#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 -1.14 0.07 1.61 0.15 -1.26 -5.17 113.70 107.96 1wg5 s SER 2 Ca 0.00 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.21 1wg5 s SER 2 Cb 0.00 2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 66.56 1wg5 s SER 2 CO 0.00 -0.22 -0.05 -0.55 1.20 0.00 0.00 173.24 173.62 1wg5 s SER 3 N 2.89 0.81 -0.46 5.45 0.15 -1.26 -5.10 113.70 116.17 1wg5 s SER 3 Ca -0.06 -0.98 0.07 0.00 0.70 0.00 0.00 55.95 55.67 1wg5 s SER 3 Cb -0.12 0.14 0.28 0.00 -1.71 0.00 0.00 66.02 64.62 1wg5 s SER 3 CO -0.19 -0.52 0.94 0.61 1.20 0.00 0.00 173.24 175.28 1wg5 n GLY 4 N 0.09 0.75 3.29 9.45 0.00 -1.26 -5.10 105.19 112.42 1wg5 n GLY 4 Ca -0.13 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1wg5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg5 s SER 5 N -1.54 -1.10 -0.29 1.61 1.04 -1.26 -5.13 113.70 107.02 1wg5 s SER 5 Ca 0.29 0.94 0.02 0.00 0.48 0.00 0.00 55.95 57.68 1wg5 s SER 5 Cb 0.26 2.03 0.19 0.00 0.10 0.00 0.00 66.02 68.59 1wg5 s SER 5 CO -0.15 -0.21 0.57 -0.55 0.98 0.00 0.00 173.24 173.88 1wg5 s SER 6 N 2.84 -1.24 -0.93 7.02 0.15 -1.26 -5.09 113.70 115.19 1wg5 s SER 6 Ca 0.09 0.44 -0.02 0.00 0.70 0.00 0.00 55.95 57.16 1wg5 s SER 6 Cb -0.13 1.96 0.25 0.00 -1.71 0.00 0.00 66.02 66.39 1wg5 s SER 6 CO -0.19 -0.29 0.94 0.61 1.20 0.00 0.00 173.24 175.51 1wg5 n GLY 7 N 5.42 4.36 0.35 9.45 0.00 -1.26 -4.78 105.19 118.73 1wg5 n GLY 7 Ca 0.01 -2.62 -0.16 0.00 0.00 0.00 0.00 46.02 43.25 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 2.05 1.57 -1.14 1.61 5.15 -1.26 -5.13 115.26 118.11 1wg5 n ASN 8 Ca 0.24 0.26 0.07 0.00 -0.60 0.00 0.00 54.58 54.55 1wg5 n ASN 8 Cb 0.37 -0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 38.96 1wg5 n ASN 8 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wg5 n SER 9 N -4.04 -6.16 -4.77 1.20 7.64 -1.26 -4.90 113.62 101.33 1wg5 n SER 9 Ca -0.29 1.26 -0.34 0.00 1.01 0.00 0.00 58.87 60.51 1wg5 n SER 9 Cb 0.63 -3.70 0.02 0.00 -1.01 0.00 0.00 64.21 60.16 1wg5 n SER 9 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1wg5 s PRO 10 N -4.50 3.08 0.87 1.43 0.04 -1.26 -5.04 135.00 129.63 1wg5 s PRO 10 Ca 0.00 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 1wg5 s PRO 10 Cb 0.00 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.68 1wg5 s PRO 10 CO 0.00 -1.04 1.14 -0.51 0.04 0.00 0.00 177.00 176.62 1wg5 s ASP 11 N -2.18 3.84 -0.17 6.66 1.01 -1.26 -5.02 116.67 119.55 1wg5 s ASP 11 Ca 0.70 0.98 0.21 0.00 0.71 0.00 0.00 52.55 55.15 1wg5 s ASP 11 Cb -0.22 -1.57 0.44 0.00 1.01 0.00 0.00 42.92 42.57 1wg5 s ASP 11 CO 0.34 -2.34 1.17 0.35 0.21 0.00 0.00 175.17 174.90 1wg5 n THR 12 N -3.63 0.64 0.00 -1.27 -2.24 -1.26 -4.95 114.28 101.57 1wg5 n THR 12 Ca 0.07 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 1wg5 n THR 12 Cb 0.59 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.32 0.00 -2.47 6.98 0.00 -1.26 -5.10 120.51 118.34 1wg5 n ALA 13 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 1wg5 n ALA 13 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 1wg5 n ALA 13 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wg5 n ASN 14 N 0.00 -6.66 -0.00 0.00 5.15 -1.26 -5.01 115.26 107.48 1wg5 n ASN 14 Ca 0.00 0.89 0.00 0.00 -0.60 0.00 0.00 54.58 54.88 1wg5 n ASN 14 Cb 0.00 -4.38 -0.02 0.00 -0.53 0.00 0.00 39.78 34.85 