#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj6 s SER 2 N 0.00 6.07 -0.23 1.61 0.15 -1.26 -3.97 113.70 116.06 1wj6 s SER 2 Ca 0.00 1.68 -0.04 0.00 0.70 0.00 0.00 55.95 58.29 1wj6 s SER 2 Cb 0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.80 1wj6 s SER 2 CO 0.00 -1.50 0.07 -0.24 1.20 0.00 0.00 173.24 172.77 1wj6 n SER 3 N 9.50 -5.76 0.00 5.45 2.88 -1.26 -4.97 113.62 119.47 1wj6 n SER 3 Ca 0.22 1.30 0.00 0.00 -1.33 0.00 0.00 58.87 59.06 1wj6 n SER 3 Cb 0.45 -4.82 0.00 0.00 -0.75 0.00 0.00 64.21 59.09 1wj6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj6 n GLY 4 N 1.12 2.31 3.55 0.46 0.00 -1.25 -5.16 105.19 106.22 1wj6 n GLY 4 Ca -0.12 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 1wj6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wj6 s SER 5 N 0.00 -0.25 0.03 1.61 0.15 -1.26 -4.58 113.70 109.39 1wj6 s SER 5 Ca 0.00 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1wj6 s SER 5 Cb 0.00 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1wj6 s SER 5 CO 0.00 -0.41 0.11 -0.44 1.20 0.00 0.00 173.24 173.70 1wj6 s SER 6 N -2.23 5.82 -0.22 5.45 0.01 -1.26 -5.10 113.70 116.17 1wj6 s SER 6 Ca 0.07 0.15 -0.34 0.00 1.31 0.00 0.00 55.95 57.14 1wj6 s SER 6 Cb -0.01 -1.68 0.15 0.00 0.21 0.00 0.00 66.02 64.69 1wj6 s SER 6 CO -0.06 0.23 1.25 -0.83 0.41 0.00 0.00 173.24 174.23 1wj6 s GLY 7 N -2.05 -0.18 -0.10 3.44 0.00 -1.26 -5.13 107.32 102.04 1wj6 s GLY 7 Ca 0.27 2.00 -0.30 0.00 0.00 0.00 0.00 44.72 46.69 1wj6 s GLY 7 CO 0.19 0.74 1.24 2.56 0.00 0.00 0.00 173.10 177.83 1wj6 s PRO 8 N -1.88 4.30 0.79 2.90 0.04 -1.26 -5.00 135.00 134.88 1wj6 s PRO 8 Ca 0.08 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 1wj6 s PRO 8 Cb -0.01 -3.65 0.07 0.00 0.04 0.00 0.00 34.50 30.95 1wj6 s PRO 8 CO -0.05 -0.56 1.15 -1.01 0.04 0.00 0.00 177.00 176.57 1wj6 s HIS 9 N 2.77 2.12 0.23 0.56 3.76 -1.26 -5.05 115.29 118.42 1wj6 s HIS 9 Ca 0.56 1.64 0.02 0.00 -0.15 0.00 0.00 55.06 57.14 1wj6 s HIS 9 Cb -0.24 -3.29 -0.05 0.00 1.11 0.00 0.00 32.58 30.11 1wj6 s HIS 9 CO 0.19 -2.35 0.03 -1.54 -0.85 0.00 0.00 174.74 170.23 1wj6 s SER 10 N -2.64 1.53 0.50 1.40 1.04 -1.26 -5.09 113.70 109.18 1wj6 s SER 10 Ca 0.68 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1wj6 s SER 10 Cb -0.23 0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1wj6 s SER 10 CO 0.51 -0.59 0.00 0.80 0.98 0.00 0.00 173.24 174.94 1wj6 n MET 11 N -0.40 -4.10 0.00 4.02 1.56 -1.26 -5.09 117.12 111.85 1wj6 n MET 11 Ca -0.04 3.08 0.00 0.00 -0.27 0.00 0.00 57.70 60.47 1wj6 n MET 11 Cb 0.65 -3.55 0.00 0.00 2.15 0.00 0.00 33.22 32.46 1wj6 n MET 11 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1wj6 n GLU 12 N -1.28 0.00 -0.02 2.12 2.13 -1.26 -5.05 120.64 117.27 1wj6 n GLU 12 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1wj6 n GLU 12 Cb 0.10 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.71 1wj6 n GLU 12 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1wj6 h PRO 13 N 0.00 0.30 -4.49 5.31 0.13 -1.87 -3.44 132.00 127.93 1wj6 h PRO 13 Ca 0.00 -0.29 -0.45 0.00 -0.87 0.00 0.00 66.00 64.39 1wj6 h PRO 13 Cb 0.00 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 31.12 1wj6 h PRO 13 CO 0.00 0.97 1.56 1.04 -0.23 0.00 0.00 178.00 181.33 1wj6 n GLN 14 N -4.40 0.00 -4.18 0.86 6.02 -1.12 -4.67 117.38 109.90 1wj6 n GLN 14 Ca -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.56 1wj6 n GLN 14 Cb 0.55 -1.34 -0.08 0.00 1.02 0.00 0.00 30.24 30.39 1wj6 n GLN 14 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1wj6 s VAL 15 N 7.94 4.55 -0.42 5.09 1.01 -0.76 -4.80 120.40 133.01 1wj6 s VAL 15 Ca 1.21 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 62.59 1wj6 s VAL 15 Cb -1.13 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1wj6 s VAL 15 CO 0.44 0.40 0.50 -0.89 0.00 0.00 0.00 175.10 175.56 1wj6 s THR 16 N -1.12 5.01 -0.57 3.92 2.01 0.53 -0.95 115.64 124.47 1wj6 s THR 16 Ca 0.20 -0.