#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj6 n SER 2 N 0.00 0.00 -2.61 1.61 2.88 -1.26 -5.10 113.62 109.14 1wj6 n SER 2 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1wj6 n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1wj6 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wj6 n SER 3 N 0.00 -4.72 0.00 -3.46 7.64 -1.26 -4.74 113.62 107.09 1wj6 n SER 3 Ca 0.00 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.22 1wj6 n SER 3 Cb 0.00 -5.11 0.00 0.00 -1.01 0.00 0.00 64.21 58.09 1wj6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wj6 n GLY 4 N 1.06 3.02 3.16 0.23 0.00 -1.26 -4.79 105.19 106.61 1wj6 n GLY 4 Ca -0.17 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.56 1wj6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj6 s SER 5 N -4.00 -0.11 -0.30 1.61 0.01 -1.26 -5.13 113.70 104.52 1wj6 s SER 5 Ca 0.00 0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.38 1wj6 s SER 5 Cb 0.00 1.10 0.08 0.00 0.21 0.00 0.00 66.02 67.41 1wj6 s SER 5 CO 0.00 -0.02 -0.00 -0.55 0.41 0.00 0.00 173.24 173.08 1wj6 s SER 6 N 2.72 4.42 0.20 2.44 0.15 -1.26 -5.08 113.70 117.30 1wj6 s SER 6 Ca -0.06 -1.72 -0.22 0.00 0.70 0.00 0.00 55.95 54.65 1wj6 s SER 6 Cb -0.06 -1.42 0.07 0.00 -1.71 0.00 0.00 66.02 62.90 1wj6 s SER 6 CO -0.10 -0.31 1.02 -0.83 1.20 0.00 0.00 173.24 174.21 1wj6 s GLY 7 N 1.14 0.14 1.06 9.45 0.00 -1.26 -5.18 107.32 112.67 1wj6 s GLY 7 Ca 0.03 -0.38 -0.17 0.00 0.00 0.00 0.00 44.72 44.20 1wj6 s GLY 7 CO -0.09 2.20 1.21 2.56 0.00 0.00 0.00 173.10 178.98 1wj6 s PRO 8 N -2.18 -0.14 -0.37 2.90 0.04 -1.26 -4.87 135.00 129.11 1wj6 s PRO 8 Ca 0.21 -0.19 -0.43 0.00 0.04 0.00 0.00 61.00 60.64 1wj6 s PRO 8 Cb -0.03 -1.73 -0.17 0.00 0.04 0.00 0.00 34.50 32.60 1wj6 s PRO 8 CO 0.06 -2.97 1.70 1.58 0.04 0.00 0.00 177.00 177.40 1wj6 n HIS 9 N -4.21 1.94 -3.79 0.56 -0.00 -1.26 -4.89 115.22 103.56 1wj6 n HIS 9 Ca 0.13 0.77 -0.08 0.00 -0.00 0.00 0.00 57.72 58.55 1wj6 n HIS 9 Cb 0.59 -2.37 -0.02 0.00 -0.00 0.00 0.00 29.99 28.19 1wj6 n HIS 9 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1wj6 s SER 10 N 3.40 -0.31 0.04 0.26 0.01 -1.26 -5.11 113.70 110.74 1wj6 s SER 10 Ca 1.01 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1wj6 s SER 10 Cb -1.24 0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.70 1wj6 s SER 10 CO 0.72 -1.29 0.00 0.23 0.41 0.00 0.00 173.24 173.31 1wj6 n MET 11 N -0.45 -4.38 -3.34 12.44 2.81 -1.26 -5.03 117.12 117.91 1wj6 n MET 11 Ca -0.06 3.25 -0.20 0.00 -1.81 0.00 0.00 57.70 58.88 1wj6 n MET 11 Cb 0.60 -3.93 0.00 0.00 -0.71 0.00 0.00 33.22 29.17 1wj6 n MET 11 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1wj6 s GLU 12 N -0.89 3.12 -0.02 0.03 2.02 -1.26 -5.04 118.70 116.65 1wj6 s GLU 12 Ca 0.00 -0.83 -0.22 0.00 0.02 0.00 0.00 54.97 53.94 1wj6 s GLU 12 Cb 0.00 -2.74 -0.22 0.00 0.10 0.00 0.00 34.13 31.27 1wj6 s GLU 12 CO 0.00 -0.03 1.09 -1.00 0.02 0.00 0.00 175.26 175.34 1wj6 h PRO 13 N 0.74 0.28 -4.18 0.39 0.13 -1.88 -3.44 132.00 124.04 1wj6 h PRO 13 Ca -0.46 -0.27 -0.42 0.00 -0.87 0.00 0.00 66.00 63.97 1wj6 h PRO 13 Cb 1.25 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 1wj6 h PRO 13 CO 0.55 0.96 1.44 1.04 -0.23 0.00 0.00 178.00 181.76 1wj6 n GLN 14 N -4.41 0.00 -4.10 0.86 6.02 -1.14 -4.68 117.38 109.92 1wj6 n GLN 14 Ca -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.57 