#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 6.32 0.16 1.61 0.01 -1.26 -5.02 113.70 115.52 1wg5 s SER 2 Ca 0.00 0.60 -0.34 0.00 1.31 0.00 0.00 55.95 57.52 1wg5 s SER 2 Cb 0.00 -2.10 -0.15 0.00 0.21 0.00 0.00 66.02 63.98 1wg5 s SER 2 CO 0.00 -0.33 1.39 -1.54 0.41 0.00 0.00 173.24 173.17 1wg5 n SER 3 N -1.70 2.24 0.00 2.44 3.41 -1.26 -4.39 113.62 114.36 1wg5 n SER 3 Ca -0.03 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1wg5 n SER 3 Cb 0.55 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1wg5 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg5 n GLY 4 N 2.60 0.59 3.75 5.00 0.00 -1.26 -5.12 105.19 110.75 1wg5 n GLY 4 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1wg5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg5 s SER 5 N -0.88 6.67 -0.80 1.61 0.01 -1.26 -4.97 113.70 114.08 1wg5 s SER 5 Ca 0.00 2.68 -0.10 0.00 1.31 0.00 0.00 55.95 59.84 1wg5 s SER 5 Cb 0.00 -2.63 0.21 0.00 0.21 0.00 0.00 66.02 63.81 1wg5 s SER 5 CO 0.00 -0.67 0.71 -0.55 0.41 0.00 0.00 173.24 173.14 1wg5 s SER 6 N 0.18 6.34 0.00 2.44 0.15 -1.26 -4.94 113.70 116.61 1wg5 s SER 6 Ca 0.57 -2.89 0.00 0.00 0.70 0.00 0.00 55.95 54.33 1wg5 s SER 6 Cb -0.41 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1wg5 s SER 6 CO 0.46 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1wg5 n GLY 7 N 3.61 0.90 0.21 9.45 0.00 -1.26 -4.87 105.19 113.23 1wg5 n GLY 7 Ca 0.14 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1wg5 n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wg5 n ASN 8 N 0.00 -0.25 -3.82 1.61 2.85 -1.26 -5.15 115.26 109.24 1wg5 n ASN 8 Ca 0.00 0.32 -0.12 0.00 -0.11 0.00 0.00 54.58 54.67 1wg5 n ASN 8 Cb 0.00 0.52 -0.11 0.00 1.24 0.00 0.00 39.78 41.43 1wg5 n ASN 8 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1wg5 s SER 9 N -2.00 -0.15 0.25 1.20 0.01 -1.26 -5.15 113.70 106.60 1wg5 s SER 9 Ca 0.00 0.22 -0.30 0.00 1.31 0.00 0.00 55.95 57.19 1wg5 s SER 9 Cb 0.00 0.35 -0.09 0.00 0.21 0.00 0.00 66.02 66.49 1wg5 s SER 9 CO 0.00 -0.18 1.27 -2.16 0.41 0.00 0.00 173.24 172.58 1wg5 s PRO 10 N -0.39 4.42 -0.16 12.44 0.04 -1.26 -5.04 135.00 145.05 1wg5 s PRO 10 Ca -0.05 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.96 1wg5 s PRO 10 Cb -0.03 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.41 1wg5 s PRO 10 CO 0.01 -0.16 0.38 0.16 0.04 0.00 0.00 177.00 177.43 1wg5 s ASP 11 N -0.08 -0.37 -0.47 6.66 1.47 -1.26 -5.09 116.67 117.54 1wg5 s ASP 11 Ca 0.53 0.84 0.07 0.00 1.18 0.00 0.00 52.55 55.17 1wg5 s ASP 11 Cb -0.36 0.83 0.25 0.00 -0.34 0.00 0.00 42.92 43.30 1wg5 s ASP 11 CO 0.42 -0.20 0.59 0.35 0.68 0.00 0.00 175.17 177.02 1wg5 n THR 12 N 4.56 0.32 0.03 2.11 -2.24 -1.26 -4.86 114.28 112.94 1wg5 n THR 12 Ca -0.19 -4.41 0.00 0.00 -2.27 0.00 0.00 64.05 57.18 1wg5 n THR 12 Cb 0.53 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 1wg5 n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wg5 n ALA 13 N 1.23 2.90 -2.34 6.98 0.00 -1.26 -5.14 120.51 122.89 1wg5 n ALA 13 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.65 1wg5 n ALA 13 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1wg5 n ALA 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wg5 n ASN 14 N -2.71 -4.56 -0.09 0.00 3.02 -1.26 -5.00 115.26 104.66 1wg5 n ASN 14 Ca 0.00 1.43 -0.10 0.00 -0.03 0.00 0.00 54.58 55.88 1wg5 n ASN 14 Cb 0.00 -4.79 -0.12 0.00 -0.61 0.00 0.00 39.78 34.26 1wg5 n ASN 14 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wg5 n ASP 15 N 1.58 1.51 0.00 6.41 8.00 -1.26 -4.39 116.55 128.40 1wg5 n ASP 15 Ca -0.20 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1wg5 n ASP 15 Cb 0.30 0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 1wg5 n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wg5 n GLY 16 N 2.18 1.37 3.77 0.44 0.00 -1.26 -2.69 105.19 109.02 1wg5 n GLY 16 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.00 2.96 0.01 1.61 0.08 -1.25 -2.68 117.98 116.72 1wg5 s PHE 17 Ca 0.00 1.56 -0.03 0.00 0.12 0.00 0.00 56.93 58.58 1wg5 s PHE 17 Cb 0.00 -3.30 -0.01 0.00 -0.57 0.00 0.00 43.02 39.14 1wg5 s PHE 17 CO 0.00 -1.27 0.04 0.14 -0.10 0.00 0.00 175.22 174.04 1wg5 s VAL 18 N -1.61 0.10 -0.09 -0.44 -7.23 0.01 -1.02 120.40 110.12 1wg5 s VAL 18 Ca 0.63 -0.80 0.02 0.00 -1.81 0.00 0.00 61.98 60.02 1wg5 s VAL 18 Cb -0.26 -0.33 -0.02 0.00 0.56 0.00 0.00 36.38 36.33 1wg5 s VAL 18 CO 0.32 -0.44 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.94 1wg5 s ARG 19 N -1.39 2.95 0.04 4.82 3.52 0.56 -1.51 118.95 127.94 1wg5 s ARG 19 Ca -0.15 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 54.81 1wg5 s ARG 19 Cb -0.09 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 1wg5 s ARG 19 CO 0.00 0.43 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.35 1wg5 s LEU 20 N -0.21 3.23 -0.05 -0.88 1.43 0.70 0.00 118.68 122.92 1wg5 s LEU 20 Ca 0.01 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1wg5 s LEU 20 Cb -0.13 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1wg5 s LEU 20 CO 0.03 0.24 0.08 -0.13 0.23 0.00 0.00 176.35 176.80 1wg5 s ARG 21 N -1.79 -0.03 0.00 1.70 0.52 0.13 -2.56 118.95 116.93 1wg5 s ARG 21 Ca 0.20 0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.78 1wg5 s ARG 21 Cb -0.11 -0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.00 1wg5 s ARG 21 CO 0.11 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.58 1wg5 n GLY 22 N 4.90 1.28 3.77 -3.53 0.00 0.78 -0.18 105.19 112.21 1wg5 n GLY 22 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 4.11 0.94 0.99 1.43 -0.81 -4.48 118.68 120.85 1wg5 s LEU 23 Ca 0.00 2.24 -0.12 0.00 -1.03 0.00 0.00 54.13 55.22 1wg5 s LEU 23 Cb 0.00 -4.15 0.15 0.00 0.03 0.00 0.00 46.19 42.22 1wg5 s LEU 23 CO 0.00 -0.71 1.09 -2.16 0.23 0.00 0.00 176.35 174.80 1wg5 s PRO 24 N -2.50 0.94 -0.10 1.29 0.04 -1.26 -4.69 135.00 128.71 1wg5 s PRO 24 Ca 0.60 0.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.05 1wg5 s PRO 24 Cb -0.27 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1wg5 s PRO 24 CO 0.34 -2.43 1.80 0.12 0.04 0.00 0.00 177.00 176.87 1wg5 s PHE 25 N -2.95 1.73 0.00 0.56 5.36 -1.26 -1.50 117.98 119.92 1wg5 s PHE 25 Ca 0.64 0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 1wg5 s PHE 25 Cb -0.18 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.48 1wg5 s PHE 25 CO 0.57 -4.05 0.00 0.41 -1.46 0.00 0.00 175.22 170.70 1wg5 n GLY 26 N 4.61 0.75 3.65 13.12 0.00 -1.26 -5.01 105.19 121.05 1wg5 n GLY 26 Ca 0.20 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.72 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 1.57 0.25 0.29 0.00 0.01 -1.26 -5.01 113.70 109.54 1wg5 s SER 28 Ca 0.85 -1.30 0.03 0.00 1.31 0.00 0.00 55.95 56.84 1wg5 s SER 28 Cb -0.83 0.33 0.70 