#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 -0.35 -3.19 2.61 -2.24 -1.26 -4.74 114.28 105.11 2k20 n THR 8 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 2k20 n THR 8 Cb 0.00 -1.36 -0.07 0.00 -2.10 0.00 0.00 70.33 66.80 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 -4.37 4.07 0.09 -0.78 0.52 -1.26 -1.29 118.95 115.93 2k20 s ARG 9 Ca 0.00 0.38 0.06 0.00 -0.52 0.00 0.00 55.73 55.65 2k20 s ARG 9 Cb 0.00 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 2k20 s ARG 9 CO 0.00 -0.38 -0.16 -1.83 0.02 0.00 0.00 175.30 172.95 2k20 s GLU 10 N 2.38 0.95 0.18 3.54 -1.05 -0.57 -4.97 118.70 119.16 2k20 s GLU 10 Ca 0.23 -1.07 -0.10 0.00 -0.15 0.00 0.00 54.97 53.88 2k20 s GLU 10 Cb -0.16 -0.99 -0.07 0.00 -0.44 0.00 0.00 34.13 32.48 2k20 s GLU 10 CO 0.09 0.22 0.50 -0.06 0.95 0.00 0.00 175.26 176.95 2k20 s PHE 11 N -1.44 3.49 -0.20 4.83 0.08 -1.26 -2.11 117.98 121.37 2k20 s PHE 11 Ca 0.03 0.84 -0.03 0.00 0.12 0.00 0.00 56.93 57.89 2k20 s PHE 11 Cb -0.09 -2.22 0.06 0.00 -0.57 0.00 0.00 43.02 40.20 2k20 s PHE 11 CO 0.03 0.36 0.04 -0.51 -0.10 0.00 0.00 175.22 175.04 2k20 s LEU 12 N -2.50 1.17 -0.20 -0.37 1.43 0.12 -4.96 118.68 113.37 2k20 s LEU 12 Ca 0.42 -0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 52.52 2k20 s LEU 12 Cb -0.12 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 2k20 s LEU 12 CO 0.21 -0.31 0.49 -0.89 0.23 0.00 0.00 176.35 176.08 2k20 s THR 13 N 1.86 5.13 0.06 5.49 2.01 -1.26 -1.22 115.64 127.71 2k20 s THR 13 Ca -0.01 0.90 0.03 0.00 0.31 0.00 0.00 61.69 62.92 2k20 s THR 13 Cb -0.17 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2k20 s THR 13 CO -0.08 0.20 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.60 2k20 s PHE 14 N 1.53 0.82 -0.31 4.92 0.08 0.15 -4.96 117.98 120.20 2k20 s PHE 14 Ca 0.23 -0.54 -0.04 0.00 0.12 0.00 0.00 56.93 56.70 2k20 s PHE 14 Cb -0.15 -0.47 0.04 0.00 -0.57 0.00 0.00 43.02 41.86 2k20 s PHE 14 CO 0.09 -0.06 0.05 -1.21 -0.10 0.00 0.00 175.22 173.99 2k20 s GLU 15 N -1.91 2.59 -0.32 0.44 8.01 -1.26 0.14 118.70 126.38 2k20 s GLU 15 Ca -0.05 -1.18 -0.12 0.00 0.01 0.00 0.00 54.97 53.63 2k20 s GLU 15 Cb -0.08 -3.31 -0.02 0.00 -4.31 0.00 0.00 34.13 26.41 2k20 s GLU 15 CO 0.00 -0.61 0.22 0.08 0.01 0.00 0.00 175.26 174.96 2k20 s VAL 16 N 1.34 5.24 -0.11 2.63 1.01 0.19 -4.88 120.40 125.82 2k20 s VAL 16 Ca -0.03 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 2k20 s VAL 16 Cb -0.19 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2k20 s VAL 16 CO 0.01 0.06 0.69 -2.16 0.00 0.00 0.00 175.10 173.69 2k20 s PRO 17 N 1.72 4.37 -0.12 2.72 0.04 -1.26 0.17 135.00 142.64 2k20 s PRO 17 Ca 0.06 0.81 0.16 0.00 0.04 0.00 0.00 61.00 62.07 2k20 s PRO 17 Cb -0.17 -3.49 0.39 0.00 0.04 0.00 0.00 34.50 31.27 2k20 s PRO 17 CO 0.10 -0.04 1.19 1.47 0.04 0.00 0.00 177.00 179.76 2k20 n LEU 18 N 4.21 1.98 -0.56 -3.56 -0.00 0.18 -4.52 117.00 114.73 2k20 n LEU 18 Ca -0.01 -3.06 0.45 0.00 -0.00 0.00 0.00 56.01 53.39 2k20 n LEU 18 Cb 0.51 -0.32 0.72 0.00 -0.00 0.00 0.00 43.42 44.32 2k20 n LEU 18 CO 0.46 0.99 1.29 -0.46 -0.00 0.00 0.00 177.39 