1wj6 n GLN 14 Cb 0.54 -1.24 -0.07 0.00 1.02 0.00 0.00 30.24 30.49 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 7.36 4.72 -0.42 5.09 1.01 -0.61 -4.80 120.40 132.74 1wj6 s VAL 15 Ca 1.12 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 1wj6 s VAL 15 Cb -1.05 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1wj6 s VAL 15 CO 0.41 0.34 0.41 -0.89 0.00 0.00 0.00 175.10 175.38 1wj6 s THR 16 N -1.20 5.13 -0.60 3.92 2.01 0.53 -0.92 115.64 124.51 1wj6 s THR 16 Ca 0.23 -0.45 -0.19 0.00 0.31 0.00 0.00 61.69 61.59 1wj6 s THR 16 Cb -0.12 -4.03 0.11 0.00 0.01 0.00 0.00 72.50 68.47 1wj6 s THR 16 CO 0.14 -0.42 0.70 -0.76 -0.69 0.00 0.00 174.62 173.60 1wj6 s LEU 17 N 2.03 5.45 -0.60 4.42 1.43 -0.55 0.11 118.68 130.97 1wj6 s LEU 17 Ca 0.10 -1.49 -0.24 0.00 -1.03 0.00 0.00 54.13 51.47 1wj6 s LEU 17 Cb -0.18 -2.30 0.05 0.00 0.03 0.00 0.00 46.19 43.79 1wj6 s LEU 17 CO 0.12 -1.09 0.99 0.20 0.23 0.00 0.00 176.35 176.81 1wj6 s ASN 18 N 3.60 6.28 -0.26 2.29 0.01 0.99 -0.91 114.94 126.94 1wj6 s ASN 18 Ca 0.12 -0.51 -0.12 0.00 -0.71 0.00 0.00 52.86 51.63 1wj6 s ASN 18 Cb -0.24 -2.45 -0.05 0.00 0.41 0.00 0.00 41.25 38.93 1wj6 s ASN 18 CO 0.05 -1.36 0.26 -0.69 -1.51 0.00 0.00 177.10 173.85 1wj6 s VAL 19 N 4.21 5.27 -0.46 1.60 1.01 0.86 0.18 120.40 133.06 1wj6 s VAL 19 Ca 0.29 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 1wj6 s VAL 19 Cb -0.13 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.78 1wj6 s VAL 19 CO 0.17 0.24 0.26 -0.89 0.00 0.00 0.00 175.10 174.88 1wj6 s THR 20 N 1.65 3.33 -0.56 3.92 2.01 0.84 0.72 115.64 127.55 1wj6 s THR 20 Ca 0.11 -2.34 -0.19 0.00 0.31 0.00 0.00 61.69 59.57 1wj6 s THR 20 Cb -0.15 -3.26 0.08 0.00 0.01 0.00 0.00 72.50 69.18 1wj6 s THR 20 CO 0.09 -0.74 0.70 0.12 -0.69 0.00 0.00 174.62 174.10 1wj6 s PHE 21 N 0.78 2.99 0.00 4.92 5.36 0.30 -2.76 117.98 129.56 1wj6 s PHE 21 Ca 0.11 -0.75 0.00 0.00 -0.96 0.00 0.00 56.93 55.33 1wj6 s PHE 21 Cb -0.22 -3.85 0.00 0.00 -0.34 0.00 0.00 43.02 38.61 1wj6 s PHE 21 CO -0.04 -1.22 0.00 1.63 -1.46 0.00 0.00 175.22 174.13 1wj6 n LYS 22 N 6.39 0.00 0.00 10.12 5.02 -1.26 0.48 118.16 138.91 1wj6 n LYS 22 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 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 4.72 0.70 -4.82 4.39 5.15 -1.26 -5.02 115.26 119.11 1wj6 n ASN 23 Ca 0.00 -0.86 -0.38 0.00 -0.60 0.00 0.00 54.58 52.74 1wj6 n ASN 23 Cb 0.00 0.26 -0.06 0.00 -0.53 0.00 0.00 39.78 39.45 1wj6 n ASN 23 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1wj6 s GLU 24 N -0.26 4.04 -0.05 1.20 2.02 0.18 -5.08 118.70 120.75 1wj6 s GLU 24 Ca 0.00 0.53 0.05 0.00 0.02 0.00 0.00 54.97 55.57 1wj6 s GLU 24 Cb 0.00 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 30.98 1wj6 s GLU 24 CO 0.00 0.64 -0.20 0.42 0.02 0.00 0.00 175.26 176.14 1wj6 s ILE 25 N -0.99 1.68 0.14 -1.63 1.01 -1.26 0.11 121.20 120.26 1wj6 s ILE 25 Ca 0.26 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 1wj6 s ILE 25 Cb -0.18 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1wj6 s ILE 25 CO 0.15 0.48 0.05 -1.10 0.00 0.00 0.00 174.94 174.52 1wj6 s GLN 26 N -0.10 0.95 -0.04 2.79 -0.21 0.22 -4.98 119.66 118.30 1wj6 s GLN 26 Ca -0.02 -1.45 -0.01 0.00 0.02 0.00 0.00 55.36 53.89 1wj6 s GLN 26 Cb -0.12 0.20 0.03 0.00 1.00 0.00 0.00 33.01 34.13 1wj6 s GLN 26 CO 0.02 -0.25 