#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k20 n THR 8 N 0.00 0.00 -2.70 2.61 -2.24 -1.26 -5.04 114.28 105.65 2k20 n THR 8 Ca 0.00 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.07 2k20 n THR 8 Cb 0.00 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 2k20 n THR 8 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2k20 s ARG 9 N 0.00 4.28 -0.07 -0.78 3.52 -1.26 -0.34 118.95 124.31 2k20 s ARG 9 Ca 0.12 1.33 -0.23 0.00 -0.13 0.00 0.00 55.73 56.82 2k20 s ARG 9 Cb 0.14 -2.48 0.05 0.00 -1.56 0.00 0.00 34.95 31.10 2k20 s ARG 9 CO -0.06 -0.00 0.51 -1.83 -0.81 0.00 0.00 175.30 173.11 2k20 s GLU 10 N -2.62 0.83 0.21 5.12 -1.05 -0.40 -4.94 118.70 115.85 2k20 s GLU 10 Ca 0.57 0.18 -0.16 0.00 -0.15 0.00 0.00 54.97 55.42 2k20 s GLU 10 Cb -0.17 0.39 -0.08 0.00 -0.44 0.00 0.00 34.13 33.83 2k20 s GLU 10 CO 0.21 -0.23 0.64 -0.06 0.95 0.00 0.00 175.26 176.78 2k20 s PHE 11 N -0.96 3.56 -0.18 4.83 0.08 -1.26 -2.09 117.98 121.97 2k20 s PHE 11 Ca -0.10 1.18 -0.05 0.00 0.12 0.00 0.00 56.93 58.08 2k20 s PHE 11 Cb -0.03 -2.47 0.07 0.00 -0.57 0.00 0.00 43.02 40.02 2k20 s PHE 11 CO 0.06 0.32 0.11 -0.51 -0.10 0.00 0.00 175.22 175.11 2k20 s LEU 12 N -2.23 0.27 0.33 -0.37 1.43 0.39 -4.95 118.68 113.56 2k20 s LEU 12 Ca 0.43 -0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 52.73 2k20 s LEU 12 Cb -0.14 -0.14 -0.10 0.00 0.03 0.00 0.00 46.19 45.83 2k20 s LEU 12 CO 0.20 -0.35 0.92 -0.89 0.23 0.00 0.00 176.35 176.46 2k20 s THR 13 N 2.17 4.28 0.22 5.49 2.01 -1.26 -0.04 115.64 128.51 2k20 s THR 13 Ca 0.03 1.71 -0.00 0.00 0.31 0.00 0.00 61.69 63.74 2k20 s THR 13 Cb -0.16 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2k20 s THR 13 CO -0.10 0.06 0.16 -0.36 -0.69 0.00 0.00 174.62 173.69 2k20 s PHE 14 N -1.72 1.23 -0.26 4.92 0.08 0.39 -4.91 117.98 117.72 2k20 s PHE 14 Ca 0.52 -1.41 -0.03 0.00 0.12 0.00 0.00 56.93 56.13 2k20 s PHE 14 Cb -0.17 -0.57 0.11 0.00 -0.57 0.00 0.00 43.02 41.82 2k20 s PHE 14 CO 0.21 -0.68 0.20 -1.21 -0.10 0.00 0.00 175.22 173.64 2k20 s GLU 15 N -4.05 0.22 -0.35 0.44 8.01 -1.26 0.30 118.70 122.02 2k20 s GLU 15 Ca 0.39 -0.18 -0.10 0.00 0.01 0.00 0.00 54.97 55.08 2k20 s GLU 15 Cb 0.06 -1.08 0.02 0.00 -4.31 0.00 0.00 34.13 28.82 2k20 s GLU 15 CO 0.14 -0.90 0.18 0.08 0.01 0.00 0.00 175.26 174.77 2k20 s VAL 16 N 2.24 4.52 -0.09 2.63 1.01 0.11 -4.89 120.40 125.93 2k20 s VAL 16 Ca 0.08 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 2k20 s VAL 16 Cb -0.15 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2k20 s VAL 16 CO -0.27 -0.13 0.85 -2.16 0.00 0.00 0.00 175.10 173.39 2k20 s PRO 17 N 1.56 4.42 -0.19 2.72 0.04 -1.26 -0.44 135.00 141.86 2k20 s PRO 17 Ca 0.03 1.12 0.13 0.00 0.04 0.00 0.00 61.00 62.32 2k20 s PRO 17 Cb -0.18 -3.50 0.39 0.00 0.04 0.00 0.00 34.50 31.25 2k20 s PRO 17 CO 0.06 -0.13 1.20 1.47 0.04 0.00 0.00 177.00 179.65 2k20 n LEU 18 N 4.40 2.56 -0.67 -3.56 -0.00 -0.19 -4.45 117.00 115.09 2k20 n LEU 18 Ca 0.04 -3.66 0.51 0.00 -0.00 0.00 0.00 56.01 52.90 2k20 n LEU 18 Cb 0.50 -0.49 0.82 0.00 -0.00 0.00 0.00 43.42 44.25 2k20 n LEU 18 CO 0.49 1.23 1.47 -0.55 -0.00 0.00 0.00 177.39 180.04 2k20 h ASN 19 N 0.80 0.01 0.00 1.45 -1.07 -1.92 1.15 115.58 115.99 2k20 h ASN 19 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.27 2k20 h ASN 19 Cb 1.03 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.27 2k20 h ASN 19 CO 0.00 -0.01 -1.36 0.47 0.07 0.00 0.00 177.43 176.61 2k20 n ASP 20 N -3.98 3.68 0.00 6.14 9.92 -1.26 -4.54 116.55 126.51 