1wg5 n ASN 14 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1wg5 n ASP 15 N 0.26 4.49 0.00 1.20 -0.08 -1.26 -4.70 116.55 116.46 1wg5 n ASP 15 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1wg5 n ASP 15 Cb 0.11 0.90 0.00 0.00 2.34 0.00 0.00 41.12 44.48 1wg5 n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wg5 n GLY 16 N 2.55 1.20 3.80 0.27 0.00 -1.25 -3.04 105.19 108.72 1wg5 n GLY 16 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 3.56 0.01 1.61 0.08 -1.23 -0.55 117.98 119.46 1wg5 s PHE 17 Ca 0.00 1.64 -0.03 0.00 0.12 0.00 0.00 56.93 58.67 1wg5 s PHE 17 Cb 0.00 -2.83 -0.01 0.00 -0.57 0.00 0.00 43.02 39.61 1wg5 s PHE 17 CO 0.00 0.13 0.03 0.14 -0.10 0.00 0.00 175.22 175.42 1wg5 s VAL 18 N -1.78 0.10 -0.03 -0.44 -7.23 0.50 -0.71 120.40 110.80 1wg5 s VAL 18 Ca 0.53 -0.80 0.04 0.00 -1.81 0.00 0.00 61.98 59.93 1wg5 s VAL 18 Cb -0.15 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 1wg5 s VAL 18 CO 0.20 -0.44 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.81 1wg5 s ARG 19 N -1.39 2.47 0.04 4.82 3.52 -0.09 -1.05 118.95 127.28 1wg5 s ARG 19 Ca -0.15 -0.73 0.07 0.00 -0.13 0.00 0.00 55.73 54.79 1wg5 s ARG 19 Cb -0.09 -2.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.89 1wg5 s ARG 19 CO -0.00 0.61 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.41 1wg5 s LEU 20 N -0.92 2.58 -0.04 -0.88 1.43 0.77 0.03 118.68 121.63 1wg5 s LEU 20 Ca 0.13 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1wg5 s LEU 20 Cb -0.11 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.64 1wg5 s LEU 20 CO 0.02 0.26 0.03 -0.13 0.23 0.00 0.00 176.35 176.76 1wg5 s ARG 21 N -1.42 0.16 0.00 1.70 0.52 0.12 -2.52 118.95 117.50 1wg5 s ARG 21 Ca 0.14 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.58 1wg5 s ARG 21 Cb -0.10 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 34.79 1wg5 s ARG 21 CO 0.05 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.52 1wg5 n GLY 22 N 4.87 1.11 3.78 -3.53 0.00 -0.27 -0.06 105.19 111.09 1wg5 n GLY 22 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 3.98 1.09 0.99 1.43 -1.11 -4.34 118.68 120.71 1wg5 s LEU 23 Ca 0.00 2.18 -0.15 0.00 -1.03 0.00 0.00 54.13 55.13 1wg5 s LEU 23 Cb 0.00 -4.31 0.23 0.00 0.03 0.00 0.00 46.19 42.14 1wg5 s LEU 23 CO 0.00 -0.84 1.10 -2.16 0.23 0.00 0.00 176.35 174.68 1wg5 s PRO 24 N -2.80 -0.29 0.06 1.29 0.04 -1.26 -4.74 135.00 127.30 1wg5 s PRO 24 Ca 0.64 0.26 -0.31 0.00 0.04 0.00 0.00 61.00 61.64 1wg5 s PRO 24 Cb -0.25 -1.68 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 1wg5 s PRO 24 CO 0.30 -3.16 1.59 0.12 0.04 0.00 0.00 177.00 175.89 1wg5 s PHE 25 N -2.99 2.58 -0.66 0.56 2.19 -1.26 -2.13 117.98 116.27 1wg5 s PHE 25 Ca 0.68 0.46 0.00 0.00 0.33 0.00 0.00 56.93 58.39 1wg5 s PHE 25 Cb -0.15 -3.89 0.00 0.00 -1.31 0.00 0.00 43.02 37.66 1wg5 s PHE 25 CO 0.57 -3.51 0.00 0.41 1.83 0.00 0.00 175.22 174.52 1wg5 n GLY 26 N 3.89 0.55 3.69 13.12 0.00 -1.26 -4.96 105.19 120.22 1wg5 n GLY 26 Ca 0.15 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 2.50 0.61 0.20 0.00 0.01 -1.26 -5.02 113.70 110.74 1wg5 s SER 28 Ca 0.75 -1.46 -0.14 0.00 1.31 0.00 0.00 55.95 56.42 1wg5 s SER 28 Cb -0.41 0.47 0.22 0.00 0.21 0.00 0.00 66.02 66.51 1wg5 s SER 28 CO 0.33 -0.96 1.64 0.11 0.41 0.00 0.00 173.24 174.77 1wg5 h LYS 29 N 2.42 0.03 -0.97 