#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 1.92 0.00 1.61 2.88 -1.26 -5.07 113.62 113.70 1wj6 n SER 2 Ca 0.00 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1wj6 n SER 2 Cb 0.00 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 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 -4.46 0.00 0.00 -3.46 7.64 -1.26 -5.18 113.62 106.90 1wj6 n SER 3 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1wj6 n SER 3 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 2.16 1.76 0.23 0.00 -1.26 -5.11 105.19 102.97 1wj6 n GLY 4 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1wj6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wj6 n SER 5 N 0.00 0.12 -3.07 1.61 2.88 -1.26 -5.10 113.62 108.80 1wj6 n SER 5 Ca 0.00 0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 57.77 1wj6 n SER 5 Cb 0.00 0.20 0.01 0.00 -0.75 0.00 0.00 64.21 63.68 1wj6 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wj6 n SER 6 N -3.39 -7.03 0.00 -3.46 7.64 -1.26 -5.00 113.62 101.13 1wj6 n SER 6 Ca 0.00 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1wj6 n SER 6 Cb 0.02 -3.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 1wj6 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wj6 n GLY 7 N 0.31 0.13 3.81 0.23 0.00 -1.26 -5.12 105.19 103.29 1wj6 n GLY 7 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1wj6 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj6 s PRO 8 N 0.00 3.26 -0.29 1.61 0.04 -1.26 -5.06 135.00 133.30 1wj6 s PRO 8 Ca 0.00 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.18 1wj6 s PRO 8 Cb 0.00 -2.03 0.19 0.00 0.04 0.00 0.00 34.50 32.70 1wj6 s PRO 8 CO 0.00 -0.85 0.55 -1.58 0.04 0.00 0.00 177.00 175.16 1wj6 s HIS 9 N -2.66 -1.62 0.34 0.56 2.46 -1.26 -5.16 115.29 107.95 1wj6 s HIS 9 Ca 0.61 1.08 0.07 0.00 0.47 0.00 0.00 55.06 57.29 1wj6 s HIS 9 Cb -0.15 0.28 -0.02 0.00 -0.13 0.00 0.00 32.58 32.56 1wj6 s HIS 9 CO 0.42 -1.01 0.37 -1.12 -2.47 0.00 0.00 174.74 170.93 1wj6 s SER 10 N 2.77 5.56 0.50 9.88 0.01 -1.26 -5.11 113.70 126.06 1wj6 s SER 10 Ca 0.12 -0.38 -0.10 0.00 1.31 0.00 0.00 55.95 56.90 1wj6 s SER 10 Cb -0.12 -1.06 -0.05 0.00 0.21 0.00 0.00 66.02 65.00 1wj6 s SER 10 CO -0.25 -0.41 0.88 -0.04 0.41 0.00 0.00 173.24 173.84 1wj6 s MET 11 N -4.08 3.70 0.27 12.44 -1.94 -1.26 -5.09 119.30 123.34 1wj6 s MET 11 Ca 0.43 0.57 0.11 0.00 -1.71 0.00 0.00 55.69 55.08 1wj6 s MET 11 Cb -0.07 -2.26 -0.05 0.00 2.01 0.00 0.00 34.83 34.46 1wj6 s MET 11 CO 0.29 -0.26 -0.11 -1.21 -0.01 0.00 0.00 175.02 173.71 1wj6 s GLU 12 N -4.47 1.97 -0.08 2.03 0.41 -1.26 -5.06 118.70 112.24 1wj6 s GLU 12 Ca 0.53 -1.58 -0.25 0.00 -0.41 0.00 0.00 54.97 53.26 1wj6 s GLU 12 Cb -0.10 -1.97 -0.21 0.00 -1.78 0.00 0.00 34.13 30.07 1wj6 s GLU 12 CO 0.41 0.35 0.92 -1.00 -0.49 0.00 0.00 175.26 175.45 1wj6 h PRO 13 N 2.14 -0.05 -4.38 0.39 0.13 -1.90 -3.45 132.00 124.89 1wj6 h PRO 13 Ca -0.42 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.22 1wj6 h PRO 13 Cb 1.25 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 1wj6 h PRO 13 CO 0.60 0.60 1.32 0.00 -0.23 0.00 0.00 178.00 180.29 1wj6 n GLN 14 N -4.77 0.00 -3.88 0.86 10.64 -1.20 -4.64 117.38 114.39 1wj6 n GLN 14 Ca -0.08 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.76 1wj6 n GLN 14 Cb 0.33 -1.23 -0.05 0.00 -0.86 0.00 0.00 30.24 