#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 1.53 -3.76 2.61 -2.24 -1.26 -5.01 114.28 106.15 2k20 n THR 8 Ca 0.00 -1.90 -0.36 0.00 -2.27 0.00 0.00 64.05 59.52 2k20 n THR 8 Cb 0.00 -0.08 -0.12 0.00 -2.10 0.00 0.00 70.33 68.03 2k20 n THR 8 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k20 s ARG 9 N -2.32 3.75 0.20 -0.78 0.52 -1.26 0.68 118.95 119.74 2k20 s ARG 9 Ca 0.27 -0.43 -0.03 0.00 -0.52 0.00 0.00 55.73 55.01 2k20 s ARG 9 Cb 0.24 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 2k20 s ARG 9 CO 0.01 -0.12 0.18 -1.83 0.02 0.00 0.00 175.30 173.56 2k20 s GLU 10 N 1.47 1.21 0.08 3.54 1.03 -0.34 -4.98 118.70 120.71 2k20 s GLU 10 Ca 0.06 -1.52 0.06 0.00 0.03 0.00 0.00 54.97 53.60 2k20 s GLU 10 Cb -0.15 0.30 -0.04 0.00 -0.80 0.00 0.00 34.13 33.45 2k20 s GLU 10 CO 0.05 -0.41 -0.09 -0.59 -1.33 0.00 0.00 175.26 172.88 2k20 s PHE 11 N -4.11 2.78 -0.11 4.83 -0.12 -1.26 -0.90 117.98 119.08 2k20 s PHE 11 Ca 0.33 -0.13 -0.00 0.00 -0.05 0.00 0.00 56.93 57.08 2k20 s PHE 11 Cb 0.06 -1.48 0.02 0.00 -0.63 0.00 0.00 43.02 40.99 2k20 s PHE 11 CO 0.09 0.41 -0.08 -0.51 -0.05 0.00 0.00 175.22 175.08 2k20 s LEU 12 N -1.99 1.25 0.29 -1.99 1.02 0.23 -4.93 118.68 112.55 2k20 s LEU 12 Ca 0.20 -0.31 -0.22 0.00 0.02 0.00 0.00 54.13 53.82 2k20 s LEU 12 Cb -0.11 -0.86 -0.09 0.00 0.02 0.00 0.00 46.19 45.15 2k20 s LEU 12 CO 0.12 -0.10 0.82 -0.89 0.02 0.00 0.00 176.35 176.32 2k20 s THR 13 N 1.62 4.43 0.22 5.49 2.01 -1.26 -1.06 115.64 127.09 2k20 s THR 13 Ca 0.04 1.47 -0.00 0.00 0.31 0.00 0.00 61.69 63.50 2k20 s THR 13 Cb -0.13 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2k20 s THR 13 CO -0.08 0.10 0.17 -0.36 -0.69 0.00 0.00 174.62 173.77 2k20 s PHE 14 N -1.65 1.20 -0.21 4.92 0.08 0.42 -4.93 117.98 117.81 2k20 s PHE 14 Ca 0.48 -1.39 -0.05 0.00 0.12 0.00 0.00 56.93 56.10 2k20 s PHE 14 Cb -0.16 -0.54 0.07 0.00 -0.57 0.00 0.00 43.02 41.82 2k20 s PHE 14 CO 0.21 -0.69 0.11 -1.21 -0.10 0.00 0.00 175.22 173.53 2k20 s GLU 15 N -4.04 0.10 -0.28 0.44 8.01 -1.26 0.34 118.70 122.01 2k20 s GLU 15 Ca 0.38 -0.21 -0.08 0.00 0.01 0.00 0.00 54.97 55.07 2k20 s GLU 15 Cb 0.06 -1.61 -0.02 0.00 -4.31 0.00 0.00 34.13 28.25 2k20 s GLU 15 CO 0.14 -0.78 0.10 0.08 0.01 0.00 0.00 175.26 174.82 2k20 s VAL 16 N 2.13 4.40 -0.10 2.63 1.01 0.61 -4.89 120.40 126.18 2k20 s VAL 16 Ca 0.04 -0.32 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 2k20 s VAL 16 Cb -0.16 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2k20 s VAL 16 CO -0.17 0.20 0.71 -2.16 0.00 0.00 0.00 175.10 173.68 2k20 s PRO 17 N 1.60 4.39 -0.17 2.72 0.04 -1.26 0.16 135.00 142.48 2k20 s PRO 17 Ca 0.05 0.86 0.14 0.00 0.04 0.00 0.00 61.00 62.09 2k20 s PRO 17 Cb -0.16 -3.48 0.40 0.00 0.04 0.00 0.00 34.50 31.29 2k20 s PRO 17 CO 0.05 -0.03 1.20 1.47 0.04 0.00 0.00 177.00 179.73 2k20 n LEU 18 N 4.16 2.41 -0.66 -3.56 -0.00 0.28 -4.49 117.00 115.15 2k20 n LEU 18 Ca -0.01 -3.53 0.51 0.00 -0.00 0.00 0.00 56.01 52.98 2k20 n LEU 18 Cb 0.51 -0.44 0.81 0.00 -0.00 0.00 0.00 43.42 44.29 2k20 n LEU 18 CO 0.47 1.20 1.46 -0.55 -0.00 0.00 0.00 177.39 179.96 2k20 h ASN 19 N 0.86 0.02 0.00 1.45 -1.07 -1.92 0.84 115.58 115.76 2k20 h ASN 19 Ca -0.03 0.01 -0.13 0.00 0.07 0.00 0.00 56.30 56.23 2k20 h ASN 19 Cb 1.12 0.01 -0.02 0.00 -2.07 0.00 0.00 38.32 37.35 2k20 h ASN 19 CO 0.01 -0.02 -1.49 0.47 0.07 0.00 0.00 177.43 