#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg5 n SER 2 N 0.00 -7.08 -3.65 1.61 7.64 -1.26 -5.07 113.62 105.81 1wg5 n SER 2 Ca 0.00 0.99 -0.04 0.00 1.01 0.00 0.00 58.87 60.83 1wg5 n SER 2 Cb 0.00 -3.84 -0.06 0.00 -1.01 0.00 0.00 64.21 59.29 1wg5 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wg5 s SER 3 N -0.59 -0.78 0.00 6.43 0.15 -1.26 -5.16 113.70 112.49 1wg5 s SER 3 Ca 0.00 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1wg5 s SER 3 Cb 0.00 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 66.20 1wg5 s SER 3 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1wg5 n GLY 4 N 5.39 1.74 1.86 9.45 0.00 -1.26 -5.09 105.19 117.29 1wg5 n GLY 4 Ca -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1wg5 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg5 n SER 5 N 0.00 -0.00 -2.02 1.61 7.64 -1.26 -5.15 113.62 114.44 1wg5 n SER 5 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1wg5 n SER 5 Cb 0.00 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1wg5 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wg5 n SER 6 N -2.96 -7.98 -0.14 6.43 7.64 -1.26 -4.97 113.62 110.39 1wg5 n SER 6 Ca 0.00 1.42 0.00 0.00 1.01 0.00 0.00 58.87 61.30 1wg5 n SER 6 Cb 0.04 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 58.89 1wg5 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg5 n GLY 7 N 1.47 0.73 0.24 0.23 0.00 -1.26 -5.07 105.19 101.54 1wg5 n GLY 7 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.10 2.79 -1.57 1.61 2.85 -1.26 -5.14 115.26 114.44 1wg5 n ASN 8 Ca 0.00 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1wg5 n ASN 8 Cb 0.05 -0.08 0.00 0.00 1.24 0.00 0.00 39.78 40.99 1wg5 n ASN 8 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1wg5 n SER 9 N -2.77 -8.48 -4.71 1.20 2.88 -1.26 -4.73 113.62 95.75 1wg5 n SER 9 Ca -0.07 1.47 -0.42 0.00 -1.33 0.00 0.00 58.87 58.52 1wg5 n SER 9 Cb 0.57 -4.86 -0.03 0.00 -0.75 0.00 0.00 64.21 59.14 1wg5 n SER 9 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1wg5 s PRO 10 N -4.38 4.33 -0.15 -1.46 0.04 -1.26 -4.36 135.00 127.77 1wg5 s PRO 10 Ca 0.00 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 1wg5 s PRO 10 Cb 0.00 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.30 1wg5 s PRO 10 CO 0.00 -0.42 0.11 -3.47 0.04 0.00 0.00 177.00 173.26 1wg5 n ASP 11 N 3.96 -4.46 -3.29 6.66 2.03 -1.26 -5.06 116.55 115.14 1wg5 n ASP 11 Ca 0.11 1.17 0.04 0.00 0.52 0.00 0.00 54.79 56.62 1wg5 n ASP 11 Cb 0.43 -3.96 -0.05 0.00 -0.72 0.00 0.00 41.12 36.82 1wg5 n ASP 11 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1wg5 s THR 12 N -0.76 -0.01 0.41 5.18 -1.32 -1.26 -5.16 115.64 112.72 1wg5 s THR 12 Ca -0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1wg5 s THR 12 Cb 0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 1wg5 s THR 12 CO 0.51 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.92 1wg5 n ALA 13 N 4.12 -3.73 -2.05 11.08 0.00 -1.26 -5.02 120.51 123.65 1wg5 n ALA 13 Ca -0.09 0.57 -0.03 0.00 0.00 0.00 0.00 53.44 53.89 1wg5 n ALA 13 Cb 0.56 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 -4.33 -1.75 0.22 0.00 3.02 -1.26 -4.87 115.26 106.28 1wg5 n ASN 14 Ca -0.02 0.79 0.14 0.00 -0.03 0.00 0.00 54.58 55.46 1wg5 n ASN 14 Cb 0.67 -3.37 0.40 0.00 -0.61 0.00 0.00 