#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 6.22 0.14 1.61 0.01 -1.26 -5.04 113.70 115.37 1wg1 s SER 91 Ca 0.00 0.04 -0.31 0.00 1.31 0.00 0.00 55.95 56.98 1wg1 s SER 91 Cb 0.00 -2.21 -0.10 0.00 0.21 0.00 0.00 66.02 63.93 1wg1 s SER 91 CO 0.00 -0.27 1.66 -0.55 0.41 0.00 0.00 173.24 174.49 1wg1 s SER 92 N 1.70 6.53 -0.47 2.44 0.15 -1.26 -4.95 113.70 117.85 1wg1 s SER 92 Ca 0.14 2.64 0.08 0.00 0.70 0.00 0.00 55.95 59.51 1wg1 s SER 92 Cb -0.16 -2.58 0.31 0.00 -1.71 0.00 0.00 66.02 61.88 1wg1 s SER 92 CO 0.11 -0.89 0.73 0.61 1.20 0.00 0.00 173.24 175.00 1wg1 n GLY 93 N 3.94 4.09 3.41 9.45 0.00 -1.26 -4.44 105.19 120.37 1wg1 n GLY 93 Ca 0.15 -2.09 -0.45 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.38 6.71 -0.10 1.61 1.04 -1.26 -4.49 113.70 114.82 1wg1 s SER 94 Ca 0.41 -2.35 -0.17 0.00 0.48 0.00 0.00 55.95 54.32 1wg1 s SER 94 Cb 0.26 -2.33 -0.05 0.00 0.10 0.00 0.00 66.02 64.00 1wg1 s SER 94 CO -0.09 -0.86 0.43 -0.94 0.98 0.00 0.00 173.24 172.76 1wg1 s SER 95 N 3.02 6.67 0.00 7.02 1.04 -1.26 -3.99 113.70 126.19 1wg1 s SER 95 Ca 0.28 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1wg1 s SER 95 Cb -0.07 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1wg1 s SER 95 CO -0.09 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1wg1 n GLY 96 N 3.01 3.54 3.39 7.32 0.00 -1.26 -4.74 105.19 116.45 1wg1 n GLY 96 Ca -0.09 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 2.05 -0.12 -0.61 -4.36 0.19 -3.12 121.20 115.22 1wg1 s ILE 97 Ca 0.00 -2.21 -0.02 0.00 -0.26 0.00 0.00 60.65 58.16 1wg1 s ILE 97 Cb 0.00 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 1wg1 s ILE 97 CO 0.00 -0.44 -0.05 -0.76 0.24 0.00 0.00 174.94 173.92 1wg1 s LEU 98 N -3.21 3.20 -0.60 0.37 1.43 0.62 -2.09 118.68 118.39 1wg1 s LEU 98 Ca 0.24 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 1wg1 s LEU 98 Cb -0.04 -1.74 0.15 0.00 0.03 0.00 0.00 46.19 44.60 1wg1 s LEU 98 CO 0.10 0.24 0.50 -0.69 0.23 0.00 0.00 176.35 176.72 1wg1 s VAL 99 N -0.05 4.65 0.25 -1.59 1.01 -0.17 -2.09 120.40 122.40 1wg1 s VAL 99 Ca 0.01 -2.13 0.06 0.00 0.00 0.00 0.00 61.98 59.92 1wg1 s VAL 99 Cb -0.13 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1wg1 s VAL 99 CO 0.03 -0.88 0.26 -0.54 0.00 0.00 0.00 175.10 173.97 1wg1 s LYS 100 N 0.83 3.11 -0.43 2.72 1.02 -0.12 -1.90 119.74 124.96 1wg1 s LYS 100 Ca 0.10 -0.94 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 1wg1 s LYS 100 Cb -0.22 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1wg1 s LYS 100 CO -0.03 0.41 0.37 -1.71 -0.92 0.00 0.00 175.35 173.47 1wg1 n ASN 101 N -1.25 -2.47 -4.90 2.83 5.15 -1.25 -0.53 115.26 112.83 1wg1 n ASN 101 Ca -0.08 -0.21 -0.28 0.00 -0.60 0.00 0.00 54.58 53.41 1wg1 n ASN 101 Cb 0.58 -2.09 -0.02 0.00 -0.53 0.00 0.00 39.78 37.71 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 -3.41 3.89 