176.47 2k20 n ASP 20 N -4.03 3.26 0.00 6.14 8.00 -1.26 -4.50 116.55 124.16 2k20 n ASP 20 Ca 0.42 -0.01 0.08 0.00 0.71 0.00 0.00 54.79 55.99 2k20 n ASP 20 Cb 1.91 0.47 0.39 0.00 -0.02 0.00 0.00 41.12 43.87 2k20 n ASP 20 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2k20 n SER 21 N -2.39 0.00 -0.57 -2.24 2.88 0.34 -3.62 113.62 108.03 2k20 n SER 21 Ca -0.13 0.14 0.47 0.00 -1.33 0.00 0.00 58.87 58.03 2k20 n SER 21 Cb 0.72 -0.33 0.80 0.00 -0.75 0.00 0.00 64.21 64.65 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 2.68 0.01 1.02 0.46 0.00 0.34 1.07 103.07 108.65 2k20 h GLY 22 Ca 0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2k20 h GLY 22 CO 0.00 -0.00 -1.60 1.76 0.00 0.00 0.00 176.54 176.70 2k20 h SER 23 N 0.00 0.70 0.58 0.19 0.02 -1.85 -3.28 113.55 109.91 2k20 h SER 23 Ca 0.81 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2k20 h SER 23 Cb 3.25 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 65.56 2k20 h SER 23 CO -0.01 1.74 0.00 0.00 -1.14 0.00 0.00 176.83 177.42 2k20 n ALA 24 N -2.81 2.48 0.00 3.77 0.00 0.30 -4.92 120.51 119.33 2k20 n ALA 24 Ca -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2k20 n ALA 24 Cb 1.07 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 1.29 2.15 0.00 0.00 0.00 0.28 -3.73 105.19 105.18 2k20 n GLY 25 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.68 117.00 120.02 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 0.00 0.58 3.44 -3.96 0.00 -1.24 0.21 105.19 104.21 2k20 n GLY 27 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.87 0.01 -0.31 1.61 -7.23 -1.26 0.30 120.40 112.66 2k20 s VAL 28 Ca 0.00 -0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 60.02 2k20 s VAL 28 Cb 0.00 -0.99 0.04 0.00 0.56 0.00 0.00 36.38 35.99 2k20 s VAL 28 CO 0.00 -0.06 0.04 -0.44 -0.31 0.00 0.00 175.10 174.33 2k20 s SER 29 N -1.96 5.00 -0.05 4.85 0.01 0.20 -4.86 113.70 116.89 2k20 s SER 29 Ca -0.05 -1.12 -0.01 0.00 1.31 0.00 0.00 55.95 56.08 2k20 s SER 29 Cb -0.01 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 2k20 s SER 29 CO -0.01 -0.26 0.01 0.68 0.41 0.00 0.00 173.24 174.07 2k20 s VAL 30 N 1.34 4.31 -0.10 3.43 -7.23 -1.26 0.14 120.40 121.04 2k20 s VAL 30 Ca -0.03 -0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 59.73 2k20 s VAL 30 Cb -0.19 -2.86 0.05 0.00 0.56 0.00 0.00 36.38 33.94 2k20 s VAL 30 CO 0.00 0.51 0.23 -1.59 -0.31 0.00 0.00 175.10 173.94 2k20 s LYS 31 N -1.17 0.18 0.37 4.82 0.00 -0.96 -4.88 119.74 118.10 2k20 s LYS 31 Ca 0.16 0.51 -0.03 0.00 0.00 0.00 0.00 55.97 56.60 2k20 s LYS 31 Cb -0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 37.83 37.54 2k20 s LYS 31 CO 0.06 -0.17 0.63 0.20 0.00 0.00 0.00 175.35 176.07 2k20 s GLY 32 N 1.28 1.57 0.48 0.59 0.00 -1.26 -2.00 107.32 107.98 2k20 s GLY 32 Ca -0.09 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.00 2k20 s GLY 32 CO -0.08 -0.54 0.22 0.70 0.00 0.00 0.00 173.10 173.40 2k20 n ASN 33 N -1.63 2.87 -4.09 1.64 5.03 -0.82 -4.97 115.26 113.29 2k20 n ASN 33 Ca -0.02 -2.84 -0.12 0.00 0.87 0.00 0.00 54.58 52.47 2k20 n ASN 33 Cb 0.55 0.11 -0.11 0.00 -1.02 0.00 0.00 39.78 39.31 2k20 n ASN 33 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2k20 s ARG 34 N -3.89 0.61 0.45 3.52 0.52 -1.26 -0.48 118.95 118.43 2k20 s ARG 34 Ca 0.17 -0.91 -0.24 0.00 -0.52 0.00 0.00 55.73 54.23 2k20 s ARG 34 