12.44 1.57 -1.97 0.49 116.57 130.57 1wg5 h LYS 29 Ca -0.32 -0.00 0.39 0.00 -1.87 0.00 0.00 60.65 58.85 1wg5 h LYS 29 Cb 1.24 -0.01 -0.18 0.00 0.08 0.00 0.00 32.23 33.37 1wg5 h LYS 29 CO 0.46 0.02 0.45 0.39 -0.57 0.00 0.00 179.45 180.19 1wg5 n GLU 30 N -5.37 -0.06 0.04 3.15 1.02 -1.26 0.15 120.64 118.32 1wg5 n GLU 30 Ca 0.07 1.36 -0.12 0.00 -0.02 0.00 0.00 57.16 58.45 1wg5 n GLU 30 Cb 0.31 -2.39 -0.13 0.00 -0.02 0.00 0.00 31.44 29.20 1wg5 n GLU 30 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wg5 h GLU 31 N 0.00 0.12 0.47 3.49 4.39 -1.35 -3.35 114.58 118.35 1wg5 h GLU 31 Ca 0.79 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 60.27 1wg5 h GLU 31 Cb 2.04 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.76 1wg5 h GLU 31 CO -0.77 0.93 -0.23 0.82 -1.16 0.00 0.00 179.01 178.60 1wg5 h ILE 32 N 0.03 0.00 -0.78 3.13 2.04 0.26 -0.57 117.51 121.63 1wg5 h ILE 32 Ca -0.19 -0.39 0.21 0.00 1.00 0.00 0.00 64.86 65.50 1wg5 h ILE 32 Cb 1.94 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.88 1wg5 h ILE 32 CO 0.13 0.00 0.01 0.52 0.00 0.00 0.00 178.15 178.81 1wg5 n VAL 33 N -4.77 -0.33 0.02 1.67 0.31 0.20 0.13 118.33 115.56 1wg5 n VAL 33 Ca -0.08 1.71 -0.19 0.00 -0.01 0.00 0.00 64.34 65.78 1wg5 n VAL 33 Cb 0.25 -2.50 -0.11 0.00 -0.91 0.00 0.00 33.84 30.58 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 0.54 -0.89 5.55 4.20 -1.69 -3.20 115.11 119.63 1wg5 h GLN 34 Ca 0.47 -0.57 0.26 0.00 0.06 0.00 0.00 58.65 58.86 1wg5 h GLN 34 Cb 0.95 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 1wg5 h GLN 34 CO -0.73 1.20 0.69 0.35 -0.67 0.00 0.00 178.83 179.66 1wg5 h PHE 35 N 0.12 0.00 -0.97 2.96 3.57 0.28 0.34 116.94 123.24 1wg5 h PHE 35 Ca -0.10 0.00 -0.64 0.00 3.53 0.00 0.00 57.97 60.76 1wg5 h PHE 35 Cb 1.47 0.00 -0.30 0.00 2.79 0.00 0.00 35.95 39.91 1wg5 h PHE 35 CO 0.13 0.00 0.71 1.19 -2.23 0.00 0.00 178.31 178.11 1wg5 n PHE 36 N -4.09 3.15 -1.62 0.41 3.72 -0.38 -5.02 117.46 113.62 1wg5 n PHE 36 Ca 0.18 -2.82 -0.44 0.00 -0.05 0.00 0.00 57.45 54.32 1wg5 n PHE 36 Cb 1.00 -1.30 -0.02 0.00 -0.94 0.00 0.00 39.48 38.22 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 -0.93 1.82 0.00 4.37 3.41 0.12 -1.48 113.62 120.92 1wg5 n SER 37 Ca 0.61 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 60.40 1wg5 n SER 37 Cb 0.80 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 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 1.30 2.98 3.92 5.00 0.00 -1.26 -5.03 105.19 112.10 1wg5 n GLY 38 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.25 0.99 1.43 -0.55 -5.09 118.68 119.39 1wg5 s LEU 39 Ca 0.00 0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 53.57 1wg5 s LEU 39 Cb 0.00 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 1wg5 s LEU 39 CO 0.00 -0.08 0.04 -0.70 0.23 0.00 0.00 176.35 175.84 1wg5 s GLU 40 N -3.31 3.40 0.15 1.70 2.12 -1.26 -5.01 118.70 116.50 1wg5 s GLU 40 Ca 0.41 -0.63 0.07 0.00 0.36 0.00 0.00 54.97 55.17 1wg5 s GLU 40 Cb -0.11 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 1wg5 s GLU 40 CO 0.29 -0.27 0.00 0.42 -0.54 0.00 0.00 175.26 175.16 1wg5 s ILE 41 N 1.54 3.80 0.41 -3.70 1.01 -1.26 -1.98 121.20 121.02 1wg5 s ILE 41 Ca 0.05 -1.32 -0.23 0.00 0.00 0.00 0.00 60.65 59.15 1wg5 s ILE 41 Cb -0.15 -2.89 -0.09 0.00 0.01 0.00 0.00 42.46 39.34 1wg5 s ILE 41 CO 0.01 -0.06 