2k20 n ASP 20 Ca 0.43 -0.01 0.09 0.00 -0.53 0.00 0.00 54.79 54.77 2k20 n ASP 20 Cb 1.93 0.52 0.44 0.00 -0.64 0.00 0.00 41.12 43.38 2k20 n ASP 20 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2k20 n SER 21 N -2.27 0.00 -0.33 -2.24 2.88 0.35 -3.60 113.62 108.41 2k20 n SER 21 Ca -0.09 0.22 0.36 0.00 -1.33 0.00 0.00 58.87 58.03 2k20 n SER 21 Cb 0.66 -0.38 0.70 0.00 -0.75 0.00 0.00 64.21 64.45 2k20 n SER 21 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2k20 h GLY 22 N 3.16 0.00 1.19 0.46 0.00 0.97 0.95 103.07 109.81 2k20 h GLY 22 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2k20 h GLY 22 CO 0.00 0.00 -1.56 1.76 0.00 0.00 0.00 176.54 176.74 2k20 h SER 23 N 0.00 0.30 -0.28 0.19 0.02 -1.84 -3.30 113.55 108.65 2k20 h SER 23 Ca 0.58 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2k20 h SER 23 Cb 2.59 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 65.03 2k20 h SER 23 CO -0.01 1.39 0.00 0.00 -1.14 0.00 0.00 176.83 177.07 2k20 n ALA 24 N -2.66 2.47 0.00 3.77 0.00 0.30 -4.93 120.51 119.45 2k20 n ALA 24 Ca -0.17 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2k20 n ALA 24 Cb 1.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2k20 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k20 n GLY 25 N 1.00 1.68 0.00 0.00 0.00 0.65 -3.32 105.19 105.20 2k20 n GLY 25 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2k20 n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k20 n LEU 26 N 0.00 0.00 0.00 0.99 7.94 -1.23 -4.62 117.00 120.08 2k20 n LEU 26 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k20 n LEU 26 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k20 n LEU 26 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2k20 n GLY 27 N -0.02 1.45 3.42 -3.96 0.00 -1.21 0.23 105.19 105.10 2k20 n GLY 27 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2k20 n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k20 s VAL 28 N -2.00 0.01 -0.09 1.61 -7.23 -1.26 0.18 120.40 111.62 2k20 s VAL 28 Ca 0.00 -0.08 0.02 0.00 -1.81 0.00 0.00 61.98 60.10 2k20 s VAL 28 Cb 0.00 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 2k20 s VAL 28 CO 0.00 -0.05 -0.14 -0.94 -0.31 0.00 0.00 175.10 173.67 2k20 s SER 29 N -2.41 4.02 0.03 4.85 1.04 0.19 -4.90 113.70 116.52 2k20 s SER 29 Ca -0.02 -0.26 0.09 0.00 0.48 0.00 0.00 55.95 56.24 2k20 s SER 29 Cb -0.01 -1.23 -0.03 0.00 0.10 0.00 0.00 66.02 64.86 2k20 s SER 29 CO -0.08 0.26 -0.26 0.68 0.98 0.00 0.00 173.24 174.82 2k20 s VAL 30 N -0.19 2.06 -0.05 5.02 -7.23 -1.26 0.27 120.40 119.02 2k20 s VAL 30 Ca 0.00 -1.31 -0.02 0.00 -1.81 0.00 0.00 61.98 58.84 2k20 s VAL 30 Cb -0.13 -1.75 0.04 0.00 0.56 0.00 0.00 36.38 35.09 2k20 s VAL 30 CO 0.03 0.39 0.10 -1.59 -0.31 0.00 0.00 175.10 173.72 2k20 s LYS 31 N -1.11 0.04 0.13 4.82 -2.85 -0.96 -4.83 119.74 114.97 2k20 s LYS 31 Ca 0.11 0.31 0.03 0.00 -1.00 0.00 0.00 55.97 55.41 2k20 s LYS 31 Cb -0.10 -0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.42 2k20 s LYS 31 CO 0.01 -0.17 0.19 0.20 0.10 0.00 0.00 175.35 175.68 2k20 s GLY 32 N 1.17 1.84 0.42 0.59 0.00 -1.26 -1.25 107.32 108.84 2k20 s GLY 32 Ca -0.09 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.61 2k20 s GLY 32 CO -0.05 -1.05 0.06 -1.31 0.00 0.00 0.00 173.10 170.75 2k20 s ASN 33 N -2.93 3.24 0.22 1.64 0.02 -0.78 -4.97 114.94 111.37 2k20 s ASN 33 Ca 0.33 -1.56 0.10 0.00 -1.02 0.00 0.00 52.86 50.71 2k20 s ASN 33 Cb -0.11 0.26 -0.05 0.00 0.02 0.00 0.00 41.25 41.37 2k20 s ASN 33 CO 0.26 -0.77 -0.19 -0.13 0.02 0.00 0.00 177.10 176.28 2k20 s ARG 34 N -3.80 1.47 0.80 -0.60 0.52 -1.26 0.36 118.95 116.44 2k20 s ARG 34 Ca 0.23 -1.58 -0.15 0.00 -0.52 0.00 0.00 55.73 53.70 2k20 s ARG 34 Cb 0.05 -1.55 -0.02 0.00 0.52 0.00 0.00 34.95 33.95 2k20 s ARG 34 CO 0.12 0.30 0.45 0.43 0.02 0.00 0.00 175.30 176.63 2k20 n SER 35 N -0.13 -1.61 -0.18 0.23 7.64 0.25 -4.74 113.62 115.08 2k20 n SER 35 Ca -0.09 0.50 -0.10 0.00 1.01 0.00 0.00 58.87 60.19 2k20 n SER 35 Cb 0.58 -1.20 0.03 0.00 -1.01 0.00 0.00 64.21 62.61 2k20 n SER 35 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2k20 h LYS 36 N -0.76 1.01 0.00 1.43 1.63 -2.00 -3.39 116.57 114.49 2k20 h LYS 36 Ca -0.45 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 58.98 2k20 h LYS 36 Cb 1.33 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2k20 h LYS 36 CO 0.39 1.05 0.00 0.39 -3.45 0.00 0.00 179.45 177.84 2k20 n GLU 37 N -4.15 0.00 -1.21 1.90 -0.58 -1.26 -4.99 120.64 110.36 2k20 n GLU 37 Ca 0.02 0.06 -0.17 0.00 -0.42 0.00 0.00 57.16 56.65 2k20 n GLU 37 Cb 0.40 -0.53 0.11 0.00 -0.57 0.00 0.00 31.44 30.86 2k20 n GLU 37 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2k20 n ASN 38 N -0.77 0.16 -2.12 1.62 3.02 -1.26 -4.97 115.26 110.93 2k20 n ASN 38 Ca 0.00 -1.33 -0.22 0.00 -0.03 0.00 0.00 54.58 53.00 2k20 n ASN 38 Cb 0.00 -0.57 0.17 0.00 -0.61 0.00 0.00 39.78 38.76 2k20 n ASN 38 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2k20 n HIS 39 N -2.98 2.81 -2.35 3.10 8.25 -1.26 -3.71 115.22 119.09 2k20 n HIS 39 Ca 0.10 -1.73 -0.43 0.00 -0.26 0.00 0.00 57.72 55.40 2k20 n HIS 39 Cb 0.34 -0.89 -0.02 0.00 1.12 0.00 0.00 29.99 30.54 2k20 n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k20 s ALA 40 N -3.02 3.39 0.01 -1.41 0.00 -1.26 -4.71 121.76 114.76 2k20 s ALA 40 Ca 0.52 0.25 -0.31 0.00 0.00 0.00 0.00 51.96 52.43 2k20 s ALA 40 Cb 0.44 -3.77 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2k20 s ALA 40 CO 0.10 -1.71 1.97 -0.40 0.00 0.00 0.00 175.76 175.72 2k20 n ASP 41 N 7.64 4.02 0.16 0.00 5.68 -1.26 0.86 116.55 133.65 2k20 n ASP 41 Ca 0.16 0.89 0.03 0.00 -0.50 0.00 0.00 54.79 55.36 2k20 n ASP 41 Cb 0.46 -1.50 0.18 0.00 -1.14 0.00 0.00 41.12 39.11 2k20 n ASP 41 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2k20 h LEU 42 N 10.55 0.00 0.00 -2.12 3.38 -0.39 -3.45 115.31 123.28 2k20 h LEU 42 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2k20 h LEU 42 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2k20 h LEU 42 CO 0.94 0.50 0.00 0.61 0.09 0.00 0.00 178.44 180.58 2k20 n GLY 43 N 0.68 0.90 3.60 0.83 0.00 -1.23 -4.98 105.19 104.99 2k20 n GLY 43 Ca 0.00 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 2k20 n GLY 43 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k20 s ILE 44 N -1.11 4.21 0.03 -0.61 -0.00 -1.26 -1.87 121.20 120.59 2k20 s ILE 44 Ca 0.00 -0.26 0.08 0.00 -0.00 0.00 0.00 60.65 60.46 2k20 s ILE 44 Cb 0.00 -2.82 -0.03 0.00 -0.00 0.00 0.00 42.46 39.61 2k20 s ILE 44 CO 0.00 0.54 -0.21 -0.36 -0.00 0.00 0.00 174.94 174.91 2k20 s PHE 45 N -0.20 2.47 -0.42 1.37 0.08 -0.38 -0.68 117.98 120.22 2k20 s PHE 45 Ca 0.05 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.48 2k20 s PHE 45 Cb -0.13 -1.46 -0.10 0.00 -0.57 0.00 0.00 43.02 40.77 2k20 s PHE 45 CO 0.02 0.18 2.31 0.28 -0.10 0.00 0.00 175.22 177.92 2k20 n VAL 46 N 1.75 0.13 0.10 -0.44 0.31 -0.85 -2.27 118.33 117.07 2k20 n VAL 46 Ca -0.16 -0.43 -0.13 0.00 -0.01 0.00 0.00 64.34 63.60 2k20 n VAL 46 Cb 0.52 -2.08 -0.08 0.00 -0.91 