0.00 0.21 0.00 0.00 66.02 66.43 1wg5 s SER 28 CO 0.47 -0.78 1.71 0.11 0.41 0.00 0.00 173.24 175.15 1wg5 h LYS 29 N 2.74 0.42 -0.93 12.44 1.57 -1.98 0.13 116.57 130.96 1wg5 h LYS 29 Ca -0.36 -0.03 0.25 0.00 -1.87 0.00 0.00 60.65 58.65 1wg5 h LYS 29 Cb 1.22 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.30 1wg5 h LYS 29 CO 0.56 0.28 0.42 0.93 -0.57 0.00 0.00 179.45 181.07 1wg5 h GLU 30 N 0.43 0.33 0.00 3.15 5.08 -1.98 0.52 114.58 122.12 1wg5 h GLU 30 Ca 0.54 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.68 1wg5 h GLU 30 Cb 1.00 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1wg5 h GLU 30 CO -0.50 0.22 -1.01 0.93 -1.00 0.00 0.00 179.01 177.65 1wg5 h GLU 31 N 0.34 0.00 0.51 2.33 4.39 -1.19 -3.35 114.58 117.62 1wg5 h GLU 31 Ca 0.61 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.29 1wg5 h GLU 31 Cb 1.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1wg5 h GLU 31 CO -0.58 0.90 -0.25 0.82 -1.16 0.00 0.00 179.01 178.74 1wg5 h ILE 32 N 0.00 0.00 -0.79 3.13 2.04 0.72 -1.44 117.51 121.16 1wg5 h ILE 32 Ca -0.03 -0.43 0.20 0.00 1.00 0.00 0.00 64.86 65.59 1wg5 h ILE 32 Cb 1.75 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.68 1wg5 h ILE 32 CO 0.12 0.00 -0.06 0.52 0.00 0.00 0.00 178.15 178.73 1wg5 n VAL 33 N -5.05 -0.33 -0.03 1.67 0.31 0.11 0.17 118.33 115.18 1wg5 n VAL 33 Ca -0.09 1.77 -0.17 0.00 -0.01 0.00 0.00 64.34 65.84 1wg5 n VAL 33 Cb 0.27 -2.53 -0.07 0.00 -0.91 0.00 0.00 33.84 30.60 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 0.81 -0.30 5.55 4.20 -1.68 -3.06 115.11 120.63 1wg5 h GLN 34 Ca 0.45 -0.64 0.09 0.00 0.06 0.00 0.00 58.65 58.60 1wg5 h GLN 34 Cb 0.85 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1wg5 h GLN 34 CO -0.77 1.25 0.42 0.35 -0.67 0.00 0.00 178.83 179.41 1wg5 h PHE 35 N 0.56 0.00 -0.67 2.96 3.57 0.28 0.38 116.94 124.03 1wg5 h PHE 35 Ca -0.05 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.07 1wg5 h PHE 35 Cb 1.38 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 39.90 1wg5 h PHE 35 CO 0.09 0.00 0.20 1.19 -2.23 0.00 0.00 178.31 177.55 1wg5 n PHE 36 N -3.49 2.12 -1.51 0.41 3.72 -0.58 -5.04 117.46 113.09 1wg5 n PHE 36 Ca 0.05 -1.94 -0.46 0.00 -0.05 0.00 0.00 57.45 55.06 1wg5 n PHE 36 Cb 0.56 -0.75 -0.02 0.00 -0.94 0.00 0.00 39.48 38.34 1wg5 n PHE 36 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wg5 n SER 37 N -1.07 0.21 0.00 4.37 3.41 0.13 -1.10 113.62 119.57 1wg5 n SER 37 Ca 0.46 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 60.22 1wg5 n SER 37 Cb 1.17 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1wg5 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg5 n GLY 38 N 1.54 3.07 3.94 5.00 0.00 -1.26 -5.02 105.19 112.46 1wg5 n GLY 38 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 4.24 -0.24 0.99 1.43 -0.26 -5.09 118.68 119.74 1wg5 s LEU 39 Ca 0.00 0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.36 1wg5 s LEU 39 Cb 0.00 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.15 1wg5 s LEU 39 CO 0.00 -0.06 -0.02 -0.70 0.23 0.00 0.00 176.35 175.80 1wg5 s GLU 40 N -3.57 3.17 0.17 1.70 2.12 -1.26 -5.02 118.70 116.00 1wg5 s GLU 40 Ca 0.37 -0.77 0.07 0.00 0.36 0.00 0.00 54.97 55.00 1wg5 s GLU 40 Cb -0.10 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1wg5 s GLU 40 CO 0.30 -0.31 0.02 0.42 -0.54 0.00 0.00 175.26 175.16 1wg5 s