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.90 1wj6 s THR 16 Cb -0.12 -4.07 0.11 0.00 0.01 0.00 0.00 72.50 68.43 1wj6 s THR 16 CO 0.11 -0.44 0.61 -0.76 -0.69 0.00 0.00 174.62 173.45 1wj6 s LEU 17 N 2.36 5.72 -0.56 4.42 1.43 -0.48 0.15 118.68 131.74 1wj6 s LEU 17 Ca 0.16 -1.57 -0.24 0.00 -1.03 0.00 0.00 54.13 51.44 1wj6 s LEU 17 Cb -0.16 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.84 1wj6 s LEU 17 CO 0.15 -1.00 0.95 0.20 0.23 0.00 0.00 176.35 176.89 1wj6 s ASN 18 N 3.59 6.34 -0.26 2.29 0.01 1.00 -0.66 114.94 127.24 1wj6 s ASN 18 Ca 0.08 -0.35 -0.11 0.00 -0.71 0.00 0.00 52.86 51.77 1wj6 s ASN 18 Cb -0.27 -2.44 -0.05 0.00 0.41 0.00 0.00 41.25 38.90 1wj6 s ASN 18 CO 0.05 -1.25 0.18 -0.69 -1.51 0.00 0.00 177.10 173.88 1wj6 s VAL 19 N 4.00 5.33 -0.46 1.60 1.01 0.86 0.19 120.40 132.93 1wj6 s VAL 19 Ca 0.31 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 1wj6 s VAL 19 Cb -0.12 -3.52 0.12 0.00 0.00 0.00 0.00 36.38 32.86 1wj6 s VAL 19 CO 0.19 0.30 0.24 -0.89 0.00 0.00 0.00 175.10 174.94 1wj6 s THR 20 N 1.40 3.24 -0.59 3.92 2.01 0.49 0.86 115.64 126.97 1wj6 s THR 20 Ca 0.07 -2.36 -0.20 0.00 0.31 0.00 0.00 61.69 59.52 1wj6 s THR 20 Cb -0.15 -3.21 0.08 0.00 0.01 0.00 0.00 72.50 69.23 1wj6 s THR 20 CO 0.08 -0.73 0.77 0.12 -0.69 0.00 0.00 174.62 174.16 1wj6 s PHE 21 N 0.77 2.91 0.00 4.92 5.36 0.13 -2.69 117.98 129.38 1wj6 s PHE 21 Ca 0.11 -0.71 0.00 0.00 -0.96 0.00 0.00 56.93 55.37 1wj6 s PHE 21 Cb -0.22 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.47 1wj6 s PHE 21 CO -0.04 -1.33 0.00 1.63 -1.46 0.00 0.00 175.22 174.01 1wj6 n LYS 22 N 6.72 0.00 0.00 10.12 5.02 -1.26 0.12 118.16 138.88 1wj6 n LYS 22 Ca -0.07 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.24 1wj6 n LYS 22 Cb 0.44 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.45 1wj6 n LYS 22 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wj6 n ASN 23 N 5.56 0.59 -4.86 4.39 2.85 -1.26 -5.02 115.26 117.51 1wj6 n ASN 23 Ca 0.00 -0.79 -0.33 0.00 -0.11 0.00 0.00 54.58 53.35 1wj6 n ASN 23 Cb 0.00 0.59 -0.06 0.00 1.24 0.00 0.00 39.78 41.56 1wj6 n ASN 23 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1wj6 s GLU 24 N -0.86 3.93 -0.02 1.20 8.01 0.12 -5.09 118.70 126.00 1wj6 s GLU 24 Ca 0.02 0.50 0.02 0.00 0.01 0.00 0.00 54.97 55.53 1wj6 s GLU 24 Cb 0.02 -2.57 0.00 0.00 -4.31 0.00 0.00 34.13 27.28 1wj6 s GLU 24 CO 0.08 0.25 -0.07 0.42 0.01 0.00 0.00 175.26 175.95 1wj6 s ILE 25 N -1.86 0.63 0.16 -1.63 1.01 -1.26 0.18 121.20 118.43 1wj6 s ILE 25 Ca 0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 1wj6 s ILE 25 Cb -0.11 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1wj6 s ILE 25 CO 0.19 0.20 0.12 -1.10 0.00 0.00 0.00 174.94 174.35 1wj6 s GLN 26 N 0.10 1.08 -0.03 2.79 -0.21 0.25 -4.98 119.66 118.66 1wj6 s GLN 26 Ca -0.01 -1.48 -0.01 0.00 0.02 0.00 0.00 55.36 53.88 1wj6 s GLN 26 Cb -0.06 0.27 0.03 0.00 1.00 0.00 0.00 33.01 34.25 1wj6 s GLN 26 CO -0.00 -0.34 0.05 0.45 -2.12 0.00 0.00 175.29 173.33 1wj6 s SER 27 N -3.08 0.39 -0.23 5.90 0.15 -1.25 -0.10 113.70 115.48 1wj6 s SER 27 Ca 0.29 0.08 0.02 0.00 0.70 0.00 0.00 55.95 57.04 1wj6 s SER 27 Cb 0.07 -0.06 0.05 0.00 -1.71 0.00 0.00 66.02 64.36 1wj6 s SER 27 CO 0.06 -0.17 -0.11 -0.36 1.20 0.00 0.00 173.24 173.86 1wj6 s PHE 28 N 1.45 2.78 0.21 3.44 0.08 0.16 -4.90 117.98 121.19 1wj6 s PHE 28 Ca -0.05 -1.90 -0.30 0.00 0.12 0.00 0.00 56.93 54.80 1wj6 s PHE 28 Cb -0.13 -1.77 -0.08 0.00 -0.57 0.00 0.00 43.02 40.47 1wj6 s PHE 28 CO -0.03 -0.81 1.01 -1.17 -0.10 0.00 0.00 175.22 174.12 1wj6 s LEU 29 N 1.27 4.57 -0.45 -0.37 2.96 -1.26 -1.38 118.68 124.03 1wj6 s LEU 29 Ca -0.04 2.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.91 1wj6 s LEU 29 Cb -0.18 -3.61 0.13 0.00 0.50 0.00 0.00 46.19 43.03 1wj6 s LEU 29 CO -0.07 -0.02 0.21 -0.69 -1.32 0.00 0.00 176.35 174.45 1wj6 s VAL 30 N -0.74 1.93 -0.98 1.68 1.01 -0.13 -4.89 120.40 118.27 1wj6 s VAL 30 Ca 0.45 -2.72 0.16 0.00 0.00 0.00 0.00 61.98 59.86 1wj6 s VAL 30 Cb -0.27 -2.36 0.13 0.00 0.00 0.00 0.00 36.38 33.88 1wj6 s VAL 30 CO 0.34 -0.80 1.51 -0.24 0.00 0.00 0.00 175.10 175.91 1wj6 n SER 31 N 3.58 0.02 -3.08 3.32 2.88 -1.26 -1.83 113.62 117.24 1wj6 n SER 31 Ca 0.06 0.51 -0.20 0.00 -1.33 0.00 0.00 58.87 57.90 1wj6 n SER 31 Cb 0.35 -0.51 -0.04 0.00 -0.75 0.00 0.00 64.21 63.26 1wj6 n SER 31 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wj6 n ASP 32 N -1.52 -0.61 0.05 -3.46 9.92 -1.26 -4.23 116.55 115.43 1wj6 n ASP 32 Ca 0.04 -2.84 -0.13 0.00 -0.53 0.00 0.00 54.79 51.32 1wj6 n ASP 32 Cb 0.19 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 40.61 1wj6 n ASP 32 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1wj6 h PRO 33 N 4.03 0.47 0.00 -0.24 0.13 -1.84 0.29 132.00 134.85 1wj6 h PRO 33 Ca 0.02 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wj6 h PRO 33 Cb 0.92 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1wj6 h PRO 33 CO 0.42 1.11 0.00 0.93 -0.23 0.00 0.00 178.00 180.23 1wj6 h GLU 34 N 0.29 0.00 0.00 0.86 5.08 -1.92 -3.30 114.58 115.59 1wj6 h GLU 34 Ca -0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1wj6 h GLU 34 Cb 1.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1wj6 h GLU 34 CO 0.16 0.00 -1.05 -1.71 -1.00 0.00 0.00 179.01 175.41 1wj6 n ASN 35 N -2.37 1.90 -4.36 1.42 5.15 -1.14 -4.98 115.26 110.88 1wj6 n ASN 35 Ca 0.03 0.43 -0.32 0.00 -0.60 0.00 0.00 54.58 54.12 1wj6 n ASN 35 Cb 0.33 -0.80 0.15 0.00 -0.53 0.00 0.00 39.78 38.93 1wj6 n ASN 35 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1wj6 n THR 36 N -4.48 0.00 -4.22 -0.44 5.66 0.10 -5.01 114.28 105.89 1wj6 n THR 36 Ca -0.18 -0.25 -0.29 0.00 -3.05 0.00 0.00 64.05 60.29 1wj6 n THR 36 Cb 0.50 -0.64 -0.09 0.00 -1.55 0.00 0.00 70.33 68.55 1wj6 n THR 36 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wj6 s THR 37 N -2.33 3.46 0.31 1.09 -4.23 -1.26 -4.88 115.64 107.80 1wj6 s THR 37 Ca 0.57 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 1wj6 s THR 37 Cb -0.17 -2.66 0.29 0.00 1.34 0.00 0.00 72.50 71.30 1wj6 s THR 37 CO 0.67 0.05 1.88 -0.25 -0.54 0.00 0.00 174.62 176.43 1wj6 h TRP 38 N 3.36 1.02 -0.34 3.99 -0.00 -1.89 0.42 115.95 122.51 1wj6 h TRP 38 Ca -0.48 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.45 1wj6 h TRP 38 Cb 1.18 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 29.99 1wj6 h TRP 38 CO 0.61 0.47 0.23 0.00 -0.00 0.00 0.00 178.44 179.75 1wj6 h ALA 39 N 1.54 1.80 