0.00 1.20 1.43 -1.18 -4.41 118.68 116.21 1wg1 s LEU 102 Ca 0.06 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1wg1 s LEU 102 Cb -0.03 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1wg1 s LEU 102 CO 0.25 -0.35 0.00 -0.81 0.23 0.00 0.00 176.35 175.68 1wg1 n PRO 103 N -1.39 -0.81 0.00 1.29 -0.04 -1.26 -4.94 135.00 127.84 1wg1 n PRO 103 Ca -0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1wg1 n PRO 103 Cb 0.54 0.00 0.30 0.00 -0.04 0.00 0.00 33.50 34.30 1wg1 n PRO 103 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wg1 n GLN 104 N -1.35 0.03 -0.84 0.54 0.00 -1.26 -3.87 117.38 110.62 1wg1 n GLN 104 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 57.00 57.03 1wg1 n GLN 104 Cb 0.00 -1.50 0.16 0.00 0.00 0.00 0.00 30.24 28.90 1wg1 n GLN 104 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1wg1 n ASP 105 N -1.47 1.64 -4.77 2.61 9.92 -1.26 -5.07 116.55 118.15 1wg1 n ASP 105 Ca 0.06 -3.49 -0.39 0.00 -0.53 0.00 0.00 54.79 50.44 1wg1 n ASP 105 Cb 0.34 -0.48 -0.02 0.00 -0.64 0.00 0.00 41.12 40.32 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 -2.99 6.50 0.19 -2.24 0.15 -1.25 -5.03 113.70 109.02 1wg1 s SER 106 Ca 0.37 2.49 -0.20 0.00 0.70 0.00 0.00 55.95 59.31 1wg1 s SER 106 Cb 0.37 -2.63 0.04 0.00 -1.71 0.00 0.00 66.02 62.10 1wg1 s SER 106 CO -0.09 -0.71 0.57 0.20 1.20 0.00 0.00 173.24 174.42 1wg1 s ASN 107 N -0.92 -0.36 0.07 5.45 0.01 -1.26 -4.95 114.94 112.98 1wg1 s ASN 107 Ca 0.56 -0.33 -0.35 0.00 -0.71 0.00 0.00 52.86 52.03 1wg1 s ASN 107 Cb -0.34 0.60 -0.18 0.00 0.41 0.00 0.00 41.25 41.74 1wg1 s ASN 107 CO 0.44 -1.06 1.54 0.00 -1.51 0.00 0.00 177.10 176.51 1wg1 n GLN 109 N -5.44 -0.05 -0.07 0.00 7.27 -1.26 0.22 117.38 118.05 1wg1 n GLN 109 Ca -0.13 1.04 -0.11 0.00 0.07 0.00 0.00 57.00 57.87 1wg1 n GLN 109 Cb 0.47 -1.75 -0.04 0.00 2.41 0.00 0.00 30.24 31.33 1wg1 n GLN 109 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1wg1 h GLU 110 N 0.00 0.34 0.32 3.69 4.39 -1.87 -2.90 114.58 118.55 1wg1 h GLU 110 Ca 0.52 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 60.12 1wg1 h GLU 110 Cb 1.25 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1wg1 h GLU 110 CO -0.62 0.46 -0.15 0.28 -1.16 0.00 0.00 179.01 177.82 1wg1 h VAL 111 N 0.16 0.31 -0.50 3.13 2.07 0.29 -2.68 116.25 119.02 1wg1 h VAL 111 Ca 0.07 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1wg1 h VAL 111 Cb 0.28 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1wg1 h VAL 111 CO 0.00 0.08 -0.29 1.57 0.02 0.00 0.00 177.57 178.94 1wg1 n HIS 112 N -5.07 -0.22 -0.10 1.57 -0.00 0.19 0.10 115.22 111.68 1wg1 n HIS 112 Ca -0.07 0.62 -0.06 0.00 -0.00 0.00 0.00 57.72 58.22 1wg1 n HIS 112 Cb 0.23 -0.50 0.02 0.00 -0.00 0.00 0.00 29.99 29.74 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 -0.02 -0.81 0.26 5.19 -1.64 -1.89 116.42 117.51 1wg1 h ASP 113 