39.78 36.87 1wg5 n ASN 14 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1wg5 h ASP 15 N 2.29 0.00 0.00 6.41 3.32 -1.93 -3.33 116.42 123.18 1wg5 h ASP 15 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1wg5 h ASP 15 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1wg5 h ASP 15 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1wg5 n GLY 16 N 0.68 1.33 3.85 2.75 0.00 -1.26 -3.61 105.19 108.92 1wg5 n GLY 16 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 3.38 0.03 1.61 0.08 -1.24 -0.52 117.98 119.32 1wg5 s PHE 17 Ca 0.00 1.17 -0.05 0.00 0.12 0.00 0.00 56.93 58.17 1wg5 s PHE 17 Cb 0.00 -2.50 -0.01 0.00 -0.57 0.00 0.00 43.02 39.94 1wg5 s PHE 17 CO 0.00 0.09 0.09 0.14 -0.10 0.00 0.00 175.22 175.44 1wg5 s VAL 18 N -2.01 0.12 -0.11 -0.44 -7.23 0.00 -1.24 120.40 109.50 1wg5 s VAL 18 Ca 0.53 -1.01 0.03 0.00 -1.81 0.00 0.00 61.98 59.72 1wg5 s VAL 18 Cb -0.10 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.08 1wg5 s VAL 18 CO 0.19 -0.55 -0.20 -0.60 -0.31 0.00 0.00 175.10 173.63 1wg5 s ARG 19 N -2.27 3.11 -0.00 4.82 3.52 0.01 -1.66 118.95 126.47 1wg5 s ARG 19 Ca -0.08 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.72 1wg5 s ARG 19 Cb -0.03 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.91 1wg5 s ARG 19 CO -0.03 0.23 0.07 -0.51 -0.81 0.00 0.00 175.30 174.24 1wg5 s LEU 20 N 0.26 3.82 -0.04 -0.88 1.43 0.32 -0.23 118.68 123.36 1wg5 s LEU 20 Ca -0.14 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1wg5 s LEU 20 Cb -0.17 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 43.85 1wg5 s LEU 20 CO 0.07 0.27 0.03 -0.13 0.23 0.00 0.00 176.35 176.82 1wg5 s ARG 21 N -1.72 0.15 0.00 1.70 0.52 0.13 -2.67 118.95 117.05 1wg5 s ARG 21 Ca 0.22 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.64 1wg5 s ARG 21 Cb -0.12 -0.52 0.00 0.00 0.52 0.00 0.00 34.95 34.83 1wg5 s ARG 21 CO 0.13 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1wg5 n GLY 22 N 4.70 1.10 3.77 -3.53 0.00 0.69 -0.19 105.19 111.74 1wg5 n GLY 22 Ca -0.16 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.14 3.91 0.97 0.99 1.43 -1.11 -4.43 118.68 120.30 1wg5 s LEU 23 Ca 0.00 2.23 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 1wg5 s LEU 23 Cb 0.00 -4.38 0.17 0.00 0.03 0.00 0.00 46.19 42.01 1wg5 s LEU 23 CO 0.00 -1.00 1.09 -2.16 0.23 0.00 0.00 176.35 174.51 1wg5 s PRO 24 N -2.93 0.68 0.15 1.29 0.04 -1.26 -4.71 135.00 128.26 1wg5 s PRO 24 Ca 0.67 0.62 -0.31 0.00 0.04 0.00 0.00 61.00 62.01 1wg5 s PRO 24 Cb -0.26 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 1wg5 s PRO 24 CO 0.31 -2.59 1.69 -0.06 0.04 0.00 0.00 177.00 176.39 1wg5 s PHE 25 N -2.95 2.71 -0.88 0.56 0.08 -1.26 -1.75 117.98 114.49 1wg5 s PHE 25 Ca 0.65 0.35 0.00 0.00 0.12 0.00 0.00 56.93 58.04 1wg5 s PHE 25 Cb -0.18 -4.05 0.00 0.00 -0.57 0.00 0.00 43.02 38.21 1wg5 s PHE 25 CO 0.57 -4.08 0.00 0.41 -0.10 0.00 0.00 175.22 172.02 1wg5 n GLY 26 N 3.97 0.66 3.67 4.36 0.00 -1.26 -4.95 105.19 111.63 1wg5 n GLY 26 Ca 0.16 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 3.55 0.73 0.22 0.00 0.01 -1.26 -5.01 113.70 111.94 1wg5 s SER 28 Ca 0.79 -1.46 -0.14 0.00 1.31 0.00 0.00 55.95 56.45 1wg5 s SER 28 Cb -0.38 0.37 0.25 0.00 0.21 0.00 0.00 66.02 66.47 1wg5 s SER 28 CO 0.35 -0.86 1.60 0.11 0.41 