0.00 2.65 0.00 -1.93 0.89 119.26 124.22 1wj6 h ALA 39 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1wj6 h ALA 39 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1wj6 h ALA 39 CO -0.19 0.17 0.00 -0.44 0.00 0.00 0.00 179.25 178.79 1wj6 h ASP 40 N 0.42 0.00 0.00 0.00 5.19 -0.58 -2.96 116.42 118.49 1wj6 h ASP 40 Ca 0.13 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.45 1wj6 h ASP 40 Cb 0.01 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1wj6 h ASP 40 CO -0.03 0.00 -0.80 -0.38 -3.12 0.00 0.00 179.24 174.91 1wj6 n ILE 41 N -2.96 1.46 -0.35 0.35 2.08 0.12 -3.12 119.36 116.94 1wj6 n ILE 41 Ca 0.02 0.12 -0.03 0.00 0.56 0.00 0.00 62.75 63.43 1wj6 n ILE 41 Cb 0.40 -2.26 0.02 0.00 -0.75 0.00 0.00 39.64 37.05 1wj6 n ILE 41 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1wj6 h GLU 42 N -1.00 -0.04 0.40 0.38 4.81 0.51 0.19 114.58 119.84 1wj6 h GLU 42 Ca -0.13 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1wj6 h GLU 42 Cb 0.81 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1wj6 h GLU 42 CO -0.08 -0.02 -0.19 0.00 -0.73 0.00 0.00 179.01 177.98 1wj6 h ALA 43 N 1.23 -0.54 -0.84 2.92 0.00 -1.72 -1.48 119.26 118.83 1wj6 h ALA 43 Ca 0.31 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.25 1wj6 h ALA 43 Cb 0.58 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.43 1wj6 h ALA 43 CO -0.92 -0.80 -0.25 -0.12 0.00 0.00 0.00 179.25 177.15 1wj6 n MET 44 N -5.32 -0.12 -0.09 0.00 0.00 0.54 0.17 117.12 112.29 1wj6 n MET 44 Ca -0.11 1.30 -0.11 0.00 0.00 0.00 0.00 57.70 58.79 1wj6 n MET 44 Cb 0.23 -1.94 -0.03 0.00 0.00 0.00 0.00 33.22 31.48 1wj6 n MET 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1wj6 h VAL 45 N 0.00 1.24 0.00 1.12 2.07 -0.90 0.13 116.25 119.91 1wj6 h VAL 45 Ca 0.36 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1wj6 h VAL 45 Cb 0.57 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1wj6 h VAL 45 CO -0.85 0.27 -0.00 0.11 0.02 0.00 0.00 177.57 177.11 1wj6 h LYS 46 N 0.28 -0.00 -0.62 1.57 1.57 0.27 0.11 116.57 119.75 1wj6 h LYS 46 Ca 0.08 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.99 1wj6 h LYS 46 Cb 0.36 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.57 1wj6 h LYS 46 CO 0.01 -0.00 0.03 -0.39 -0.57 0.00 0.00 179.45 178.53 1wj6 h VAL 47 N -0.00 0.52 -1.12 0.50 -1.51 -0.47 1.88 116.25 116.04 1wj6 h VAL 47 Ca -0.00 -0.05 0.32 0.00 -1.23 0.00 0.00 66.70 65.74 1wj6 h VAL 47 Cb 0.00 0.36 -0.10 0.00 -2.13 0.00 0.00 31.29 29.42 1wj6 h VAL 47 CO -0.00 0.03 0.72 0.28 -1.23 0.00 0.00 177.57 177.36 1wj6 h SER 48 N 0.15 0.38 -0.08 4.19 0.02 -0.19 0.56 113.55 118.58 1wj6 h SER 48 Ca 0.33 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1wj6 h SER 48 Cb 0.52 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1wj6 h SER 48 CO -0.51 0.00 -0.01 0.49 -1.14 0.00 0.00 176.83 175.67 1wj6 n PHE 49 N -4.65 0.27 -3.34 3.45 3.72 0.17 -5.03 117.46 112.06 1wj6 n PHE 49 Ca 0.29 -0.98 -0.27 0.00 -0.05 0.00 0.00 57.45 56.44 1wj6 n PHE 49 Cb 1.04 -0.20 0.03 0.00 -0.94 0.00 0.00 39.48 39.41 1wj6 n PHE 49 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1wj6 n ASP 50 N -1.17 -6.10 -3.89 4.37 9.92 0.59 -4.99 116.55 115.27 1wj6 n ASP 50 Ca 0.18 0.09 -0.11 0.00 -0.53 0.00 0.00 54.79 54.42 1wj6 n ASP 50 Cb 0.71 -2.27 -0.12 0.00 -0.64 0.00 0.00 41.12 38.81 1wj6 n ASP 50 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wj6 s LEU 51 N -2.20 1.83 -0.15 0.64 1.43 -0.38 -4.93 