0.06 0.45 -2.12 0.00 0.00 175.29 173.45 1wj6 s SER 27 N -3.06 0.37 -0.22 5.90 0.15 -1.25 -0.10 113.70 115.48 1wj6 s SER 27 Ca 0.25 0.11 0.02 0.00 0.70 0.00 0.00 55.95 57.02 1wj6 s SER 27 Cb 0.07 -0.03 0.05 0.00 -1.71 0.00 0.00 66.02 64.40 1wj6 s SER 27 CO 0.02 -0.17 -0.11 -0.36 1.20 0.00 0.00 173.24 173.82 1wj6 s PHE 28 N 1.46 2.76 0.18 3.44 0.08 -0.09 -4.90 117.98 120.91 1wj6 s PHE 28 Ca -0.05 -1.89 -0.30 0.00 0.12 0.00 0.00 56.93 54.82 1wj6 s PHE 28 Cb -0.12 -1.76 -0.08 0.00 -0.57 0.00 0.00 43.02 40.49 1wj6 s PHE 28 CO -0.04 -0.80 1.02 -1.17 -0.10 0.00 0.00 175.22 174.13 1wj6 s LEU 29 N 1.28 4.54 -0.40 -0.37 2.96 -1.26 -1.48 118.68 123.95 1wj6 s LEU 29 Ca -0.04 1.99 0.02 0.00 -0.22 0.00 0.00 54.13 55.89 1wj6 s LEU 29 Cb -0.18 -3.60 0.12 0.00 0.50 0.00 0.00 46.19 43.03 1wj6 s LEU 29 CO -0.07 -0.08 0.16 -0.69 -1.32 0.00 0.00 176.35 174.34 1wj6 s VAL 30 N -0.49 1.78 -0.69 1.68 1.01 -0.10 -4.89 120.40 118.70 1wj6 s VAL 30 Ca 0.46 -2.39 0.20 0.00 0.00 0.00 0.00 61.98 60.25 1wj6 s VAL 30 Cb -0.27 -2.28 0.20 0.00 0.00 0.00 0.00 36.38 34.03 1wj6 s VAL 30 CO 0.33 -0.74 1.63 -0.24 0.00 0.00 0.00 175.10 176.08 1wj6 n SER 31 N 3.95 0.41 -3.13 3.32 2.88 -1.26 -1.58 113.62 118.21 1wj6 n SER 31 Ca 0.04 0.60 -0.22 0.00 -1.33 0.00 0.00 58.87 57.96 1wj6 n SER 31 Cb 0.38 -0.69 -0.05 0.00 -0.75 0.00 0.00 64.21 63.10 1wj6 n SER 31 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wj6 n ASP 32 N -1.95 -0.30 0.00 -3.46 5.75 -1.26 -4.17 116.55 111.16 1wj6 n ASP 32 Ca 0.03 -2.77 0.11 0.00 -0.01 0.00 0.00 54.79 52.15 1wj6 n ASP 32 Cb 0.22 -0.28 0.49 0.00 -1.03 0.00 0.00 41.12 40.52 1wj6 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1wj6 n PRO 33 N 1.49 0.08 -0.09 0.11 -0.04 -1.24 -1.44 135.00 133.87 1wj6 n PRO 33 Ca 0.20 0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.54 1wj6 n PRO 33 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 1wj6 n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wj6 n GLU 34 N -1.45 0.60 0.18 0.54 1.02 -1.26 -4.51 120.64 115.77 1wj6 n GLU 34 Ca 0.07 0.48 -0.12 0.00 -0.02 0.00 0.00 57.16 57.56 1wj6 n GLU 34 Cb 0.24 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 29.88 1wj6 n GLU 34 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1wj6 h ASN 35 N -0.79 -0.42 -2.26 1.62 -1.24 -1.96 -3.45 115.58 107.08 1wj6 h ASN 35 Ca -0.41 -0.14 -0.50 0.00 0.71 0.00 0.00 56.30 55.96 1wj6 h ASN 35 Cb 1.48 0.11 0.24 0.00 0.73 0.00 0.00 38.32 40.87 1wj6 h ASN 35 CO -0.18 -0.01 -1.46 1.07 -1.29 0.00 0.00 177.43 175.56 1wj6 n THR 36 N -5.14 0.00 -4.48 -3.57 5.66 -0.52 -5.00 114.28 101.22 1wj6 n THR 36 Ca -0.09 -0.24 -0.29 0.00 -3.05 0.00 0.00 64.05 60.37 1wj6 n THR 36 Cb 0.28 -0.36 -0.13 0.00 -1.55 0.00 0.00 70.33 68.56 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 -2.18 2.23 0.35 1.09 -4.23 -1.26 -4.92 115.64 106.71 1wj6 s THR 37 Ca 0.49 -1.69 0.12 0.00 -1.18 0.00 0.00 61.69 59.43 1wj6 s THR 37 Cb -0.10 -1.96 0.34 0.00 1.34 0.00 0.00 72.50 72.11 1wj6 s THR 37 CO 0.70 0.14 1.78 -0.25 -0.54 0.00 0.00 174.62 176.44 1wj6 h TRP 38 N 4.05 0.86 -0.95 3.99 -0.00 -1.89 0.95 115.95 122.95 1wj6 h TRP 38 Ca -0.50 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.45 1wj6 h TRP 38 Cb 1.17 -0.26 -0.05 0.00 -0.00 0.00 0.00 29.16 30.02 1wj6 h TRP 38 CO 0.58 0.15 0.63 0.00 -0.00 0.00 0.00 178.44 179.80 1wj6 h ALA 