28.44 1wj6 n GLN 14 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1wj6 s VAL 15 N 6.52 5.39 -0.52 -0.39 1.01 -0.84 -4.80 120.40 126.78 1wj6 s VAL 15 Ca 1.07 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.71 1wj6 s VAL 15 Cb -1.10 -3.58 0.13 0.00 0.00 0.00 0.00 36.38 31.83 1wj6 s VAL 15 CO 0.45 0.24 0.45 -0.89 0.00 0.00 0.00 175.10 175.35 1wj6 s THR 16 N -1.41 4.88 -0.70 3.92 2.01 0.51 -1.17 115.64 123.68 1wj6 s THR 16 Ca 0.31 -1.61 -0.24 0.00 0.31 0.00 0.00 61.69 60.45 1wj6 s THR 16 Cb -0.13 -4.15 0.05 0.00 0.01 0.00 0.00 72.50 68.28 1wj6 s THR 16 CO 0.22 -0.84 1.11 -0.76 -0.69 0.00 0.00 174.62 173.66 1wj6 s LEU 17 N 1.50 3.86 -0.61 4.42 1.43 -0.62 -0.06 118.68 128.60 1wj6 s LEU 17 Ca 0.04 -0.78 -0.23 0.00 -1.03 0.00 0.00 54.13 52.13 1wj6 s LEU 17 Cb -0.28 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.51 1wj6 s LEU 17 CO 0.02 -1.61 0.96 0.20 0.23 0.00 0.00 176.35 176.15 1wj6 s ASN 18 N 3.72 6.25 -0.22 2.29 0.01 0.13 -1.07 114.94 126.05 1wj6 s ASN 18 Ca 0.28 -0.65 -0.12 0.00 -0.71 0.00 0.00 52.86 51.66 1wj6 s ASN 18 Cb -0.13 -2.43 -0.05 0.00 0.41 0.00 0.00 41.25 39.05 1wj6 s ASN 18 CO 0.12 -1.35 0.21 -0.69 -1.51 0.00 0.00 177.10 173.87 1wj6 s VAL 19 N 4.08 5.33 -0.43 1.60 1.01 0.12 0.19 120.40 132.31 1wj6 s VAL 19 Ca 0.27 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1wj6 s VAL 19 Cb -0.14 -3.55 0.12 0.00 0.00 0.00 0.00 36.38 32.81 1wj6 s VAL 19 CO 0.15 0.34 0.19 -0.89 0.00 0.00 0.00 175.10 174.89 1wj6 s THR 20 N 0.98 2.90 -0.58 3.92 2.01 0.59 0.13 115.64 125.59 1wj6 s THR 20 Ca 0.10 -2.44 -0.20 0.00 0.31 0.00 0.00 61.69 59.46 1wj6 s THR 20 Cb -0.13 -3.02 0.08 0.00 0.01 0.00 0.00 72.50 69.43 1wj6 s THR 20 CO 0.04 -0.70 0.77 0.12 -0.69 0.00 0.00 174.62 174.16 1wj6 s PHE 21 N 0.71 2.91 0.00 4.92 5.36 0.47 -3.04 117.98 129.32 1wj6 s PHE 21 Ca 0.11 -0.65 0.00 0.00 -0.96 0.00 0.00 56.93 55.43 1wj6 s PHE 21 Cb -0.22 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.51 1wj6 s PHE 21 CO -0.05 -1.31 0.00 1.63 -1.46 0.00 0.00 175.22 174.03 1wj6 n LYS 22 N 6.73 0.00 0.00 10.12 5.02 -1.26 0.79 118.16 139.55 1wj6 n LYS 22 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 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 3.84 0.85 -4.75 4.39 5.15 -1.26 -5.01 115.26 118.47 1wj6 n ASN 23 Ca 0.00 -0.99 -0.37 0.00 -0.60 0.00 0.00 54.58 52.62 1wj6 n ASN 23 Cb 0.00 0.01 -0.07 0.00 -0.53 0.00 0.00 39.78 39.19 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 -0.01 4.16 -0.11 1.20 8.01 0.24 -5.08 118.70 127.11 1wj6 s GLU 24 Ca 0.00 0.19 0.01 0.00 0.01 0.00 0.00 54.97 55.19 1wj6 s GLU 24 Cb 0.00 -3.38 -0.01 0.00 -4.31 0.00 0.00 34.13 26.43 1wj6 s GLU 24 CO 0.00 0.33 -0.16 0.42 0.01 0.00 0.00 175.26 175.86 1wj6 s ILE 25 N 0.14 2.76 0.17 -1.63 1.01 -1.26 0.18 121.20 122.57 1wj6 s ILE 25 Ca 0.19 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1wj6 s ILE 25 Cb -0.14 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 1wj6 s ILE 25 CO 0.07 0.54 -0.02 -1.10 0.00 0.00 0.00 174.94 174.43 1wj6 s GLN 26 N 0.24 1.10 -0.02 2.79 -0.21 0.35 -4.98 119.66 118.93 1wj6 s GLN 26 Ca -0.11 -1.52 -0.00 0.00 0.02 0.00 0.00 55.36 53.75 1wj6 s GLN 26 Cb -0.16 -0.34 0.03 0.00 1.00 0.00 0.00 33.01 33.54 1wj6 s GLN 26 CO 0.06 -0.09 0.04 0.45 -2.12 0.00 0.00 175.29 173.63 1wj6 s SER 27 N -3.17 0.04 -0.21 5.90 0.15 -1.25 0.16 113.70 115.31 1wj6 s SER 27 Ca 0.22 0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.94 1wj6 s SER 27 Cb 0.06 -0.03 0.05 0.00 -1.71 0.00 0.00 66.02 64.39 1wj6 s SER 27 CO 0.03 -0.11 -0.07 -0.36 1.20 0.00 0.00 173.24 173.93 1wj6 s PHE 28 N 0.91 2.28 0.07 3.44 0.08 -0.23 -4.92 117.98 119.61 1wj6 s PHE 28 Ca -0.08 -1.58 -0.30 0.00 0.12 0.00 0.00 56.93 55.09 1wj6 s PHE 28 Cb -0.11 -1.55 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 1wj6 s PHE 28 CO -0.03 -0.74 0.98 -1.17 -0.10 0.00 0.00 175.22 174.17 1wj6 s LEU 29 N 1.44 4.44 -0.50 -0.37 2.96 -1.25 -1.60 118.68 123.80 1wj6 s LEU 29 Ca -0.03 1.76 0.03 0.00 -0.22 0.00 0.00 54.13 55.67 1wj6 s LEU 29 Cb -0.17 -3.58 0.13 0.00 0.50 0.00 0.00 46.19 43.07 1wj6 s LEU 29 CO -0.07 -0.16 0.25 -0.69 -1.32 0.00 0.00 176.35 174.36 1wj6 s VAL 30 N 0.44 2.21 -0.20 1.68 1.01 -0.31 -4.90 120.40 120.32 1wj6 s VAL 30 Ca 0.49 -3.09 0.22 0.00 0.00 0.00 0.00 61.98 59.60 1wj6 s VAL 30 Cb -0.23 -2.54 0.22 0.00 0.00 0.00 0.00 36.38 33.83 1wj6 s VAL 30 CO 0.29 -0.83 1.66 -1.54 0.00 0.00 0.00 175.10 174.68 1wj6 n SER 31 N 3.23 0.56 -3.27 3.32 3.41 -1.26 -1.99 113.62 117.63 1wj6 n SER 31 Ca 0.06 0.76 -0.24 0.00 -0.26 0.00 0.00 58.87 59.20 1wj6 n SER 31 Cb 0.33 -0.83 -0.08 0.00 -0.26 0.00 0.00 64.21 63.37 1wj6 n SER 31 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wj6 n ASP 32 N -2.25 -0.57 0.00 4.04 5.75 -1.26 -3.96 116.55 118.30 1wj6 n ASP 32 Ca -0.01 -2.54 0.12 0.00 -0.01 0.00 0.00 54.79 52.35 1wj6 n ASP 32 Cb 0.03 -0.35 0.64 0.00 -1.03 0.00 0.00 41.12 40.42 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 2.37 0.54 -0.13 0.11 -0.04 -1.18 -1.78 135.00 134.89 1wj6 n PRO 33 Ca 0.26 0.04 -0.27 0.00 -0.04 0.00 0.00 63.50 63.48 1wj6 n PRO 33 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.14 0.58 0.05 0.54 1.02 -1.26 -4.57 120.64 115.85 1wj6 n GLU 34 Ca 0.14 0.29 -0.13 0.00 -0.02 0.00 0.00 57.16 57.45 1wj6 n GLU 34 Cb 0.13 -1.51 -0.08 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.00 -0.07 -3.45 1.62 -1.24 -1.96 -3.44 115.58 106.05 1wj6 h ASN 35 Ca -0.60 -0.16 -0.48 0.00 0.71 0.00 0.00 56.30 55.77 1wj6 h ASN 35 Cb 1.52 0.02 0.21 0.00 0.73 0.00 0.00 38.32 40.80 1wj6 h ASN 35 CO -0.36 0.12 -0.16 1.07 -1.29 0.00 0.00 177.43 176.81 1wj6 n THR 36 N -5.04 0.00 -4.39 -3.57 5.66 -0.73 -5.03 114.28 101.18 1wj6 n THR 36 Ca -0.08 -0.25 -0.27 0.00 -3.05 0.00 0.00 64.05 60.40 1wj6 n THR 36 Cb 0.13 -0.89 -0.11 0.00 -1.55 0.00 0.00 70.33 67.91 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 -2.45 2.55 0.32 1.09 -4.23 -1.26 -4.92 115.64 106.74 1wj6 s THR 37 Ca 0.65 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 59.27 1wj6 s THR 37 Cb -0.22 -2.23 0.29 0.00 1.34 0.00 0.00 72.50 71.68 1wj6 s THR 37 CO 0.63 -0.10 1.92 -0.25 -0.54 0.00 0.00 174.62 176.29 1wj6 h TRP 38 N 3.18 0.95 -0.62 3.99 2.91 -1.91 0.25 115.95 124.70 1wj6 h TRP 38 Ca -0.47 0.02 0.08 0.00 1.13 0.00 0.00 58.89 59.65 1wj6 h TRP 38 Cb 1.20 -0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 29.50 1wj6 h TRP 38 CO 0.67 0.49 0.41 0.00 -1.03 0.00 0.00 178.44 178.98 1wj6 h ALA 39 N 1.54 1.87 -0.16 2.65 0.00 -1.92 1.31 119.26 124.55 1wj6 h ALA 39 Ca 0.37 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 1wj6 h ALA 39 