179.68 2k20 n ASN 19 N -0.57 0.11 -0.07 1.45 2.04 -1.10 0.15 115.26 117.27 2k20 n ASN 19 Ca 0.14 1.16 -0.08 0.00 -0.44 0.00 0.00 54.58 55.36 2k20 n ASN 19 Cb 0.83 -0.57 -0.09 0.00 -2.53 0.00 0.00 39.78 37.42 2k20 n ASN 19 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2k20 n ASP 20 N -4.27 2.30 0.00 0.53 8.00 -1.26 -4.41 116.55 117.44 2k20 n ASP 20 Ca 0.41 -0.03 0.08 0.00 0.71 0.00 0.00 54.79 55.95 2k20 n ASP 20 Cb 1.71 0.41 0.39 0.00 -0.02 0.00 0.00 41.12 43.61 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 -2.64 0.00 -0.60 -2.24 2.88 0.10 -3.67 113.62 107.46 2k20 n SER 21 Ca -0.23 0.17 0.47 0.00 -1.33 0.00 0.00 58.87 57.96 2k20 n SER 21 Cb 0.86 -0.34 0.78 0.00 -0.75 0.00 0.00 64.21 64.75 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 2.67 0.30 0.91 0.46 0.00 0.11 1.07 103.07 108.59 2k20 h GLY 22 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 47.33 47.01 2k20 h GLY 22 CO 0.00 -0.10 -1.39 1.48 0.00 0.00 0.00 176.54 176.54 2k20 h SER 23 N 0.01 0.62 0.41 0.19 4.64 -1.84 -3.27 113.55 114.31 2k20 h SER 23 Ca 0.87 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2k20 h SER 23 Cb 3.32 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 65.20 2k20 h SER 23 CO -0.10 1.65 0.00 0.00 -0.87 0.00 0.00 176.83 177.50 2k20 n ALA 24 N -2.79 2.37 0.00 5.18 0.00 0.31 -4.91 120.51 120.66 2k20 n ALA 24 Ca -0.20 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2k20 n ALA 24 Cb 1.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.93 2.21 0.00 0.00 0.00 0.22 -3.74 105.19 104.81 2k20 n GLY 25 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.24 -4.56 117.00 120.13 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 0.89 3.76 -3.96 0.00 -1.25 0.19 105.19 104.83 2k20 n GLY 27 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.41 0.00 -0.11 1.61 -7.23 -1.26 0.14 120.40 112.13 2k20 s VAL 28 Ca 0.00 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2k20 s VAL 28 Cb 0.00 -2.39 0.04 0.00 0.56 0.00 0.00 36.38 34.58 2k20 s VAL 28 CO 0.00 0.00 -0.00 -0.94 -0.31 0.00 0.00 175.10 173.85 2k20 s SER 29 N -3.02 2.07 0.08 4.85 1.04 0.15 -4.83 113.70 114.05 2k20 s SER 29 Ca 0.16 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.31 2k20 s SER 29 Cb -0.04 -0.55 -0.04 0.00 0.10 0.00 0.00 66.02 65.49 2k20 s SER 29 CO 0.10 -0.21 -0.02 0.68 0.98 0.00 0.00 173.24 174.77 2k20 s VAL 30 N 1.89 3.89 -0.06 5.02 -7.23 -1.26 0.17 120.40 122.83 2k20 s VAL 30 Ca 0.03 -1.01 -0.03 0.00 -1.81 0.00 0.00 61.98 59.16 2k20 s VAL 30 Cb -0.14 -2.84 0.03 0.00 0.56 0.00 0.00 36.38 33.99 2k20 s VAL 30 CO -0.06 0.14 0.14 -1.59 -0.31 0.00 0.00 175.10 173.42 2k20 s LYS 31 N -2.22 0.12 0.17 4.82 -2.85 -0.89 -4.85 119.74 114.03 2k20 s LYS 31 Ca 0.24 0.31 -0.05 0.00 -1.00 0.00 0.00 55.97 55.48 2k20 s LYS 31 Cb -0.12 -0.09 -0.05 0.00 -2.06 0.00 0.00 37.83 35.51 2k20 s LYS 31 CO 0.17 -0.11 0.40 0.20 0.10 0.00 0.00 175.35 176.10 2k20 s GLY 32 N 0.80 2.15 0.35 0.59 0.00 -1.26 -1.38 107.32 108.57 2k20 s GLY 32 Ca -0.06 -0.58 0.08 0.00 0.00 0.00 0.00 44.72 44.16 2k20 s GLY 32 CO -0.04 -0.50 0.14 -1.31 