0.59 115.11 120.04 1wg1 h GLN 147 Ca -0.04 -0.25 0.26 0.00 0.06 0.00 0.00 58.65 58.68 1wg1 h GLN 147 Cb 0.29 -0.01 -0.14 0.00 0.30 0.00 0.00 27.48 27.92 1wg1 h GLN 147 CO 0.06 0.82 0.37 0.52 -0.67 0.00 0.00 178.83 179.94 1wg1 h MET 148 N 0.30 0.27 0.03 1.46 2.86 -0.85 -1.12 114.93 117.88 1wg1 h MET 148 Ca 0.06 -0.02 -0.34 0.00 -2.06 0.00 0.00 59.70 57.34 1wg1 h MET 148 Cb 0.66 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1wg1 h MET 148 CO 0.04 0.18 -2.02 1.19 1.06 0.00 0.00 176.91 177.37 1wg1 n PHE 149 N -5.14 0.73 -1.37 -0.22 3.01 -0.85 -4.90 117.46 108.72 1wg1 n PHE 149 Ca 0.25 0.22 -0.54 0.00 1.01 0.00 0.00 57.45 58.39 1wg1 n PHE 149 Cb 0.78 -1.12 -0.08 0.00 -0.01 0.00 0.00 39.48 39.05 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 -3.11 0.99 -3.20 1.38 -0.00 0.20 0.08 115.22 111.57 1wg1 n HIS 150 Ca -0.27 0.94 -0.15 0.00 0.46 0.00 0.00 57.72 58.69 1wg1 n HIS 150 Cb 1.07 -1.83 0.05 0.00 -0.12 0.00 0.00 29.99 29.16 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 2.27 -5.16 -2.33 1.57 1.13 -0.78 -4.94 117.38 109.15 1wg1 n GLN 151 Ca 0.21 0.54 -0.28 0.00 -1.94 0.00 0.00 57.00 55.53 1wg1 n GLN 151 Cb 0.01 -4.71 0.02 0.00 0.11 0.00 0.00 30.24 25.67 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 -3.21 3.46 -0.45 1.08 5.04 0.11 -4.89 117.35 118.49 1wg1 s TYR 152 Ca 0.35 0.88 -0.24 0.00 -2.44 0.00 0.00 57.07 55.62 1wg1 s TYR 152 Cb -0.16 -2.60 0.03 0.00 0.35 0.00 0.00 41.96 39.58 1wg1 s TYR 152 CO 0.48 -0.63 0.87 0.45 -1.34 0.00 0.00 175.55 175.38 1wg1 s SER 153 N -4.21 6.48 -0.23 4.32 0.15 -1.26 -3.78 113.70 115.16 1wg1 s SER 153 Ca 0.52 0.06 -0.05 0.00 0.70 0.00 0.00 55.95 57.18 1wg1 s SER 153 Cb -0.11 -2.42 0.12 0.00 -1.71 0.00 0.00 66.02 61.90 1wg1 s SER 153 CO 0.48 -0.98 0.42 0.12 1.20 0.00 0.00 173.24 174.47 1wg1 s PHE 154 N 3.55 -0.89 -1.55 3.44 5.36 -1.19 -4.91 117.98 121.79 1wg1 s PHE 154 Ca 0.34 1.25 -0.14 0.00 -0.96 0.00 0.00 56.93 57.42 1wg1 s PHE 154 Cb -0.11 0.21 0.09 0.00 -0.34 0.00 0.00 43.02 42.87 1wg1 s PHE 154 CO 0.24 -0.63 0.95 0.54 -1.46 0.00 0.00 175.22 174.87 1wg1 n ARG 155 N 5.38 -5.24 -1.99 10.12 5.12 -1.26 -0.21 116.66 128.59 1wg1 n ARG 155 Ca -0.06 0.57 -0.19 0.00 -1.93 0.00 0.00 57.85 56.24 1wg1 n ARG 155 Cb 0.50 -5.43 -0.05 0.00 -1.16 0.00 0.00 32.46 26.32 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 -1.66 0.68 3.58 -0.13 0.00 -1.26 -4.96 105.19 101.43 1wg1 n GLY 156 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.35 1.89 -0.85 1.61 -0.14 0.71 -5.08 119.74 113.53 1wg1 s LYS 157 Ca 0.00 -1.96 0.01 