39 N 1.64 1.37 0.00 2.65 0.00 -1.94 0.80 119.26 123.78 1wj6 h ALA 39 Ca 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1wj6 h ALA 39 Cb 1.15 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wj6 h ALA 39 CO -0.34 0.54 0.00 -0.44 0.00 0.00 0.00 179.25 179.02 1wj6 h ASP 40 N 1.22 0.00 0.00 0.00 5.19 0.53 -2.18 116.42 121.18 1wj6 h ASP 40 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 1wj6 h ASP 40 Cb -0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1wj6 h ASP 40 CO -0.11 0.00 -0.65 -0.38 -3.12 0.00 0.00 179.24 174.98 1wj6 n ILE 41 N -2.33 1.24 -0.34 0.35 2.08 0.12 -3.36 119.36 117.12 1wj6 n ILE 41 Ca 0.01 0.23 0.06 0.00 0.56 0.00 0.00 62.75 63.61 1wj6 n ILE 41 Cb 0.19 -2.24 0.14 0.00 -0.75 0.00 0.00 39.64 36.98 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 -0.85 0.00 0.29 0.38 4.81 0.38 0.40 114.58 119.99 1wj6 h GLU 42 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1wj6 h GLU 42 Cb 0.65 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1wj6 h GLU 42 CO 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 179.01 178.14 1wj6 h ALA 43 N 1.96 -0.39 -0.24 2.92 0.00 -1.61 -0.89 119.26 121.02 1wj6 h ALA 43 Ca 0.47 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1wj6 h ALA 43 Cb 0.73 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1wj6 h ALA 43 CO -0.99 -0.65 -0.14 -0.12 0.00 0.00 0.00 179.25 177.36 1wj6 n MET 44 N -5.20 -0.10 -0.30 0.00 0.00 0.13 0.84 117.12 112.49 1wj6 n MET 44 Ca -0.10 1.10 0.05 0.00 0.00 0.00 0.00 57.70 58.75 1wj6 n MET 44 Cb 0.21 -1.64 0.20 0.00 0.00 0.00 0.00 33.22 31.99 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 0.83 0.14 1.12 2.07 -1.23 0.94 116.25 120.12 1wj6 h VAL 45 Ca 0.04 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1wj6 h VAL 45 Cb 0.10 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1wj6 h VAL 45 CO -0.22 0.13 -0.50 0.11 0.02 0.00 0.00 177.57 177.11 1wj6 h LYS 46 N 0.72 -0.71 -0.84 1.57 1.57 0.13 0.26 116.57 119.27 1wj6 h LYS 46 Ca 0.43 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.23 1wj6 h LYS 46 Cb 0.50 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 1wj6 h LYS 46 CO -0.30 -0.47 0.42 -0.39 -0.57 0.00 0.00 179.45 178.14 1wj6 h VAL 47 N -0.74 1.26 -0.97 0.50 -1.51 0.12 1.20 116.25 116.11 1wj6 h VAL 47 Ca -0.01 -0.70 0.20 0.00 -1.23 0.00 0.00 66.70 64.96 1wj6 h VAL 47 Cb 0.73 0.17 -0.09 0.00 -2.13 0.00 0.00 31.29 29.97 1wj6 h VAL 47 CO -0.26 0.30 0.61 -1.28 -1.23 0.00 0.00 177.57 175.72 1wj6 h SER 48 N 1.19 0.61 -0.27 4.19 0.87 0.19 0.15 113.55 120.49 1wj6 h SER 48 Ca 0.29 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1wj6 h SER 48 Cb 0.10 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1wj6 h SER 48 CO -0.04 0.22 0.00 0.49 -0.53 0.00 0.00 176.83 176.98 1wj6 n PHE 49 N -4.64 0.53 -3.66 2.24 3.72 0.83 -5.00 117.46 111.49 1wj6 n PHE 49 Ca 0.22 -0.63 -0.21 0.00 -0.05 0.00 0.00 57.45 56.78 1wj6 n PHE 49 Cb 0.64 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1wj6 n PHE 49 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wj6 n ASP 50 N 0.03 -5.43 -4.08 4.37 2.03 0.36 -4.97 116.55 108.87 1wj6 n ASP 50 Ca 0.13 -0.81 -0.25 0.00 0.52 0.00 0.00 54.79 54.38 1wj6 n ASP 50 Cb 0.55 -2.48 -0.16 0.00 -0.72 0.00 0.00 41.12 38.31 1wj6 n ASP 50 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wj6 s LEU 