0.00 0.00 173.24 174.85 1wg5 h LYS 29 N 2.46 -0.03 -1.22 12.44 1.57 -1.97 0.31 116.57 130.12 1wg5 h LYS 29 Ca -0.35 0.00 0.45 0.00 -1.87 0.00 0.00 60.65 58.89 1wg5 h LYS 29 Cb 1.25 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 33.41 1wg5 h LYS 29 CO 0.52 -0.02 0.74 0.39 -0.57 0.00 0.00 179.45 180.51 1wg5 n GLU 30 N -5.47 -0.05 0.03 3.15 -0.58 -1.26 0.11 120.64 116.58 1wg5 n GLU 30 Ca 0.08 1.31 -0.17 0.00 -0.42 0.00 0.00 57.16 57.96 1wg5 n GLU 30 Cb 0.37 -2.48 -0.14 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 0.22 0.36 3.49 5.08 -0.83 -3.36 114.58 119.54 1wg5 h GLU 31 Ca 0.87 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 1wg5 h GLU 31 Cb 2.60 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.99 1wg5 h GLU 31 CO -0.60 1.05 -0.17 0.82 -1.00 0.00 0.00 179.01 179.11 1wg5 h ILE 32 N 0.06 0.00 -0.70 3.13 2.04 0.21 -0.58 117.51 121.67 1wg5 h ILE 32 Ca -0.30 -0.20 0.20 0.00 1.00 0.00 0.00 64.86 65.56 1wg5 h ILE 32 Cb 2.03 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.98 1wg5 h ILE 32 CO 0.13 0.00 0.04 0.52 0.00 0.00 0.00 178.15 178.84 1wg5 n VAL 33 N -3.83 -0.30 0.01 1.67 0.31 0.15 0.22 118.33 116.55 1wg5 n VAL 33 Ca -0.06 1.54 -0.18 0.00 -0.01 0.00 0.00 64.34 65.63 1wg5 n VAL 33 Cb 0.19 -2.27 -0.09 0.00 -0.91 0.00 0.00 33.84 30.76 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 0.69 -0.13 5.55 1.08 -1.70 -3.11 115.11 117.49 1wg5 h GLN 34 Ca 0.44 -0.65 0.04 0.00 -1.45 0.00 0.00 58.65 57.03 1wg5 h GLN 34 Cb 0.94 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 1wg5 h GLN 34 CO -0.65 1.25 0.34 0.35 -0.95 0.00 0.00 178.83 179.16 1wg5 h PHE 35 N 0.37 0.00 -0.66 2.96 3.57 0.42 0.31 116.94 123.92 1wg5 h PHE 35 Ca -0.09 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.03 1wg5 h PHE 35 Cb 1.49 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 40.01 1wg5 h PHE 35 CO 0.10 0.00 0.17 1.19 -2.23 0.00 0.00 178.31 177.54 1wg5 n PHE 36 N -3.20 2.10 -1.43 0.41 3.72 -0.51 -5.04 117.46 113.51 1wg5 n PHE 36 Ca 0.01 -1.96 -0.42 0.00 -0.05 0.00 0.00 57.45 55.03 1wg5 n PHE 36 Cb 0.42 -0.74 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 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 -1.15 0.00 4.37 2.88 0.11 -0.98 113.62 117.79 1wg5 n SER 37 Ca 0.46 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 1wg5 n SER 37 Cb 1.14 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 1.87 2.76 3.90 0.46 0.00 -1.26 -4.99 105.19 107.93 1wg5 n GLY 38 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 4.07 -0.21 0.99 1.43 -0.15 -5.08 118.68 119.73 1wg5 s LEU 39 Ca 0.00 0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 53.82 1wg5 s LEU 39 Cb 0.00 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 1wg5 s LEU 39 CO 0.00 -0.18 -0.02 -0.70 0.23 0.00 0.00 176.35 175.69 1wg5 s GLU 40 N -3.43 3.53 0.12 1.70 2.12 -1.26 -5.01 118.70 116.48 1wg5 s GLU 40 Ca 0.45 -0.56 0.10 0.00 0.36 0.00 0.00 54.97 55.31 1wg5 s GLU 40 Cb -0.11 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1wg5 s GLU 40 CO 0.28 -0.06 -0.21 0.42 -0.54 0.00 0.00 175.26 175.15 1wg5 s ILE 41 N 1.17 2.63 0.56 -3.70 1.01 -1.26 -2.36 121.20 119.24 1wg5 s ILE 41 Ca 0.03 -1.61 -0.17 0.00 0.00 0.00 0.00 60.65 58.89 1wg5 s ILE 41 Cb -0.14 