Cb -0.01 -0.27 -0.09 0.00 0.52 0.00 0.00 34.95 35.10 2k20 s ARG 34 CO 0.11 0.03 1.08 0.43 0.02 0.00 0.00 175.30 176.97 2k20 n SER 35 N 1.06 1.57 0.06 0.23 7.64 0.29 -4.81 113.62 119.66 2k20 n SER 35 Ca -0.20 1.02 -0.00 0.00 1.01 0.00 0.00 58.87 60.69 2k20 n SER 35 Cb 0.56 -1.40 0.29 0.00 -1.01 0.00 0.00 64.21 62.65 2k20 n SER 35 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2k20 h LYS 36 N 1.52 0.37 0.00 1.43 -0.00 -2.00 -3.34 116.57 114.55 2k20 h LYS 36 Ca -0.46 -0.11 0.00 0.00 -0.00 0.00 0.00 60.65 60.08 2k20 h LYS 36 Cb 1.33 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.52 2k20 h LYS 36 CO 0.57 0.54 -0.02 1.49 -0.00 0.00 0.00 179.45 182.03 2k20 h GLU 37 N 0.35 0.00 0.00 0.07 4.81 -1.98 -3.49 114.58 114.34 2k20 h GLU 37 Ca 0.06 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 2k20 h GLU 37 Cb 0.51 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.91 2k20 h GLU 37 CO 0.03 0.00 0.02 0.09 -0.73 0.00 0.00 179.01 178.43 2k20 n ASN 38 N -2.48 0.54 -2.13 1.04 3.02 -1.25 -5.01 115.26 108.99 2k20 n ASN 38 Ca -0.00 -1.44 -0.23 0.00 -0.03 0.00 0.00 54.58 52.88 2k20 n ASN 38 Cb 0.01 -0.21 0.17 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.79 2.88 -2.84 3.10 8.25 -1.26 -3.69 115.22 119.87 2k20 n HIS 39 Ca 0.06 -1.95 -0.41 0.00 -0.26 0.00 0.00 57.72 55.15 2k20 n HIS 39 Cb 0.21 -0.95 -0.04 0.00 1.12 0.00 0.00 29.99 30.33 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 -3.35 3.30 0.60 -1.41 0.00 -1.26 -4.76 121.76 114.88 2k20 s ALA 40 Ca 0.56 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 2k20 s ALA 40 Cb 0.47 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2k20 s ALA 40 CO 0.08 -0.31 1.13 -0.40 0.00 0.00 0.00 175.76 176.26 2k20 n ASP 41 N 4.23 1.48 -0.30 0.00 5.75 -1.26 0.11 116.55 126.55 2k20 n ASP 41 Ca 0.04 0.85 0.04 0.00 -0.01 0.00 0.00 54.79 55.71 2k20 n ASP 41 Cb 0.50 -1.47 0.03 0.00 -1.03 0.00 0.00 41.12 39.15 2k20 n ASP 41 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2k20 n LEU 42 N -1.10 1.55 0.00 -2.12 4.77 0.37 -4.68 117.00 115.79 2k20 n LEU 42 Ca 0.14 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2k20 n LEU 42 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2k20 n LEU 42 CO 0.49 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2k20 n GLY 43 N 0.53 2.19 3.68 -0.72 0.00 -1.26 -4.87 105.19 104.74 2k20 n GLY 43 Ca 0.04 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.02 4.95 0.05 -0.61 -0.00 -1.26 -1.94 121.20 120.37 2k20 s ILE 44 Ca 0.00 0.02 0.09 0.00 -0.00 0.00 0.00 60.65 60.76 2k20 s ILE 44 Cb 0.00 -3.22 -0.03 0.00 -0.00 0.00 0.00 42.46 39.21 2k20 s ILE 44 CO 0.00 0.48 -0.25 -0.36 -0.00 0.00 0.00 174.94 174.80 2k20 s PHE 45 N 0.19 2.35 -0.38 1.37 0.40 -0.85 0.44 117.98 121.50 2k20 s PHE 45 Ca 0.05 -0.39 -0.27 0.00 -0.60 0.00 0.00 56.93 55.72 2k20 s PHE 45 Cb -0.12 -1.39 -0.06 0.00 0.51 0.00 0.00 43.02 41.97 2k20 s PHE 45 CO 0.00 0.16 2.29 0.08 0.70 0.00 0.00 175.22 178.45 2k20 s VAL 46 N -0.84 3.04 0.06 -0.44 1.01 -0.50 -2.27 120.40 120.45 2k20 s VAL 46 Ca 0.12 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 2k20 s VAL 46 Cb -0.10 -3.07 -0.18 0.00 0.00 0.00 0.00 36.38 33.03 2k20 s VAL 46 CO 0.03 -0.06 1.24 0.50 0.00 0.00 0.00 175.10 176.81 2k20 h LYS 47 N 17.32 0.62 -1.33 2.72 1.63 0.97 0.26 116.57 138.76 2k20 h LYS 47 Ca -0.32 -0.52 0.14 0.00 -0.85 0.00 0.00 60.65 59.11 2k20 h LYS 47 Cb 1.25 0.11 -0.23 0.00 -0.60 0.00 0.00 32.23 32.77 2k20 h LYS 47 CO 1.07 1.14 0.09 0.45 -3.45 0.00 0.00 179.45 178.76 2k20 s SER 48 N -6.85 -0.78 -0.29 4.20 0.15 -0.84 -4.82 113.70 104.47 2k20 s SER 48 Ca -0.12 1.05 -0.25 0.00 0.70 0.00 0.00 55.95 57.34 2k20 s SER 48 Cb 0.06 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 66.26 2k20 s SER 48 CO 0.86 -0.15 0.84 -0.63 1.20 0.00 0.00 173.24 175.36 2k20 s ILE 49 N 2.62 4.76 -0.39 6.45 1.01 -1.26 0.62 121.20 135.01 2k20 s ILE 49 Ca -0.03 1.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.69 2k20 s ILE 49 Cb -0.08 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.12 2k20 s ILE 49 CO -0.18 -0.24 2.30 -0.38 0.00 0.00 0.00 174.94 176.45 2k20 n ILE 50 N 5.51 0.15 -1.22 2.92 -0.00 0.15 -4.79 119.36 122.08 2k20 n ILE 50 Ca 0.05 -0.46 -0.34 0.00 -0.00 0.00 0.00 62.75 62.00 2k20 n ILE 50 Cb 0.48 -2.20 -0.09 0.00 -0.00 0.00 0.00 39.64 37.83 2k20 n ILE 50 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2k20 n ASN 51 N 12.21 1.87 0.00 4.38 0.23 -1.26 -1.48 115.26 131.22 2k20 n ASN 51 Ca 0.38 -2.58 0.00 0.00 -0.53 0.00 0.00 54.58 51.85 2k20 n ASN 51 Cb 0.38 -1.18 0.00 0.00 -2.08 0.00 0.00 39.78 36.90 2k20 n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k20 n GLY 52 N 5.29 0.28 0.00 4.83 0.00 -1.26 -5.06 105.19 109.26 2k20 n GLY 52 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.06 0.22 -0.02 0.00 -0.55 -4.69 105.19 98.09 2k20 n GLY 53 Ca 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.00 0.39 -0.44 4.61 0.00 0.22 -1.85 119.26 120.18 2k20 h ALA 54 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2k20 h ALA 54 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2k20 h ALA 54 CO 0.00 0.54 0.06 0.00 0.00 0.00 0.00 179.25 179.85 2k20 h ALA 55 N 0.64 0.59 -0.33 0.00 0.00 0.48 0.90 119.26 121.54 2k20 h ALA 55 Ca 0.01 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2k20 h ALA 55 Cb 1.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2k20 h ALA 55 CO 0.10 0.32 -0.23 0.77 0.00 0.00 0.00 179.25 180.21 2k20 h SER 56 N 0.60 0.64 0.09 0.00 0.02 -1.71 -2.65 113.55 110.54 2k20 h SER 56 Ca 0.13 -0.22 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 2k20 h SER 56 Cb 0.40 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2k20 h SER 56 CO 0.01 0.86 -0.38 0.11 -1.14 0.00 0.00 176.83 176.29 2k20 h LYS 57 N 0.56 0.39 0.00 3.45 1.57 -1.06 -2.64 116.57 118.84 2k20 h LYS 57 Ca 0.08 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2k20 h LYS 57 Cb 0.70 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 2k20 h LYS 57 CO 0.05 0.71 -0.01 0.22 -0.57 0.00 0.00 179.45 179.86 2k20 h ASP 58 N 0.33 0.00 -2.47 0.86 3.58 -0.45 -3.46 116.42 114.81 2k20 h ASP 58 Ca 0.03 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.09 2k20 h ASP 58 Cb 0.82 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.81 2k20 h ASP 58 CO 0.07 0.01 -0.46 0.61 -2.88 0.00 0.00 179.24 176.59 2k20 n GLY 59 N -1.36 0.26 0.00 -0.78 0.00 -1.00 -4.79 105.19 97.53 2k20 n GLY 59 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2k20 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k20 n ARG 60 N -2.76 3.23 -2.49 1.61 1.74 -1.26 -5.06 116.66 111.68 2k20 n ARG 60 Ca -0.22 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.53 2k20 n ARG 60 Cb 0.66 -0.97 -0.03 0.00 -1.02 0.00 0.00 32.46 31.11 2k20 n ARG 60 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k20 s LEU 61 N -3.64 3.79 -0.10 0.55 1.02 -1.26 -5.07 118.68 113.96 2k20 s LEU 61 Ca 0.00 1.85 -0.06 0.00 0.02 0.00 0.00 54.13 55.94 2k20 s LEU 61 Cb 0.00 -4.55 0.04 0.00 0.02 0.00 0.00 46.19 41.70 2k20 s LEU 61 CO 0.00 -0.77 0.25 -0.13 0.02 0.00 0.00 176.35 175.71 2k20 s ARG 62 N -3.42 0.22 0.41 1.70 3.00 -1.26 -4.99 118.95 114.60 2k20 s ARG 62 Ca 0.65 0.50 -0.26 0.00 0.00 0.00 0.00 55.73 56.62 2k20 s ARG 62 Cb -0.15 -0.08 -0.10 0.00 0.00 0.00 0.00 34.95 34.62 2k20 s ARG 62 CO 0.23 -0.14 1.34 0.28 0.00 0.00 0.00 175.30 177.01 2k20 n VAL 63 N 4.04 2.41 -0.50 3.52 0.31 -1.26 -2.90 118.33 123.94 2k20 n VAL 63 Ca -0.23 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 2k20 n VAL 63 Cb 0.54 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 2k20 n VAL 63 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2k20 n ASN 64 N 0.27 -1.51 -4.56 4.52 3.02 0.91 -4.94 115.26 112.98 2k20 n ASN 64 Ca 0.05 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.24 2k20 n ASN 64 Cb 0.39 -0.25 -0.11 0.00 -0.61 0.00 0.00 39.78 39.20 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 -2.37 5.60 0.13 6.41 1.11 -1.14 -4.79 116.67 121.61 2k20 s ASP 65 Ca 0.00 -0.04 -0.28 0.00 0.18 0.00 0.00 52.55 52.41 2k20 s ASP 65 Cb 0.00 -2.00 -0.07 0.00 1.07 0.00 0.00 42.92 41.92 2k20 s ASP 65 CO 0.00 0.03 0.89 0.00 1.18 0.00 0.00 175.17 177.28 2k20 s GLN 66 N 1.23 4.67 -0.05 8.23 1.03 -0.81 -1.42 119.66 132.54 2k20 s GLN 66 Ca 0.06 1.34 -0.22 0.00 0.04 0.00 0.00 55.36 56.57 2k20 s GLN 66 Cb -0.14 -3.34 -0.04 0.00 0.03 0.00 0.00 33.01 29.52 2k20 s GLN 66 CO 0.05 0.34 0.66 -0.51 -2.54 0.00 0.00 175.29 173.28 2k20 s LEU 67 N -0.41 4.34 -0.10 2.60 1.43 0.17 0.70 118.68 127.41 2k20 s LEU 67 Ca 0.42 1.16 0.05 0.00 -1.03 0.00 0.00 54.13 54.73 2k20 s LEU 67 Cb -0.23 -3.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.87 2k20 s LEU 67 CO 0.28 -0.05 -0.02 -0.38 0.23 0.00 0.00 176.35 176.41 2k20 n ILE 68 N 3.50 0.65 -3.65 -0.59 5.41 0.26 -4.46 119.36 120.48 2k20 n ILE 68 Ca -0.03 -0.34 -0.12 0.00 1.00 0.00 0.00 62.75 63.27 2k20 n ILE 68 Cb 0.51 -0.82 -0.05 0.00 -0.71 0.00 0.00 39.64 38.57 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 -2.23 -0.96 -0.06 -1.39 0.00 -0.61 -1.62 121.76 114.89 2k20 s ALA 69 Ca -0.09 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 2k20 s ALA 69 Cb 0.03 0.52 0.04 0.00 0.00 0.00 0.00 23.12 23.71 2k20 s ALA 69 CO 0.33 -0.55 0.11 0.54 0.00 0.00 0.00 175.76 176.19 2k20 s VAL 70 N -3.17 -0.11 -1.91 0.00 0.11 -0.85 -0.10 120.40 114.37 2k20 s VAL 70 Ca -0.01 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 2k20 s VAL 70 Cb 0.01 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 2k20 s VAL 70 CO -0.07 0.11 0.00 0.59 -3.33 0.00 0.00 175.10 172.39 2k20 n ASN 71 N 4.60 -5.50 0.00 3.54 3.02 0.70 -1.21 115.26 120.42 2k20 n ASN 71 Ca -0.19 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2k20 n ASN 71 Cb 0.51 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 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 -0.33 0.99 2.81 7.41 0.00 -1.26 -4.86 105.19 109.95 2k20 n GLY 72 Ca -0.18 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.26 0.94 0.55 1.61 2.02 -0.35 -5.12 118.70 116.10 2k20 s GLU 73 Ca 0.00 -1.21 -0.20 0.00 0.02 0.00 0.00 54.97 53.58 2k20 s GLU 73 Cb 0.00 -2.30 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 2k20 s GLU 73 CO 0.00 -0.93 1.23 0.45 0.02 0.00 0.00 175.26 176.03 2k20 s SER 74 N 1.46 5.42 -0.03 -0.19 0.15 -1.26 -2.01 113.70 117.24 2k20 s SER 74 Ca 0.08 2.45 0.04 0.00 0.70 0.00 0.00 55.95 59.22 2k20 s SER 74 Cb -0.18 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.59 2k20 s SER 74 CO -0.19 -1.44 0.88 0.00 1.20 0.00 0.00 173.24 173.69 2k20 n LEU 75 N -1.23 1.01 0.32 3.45 -0.00 -0.64 -4.78 117.00 115.13 2k20 n LEU 75 Ca 0.12 -1.40 0.19 0.00 -0.00 0.00 0.00 56.01 54.91 2k20 n LEU 75 Cb 0.48 -0.09 1.06 0.00 -0.00 0.00 0.00 43.42 44.87 2k20 n LEU 75 CO 0.47 0.34 1.15 0.25 -0.00 0.00 0.00 177.39 179.59 2k20 h LEU 76 N 0.00 0.00 0.00 1.47 5.85 -1.91 -1.25 115.31 119.46 2k20 h LEU 76 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 2k20 h LEU 76 Cb 0.96 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2k20 h LEU 76 CO 0.00 0.01 -0.88 1.23 -0.34 0.00 0.00 178.44 178.45 2k20 h GLY 77 N 0.09 0.00 -2.01 3.75 0.00 -1.95 -3.46 103.07 99.49 2k20 h GLY 77 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 2k20 h GLY 77 CO 0.00 0.00 -0.11 -1.59 0.00 0.00 0.00 176.54 174.84 2k20 s LYS 78 N -2.84 2.55 0.77 4.80 -2.85 -0.47 -5.10 119.74 116.60 2k20 s LYS 78 Ca 0.01 -1.04 -0.12 0.00 -1.00 0.00 0.00 55.97 53.83 2k20 s LYS 78 Cb 0.09 -2.58 0.05 0.00 -2.06 0.00 0.00 37.83 33.33 2k20 s LYS 78 CO 0.79 -0.63 1.10 0.00 0.10 0.00 0.00 175.35 176.71 2k20 s ALA 79 N -2.64 2.46 0.15 0.59 0.00 -1.26 -4.78 121.76 116.27 2k20 s ALA 79 Ca 0.58 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 2k20 s ALA 79 Cb -0.09 -3.07 0.04 0.00 0.00 0.00 0.00 23.12 19.99 2k20 s ALA 79 CO 0.37 -1.55 1.75 -2.95 0.00 0.00 0.00 175.76 173.38 2k20 h ASN 80 N -0.96 0.10 -0.62 0.00 7.08 -1.91 0.61 115.58 119.88 2k20 h ASN 80 Ca -0.46 0.04 0.01 0.00 -3.08 0.00 0.00 56.30 52.80 2k20 h ASN 80 Cb 1.27 0.03 -0.03 0.00 -2.08 0.00 0.00 38.32 37.51 2k20 h ASN 80 CO 0.61 0.09 0.41 0.06 -2.08 0.00 0.00 177.43 176.52 2k20 h GLN 81 N 0.24 0.81 -0.10 4.14 -0.00 -1.96 0.34 115.11 118.58 2k20 h GLN 81 Ca 0.15 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.65 58.63 2k20 h GLN 81 Cb 0.13 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 27.41 2k20 h GLN 81 CO -0.16 0.53 -0.48 0.93 -0.00 0.00 0.00 178.83 179.66 2k20 h GLU 82 N 0.83 0.24 -0.11 0.06 4.39 -1.82 -1.88 114.58 116.30 2k20 h GLU 82 Ca 0.23 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 2k20 h GLU 82 Cb -0.08 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2k20 h GLU 82 CO -0.06 0.67 -0.08 0.00 -1.16 0.00 0.00 179.01 178.38 2k20 h ALA 83 N 1.31 0.16 -0.14 3.43 0.00 0.11 0.72 119.26 124.85 2k20 h ALA 83 Ca 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2k20 h ALA 83 Cb 0.92 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2k20 h ALA 83 CO 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 179.25 179.29 2k20 h MET 84 N -0.13 0.20 -0.08 0.00 -0.00 -0.30 -0.24 114.93 114.39 2k20 h MET 84 Ca 0.02 -0.03 -0.18 0.00 -0.00 0.00 0.00 59.70 59.52 2k20 h MET 84 Cb 0.57 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 32.13 2k20 h MET 84 CO 0.02 0.23 -0.70 1.49 -0.00 0.00 0.00 176.91 177.96 2k20 h GLU 85 N 0.20 0.39 -0.35 -0.10 4.81 -1.15 -1.82 114.58 116.57 