Ca 0.08 0.06 0.16 0.00 -0.62 0.00 0.00 57.03 56.71 1wg1 h ASP 113 Cb 0.20 0.09 -0.10 0.00 0.18 0.00 0.00 39.33 39.70 1wg1 h ASP 113 CO -0.47 0.03 0.35 0.25 -3.12 0.00 0.00 179.24 176.28 1wg1 h LEU 114 N 0.17 0.34 -3.95 1.55 5.85 0.02 0.26 115.31 119.55 1wg1 h LEU 114 Ca 0.17 0.12 -0.54 0.00 0.84 0.00 0.00 57.88 58.47 1wg1 h LEU 114 Cb 0.20 0.08 -0.22 0.00 0.37 0.00 0.00 40.66 41.10 1wg1 h LEU 114 CO -0.24 0.11 0.68 0.18 -0.34 0.00 0.00 178.44 178.83 1wg1 n LEU 115 N -4.98 7.12 0.08 2.25 4.77 0.92 -4.54 117.00 122.60 1wg1 n LEU 115 Ca 0.17 -3.95 0.00 0.00 -0.03 0.00 0.00 56.01 52.20 1wg1 n LEU 115 Cb 0.47 -1.04 0.32 0.00 -2.33 0.00 0.00 43.42 40.84 1wg1 n LEU 115 CO 0.18 1.43 0.84 0.07 -1.33 0.00 0.00 177.39 178.58 1wg1 h LYS 116 N 2.00 0.33 -0.24 3.23 2.10 -0.73 -2.97 116.57 120.29 1wg1 h LYS 116 Ca 0.47 -0.09 0.03 0.00 -2.00 0.00 0.00 60.65 59.05 1wg1 h LYS 116 Cb 0.77 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 32.03 1wg1 h LYS 116 CO 1.20 0.49 0.06 -0.44 -2.00 0.00 0.00 179.45 178.77 1wg1 h ASP 117 N 0.31 0.05 -3.06 7.07 5.19 -1.84 -3.43 116.42 120.71 1wg1 h ASP 117 Ca 0.06 0.03 -0.47 0.00 -0.62 0.00 0.00 57.03 56.03 1wg1 h ASP 117 Cb 0.48 0.03 0.03 0.00 0.18 0.00 0.00 39.33 40.05 1wg1 h ASP 117 CO 0.03 0.06 -0.01 -0.31 -3.12 0.00 0.00 179.24 175.88 1wg1 s TYR 118 N -6.18 3.29 -0.09 4.55 2.02 -1.12 -5.07 117.35 114.76 1wg1 s TYR 118 Ca -0.13 0.41 -0.19 0.00 -0.37 0.00 0.00 57.07 56.78 1wg1 s TYR 118 Cb 0.10 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 1wg1 s TYR 118 CO 0.69 -0.42 0.52 -0.51 -1.57 0.00 0.00 175.55 174.27 1wg1 s ASP 119 N -4.21 6.78 -0.20 2.29 1.01 -1.26 -4.94 116.67 116.14 1wg1 s ASP 119 Ca 0.49 0.93 -0.08 0.00 0.71 0.00 0.00 52.55 54.59 1wg1 s ASP 119 Cb -0.10 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1wg1 s ASP 119 CO 0.40 0.02 0.09 -0.76 0.21 0.00 0.00 175.17 175.14 1wg1 s LEU 120 N 0.43 3.91 -0.18 1.23 1.02 -1.26 -2.52 118.68 121.31 1wg1 s LEU 120 Ca 0.28 0.09 0.09 0.00 0.02 0.00 0.00 54.13 54.61 1wg1 s LEU 120 Cb -0.16 -2.01 -0.22 0.00 0.02 0.00 0.00 46.19 43.81 1wg1 s LEU 120 CO 0.13 0.13 0.12 0.29 0.02 0.00 0.00 176.35 177.04 1wg1 n LYS 121 N 3.81 0.68 -3.64 1.70 4.01 0.14 -5.00 118.16 119.87 1wg1 n LYS 121 Ca -0.16 0.12 -0.13 0.00 -0.51 0.00 0.00 58.31 57.63 1wg1 n LYS 121 Cb 0.52 -1.59 -0.07 0.00 -0.51 0.00 0.00 35.03 33.38 1wg1 n LYS 121 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1wg1 s TYR 122 N -2.53 -0.82 -0.21 2.13 6.14 -1.25 -4.97 117.35 115.85 1wg1 s TYR 122 Ca -0.18 1.92 -0.02 0.00 0.64 0.00 0.00 57.07 59.43 1wg1 s TYR 122 Cb 0.07 0.33 0.06 0.00 0.42 0.00 0.00 41.96 42.84 1wg1 s TYR 122 CO 0.75 -0.40 0.00 0.00 0.64 0.00 0.00 175.55 176.55 1wg1 s TYR 124 N 1.70 3.13 -0.19 0.00 5.04 -0.89 -4.96 117.35 121.18 1wg1 s TYR 124 Ca -0.03 -1.95 -0.11 0.00 -2.44 0.00 0.00 57.07 52.54 