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 1wg5 s ILE 41 CO 0.01 0.09 1.05 0.68 0.00 0.00 0.00 174.94 176.77 1wg5 s VAL 42 N -1.14 3.77 0.10 2.92 -7.23 -1.12 -4.82 120.40 112.89 1wg5 s VAL 42 Ca 0.17 0.93 -0.31 0.00 -1.81 0.00 0.00 61.98 60.96 1wg5 s VAL 42 Cb -0.10 -3.40 -0.08 0.00 0.56 0.00 0.00 36.38 33.36 1wg5 s VAL 42 CO 0.09 -0.40 1.37 -2.16 -0.31 0.00 0.00 175.10 173.68 1wg5 s PRO 43 N -3.77 4.33 -1.54 4.82 0.04 -1.26 -2.70 135.00 134.93 1wg5 s PRO 43 Ca 0.65 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1wg5 s PRO 43 Cb -0.16 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1wg5 s PRO 43 CO 0.31 -0.42 0.00 -1.71 0.04 0.00 0.00 177.00 175.22 1wg5 n ASN 44 N 4.00 -5.02 -2.16 6.66 5.15 -1.26 -4.89 115.26 117.75 1wg5 n ASN 44 Ca 0.11 0.10 -0.26 0.00 -0.60 0.00 0.00 54.58 53.93 1wg5 n ASN 44 Cb 0.43 -4.09 0.14 0.00 -0.53 0.00 0.00 39.78 35.74 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 -0.98 5.05 3.11 8.20 0.00 -1.10 -4.93 105.19 114.54 1wg5 n GLY 45 Ca -0.19 -1.55 -0.21 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.48 1.00 -0.06 1.61 -1.94 -1.26 0.20 119.30 115.37 1wg5 s MET 46 Ca 0.58 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 53.98 1wg5 s MET 46 Cb 0.48 -0.98 0.01 0.00 2.01 0.00 0.00 34.83 36.35 1wg5 s MET 46 CO 0.06 0.26 -0.13 0.99 -0.01 0.00 0.00 175.02 176.19 1wg5 s THR 47 N -0.57 1.17 -0.37 2.05 2.01 0.11 -4.96 115.64 115.09 1wg5 s THR 47 Ca 0.03 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1wg5 s THR 47 Cb -0.06 -1.06 0.12 0.00 0.01 0.00 0.00 72.50 71.51 1wg5 s THR 47 CO 0.00 0.36 0.18 -0.76 -0.69 0.00 0.00 174.62 173.71 1wg5 s LEU 48 N 0.57 2.20 1.13 4.42 1.02 -1.26 -0.45 118.68 126.31 1wg5 s LEU 48 Ca -0.13 -2.14 -0.17 0.00 0.02 0.00 0.00 54.13 51.71 1wg5 s LEU 48 Cb -0.15 -0.85 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 0.00 176.35 175.01 1wg5 s PRO 49 N 0.99 -0.62 0.34 1.29 0.04 -1.26 -5.01 135.00 130.78 1wg5 s PRO 49 Ca 0.14 0.15 -0.03 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 0.48 0.14 0.04 0.00 0.00 177.00 174.20 1wg5 s VAL 50 N -2.99 0.00 0.00 -0.36 -7.23 -1.26 -3.63 120.40 104.93 1wg5 s VAL 50 Ca 0.69 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 1wg5 s VAL 50 Cb -0.13 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.16 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 -1.41 0.00 0.26 4.85 -0.08 0.55 -4.79 116.55 115.93 1wg5 n ASP 51 Ca 0.01 -0.83 0.15 0.00 -1.51 0.00 0.00 54.79 52.61 1wg5 n ASP 51 Cb 0.61 0.00 0.67 0.00 2.34 0.00 0.00 41.12 44.74 1wg5 n ASP 51 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1wg5 h PHE 52 N -0.82 0.00 0.00 -0.67 3.04 -2.02 -2.73 116.94 113.74 1wg5 h PHE 52 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1wg5 h PHE 52 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1wg5 h PHE 52 CO 0.00 0.09 -1.79 1.04 -2.02 0.00 0.00 178.31 175.63 1wg5 n GLN 53 N -3.27 0.54 0.00 1.11 1.13 -1.26 -4.97 117.38 110.65 1wg5 n GLN 53 Ca -0.00 -0.16 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 1wg5 n GLN 53 Cb 0.31 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.16 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 1.32 1.52 3.64 1.08 0.00 -1.03 -5.10 105.19 106.63 1wg5 n GLY 54 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.13 