1.01 0.68 0.00 0.00 0.00 174.94 176.58 1wg5 s VAL 42 N -1.62 3.95 -0.14 2.92 -7.23 -1.12 -4.80 120.40 112.35 1wg5 s VAL 42 Ca 0.27 1.39 -0.29 0.00 -1.81 0.00 0.00 61.98 61.54 1wg5 s VAL 42 Cb -0.10 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.14 1wg5 s VAL 42 CO 0.18 -0.09 1.56 -2.16 -0.31 0.00 0.00 175.10 174.28 1wg5 s PRO 43 N -2.72 4.03 -0.15 4.82 0.04 -1.26 -2.51 135.00 137.26 1wg5 s PRO 43 Ca 0.59 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1wg5 s PRO 43 Cb -0.18 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1wg5 s PRO 43 CO 0.22 -1.00 0.00 -1.71 0.04 0.00 0.00 177.00 174.55 1wg5 n ASN 44 N 7.56 -1.75 -1.95 6.66 5.15 -1.26 -4.95 115.26 124.71 1wg5 n ASN 44 Ca 0.17 0.01 -0.22 0.00 -0.60 0.00 0.00 54.58 53.93 1wg5 n ASN 44 Cb 0.44 -0.85 0.13 0.00 -0.53 0.00 0.00 39.78 38.96 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wg5 n GLY 45 N -1.35 5.36 3.13 8.20 0.00 -1.04 -4.96 105.19 114.53 1wg5 n GLY 45 Ca -0.02 -1.78 -0.24 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.51 1.38 -0.08 1.61 -1.94 -1.26 0.18 119.30 115.67 1wg5 s MET 46 Ca 0.55 -0.57 0.03 0.00 -1.71 0.00 0.00 55.69 53.99 1wg5 s MET 46 Cb 0.46 -1.30 0.01 0.00 2.01 0.00 0.00 34.83 36.01 1wg5 s MET 46 CO 0.03 0.31 -0.16 0.99 -0.01 0.00 0.00 175.02 176.18 1wg5 s THR 47 N -0.26 1.48 -0.37 2.05 2.01 0.76 -4.97 115.64 116.33 1wg5 s THR 47 Ca 0.04 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1wg5 s THR 47 Cb -0.07 -1.32 0.12 0.00 0.01 0.00 0.00 72.50 71.23 1wg5 s THR 47 CO -0.00 0.43 0.18 -0.76 -0.69 0.00 0.00 174.62 173.78 1wg5 s LEU 48 N 0.63 2.15 1.13 4.42 1.02 -1.26 -0.80 118.68 125.97 1wg5 s LEU 48 Ca -0.14 -2.14 -0.17 0.00 0.02 0.00 0.00 54.13 51.70 1wg5 s LEU 48 Cb -0.16 -0.84 0.25 0.00 0.02 0.00 0.00 46.19 45.46 1wg5 s LEU 48 CO 0.04 -0.34 1.10 -2.16 0.02 0.00 0.00 176.35 175.02 1wg5 s PRO 49 N 1.01 -0.63 0.35 1.29 0.04 -1.26 -5.00 135.00 130.79 1wg5 s PRO 49 Ca 0.14 0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.31 1wg5 s PRO 49 Cb -0.21 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1wg5 s PRO 49 CO -0.10 -3.36 0.46 0.14 0.04 0.00 0.00 177.00 174.18 1wg5 s VAL 50 N -2.99 0.00 0.00 -0.36 -7.23 -1.26 -3.56 120.40 105.00 1wg5 s VAL 50 Ca 0.69 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1wg5 s VAL 50 Cb -0.13 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1wg5 s VAL 50 CO 0.57 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.69 1wg5 n ASP 51 N -1.45 0.00 0.00 4.85 2.03 -0.92 -4.83 116.55 116.24 1wg5 n ASP 51 Ca 0.02 -0.68 0.10 0.00 0.52 0.00 0.00 54.79 54.75 1wg5 n ASP 51 Cb 0.62 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 41.57 1wg5 n ASP 51 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1wg5 n PHE 52 N -0.83 0.00 0.27 -0.67 -1.74 -1.26 -2.17 117.46 111.06 1wg5 n PHE 52 Ca 0.00 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.92 1wg5 n PHE 52 Cb 0.00 -0.19 0.02 0.00 1.52 0.00 0.00 39.48 40.84 1wg5 n PHE 52 CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 1wg5 n GLN 53 N -1.19 0.42 -1.49 3.97 1.13 -1.26 -4.99 117.38 113.98 1wg5 n GLN 53 Ca 0.12 -0.80 0.00 0.00 -1.94 0.00 0.00 57.00 54.38 1wg5 n GLN 53 Cb 0.13 -1.09 0.00 0.00 0.11 0.00 0.00 30.24 29.39 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 0.44 0.41 3.65 1.08 0.00 -0.92 -5.04 