ILE 41 N 1.44 3.88 0.47 -3.70 1.01 -1.26 -1.97 121.20 121.06 1wg5 s ILE 41 Ca 0.04 -1.33 -0.21 0.00 0.00 0.00 0.00 60.65 59.15 1wg5 s ILE 41 Cb -0.16 -2.95 -0.09 0.00 0.01 0.00 0.00 42.46 39.28 1wg5 s ILE 41 CO -0.02 -0.09 1.02 0.68 0.00 0.00 0.00 174.94 176.53 1wg5 s VAL 42 N -1.70 3.90 -0.02 2.92 -7.23 -1.10 -4.77 120.40 112.39 1wg5 s VAL 42 Ca 0.28 1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 61.35 1wg5 s VAL 42 Cb -0.10 -3.50 -0.05 0.00 0.56 0.00 0.00 36.38 33.29 1wg5 s VAL 42 CO 0.19 -0.23 1.46 -2.16 -0.31 0.00 0.00 175.10 174.05 1wg5 s PRO 43 N -3.15 4.25 -0.66 4.82 0.04 -1.26 -2.50 135.00 136.53 1wg5 s PRO 43 Ca 0.65 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1wg5 s PRO 43 Cb -0.15 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1wg5 s PRO 43 CO 0.19 -0.66 0.00 0.09 0.04 0.00 0.00 177.00 176.67 1wg5 n ASN 44 N 5.84 -3.30 -2.17 6.66 4.13 -1.26 -4.92 115.26 120.24 1wg5 n ASN 44 Ca 0.14 0.09 -0.23 0.00 1.68 0.00 0.00 54.58 56.27 1wg5 n ASN 44 Cb 0.43 -1.92 0.18 0.00 -1.54 0.00 0.00 39.78 36.93 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wg5 n GLY 45 N -1.67 4.56 3.18 7.41 0.00 -1.04 -4.92 105.19 112.70 1wg5 n GLY 45 Ca -0.07 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.31 1.70 -0.04 1.61 -1.94 -1.26 -0.38 119.30 115.67 1wg5 s MET 46 Ca 0.56 -0.67 0.03 0.00 -1.71 0.00 0.00 55.69 53.90 1wg5 s MET 46 Cb 0.48 -1.56 0.01 0.00 2.01 0.00 0.00 34.83 35.77 1wg5 s MET 46 CO 0.10 0.35 -0.11 0.99 -0.01 0.00 0.00 175.02 176.33 1wg5 s THR 47 N -0.25 1.00 -0.37 2.05 2.01 0.40 -4.97 115.64 115.52 1wg5 s THR 47 Ca 0.02 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1wg5 s THR 47 Cb -0.09 -0.90 0.12 0.00 0.01 0.00 0.00 72.50 71.64 1wg5 s THR 47 CO 0.01 0.31 0.18 -0.76 -0.69 0.00 0.00 174.62 173.66 1wg5 s LEU 48 N 0.39 2.11 1.13 4.42 1.43 -1.26 -0.61 118.68 126.28 1wg5 s LEU 48 Ca -0.08 -2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 50.73 1wg5 s LEU 48 Cb -0.12 -0.82 0.25 0.00 0.03 0.00 0.00 46.19 45.53 1wg5 s LEU 48 CO 0.02 -0.34 1.10 -2.16 0.23 0.00 0.00 176.35 175.21 1wg5 s PRO 49 N 1.03 -0.61 0.26 1.29 0.04 -1.26 -4.95 135.00 130.81 1wg5 s PRO 49 Ca 0.14 0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.36 1wg5 s PRO 49 Cb -0.21 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1wg5 s PRO 49 CO -0.10 -3.35 0.28 1.33 0.04 0.00 0.00 177.00 175.20 1wg5 n VAL 50 N -4.54 0.00 -2.13 -0.36 0.24 -1.26 -2.78 118.33 107.50 1wg5 n VAL 50 Ca 0.10 -1.71 -0.14 0.00 -2.04 0.00 0.00 64.34 60.55 1wg5 n VAL 50 Cb 0.59 0.92 0.08 0.00 -1.47 0.00 0.00 33.84 33.95 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 -1.89 0.51 0.14 -1.34 8.00 0.06 -4.66 116.55 117.37 1wg5 n ASP 51 Ca 0.04 -1.50 0.10 0.00 0.71 0.00 0.00 54.79 54.15 1wg5 n ASP 51 Cb 0.47 -0.42 0.51 0.00 -0.02 0.00 0.00 41.12 41.66 1wg5 n ASP 51 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1wg5 n PHE 52 N -2.45 0.69 -0.09 1.24 7.35 -1.26 -1.89 117.46 121.05 1wg5 n PHE 52 Ca 0.09 0.33 -0.13 0.00 -0.76 0.00 0.00 57.45 56.97 1wg5 n PHE 52 Cb 0.32 -1.03 -0.14 0.00 0.35 0.00 0.00 39.48 38.98 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 -2.18 0.68 0.00 -4.13 1.13 -1.26 -5.00 117.38 106.61 1wg5 n GLN 53 Ca -0.00 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1wg5 n GLN 53 Cb 0.09 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 