#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg5 s SER 2 N 0.00 3.22 -0.20 1.61 0.01 -1.26 -5.11 113.70 111.98 1wg5 s SER 2 Ca 0.00 -2.19 -0.02 0.00 1.31 0.00 0.00 55.95 55.05 1wg5 s SER 2 Cb 0.00 -0.56 -0.00 0.00 0.21 0.00 0.00 66.02 65.67 1wg5 s SER 2 CO 0.00 -0.32 -0.09 -0.44 0.41 0.00 0.00 173.24 172.81 1wg5 s SER 3 N 1.02 4.03 -0.41 2.44 0.01 -1.26 -5.03 113.70 114.49 1wg5 s SER 3 Ca 0.17 -0.43 0.08 0.00 1.31 0.00 0.00 55.95 57.08 1wg5 s SER 3 Cb -0.23 -1.67 0.26 0.00 0.21 0.00 0.00 66.02 64.60 1wg5 s SER 3 CO -0.03 0.02 0.57 0.61 0.41 0.00 0.00 173.24 174.81 1wg5 n GLY 4 N 4.53 3.14 3.54 3.44 0.00 -1.26 -5.08 105.19 113.50 1wg5 n GLY 4 Ca -0.19 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 43.74 1wg5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg5 n SER 5 N 1.22 2.17 -3.25 1.61 2.88 -1.26 -4.87 113.62 112.12 1wg5 n SER 5 Ca 0.22 -0.22 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wg5 n SER 5 Cb 0.53 -1.46 -0.03 0.00 -0.75 0.00 0.00 64.21 62.50 1wg5 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg5 s SER 6 N 10.74 -0.88 -0.36 -3.46 0.01 -1.26 -5.06 113.70 113.43 1wg5 s SER 6 Ca 1.05 0.74 0.14 0.00 1.31 0.00 0.00 55.95 59.18 1wg5 s SER 6 Cb -0.41 1.86 0.39 0.00 0.21 0.00 0.00 66.02 68.06 1wg5 s SER 6 CO 0.33 -0.27 0.85 0.61 0.41 0.00 0.00 173.24 175.17 1wg5 n GLY 7 N 5.41 2.62 3.55 3.44 0.00 -1.26 -5.07 105.19 113.88 1wg5 n GLY 7 Ca -0.03 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 1wg5 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wg5 s ASN 8 N -2.56 4.86 -0.87 1.61 2.47 -1.26 -4.89 114.94 114.31 1wg5 s ASN 8 Ca 0.34 0.43 -0.01 0.00 0.42 0.00 0.00 52.86 54.04 1wg5 s ASN 8 Cb 0.39 -2.53 0.21 0.00 -1.45 0.00 0.00 41.25 37.87 1wg5 s ASN 8 CO -0.04 -2.71 0.74 -0.94 -3.72 0.00 0.00 177.10 170.43 1wg5 s SER 9 N 9.67 5.85 0.78 -4.21 1.04 -1.26 -4.94 113.70 120.64 1wg5 s SER 9 Ca 0.79 -3.72 -0.11 0.00 0.48 0.00 0.00 55.95 53.39 1wg5 s SER 9 Cb -0.13 -1.88 0.06 0.00 0.10 0.00 0.00 66.02 64.17 1wg5 s SER 9 CO 0.19 -0.17 1.09 -2.16 0.98 0.00 0.00 173.24 173.16 1wg5 s PRO 10 N -1.34 2.17 -0.41 4.02 0.04 -1.26 -5.04 135.00 133.18 1wg5 s PRO 10 Ca 0.27 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.47 1wg5 s PRO 10 Cb -0.07 -1.89 0.12 0.00 0.04 0.00 0.00 34.50 32.70 1wg5 s PRO 10 CO -0.13 -1.69 0.17 0.16 0.04 0.00 0.00 177.00 175.54 1wg5 s ASP 11 N -3.40 4.20 0.00 6.66 -4.77 -1.26 -4.83 116.67 113.27 1wg5 s ASP 11 Ca 0.61 -2.41 0.00 0.00 -3.30 0.00 0.00 52.55 47.45 1wg5 s ASP 11 Cb -0.17 -1.32 0.00 0.00 -1.09 0.00 0.00 42.92 40.34 1wg5 s ASP 11 CO 0.56 -0.32 0.00 0.35 0.70 0.00 0.00 175.17 176.46 1wg5 n THR 12 N 3.87 0.00 -3.91 2.11 -2.24 -1.26 -5.09 114.28 107.77 1wg5 n THR 12 Ca 0.04 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.55 1wg5 n THR 12 Cb 0.37 -0.04 -0.17 0.00 -2.10 0.00 0.00 70.33 68.40 1wg5 n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wg5 s ALA 13 N -1.12 1.46 -0.63 6.98 0.00 -1.26 -5.02 121.76 122.16 1wg5 s ALA 13 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 1wg5 s ALA 13 Cb 0.00 -1.04 0.28 0.00 0.00 0.00 0.00 23.12 22.37 1wg5 s ALA 13 CO 0.00 -0.60 2.22 0.09 0.00 0.00 0.00 175.76 177.47 1wg5 n ASN 14 N 4.89 7.17 0.06 0.00 4.13 -1.26 -4.55 115.26 125.70 1wg5 n ASN 14 Ca -0.13 -3.56 -0.07 0.00 1.68 0.00 0.00 54.58 52.50 1wg5 n ASN 14 Cb 0.49 -1.09 0.08 0.00 -1.54 0.00 0.00 39.78 37.72 1wg5 n ASN 14 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1wg5 