105.19 104.81 1wg5 n GLY 54 Ca 0.04 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 1wg5 n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wg5 s ARG 55 N -2.99 4.03 0.03 1.61 1.70 -1.26 -4.78 118.95 117.29 1wg5 s ARG 55 Ca 0.00 -0.30 -0.39 0.00 -0.47 0.00 0.00 55.73 54.57 1wg5 s ARG 55 Cb 0.00 -3.37 -0.19 0.00 -0.57 0.00 0.00 34.95 30.82 1wg5 s ARG 55 CO 0.00 0.18 1.16 -1.13 -1.08 0.00 0.00 175.30 174.42 1wg5 n SER 56 N 3.87 0.51 -0.89 -2.89 3.41 -1.26 -2.16 113.62 114.22 1wg5 n SER 56 Ca -0.16 1.15 0.02 0.00 -0.26 0.00 0.00 58.87 59.62 1wg5 n SER 56 Cb 0.52 -1.01 0.12 0.00 -0.26 0.00 0.00 64.21 63.59 1wg5 n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wg5 n THR 57 N 1.82 0.81 -0.93 6.66 -2.24 -1.23 -4.83 114.28 114.34 1wg5 n THR 57 Ca 0.19 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1wg5 n THR 57 Cb 0.11 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 0.26 0.07 3.42 3.38 0.00 -1.26 -4.88 105.19 106.18 1wg5 n GLY 58 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.61 2.00 0.04 1.61 2.02 -1.26 -1.11 118.70 120.38 1wg5 s GLU 59 Ca 0.00 -1.02 -0.19 0.00 0.02 0.00 0.00 54.97 53.78 1wg5 s GLU 59 Cb 0.00 -2.13 0.04 0.00 0.10 0.00 0.00 34.13 32.14 1wg5 s GLU 59 CO 0.00 0.53 0.44 0.00 0.02 0.00 0.00 175.26 176.26 1wg5 s ALA 60 N -0.89 -1.10 -0.15 5.21 0.00 -1.05 -4.14 121.76 119.64 1wg5 s ALA 60 Ca 0.14 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 1wg5 s ALA 60 Cb -0.10 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.37 1wg5 s ALA 60 CO 0.04 -0.45 -0.05 -0.06 0.00 0.00 0.00 175.76 175.24 1wg5 s PHE 61 N -2.32 1.56 0.02 0.00 0.08 0.02 -0.16 117.98 117.19 1wg5 s PHE 61 Ca -0.06 -0.95 0.02 0.00 0.12 0.00 0.00 56.93 56.06 1wg5 s PHE 61 Cb -0.01 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.15 1wg5 s PHE 61 CO -0.01 -0.58 0.02 0.08 -0.10 0.00 0.00 175.22 174.63 1wg5 s VAL 62 N 1.68 4.25 -0.32 -0.44 1.01 -0.21 -0.17 120.40 126.20 1wg5 s VAL 62 Ca 0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1wg5 s VAL 62 Cb -0.15 -2.94 0.07 0.00 0.00 0.00 0.00 36.38 33.36 1wg5 s VAL 62 CO -0.08 0.30 0.02 -1.58 0.00 0.00 0.00 175.10 173.77 1wg5 s GLN 63 N -1.79 2.23 0.58 2.72 0.74 0.13 -0.37 119.66 123.88 1wg5 s GLN 63 Ca 0.22 -1.44 -0.16 0.00 0.05 0.00 0.00 55.36 54.03 1wg5 s GLN 63 Cb -0.12 -3.21 -0.05 0.00 1.10 0.00 0.00 33.01 30.74 1wg5 s GLN 63 CO 0.13 -0.72 1.05 -0.06 -0.55 0.00 0.00 175.29 175.13 1wg5 s PHE 64 N 1.17 3.06 0.56 1.67 0.08 0.29 -2.81 117.98 122.01 1wg5 s PHE 64 Ca -0.02 1.51 0.35 0.00 0.12 0.00 0.00 56.93 58.89 1wg5 s PHE 64 Cb -0.20 -2.98 1.48 0.00 -0.57 0.00 0.00 43.02 40.75 1wg5 s PHE 64 CO -0.03 -0.98 1.75 0.00 -0.10 0.00 0.00 175.22 175.85 1wg5 h ALA 65 N 0.57 2.97 -1.91 5.36 0.00 -1.63 -3.40 119.26 121.23 1wg5 h ALA 65 Ca -0.47 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1wg5 h ALA 65 Cb 1.21 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wg5 h ALA 65 CO 0.58 -1.42 0.10 -1.13 0.00 0.00 0.00 179.25 177.37 1wg5 n SER 66 N -3.95 -0.38 0.03 0.00 3.41 -1.17 -4.94 113.62 106.62 1wg5 n SER 66 Ca 0.23 -1.22 -0.19 0.00 -0.26 0.00 0.00 58.87 57.43 1wg5 n SER 66 Cb 1.22 0.62 -0.12 0.00 -0.26 0.00 0.00 64.21 65.67 1wg5 n SER 66 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1wg5 h GLN 67 N 0.00 0.38 -0.54 4.33 -0.00 -1.84 -2.91 115.11 114.52 1wg5 h GLN 67 Ca -0.06 -0.48 0.16 0.00 -0.00 0.00 0.00 58.65 58.26 1wg5 h GLN 67 Cb 0.24 0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.85 1wg5 h GLN 67 CO 0.08 1.17 0.41 1.05 0.00 0.00 0.00 178.83 181.54 1wg5 h GLU 68 N -0.19 0.00 0.00 1.69 4.11 -1.97 0.15 114.58 118.37 1wg5 h GLU 68 Ca -0.11 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.09 1wg5 h GLU 68 Cb 1.