118.68 114.92 1wj6 s LEU 51 Ca 0.29 -0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 52.96 1wj6 s LEU 51 Cb -0.04 0.34 -0.25 0.00 0.03 0.00 0.00 46.19 46.27 1wj6 s LEU 51 CO 0.71 -0.22 0.70 0.78 0.23 0.00 0.00 176.35 178.56 1wj6 h ASN 52 N 5.07 0.00 -3.66 2.29 4.21 -1.94 -3.38 115.58 118.17 1wj6 h ASN 52 Ca -0.29 -0.93 -0.25 0.00 1.21 0.00 0.00 56.30 56.04 1wj6 h ASN 52 Cb 1.20 0.00 -0.30 0.00 -1.12 0.00 0.00 38.32 38.10 1wj6 h ASN 52 CO 0.43 1.03 -0.72 -0.89 -1.29 0.00 0.00 177.43 176.00 1wj6 s THR 53 N -2.22 -0.02 0.15 2.81 2.01 -1.26 -5.00 115.64 112.12 1wj6 s THR 53 Ca -0.19 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1wj6 s THR 53 Cb -0.02 -0.04 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 1wj6 s THR 53 CO 0.66 0.03 0.06 0.27 -0.69 0.00 0.00 174.62 174.96 1wj6 s ILE 54 N 0.39 0.19 -0.47 1.82 -4.36 -1.26 -1.99 121.20 115.51 1wj6 s ILE 54 Ca -0.03 -1.94 0.08 0.00 -0.26 0.00 0.00 60.65 58.50 1wj6 s ILE 54 Cb -0.05 -2.15 0.31 0.00 1.25 0.00 0.00 42.46 41.82 1wj6 s ILE 54 CO -0.01 -0.37 0.74 1.67 0.24 0.00 0.00 174.94 177.20 1wj6 n GLN 55 N -0.16 1.71 -1.06 0.37 -0.06 0.14 -4.65 117.38 113.67 1wj6 n GLN 55 Ca -0.04 -3.91 -0.36 0.00 -2.00 0.00 0.00 57.00 50.69 1wj6 n GLN 55 Cb 0.64 -1.81 0.03 0.00 -4.06 0.00 0.00 30.24 25.04 1wj6 n GLN 55 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1wj6 n ILE 56 N 0.51 0.00 -3.66 1.69 5.41 -1.26 -3.82 119.36 118.23 1wj6 n ILE 56 Ca 0.26 -0.48 -0.07 0.00 1.00 0.00 0.00 62.75 63.45 1wj6 n ILE 56 Cb 0.52 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.37 1wj6 n ILE 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1wj6 s LYS 57 N -1.59 0.37 0.01 0.38 1.02 0.98 -3.82 119.74 117.09 1wj6 s LYS 57 Ca 0.45 1.09 0.03 0.00 0.02 0.00 0.00 55.97 57.55 1wj6 s LYS 57 Cb -0.29 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 1wj6 s LYS 57 CO 0.74 -0.24 -0.04 1.52 -0.92 0.00 0.00 175.35 176.42 1wj6 s TYR 58 N 2.56 2.94 -0.11 3.18 -0.85 0.35 0.21 117.35 125.63 1wj6 s TYR 58 Ca -0.03 -0.01 -0.28 0.00 -0.52 0.00 0.00 57.07 56.24 1wj6 s TYR 58 Cb -0.12 -1.61 -0.02 0.00 0.38 0.00 0.00 41.96 40.59 1wj6 s TYR 58 CO -0.14 0.41 0.92 -0.51 -1.52 0.00 0.00 175.55 174.72 1wj6 s LEU 59 N -1.57 4.24 0.00 -3.49 1.43 -0.71 0.94 118.68 119.52 1wj6 s LEU 59 Ca 0.19 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1wj6 s LEU 59 Cb -0.11 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1wj6 s LEU 59 CO 0.09 -0.39 0.00 -0.67 0.23 0.00 0.00 176.35 175.62 1wj6 n ASP 60 N 4.88 0.00 -0.58 2.29 -0.08 -1.00 -4.73 116.55 117.33 1wj6 n ASP 60 Ca 0.06 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.37 1wj6 n ASP 60 Cb 0.49 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.05 1wj6 n ASP 60 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wj6 n GLU 61 N 0.00 1.71 0.00 -0.67 1.02 -1.26 -2.98 120.64 118.46 1wj6 n GLU 61 Ca 0.00 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.35 1wj6 n GLU 61 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1wj6 n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wj6 n GLU 62 N 0.13 -0.42 -1.76 3.49 -0.58 -1.26 -4.98 120.64 115.26 1wj6 n GLU 62 Ca 0.07 -0.39 -0.09 0.00 -0.42 0.00 0.00 57.16 56.33 1wj6 n GLU 62 Cb 0.30 -0.89 -0.02 0.00 -0.57 0.00 0.00 31.44 30.27 1wj6 n GLU 62 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1wj6 n ASN 63 N -0.05 -3.50 -4.49 1.62 5.15 -1.16 -5.00 115.26 107.82 1wj6 n ASN 63 Ca 0.00 0.09 -0.34 0.00 -0.60 0.00 0.00 54.58 53.73 1wj6 n ASN 63 Cb 0.04 -2.33 -0.12 0.00 -0.53 0.00 0.00 39.78 36.83 1wj6 n ASN 63 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1wj6 s GLU 64 N -3.67 3.66 0.15 1.20 2.02 -1.26 -4.86 118.70 115.94 1wj6 s GLU 64 Ca 0.00 -0.52 -0.32 0.00 0.02 0.00 0.00 54.97 54.15 1wj6 s GLU 64 Cb 0.00 -2.95 -0.12 0.00 0.10 0.00 0.00 34.13 31.16 1wj6 s GLU 64 CO 0.00 0.20 1.73 0.39 0.02 0.00 0.00 175.26 177.60 1wj6 n GLU 65 N 3.67 2.60 -4.27 1.61 1.02 -1.26 -2.38 120.64 121.63 1wj6 n GLU 65 Ca -0.17 0.94 -0.33 0.00 -0.02 0.00 0.00 57.16 57.58 1wj6 n GLU 65 Cb 0.52 -2.78 -0.16 0.00 -0.02 0.00 0.00 31.44 29.00 1wj6 n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wj6 s VAL 66 N 1.75 2.04 -0.06 2.62 1.01 0.27 -4.87 120.40 123.16 1wj6 s VAL 66 Ca 0.79 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 1wj6 s VAL 66 Cb -0.55 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1wj6 s VAL 66 CO 0.36 0.54 0.64 -0.94 0.00 0.00 0.00 175.10 175.70 1wj6 s SER 67 N 1.17 6.94 -0.21 3.32 1.04 -1.26 -0.49 113.70 124.20 1wj6 s SER 67 Ca 0.02 1.12 -0.08 0.00 0.48 0.00 0.00 55.95 57.49 1wj6 s SER 67 Cb -0.14 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1wj6 s SER 67 CO -0.10 -0.04 0.08 -0.63 0.98 0.00 0.00 173.24 173.53 1wj6 s ILE 68 N 0.52 4.77 -0.04 -1.02 1.01 -1.25 -4.93 121.20 120.26 1wj6 s ILE 68 Ca 0.34 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.97 1wj6 s ILE 68 Cb -0.17 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1wj6 s ILE 68 CO 0.17 0.40 -0.03 0.59 0.00 0.00 0.00 174.94 176.07 1wj6 n ASN 69 N 4.04 3.75 -4.76 3.58 3.02 -1.26 -4.80 115.26 118.84 1wj6 n ASN 69 Ca -0.16 -0.02 -0.28 0.00 -0.03 0.00 0.00 54.58 54.09 1wj6 n ASN 69 Cb 0.52 0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.64 1wj6 n ASN 69 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wj6 s SER 70 N -4.27 4.28 0.11 6.41 0.15 -1.26 -4.89 113.70 114.22 1wj6 s SER 70 Ca -0.05 -1.33 -0.18 0.00 0.70 0.00 0.00 55.95 55.08 1wj6 s SER 70 Cb 0.01 -0.00 -0.06 0.00 -1.71 0.00 0.00 66.02 64.26 1wj6 s SER 70 CO 0.10 -0.72 1.64 -0.61 1.20 0.00 0.00 173.24 174.84 1wj6 h GLN 71 N 1.34 0.42 -0.83 5.44 5.75 -1.97 -2.79 115.11 122.46 1wj6 h GLN 71 Ca -0.42 -0.08 0.20 0.00 -0.15 0.00 0.00 58.65 58.20 1wj6 h GLN 71 Cb 1.28 -0.06 -0.13 0.00 1.07 0.00 0.00 27.48 29.63 1wj6 h GLN 71 CO 0.71 0.46 0.21 0.78 -2.65 0.00 0.00 178.83 178.33 1wj6 h GLY 72 N 0.29 1.22 1.35 2.39 0.00 -1.99 1.18 103.07 107.52 1wj6 h GLY 72 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1wj6 h GLY 72 CO -0.01 -0.30 0.19 0.83 0.00 0.00 0.00 176.54 177.25 1wj6 h GLU 73 N 0.23 0.82 -0.01 4.80 5.08 -1.90 -2.89 114.58 120.72 1wj6 h GLU 73 Ca 0.50 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1wj6 h GLU 73 Cb 0.95 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1wj6 h GLU 73 CO -0.61 0.70 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.13 1wj6 h TYR 74 N 0.81 0.07 -0.39 4.33 3.20 0.53 -3.13 116.97 122.38 1wj6 h TYR 74 Ca 0.19 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1wj6 h TYR 74 Cb 0.22 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 1wj6 h TYR 74 CO 0.01 0.77 -0.24 0.93 -1.64 0.00 0.00 178.16 177.99 1wj6 h GLU 75 N -0.65 -0.02 -0.61 1.82 5.08 0.12 0.67 114.58 120.99 1wj6 h GLU 75 Ca -0.01 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.47 1wj6 h GLU 75 Cb 0.78 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.92 