0.00 -1.36 0.00 0.00 55.97 52.66 1wg1 s LYS 157 Cb 0.00 -1.72 0.28 0.00 -1.68 0.00 0.00 37.83 34.72 1wg1 s LYS 157 CO 0.00 0.09 1.12 -0.25 -0.76 0.00 0.00 175.35 175.55 1wg1 n ASP 158 N -0.86 5.12 -4.16 2.83 9.92 -1.26 -3.14 116.55 125.00 1wg1 n ASP 158 Ca -0.05 -3.45 -0.57 0.00 -0.53 0.00 0.00 54.79 50.19 1wg1 n ASP 158 Cb 0.64 -0.96 -0.08 0.00 -0.64 0.00 0.00 41.12 40.09 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 1.00 0.49 -4.38 0.64 4.77 -1.25 -4.49 117.00 113.78 1wg1 n LEU 159 Ca 0.29 1.06 -0.43 0.00 -0.03 0.00 0.00 56.01 56.89 1wg1 n LEU 159 Cb 0.37 -0.81 -0.09 0.00 -2.33 0.00 0.00 43.42 40.56 1wg1 n LEU 159 CO 0.56 -1.28 -0.03 -0.63 -1.33 0.00 0.00 177.39 174.68 1wg1 s ILE 160 N 1.24 5.03 -0.11 -0.08 1.01 0.44 -1.87 121.20 126.86 1wg1 s ILE 160 Ca 0.88 -1.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 1wg1 s ILE 160 Cb -1.24 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 37.22 1wg1 s ILE 160 CO 0.62 -0.49 0.30 -0.69 0.00 0.00 0.00 174.94 174.69 1wg1 s VAL 161 N 1.61 5.27 0.31 2.92 1.01 -1.26 -1.12 120.40 129.14 1wg1 s VAL 161 Ca 0.04 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.63 1wg1 s VAL 161 Cb -0.23 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1wg1 s VAL 161 CO 0.07 0.47 0.10 -1.10 0.00 0.00 0.00 175.10 174.64 1wg1 s GLN 162 N -0.15 1.61 -0.18 2.72 -0.21 -0.81 -4.80 119.66 117.83 1wg1 s GLN 162 Ca 0.18 -1.91 -0.14 0.00 0.02 0.00 0.00 55.36 53.51 1wg1 s GLN 162 Cb -0.14 -0.49 -0.04 0.00 1.00 0.00 0.00 33.01 33.34 1wg1 s GLN 162 CO 0.06 -0.32 0.33 -1.17 -2.12 0.00 0.00 175.29 172.07 1wg1 s LEU 163 N -3.43 4.20 0.38 2.90 2.96 -1.26 -1.32 118.68 123.11 1wg1 s LEU 163 Ca 0.35 0.49 -0.28 0.00 -0.22 0.00 0.00 54.13 54.46 1wg1 s LEU 163 Cb 0.07 -2.41 -0.11 0.00 0.50 0.00 0.00 46.19 44.23 1wg1 s LEU 163 CO 0.15 0.03 1.49 0.00 -1.32 0.00 0.00 176.35 176.69 1wg1 n GLN 164 N 3.98 2.65 -1.18 1.98 1.13 0.48 -4.83 117.38 121.60 1wg1 n GLN 164 Ca -0.11 0.93 -0.29 0.00 -1.94 0.00 0.00 57.00 55.59 1wg1 n GLN 164 Cb 0.52 -2.67 0.16 0.00 0.11 0.00 0.00 30.24 28.36 1wg1 n GLN 164 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1wg1 s PRO 165 N -2.13 0.73 -0.02 -1.09 0.04 -1.26 -4.91 135.00 126.36 1wg1 s PRO 165 Ca 0.54 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1wg1 s PRO 165 Cb -0.47 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.33 1wg1 s PRO 165 CO 0.64 -2.55 0.00 0.99 0.04 0.00 0.00 177.00 176.11 1wg1 s THR 166 N -2.95 0.13 0.04 1.26 2.01 -1.26 -5.04 115.64 109.83 1wg1 s THR 166 Ca 0.65 