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.68 1wg5 h GLU 68 CO 0.14 0.00 -1.24 0.82 0.07 0.00 0.00 179.01 178.80 1wg5 h ILE 69 N 0.00 1.30 -0.29 -1.06 2.04 -1.96 -3.32 117.51 114.22 1wg5 h ILE 69 Ca 0.26 -3.03 -0.02 0.00 1.00 0.00 0.00 64.86 63.07 1wg5 h ILE 69 Cb 1.08 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.78 1wg5 h ILE 69 CO -0.00 0.74 0.10 0.00 0.00 0.00 0.00 178.15 178.99 1wg5 h ALA 70 N 1.05 0.38 -0.57 1.87 0.00 -0.51 -2.96 119.26 118.51 1wg5 h ALA 70 Ca -0.11 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1wg5 h ALA 70 Cb 1.82 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 1wg5 h ALA 70 CO 0.10 -0.00 0.28 0.93 0.00 0.00 0.00 179.25 180.56 1wg5 h GLU 71 N 0.31 0.51 -0.68 0.00 4.39 -1.55 0.26 114.58 117.83 1wg5 h GLU 71 Ca 0.09 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.88 1wg5 h GLU 71 Cb 0.22 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 1wg5 h GLU 71 CO -0.00 0.34 0.45 0.87 -1.16 0.00 0.00 179.01 179.51 1wg5 h LYS 72 N 0.52 0.41 0.00 2.33 1.57 -1.62 -0.21 116.57 119.58 1wg5 h LYS 72 Ca 0.26 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.82 1wg5 h LYS 72 Cb 0.21 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1wg5 h LYS 72 CO -0.20 0.27 -1.04 0.00 -0.57 0.00 0.00 179.45 177.92 1wg5 h ALA 73 N 1.67 0.49 -0.96 3.86 0.00 -1.03 -3.31 119.26 119.98 1wg5 h ALA 73 Ca 0.32 -0.91 0.14 0.00 0.00 0.00 0.00 54.91 54.47 1wg5 h ALA 73 Cb 0.68 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1wg5 h ALA 73 CO -0.10 1.17 0.61 -0.07 0.00 0.00 0.00 179.25 180.86 1wg5 h LEU 74 N 0.00 0.79 -1.43 0.00 3.38 0.89 0.40 115.31 119.34 1wg5 h LEU 74 Ca -0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wg5 h LEU 74 Cb 1.73 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1wg5 h LEU 74 CO 0.11 0.39 0.00 0.11 0.09 0.00 0.00 178.44 179.14 1wg5 h LYS 75 N 0.84 0.00 -1.09 1.13 1.79 -1.62 -2.29 116.57 115.33 1wg5 h LYS 75 Ca 0.49 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.81 1wg5 h LYS 75 Cb 0.65 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.21 1wg5 h LYS 75 CO -0.26 0.00 0.19 1.63 -1.08 0.00 0.00 179.45 179.94 1wg5 n LYS 76 N -2.34 1.37 -2.11 3.15 5.02 0.14 -4.92 118.16 118.48 1wg5 n LYS 76 Ca -0.01 -0.86 -0.33 0.00 -2.02 0.00 0.00 58.31 55.09 1wg5 n LYS 76 Cb 0.08 -1.34 0.00 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 -0.95 3.02 0.00 2.13 2.46 -0.86 -3.11 115.29 117.97 1wg5 s HIS 77 Ca 0.16 1.51 0.00 0.00 0.47 0.00 0.00 55.06 57.21 1wg5 s HIS 77 Cb 0.14 -3.00 0.00 0.00 -0.13 0.00 0.00 32.58 29.59 1wg5 s HIS 77 CO 0.03 -1.04 0.00 1.63 -2.47 0.00 0.00 174.74 172.88 1wg5 n LYS 78 N -1.92 -1.96 -2.33 2.88 4.76 0.23 -4.90 118.16 114.93 1wg5 n LYS 78 Ca 0.09 0.49 -0.43 0.00 -2.87 0.00 0.00 58.31 55.59 1wg5 n LYS 78 Cb 0.53 -4.98 -0.02 0.00 -1.84 0.00 0.00 35.03 28.72 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 -1.97 3.73 0.24 1.97 