h ASP 15 N 2.55 0.38 -0.17 6.41 3.32 -1.93 -3.30 116.42 123.68 1wg5 h ASP 15 Ca 0.50 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1wg5 h ASP 15 Cb 0.51 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1wg5 h ASP 15 CO 1.24 0.91 0.00 0.61 -1.72 0.00 0.00 179.24 180.28 1wg5 n GLY 16 N 0.35 1.21 3.80 2.75 0.00 -1.26 -4.06 105.19 107.98 1wg5 n GLY 16 Ca -0.03 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1wg5 n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wg5 s PHE 17 N -2.17 3.67 -0.01 1.61 0.08 -1.19 -0.23 117.98 119.75 1wg5 s PHE 17 Ca 0.00 1.61 0.01 0.00 0.12 0.00 0.00 56.93 58.67 1wg5 s PHE 17 Cb 0.00 -2.79 0.00 0.00 -0.57 0.00 0.00 43.02 39.66 1wg5 s PHE 17 CO 0.00 0.26 -0.02 0.14 -0.10 0.00 0.00 175.22 175.51 1wg5 s VAL 18 N -1.58 0.17 -0.07 -0.44 -7.23 0.14 -0.41 120.40 110.98 1wg5 s VAL 18 Ca 0.47 -0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.54 1wg5 s VAL 18 Cb -0.18 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 1wg5 s VAL 18 CO 0.22 0.06 0.13 -0.60 -0.31 0.00 0.00 175.10 174.60 1wg5 s ARG 19 N 0.12 3.33 0.05 4.82 3.52 -0.32 -0.69 118.95 129.79 1wg5 s ARG 19 Ca -0.01 -0.26 0.08 0.00 -0.13 0.00 0.00 55.73 55.41 1wg5 s ARG 19 Cb -0.03 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.26 1wg5 s ARG 19 CO -0.00 0.73 -0.21 -0.51 -0.81 0.00 0.00 175.30 174.49 1wg5 s LEU 20 N -1.35 2.47 -0.03 -0.88 1.43 0.57 -0.48 118.68 120.41 1wg5 s LEU 20 Ca 0.19 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1wg5 s LEU 20 Cb -0.12 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.69 1wg5 s LEU 20 CO 0.09 0.25 0.03 -0.13 0.23 0.00 0.00 176.35 176.83 1wg5 s ARG 21 N -1.41 0.01 0.00 1.70 0.52 0.13 -2.57 118.95 117.33 1wg5 s ARG 21 Ca 0.14 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 1wg5 s ARG 21 Cb -0.10 -0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.00 1wg5 s ARG 21 CO 0.04 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.56 1wg5 n GLY 22 N 4.49 1.30 3.77 -3.53 0.00 0.53 -0.16 105.19 111.59 1wg5 n GLY 22 Ca -0.21 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1wg5 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg5 s LEU 23 N -0.08 4.13 1.04 0.99 1.43 -0.73 -4.50 118.68 120.97 1wg5 s LEU 23 Ca 0.00 2.46 -0.13 0.00 -1.03 0.00 0.00 54.13 55.43 1wg5 s LEU 23 Cb 0.00 -4.05 0.21 0.00 0.03 0.00 0.00 46.19 42.37 1wg5 s LEU 23 CO 0.00 -0.85 1.09 -2.16 0.23 0.00 0.00 176.35 174.67 1wg5 s PRO 24 N -2.41 0.13 -0.01 1.29 0.04 -1.26 -4.72 135.00 128.06 1wg5 s PRO 24 Ca 0.59 0.43 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 1wg5 s PRO 24 Cb -0.33 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1wg5 s PRO 24 CO 0.41 -2.91 1.61 -0.06 0.04 0.00 0.00 177.00 176.09 1wg5 s PHE 25 N -2.97 2.26 0.00 0.56 0.08 -1.26 -2.03 117.98 114.63 1wg5 s PHE 25 Ca 0.66 0.34 0.00 0.00 0.12 0.00 0.00 56.93 58.05 1wg5 s PHE 25 Cb -0.18 -3.89 0.00 0.00 -0.57 0.00 0.00 43.02 38.38 1wg5 s PHE 25 CO 0.58 -3.62 0.00 0.41 -0.10 0.00 0.00 175.22 172.48 1wg5 n GLY 26 N 4.01 0.46 3.68 4.36 0.00 -1.26 -4.99 105.19 111.44 1wg5 n GLY 26 Ca 0.16 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1wg5 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg5 s SER 28 N 3.06 0.13 0.22 0.00 0.01 -1.26 -5.01 113.70 110.84 1wg5 s SER 28 Ca 0.78 -1.34 -0.13 0.00 1.31 0.00 0.00 55.95 56.57 1wg5 s SER 28 Cb -0.40 0.40 0.26 0.00 0.21 0.00 0.00 66.02 66.49 1wg5 s SER 