0.00 0.00 33.84 31.29 2k20 n VAL 46 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2k20 h LYS 47 N 14.98 -0.24 -1.53 5.55 3.11 0.34 0.24 116.57 139.03 2k20 h LYS 47 Ca -0.28 0.02 0.10 0.00 -2.81 0.00 0.00 60.65 57.68 2k20 h LYS 47 Cb 1.29 0.05 -0.27 0.00 -1.00 0.00 0.00 32.23 32.30 2k20 h LYS 47 CO 1.08 0.06 0.43 0.45 -2.81 0.00 0.00 179.45 178.67 2k20 s SER 48 N -5.23 -0.46 -0.32 4.20 0.15 -0.91 -4.78 113.70 106.35 2k20 s SER 48 Ca -0.15 0.79 -0.16 0.00 0.70 0.00 0.00 55.95 57.13 2k20 s SER 48 Cb 0.03 1.04 -0.02 0.00 -1.71 0.00 0.00 66.02 65.36 2k20 s SER 48 CO 0.60 -0.13 0.44 -0.63 1.20 0.00 0.00 173.24 174.72 2k20 s ILE 49 N 0.90 5.10 -0.11 6.45 1.01 -1.26 0.56 121.20 133.85 2k20 s ILE 49 Ca -0.04 0.34 -0.31 0.00 0.00 0.00 0.00 60.65 60.65 2k20 s ILE 49 Cb -0.04 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 2k20 s ILE 49 CO -0.12 -0.07 2.06 -0.38 0.00 0.00 0.00 174.94 176.42 2k20 n ILE 50 N 5.28 0.54 -1.00 2.92 -0.00 0.48 -4.81 119.36 122.77 2k20 n ILE 50 Ca -0.07 -0.25 -0.43 0.00 -0.00 0.00 0.00 62.75 62.00 2k20 n ILE 50 Cb 0.49 -2.25 -0.07 0.00 -0.00 0.00 0.00 39.64 37.82 2k20 n ILE 50 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2k20 n ASN 51 N 8.92 2.20 0.00 4.38 3.02 -1.26 -1.98 115.26 130.54 2k20 n ASN 51 Ca 0.26 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 2k20 n ASN 51 Cb 0.38 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 2k20 n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k20 n GLY 52 N 4.62 0.28 0.82 7.41 0.00 -1.26 -5.07 105.19 111.99 2k20 n GLY 52 Ca 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.44 2k20 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k20 n GLY 53 N 0.00 -2.76 0.32 -0.02 0.00 -0.84 -4.69 105.19 97.20 2k20 n GLY 53 Ca 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 2k20 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k20 h ALA 54 N -2.22 0.97 -0.14 4.61 0.00 0.27 -1.73 119.26 121.03 2k20 h ALA 54 Ca -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2k20 h ALA 54 Cb 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2k20 h ALA 54 CO 0.06 0.58 0.03 0.00 0.00 0.00 0.00 179.25 179.92 2k20 h ALA 55 N 1.16 0.18 -0.05 0.00 0.00 0.21 0.63 119.26 121.39 2k20 h ALA 55 Ca 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2k20 h ALA 55 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k20 h ALA 55 CO -0.02 -0.18 -0.14 1.03 0.00 0.00 0.00 179.25 179.94 2k20 h SER 56 N 0.02 0.07 0.93 0.00 0.87 -1.69 -1.73 113.55 112.02 2k20 h SER 56 Ca 0.04 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.44 2k20 h SER 56 Cb 0.26 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2k20 h SER 56 CO 0.00 0.22 -0.74 0.11 -0.53 0.00 0.00 176.83 175.89 2k20 h LYS 57 N 0.08 0.00 -0.21 2.24 1.57 -0.97 -3.16 116.57 116.11 2k20 h LYS 57 Ca 0.02 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2k20 h LYS 57 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2k20 h LYS 57 CO 0.02 0.74 0.16 0.22 -0.57 0.00 0.00 179.45 180.02 2k20 h ASP 58 N 0.00 0.00 -0.39 0.86 3.58 0.08 -3.45 116.42 117.10 2k20 h ASP 58 Ca -0.01 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2k20 h ASP 58 Cb 1.40 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.39 2k20 h ASP 58 CO 0.10 0.00 -0.15 0.61 -2.88 0.00 0.00 179.24 176.91 2k20 n GLY 59 N -1.55 0.95 0.07 -0.78 0.00 -1.20 -4.79 105.19 97.89 2k20 n GLY 59 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2k20 n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k20 