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 62.44 1wg1 s THR 166 Cb -0.18 -0.22 -0.17 0.00 0.01 0.00 0.00 72.50 71.94 1wg1 s THR 166 CO 0.57 0.12 1.45 -0.78 -0.69 0.00 0.00 174.62 175.29 1wg1 h ASP 167 N 7.08 -0.52 -1.54 3.53 1.82 -2.05 -3.42 116.42 121.32 1wg1 h ASP 167 Ca -0.41 -0.05 -0.64 0.00 -0.39 0.00 0.00 57.03 55.53 1wg1 h ASP 167 Cb 1.14 0.14 -0.00 0.00 0.68 0.00 0.00 39.33 41.28 1wg1 h ASP 167 CO 0.48 -0.26 1.33 0.00 -1.61 0.00 0.00 179.24 179.18 1wg1 n ALA 168 N -2.45 1.12 -3.35 -0.78 0.00 -1.26 -4.92 120.51 108.86 1wg1 n ALA 168 Ca -0.11 0.01 -0.39 0.00 0.00 0.00 0.00 53.44 52.95 1wg1 n ALA 168 Cb 0.29 -2.60 -0.11 0.00 0.00 0.00 0.00 19.45 17.03 1wg1 n ALA 168 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wg1 s LEU 169 N 6.53 4.99 -0.23 0.00 2.96 -1.26 -5.04 118.68 126.63 1wg1 s LEU 169 Ca 1.03 -1.51 -0.27 0.00 -0.22 0.00 0.00 54.13 53.16 1wg1 s LEU 169 Cb -0.71 -1.94 0.10 0.00 0.50 0.00 0.00 46.19 44.14 1wg1 s LEU 169 CO 0.48 -0.50 0.91 -1.48 -1.32 0.00 0.00 176.35 174.44 1wg1 s LEU 170 N 1.38 -0.53 0.57 -0.68 2.34 -1.26 -5.17 118.68 115.33 1wg1 s LEU 170 Ca 0.03 0.90 -0.16 0.00 0.06 0.00 0.00 54.13 54.96 1wg1 s LEU 170 Cb -0.22 2.09 -0.05 0.00 -0.56 0.00 0.00 46.19 47.45 1wg1 s LEU 170 CO 0.01 -0.26 1.03 0.00 -1.06 0.00 0.00 176.35 176.07 1wg1 n SER 172 N -1.95 2.66 0.00 0.00 7.64 -1.26 -5.16 113.62 115.55 1wg1 n SER 172 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1wg1 n SER 172 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1wg1 n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg1 n GLY 173 N 3.25 0.88 0.00 0.23 0.00 -1.26 -4.83 105.19 103.46 1wg1 n GLY 173 Ca 0.00 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 0.23 0.37 1.61 -0.04 -1.26 -3.54 135.00 132.37 1wg1 n PRO 174 Ca 0.00 0.14 -0.15 0.00 -0.04 0.00 0.00 63.50 63.45 1wg1 n PRO 174 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1wg1 n PRO 174 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wg1 h SER 175 N 0.00 -0.81 -1.93 3.54 0.02 -2.05 -3.41 113.55 108.91 1wg1 h SER 175 Ca 0.00 0.03 -0.60 0.00 -0.84 0.00 0.00 61.79 60.38 1wg1 h SER 175 Cb 0.13 0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.89 1wg1 h SER 175 CO 0.00 -0.51 1.30 -1.54 -1.14 0.00 0.00 176.83 174.94 1wg1 n SER 176 N -5.01 3.33 0.00 3.07 3.41 -1.23 -5.20 113.62 111.99 1wg1 n SER 176 Ca -0.12 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1wg1 n SER 176 Cb 0.38 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1wg1 n SER 176 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49