51 N -4.97 1.80 0.05 -2.67 1.43 0.15 -4.97 118.68 109.50 1wj6 s LEU 51 Ca 0.05 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 1wj6 s LEU 51 Cb -0.02 -0.91 -0.17 0.00 0.03 0.00 0.00 46.19 45.12 1wj6 s LEU 51 CO 0.87 0.09 1.52 0.78 0.23 0.00 0.00 176.35 179.84 1wj6 h ASN 52 N 6.64 -0.51 -3.59 2.29 4.21 -1.93 -3.41 115.58 119.27 1wj6 h ASN 52 Ca -0.31 -0.04 -0.28 0.00 1.21 0.00 0.00 56.30 56.89 1wj6 h ASN 52 Cb 1.19 0.13 -0.32 0.00 -1.12 0.00 0.00 38.32 38.20 1wj6 h ASN 52 CO 0.48 -0.28 -0.73 0.42 -1.29 0.00 0.00 177.43 176.03 1wj6 s THR 53 N -5.63 -0.04 0.33 2.81 -4.23 -1.26 -5.07 115.64 102.56 1wj6 s THR 53 Ca -0.16 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.53 1wj6 s THR 53 Cb 0.03 -0.06 -0.04 0.00 1.34 0.00 0.00 72.50 73.77 1wj6 s THR 53 CO 0.60 0.06 0.12 0.27 -0.54 0.00 0.00 174.62 175.12 1wj6 s ILE 54 N 0.71 0.65 -0.38 2.99 -4.36 -1.26 0.41 121.20 119.96 1wj6 s ILE 54 Ca -0.06 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 58.44 1wj6 s ILE 54 Cb -0.08 -2.55 0.32 0.00 1.25 0.00 0.00 42.46 41.39 1wj6 s ILE 54 CO -0.02 0.00 0.67 1.67 0.24 0.00 0.00 174.94 177.50 1wj6 n GLN 55 N -0.69 0.89 -1.08 0.37 -0.06 0.43 -4.18 117.38 113.05 1wj6 n GLN 55 Ca -0.02 -3.33 -0.36 0.00 -2.00 0.00 0.00 57.00 51.29 1wj6 n GLN 55 Cb 0.66 -1.56 0.02 0.00 -4.06 0.00 0.00 30.24 25.30 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 0.62 0.00 -3.66 1.69 5.41 -1.26 -3.64 119.36 118.53 1wj6 n ILE 56 Ca 0.24 -0.48 -0.08 0.00 1.00 0.00 0.00 62.75 63.43 1wj6 n ILE 56 Cb 0.62 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.46 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 -1.44 0.36 -0.05 0.38 1.02 0.16 -3.80 119.74 116.37 1wj6 s LYS 57 Ca 0.47 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.52 1wj6 s LYS 57 Cb -0.33 0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 37.30 1wj6 s LYS 57 CO 0.72 -0.24 -0.02 1.52 -0.92 0.00 0.00 175.35 176.41 1wj6 s TYR 58 N 2.54 3.06 -0.07 3.18 -0.85 0.89 0.20 117.35 126.29 1wj6 s TYR 58 Ca -0.03 0.10 -0.30 0.00 -0.52 0.00 0.00 57.07 56.32 1wj6 s TYR 58 Cb -0.12 -1.72 -0.02 0.00 0.38 0.00 0.00 41.96 40.48 1wj6 s TYR 58 CO -0.13 0.43 1.10 -0.51 -1.52 0.00 0.00 175.55 174.91 1wj6 s LEU 59 N -1.13 4.27 0.00 -3.49 1.43 -0.78 0.21 118.68 119.19 1wj6 s LEU 59 Ca 0.15 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1wj6 s LEU 59 Cb -0.11 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1wj6 s LEU 59 CO 0.05 -0.50 0.00 -0.67 0.23 0.00 0.00 176.35 175.46 1wj6 n ASP 60 N 5.01 0.00 -0.76 2.29 -0.08 -0.62 -4.76 116.55 117.63 1wj6 n ASP 60 Ca 0.10 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.41 1wj6 n ASP 60 Cb 0.48 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.07 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 2.03 0.00 -0.67 1.02 -1.26 -3.12 120.64 118.64 1wj6 n GLU 61 Ca 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.08 1wj6 n GLU 61 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 0.25 0.25 -1.71 3.49 1.02 -1.26 -4.98 120.64 117.71 1wj6 n GLU 62 Ca 0.10 -0.63 -0.09 0.00 -0.02 0.00 0.00 57.16 56.52 1wj6 n GLU 62 Cb 0.42 -0.84 -0.02 0.00 -0.02 0.00 0.00 31.44 30.98 1wj6 n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wj6 n ASN 63 N -0.12 -3.60 -4.51 1.62 3.02 -1.18 -5.00 115.26 105.49 1wj6 n ASN 63 Ca 0.00 0.11 -0.34 0.00 -0.03 