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1wj6 h ALA 39 CO -0.14 0.01 -0.48 -0.44 0.00 0.00 0.00 179.25 178.20 1wj6 h ASP 40 N 0.54 0.46 0.02 0.00 5.19 -0.93 -0.61 116.42 121.10 1wj6 h ASP 40 Ca 0.28 -0.22 -0.09 0.00 -0.62 0.00 0.00 57.03 56.37 1wj6 h ASP 40 Cb 0.38 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 39.77 1wj6 h ASP 40 CO -0.08 0.87 -0.38 0.40 -3.12 0.00 0.00 179.24 176.92 1wj6 h ILE 41 N 0.34 1.55 0.13 0.35 5.03 -0.03 -0.20 117.51 124.67 1wj6 h ILE 41 Ca 0.02 -2.13 0.02 0.00 -0.12 0.00 0.00 64.86 62.64 1wj6 h ILE 41 Cb 0.98 2.90 -0.03 0.00 -3.03 0.00 0.00 36.82 37.63 1wj6 h ILE 41 CO 0.08 0.59 -0.25 -0.08 -0.68 0.00 0.00 178.15 177.81 1wj6 h GLU 42 N -0.47 -0.45 -0.41 2.37 4.81 0.16 0.19 114.58 120.78 1wj6 h GLU 42 Ca -0.06 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1wj6 h GLU 42 Cb 1.18 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1wj6 h GLU 42 CO 0.07 -0.30 -0.06 0.00 -0.73 0.00 0.00 179.01 178.00 1wj6 h ALA 43 N 0.28 1.14 -0.23 2.92 0.00 -1.22 -1.59 119.26 120.55 1wj6 h ALA 43 Ca 0.03 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1wj6 h ALA 43 Cb 0.48 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1wj6 h ALA 43 CO -0.14 0.55 0.02 1.98 0.00 0.00 0.00 179.25 181.66 1wj6 h MET 44 N 0.64 0.10 -0.45 0.00 1.85 -0.18 -0.14 114.93 116.74 1wj6 h MET 44 Ca 0.12 -0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.16 1wj6 h MET 44 Cb 0.48 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.47 1wj6 h MET 44 CO 0.03 0.06 0.11 0.28 -0.40 0.00 0.00 176.91 176.99 1wj6 h VAL 45 N 0.10 1.23 0.00 -5.77 2.07 -0.43 -1.06 116.25 112.39 1wj6 h VAL 45 Ca 0.11 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1wj6 h VAL 45 Cb 0.12 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1wj6 h VAL 45 CO -0.17 0.29 0.00 0.29 0.02 0.00 0.00 177.57 178.01 1wj6 n LYS 46 N -4.50 0.00 -0.30 1.57 5.02 -0.62 -0.73 118.16 118.60 1wj6 n LYS 46 Ca 0.01 0.67 0.13 0.00 -2.02 0.00 0.00 58.31 57.09 1wj6 n LYS 46 Cb 0.22 -1.46 0.29 0.00 -0.02 0.00 0.00 35.03 34.06 1wj6 n LYS 46 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1wj6 h VAL 47 N 0.00 0.30 -0.94 -0.18 -1.51 -1.07 1.93 116.25 114.78 1wj6 h VAL 47 Ca 0.00 -0.07 0.20 0.00 -1.23 0.00 0.00 66.70 65.61 1wj6 h VAL 47 Cb 0.00 0.09 -0.08 0.00 -2.13 0.00 0.00 31.29 29.17 1wj6 h VAL 47 CO 0.00 0.04 0.61 0.28 -1.23 0.00 0.00 177.57 177.27 1wj6 h SER 48 N 0.20 0.49 -0.17 4.19 0.02 -0.36 0.17 113.55 118.09 1wj6 h SER 48 Ca 0.55 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 1wj6 h SER 48 Cb 1.11 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1wj6 h SER 48 CO -0.66 0.19 0.00 0.49 -1.14 0.00 0.00 176.83 175.70 1wj6 n PHE 49 N -4.57 0.52 -3.72 3.45 3.72 0.49 -5.00 117.46 112.35 1wj6 n PHE 49 Ca 0.21 -0.84 -0.24 0.00 -0.05 0.00 0.00 57.45 56.53 1wj6 n PHE 49 Cb 0.68 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 -0.68 -5.17 -4.17 4.37 2.03 0.54 -4.97 116.55 108.50 1wj6 n ASP 50 Ca 0.17 -0.89 -0.22 0.00 0.52 0.00 0.00 54.79 54.37 1wj6 n ASP 50 Cb 0.71 -2.20 -0.14 0.00 -0.72 0.00 0.00 41.12 38.77 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 -5.15 2.15 -0.09 -2.67 1.43 -0.63 -4.95 118.68 108.77 1wj6 s LEU 51 Ca 0.07 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 1wj6 s LEU 51 Cb -0.03 -0.73 -0.12 0.00 0.03 