n ARG 60 N -1.93 0.21 -4.29 1.61 1.85 -1.26 -5.07 116.66 107.77 2k20 n ARG 60 Ca -0.08 -0.66 -0.34 0.00 -1.00 0.00 0.00 57.85 55.76 2k20 n ARG 60 Cb 0.37 -0.54 -0.10 0.00 -1.05 0.00 0.00 32.46 31.14 2k20 n ARG 60 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2k20 s LEU 61 N -0.10 3.55 0.01 2.89 1.43 -1.26 -5.06 118.68 120.15 2k20 s LEU 61 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2k20 s LEU 61 Cb 0.00 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2k20 s LEU 61 CO 0.00 0.27 -0.02 0.00 0.23 0.00 0.00 176.35 176.83 2k20 s ARG 62 N -0.26 0.21 0.59 1.70 3.03 -1.26 -4.91 118.95 118.06 2k20 s ARG 62 Ca 0.06 -0.32 -0.20 0.00 2.03 0.00 0.00 55.73 57.31 2k20 s ARG 62 Cb -0.12 -0.04 -0.03 0.00 -1.03 0.00 0.00 34.95 33.73 2k20 s ARG 62 CO 0.02 0.00 1.29 0.08 -1.13 0.00 0.00 175.30 175.56 2k20 s VAL 63 N -0.67 2.22 0.00 4.99 1.01 -1.26 -2.74 120.40 123.95 2k20 s VAL 63 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2k20 s VAL 63 Cb -0.05 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2k20 s VAL 63 CO -0.00 -0.02 0.00 0.59 0.00 0.00 0.00 175.10 175.67 2k20 n ASN 64 N -1.49 0.00 -4.63 3.32 3.02 0.85 -4.90 115.26 111.42 2k20 n ASN 64 Ca 0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.26 2k20 n ASN 64 Cb 0.47 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 2k20 n ASN 64 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2k20 s ASP 65 N -3.09 6.24 0.23 6.41 1.11 -1.11 -4.49 116.67 121.98 2k20 s ASP 65 Ca 0.00 1.85 -0.30 0.00 0.18 0.00 0.00 52.55 54.28 2k20 s ASP 65 Cb 0.00 -2.53 -0.09 0.00 1.07 0.00 0.00 42.92 41.37 2k20 s ASP 65 CO 0.00 -1.34 1.30 -1.58 1.18 0.00 0.00 175.17 174.74 2k20 s GLN 66 N 4.91 4.39 0.10 8.23 -0.44 -0.31 -2.00 119.66 134.54 2k20 s GLN 66 Ca 0.79 2.08 -0.21 0.00 -2.50 0.00 0.00 55.36 55.52 2k20 s GLN 66 Cb -0.29 -3.17 -0.07 0.00 -1.64 0.00 0.00 33.01 27.84 2k20 s GLN 66 CO 0.32 -0.22 0.63 -0.51 0.50 0.00 0.00 175.29 176.01 2k20 s LEU 67 N -0.53 4.55 0.00 3.68 1.43 0.14 0.53 118.68 128.47 2k20 s LEU 67 Ca 0.55 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 2k20 s LEU 67 Cb -0.37 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 42.84 2k20 s LEU 67 CO 0.41 0.25 0.00 -0.38 0.23 0.00 0.00 176.35 176.87 2k20 n ILE 68 N 1.71 0.00 -3.79 -0.59 5.41 0.24 -4.60 119.36 117.74 2k20 n ILE 68 Ca -0.09 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.53 2k20 n ILE 68 Cb 0.50 -0.85 -0.10 0.00 -0.71 0.00 0.00 39.64 38.48 2k20 n ILE 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k20 s ALA 69 N -1.94 -0.65 -0.05 -1.39 0.00 -0.93 0.82 121.76 117.63 2k20 s ALA 69 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.41 2k20 s ALA 69 Cb 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.99 2k20 s ALA 69 CO 0.00 -0.19 -0.07 0.54 0.00 0.00 0.00 175.76 176.04 2k20 s VAL 70 N -0.69 0.72 -1.82 0.00 0.11 -0.13 -0.61 120.40 117.99 2k20 s VAL 70 Ca -0.08 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 2k20 s VAL 70 Cb -0.04 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 2k20 s VAL 70 CO 0.02 0.26 0.00 0.59 -3.33 0.00 0.00 175.10 172.64 2k20 n ASN 71 N 3.95 -5.58 0.00 3.54 3.02 -0.59 -1.33 115.26 118.27 2k20 n ASN 71 Ca -0.25 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2k20 n ASN 71 Cb 0.51 -4.