2k20 h GLU 85 Ca 0.05 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 2k20 h GLU 85 Cb 0.16 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2k20 h GLU 85 CO 0.00 0.94 0.06 1.15 -0.73 0.00 0.00 179.01 180.43 2k20 h THR 86 N 0.27 1.17 0.01 0.32 2.02 0.87 -0.99 112.91 116.58 2k20 h THR 86 Ca -0.02 -0.63 -0.22 0.00 0.77 0.00 0.00 66.41 66.30 2k20 h THR 86 Cb 1.26 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2k20 h THR 86 CO 0.12 0.22 -0.95 -0.07 0.37 0.00 0.00 175.52 175.21 2k20 h LEU 87 N 0.50 0.46 0.07 2.58 3.38 -1.09 -1.03 115.31 120.19 2k20 h LEU 87 Ca 0.12 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2k20 h LEU 87 Cb 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2k20 h LEU 87 CO -0.00 1.19 -0.11 -0.09 0.09 0.00 0.00 178.44 179.52 2k20 h ARG 88 N 0.19 -0.22 -0.18 1.13 2.43 -0.46 0.95 114.38 118.22 2k20 h ARG 88 Ca -0.08 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 2k20 h ARG 88 Cb 1.59 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 2k20 h ARG 88 CO 0.16 -0.15 -0.38 0.07 -1.51 0.00 0.00 179.97 178.16 2k20 h ARG 89 N -0.23 0.58 0.00 0.20 -0.00 -1.27 0.06 114.38 113.73 2k20 h ARG 89 Ca 0.02 -0.38 -0.06 0.00 -0.00 0.00 0.00 59.98 59.56 2k20 h ARG 89 Cb 0.24 0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.25 2k20 h ARG 89 CO -0.06 0.99 -0.27 1.03 -0.00 0.00 0.00 179.97 181.67 2k20 h SER 90 N 0.24 0.00 1.04 0.08 0.87 -1.04 0.12 113.55 114.85 2k20 h SER 90 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k20 h SER 90 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2k20 h SER 90 CO 0.08 0.27 -0.95 0.00 -0.53 0.00 0.00 176.83 175.70 2k20 h MET 91 N 0.00 0.00 -0.04 2.24 -0.00 0.10 1.28 114.93 118.51 2k20 h MET 91 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 2k20 h MET 91 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.08 2k20 h MET 91 CO 0.03 0.00 -0.34 0.45 -0.00 0.00 0.00 176.91 177.05 2k20 n SER 92 N -2.68 1.96 0.00 -0.10 2.88 0.00 -3.95 113.62 111.73 2k20 n SER 92 Ca 0.00 -3.70 0.00 0.00 -1.33 0.00 0.00 58.87 53.84 2k20 n SER 92 Cb 0.55 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -1.18 0.00 0.00 2.46 5.66 0.38 -4.92 114.28 116.67 2k20 n THR 93 Ca 0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 2k20 n THR 93 Cb 0.71 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.49 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 -0.56 0.00 -0.25 1.09 1.02 -1.02 -4.34 120.64 116.58 2k20 n GLU 94 Ca 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 57.16 57.46 2k20 n GLU 94 Cb 0.00 -0.16 0.74 0.00 -0.02 0.00 0.00 31.44 32.00 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 0.00 0.00 1.62 0.62 0.00 0.14 0.61 103.07 106.06 2k20 h GLY 95 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 2k20 h GLY 95 CO 0.00 0.00 -0.74 -0.57 0.00 0.00 0.00 176.54 175.23 2k20 h ASN 96 N 0.00 0.44 -1.54 0.19 -0.00 -1.72 0.17 115.58 113.12 2k20 h ASN 96 Ca 0.50 -0.29 0.51 0.00 -0.00 0.00 0.00 56.30 57.01 2k20 h ASN 96 Cb 2.03 -0.13 -0.13 0.00 -0.00 0.00 0.00 38.32 40.09 2k20 h ASN 96 CO -0.01 1.03 1.03 0.11 -0.00 0.00 0.00 177.43 179.59 2k20 h LYS 97 N 0.25 0.00 0.00 6.67 1.57 0.04 0.68 116.57 125.77 2k20 h LYS 97 Ca -0.03 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 2k20 h LYS 97 Cb 1.32 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 2k20 