28 CO 0.34 -0.87 1.62 0.11 0.41 0.00 0.00 173.24 174.85 1wg5 h LYS 29 N 2.59 -0.00 -1.00 12.44 1.57 -1.98 0.16 116.57 130.36 1wg5 h LYS 29 Ca -0.35 0.00 0.39 0.00 -1.87 0.00 0.00 60.65 58.82 1wg5 h LYS 29 Cb 1.25 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.38 1wg5 h LYS 29 CO 0.51 -0.00 0.45 0.39 -0.57 0.00 0.00 179.45 180.23 1wg5 n GLU 30 N -5.45 -0.06 0.11 3.15 -0.58 -1.26 0.62 120.64 117.16 1wg5 n GLU 30 Ca 0.08 1.40 -0.24 0.00 -0.42 0.00 0.00 57.16 57.98 1wg5 n GLU 30 Cb 0.34 -2.45 -0.15 0.00 -0.57 0.00 0.00 31.44 28.61 1wg5 n GLU 30 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1wg5 h GLU 31 N 0.00 0.46 0.77 3.49 5.08 -1.13 -3.35 114.58 119.90 1wg5 h GLU 31 Ca 0.80 -0.79 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1wg5 h GLU 31 Cb 2.06 0.30 0.01 0.00 0.50 0.00 0.00 28.75 31.62 1wg5 h GLU 31 CO -0.80 1.38 -0.37 0.82 -1.00 0.00 0.00 179.01 179.04 1wg5 h ILE 32 N 0.13 0.00 -0.73 3.13 2.04 0.14 0.58 117.51 122.80 1wg5 h ILE 32 Ca -0.30 -0.03 0.20 0.00 1.00 0.00 0.00 64.86 65.73 1wg5 h ILE 32 Cb 2.14 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 38.08 1wg5 h ILE 32 CO 0.23 0.00 0.00 0.52 0.00 0.00 0.00 178.15 178.90 1wg5 n VAL 33 N -4.85 -0.30 -0.00 1.67 0.31 0.13 0.14 118.33 115.43 1wg5 n VAL 33 Ca -0.13 1.60 -0.17 0.00 -0.01 0.00 0.00 64.34 65.63 1wg5 n VAL 33 Cb 0.41 -2.33 -0.10 0.00 -0.91 0.00 0.00 33.84 30.91 1wg5 n VAL 33 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1wg5 h GLN 34 N 0.00 0.47 -1.01 5.55 4.20 -1.66 -3.19 115.11 119.46 1wg5 h GLN 34 Ca 0.43 -0.46 0.29 0.00 0.06 0.00 0.00 58.65 58.98 1wg5 h GLN 34 Cb 0.88 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.74 1wg5 h GLN 34 CO -0.69 1.11 0.79 0.35 -0.67 0.00 0.00 178.83 179.72 1wg5 h PHE 35 N 0.00 0.00 -0.92 2.96 3.57 0.37 0.79 116.94 123.72 1wg5 h PHE 35 Ca -0.07 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.90 1wg5 h PHE 35 Cb 1.30 0.00 -0.29 0.00 2.79 0.00 0.00 35.95 39.75 1wg5 h PHE 35 CO 0.13 0.00 0.58 1.19 -2.23 0.00 0.00 178.31 177.99 1wg5 n PHE 36 N -4.03 2.88 -1.42 0.41 3.72 -0.48 -5.02 117.46 113.52 1wg5 n PHE 36 Ca 0.22 -2.19 -0.40 0.00 -0.05 0.00 0.00 57.45 55.03 1wg5 n PHE 36 Cb 1.13 -1.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.67 1wg5 n PHE 36 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wg5 n SER 37 N -1.06 -1.50 0.00 4.37 2.88 0.28 -1.23 113.62 117.35 1wg5 n SER 37 Ca 0.57 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 1wg5 n SER 37 Cb 1.28 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1wg5 n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg5 n GLY 38 N 1.93 2.83 3.93 0.46 0.00 -1.26 -4.99 105.19 108.08 1wg5 n GLY 38 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1wg5 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg5 s LEU 39 N 0.00 4.18 -0.22 0.99 1.43 -0.37 -5.09 118.68 119.60 1wg5 s LEU 39 Ca 0.00 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1wg5 s LEU 39 Cb 0.00 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 1wg5 s LEU 39 CO 0.00 -0.10 -0.03 -0.70 0.23 0.00 0.00 176.35 175.75 1wg5 s GLU 40 N -3.52 3.43 0.13 1.70 2.12 -1.26 -5.01 118.70 116.28 1wg5 s GLU 40 Ca 0.39 -0.60 0.08 0.00 0.36 0.00 0.00 54.97 55.20 1wg5 s GLU 40 Cb -0.11 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1wg5 s GLU 40 CO 0.30 -0.17 -0.11 0.42 -0.54 0.00 0.00 175.26 175.16 1wg5 s ILE 41 N 1.44 3.25 0.57 -3.70 1.01 -1.26 -2.16 121.20 120.36 1wg5 