4.18 0.16 1.61 0.52 -1.26 -4.59 118.95 119.44 1wg5 s ARG 55 Ca 0.00 0.79 -0.31 0.00 -0.52 0.00 0.00 55.73 55.69 1wg5 s ARG 55 Cb 0.00 -3.63 -0.18 0.00 0.52 0.00 0.00 34.95 31.67 1wg5 s ARG 55 CO 0.00 -0.42 0.64 -1.13 0.02 0.00 0.00 175.30 174.41 1wg5 n SER 56 N 5.69 -0.96 -1.81 0.23 3.41 -1.26 -0.33 113.62 118.59 1wg5 n SER 56 Ca 0.03 1.14 -0.00 0.00 -0.26 0.00 0.00 58.87 59.77 1wg5 n SER 56 Cb 0.48 -0.95 0.31 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.32 2.54 -1.66 6.66 -2.24 -1.24 -4.73 114.28 113.93 1wg5 n THR 57 Ca 0.18 -1.33 -0.17 0.00 -2.27 0.00 0.00 64.05 60.47 1wg5 n THR 57 Cb 0.22 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.02 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 0.19 1.18 3.19 3.38 0.00 -1.26 -4.84 105.19 107.03 1wg5 n GLY 58 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.72 0.88 0.12 1.61 2.02 -1.26 -0.22 118.70 118.13 1wg5 s GLU 59 Ca 0.00 -0.99 -0.24 0.00 0.02 0.00 0.00 54.97 53.76 1wg5 s GLU 59 Cb 0.00 -0.93 0.07 0.00 0.10 0.00 0.00 34.13 33.36 1wg5 s GLU 59 CO 0.00 0.21 0.60 0.00 0.02 0.00 0.00 175.26 176.09 1wg5 s ALA 60 N -1.25 -1.59 -0.12 5.21 0.00 -1.09 -4.09 121.76 118.83 1wg5 s ALA 60 Ca -0.00 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 1wg5 s ALA 60 Cb -0.10 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.78 1wg5 s ALA 60 CO 0.03 -0.69 -0.06 -0.06 0.00 0.00 0.00 175.76 174.97 1wg5 s PHE 61 N -3.32 1.44 0.02 0.00 0.08 0.40 -0.52 117.98 116.07 1wg5 s PHE 61 Ca -0.01 -0.76 0.03 0.00 0.12 0.00 0.00 56.93 56.31 1wg5 s PHE 61 Cb -0.01 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1wg5 s PHE 61 CO -0.09 -0.52 -0.03 0.08 -0.10 0.00 0.00 175.22 174.56 1wg5 s VAL 62 N 1.72 3.89 -0.30 -0.44 1.01 -0.67 0.09 120.40 125.71 1wg5 s VAL 62 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1wg5 s VAL 62 Cb -0.13 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.57 1wg5 s VAL 62 CO -0.08 0.33 -0.02 -1.58 0.00 0.00 0.00 175.10 173.75 1wg5 s GLN 63 N -1.65 2.22 0.55 2.72 0.74 0.13 -0.82 119.66 123.55 1wg5 s GLN 63 Ca 0.20 -1.40 -0.16 0.00 0.05 0.00 0.00 55.36 54.04 1wg5 s GLN 63 Cb -0.11 -3.10 -0.06 0.00 1.10 0.00 0.00 33.01 30.84 1wg5 s GLN 63 CO 0.11 -0.67 1.02 -0.06 -0.55 0.00 0.00 175.29 175.13 1wg5 s PHE 64 N 1.15 3.29 0.52 1.67 0.08 0.32 -2.81 117.98 122.19 1wg5 s PHE 64 Ca -0.04 1.47 0.31 0.00 0.12 0.00 0.00 56.93 58.79 1wg5 s PHE 64 Cb -0.20 -2.87 1.44 0.00 -0.57 0.00 0.00 43.02 40.83 1wg5 s PHE 64 CO -0.04 -0.67 1.84 0.00 -0.10 0.00 0.00 175.22 176.25 1wg5 h ALA 65 N 0.64 2.85 -2.14 5.36 0.00 -1.72 -3.40 119.26 120.84 1wg5 h ALA 65 Ca -0.47 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 54.61 1wg5 h ALA 65 Cb 1.20 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 1wg5 h ALA 65 CO 0.60 -1.15 0.56 0.45 0.00 0.00 0.00 179.25 179.70 1wg5 s SER 66 N -5.42 -0.21 0.18 0.00 0.15 -1.24 -4.95 113.70 102.21 1wg5 s SER 66 Ca -0.06 -0.22 -0.14 0.00 0.70 0.00 0.00 55.95 56.23 1wg5 s SER 66 Cb 0.23 0.39 0.17 0.00 -1.71 0.00 0.00 66.02 65.09 1wg5 s SER 66 CO 0.79 -0.69 1.70 -0.61 1.20 0.00 0.00 173.24 175.63 1wg5 h GLN 67 N 2.00 0.16 -1.12 5.44 -0.00 -1.68 -0.44 115.11 119.46 1wg5 h GLN 67 Ca -0.23 -0.01 0.36 0.00 -0.00 0.00 0.00 58.65 58.76 1wg5 h GLN 67 Cb 