1wg1 s TYR 124 Cb -0.18 -1.99 -0.05 0.00 0.35 0.00 0.00 41.96 40.10 1wg1 s TYR 124 CO -0.07 -0.82 0.19 0.08 -1.34 0.00 0.00 175.55 173.59 1wg1 s VAL 125 N 1.21 5.37 -0.42 3.14 1.01 -1.26 -1.08 120.40 128.36 1wg1 s VAL 125 Ca -0.04 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.29 1wg1 s VAL 125 Cb -0.18 -3.53 0.11 0.00 0.00 0.00 0.00 36.38 32.79 1wg1 s VAL 125 CO -0.06 0.41 0.16 -1.81 0.00 0.00 0.00 175.10 173.81 1wg1 s ASP 126 N 0.46 4.73 0.52 3.32 1.01 0.38 -4.95 116.67 122.13 1wg1 s ASP 126 Ca 0.11 -2.44 0.16 0.00 0.71 0.00 0.00 52.55 51.08 1wg1 s ASP 126 Cb -0.12 -1.67 1.26 0.00 1.01 0.00 0.00 42.92 43.40 1wg1 s ASP 126 CO 0.00 -0.36 2.15 0.03 0.21 0.00 0.00 175.17 177.20 1wg1 h ARG 127 N 7.30 0.01 -0.33 8.23 3.08 -1.93 0.61 114.38 131.35 1wg1 h ARG 127 Ca -0.06 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1wg1 h ARG 127 Cb 0.98 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 1wg1 h ARG 127 CO 0.61 0.01 0.17 -0.97 -1.07 0.00 0.00 179.97 178.72 1wg1 h ASN 128 N 0.01 0.40 -0.02 7.04 -0.73 -1.95 -2.65 115.58 117.69 1wg1 h ASN 128 Ca 0.01 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1wg1 h ASN 128 Cb 0.01 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.50 1wg1 h ASN 128 CO -0.00 0.34 0.00 0.29 -0.37 0.00 0.00 177.43 177.68 1wg1 n LYS 129 N -4.44 2.24 -4.09 6.67 5.02 -0.51 -5.00 118.16 118.05 1wg1 n LYS 129 Ca 0.02 -2.02 -0.29 0.00 -2.02 0.00 0.00 58.31 53.99 1wg1 n LYS 129 Cb 0.10 -1.25 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 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 -0.89 -0.86 -3.83 1.97 5.12 0.20 -4.89 116.66 113.49 1wg1 n ARG 130 Ca 0.08 0.06 -0.12 0.00 -1.93 0.00 0.00 57.85 55.94 1wg1 n ARG 130 Cb 0.44 -2.98 -0.12 0.00 -1.16 0.00 0.00 32.46 28.64 1wg1 n ARG 130 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1wg1 s THR 131 N -4.15 0.01 -0.07 0.55 2.01 -0.90 -3.08 115.64 110.01 1wg1 s THR 131 Ca 0.06 -0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1wg1 s THR 131 Cb -0.03 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.27 1wg1 s THR 131 CO 0.87 -0.03 -0.17 0.00 -0.69 0.00 0.00 174.62 174.60 1wg1 s ALA 132 N -0.03 1.63 -0.24 7.40 0.00 -0.80 -0.47 121.76 129.24 1wg1 s ALA 132 Ca -0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 1wg1 s ALA 132 Cb -0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1wg1 s ALA 132 CO 0.00 0.21 0.30 -0.06 0.00 0.00 0.00 175.76 176.22 1wg1 s PHE 133 N 0.41 3.30 -0.16 0.00 0.40 -0.24 -1.00 117.98 120.68 1wg1 s PHE 133 Ca -0.14 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.59 1wg1 s PHE 133 Cb -0.16 -2.46 0.00 0.00 0.51 0.00 0.00 43.02 40.92 1wg1 s PHE 133 CO 0.05 -0.09 -0.17 0.08 0.70 0.00 0.00 175.22 175.79 1wg1 s VAL 134 N 1.57 2.44 -0.53 -0.44 1.01 -0.89 -2.09 120.40 121.46 1wg1 s VAL 134 Ca 0.13 