s ILE 41 Ca 0.05 -1.41 -0.17 0.00 0.00 0.00 0.00 60.65 59.13 1wg5 s ILE 41 Cb -0.14 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 1wg5 s ILE 41 CO -0.02 0.05 1.06 0.68 0.00 0.00 0.00 174.94 176.71 1wg5 s VAL 42 N -1.33 3.70 0.14 2.92 -7.23 -1.11 -4.81 120.40 112.68 1wg5 s VAL 42 Ca 0.22 0.88 -0.31 0.00 -1.81 0.00 0.00 61.98 60.96 1wg5 s VAL 42 Cb -0.10 -3.36 -0.08 0.00 0.56 0.00 0.00 36.38 33.39 1wg5 s VAL 42 CO 0.14 -0.40 1.34 -2.16 -0.31 0.00 0.00 175.10 173.71 1wg5 s PRO 43 N -3.81 4.36 -1.80 4.82 0.04 -1.26 -2.74 135.00 134.61 1wg5 s PRO 43 Ca 0.66 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1wg5 s PRO 43 Cb -0.17 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1wg5 s PRO 43 CO 0.33 -0.35 0.00 0.09 0.04 0.00 0.00 177.00 177.11 1wg5 n ASN 44 N 3.41 -5.62 -2.18 6.66 3.02 -1.26 -4.87 115.26 114.42 1wg5 n ASN 44 Ca 0.09 0.10 -0.25 0.00 -0.03 0.00 0.00 54.58 54.49 1wg5 n ASN 44 Cb 0.43 -4.70 0.16 0.00 -0.61 0.00 0.00 39.78 35.06 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wg5 n GLY 45 N -0.90 4.84 3.15 7.41 0.00 -1.11 -4.93 105.19 113.65 1wg5 n GLY 45 Ca -0.23 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 1wg5 n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wg5 s MET 46 N -3.41 1.36 -0.07 1.61 -1.94 -1.26 -0.08 119.30 115.50 1wg5 s MET 46 Ca 0.58 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 53.99 1wg5 s MET 46 Cb 0.48 -1.31 0.01 0.00 2.01 0.00 0.00 34.83 36.02 1wg5 s MET 46 CO 0.08 0.36 -0.15 0.99 -0.01 0.00 0.00 175.02 176.29 1wg5 s THR 47 N -0.39 1.33 -0.39 2.05 2.01 0.27 -4.97 115.64 115.55 1wg5 s THR 47 Ca 0.06 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1wg5 s THR 47 Cb -0.06 -1.19 0.12 0.00 0.01 0.00 0.00 72.50 71.37 1wg5 s THR 47 CO -0.01 0.40 0.18 -0.76 -0.69 0.00 0.00 174.62 173.74 1wg5 s LEU 48 N 0.60 2.58 1.13 4.42 1.43 -1.26 -0.86 118.68 126.72 1wg5 s LEU 48 Ca -0.15 -2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 50.54 1wg5 s LEU 48 Cb -0.16 -0.98 0.25 0.00 0.03 0.00 0.00 46.19 45.33 1wg5 s LEU 48 CO 0.05 -0.33 1.10 -2.16 0.23 0.00 0.00 176.35 175.24 1wg5 s PRO 49 N 0.85 -0.64 0.20 1.29 0.04 -1.26 -4.97 135.00 130.51 1wg5 s PRO 49 Ca 0.15 0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.36 1wg5 s PRO 49 Cb -0.22 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1wg5 s PRO 49 CO -0.09 -3.37 0.21 1.33 0.04 0.00 0.00 177.00 175.12 1wg5 n VAL 50 N -4.56 0.00 -2.25 -0.36 0.24 -1.26 -3.15 118.33 106.99 1wg5 n VAL 50 Ca 0.10 -1.31 -0.08 0.00 -2.04 0.00 0.00 64.34 61.01 1wg5 n VAL 50 Cb 0.59 0.70 0.04 0.00 -1.47 0.00 0.00 33.84 33.69 1wg5 n VAL 50 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wg5 n ASP 51 N -2.10 0.40 0.08 -1.34 9.92 -0.26 -4.65 116.55 118.61 1wg5 n ASP 51 Ca 0.03 -1.36 0.09 0.00 -0.53 0.00 0.00 54.79 53.02 1wg5 n ASP 51 Cb 0.35 -0.23 0.39 0.00 -0.64 0.00 0.00 41.12 40.99 1wg5 n ASP 51 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1wg5 n PHE 52 N -1.95 0.45 -0.10 1.24 7.35 -1.26 -2.39 117.46 120.80 1wg5 n PHE 52 Ca 0.06 0.19 -0.11 0.00 -0.76 0.00 0.00 57.45 56.83 1wg5 n PHE 52 Cb 0.20 -0.81 -0.14 0.00 0.35 0.00 0.00 39.48 39.08 1wg5 n PHE 52 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1wg5 n GLN 53 N -1.93 0.87 0.00 -4.13 3.00 -1.26 -5.01 117.38 108.92 1wg5 n GLN 53 Ca 0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1wg5 n GLN 53 Cb 0.15 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.91 