28.87 1wg5 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wg5 n GLY 54 N 1.91 1.76 3.41 1.08 0.00 -0.79 -5.13 105.19 107.43 1wg5 n GLY 54 Ca -0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 3.57 0.02 1.61 0.52 -1.26 -4.73 118.95 118.67 1wg5 s ARG 55 Ca 0.00 -0.53 -0.35 0.00 -0.52 0.00 0.00 55.73 54.33 1wg5 s ARG 55 Cb 0.00 -3.14 -0.18 0.00 0.52 0.00 0.00 34.95 32.15 1wg5 s ARG 55 CO 0.00 -0.11 0.92 0.43 0.02 0.00 0.00 175.30 176.56 1wg5 n SER 56 N 4.62 -0.13 -1.42 0.23 7.64 -1.26 -0.76 113.62 122.54 1wg5 n SER 56 Ca -0.17 1.05 -0.06 0.00 1.01 0.00 0.00 58.87 60.70 1wg5 n SER 56 Cb 0.51 -0.84 0.03 0.00 -1.01 0.00 0.00 64.21 62.91 1wg5 n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wg5 n THR 57 N 1.21 1.79 -1.01 0.44 -2.24 -1.12 -4.76 114.28 108.60 1wg5 n THR 57 Ca 0.18 -0.64 -0.06 0.00 -2.27 0.00 0.00 64.05 61.26 1wg5 n THR 57 Cb 0.09 -1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 67.23 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 0.40 0.59 3.44 3.38 0.00 -1.26 -4.83 105.19 106.90 1wg5 n GLY 58 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.19 1.56 -0.06 1.61 2.02 -1.26 -0.15 118.70 120.23 1wg5 s GLU 59 Ca 0.00 -1.60 -0.30 0.00 0.02 0.00 0.00 54.97 53.10 1wg5 s GLU 59 Cb 0.00 -1.82 0.09 0.00 0.10 0.00 0.00 34.13 32.50 1wg5 s GLU 59 CO 0.00 0.38 0.78 0.00 0.02 0.00 0.00 175.26 176.44 1wg5 s ALA 60 N -1.92 -1.80 -0.13 5.21 0.00 -1.06 -4.14 121.76 117.92 1wg5 s ALA 60 Ca 0.23 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.50 1wg5 s ALA 60 Cb -0.07 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1wg5 s ALA 60 CO 0.11 -0.42 -0.19 -0.06 0.00 0.00 0.00 175.76 175.21 1wg5 s PHE 61 N -1.60 2.35 -0.03 0.00 0.08 0.21 -0.21 117.98 118.78 1wg5 s PHE 61 Ca -0.06 -1.18 0.05 0.00 0.12 0.00 0.00 56.93 55.87 1wg5 s PHE 61 Cb -0.00 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1wg5 s PHE 61 CO 0.03 -0.57 -0.19 0.08 -0.10 0.00 0.00 175.22 174.47 1wg5 s VAL 62 N 0.95 2.66 -0.35 -0.44 1.01 -0.57 -0.45 120.40 123.21 1wg5 s VAL 62 Ca -0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1wg5 s VAL 62 Cb -0.15 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.31 1wg5 s VAL 62 CO -0.03 0.57 0.09 -1.58 0.00 0.00 0.00 175.10 174.15 1wg5 s GLN 63 N -0.72 2.14 0.68 2.72 0.74 0.49 -0.81 119.66 124.90 1wg5 s GLN 63 Ca 0.11 -1.56 -0.13 0.00 0.05 0.00 0.00 55.36 53.83 1wg5 s GLN 63 Cb -0.10 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.67 1wg5 s GLN 63 CO 0.00 -0.84 1.08 -0.06 -0.55 0.00 0.00 175.29 174.92 1wg5 s PHE 64 N 1.16 2.84 0.53 1.67 0.08 -1.09 -2.72 117.98 120.44 1wg5 s PHE 64 Ca 0.02 1.51 0.32 0.00 0.12 0.00 0.00 56.93 58.89 1wg5 s PHE 64 Cb -0.21 -3.02 1.46 0.00 -0.57 0.00 0.00 43.02 40.69 1wg5 s PHE 64 CO -0.03 -1.45 1.86 0.00 -0.10 0.00 0.00 175.22 175.50 1wg5 h ALA 65 N -0.37 2.86 -2.52 5.36 0.00 -1.62 -3.41 119.26 119.57 1wg5 h ALA 65 Ca -0.45 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.58 1wg5 h ALA 65 Cb 1.23 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1wg5 h ALA 65 CO 0.55 -1.15 0.45 0.45 0.00 0.00 0.00 179.25 179.55 1wg5 s SER 66 N -5.48 -0.13 0.07 0.00 0.15 -1.09 -4.95 113.70 102.26 1wg5 s SER 66 Ca -0.05 -0.55 -0.33 0.00 0.70 0.00 0.00 55.95 55.72 1wg5 s SER 66 Cb 0.22 0.55 -0.19 0.00 -1.71 0.00 0.00 66.02 64.90 1wg5 s