1wj6 h GLU 75 CO 0.01 -0.01 -0.22 1.05 -1.00 0.00 0.00 179.01 178.84 1wj6 h GLU 76 N -0.02 -0.07 -0.90 2.33 4.11 -1.65 0.60 114.58 118.98 1wj6 h GLU 76 Ca 0.06 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.64 1wj6 h GLU 76 Cb 0.18 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 1wj6 h GLU 76 CO -0.37 -0.04 0.51 0.00 0.07 0.00 0.00 179.01 179.17 1wj6 h ALA 77 N 1.39 1.39 -0.18 1.06 0.00 -0.69 0.63 119.26 122.87 1wj6 h ALA 77 Ca 0.28 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1wj6 h ALA 77 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1wj6 h ALA 77 CO -0.66 -0.01 -0.20 -0.07 0.00 0.00 0.00 179.25 178.30 1wj6 h LEU 78 N 0.73 0.30 -0.32 0.00 3.38 0.54 -0.09 115.31 119.84 1wj6 h LEU 78 Ca 0.49 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.23 1wj6 h LEU 78 Cb 0.65 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1wj6 h LEU 78 CO -0.34 0.52 -0.37 0.11 0.09 0.00 0.00 178.44 178.45 1wj6 h LYS 79 N 0.28 0.81 -0.26 1.13 1.57 0.32 -3.16 116.57 117.26 1wj6 h LYS 79 Ca 0.05 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1wj6 h LYS 79 Cb 0.52 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1wj6 h LYS 79 CO 0.04 1.08 0.05 1.98 -0.57 0.00 0.00 179.45 182.03 1wj6 h MET 80 N 0.58 0.43 -1.13 3.15 4.05 0.10 -2.59 114.93 119.52 1wj6 h MET 80 Ca 0.04 -0.11 0.33 0.00 -0.28 0.00 0.00 59.70 59.68 1wj6 h MET 80 Cb 0.96 -0.05 -0.11 0.00 -0.80 0.00 0.00 31.60 31.59 1wj6 h MET 80 CO 0.09 0.54 0.72 0.00 0.23 0.00 0.00 176.91 178.49 1wj6 h ALA 81 N 0.87 2.36 -0.68 0.39 0.00 -1.01 1.35 119.26 122.54 1wj6 h ALA 81 Ca 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1wj6 h ALA 81 Cb 0.32 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1wj6 h ALA 81 CO 0.00 -0.87 0.40 0.28 0.00 0.00 0.00 179.25 179.06 1wj6 h VAL 82 N 0.28 1.20 -0.13 0.00 2.07 -1.43 0.44 116.25 118.69 1wj6 h VAL 82 Ca 0.69 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.77 1wj6 h VAL 82 Cb 1.89 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1wj6 h VAL 82 CO -0.39 0.21 0.06 0.11 0.02 0.00 0.00 177.57 177.58 1wj6 h LYS 83 N 0.92 0.12 0.70 1.57 1.57 0.18 -3.06 116.57 118.57 1wj6 h LYS 83 Ca 0.24 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1wj6 h LYS 83 Cb -0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1wj6 h LYS 83 CO -0.04 0.08 -0.49 1.96 -0.57 0.00 0.00 179.45 180.38 1wj6 h GLN 84 N 0.13 -1.09 0.00 3.15 4.20 -0.83 -3.45 115.11 117.20 1wj6 h GLN 84 Ca 0.05 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1wj6 h GLN 84 Cb 0.01 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1wj6 h GLN 84 CO -0.04 -0.73 0.00 0.41 -0.67 0.00 0.00 178.83 177.80 1wj6 n GLY 85 N -1.60 0.00 2.51 3.46 0.00 0.14 -4.92 105.19 104.78 1wj6 n GLY 85 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 1wj6 n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wj6 n ASN 86 N 0.00 -4.53 -3.80 1.61 4.13 0.13 -4.89 115.26 107.92 1wj6 n ASN 86 Ca 0.00 -0.15 -0.11 0.00 1.68 0.00 0.00 54.58 56.00 1wj6 n ASN 86 Cb 0.00 -3.46 -0.08 0.00 -1.54 0.00 0.00 39.78 34.70 1wj6 n ASN 86 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wj6 s GLN 87 N -5.17 0.75 -0.04 3.52 1.03 -0.85 0.20 119.66 119.11 1wj6 s GLN 87 Ca 0.16 -0.56 -0.02 0.00 0.04 0.00 0.00 55.36 54.98 1wj6 s GLN 87 Cb -0.07 0.32 0.03 0.00 0.03 0.00 0.00 33.01 33.31 1wj6 s GLN 87 CO 0.19 -0.23 0.08 -1.17 -2.54 0.00 0.00 175.29 171.63 1wj6 s LEU 88 N -2.05 1.14 -0.62 2.60 2.96 0.41 -4.16 118.68 118.97 1wj6 s LEU 88 Ca -0.05 0.16 -0.22 0.00 -0.22 0.00 0.00 54.13 53.80 1wj6 s LEU 88 Cb -0.01 0.17 0.07 0.00 0.50 0.00 0.00 46.19 46.92 1wj6 s LEU 88 CO -0.03 -0.11 0.88 -1.10 -1.32 0.00 0.00 176.35 174.68 1wj6 s GLN 89 N 0.81 3.13 0.07 1.98 1.11 -1.26 -0.00 119.66 125.49 1wj6 s GLN 89 Ca -0.06 -0.83 0.03 0.00 0.01 0.00 0.00 55.36 54.51 1wj6 s GLN 89 Cb -0.09 -4.19 -0.04 0.00 -1.01 0.00 0.00 33.01 27.68 1wj6 s GLN 89 CO -0.03 -1.66 0.05 -1.64 0.01 0.00 0.00 175.29 172.01 1wj6 s MET 90 N 3.68 2.79 -0.11 2.91 -1.94 0.50 -1.73 119.30 125.40 1wj6 s MET 90 Ca 0.21 -0.70 -0.00 0.00 -1.71 0.00 0.00 55.69 53.48 1wj6 s MET 90 Cb -0.18 -2.68 0.02 0.00 2.01 0.00 0.00 34.83 34.01 1wj6 s MET 90 CO 0.11 0.57 -0.08 -0.65 -0.01 0.00 0.00 175.02 174.96 1wj6 s GLN 91 N -2.21 1.58 0.33 2.03 -0.21 0.55 -0.38 119.66 121.36 1wj6 s GLN 91 Ca 0.27 -0.28 -0.28 0.00 0.02 0.00 0.00 55.36 55.08 1wj6 s GLN 91 Cb -0.12 -1.61 -0.09 0.00 1.00 0.00 0.00 33.01 32.19 1wj6 s GLN 91 CO 0.19 -0.25 1.16 0.08 -2.12 0.00 0.00 175.29 174.35 1wj6 s VAL 92 N 1.64 3.25 -0.33 1.09 1.01 -1.10 -0.02 120.40 125.94 1wj6 s VAL 92 Ca 0.04 1.19 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 1wj6 s VAL 92 Cb -0.13 -3.73 0.13 0.00 0.00 0.00 0.00 36.38 32.66 1wj6 s VAL 92 CO -0.08 0.23 0.25 -1.00 0.00 0.00 0.00 175.10 174.50 1wj6 s HIS 93 N -1.24 0.17 0.09 5.22 3.76 -1.25 -4.44 115.29 117.59 1wj6 s HIS 93 Ca 0.49 -1.01 -0.35 0.00 -0.15 0.00 0.00 55.06 54.04 1wj6 s HIS 93 Cb -0.33 -0.70 -0.18 0.00 1.11 0.00 0.00 32.58 32.48 1wj6 s HIS 93 CO 0.42 -0.88 0.90 -1.91 -0.85 0.00 0.00 174.74 172.42 1wj6 n GLU 94 N 4.58 0.16 0.00 1.40 0.00 -1.26 0.26 120.64 125.78 1wj6 n GLU 94 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.27 1wj6 n GLU 94 Cb 0.42 -1.39 0.00 0.00 0.00 0.00 0.00 31.44 30.47 1wj6 n GLU 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wj6 n GLY 95 N 1.75 1.32 3.36 8.31 0.00 -0.84 -4.70 105.19 114.38 1wj6 n GLY 95 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 1wj6 n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wj6 s SER 96 N 0.24 -0.39 -0.61 1.61 1.04 -1.26 -4.95 113.70 109.39 1wj6 s SER 96 Ca 0.00 0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.82 1wj6 s SER 96 Cb 0.00 0.41 0.21 0.00 0.10 0.00 0.00 66.02 66.74 1wj6 s SER 96 CO 0.00 -0.53 0.59 0.61 0.98 0.00 0.00 173.24 174.89 1wj6 n GLY 97 N 1.07 3.99 0.19 7.32 0.00 -1.26 -4.81 105.19 111.71 1wj6 n GLY 97 Ca -0.20 -2.40 -0.17 0.00 0.00 0.00 0.00 46.02 43.25 1wj6 n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj6 h PRO 98 N 4.74 0.65 -5.36 1.61 0.13 -2.02 -3.49 132.00 128.25 1wj6 h PRO 98 Ca 0.17 -0.63 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1wj6 h PRO 98 Cb 0.75 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1wj6 h PRO 98 CO 0.70 1.24 -0.93 0.43 -0.23 0.00 0.00 178.00 179.21 1wj6 n SER 99 N -3.85 -7.79 -0.97 1.44 7.64 -1.26 -4.83 113.62 104.00 1wj6 n SER 99 Ca -0.09 1.13 0.11 0.00 1.01 0.00 0.00 58.87 61.03 1wj6 n SER 99 Cb 0.82 -4.79 -0.06 0.00 -1.01 0.00 0.00 64.21 59.17 1wj6 n SER 99 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wj6 n SER 100 N 0.59 -5.25 0.00 6.43 2.88 -1.26 -5.34 113.62 111.67 1wj6 n SER 100 Ca 0.02 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1wj6 n SER 100 Cb 0.16 -3.31 0.00 0.00 -0.75 0.00 0.00 64.21 60.31 1wj6 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42