0.41 -0.92 -4.08 118.70 118.08 1wg5 s GLU 79 Ca 0.00 1.19 -0.26 0.00 -0.41 0.00 0.00 54.97 55.49 1wg5 s GLU 79 Cb 0.00 -3.98 -0.09 0.00 -1.78 0.00 0.00 34.13 28.28 1wg5 s GLU 79 CO 0.00 -1.36 0.86 -0.98 -0.49 0.00 0.00 175.26 173.29 1wg5 s ARG 80 N 4.63 4.60 -0.65 1.61 1.04 -1.26 -0.97 118.95 127.95 1wg5 s ARG 80 Ca 0.62 1.25 -0.01 0.00 -1.04 0.00 0.00 55.73 56.54 1wg5 s ARG 80 Cb -0.17 -3.06 0.17 0.00 -2.04 0.00 0.00 34.95 29.84 1wg5 s ARG 80 CO 0.28 0.44 0.46 0.42 -0.04 0.00 0.00 175.30 176.87 1wg5 s ILE 81 N -1.36 3.59 0.00 4.99 1.01 -0.96 -4.76 121.20 123.71 1wg5 s ILE 81 Ca 0.43 -3.22 0.00 0.00 0.00 0.00 0.00 60.65 57.86 1wg5 s ILE 81 Cb -0.21 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1wg5 s ILE 81 CO 0.26 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 174.91 1wg5 n GLY 82 N 3.18 2.69 0.00 6.18 0.00 -1.26 -4.23 105.19 111.75 1wg5 n GLY 82 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 -3.28 1.61 1.44 -1.26 -5.12 115.22 108.61 1wg5 n HIS 83 Ca 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.65 1wg5 n HIS 83 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 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 0.00 0.43 0.23 -1.40 1.81 -1.26 -5.05 118.95 113.72 1wg5 s ARG 84 Ca 0.00 0.42 -0.31 0.00 -1.72 0.00 0.00 55.73 54.11 1wg5 s ARG 84 Cb 0.00 -0.17 -0.14 0.00 -0.45 0.00 0.00 34.95 34.19 1wg5 s ARG 84 CO 0.00 -0.87 1.35 0.66 -0.68 0.00 0.00 175.30 175.77 1wg5 n TYR 85 N 5.38 1.99 -4.12 -0.53 4.01 -1.26 -2.27 117.16 120.35 1wg5 n TYR 85 Ca -0.00 0.48 -0.35 0.00 -0.16 0.00 0.00 57.90 57.87 1wg5 n TYR 85 Cb 0.50 -2.42 -0.13 0.00 -0.31 0.00 0.00 39.34 36.98 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 -0.11 3.81 -0.40 -0.72 -1.09 -0.14 -4.52 121.20 118.02 1wg5 s ILE 86 Ca 0.69 -0.36 -0.16 0.00 -2.23 0.00 0.00 60.65 58.59 1wg5 s ILE 86 Cb -0.69 -2.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.49 1wg5 s ILE 86 CO 0.50 0.44 0.36 -1.61 -1.23 0.00 0.00 174.94 173.40 1wg5 s GLU 87 N 0.96 3.13 -0.12 2.79 2.02 0.92 0.75 118.70 129.16 1wg5 s GLU 87 Ca 0.01 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.07 1wg5 s GLU 87 Cb -0.14 -3.94 -0.05 0.00 0.10 0.00 0.00 34.13 30.10 1wg5 s GLU 87 CO 0.01 -0.74 0.25 0.42 0.02 0.00 0.00 175.26 175.23 1wg5 s ILE 88 N 1.92 5.32 -0.10 -1.63 1.01 -1.26 0.11 121.20 126.57 1wg5 s ILE 88 Ca 0.09 0.47 -0.03 0.00 0.00 0.00 0.00 60.65 61.18 1wg5 s ILE 88 Cb -0.18 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.78 1wg5 s ILE 88 CO 0.12 0.50 0.10 -0.36 0.00 0.00 0.00 174.94 175.30 1wg5 s PHE 89 N -0.31 0.02 0.05 3.97 0.08 0.10 -4.88 117.98 117.02 1wg5 s PHE 89 Ca 0.17 0.17 -0.35 0.00 0.12 0.00 0.00 56.93 57.04 1wg5 s PHE 89 Cb -0.13 -0.49 -0.18 0.00 -0.57 0.00 0.00 43.02 41.65 1wg5 s PHE 89 CO 0.05 -0.33 0.87 1.17 -0.10 0.00 0.00 175.22 176.89 1wg5 n LYS 90 N 5.30 0.00 -3.78 0.44 0.00 -1.26 -0.91 118.16 117.95 1wg5 n LYS 90 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.10 1wg5 n LYS 90 Cb 0.50 -1.29 -0.06 0.00 0.00 0.00 0.00 35.03 34.18 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 1.54 -0.10 -4.30 3.14 2.88 0.12 -4.69 113.62 112.20 1wg5 n SER 91 Ca 0.18 -2.71 -0.16 0.00 -1.33 0.00 0.00 58.87 54.85 1wg5 n SER 91 Cb 0.12 1.18 -0.10 0.00 -0.75 0.00 0.00 64.21 64.66 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 -2.86 1.70 0.07 -3.46 0.01 -1.26 -3.58 113.70 104.31 1wg5 s SER 92 Ca 0.27 -1.17 -0.29 0.00 1.31 0.00 0.00 55.95 56.07 1wg5 s SER 92 Cb 0.01 0.03 -0.18 0.00 0.21 0.00 0.00 66.02 66.10 1wg5 s SER 92 CO 0.19 -0.49 1.61 -0.09 0.41 0.00 0.00 173.24 174.87 1wg5 h ARG 93 N 2.57 -0.58 -0.63 12.44 2.43 -1.96 -3.05 114.38 125.60 1wg5 h ARG 93 Ca -0.38 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 58.95 1wg5 h ARG 93 Cb 1.21 0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 30.78 1wg5 h ARG 93 CO 0.64 -0.37 -0.26 0.00 -1.51 0.00 0.00 179.97 178.47 1wg5 h ALA 94 N -0.11 0.18 -0.74 2.80 0.00 -1.99 -1.61 119.26 117.79 1wg5 h ALA 94 Ca -0.06 0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1wg5 h ALA 94 Cb 0.49 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 1wg5 h ALA 94 CO 0.10 -0.56 -0.53 1.49 0.00 0.00 0.00 179.25 179.75 1wg5 h GLU 95 N -0.09 -0.16 -6.00 0.00 4.22 -1.96 -3.40 114.58 107.19 1wg5 h GLU 95 Ca 0.27 0.01 -0.81 0.00 0.08 0.00 0.00 59.36 58.92 1wg5 h GLU 95 Cb 0.53 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1wg5 h GLU 95 CO -0.69 -0.11 1.10 0.28 -2.18 0.00 0.00 179.01 177.41 1wg5 n VAL 96 N -5.34 0.01 -3.11 0.32 0.31 -0.61 -4.89 118.33 105.02 1wg5 n VAL 96 Ca 0.01 -0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1wg5 n VAL 96 Cb 0.32 -0.53 -0.06 0.00 -0.91 0.00 0.00 33.84 32.66 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 4.93 4.07 -0.05 5.55 1.70 -1.26 -4.97 118.95 128.92 1wg5 s ARG 97 Ca 1.14 0.74 0.02 0.00 -0.47 0.00 0.00 55.73 57.16 1wg5 s ARG 97 Cb -1.48 -2.50 0.06 0.00 -0.57 0.00 0.00 34.95 30.45 1wg5 s ARG 97 CO 0.71 0.19 1.00 -2.37 -1.08 0.00 0.00 175.30 173.75 1wg5 n THR 98 N -0.17 0.00 0.02 4.99 5.66 -1.26 -5.00 114.28 118.53 1wg5 n THR 98 Ca 0.03 -0.14 -0.02 0.00 -3.05 0.00 0.00 64.05 60.87 1wg5 n THR 98 Cb 0.53 0.53 -0.01 0.00 -1.55 0.00 0.00 70.33 69.83 1wg5 n THR 98 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1wg5 n SER 99 N -0.21 1.23 -3.35 1.09 2.88 -1.26 -5.14 113.62 108.86 1wg5 n SER 99 Ca -0.24 0.17 -0.10 0.00 -1.33 0.00 0.00 58.87 57.37 1wg5 n SER 99 Cb 0.69 -0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 63.74 1wg5 n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wg5 s GLY 100 N -4.20 0.59 0.50 0.46 0.00 -1.26 -4.98 107.32 98.43 1wg5 s GLY 100 Ca -0.05 -0.89 0.32 0.00 0.00 0.00 0.00 44.72 44.10 1wg5 s GLY 100 CO 0.08 -0.50 1.95 -0.56 0.00 0.00 0.00 173.10 174.07 1wg5 h PRO 101 N 2.07 0.00 0.00 2.90 0.13 -2.01 -3.43 132.00 131.67 1wg5 h PRO 101 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wg5 h PRO 101 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wg5 h PRO 101 CO 0.36 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.58 1wg5 n SER 102 N -2.92 0.00 -3.99 1.44 2.88 -1.26 -5.16 113.62 104.62 1wg5 n SER 102 Ca 0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 1wg5 n SER 102 Cb 0.28 0.10 -0.08 0.00 -0.75 0.00 0.00 64.21 63.75 1wg5 n SER 102 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg5 s SER 103 N -1.39 0.21 0.00 -3.46 0.01 -1.26 -5.18 113.70 102.63 1wg5 s SER 103 Ca 0.00 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1wg5 s SER 103 Cb 0.00 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1wg5 s SER 103 CO 0.00 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.52