1wg5 n GLN 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wg5 n GLY 54 N 2.01 1.73 3.23 1.08 0.00 -1.01 -5.13 105.19 107.11 1wg5 n GLY 54 Ca -0.34 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1wg5 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wg5 s ARG 55 N 0.00 3.11 0.11 1.61 0.52 -1.26 -4.75 118.95 118.29 1wg5 s ARG 55 Ca 0.00 -0.79 -0.22 0.00 -0.52 0.00 0.00 55.73 54.20 1wg5 s ARG 55 Cb 0.00 -2.91 -0.13 0.00 0.52 0.00 0.00 34.95 32.44 1wg5 s ARG 55 CO 0.00 -0.27 0.46 0.45 0.02 0.00 0.00 175.30 175.97 1wg5 n SER 56 N 4.72 -0.70 -1.64 0.23 2.88 -1.26 -1.10 113.62 116.74 1wg5 n SER 56 Ca -0.18 0.82 -0.12 0.00 -1.33 0.00 0.00 58.87 58.05 1wg5 n SER 56 Cb 0.49 -0.68 0.08 0.00 -0.75 0.00 0.00 64.21 63.36 1wg5 n SER 56 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1wg5 n THR 57 N 0.24 2.18 -1.41 2.46 -2.24 -1.19 -4.71 114.28 109.61 1wg5 n THR 57 Ca 0.13 -1.04 -0.15 0.00 -2.27 0.00 0.00 64.05 60.72 1wg5 n THR 57 Cb 0.15 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.50 1wg5 n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wg5 n GLY 58 N -0.23 1.41 3.39 3.38 0.00 -1.26 -4.85 105.19 107.03 1wg5 n GLY 58 Ca 0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 1wg5 n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wg5 s GLU 59 N -3.21 1.45 0.00 1.61 2.02 -1.26 -0.34 118.70 118.97 1wg5 s GLU 59 Ca 0.00 -1.71 -0.29 0.00 0.02 0.00 0.00 54.97 52.99 1wg5 s GLU 59 Cb 0.00 -1.05 0.10 0.00 0.10 0.00 0.00 34.13 33.28 1wg5 s GLU 59 CO 0.00 0.05 0.92 0.00 0.02 0.00 0.00 175.26 176.25 1wg5 s ALA 60 N -3.08 -1.82 -0.15 5.21 0.00 -1.06 -4.33 121.76 116.53 1wg5 s ALA 60 Ca 0.27 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 53.15 1wg5 s ALA 60 Cb 0.03 0.42 0.05 0.00 0.00 0.00 0.00 23.12 23.61 1wg5 s ALA 60 CO 0.10 -0.73 0.01 -0.06 0.00 0.00 0.00 175.76 175.07 1wg5 s PHE 61 N -3.10 1.05 -0.02 0.00 0.08 -0.04 -0.31 117.98 115.65 1wg5 s PHE 61 Ca 0.06 -0.69 -0.00 0.00 0.12 0.00 0.00 56.93 56.42 1wg5 s PHE 61 Cb -0.01 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 1wg5 s PHE 61 CO -0.07 -0.52 0.05 0.08 -0.10 0.00 0.00 175.22 174.65 1wg5 s VAL 62 N 1.85 4.54 -0.34 -0.44 1.01 0.14 -0.57 120.40 126.58 1wg5 s VAL 62 Ca 0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1wg5 s VAL 62 Cb -0.15 -3.03 0.08 0.00 0.00 0.00 0.00 36.38 33.28 1wg5 s VAL 62 CO -0.07 0.42 0.08 -1.58 0.00 0.00 0.00 175.10 173.94 1wg5 s GLN 63 N -1.50 2.11 0.70 2.72 0.74 0.88 0.29 119.66 125.60 1wg5 s GLN 63 Ca 0.20 -1.57 -0.12 0.00 0.05 0.00 0.00 55.36 53.91 1wg5 s GLN 63 Cb -0.12 -3.32 0.02 0.00 1.10 0.00 0.00 33.01 30.69 1wg5 s GLN 63 CO 0.10 -0.84 1.07 -0.06 -0.55 0.00 0.00 175.29 175.02 1wg5 s PHE 64 N 1.15 2.88 0.39 1.67 0.08 0.68 -2.76 117.98 122.07 1wg5 s PHE 64 Ca 0.02 1.49 0.16 0.00 0.12 0.00 0.00 56.93 58.72 1wg5 s PHE 64 Cb -0.21 -2.98 1.04 0.00 -0.57 0.00 0.00 43.02 40.30 1wg5 s PHE 64 CO -0.04 -1.44 1.81 0.00 -0.10 0.00 0.00 175.22 175.46 1wg5 h ALA 65 N -0.60 2.14 -2.88 5.36 0.00 -1.69 -3.41 119.26 118.19 1wg5 h ALA 65 Ca -0.44 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1wg5 h ALA 65 Cb 1.