0.00 0.00 54.58 54.32 1wj6 n ASN 63 Cb 0.17 -2.38 -0.12 0.00 -0.61 0.00 0.00 39.78 36.84 1wj6 n ASN 63 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1wj6 s GLU 64 N -3.60 3.71 0.15 3.52 2.02 -1.26 -4.85 118.70 118.39 1wj6 s GLU 64 Ca 0.00 -0.49 -0.32 0.00 0.02 0.00 0.00 54.97 54.18 1wj6 s GLU 64 Cb 0.00 -3.01 -0.12 0.00 0.10 0.00 0.00 34.13 31.10 1wj6 s GLU 64 CO 0.00 0.18 1.74 0.39 0.02 0.00 0.00 175.26 177.59 1wj6 n GLU 65 N 3.73 2.60 -4.09 1.61 1.02 -1.26 -1.59 120.64 122.66 1wj6 n GLU 65 Ca -0.17 0.94 -0.34 0.00 -0.02 0.00 0.00 57.16 57.57 1wj6 n GLU 65 Cb 0.52 -2.79 -0.15 0.00 -0.02 0.00 0.00 31.44 29.01 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 1.80 2.60 0.00 2.62 1.01 0.55 -4.85 120.40 124.14 1wj6 s VAL 66 Ca 0.79 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 1wj6 s VAL 66 Cb -0.55 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1wj6 s VAL 66 CO 0.36 0.49 0.73 -0.55 0.00 0.00 0.00 175.10 176.14 1wj6 s SER 67 N 1.30 7.12 -0.23 3.32 0.15 -1.26 -0.08 113.70 124.02 1wj6 s SER 67 Ca 0.04 1.34 -0.06 0.00 0.70 0.00 0.00 55.95 57.97 1wj6 s SER 67 Cb -0.14 -2.44 -0.02 0.00 -1.71 0.00 0.00 66.02 61.71 1wj6 s SER 67 CO -0.08 -0.02 0.02 -0.63 1.20 0.00 0.00 173.24 173.73 1wj6 s ILE 68 N 0.21 3.93 -0.07 6.45 1.01 -1.25 -4.93 121.20 126.55 1wj6 s ILE 68 Ca 0.38 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1wj6 s ILE 68 Cb -0.19 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1wj6 s ILE 68 CO 0.21 0.38 -0.06 0.59 0.00 0.00 0.00 174.94 176.06 1wj6 n ASN 69 N 4.78 3.46 -4.71 3.58 3.02 -1.26 -4.81 115.26 119.33 1wj6 n ASN 69 Ca -0.17 -0.04 -0.27 0.00 -0.03 0.00 0.00 54.58 54.08 1wj6 n ASN 69 Cb 0.51 -0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.54 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 -4.62 4.23 0.10 6.41 0.15 -1.26 -4.91 113.70 113.80 1wj6 s SER 70 Ca -0.09 -1.23 -0.25 0.00 0.70 0.00 0.00 55.95 55.07 1wj6 s SER 70 Cb 0.02 -0.33 -0.11 0.00 -1.71 0.00 0.00 66.02 63.89 1wj6 s SER 70 CO 0.17 -0.56 1.68 -0.61 1.20 0.00 0.00 173.24 175.11 1wj6 h GLN 71 N 1.50 -0.30 -0.93 5.44 5.75 -1.97 -2.55 115.11 122.06 1wj6 h GLN 71 Ca -0.43 0.02 0.19 0.00 -0.15 0.00 0.00 58.65 58.28 1wj6 h GLN 71 Cb 1.26 0.07 -0.18 0.00 1.07 0.00 0.00 27.48 29.70 1wj6 h GLN 71 CO 0.73 -0.20 -0.23 0.78 -2.65 0.00 0.00 178.83 177.27 1wj6 h GLY 72 N -0.31 0.68 0.98 2.39 0.00 -1.98 1.63 103.07 106.46 1wj6 h GLY 72 Ca 0.01 0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.70 1wj6 h GLY 72 CO -0.06 -0.35 0.53 0.83 0.00 0.00 0.00 176.54 177.49 1wj6 h GLU 73 N 0.00 0.89 0.06 4.80 3.07 -1.85 -2.60 114.58 118.94 1wj6 h GLU 73 Ca 0.45 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1wj6 h GLU 73 Cb 0.69 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1wj6 h GLU 73 CO -0.95 0.59 -0.03 -0.92 -1.40 0.00 0.00 179.01 176.29 1wj6 h TYR 74 N 0.91 -0.07 -0.44 4.33 3.20 0.23 -3.09 116.97 122.04 1wj6 h TYR 74 Ca 0.34 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.25 1wj6 h TYR 74 Cb 0.19 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 1wj6 h TYR 74 CO -0.00 0.53 -0.26 0.39 -1.64 0.00 0.00 178.16 177.18 1wj6 n GLU 75 N -4.81 -0.19 -0.17 1.82 1.02 0.27 0.52 120.64 119.10 1wj6 n GLU 75 Ca -0.08 1.19 -0.05 0.00 -0.02 0.00 0.00 57.16 58.19 1wj6 n GLU 75 Cb 0.31 -1.76 0.01 0.00 -0.02 0.00 