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 2k20 n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k20 n GLY 72 N -0.87 0.42 2.79 7.41 0.00 -1.26 -4.91 105.19 108.76 2k20 n GLY 72 Ca -0.22 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 2k20 n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k20 s GLU 73 N -2.62 0.91 0.77 1.61 2.02 -0.44 -5.12 118.70 115.83 2k20 s GLU 73 Ca 0.00 -0.66 -0.14 0.00 0.02 0.00 0.00 54.97 54.19 2k20 s GLU 73 Cb 0.00 -2.22 0.06 0.00 0.10 0.00 0.00 34.13 32.06 2k20 s GLU 73 CO 0.00 -0.68 1.16 0.45 0.02 0.00 0.00 175.26 176.22 2k20 n SER 74 N 4.92 1.04 -0.00 -0.19 2.88 -1.26 -0.96 113.62 120.05 2k20 n SER 74 Ca -0.09 0.63 0.02 0.00 -1.33 0.00 0.00 58.87 58.10 2k20 n SER 74 Cb 0.46 -1.49 -0.03 0.00 -0.75 0.00 0.00 64.21 62.39 2k20 n SER 74 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k20 n LEU 75 N -2.78 0.09 -0.29 2.46 4.77 0.24 -4.68 117.00 116.81 2k20 n LEU 75 Ca 0.14 -0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 2k20 n LEU 75 Cb 0.50 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.87 2k20 n LEU 75 CO 0.48 0.02 0.97 -0.07 -1.33 0.00 0.00 177.39 177.47 2k20 h LEU 76 N 0.00 0.10 -1.46 2.23 -0.00 -1.89 0.33 115.31 114.62 2k20 h LEU 76 Ca 0.00 0.18 0.07 0.00 -0.00 0.00 0.00 57.88 58.12 2k20 h LEU 76 Cb 0.16 0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 41.00 2k20 h LEU 76 CO 0.00 -0.10 0.44 1.23 -0.00 0.00 0.00 178.44 180.01 2k20 h GLY 77 N 0.27 0.83 -2.53 0.83 0.00 -1.93 -3.43 103.07 97.12 2k20 h GLY 77 Ca 0.54 -0.26 -0.44 0.00 0.00 0.00 0.00 47.33 47.16 2k20 h GLY 77 CO -0.60 0.19 -0.31 -1.59 0.00 0.00 0.00 176.54 174.23 2k20 s LYS 78 N -5.59 2.88 1.09 4.80 -2.85 0.12 -5.11 119.74 115.07 2k20 s LYS 78 Ca -0.09 -1.21 -0.16 0.00 -1.00 0.00 0.00 55.97 53.51 2k20 s LYS 78 Cb 0.19 -2.71 0.24 0.00 -2.06 0.00 0.00 37.83 33.49 2k20 s LYS 78 CO 0.76 -0.13 1.13 0.00 0.10 0.00 0.00 175.35 177.21 2k20 s ALA 79 N -2.31 0.97 0.01 0.59 0.00 -1.26 -4.74 121.76 115.02 2k20 s ALA 79 Ca 0.50 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 2k20 s ALA 79 Cb -0.09 -2.95 -0.18 0.00 0.00 0.00 0.00 23.12 19.90 2k20 s ALA 79 CO 0.31 -3.14 1.31 -2.95 0.00 0.00 0.00 175.76 171.30 2k20 h ASN 80 N -2.19 -0.17 -0.89 0.00 7.08 -1.89 0.53 115.58 118.04 2k20 h ASN 80 Ca -0.48 -0.27 0.04 0.00 -3.08 0.00 0.00 56.30 52.52 2k20 h ASN 80 Cb 1.30 0.04 -0.06 0.00 -2.08 0.00 0.00 38.32 37.53 2k20 h ASN 80 CO 0.44 0.19 0.57 0.06 -2.08 0.00 0.00 177.43 176.61 2k20 h GLN 81 N -0.55 1.05 -0.27 4.14 -0.00 -1.95 0.82 115.11 118.36 2k20 h GLN 81 Ca -0.02 -0.06 -0.16 0.00 -0.00 0.00 0.00 58.65 58.41 2k20 h GLN 81 Cb 0.42 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.48 27.66 2k20 h GLN 81 CO 0.03 0.70 -0.47 0.93 -0.00 0.00 0.00 178.83 180.02 2k20 h GLU 82 N 1.09 0.72 -0.20 0.06 4.39 -1.92 -1.54 114.58 117.17 2k20 h GLU 82 Ca 0.37 -0.42 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 2k20 h GLU 82 Cb 0.07 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2k20 h GLU 82 CO -0.14 1.04 -0.24 0.00 -1.16 0.00 0.00 179.01 178.51 2k20 h ALA 83 N 0.89 1.21 -0.05 3.43 0.00 0.13 0.39 119.26 125.27 2k20 h ALA 83 Ca 0.03 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 2k20 h ALA 83 Cb 1.