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1wg5 h ALA 65 CO 0.55 -0.49 0.34 -1.54 0.00 0.00 0.00 179.25 178.11 1wg5 s SER 66 N -5.47 -0.04 0.04 0.00 1.04 -1.26 -4.93 113.70 103.09 1wg5 s SER 66 Ca -0.09 -0.95 -0.24 0.00 0.48 0.00 0.00 55.95 55.15 1wg5 s SER 66 Cb 0.24 0.75 -0.17 0.00 0.10 0.00 0.00 66.02 66.94 1wg5 s SER 66 CO 0.79 -1.48 1.53 -0.61 0.98 0.00 0.00 173.24 174.45 1wg5 h GLN 67 N 2.00 -0.02 -1.23 4.02 -0.00 -1.78 -1.86 115.11 116.25 1wg5 h GLN 67 Ca -0.29 0.00 0.35 0.00 -0.00 0.00 0.00 58.65 58.71 1wg5 h GLN 67 Cb 1.24 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 28.64 1wg5 h GLN 67 CO 0.37 0.19 0.83 1.05 0.00 0.00 0.00 178.83 181.28 1wg5 h GLU 68 N -0.23 0.15 0.08 1.69 4.11 -1.97 0.64 114.58 119.05 1wg5 h GLU 68 Ca -0.00 -0.01 -0.27 0.00 0.07 0.00 0.00 59.36 59.15 1wg5 h GLU 68 Cb 0.22 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1wg5 h GLU 68 CO 0.00 0.10 -1.33 0.82 0.07 0.00 0.00 179.01 178.67 1wg5 h ILE 69 N 0.16 1.36 -0.47 -1.06 2.04 -1.89 -3.31 117.51 114.34 1wg5 h ILE 69 Ca 0.66 -3.03 -0.01 0.00 1.00 0.00 0.00 64.86 63.48 1wg5 h ILE 69 Cb 2.19 2.80 -0.02 0.00 -0.74 0.00 0.00 36.82 41.04 1wg5 h ILE 69 CO -0.20 0.85 0.25 0.00 0.00 0.00 0.00 178.15 179.05 1wg5 h ALA 70 N 0.70 0.60 -0.51 1.87 0.00 0.11 -2.81 119.26 119.22 1wg5 h ALA 70 Ca -0.16 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1wg5 h ALA 70 Cb 1.94 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 1wg5 h ALA 70 CO 0.16 0.13 0.23 0.93 0.00 0.00 0.00 179.25 180.69 1wg5 h GLU 71 N 0.62 0.43 -0.63 0.00 5.08 -1.36 -0.24 114.58 118.47 1wg5 h GLU 71 Ca 0.16 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.59 1wg5 h GLU 71 Cb 0.06 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1wg5 h GLU 71 CO -0.03 0.28 0.42 0.87 -1.00 0.00 0.00 179.01 179.56 1wg5 h LYS 72 N 0.44 0.46 0.00 2.33 1.57 -1.59 0.07 116.57 119.86 1wg5 h LYS 72 Ca 0.24 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1wg5 h LYS 72 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1wg5 h LYS 72 CO -0.20 0.31 -0.61 0.00 -0.57 0.00 0.00 179.45 178.38 1wg5 h ALA 73 N 1.68 0.62 -0.75 3.86 0.00 -0.97 -3.27 119.26 120.43 1wg5 h ALA 73 Ca 0.29 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1wg5 h ALA 73 Cb 0.50 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1wg5 h ALA 73 CO -0.09 0.76 0.50 -0.07 0.00 0.00 0.00 179.25 180.35 1wg5 h LEU 74 N 0.00 0.83 0.00 0.00 3.38 0.69 0.46 115.31 120.66 1wg5 h LEU 74 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wg5 h LEU 74 Cb 1.44 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1wg5 h LEU 74 CO 0.08 0.58 0.00 0.29 0.09 0.00 0.00 178.44 179.48 1wg5 n LYS 75 N -4.44 0.02 -0.57 1.13 4.76 -1.15 -2.17 118.16 115.73 1wg5 n LYS 75 Ca 0.09 0.34 -0.08 0.00 -2.87 0.00 0.00 58.31 55.79 1wg5 n LYS 75 Cb 0.08 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 31.89 1wg5 n LYS 75 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wg5 n LYS 76 N -1.47 1.98 -1.89 1.97 5.02 0.15 -4.94 118.16 118.98 1wg5 n LYS 76 Ca 0.02 -1.53 -0.33 0.00 -2.02 0.00 0.00 58.31 54.45 1wg5 n LYS 76 Cb 0.09 -1.67 0.03 0.00 -0.02 0.00 0.00 35.03 33.46 1wg5 n LYS 76 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1wg5 s HIS 77 N -1.72 2.79 0.00 2.13 2.46 -0.92 -2.94 115.29 117.09 1wg5 s HIS 77 Ca 0.28 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.34 1wg5 s HIS 77 Cb 0.23 -3.10 0.00 0.00 -0.13 0.00 0.00 32.58 29.59 1wg5 s HIS 77 CO 0.06 -1.42 0.00 1.63 -2.47 0.00 0.00 174.74 172.54 1wg5 n LYS 78 N -2.23 -1.18 -2.25 2.88 4.76 0.16 -4.91 118.16 115.40 1wg5 n LYS 78 Ca 0.10 0.29 -0.43 0.00 -2.87 0.00 0.00 58.31 55.40 1wg5 n LYS 78 Cb 0.52 -4.52 -0.02 0.00 -1.84 0.00 0.00 35.03 29.17 1wg5 n LYS 78 