0.00 0.00 46.19 45.34 1wj6 s LEU 51 CO 0.88 0.09 0.51 0.78 0.23 0.00 0.00 176.35 178.85 1wj6 h ASN 52 N 5.01 -0.10 -3.49 2.29 4.21 -1.93 -3.39 115.58 118.19 1wj6 h ASN 52 Ca -0.39 -0.35 -0.34 0.00 1.21 0.00 0.00 56.30 56.43 1wj6 h ASN 52 Cb 1.17 0.03 -0.34 0.00 -1.12 0.00 0.00 38.32 38.06 1wj6 h ASN 52 CO 0.44 0.53 -0.75 0.42 -1.29 0.00 0.00 177.43 176.79 1wj6 s THR 53 N -2.46 0.14 0.26 2.81 -4.23 -1.26 -5.05 115.64 105.85 1wj6 s THR 53 Ca -0.09 0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.57 1wj6 s THR 53 Cb -0.01 -0.25 -0.06 0.00 1.34 0.00 0.00 72.50 73.53 1wj6 s THR 53 CO 0.33 0.14 0.02 0.27 -0.54 0.00 0.00 174.62 174.84 1wj6 s ILE 54 N 1.07 1.08 -0.47 2.99 -4.36 -1.26 0.17 121.20 120.42 1wj6 s ILE 54 Ca -0.09 -2.03 0.08 0.00 -0.26 0.00 0.00 60.65 58.35 1wj6 s ILE 54 Cb -0.13 -2.51 0.26 0.00 1.25 0.00 0.00 42.46 41.33 1wj6 s ILE 54 CO -0.02 -0.20 0.61 1.67 0.24 0.00 0.00 174.94 177.25 1wj6 n GLN 55 N -0.51 1.34 -0.99 0.37 -0.06 0.30 -4.30 117.38 113.54 1wj6 n GLN 55 Ca -0.04 -3.71 -0.35 0.00 -2.00 0.00 0.00 57.00 50.90 1wj6 n GLN 55 Cb 0.65 -1.58 0.06 0.00 -4.06 0.00 0.00 30.24 25.31 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 1.12 0.18 -3.65 1.69 5.41 -1.26 -3.49 119.36 119.36 1wj6 n ILE 56 Ca 0.24 -0.40 -0.07 0.00 1.00 0.00 0.00 62.75 63.52 1wj6 n ILE 56 Cb 0.50 -0.25 -0.09 0.00 -0.71 0.00 0.00 39.64 39.09 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 -2.46 0.36 -0.03 0.38 1.02 0.21 -3.77 119.74 115.45 1wj6 s LYS 57 Ca 0.49 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.58 1wj6 s LYS 57 Cb -0.24 0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 37.45 1wj6 s LYS 57 CO 0.74 -0.25 0.00 1.52 -0.92 0.00 0.00 175.35 176.45 1wj6 s TYR 58 N 2.66 3.11 0.03 3.18 -0.85 0.93 0.19 117.35 126.60 1wj6 s TYR 58 Ca -0.02 0.12 -0.30 0.00 -0.52 0.00 0.00 57.07 56.35 1wj6 s TYR 58 Cb -0.12 -1.72 -0.04 0.00 0.38 0.00 0.00 41.96 40.47 1wj6 s TYR 58 CO -0.14 0.46 1.00 -0.51 -1.52 0.00 0.00 175.55 174.84 1wj6 s LEU 59 N -1.30 4.39 0.00 -3.49 1.43 -0.80 0.15 118.68 119.06 1wj6 s LEU 59 Ca 0.17 1.72 -0.04 0.00 -1.03 0.00 0.00 54.13 54.96 1wj6 s LEU 59 Cb -0.11 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.62 1wj6 s LEU 59 CO 0.07 -0.25 0.58 -0.90 0.23 0.00 0.00 176.35 176.09 1wj6 n ASP 60 N 3.71 0.43 0.05 2.29 5.68 -0.61 -4.76 116.55 123.34 1wj6 n ASP 60 Ca 0.06 -1.45 0.04 0.00 -0.50 0.00 0.00 54.79 52.94 1wj6 n ASP 60 Cb 0.50 -0.41 0.22 0.00 -1.14 0.00 0.00 41.12 40.29 1wj6 n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wj6 n GLU 61 N -2.15 0.05 -0.03 0.11 1.02 -1.26 0.45 120.64 118.82 1wj6 n GLU 61 Ca 0.09 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.84 1wj6 n GLU 61 Cb 0.30 -1.64 0.12 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.74 2.27 -1.84 3.49 -0.58 -1.26 -4.93 120.64 116.04 1wj6 n GLU 62 Ca 0.00 -1.95 -0.11 0.00 -0.42 0.00 0.00 57.16 54.68 1wj6 n GLU 62 Cb 0.04 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.43 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 1.33 -3.85 -4.61 1.62 2.85 0.17 -4.99 115.26 107.78 1wj6 n ASN 63 Ca 0.14 0.10 -0.35 0.00 -0.11 0.00 0.00 54.58 54.37 1wj6 n ASN 63 Cb 0.58 -2.77 -0.10 0.00 1.24 0.00 0.00 39.78 38.73 1wj6 n ASN 63 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1wj6 s GLU 64 N -3.88 3.93 0.11 1.20 2.02 -1.26 -4.75 118.70 116.07 1wj6 s GLU 64 Ca 0.00 -0.36 -0.32 0.00 0.02 0.00 0.00 54.97 54.30 1wj6 s GLU 64 Cb 0.00 -3.24 -0.12 0.00 0.10 0.00 0.00 34.13 30.88 1wj6 s GLU 64 CO 0.00 0.20 1.77 0.39 0.02 0.00 0.00 175.26 177.64 1wj6 n GLU 65 N 3.75 2.53 -4.10 1.61 1.02 -1.26 -1.57 120.64 122.63 1wj6 n GLU 65 Ca -0.16 0.92 -0.33 0.00 -0.02 0.00 0.00 57.16 57.57 1wj6 n GLU 65 Cb 0.52 -2.77 -0.16 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 2.28 1.98 -0.12 2.62 1.01 0.39 -4.86 120.40 123.71 1wj6 s VAL 66 Ca 0.82 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 61.68 1wj6 s VAL 66 Cb -0.57 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1wj6 s VAL 66 CO 0.39 0.52 0.66 -0.94 0.00 0.00 0.00 175.10 175.73 1wj6 s SER 67 N 1.32 6.86 -0.15 3.32 1.04 -1.26 -0.05 113.70 124.79 1wj6 s SER 67 Ca 0.05 1.04 -0.11 0.00 0.48 0.00 0.00 55.95 57.41 1wj6 s SER 67 Cb -0.13 -2.38 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 1wj6 s SER 67 CO -0.13 -0.16 0.21 -0.63 0.98 0.00 0.00 173.24 173.52 1wj6 s ILE 68 N 1.15 5.37 0.00 -1.02 1.01 -1.25 -4.95 121.20 121.51 1wj6 s ILE 68 Ca 0.34 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1wj6 s ILE 68 Cb -0.17 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1wj6 s ILE 68 CO 0.14 0.49 0.00 0.59 0.00 0.00 0.00 174.94 176.16 1wj6 n ASN 69 N 2.93 3.13 -4.50 3.58 3.02 -1.26 -4.77 115.26 117.38 1wj6 n ASN 69 Ca -0.16 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.09 1wj6 n ASN 69 Cb 0.53 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 1wj6 n ASN 69 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wj6 n SER 70 N -2.59 3.22 0.16 6.41 7.64 -1.26 -4.85 113.62 122.35 1wj6 n SER 70 Ca 0.00 -3.11 -0.14 0.00 1.01 0.00 0.00 58.87 56.63 1wj6 n SER 70 Cb 0.49 0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.98 1wj6 n SER 70 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1wj6 h GLN 71 N 0.00 -0.37 -0.90 1.43 5.75 -1.98 -2.86 115.11 116.18 1wj6 h GLN 71 Ca -0.40 0.03 0.26 0.00 -0.15 0.00 0.00 58.65 58.39 1wj6 h GLN 71 Cb 1.21 0.08 -0.17 0.00 1.07 0.00 0.00 27.48 29.68 1wj6 h GLN 71 CO 0.66 -0.10 0.07 0.41 -2.65 0.00 0.00 178.83 177.22 1wj6 n GLY 72 N -0.59 -1.16 0.17 2.39 0.00 -1.26 0.18 105.19 104.92 1wj6 n GLY 72 Ca -0.10 0.87 -0.10 0.00 0.00 0.00 0.00 46.02 46.69 1wj6 n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wj6 h GLU 73 N 0.00 0.50 -0.22 1.61 5.08 -1.94 -2.98 114.58 116.63 1wj6 h GLU 73 Ca 0.57 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.81 1wj6 h GLU 73 Cb 1.23 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1wj6 h GLU 73 CO -0.83 0.52 0.05 -0.92 -1.00 0.00 0.00 179.01 176.83 1wj6 h TYR 74 N 0.39 0.38 -0.40 4.33 3.20 0.22 -2.90 116.97 122.18 1wj6 h TYR 74 Ca 0.11 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.97 1wj6 h TYR 74 Cb 0.21 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 1wj6 h TYR 74 CO 0.00 0.46 -0.28 0.93 -1.64 0.00 0.00 178.16 177.64 1wj6 h GLU 75 N 0.18 -0.05 -0.56 1.82 5.08 0.69 0.82 114.58 122.56 1wj6 h GLU 75 Ca 0.07 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.54 1wj6 h GLU 75 Cb 0.28 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.43 1wj6 h GLU 75 CO 0.00 -0.03 -0.22 0.93 -1.00 0.00 0.00 179.01 178.68 1wj6 h GLU 76 N -0.05 -0.09 -0.98 2.33 5.08 -1.55 0.53 114.58 119.85 1wj6 h GLU 76 Ca 0.06 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.57 1wj6 h GLU 76 Cb 0.22 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 1wj6 h GLU 76 CO -0.40 -0.06 0.60 0.00 -1.00 0.00 0.00 179.01 178.15 1wj6 h ALA 77 N 1.31 1.52 -0.19 3.43 0.00 -0.67 0.54 119.26 125.20 1wj6 h ALA 77 Ca 0.26 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1wj6 h ALA 77 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1wj6 h ALA 77 CO -0.62 0.12 -0.15 -0.07 0.00 0.00 0.00 179.25 178.53 1wj6 h LEU 78 N 0.89 0.30 -0.39 0.00 3.38 0.54 0.24 115.31 120.26 1wj6 h LEU 78 Ca 0.51 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 58.25 1wj6 h LEU 78 Cb 0.61 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1wj6 h LEU 78 CO -0.30 0.48 -0.40 0.11 0.09 0.00 0.00 178.44 178.42 1wj6 h LYS 79 N 0.30 0.93 -0.22 1.13 1.57 0.27 -3.02 116.57 117.53 1wj6 h LYS 79 Ca 0.06 -0.50 -0.11 0.00 -1.87 0.00 0.00 60.65 58.23 1wj6 h LYS 79 Cb 0.45 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1wj6 h LYS 79 CO 0.03 1.15 -0.30 1.98 -0.57 0.00 0.00 179.45 181.74 1wj6 h MET 80 N 0.76 0.58 -0.92 3.15 4.05 -0.17 -3.08 114.93 119.30 1wj6 h MET 80 Ca 0.06 -0.34 0.23 0.00 -0.28 0.00 0.00 59.70 59.37 1wj6 h MET 80 Cb 0.99 0.03 -0.13 0.00 -0.80 0.00 0.00 31.60 31.69 1wj6 h MET 80 CO 0.10 0.94 0.42 0.00 0.23 0.00 0.00 176.91 178.60 1wj6 h ALA 81 N 0.63 1.51 -0.68 0.39 0.00 -0.53 0.70 119.26 121.29 1wj6 h ALA 81 Ca 0.02 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1wj6 h ALA 81 Cb 0.87 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1wj6 h ALA 81 CO 0.07 -0.36 0.33 0.28 0.00 0.00 0.00 179.25 179.57 1wj6 h VAL 82 N 0.41 0.85 -0.24 0.00 2.07 -1.44 0.22 116.25 118.11 1wj6 h VAL 82 Ca 0.58 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.95 1wj6 h VAL 82 Cb 1.13 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1wj6 h VAL 82 CO -0.53 0.10 -0.04 0.11 0.02 0.00 0.00 177.57 177.23 1wj6 h LYS 83 N 0.57 0.02 0.48 1.57 1.57 0.36 -2.92 116.57 118.23 1wj6 h LYS 83 Ca 0.33 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1wj6 h LYS 83 Cb 0.35 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1wj6 h LYS 83 CO -0.26 0.01 -0.38 1.96 -0.57 0.00 0.00 179.45 180.20 1wj6 h GLN 84 N 0.02 -0.81 0.00 3.15 4.20 -0.58 -3.46 115.11 117.64 1wj6 h GLN 84 Ca 0.12 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1wj6 h GLN 84 Cb 0.17 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1wj6 h GLN 84 CO -0.24 -0.54 0.00 0.41 -0.67 0.00 0.00 178.83 177.80 1wj6 n GLY 85 N -1.45 0.00 2.21 3.46 0.00 -0.06 -4.91 105.19 104.43 1wj6 n GLY 85 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.54 -3.99 1.61 4.13 -0.45 -4.90 115.26 108.12 1wj6 n ASN 86 Ca 0.00 0.01 -0.08 0.00 1.68 0.00 0.00 54.58 56.19 1wj6 n ASN 86 Cb 0.00 -2.73 -0.09 0.00 -1.54 0.00 0.00 39.78 35.43 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 -4.39 0.72 -0.09 3.52 1.03 -1.13 0.19 119.66 119.52 1wj6 s GLN 87 Ca 0.00 -1.11 -0.07 0.00 0.04 0.00 0.00 55.36 54.22 1wj6 s GLN 87 Cb 0.00 0.27 0.03 0.00 0.03 0.00 0.00 33.01 33.34 1wj6 s GLN 87 CO 0.00 -0.18 0.22 -1.17 -2.54 0.00 0.00 175.29 171.62 1wj6 s LEU 88 N -2.90 0.95 -0.65 2.60 2.96 0.92 -4.24 118.68 118.32 1wj6 s LEU 88 Ca 0.06 0.45 -0.20 0.00 -0.22 0.00 0.00 54.13 54.23 1wj6 s LEU 88 Cb 0.07 0.72 0.10 0.00 0.50 0.00 0.00 46.19 47.58 1wj6 s LEU 88 CO -0.10 -0.10 0.83 -1.10 -1.32 0.00 0.00 176.35 174.56 1wj6 s GLN 89 N 0.47 3.13 0.10 1.98 1.11 -1.26 0.20 119.66 125.38 1wj6 s GLN 89 Ca -0.03 -1.23 0.03 0.00 0.01 0.00 0.00 55.36 54.14 1wj6 s GLN 89 Cb -0.04 -4.31 -0.04 0.00 -1.01 0.00 0.00 33.01 27.60 1wj6 s GLN 89 CO -0.02 -1.65 0.13 -1.64 0.01 0.00 0.00 175.29 172.12 1wj6 s MET 90 N 3.08 3.01 -0.11 2.91 -1.94 0.50 -1.90 119.30 124.85 1wj6 s MET 90 Ca 0.17 -0.69 -0.00 0.00 -1.71 0.00 0.00 55.69 53.46 1wj6 s MET 90 Cb -0.20 -2.77 0.02 0.00 2.01 0.00 0.00 34.83 33.89 1wj6 s MET 90 CO 0.06 0.55 -0.09 -0.65 -0.01 0.00 0.00 175.02 174.88 1wj6 s GLN 91 N -2.65 1.61 0.32 2.03 -0.21 0.51 -0.30 119.66 120.97 1wj6 s GLN 91 Ca 0.31 -0.30 -0.28 0.00 0.02 0.00 0.00 55.36 55.11 1wj6 s GLN 91 Cb -0.12 -1.60 -0.09 0.00 1.00 0.00 0.00 33.01 32.20 1wj6 s GLN 91 CO 0.24 -0.23 1.15 0.08 -2.12 0.00 0.00 175.29 174.41 1wj6 s VAL 92 N 1.55 3.29 -0.38 1.09 1.01 -1.17 0.66 120.40 126.46 1wj6 s VAL 92 Ca 0.02 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.27 1wj6 s VAL 92 Cb -0.13 -3.77 0.15 0.00 0.00 0.00 0.00 36.38 32.63 1wj6 s VAL 92 CO -0.07 0.25 0.29 -1.00 0.00 0.00 0.00 175.10 174.58 1wj6 s HIS 93 N -1.23 0.51 0.39 5.22 3.76 -1.23 -4.54 115.29 118.17 1wj6 s HIS 93 Ca 0.48 -1.59 -0.16 0.00 -0.15 0.00 0.00 55.06 53.64 1wj6 s HIS 93 Cb -0.33 -0.76 -0.13 0.00 1.11 0.00 0.00 32.58 32.48 1wj6 s HIS 93 CO 0.42 -0.87 -0.04 -1.91 -0.85 0.00 0.00 174.74 171.49 1wj6 n GLU 94 N 3.75 0.00 -0.43 1.40 0.00 -1.26 0.11 120.64 124.21 1wj6 n GLU 94 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1wj6 n GLU 94 Cb 0.42 -0.83 0.00 0.00 0.00 0.00 0.00 31.44 31.03 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 2.03 -3.20 2.47 8.31 0.00 0.45 -4.52 105.19 110.72 1wj6 n GLY 95 Ca 0.08 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1wj6 n GLY 95 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wj6 n SER 96 N -0.02 0.08 -3.57 1.61 2.88 -1.26 -3.65 113.62 109.70 1wj6 n SER 96 Ca 0.00 -1.32 -0.27 0.00 -1.33 0.00 0.00 58.87 55.95 1wj6 n SER 96 Cb 0.00 -0.65 -0.11 0.00 -0.75 0.00 0.00 64.21 62.71 1wj6 n SER 96 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wj6 s GLY 97 N -4.84 1.78 0.85 0.46 0.00 -1.26 -4.98 107.32 99.32 1wj6 s GLY 97 Ca 0.48 -2.90 -0.12 0.00 0.00 0.00 0.00 44.72 42.18 1wj6 s GLY 97 CO 0.34 1.77 1.12 2.56 0.00 0.00 0.00 173.10 178.88 1wj6 s PRO 98 N -0.41 1.61 -0.30 2.90 0.04 -1.26 -5.07 135.00 132.52 1wj6 s PRO 98 Ca 0.29 0.46 0.03 0.00 0.04 0.00 0.00 61.00 61.83 1wj6 s PRO 98 Cb -0.00 -1.88 0.17 0.00 0.04 0.00 0.00 34.50 32.83 1wj6 s PRO 98 CO -0.18 -1.91 0.46 0.45 0.04 0.00 0.00 177.00 175.87 1wj6 s SER 99 N -3.97 -0.13 0.38 6.66 0.15 -1.26 -4.99 113.70 110.54 1wj6 s SER 99 Ca 0.62 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1wj6 s SER 99 Cb -0.15 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1wj6 s SER 99 CO 0.54 -0.33 0.00 -0.24 1.20 0.00 0.00 173.24 174.41 1wj6 n SER 100 N 5.29 -3.17 -0.69 5.45 2.88 -1.26 -5.37 113.62 116.75 1wj6 n SER 100 Ca 0.03 0.73 0.13 0.00 -1.33 0.00 0.00 58.87 58.43 1wj6 n SER 100 Cb 0.51 3.03 0.34 0.00 -0.75 0.00 0.00 64.21 67.33 1wj6 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42