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2k20 h ALA 83 CO 0.10 0.51 -0.64 1.98 0.00 0.00 0.00 179.25 181.20 2k20 h MET 84 N 0.33 0.20 0.09 0.00 1.85 0.87 -1.27 114.93 116.99 2k20 h MET 84 Ca 0.05 -0.14 -0.26 0.00 -0.61 0.00 0.00 59.70 58.74 2k20 h MET 84 Cb 0.61 0.02 0.01 0.00 0.43 0.00 0.00 31.60 32.67 2k20 h MET 84 CO 0.04 0.77 -1.14 1.49 -0.40 0.00 0.00 176.91 177.67 2k20 h GLU 85 N 0.14 0.33 -0.31 0.39 4.57 -0.74 -1.33 114.58 117.62 2k20 h GLU 85 Ca -0.01 -0.47 -0.10 0.00 -1.18 0.00 0.00 59.36 57.60 2k20 h GLU 85 Cb 1.16 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 2k20 h GLU 85 CO 0.10 1.18 -0.22 1.15 -1.18 0.00 0.00 179.01 180.04 2k20 h THR 86 N 0.13 1.27 0.06 0.32 2.02 -0.10 0.65 112.91 117.25 2k20 h THR 86 Ca -0.12 -1.27 -0.24 0.00 0.77 0.00 0.00 66.41 65.56 2k20 h THR 86 Cb 1.83 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.51 2k20 h THR 86 CO 0.19 0.41 -1.06 0.17 0.37 0.00 0.00 175.52 175.60 2k20 h LEU 87 N 0.53 0.33 0.07 2.58 8.10 -1.25 -0.79 115.31 124.87 2k20 h LEU 87 Ca 0.08 -0.31 -0.00 0.00 0.11 0.00 0.00 57.88 57.75 2k20 h LEU 87 Cb 0.67 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.79 2k20 h LEU 87 CO 0.05 1.19 -0.03 -0.09 -4.11 0.00 0.00 178.44 175.44 2k20 h ARG 88 N 0.09 -0.09 -0.08 0.17 2.43 -0.89 0.91 114.38 116.91 2k20 h ARG 88 Ca -0.08 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.92 2k20 h ARG 88 Cb 1.75 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.32 2k20 h ARG 88 CO 0.17 0.09 -0.69 0.07 -1.51 0.00 0.00 179.97 178.09 2k20 h ARG 89 N -0.26 0.38 -0.04 0.20 -0.00 -0.96 -0.19 114.38 113.52 2k20 h ARG 89 Ca -0.01 -0.30 -0.14 0.00 -0.00 0.00 0.00 59.98 59.53 2k20 h ARG 89 Cb 0.22 0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.24 2k20 h ARG 89 CO 0.02 0.93 -0.62 0.77 -0.00 0.00 0.00 179.97 181.07 2k20 h SER 90 N 0.27 0.16 1.12 0.08 0.02 -1.02 0.12 113.55 114.29 2k20 h SER 90 Ca -0.02 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2k20 h SER 90 Cb 1.25 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2k20 h SER 90 CO 0.12 0.74 -0.76 0.00 -1.14 0.00 0.00 176.83 175.79 2k20 h MET 91 N 0.10 0.00 -0.09 3.45 -0.00 0.95 1.34 114.93 120.67 2k20 h MET 91 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2k20 h MET 91 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.71 2k20 h MET 91 CO 0.09 0.00 0.00 0.45 -0.00 0.00 0.00 176.91 177.45 2k20 n SER 92 N -2.60 2.76 0.00 -0.10 2.88 -0.09 -4.03 113.62 112.44 2k20 n SER 92 Ca 0.01 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 2k20 n SER 92 Cb 0.52 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2k20 n SER 92 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2k20 n THR 93 N -0.95 0.00 -0.10 2.46 5.66 0.02 -4.91 114.28 116.45 2k20 n THR 93 Ca 0.15 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.99 2k20 n THR 93 Cb 0.65 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.34 2k20 n THR 93 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k20 n GLU 94 N -1.30 0.51 -0.09 1.09 1.02 -1.03 -4.08 120.64 116.75 2k20 n GLU 94 Ca 0.00 0.14 -0.09 0.00 -0.02 0.00 0.00 57.16 57.19 2k20 n GLU 94 Cb 0.00 -1.39 0.06 0.00 -0.02 0.00 0.00 31.44 30.10 2k20 n GLU 94 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2k20 h GLY 95 N 1.11 0.86 1.66 0.62 0.00 0.15 -2.85 103.07 104.62 2k20 h GLY 95 Ca -0.48 -0.78 -0.09 0.00 0.00 0.00 0.00 47.33 45.98 2k20 h GLY 95 CO -0.13 0.71 -0.26 -0.57 0.00 0.00 0.00 176.54 176.30 2k20 h ASN 96 N 0.68 0.40 -0.57 0.19 -0.00 -1.77 -0.23 115.58 114.28 2k20 h ASN 96 Ca 0.08 -0.13 0.10 0.00 -0.00 0.00 0.00 56.30 56.35 2k20 h ASN 96 Cb 0.81 -0.11 -0.10 0.00 -0.00 0.00 0.00 38.32 38.92 2k20 h ASN 96 CO 0.07 0.66 -0.18 0.29 -0.00 0.00 0.00 177.43 178.27 2k20 n LYS 97 N -4.13 -0.09 -0.02 6.67 4.76 -1.08 0.11 118.16 124.39 2k20 n LYS 97 Ca -0.01 0.89 -0.04 0.00 -2.87 0.00 0.00 58.31 56.28 2k20 n LYS 97 Cb 0.40 -1.32 -0.13 0.00 -1.84 0.00 0.00 35.03 32.14 2k20 n LYS 97 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2k20 n ARG 98 N -4.89 0.65 0.00 1.97 0.00 -1.22 -4.98 116.66 108.19 2k20 n ARG 98 Ca 0.08 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 58.06 2k20 n ARG 98 Cb 0.26 -1.69 0.00 0.00 -0.00 0.00 0.00 32.46 31.03 2k20 n ARG 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k20 n GLY 99 N 1.52 0.77 3.61 2.89 0.00 0.31 -5.05 105.19 109.24 2k20 n GLY 99 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 2k20 n GLY 99 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2k20 s MET 100 N 0.00 0.82 -0.06 1.61 0.23 -0.12 -1.02 119.30 120.76 2k20 s MET 100 Ca 0.00 0.74 0.04 0.00 -1.03 0.00 0.00 55.69 55.44 2k20 s MET 100 Cb 0.00 0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 33.67 2k20 s MET 100 CO 0.00 -0.14 -0.15 -1.50 -2.03 0.00 0.00 175.02 171.19 2k20 s ILE 101 N -0.04 2.95 0.47 3.16 2.07 0.41 -4.54 121.20 125.67 2k20 s ILE 101 Ca -0.02 -0.76 -0.21 0.00 -1.41 0.00 0.00 60.65 58.26 2k20 s ILE 101 Cb -0.04 -2.15 -0.09 0.00 0.13 0.00 0.00 42.46 40.31 2k20 s ILE 101 CO 0.02 0.58 1.01 0.00 -1.91 0.00 0.00 174.94 174.64 2k20 s GLN 102 N -0.57 3.94 -0.16 3.50 1.03 -1.26 0.06 119.66 126.19 2k20 s GLN 102 Ca 0.08 1.29 -0.05 0.00 0.04 0.00 0.00 55.36 56.73 2k20 s GLN 102 Cb -0.11 -2.13 0.06 0.00 0.03 0.00 0.00 33.01 30.86 2k20 s GLN 102 CO 0.01 -0.30 0.11 -0.51 -2.54 0.00 0.00 175.29 172.06 2k20 s LEU 103 N -3.37 0.23 -0.38 2.60 1.43 0.15 -1.54 118.68 117.81 2k20 s LEU 103 Ca 0.65 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 53.15 2k20 s LEU 103 Cb -0.14 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 45.97 2k20 s LEU 103 CO 0.18 -0.33 0.34 -0.63 0.23 0.00 0.00 176.35 176.13 2k20 s ILE 104 N 2.18 5.20 0.14 -0.59 1.01 0.22 0.15 121.20 129.50 2k20 s ILE 104 Ca 0.03 -0.28 0.09 0.00 0.00 0.00 0.00 60.65 60.49 2k20 s ILE 104 Cb -0.15 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2k20 s ILE 104 CO -0.09 -0.21 -0.21 0.68 0.00 0.00 0.00 174.94 175.12 2k20 s VAL 105 N 1.90 1.85 0.08 2.92 -7.23 0.94 0.80 120.40 121.66 2k20 s VAL 105 Ca 0.09 -1.75 0.08 0.00 -1.81 0.00 0.00 61.98 58.59 2k20 s VAL 105 Cb -0.17 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 2k20 s VAL 105 CO 0.11 -0.16 -0.21 0.00 -0.31 0.00 0.00 175.10 174.54 2k20 s ALA 106 N -1.55 1.78 0.29 1.32 0.00 0.19 0.15 121.76 123.94 2k20 s ALA 106 Ca 0.12 -1.17 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 2k20 s ALA 106 Cb -0.08 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.79 2k20 s ALA 106 CO 0.06 0.37 0.76 -0.98 0.00 0.00 0.00 175.76 175.97 2k20 s ARG 107 N -1.64 1.83 -0.08 0.00 1.04 -0.89 -1.16 118.95 118.06 2k20 s ARG 107 Ca 0.07 -1.05 -0.15 0.00 -1.04 0.00 0.00 55.73 53.56 2k20 s ARG 107 Cb -0.10 0.60 -0.05 0.00 -2.04 0.00 0.00 34.95 33.36 2k20 s ARG 107 CO 0.03 -0.84 0.37 1.03 -0.04 0.00 0.00 175.30 175.85 2k20 s ARG 108 N -3.53 4.07 -0.12 3.89 0.52 -1.26 -1.28 118.95 121.24 2k20 s ARG 108 Ca 0.12 0.30 -0.29 0.00 -0.52 0.00 0.00 55.73 55.34 2k20 s ARG 108 Cb -0.05 -3.32 -0.06 0.00 0.52 0.00 0.00 34.95 32.03 2k20 s ARG 108 CO 0.08 0.46 1.97 0.42 0.02 0.00 0.00 175.30 178.24 2k20 s ILE 109 N -0.28 3.19 0.00 1.52 1.01 0.54 -4.96 121.20 122.22 2k20 s ILE 109 Ca 0.22 0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2k20 s ILE 109 Cb -0.15 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2k20 s ILE 109 CO 0.09 -0.08 0.05 -0.24 0.00 0.00 0.00 174.94 174.77