1.23 -0.04 -0.13 0.00 0.00 0.00 0.00 27.48 28.54 1wg5 h GLN 67 CO 0.27 0.10 0.69 1.05 0.00 0.00 0.00 178.83 180.95 1wg5 h GLU 68 N 0.16 0.23 0.00 1.69 4.11 -1.94 1.05 114.58 119.87 1wg5 h GLU 68 Ca 0.23 -0.01 -0.18 0.00 0.07 0.00 0.00 59.36 59.47 1wg5 h GLU 68 Cb 0.33 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1wg5 h GLU 68 CO -0.35 0.15 -1.01 0.82 0.07 0.00 0.00 179.01 178.70 1wg5 h ILE 69 N 0.24 1.14 -0.19 -1.06 2.04 -1.51 -3.31 117.51 114.86 1wg5 h ILE 69 Ca 0.74 -2.72 -0.01 0.00 1.00 0.00 0.00 64.86 63.87 1wg5 h ILE 69 Cb 1.99 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 40.59 1wg5 h ILE 69 CO -0.48 0.65 0.07 0.00 0.00 0.00 0.00 178.15 178.39 1wg5 h ALA 70 N 1.22 0.24 -0.36 1.87 0.00 0.21 -2.94 119.26 119.50 1wg5 h ALA 70 Ca -0.07 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1wg5 h ALA 70 Cb 1.65 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1wg5 h ALA 70 CO 0.09 -0.16 0.10 0.93 0.00 0.00 0.00 179.25 180.20 1wg5 h GLU 71 N 0.15 0.23 -0.78 0.00 5.08 -1.35 -0.66 114.58 117.24 1wg5 h GLU 71 Ca 0.06 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.61 1wg5 h GLU 71 Cb 0.18 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1wg5 h GLU 71 CO -0.00 0.15 0.54 0.87 -1.00 0.00 0.00 179.01 179.56 1wg5 h LYS 72 N 0.23 0.18 0.03 2.33 1.57 -1.62 0.15 116.57 119.44 1wg5 h LYS 72 Ca 0.17 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.70 1wg5 h LYS 72 Cb 0.16 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1wg5 h LYS 72 CO -0.19 0.12 -1.17 0.00 -0.57 0.00 0.00 179.45 177.64 1wg5 h ALA 73 N 1.63 0.34 -0.82 3.86 0.00 -1.01 -3.32 119.26 119.94 1wg5 h ALA 73 Ca 0.38 -0.98 0.10 0.00 0.00 0.00 0.00 54.91 54.41 1wg5 h ALA 73 Cb 1.24 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1wg5 h ALA 73 CO -0.07 1.23 0.47 -0.07 0.00 0.00 0.00 179.25 180.80 1wg5 h LEU 74 N 0.02 0.66 -2.15 0.00 3.38 0.68 0.20 115.31 118.11 1wg5 h LEU 74 Ca -0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wg5 h LEU 74 Cb 1.85 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1wg5 h LEU 74 CO 0.14 0.38 0.07 0.11 0.09 0.00 0.00 178.44 179.23 1wg5 h LYS 75 N 0.78 0.00 -1.10 1.13 1.79 -1.60 -1.65 116.57 115.91 1wg5 h LYS 75 Ca 0.40 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.73 1wg5 h LYS 75 Cb 0.37 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.94 1wg5 h LYS 75 CO -0.25 0.00 0.18 1.63 -1.08 0.00 0.00 179.45 179.93 1wg5 n LYS 76 N -2.68 1.34 -2.53 3.15 5.02 0.69 -4.92 118.16 118.23 1wg5 n LYS 76 Ca -0.02 -0.80 -0.34 0.00 -2.02 0.00 0.00 58.31 55.13 1wg5 n LYS 76 Cb 0.12 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 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 -0.88 3.00 0.00 2.13 2.46 -0.62 -3.04 115.29 118.33 1wg5 s HIS 77 Ca 0.15 1.57 0.00 0.00 0.47 0.00 0.00 55.06 57.26 1wg5 s HIS 77 Cb 0.13 -3.06 0.00 0.00 -0.13 0.00 0.00 32.58 29.51 1wg5 s HIS 77 CO 0.02 -0.84 0.00 1.63 -2.47 0.00 0.00 174.74 173.09 1wg5 n LYS 78 N -1.01 -1.02 -2.20 2.88 4.76 0.33 -4.91 118.16 116.99 1wg5 n LYS 78 Ca 0.09 0.25 -0.43 0.00 -2.87 0.00 0.00 58.31 55.36 1wg5 n LYS 78 Cb 0.53 -4.35 -0.02 0.00 -1.84 0.00 0.00 35.03 29.34 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 -1.27 3.66 0.32 1.97 0.41 -0.97 -3.91 118.70 118.92 1wg5 