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wg5 s GLU 79 N -1.42 3.67 0.22 1.97 0.41 -1.03 -4.04 118.70 118.49 1wg5 s GLU 79 Ca 0.00 1.27 -0.25 0.00 -0.41 0.00 0.00 54.97 55.58 1wg5 s GLU 79 Cb 0.00 -4.02 -0.09 0.00 -1.78 0.00 0.00 34.13 28.24 1wg5 s GLU 79 CO 0.00 -1.44 0.83 -0.98 -0.49 0.00 0.00 175.26 173.18 1wg5 s ARG 80 N 4.80 4.56 -0.67 1.61 1.04 -1.26 -0.89 118.95 128.15 1wg5 s ARG 80 Ca 0.66 1.20 -0.02 0.00 -1.04 0.00 0.00 55.73 56.52 1wg5 s ARG 80 Cb -0.19 -3.10 0.17 0.00 -2.04 0.00 0.00 34.95 29.79 1wg5 s ARG 80 CO 0.30 0.47 0.50 0.42 -0.04 0.00 0.00 175.30 176.95 1wg5 s ILE 81 N -1.32 3.80 0.00 4.99 1.01 -0.96 -4.78 121.20 123.94 1wg5 s ILE 81 Ca 0.41 -3.15 0.00 0.00 0.00 0.00 0.00 60.65 57.91 1wg5 s ILE 81 Cb -0.22 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1wg5 s ILE 81 CO 0.26 -0.92 0.00 0.61 0.00 0.00 0.00 174.94 174.89 1wg5 n GLY 82 N 3.25 2.67 1.83 6.18 0.00 -1.26 -4.32 105.19 113.54 1wg5 n GLY 82 Ca 0.10 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 1wg5 n GLY 82 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wg5 n HIS 83 N 0.00 -0.17 -3.15 1.61 1.44 -1.26 -5.12 115.22 108.57 1wg5 n HIS 83 Ca 0.00 -0.24 0.04 0.00 -2.01 0.00 0.00 57.72 55.51 1wg5 n HIS 83 Cb 0.00 0.74 -0.01 0.00 0.12 0.00 0.00 29.99 30.84 1wg5 n HIS 83 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wg5 s ARG 84 N 0.01 0.47 0.31 -1.40 1.81 -1.26 -5.06 118.95 113.83 1wg5 s ARG 84 Ca 0.01 0.73 -0.28 0.00 -1.72 0.00 0.00 55.73 54.47 1wg5 s ARG 84 Cb 0.03 0.39 -0.13 0.00 -0.45 0.00 0.00 34.95 34.80 1wg5 s ARG 84 CO -0.01 -0.62 1.20 0.66 -0.68 0.00 0.00 175.30 175.85 1wg5 n TYR 85 N 5.42 1.87 -4.34 -0.53 4.01 -1.26 -2.26 117.16 120.07 1wg5 n TYR 85 Ca -0.00 0.60 -0.34 0.00 -0.16 0.00 0.00 57.90 58.00 1wg5 n TYR 85 Cb 0.53 -2.36 -0.13 0.00 -0.31 0.00 0.00 39.34 37.07 1wg5 n TYR 85 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wg5 s ILE 86 N -0.95 3.50 -0.33 -0.72 -1.09 -0.06 -4.63 121.20 116.91 1wg5 s ILE 86 Ca 0.58 -0.48 -0.14 0.00 -2.23 0.00 0.00 60.65 58.38 1wg5 s ILE 86 Cb -0.63 -2.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.69 1wg5 s ILE 86 CO 0.60 0.48 0.30 -1.61 -1.23 0.00 0.00 174.94 173.48 1wg5 s GLU 87 N 0.74 3.58 -0.17 2.79 2.02 0.77 0.37 118.70 128.80 1wg5 s GLU 87 Ca -0.03 -0.48 -0.07 0.00 0.02 0.00 0.00 54.97 54.41 1wg5 s GLU 87 Cb -0.15 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 1wg5 s GLU 87 CO 0.02 -0.46 0.06 0.42 0.02 0.00 0.00 175.26 175.31 1wg5 s ILE 88 N 1.89 4.74 -0.09 -1.63 1.01 -1.26 0.19 121.20 126.06 1wg5 s ILE 88 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.67 1wg5 s ILE 88 Cb -0.17 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.21 1wg5 s ILE 88 CO 0.11 0.48 -0.00 -0.36 0.00 0.00 0.00 174.94 175.17 1wg5 s PHE 89 N 0.21 0.80 -0.16 3.97 0.08 0.37 -4.89 117.98 118.36 1wg5 s PHE 89 Ca 0.04 -0.31 -0.36 0.00 0.12 0.00 0.00 56.93 56.42 1wg5 s PHE 89 Cb -0.12 -0.88 -0.17 0.00 -0.57 0.00 0.00 43.02 41.28 1wg5 s PHE 89 CO 0.01 -0.38 1.07 1.17 -0.10 0.00 0.00 175.22 176.98 1wg5 n LYS 90 N 5.11 0.00 -4.42 0.44 0.00 -1.26 -1.18 118.16 116.85 1wg5 n LYS 90 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.03 1wg5 n LYS 90 Cb 0.50 -1.27 -0.10 0.00 0.00 0.00 0.00 35.03 34.16 1wg5 n LYS 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wg5 s SER 91 N 0.94 2.12 0.08 3.14 0.15 0.45 -4.70 113.70 115.88 1wg5 s SER 91 Ca 0.81 -1.40 0.03 0.00 0.70 0.00 0.00 55.95 