h LYS 97 CO 0.12 0.00 -1.91 2.89 -0.57 0.00 0.00 179.45 179.99 2k20 n ARG 98 N -4.54 1.00 0.00 3.15 0.00 -1.21 -5.01 116.66 110.05 2k20 n ARG 98 Ca 0.42 -0.08 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 2k20 n ARG 98 Cb 1.69 -1.39 0.00 0.00 -0.00 0.00 0.00 32.46 32.76 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 1.81 1.26 3.40 2.89 0.00 0.24 -5.06 105.19 109.72 2k20 n GLY 99 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 0.71 -0.06 1.61 0.00 0.56 -0.55 119.30 121.57 2k20 s MET 100 Ca 0.00 0.43 0.01 0.00 0.00 0.00 0.00 55.69 56.13 2k20 s MET 100 Cb 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 34.83 35.14 2k20 s MET 100 CO 0.00 -0.15 -0.07 -1.50 0.00 0.00 0.00 175.02 173.30 2k20 s ILE 101 N -0.37 3.69 0.47 3.16 2.07 0.12 -4.36 121.20 125.99 2k20 s ILE 101 Ca -0.05 -0.52 -0.20 0.00 -1.41 0.00 0.00 60.65 58.47 2k20 s ILE 101 Cb -0.03 -2.52 -0.09 0.00 0.13 0.00 0.00 42.46 39.95 2k20 s ILE 101 CO 0.03 0.57 1.01 -1.58 -1.91 0.00 0.00 174.94 173.06 2k20 s GLN 102 N -0.89 3.93 -0.18 3.50 0.74 -1.26 -0.29 119.66 125.21 2k20 s GLN 102 Ca 0.13 1.25 -0.04 0.00 0.05 0.00 0.00 55.36 56.75 2k20 s GLN 102 Cb -0.11 -2.12 0.08 0.00 1.10 0.00 0.00 33.01 31.96 2k20 s GLN 102 CO 0.02 -0.31 0.18 -0.51 -0.55 0.00 0.00 175.29 174.12 2k20 s LEU 103 N -3.47 0.02 -0.35 3.68 1.43 0.15 -0.21 118.68 119.93 2k20 s LEU 103 Ca 0.65 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 53.35 2k20 s LEU 103 Cb -0.13 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.28 2k20 s LEU 103 CO 0.19 -0.32 0.22 -0.63 0.23 0.00 0.00 176.35 176.04 2k20 s ILE 104 N 2.27 4.96 0.48 -0.59 1.01 0.86 0.16 121.20 130.35 2k20 s ILE 104 Ca 0.05 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2k20 s ILE 104 Cb -0.15 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2k20 s ILE 104 CO -0.11 -0.10 0.11 0.68 0.00 0.00 0.00 174.94 175.53 2k20 s VAL 105 N 1.65 1.67 -0.10 2.92 -7.23 -0.23 0.93 120.40 120.01 2k20 s VAL 105 Ca 0.05 -1.84 -0.08 0.00 -1.81 0.00 0.00 61.98 58.29 2k20 s VAL 105 Cb -0.18 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.28 2k20 s VAL 105 CO 0.09 0.00 0.27 0.00 -0.31 0.00 0.00 175.10 175.14 2k20 s ALA 106 N -2.76 -0.65 0.32 1.32 0.00 0.22 0.75 121.76 120.95 2k20 s ALA 106 Ca 0.24 0.85 -0.09 0.00 0.00 0.00 0.00 51.96 52.96 2k20 s ALA 106 Cb 0.03 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.68 2k20 s ALA 106 CO 0.13 -0.15 0.58 2.89 0.00 0.00 0.00 175.76 179.22 2k20 n ARG 107 N 3.32 0.84 -4.34 0.00 -4.01 -0.08 -1.92 116.66 110.47 2k20 n ARG 107 Ca -0.16 -2.01 -0.34 0.00 -1.04 0.00 0.00 57.85 54.30 2k20 n ARG 107 Cb 0.57 2.30 -0.11 0.00 -3.04 0.00 0.00 32.46 32.18 2k20 n ARG 107 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 2k20 s ARG 108 N -2.26 3.45 -0.41 2.89 3.52 -1.26 -1.20 118.95 123.69 2k20 s ARG 108 Ca 0.17 -0.46 -0.27 0.00 -0.13 0.00 0.00 55.73 55.04 2k20 s ARG 108 Cb -0.03 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 2k20 s ARG 108 CO 0.12 0.42 2.05 0.42 -0.81 0.00 0.00 175.30 177.50 2k20 s ILE 109 N -0.10 3.24 -0.21 4.11 1.01 0.21 -4.98 121.20 124.47 2k20 s ILE 109 Ca 0.03 0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.91 2k20 s ILE 109 Cb -0.13 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 38.93 2k20 s ILE 109 CO 0.02 -0.34 0.55 -0.24 0.00 0.00 0.00 174.94 174.94