s GLU 79 Ca 0.00 1.36 -0.25 0.00 -0.41 0.00 0.00 54.97 55.67 1wg5 s GLU 79 Cb 0.00 -4.04 -0.10 0.00 -1.78 0.00 0.00 34.13 28.21 1wg5 s GLU 79 CO 0.00 -1.45 0.92 -0.98 -0.49 0.00 0.00 175.26 173.26 1wg5 s ARG 80 N 4.86 4.52 -0.60 1.61 1.04 -1.26 -1.24 118.95 127.88 1wg5 s ARG 80 Ca 0.68 1.26 0.01 0.00 -1.04 0.00 0.00 55.73 56.65 1wg5 s ARG 80 Cb -0.20 -2.74 0.15 0.00 -2.04 0.00 0.00 34.95 30.12 1wg5 s ARG 80 CO 0.30 0.26 0.38 0.42 -0.04 0.00 0.00 175.30 176.62 1wg5 s ILE 81 N -1.67 3.13 0.00 4.99 1.01 -1.00 -4.77 121.20 122.90 1wg5 s ILE 81 Ca 0.51 -3.34 0.00 0.00 0.00 0.00 0.00 60.65 57.82 1wg5 s ILE 81 Cb -0.17 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1wg5 s ILE 81 CO 0.22 -0.87 0.00 0.61 0.00 0.00 0.00 174.94 174.91 1wg5 n GLY 82 N 3.06 2.79 0.00 6.18 0.00 -1.26 -4.29 105.19 111.67 1wg5 n GLY 82 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.21 1.61 1.44 -1.26 -5.13 115.22 108.67 1wg5 n HIS 83 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1wg5 n HIS 83 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 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 0.50 0.25 -1.40 1.81 -1.26 -5.06 118.95 113.79 1wg5 s ARG 84 Ca 0.00 0.58 -0.30 0.00 -1.72 0.00 0.00 55.73 54.29 1wg5 s ARG 84 Cb 0.00 0.11 -0.14 0.00 -0.45 0.00 0.00 34.95 34.47 1wg5 s ARG 84 CO 0.00 -0.88 1.17 0.66 -0.68 0.00 0.00 175.30 175.58 1wg5 n TYR 85 N 5.40 1.60 -4.28 -0.53 4.01 -1.26 -2.37 117.16 119.72 1wg5 n TYR 85 Ca 0.01 0.62 -0.34 0.00 -0.16 0.00 0.00 57.90 58.03 1wg5 n TYR 85 Cb 0.52 -2.33 -0.14 0.00 -0.31 0.00 0.00 39.34 37.08 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 -0.60 3.39 -0.33 -0.72 -1.09 -0.37 -4.57 121.20 116.91 1wg5 s ILE 86 Ca 0.64 -0.51 -0.15 0.00 -2.23 0.00 0.00 60.65 58.41 1wg5 s ILE 86 Cb -0.71 -2.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.65 1wg5 s ILE 86 CO 0.56 0.47 0.33 -1.61 -1.23 0.00 0.00 174.94 173.46 1wg5 s GLU 87 N 0.88 3.63 -0.16 2.79 8.01 0.74 0.12 118.70 134.70 1wg5 s GLU 87 Ca -0.02 -0.40 -0.07 0.00 0.01 0.00 0.00 54.97 54.50 1wg5 s GLU 87 Cb -0.15 -3.78 -0.04 0.00 -4.31 0.00 0.00 34.13 25.85 1wg5 s GLU 87 CO 0.01 -0.46 0.07 0.42 0.01 0.00 0.00 175.26 175.31 1wg5 s ILE 88 N 1.96 4.88 -0.07 -1.63 1.01 -1.26 0.22 121.20 126.32 1wg5 s ILE 88 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 1wg5 s ILE 88 Cb -0.17 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 39.16 1wg5 s ILE 88 CO 0.11 0.50 0.03 -0.36 0.00 0.00 0.00 174.94 175.22 1wg5 s PHE 89 N 0.03 0.40 -0.05 3.97 0.08 0.68 -4.89 117.98 118.19 1wg5 s PHE 89 Ca 0.06 -0.02 -0.40 0.00 0.12 0.00 0.00 56.93 56.69 1wg5 s PHE 89 Cb -0.12 -0.67 -0.19 0.00 -0.57 0.00 0.00 43.02 41.47 1wg5 s PHE 89 CO 0.01 -0.29 1.22 1.17 -0.10 0.00 0.00 175.22 177.23 1wg5 n LYS 90 N 5.22 0.31 -2.99 0.44 0.00 -1.26 -0.81 118.16 119.06 1wg5 n LYS 90 Ca -0.05 0.11 -0.10 0.00 0.00 0.00 0.00 58.31 58.27 1wg5 n LYS 90 Cb 0.50 -1.65 -0.03 0.00 0.00 0.00 0.00 35.03 33.84 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 2.19 0.56 -4.01 3.14 2.88 -0.37 -4.75 113.62 113.26 1wg5 n SER 91 Ca 0.21 -1.93 -0.09 0.00 -1.33 0.00 0.00 58.87 55.74 1wg5 n SER 91 Cb 0.09 0.54 -0.11 0.00 -0.75 0.00 0.00 64.21 63.98 1wg5 n SER 91 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wg5 