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 1wg1 s VAL 134 Cb -0.15 -2.02 0.13 0.00 0.00 0.00 0.00 36.38 34.34 1wg1 s VAL 134 CO 0.08 0.52 0.47 -0.89 0.00 0.00 0.00 175.10 175.29 1wg1 s THR 135 N 0.92 5.02 1.18 3.92 2.01 -0.83 -0.64 115.64 127.22 1wg1 s THR 135 Ca -0.04 -1.57 -0.19 0.00 0.31 0.00 0.00 61.69 60.20 1wg1 s THR 135 Cb -0.15 -4.23 0.28 0.00 0.01 0.00 0.00 72.50 68.41 1wg1 s THR 135 CO -0.03 -0.85 1.13 -0.76 -0.69 0.00 0.00 174.62 173.42 1wg1 s LEU 136 N 1.53 0.92 -0.01 4.42 1.43 -1.26 0.27 118.68 125.98 1wg1 s LEU 136 Ca 0.04 0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 53.62 1wg1 s LEU 136 Cb -0.29 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.53 1wg1 s LEU 136 CO 0.02 -3.98 0.69 0.25 0.23 0.00 0.00 176.35 173.57 1wg1 h LEU 137 N -2.48 -0.31 -9.79 1.79 5.85 -1.88 -3.42 115.31 105.06 1wg1 h LEU 137 Ca -0.45 0.01 -0.61 0.00 0.84 0.00 0.00 57.88 57.68 1wg1 h LEU 137 Cb 1.29 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.29 1wg1 h LEU 137 CO 0.34 -0.11 -0.55 0.20 -0.34 0.00 0.00 178.44 177.99 1wg1 s ASN 138 N -3.60 4.13 -0.07 1.25 0.01 -1.26 -4.85 114.94 110.54 1wg1 s ASN 138 Ca -0.05 -1.26 -0.26 0.00 -0.71 0.00 0.00 52.86 50.57 1wg1 s ASN 138 Cb 0.01 -0.37 -0.22 0.00 0.41 0.00 0.00 41.25 41.07 1wg1 s ASN 138 CO 0.16 -0.52 1.02 1.23 -1.51 0.00 0.00 177.10 177.48 1wg1 h GLY 139 N 1.59 -0.02 -0.73 0.66 0.00 -1.79 -3.27 103.07 99.51 1wg1 h GLY 139 Ca -0.43 0.01 0.36 0.00 0.00 0.00 0.00 47.33 47.27 1wg1 h GLY 139 CO 0.76 -0.01 0.55 0.83 0.00 0.00 0.00 176.54 178.67 1wg1 h GLU 140 N -0.74 0.18 -0.21 4.80 5.08 -1.83 0.53 114.58 122.39 1wg1 h GLU 140 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1wg1 h GLU 140 Cb 0.70 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1wg1 h GLU 140 CO 0.00 0.12 0.12 1.96 -1.00 0.00 0.00 179.01 180.21 1wg1 h GLN 141 N 0.18 0.29 -0.01 2.33 4.20 -1.94 -3.08 115.11 117.09 1wg1 h GLN 141 Ca 0.78 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.46 1wg1 h GLN 141 Cb 1.93 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.65 1wg1 h GLN 141 CO -0.68 0.25 0.00 0.00 -0.67 0.00 0.00 178.83 177.74 1wg1 h ALA 142 N 1.02 0.01 -0.86 3.87 0.00 -0.07 0.11 119.26 123.34 1wg1 h ALA 142 Ca 0.07 -0.07 0.30 0.00 0.00 0.00 0.00 54.91 55.22 1wg1 h ALA 142 Cb 0.04 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.68 1wg1 h ALA 142 CO -0.01 -0.43 0.25 1.04 0.00 0.00 0.00 179.25 180.10 1wg1 n GLN 143 N -5.02 -0.06 -0.10 0.00 1.13 -0.33 -0.05 117.38 112.95 1wg1 n GLN 143 Ca -0.07 1.23 -0.19 0.00 -1.94 0.00 0.00 57.00 56.03 1wg1 n GLN 143 Cb 0.09 -2.08 -0.10 0.00 0.11 0.00 0.00 30.24 28.25 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 -0.01 1.08 2.35 -1.50 -3.31 115.58 114.19 1wg1 h ASN 144 Ca 0.63 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1wg1 h ASN 144 Cb 1.52 