56.09 1wg5 s SER 91 Cb -1.14 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 63.15 1wg5 s SER 91 CO 0.56 -0.66 -0.09 -0.44 1.20 0.00 0.00 173.24 173.80 1wg5 s SER 92 N -3.45 1.30 0.31 5.45 0.01 -1.26 -3.15 113.70 112.90 1wg5 s SER 92 Ca 0.36 -0.78 0.04 0.00 1.31 0.00 0.00 55.95 56.88 1wg5 s SER 92 Cb 0.08 0.02 0.81 0.00 0.21 0.00 0.00 66.02 67.14 1wg5 s SER 92 CO 0.15 -0.27 1.60 -0.09 0.41 0.00 0.00 173.24 175.03 1wg5 h ARG 93 N 3.69 0.07 0.77 12.44 2.43 -1.93 -0.27 114.38 131.58 1wg5 h ARG 93 Ca -0.37 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.76 1wg5 h ARG 93 Cb 1.19 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1wg5 h ARG 93 CO 0.52 0.04 -0.37 0.00 -1.51 0.00 0.00 179.97 178.65 1wg5 h ALA 94 N 1.92 -1.04 -0.98 2.80 0.00 -1.96 -3.06 119.26 116.94 1wg5 h ALA 94 Ca 0.61 -0.24 0.28 0.00 0.00 0.00 0.00 54.91 55.57 1wg5 h ALA 94 Cb 1.31 0.40 -0.18 0.00 0.00 0.00 0.00 17.79 19.32 1wg5 h ALA 94 CO -0.81 -1.01 0.07 0.39 0.00 0.00 0.00 179.25 177.88 1wg5 n GLU 95 N -5.49 -0.08 -0.98 0.00 -0.58 -0.18 -4.47 120.64 108.86 1wg5 n GLU 95 Ca -0.14 1.46 -0.39 0.00 -0.42 0.00 0.00 57.16 57.68 1wg5 n GLU 95 Cb 0.42 -2.35 -0.10 0.00 -0.57 0.00 0.00 31.44 28.84 1wg5 n GLU 95 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1wg5 n VAL 96 N -5.45 0.00 -1.09 2.62 0.31 -0.82 -4.38 118.33 109.52 1wg5 n VAL 96 Ca 0.24 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.71 1wg5 n VAL 96 Cb 0.80 -0.37 -0.04 0.00 -0.91 0.00 0.00 33.84 33.33 1wg5 n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wg5 n ARG 97 N 5.76 -2.14 0.00 5.55 5.12 -1.26 -4.94 116.66 124.74 1wg5 n ARG 97 Ca 0.43 1.49 0.00 0.00 -1.93 0.00 0.00 57.85 57.84 1wg5 n ARG 97 Cb -0.01 -2.65 0.00 0.00 -1.16 0.00 0.00 32.46 28.64 1wg5 n ARG 97 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1wg5 n THR 98 N -3.36 0.00 -4.72 0.55 -2.24 -1.26 -5.03 114.28 98.22 1wg5 n THR 98 Ca -0.01 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1wg5 n THR 98 Cb 0.62 -0.16 -0.16 0.00 -2.10 0.00 0.00 70.33 68.54 1wg5 n THR 98 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wg5 s SER 99 N -3.44 3.49 0.29 3.42 0.01 -1.26 -5.12 113.70 111.09 1wg5 s SER 99 Ca 0.00 -0.49 -0.05 0.00 1.31 0.00 0.00 55.95 56.72 1wg5 s SER 99 Cb 0.00 -1.52 -0.05 0.00 0.21 0.00 0.00 66.02 64.66 1wg5 s SER 99 CO 0.00 0.11 0.56 -0.83 0.41 0.00 0.00 173.24 173.48 1wg5 s GLY 100 N 0.66 1.87 0.73 3.44 0.00 -1.26 -5.08 107.32 107.68 1wg5 s GLY 100 Ca -0.09 -0.55 -0.12 0.00 0.00 0.00 0.00 44.72 43.96 1wg5 s GLY 100 CO 0.02 -0.44 1.10 2.56 0.00 0.00 0.00 173.10 176.34 1wg5 s PRO 101 N -3.53 2.46 0.00 2.90 0.04 -1.26 -4.98 135.00 130.63 1wg5 s PRO 101 Ca 0.44 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1wg5 s PRO 101 Cb -0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1wg5 s PRO 101 CO 0.30 -1.50 0.00 0.45 0.04 0.00 0.00 177.00 176.29 1wg5 n SER 102 N -3.09 0.41 -3.24 6.66 2.88 -1.26 -4.89 113.62 111.08 1wg5 n SER 102 Ca 0.10 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.26 1wg5 n SER 102 Cb 0.53 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1wg5 n SER 102 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg5 n SER 103 N -1.30 7.45 -0.51 -3.46 7.64 -1.26 -5.39 113.62 116.78 1wg5 n SER 103 Ca 0.00 -3.45 0.14 0.00 1.01 0.00 0.00 58.87 56.57 1wg5 n SER 103 Cb 0.05 -1.23 0.50 0.00 -1.01 0.00 0.00 64.21 62.52 1wg5 n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64