SER 66 CO 0.78 -1.05 1.63 -0.61 1.20 0.00 0.00 173.24 175.19 1wg5 h GLN 67 N 2.00 -0.87 -1.02 5.44 -0.00 -1.73 -2.03 115.11 116.91 1wg5 h GLN 67 Ca -0.25 0.06 0.41 0.00 -0.00 0.00 0.00 58.65 58.88 1wg5 h GLN 67 Cb 1.23 0.20 -0.17 0.00 0.00 0.00 0.00 27.48 28.74 1wg5 h GLN 67 CO 0.29 -0.58 0.57 -0.85 0.00 0.00 0.00 178.83 178.26 1wg5 n GLU 68 N -5.48 -0.05 0.04 1.69 0.28 -1.26 0.20 120.64 116.05 1wg5 n GLU 68 Ca -0.13 1.32 -0.16 0.00 -0.16 0.00 0.00 57.16 58.02 1wg5 n GLU 68 Cb 0.37 -2.40 -0.06 0.00 1.43 0.00 0.00 31.44 30.78 1wg5 n GLU 68 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1wg5 h ILE 69 N 0.00 1.34 -0.27 3.84 2.04 -1.85 -3.26 117.51 119.35 1wg5 h ILE 69 Ca 0.83 -2.26 0.02 0.00 1.00 0.00 0.00 64.86 64.45 1wg5 h ILE 69 Cb 2.26 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 40.60 1wg5 h ILE 69 CO -0.70 0.69 0.11 0.00 0.00 0.00 0.00 178.15 178.25 1wg5 h ALA 70 N 0.63 0.31 -0.57 1.87 0.00 0.29 -2.55 119.26 119.24 1wg5 h ALA 70 Ca -0.08 0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1wg5 h ALA 70 Cb 1.55 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.25 1wg5 h ALA 70 CO 0.17 -0.30 0.13 0.93 0.00 0.00 0.00 179.25 180.18 1wg5 h GLU 71 N 0.24 0.26 -0.61 0.00 5.08 -1.31 0.10 114.58 118.34 1wg5 h GLU 71 Ca 0.12 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1wg5 h GLU 71 Cb 0.07 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1wg5 h GLU 71 CO -0.10 0.17 0.40 0.87 -1.00 0.00 0.00 179.01 179.35 1wg5 h LYS 72 N 0.27 0.51 0.00 2.33 1.57 -1.50 -0.69 116.57 119.06 1wg5 h LYS 72 Ca 0.29 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.87 1wg5 h LYS 72 Cb 0.42 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1wg5 h LYS 72 CO -0.37 0.34 -0.84 0.00 -0.57 0.00 0.00 179.45 178.01 1wg5 h ALA 73 N 1.68 0.54 -0.82 3.86 0.00 -0.58 -3.28 119.26 120.67 1wg5 h ALA 73 Ca 0.27 -0.76 0.08 0.00 0.00 0.00 0.00 54.91 54.49 1wg5 h ALA 73 Cb 0.38 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1wg5 h ALA 73 CO -0.08 1.05 0.48 -0.07 0.00 0.00 0.00 179.25 180.63 1wg5 h LEU 74 N 0.00 0.72 -1.25 0.00 3.38 0.67 0.15 115.31 118.97 1wg5 h LEU 74 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wg5 h LEU 74 Cb 1.55 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1wg5 h LEU 74 CO 0.11 0.43 0.05 0.29 0.09 0.00 0.00 178.44 179.42 1wg5 n LYS 75 N -4.71 0.12 -0.29 1.13 4.76 -1.16 -1.58 118.16 116.43 1wg5 n LYS 75 Ca 0.13 0.61 -0.05 0.00 -2.87 0.00 0.00 58.31 56.13 1wg5 n LYS 75 Cb 0.23 -1.96 0.05 0.00 -1.84 0.00 0.00 35.03 31.51 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 -2.17 1.37 -2.35 1.97 5.02 0.51 -4.92 118.16 117.60 1wg5 n LYS 76 Ca -0.01 -0.74 -0.34 0.00 -2.02 0.00 0.00 58.31 55.20 1wg5 n LYS 76 Cb 0.08 -1.33 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 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 -0.87 2.82 0.00 2.13 2.46 -0.62 -2.84 115.29 118.37 1wg5 s HIS 77 Ca 0.14 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.22 1wg5 s HIS 77 Cb 0.12 -3.18 0.00 0.00 -0.13 0.00 0.00 32.58 29.38 1wg5 s HIS 77 CO 0.03 -1.25 0.00 1.63 -2.47 0.00 0.00 174.74 172.68 1wg5 n LYS 78 N -1.23 -1.44 -2.23 2.88 4.76 0.38 -4.91 118.16 116.38 1wg5 n LYS 78 Ca 0.10 0.36 -0.43 0.00 -2.87 0.00 0.00 58.31 55.48 1wg5 n LYS 78 Cb 0.52 -4.65 -0.02 0.00 -1.84 0.00 0.00 35.03 29.04 