s SER 92 N -2.04 0.34 0.26 -3.46 1.04 -1.26 -3.71 113.70 104.87 1wg5 s SER 92 Ca 0.12 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 1wg5 s SER 92 Cb 0.01 0.11 0.52 0.00 0.10 0.00 0.00 66.02 66.76 1wg5 s SER 92 CO 0.08 -0.35 1.78 -0.09 0.98 0.00 0.00 173.24 175.64 1wg5 h ARG 93 N 4.34 0.67 -0.67 4.02 2.43 -1.95 -1.01 114.38 122.21 1wg5 h ARG 93 Ca -0.33 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 58.91 1wg5 h ARG 93 Cb 1.20 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.52 1wg5 h ARG 93 CO 0.46 0.44 0.28 0.00 -1.51 0.00 0.00 179.97 179.64 1wg5 h ALA 94 N 1.54 0.89 0.15 2.80 0.00 -1.96 -2.38 119.26 120.31 1wg5 h ALA 94 Ca 0.46 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.46 1wg5 h ALA 94 Cb 0.61 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1wg5 h ALA 94 CO -0.34 -0.15 -0.20 1.49 0.00 0.00 0.00 179.25 180.05 1wg5 h GLU 95 N 0.47 -0.39 -5.33 0.00 4.81 -1.50 -3.35 114.58 109.29 1wg5 h GLU 95 Ca 0.34 0.03 -0.54 0.00 -0.13 0.00 0.00 59.36 59.06 1wg5 h GLU 95 Cb 0.42 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1wg5 h GLU 95 CO -0.31 -0.26 1.66 0.28 -0.73 0.00 0.00 179.01 179.64 1wg5 n VAL 96 N -5.32 -0.00 -1.68 0.32 0.31 -0.90 -4.84 118.33 106.21 1wg5 n VAL 96 Ca -0.07 -0.20 -0.38 0.00 -0.01 0.00 0.00 64.34 63.68 1wg5 n VAL 96 Cb 0.24 -1.10 0.05 0.00 -0.91 0.00 0.00 33.84 32.12 1wg5 n VAL 96 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1wg5 n ARG 97 N 8.47 1.21 -1.99 5.55 0.00 -1.26 -4.94 116.66 123.70 1wg5 n ARG 97 Ca 0.56 0.46 -0.03 0.00 -0.00 0.00 0.00 57.85 58.84 1wg5 n ARG 97 Cb 0.15 -2.38 0.04 0.00 -0.00 0.00 0.00 32.46 30.28 1wg5 n ARG 97 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1wg5 n THR 98 N -1.50 0.09 -3.12 8.89 5.66 -1.26 -5.06 114.28 117.97 1wg5 n THR 98 Ca 0.13 -0.75 -0.21 0.00 -3.05 0.00 0.00 64.05 60.17 1wg5 n THR 98 Cb 0.46 0.83 0.02 0.00 -1.55 0.00 0.00 70.33 70.09 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 -0.80 -6.95 0.00 1.09 7.64 -1.26 -4.98 113.62 108.36 1wg5 n SER 99 Ca -0.19 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1wg5 n SER 99 Cb 0.82 -3.87 0.00 0.00 -1.01 0.00 0.00 64.21 60.15 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 -0.28 -0.76 0.19 0.23 0.00 -1.26 -4.99 105.19 98.32 1wg5 n GLY 100 Ca 0.03 -0.86 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 1wg5 n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg5 h PRO 101 N 0.00 0.24 -5.10 1.61 0.13 -2.01 -3.43 132.00 123.44 1wg5 h PRO 101 Ca 0.00 -0.13 -0.30 0.00 -0.87 0.00 0.00 66.00 64.70 1wg5 h PRO 101 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1wg5 h PRO 101 CO 0.00 0.66 1.54 0.43 -0.23 0.00 0.00 178.00 180.40 1wg5 n SER 102 N -3.99 -0.36 -3.62 1.44 7.64 -1.26 -4.75 113.62 108.72 1wg5 n SER 102 Ca -0.02 -0.66 -0.08 0.00 1.01 0.00 0.00 58.87 59.13 1wg5 n SER 102 Cb 0.52 -0.88 -0.06 0.00 -1.01 0.00 0.00 64.21 62.78 1wg5 n SER 102 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wg5 s SER 103 N 4.11 -0.31 0.00 6.43 1.04 -1.26 -4.68 113.70 119.03 1wg5 s SER 103 Ca 1.22 0.51 0.00 0.00 0.48 0.00 0.00 55.95 58.17 1wg5 s SER 103 Cb -0.71 0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1wg5 s SER 103 CO 0.44 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.11