0.00 31.44 29.98 1wj6 n GLU 75 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1wj6 h GLU 76 N 0.00 -0.16 -0.94 3.49 4.11 -1.61 0.51 114.58 119.98 1wj6 h GLU 76 Ca 0.07 0.01 0.19 0.00 0.07 0.00 0.00 59.36 59.70 1wj6 h GLU 76 Cb 0.18 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.36 1wj6 h GLU 76 CO -0.41 -0.10 0.52 0.00 0.07 0.00 0.00 179.01 179.09 1wj6 h ALA 77 N 1.05 1.53 -0.25 1.06 0.00 -0.60 0.88 119.26 122.93 1wj6 h ALA 77 Ca 0.22 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1wj6 h ALA 77 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1wj6 h ALA 77 CO -0.61 -0.14 -0.19 -0.07 0.00 0.00 0.00 179.25 178.24 1wj6 h LEU 78 N 0.64 0.44 -0.46 0.00 3.38 0.47 -0.33 115.31 119.45 1wj6 h LEU 78 Ca 0.55 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 58.25 1wj6 h LEU 78 Cb 0.90 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1wj6 h LEU 78 CO -0.42 0.65 -0.25 0.11 0.09 0.00 0.00 178.44 178.62 1wj6 h LYS 79 N 0.41 0.98 -0.29 1.13 1.57 0.36 -2.91 116.57 117.81 1wj6 h LYS 79 Ca 0.07 -0.44 -0.10 0.00 -1.87 0.00 0.00 60.65 58.30 1wj6 h LYS 79 Cb 0.57 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1wj6 h LYS 79 CO 0.04 1.11 -0.25 1.98 -0.57 0.00 0.00 179.45 181.76 1wj6 h MET 80 N 0.82 0.57 -0.98 3.15 4.05 0.09 -2.74 114.93 119.89 1wj6 h MET 80 Ca 0.10 -0.23 0.09 0.00 -0.28 0.00 0.00 59.70 59.38 1wj6 h MET 80 Cb 0.84 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.53 1wj6 h MET 80 CO 0.07 0.78 0.62 0.00 0.23 0.00 0.00 176.91 178.61 1wj6 h ALA 81 N 1.22 1.42 -0.64 0.39 0.00 -0.88 0.08 119.26 120.85 1wj6 h ALA 81 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1wj6 h ALA 81 Cb 0.71 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1wj6 h ALA 81 CO 0.05 0.31 0.34 0.28 0.00 0.00 0.00 179.25 180.23 1wj6 h VAL 82 N 1.05 0.93 -0.16 0.00 2.07 -1.36 0.13 116.25 118.92 1wj6 h VAL 82 Ca 0.46 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.77 1wj6 h VAL 82 Cb 0.33 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1wj6 h VAL 82 CO -0.22 0.11 0.08 0.11 0.02 0.00 0.00 177.57 177.67 1wj6 h LYS 83 N 0.62 0.17 0.18 1.57 1.57 -1.03 -3.18 116.57 116.48 1wj6 h LYS 83 Ca 0.30 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1wj6 h LYS 83 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1wj6 h LYS 83 CO -0.20 0.11 -0.16 1.96 -0.57 0.00 0.00 179.45 180.59 1wj6 h GLN 84 N 0.17 -0.32 0.00 3.15 4.20 -0.31 -3.46 115.11 118.55 1wj6 h GLN 84 Ca 0.07 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1wj6 h GLN 84 Cb 0.02 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1wj6 h GLN 84 CO -0.05 -0.21 0.00 0.41 -0.67 0.00 0.00 178.83 178.31 1wj6 n GLY 85 N -1.18 0.00 2.25 3.46 0.00 0.23 -4.92 105.19 105.02 1wj6 n GLY 85 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.81 -3.86 1.61 4.13 0.13 -4.90 115.26 108.56 1wj6 n ASN 86 Ca 0.00 -0.03 -0.10 0.00 1.68 0.00 0.00 54.58 56.14 1wj6 n ASN 86 Cb 0.00 -3.00 -0.08 0.00 -1.54 0.00 0.00 39.78 35.16 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 -4.64 0.70 -0.04 3.52 1.03 -1.15 0.20 119.66 119.28 1wj6 s GLN 87 Ca 0.02 -0.72 -0.02 0.00 0.04 0.00 0.00 55.36 54.67 1wj6 s GLN 87 Cb -0.01 0.29 0.02 0.00 0.03 0.00 0.00 33.01 33.35 1wj6 s GLN 87 CO 0.02 -0.20 0.10 -1.17 -2.54 0.00 0.00 175.29 171.49 1wj6 s LEU 88 N -2.25 1.17 -0.67 2.60 2.96 