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 -1.59 3.75 0.29 1.97 0.41 -0.80 -3.90 118.70 118.84 1wg5 s GLU 79 Ca 0.00 1.41 -0.27 0.00 -0.41 0.00 0.00 54.97 55.70 1wg5 s GLU 79 Cb 0.00 -4.00 -0.10 0.00 -1.78 0.00 0.00 34.13 28.25 1wg5 s GLU 79 CO 0.00 -1.34 0.93 -0.98 -0.49 0.00 0.00 175.26 173.38 1wg5 s ARG 80 N 4.66 4.65 -0.62 1.61 1.04 -1.26 -1.03 118.95 128.01 1wg5 s ARG 80 Ca 0.66 1.36 0.01 0.00 -1.04 0.00 0.00 55.73 56.72 1wg5 s ARG 80 Cb -0.21 -2.95 0.16 0.00 -2.04 0.00 0.00 34.95 29.91 1wg5 s ARG 80 CO 0.28 0.36 0.40 0.42 -0.04 0.00 0.00 175.30 176.73 1wg5 s ILE 81 N -1.47 3.26 0.00 4.99 1.01 -0.92 -4.81 121.20 123.25 1wg5 s ILE 81 Ca 0.47 -3.30 0.00 0.00 0.00 0.00 0.00 60.65 57.81 1wg5 s ILE 81 Cb -0.21 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1wg5 s ILE 81 CO 0.26 -0.88 0.00 0.61 0.00 0.00 0.00 174.94 174.93 1wg5 n GLY 82 N 3.10 2.59 2.05 6.18 0.00 -1.26 -4.31 105.19 113.54 1wg5 n GLY 82 Ca 0.09 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.18 -3.15 1.61 1.44 -1.26 -5.12 115.22 108.55 1wg5 n HIS 83 Ca 0.00 -0.35 0.05 0.00 -2.01 0.00 0.00 57.72 55.41 1wg5 n HIS 83 Cb 0.00 0.85 -0.01 0.00 0.12 0.00 0.00 29.99 30.95 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 0.40 0.32 -1.40 1.81 -1.26 -5.05 118.95 113.78 1wg5 s ARG 84 Ca 0.01 0.68 -0.28 0.00 -1.72 0.00 0.00 55.73 54.42 1wg5 s ARG 84 Cb 0.03 0.37 -0.13 0.00 -0.45 0.00 0.00 34.95 34.78 1wg5 s ARG 84 CO -0.01 -0.46 1.22 0.66 -0.68 0.00 0.00 175.30 176.03 1wg5 n TYR 85 N 5.44 2.00 -4.43 -0.53 4.01 -1.26 -2.17 117.16 120.22 1wg5 n TYR 85 Ca -0.03 0.59 -0.34 0.00 -0.16 0.00 0.00 57.90 57.96 1wg5 n TYR 85 Cb 0.52 -2.37 -0.14 0.00 -0.31 0.00 0.00 39.34 37.04 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 -1.02 3.06 -0.33 -0.72 -1.09 -0.20 -4.59 121.20 116.31 1wg5 s ILE 86 Ca 0.57 -0.63 -0.14 0.00 -2.23 0.00 0.00 60.65 58.22 1wg5 s ILE 86 Cb -0.61 -2.32 -0.02 0.00 -1.58 0.00 0.00 42.46 37.93 1wg5 s ILE 86 CO 0.61 0.49 0.31 -1.61 -1.23 0.00 0.00 174.94 173.52 1wg5 s GLU 87 N 0.80 3.59 -0.14 2.79 2.02 0.74 0.15 118.70 128.64 1wg5 s GLU 87 Ca -0.04 -0.46 -0.06 0.00 0.02 0.00 0.00 54.97 54.43 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 0.01 -0.47 0.07 0.42 0.02 0.00 0.00 175.26 175.32 1wg5 s ILE 88 N 1.91 4.93 -0.04 -1.63 1.01 -1.26 0.22 121.20 126.34 1wg5 s ILE 88 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 1wg5 s ILE 88 Cb -0.17 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.17 1wg5 s ILE 88 CO 0.11 0.54 0.07 -0.36 0.00 0.00 0.00 174.94 175.30 1wg5 s PHE 89 N -0.37 0.02 -0.13 3.97 0.08 0.10 -4.86 117.98 116.78 1wg5 s PHE 89 Ca 0.10 0.27 -0.41 0.00 0.12 0.00 0.00 56.93 57.01 1wg5 s PHE 89 Cb -0.12 -0.37 -0.18 0.00 -0.57 0.00 0.00 43.02 41.78 1wg5 s PHE 89 CO 0.02 -0.17 1.36 1.17 -0.10 0.00 0.00 175.22 177.50 1wg5 n LYS 90 N 4.94 0.48 -4.02 0.44 0.00 -1.26 -0.32 118.16 118.42 1wg5 n LYS 90 Ca -0.11 0.17 -0.22 0.00 0.00 0.00 0.00 58.31 58.15 1wg5 n LYS 90 Cb 0.50 -1.74 -0.06 0.00 0.00 0.00 0.00 35.03 33.73 1wg5 n LYS 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wg5 n SER 91 N 2.92 1.55 -4.15 3.14 2.88 -0.18 -4.72 113.62 115.04 1wg5 n SER 91 Ca 0.23 -2.79 -0.10 0.00 -1.33 0.00 0.00 58.87 54.88 1wg5 n SER 91 Cb 0.09 0.75 -0.10 0.00 -0.75 0.00 0.00 64.21 64.19 1wg5 n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg5 