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.89 1wg1 h ASN 144 CO -0.73 1.36 0.65 0.00 -1.65 0.00 0.00 177.43 177.06 1wg1 h ALA 145 N -0.52 1.66 0.00 -0.83 0.00 0.88 0.29 119.26 120.74 1wg1 h ALA 145 Ca -0.28 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1wg1 h ALA 145 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1wg1 h ALA 145 CO -0.17 -0.65 -0.23 0.82 0.00 0.00 0.00 179.25 179.01 1wg1 h ILE 146 N 0.00 0.34 0.00 0.00 2.04 -0.60 -2.59 117.51 116.70 1wg1 h ILE 146 Ca 0.00 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.54 1wg1 h ILE 146 Cb 1.30 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1wg1 h ILE 146 CO -0.00 0.11 -0.14 -0.61 0.00 0.00 0.00 178.15 177.51 1wg1 h GLN 147 N -1.00 0.00 0.16 2.37 -0.00 -1.17 0.55 115.11 116.01 1wg1 h GLN 147 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 1wg1 h GLN 147 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.87 1wg1 h GLN 147 CO -0.02 0.14 -0.08 0.52 0.00 0.00 0.00 178.83 179.40 1wg1 h MET 148 N 0.00 -0.20 0.01 1.69 2.86 -0.66 -3.37 114.93 115.26 1wg1 h MET 148 Ca -0.00 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1wg1 h MET 148 Cb 0.26 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1wg1 h MET 148 CO 0.02 0.13 -0.00 0.74 1.06 0.00 0.00 176.91 178.85 1wg1 h PHE 149 N -0.98 -0.01 -0.71 -0.22 -1.00 -1.38 -3.45 116.94 109.20 1wg1 h PHE 149 Ca -0.02 -0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.21 1wg1 h PHE 149 Cb 0.42 0.00 0.04 0.00 3.61 0.00 0.00 35.95 40.03 1wg1 h PHE 149 CO 0.07 0.33 -0.03 1.58 -1.61 0.00 0.00 178.31 178.65 1wg1 n HIS 150 N -4.93 0.32 -2.89 -0.55 -0.00 0.19 -0.75 115.22 106.61 1wg1 n HIS 150 Ca -0.08 0.74 -0.12 0.00 0.46 0.00 0.00 57.72 58.71 1wg1 n HIS 150 Cb 0.18 -1.46 0.03 0.00 -0.12 0.00 0.00 29.99 28.63 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 1.00 -3.50 -3.56 1.57 1.13 -0.23 -4.93 117.38 108.86 1wg1 n GLN 151 Ca 0.14 0.46 -0.35 0.00 -1.94 0.00 0.00 57.00 55.31 1wg1 n GLN 151 Cb 0.08 -4.37 -0.05 0.00 0.11 0.00 0.00 30.24 26.00 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 -3.03 3.59 -0.53 1.08 5.04 0.07 -4.89 117.35 118.68 1wg1 s TYR 152 Ca 0.24 0.81 -0.28 0.00 -2.44 0.00 0.00 57.07 55.40 1wg1 s TYR 152 Cb -0.11 -2.17 0.02 0.00 0.35 0.00 0.00 41.96 40.04 1wg1 s TYR 152 CO 0.30 0.52 1.38 0.45 -1.34 0.00 0.00 175.55 176.86 1wg1 s SER 153 N -1.72 6.22 -0.25 4.32 0.15 -1.26 -2.73 113.70 118.43 1wg1 s SER 153 Ca 0.33 0.39 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 1wg1 s SER 153 Cb -0.14 -2.55 0.08 0.00 -1.71 0.00 0.00 66.02 61.70 1wg1 s SER 153 CO 0.18 -1.61 0.07 0.12 1.20 0.00 0.00 173.24 173.20 1wg1 s PHE 154 N 5.75 1.19 -1.68 3.44 5.36 -0.72 -4.81 117.98 126.51 1wg1 s PHE 154 Ca 0.53 -1.