0.30 -4.32 118.68 118.47 1wj6 s LEU 88 Ca -0.03 0.19 -0.21 0.00 -0.22 0.00 0.00 54.13 53.86 1wj6 s LEU 88 Cb 0.00 0.24 0.09 0.00 0.50 0.00 0.00 46.19 47.01 1wj6 s LEU 88 CO -0.05 -0.10 0.90 -1.10 -1.32 0.00 0.00 176.35 174.68 1wj6 s GLN 89 N 0.72 3.14 0.06 1.98 1.11 -1.26 -0.01 119.66 125.40 1wj6 s GLN 89 Ca -0.06 -1.07 0.02 0.00 0.01 0.00 0.00 55.36 54.26 1wj6 s GLN 89 Cb -0.08 -4.30 -0.04 0.00 -1.01 0.00 0.00 33.01 27.58 1wj6 s GLN 89 CO -0.03 -1.73 0.10 -1.64 0.01 0.00 0.00 175.29 171.99 1wj6 s MET 90 N 3.52 2.99 -0.12 2.91 -1.94 0.47 -1.86 119.30 125.27 1wj6 s MET 90 Ca 0.20 -0.62 -0.00 0.00 -1.71 0.00 0.00 55.69 53.56 1wj6 s MET 90 Cb -0.18 -2.79 0.03 0.00 2.01 0.00 0.00 34.83 33.89 1wj6 s MET 90 CO 0.07 0.59 -0.09 -0.65 -0.01 0.00 0.00 175.02 174.93 1wj6 s GLN 91 N -2.30 1.65 0.29 2.03 -0.21 0.53 -0.11 119.66 121.54 1wj6 s GLN 91 Ca 0.29 -0.32 -0.29 0.00 0.02 0.00 0.00 55.36 55.06 1wj6 s GLN 91 Cb -0.12 -1.69 -0.10 0.00 1.00 0.00 0.00 33.01 32.10 1wj6 s GLN 91 CO 0.21 -0.27 1.18 0.08 -2.12 0.00 0.00 175.29 174.37 1wj6 s VAL 92 N 1.67 3.24 -0.34 1.09 1.01 -1.11 0.36 120.40 126.31 1wj6 s VAL 92 Ca 0.05 1.22 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 1wj6 s VAL 92 Cb -0.13 -3.78 0.13 0.00 0.00 0.00 0.00 36.38 32.60 1wj6 s VAL 92 CO -0.09 0.28 0.19 -1.00 0.00 0.00 0.00 175.10 174.48 1wj6 s HIS 93 N -1.04 0.76 0.46 5.22 3.76 -1.24 -4.44 115.29 118.77 1wj6 s HIS 93 Ca 0.47 -1.50 -0.20 0.00 -0.15 0.00 0.00 55.06 53.68 1wj6 s HIS 93 Cb -0.35 -1.02 -0.14 0.00 1.11 0.00 0.00 32.58 32.18 1wj6 s HIS 93 CO 0.44 -0.83 0.12 0.39 -0.85 0.00 0.00 174.74 174.02 1wj6 n GLU 94 N 4.34 0.13 -0.42 1.40 -0.58 -1.26 0.16 120.64 124.41 1wj6 n GLU 94 Ca 0.07 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1wj6 n GLU 94 Cb 0.38 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1wj6 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wj6 n GLY 95 N 2.26 -2.75 2.87 0.62 0.00 0.17 -4.59 105.19 103.76 1wj6 n GLY 95 Ca 0.10 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 1wj6 n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wj6 n SER 96 N 0.00 -2.04 0.00 1.61 3.41 -1.26 -3.87 113.62 111.47 1wj6 n SER 96 Ca 0.00 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 1wj6 n SER 96 Cb 0.00 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1wj6 n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wj6 n GLY 97 N -3.58 -0.29 0.17 5.00 0.00 -1.26 -4.81 105.19 100.42 1wj6 n GLY 97 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.44 0.00 1.61 0.13 -2.01 -3.46 132.00 128.70 1wj6 h PRO 98 Ca 0.00 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1wj6 h PRO 98 Cb 0.00 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1wj6 h PRO 98 CO 0.00 1.08 0.00 0.45 -0.23 0.00 0.00 178.00 179.30 1wj6 n SER 99 N -3.79 0.00 0.00 1.44 2.88 -1.26 -4.67 113.62 108.22 1wj6 n SER 99 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1wj6 n SER 99 Cb 0.79 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 1wj6 n SER 99 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wj6 n SER 100 N 2.79 0.00 0.00 -3.46 3.41 -1.26 -5.14 113.62 109.96 1wj6 n SER 100 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wj6 n SER 100 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wj6 n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49