s SER 92 N -3.10 0.50 0.09 -3.46 0.01 -1.26 -3.75 113.70 102.73 1wg5 s SER 92 Ca 0.14 -1.15 -0.31 0.00 1.31 0.00 0.00 55.95 55.94 1wg5 s SER 92 Cb 0.01 0.24 -0.14 0.00 0.21 0.00 0.00 66.02 66.35 1wg5 s SER 92 CO 0.10 -0.67 1.62 -0.09 0.41 0.00 0.00 173.24 174.60 1wg5 h ARG 93 N 2.91 -0.70 -0.48 12.44 2.43 -1.95 -2.63 114.38 126.41 1wg5 h ARG 93 Ca -0.35 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 58.96 1wg5 h ARG 93 Cb 1.19 0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 30.80 1wg5 h ARG 93 CO 0.61 -0.47 -0.12 0.00 -1.51 0.00 0.00 179.97 178.48 1wg5 h ALA 94 N -0.25 0.31 -0.53 2.80 0.00 -2.03 -1.91 119.26 117.64 1wg5 h ALA 94 Ca -0.03 0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1wg5 h ALA 94 Cb 0.65 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 18.70 1wg5 h ALA 94 CO -0.05 -0.44 -0.33 0.93 0.00 0.00 0.00 179.25 179.36 1wg5 h GLU 95 N -0.00 -0.18 -5.95 0.00 4.39 -1.91 -3.39 114.58 107.53 1wg5 h GLU 95 Ca 0.23 0.01 -0.70 0.00 0.34 0.00 0.00 59.36 59.24 1wg5 h GLU 95 Cb 0.35 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1wg5 h GLU 95 CO -0.49 -0.12 1.39 0.28 -1.16 0.00 0.00 179.01 178.91 1wg5 n VAL 96 N -5.43 0.10 -2.07 3.13 0.31 -0.72 -4.90 118.33 108.75 1wg5 n VAL 96 Ca 0.03 -0.15 -0.32 0.00 -0.01 0.00 0.00 64.34 63.89 1wg5 n VAL 96 Cb 0.35 -1.14 -0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1wg5 n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wg5 s ARG 97 N 6.26 3.56 -0.32 5.55 1.70 -1.26 -5.00 118.95 129.44 1wg5 s ARG 97 Ca 1.15 0.97 0.12 0.00 -0.47 0.00 0.00 55.73 57.50 1wg5 s ARG 97 Cb -1.13 -2.08 0.38 0.00 -0.57 0.00 0.00 34.95 31.56 1wg5 s ARG 97 CO 0.56 -0.60 1.48 -2.37 -1.08 0.00 0.00 175.30 173.28 1wg5 n THR 98 N -2.19 0.00 -1.28 4.99 5.66 -1.26 -5.08 114.28 115.12 1wg5 n THR 98 Ca 0.07 -0.94 0.00 0.00 -3.05 0.00 0.00 64.05 60.13 1wg5 n THR 98 Cb 0.54 0.97 0.00 0.00 -1.55 0.00 0.00 70.33 70.28 1wg5 n THR 98 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wg5 n SER 99 N -1.44 -7.05 0.00 1.09 7.64 -1.26 -5.08 113.62 107.52 1wg5 n SER 99 Ca -0.17 1.18 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1wg5 n SER 99 Cb 0.85 -3.78 0.00 0.00 -1.01 0.00 0.00 64.21 60.28 1wg5 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg5 n GLY 100 N -1.41 0.80 0.06 0.23 0.00 -1.26 -4.81 105.19 98.79 1wg5 n GLY 100 Ca 0.00 -2.04 0.09 0.00 0.00 0.00 0.00 46.02 44.07 1wg5 n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wg5 n PRO 101 N -0.37 0.08 -2.52 1.61 -0.04 -1.26 -4.61 135.00 127.90 1wg5 n PRO 101 Ca 0.00 0.33 -0.42 0.00 -0.04 0.00 0.00 63.50 63.37 1wg5 n PRO 101 Cb 0.00 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.77 1wg5 n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wg5 s SER 102 N -3.54 6.32 -0.01 3.54 0.15 -1.26 -4.90 113.70 114.00 1wg5 s SER 102 Ca 0.06 0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.59 1wg5 s SER 102 Cb 0.09 -2.55 -0.14 0.00 -1.71 0.00 0.00 66.02 61.71 1wg5 s SER 102 CO 0.32 -1.59 1.00 -1.28 1.20 0.00 0.00 173.24 172.88 1wg5 h SER 103 N 10.08 -0.47 0.00 5.45 0.87 -2.00 -3.47 113.55 124.01 1wg5 h SER 103 Ca -0.26 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1wg5 h SER 103 Cb 1.07 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1wg5 h SER 103 CO 1.19 -0.06 0.00 0.61 -0.53 0.00 0.00 176.83 178.05