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.31 1wg1 s PHE 154 Cb -0.11 -1.27 0.00 0.00 -0.34 0.00 0.00 43.02 41.31 1wg1 s PHE 154 CO 0.27 -0.74 0.00 0.54 -1.46 0.00 0.00 175.22 173.83 1wg1 n ARG 155 N 5.00 -1.73 0.00 10.12 1.74 -1.26 -0.55 116.66 129.99 1wg1 n ARG 155 Ca -0.06 0.95 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 1wg1 n ARG 155 Cb 0.44 -5.52 0.00 0.00 -1.02 0.00 0.00 32.46 26.37 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 -0.80 3.12 3.79 -0.13 0.00 -1.26 -5.02 105.19 104.89 1wg1 n GLY 156 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.50 4.17 -0.95 1.61 -0.14 0.29 -5.02 119.74 119.19 1wg1 s LYS 157 Ca 0.00 0.56 -0.20 0.00 -1.36 0.00 0.00 55.97 54.97 1wg1 s LYS 157 Cb 0.00 -3.30 0.11 0.00 -1.68 0.00 0.00 37.83 32.96 1wg1 s LYS 157 CO 0.00 0.48 1.20 -0.51 -0.76 0.00 0.00 175.35 175.76 1wg1 s ASP 158 N -0.48 6.60 0.13 2.83 1.01 -1.26 -1.75 116.67 123.75 1wg1 s ASP 158 Ca 0.27 -1.92 -0.34 0.00 0.71 0.00 0.00 52.55 51.27 1wg1 s ASP 158 Cb -0.17 -2.44 -0.16 0.00 1.01 0.00 0.00 42.92 41.16 1wg1 s ASP 158 CO 0.15 -1.16 1.18 0.18 0.21 0.00 0.00 175.17 175.73 1wg1 n LEU 159 N 7.06 1.34 -4.27 1.23 4.77 -1.11 -4.63 117.00 121.39 1wg1 n LEU 159 Ca 0.26 1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 56.97 1wg1 n LEU 159 Cb 0.49 -1.18 -0.09 0.00 -2.33 0.00 0.00 43.42 40.32 1wg1 n LEU 159 CO 0.54 -1.34 -0.08 -0.63 -1.33 0.00 0.00 177.39 174.56 1wg1 s ILE 160 N -0.01 4.33 -0.24 -0.08 1.01 0.31 -1.07 121.20 125.45 1wg1 s ILE 160 Ca 0.77 -1.44 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 1wg1 s ILE 160 Cb -0.92 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 37.83 1wg1 s ILE 160 CO 0.51 -0.57 0.22 -0.69 0.00 0.00 0.00 174.94 174.41 1wg1 s VAL 161 N 1.43 5.31 0.11 2.92 1.01 -1.26 -0.95 120.40 128.98 1wg1 s VAL 161 Ca 0.04 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1wg1 s VAL 161 Cb -0.24 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1wg1 s VAL 161 CO 0.02 0.31 -0.08 0.00 0.00 0.00 0.00 175.10 175.35 1wg1 s GLN 162 N 1.25 0.87 0.13 2.72 -2.07 -0.89 -4.70 119.66 116.96 1wg1 s GLN 162 Ca 0.10 -1.30 -0.25 0.00 -1.82 0.00 0.00 55.36 52.08 1wg1 s GLN 162 Cb -0.14 -0.34 -0.07 0.00 -1.09 0.00 0.00 33.01 31.36 1wg1 s GLN 162 CO 0.06 0.02 0.77 -1.17 -1.32 0.00 0.00 175.29 173.66 1wg1 s LEU 163 N -2.90 4.55 0.77 2.60 2.96 -1.26 -0.27 118.68 125.12 1wg1 s LEU 163 Ca 0.11 1.58 -0.17 0.00 -0.22 0.00 0.00 54.13 55.43 1wg1 s LEU 163 Cb 0.03 -3.28 -0.10 0.00 0.50 0.00 0.00 46.19 43.34 1wg1 s LEU 163 CO -0.03 0.14 -0.11 0.00 -1.32 0.00 0.00 176.35 175.04 1wg1 n GLN 164 N 2.00 0.06 -2.05 1.98 6.02 -1.18 -4.73 117.38 119.48 1wg1 n GLN 164 Ca -0.05 0.04 -0.28 0.00 -0.01 0.00 0.00 57.00 56.70 1wg1 n GLN 164 Cb 0.49 -1.31 -0.05 0.00 1.02 0.00 0.00 30.24 30.39 1wg1 n GLN 164 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wg1 s PRO 165 N -2.06 2.57 -0.30 -1.09 0.04 -1.26 -4.84 135.00 128.07 1wg1 s PRO 165 Ca 0.54 -0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.38 1wg1 s PRO 165 Cb -0.33 -4.96 0.19 0.00 0.04 0.00 0.00 34.50 29.44 1wg1 s PRO 165 CO 0.69 -3.28 0.76 0.99 0.04 0.00 0.00 177.00 176.20 1wg1 s THR 166 N 9.92 -0.76 0.00 1.26 2.01 -1.26 -5.13 115.64 121.69 1wg1 s THR 166 Ca 0.70 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.40 1wg1 s THR 166 Cb -0.08 -0.96 -0.08 0.00 0.01 0.00 0.00 72.50 71.39 1wg1 s THR 166 CO 0.02 0.00 1.93 1.51 -0.69 0.00 0.00 174.62 177.40 1wg1 s ASP 167 N 2.89 6.42 -0.63 3.53 -4.77 -1.26 -4.93 116.67 117.91 1wg1 s ASP 167 Ca 0.13 2.54 0.05 0.00 -3.30 0.00 0.00 52.55 51.98 1wg1 s ASP 167 Cb -0.12 -2.53 0.18 0.00 -1.09 0.00 0.00 42.92 39.36 1wg1 s ASP 167 CO -0.19 -1.10 0.51 0.00 0.70 0.00 0.00 175.17 175.10 1wg1 n ALA 168 N 7.76 3.38 -3.62 2.11 0.00 -1.26 -5.05 120.51 123.82 1wg1 n ALA 168 Ca 0.20 -4.27 -0.08 0.00 0.00 0.00 0.00 53.44 49.30 1wg1 n ALA 168 Cb 0.42 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.34 -0.32 0.45 0.00 2.34 -1.26 -5.09 118.68 113.46 1wg1 s LEU 169 Ca 0.29 0.53 -0.22 0.00 0.06 0.00 0.00 54.13 54.79 1wg1 s LEU 169 Cb 0.01 1.66 -0.08 0.00 -0.56 0.00 0.00 46.19 47.21 1wg1 s LEU 169 CO -0.15 -0.16 1.06 -0.76 -1.06 0.00 0.00 176.35 175.28 1wg1 s LEU 170 N -0.25 3.99 0.02 1.48 2.01 -1.26 -4.98 118.68 119.70 1wg1 s LEU 170 Ca 0.03 2.03 -0.20 0.00 0.01 0.00 0.00 54.13 56.00 1wg1 s LEU 170 Cb -0.04 -4.35 -0.17 0.00 0.01 0.00 0.00 46.19 41.64 1wg1 s LEU 170 CO -0.06 -0.68 1.25 0.00 1.01 0.00 0.00 176.35 177.86 1wg1 s SER 172 N -6.33 4.70 0.00 0.00 0.01 -1.26 -4.93 113.70 105.89 1wg1 s SER 172 Ca -0.14 -2.08 0.00 0.00 1.31 0.00 0.00 55.95 55.04 1wg1 s SER 172 Cb 0.04 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.70 1wg1 s SER 172 CO 0.77 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1wg1 n GLY 173 N 4.30 -1.22 3.77 3.44 0.00 -1.26 -5.14 105.19 109.07 1wg1 n GLY 173 Ca 0.02 0.61 -0.39 0.00 0.00 0.00 0.00 46.02 46.27 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 0.38 4.09 0.21 1.61 0.04 -1.26 -4.95 135.00 135.11 1wg1 s PRO 174 Ca 0.00 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1wg1 s PRO 174 Cb 0.00 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1wg1 s PRO 174 CO 0.00 -0.31 0.00 0.43 0.04 0.00 0.00 177.00 177.16 1wg1 n SER 175 N 0.18 0.31 -4.35 6.66 7.64 -1.26 -5.02 113.62 117.77 1wg1 n SER 175 Ca 0.04 0.34 -0.37 0.00 1.01 0.00 0.00 58.87 59.89 1wg1 n SER 175 Cb 0.46 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 1wg1 n SER 175 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wg1 n SER 176 N -3.46 -1.82 -0.77 6.43 3.41 -1.26 -5.31 113.62 110.84 1wg1 n SER 176 Ca 0.00 -1.15 0.13 0.00 -0.26 0.00 0.00 58.87 57.59 1wg1 n SER 176 Cb 0.01 -2.13 0.27 0.00 -0.26 0.00 0.00 64.21 62.11 1wg1 n SER 176 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49