0.00 0.00 0.00 173.10 171.39 2k20 s ASN 33 N -2.58 4.61 -0.01 1.64 0.02 -0.79 -4.96 114.94 112.88 2k20 s ASN 33 Ca 0.41 -0.83 0.05 0.00 -1.02 0.00 0.00 52.86 51.47 2k20 s ASN 33 Cb -0.12 -0.68 -0.01 0.00 0.02 0.00 0.00 41.25 40.46 2k20 s ASN 33 CO 0.25 -0.33 -0.15 -0.60 0.02 0.00 0.00 177.10 176.30 2k20 s ARG 34 N -3.85 1.16 -0.00 -0.60 3.52 -1.26 0.95 118.95 118.87 2k20 s ARG 34 Ca 0.38 -0.54 -0.34 0.00 -0.13 0.00 0.00 55.73 55.09 2k20 s ARG 34 Cb -0.02 -1.13 -0.12 0.00 -1.56 0.00 0.00 34.95 32.12 2k20 s ARG 34 CO 0.22 0.31 1.78 0.43 -0.81 0.00 0.00 175.30 177.23 2k20 n SER 35 N 2.64 3.33 0.09 -2.12 7.64 0.21 -4.85 113.62 120.57 2k20 n SER 35 Ca -0.15 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.75 2k20 n SER 35 Cb 0.55 -1.39 0.31 0.00 -1.01 0.00 0.00 64.21 62.67 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 8.13 0.28 -0.01 1.43 -0.00 -1.99 -2.66 116.57 121.76 2k20 h LYS 36 Ca -0.47 -0.09 -0.18 0.00 -0.00 0.00 0.00 60.65 59.91 2k20 h LYS 36 Cb 1.27 -0.03 -0.02 0.00 -0.00 0.00 0.00 32.23 33.45 2k20 h LYS 36 CO 0.93 0.49 -0.80 0.93 -0.00 0.00 0.00 179.45 181.00 2k20 h GLU 37 N 0.26 0.11 -2.91 0.07 4.39 -1.99 -3.45 114.58 111.06 2k20 h GLU 37 Ca 0.04 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 2k20 h GLU 37 Cb 0.54 0.03 -0.26 0.00 -0.10 0.00 0.00 28.75 28.96 2k20 h GLU 37 CO 0.04 0.85 -0.36 0.54 -1.16 0.00 0.00 179.01 178.92 2k20 s ASN 38 N -6.86 -0.36 -1.00 1.42 4.22 -1.00 -5.07 114.94 106.29 2k20 s ASN 38 Ca -0.02 0.67 -0.26 0.00 -2.14 0.00 0.00 52.86 51.11 2k20 s ASN 38 Cb 0.11 0.64 -0.19 0.00 1.28 0.00 0.00 41.25 43.09 2k20 s ASN 38 CO 0.81 -0.14 2.18 -1.00 -2.04 0.00 0.00 177.10 176.91 2k20 s HIS 39 N 0.57 1.26 -0.13 1.54 3.76 -1.24 -3.32 115.29 117.74 2k20 s HIS 39 Ca -0.03 2.04 -0.06 0.00 -0.15 0.00 0.00 55.06 56.86 2k20 s HIS 39 Cb -0.05 -3.43 0.06 0.00 1.11 0.00 0.00 32.58 30.27 2k20 s HIS 39 CO -0.03 -1.00 0.29 0.00 -0.85 0.00 0.00 174.74 173.15 2k20 s ALA 40 N 15.76 -0.69 0.46 -1.40 0.00 -1.26 -4.93 121.76 129.69 2k20 s ALA 40 Ca 0.83 1.12 -0.22 0.00 0.00 0.00 0.00 51.96 53.69 2k20 s ALA 40 Cb -0.07 -0.83 -0.10 0.00 0.00 0.00 0.00 23.12 22.12 2k20 s ALA 40 CO 0.14 -0.35 0.83 -3.47 0.00 0.00 0.00 175.76 172.90 2k20 n ASP 41 N 4.58 0.37 -0.02 0.00 2.03 -1.26 0.64 116.55 122.89 2k20 n ASP 41 Ca -0.19 0.94 0.02 0.00 0.52 0.00 0.00 54.79 56.07 2k20 n ASP 41 Cb 0.52 -1.27 -0.07 0.00 -0.72 0.00 0.00 41.12 39.58 2k20 n ASP 41 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k20 n LEU 42 N 0.55 0.00 0.00 -2.67 4.77 0.27 -4.68 117.00 115.23 2k20 n LEU 42 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2k20 n LEU 42 Cb 0.41 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2k20 n LEU 42 CO 0.55 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2k20 n GLY 43 N 2.12 3.65 3.82 -0.72 0.00 -1.25 -4.92 105.19 107.89 2k20 n GLY 43 Ca -0.06 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.28 5.40 0.07 -0.61 -0.00 -1.26 -1.88 121.20 120.64 2k20 s ILE 44 Ca 0.00 0.33 0.08 0.00 -0.00 0.00 0.00 60.65 61.06 2k20 s ILE 44 Cb 0.00 -3.49 -0.03 0.00 -0.00 0.00 0.00 42.46 38.94 2k20 s ILE 44 CO 0.00 0.54 -0.22 -0.36 -0.00 0.00 0.00 174.94 174.90 2k20 s PHE 45 N -0.49 1.92 -0.37 1.37 0.40 -0.48 -0.08 117.98 120.24 2k20 s PHE 45 Ca 0.15 -0.39 -0.27 0.00 -0.60 0.00 0.00 56.93 55.81 2k20 s PHE 45 Cb -0.12 -1.10 -0.06 0.00 0.51 0.00 0.00 43.02 42.24 2k20 s PHE 45 CO 0.04 0.16 2.32 0.08 0.70 0.00 0.00 175.22 178.52 2k20 s VAL 46 N -0.95 3.01 0.05 -0.44 1.01 -0.80 -2.09 120.40 120.18 2k20 s VAL 46 Ca 0.08 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 2k20 s VAL 46 Cb -0.09 -3.03 -0.16 0.00 0.00 0.00 0.00 36.38 33.10 2k20 s VAL 46 CO 0.03 -0.02 1.27 0.50 0.00 0.00 0.00 175.10 176.88 2k20 h LYS 47 N 17.51 0.50 -1.64 2.72 1.63 0.14 1.02 116.57 138.45 2k20 h LYS 47 Ca -0.32 -0.36 0.09 0.00 -0.85 0.00 0.00 60.65 59.22 2k20 h LYS 47 Cb 1.25 0.06 -0.25 0.00 -0.60 0.00 0.00 32.23 32.69 2k20 h LYS 47 CO 1.07 0.98 0.24 -1.12 -3.45 0.00 0.00 179.45 177.16 2k20 s SER 48 N -6.53 -0.68 -0.25 4.20 0.01 -0.88 -4.79 113.70 104.79 2k20 s SER 48 Ca -0.13 1.05 -0.16 0.00 1.31 0.00 0.00 55.95 58.02 2k20 s SER 48 Cb 0.06 1.37 -0.03 0.00 0.21 0.00 0.00 66.02 67.62 2k20 s SER 48 CO 0.81 -0.16 0.43 -0.63 0.41 0.00 0.00 173.24 174.10 2k20 s ILE 49 N 1.62 5.14 -0.15 1.44 1.01 -1.26 0.35 121.20 129.35 2k20 s ILE 49 Ca -0.09 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.00 2k20 s ILE 49 Cb -0.05 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 2k20 s ILE 49 CO -0.17 0.16 2.13 -0.38 0.00 0.00 0.00 174.94 176.68 2k20 n ILE 50 N 4.90 0.47 -1.42 2.92 -0.00 0.36 -4.82 119.36 121.76 2k20 n ILE 50 Ca -0.07 -0.33 -0.36 0.00 -0.00 0.00 0.00 62.75 61.99 2k20 n ILE 50 Cb 0.50 -2.36 -0.07 0.00 -0.00 0.00 0.00 39.64 37.71 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 10.00 2.43 0.00 4.38 3.02 -1.26 -1.88 115.26 131.96 2k20 n ASN 51 Ca 0.28 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 2k20 n ASN 51 Cb 0.40 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 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 5.15 0.37 0.68 7.41 0.00 -1.26 -5.08 105.19 112.45 2k20 n GLY 52 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.60 0.32 -0.02 0.00 -0.79 -4.70 105.19 97.39 2k20 n GLY 53 Ca 0.00 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.16 0.93 0.11 4.61 0.00 0.19 -1.58 119.26 121.36 2k20 h ALA 54 Ca -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2k20 h ALA 54 Cb 0.25 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2k20 h ALA 54 CO 0.05 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.87 2k20 h ALA 55 N 1.10 -0.14 -0.01 0.00 0.00 0.57 0.49 119.26 121.27 2k20 h ALA 55 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2k20 h ALA 55 Cb 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k20 h ALA 55 CO -0.01 -0.54 -0.17 1.03 0.00 0.00 0.00 179.25 179.57 2k20 h SER 56 N -0.22 0.01 0.34 0.00 0.87 -1.69 -1.91 113.55 110.95 2k20 h SER 56 Ca -0.01 -0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.34 2k20 h SER 56 Cb 0.18 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2k20 h SER 56 CO 0.02 0.18 -0.84 0.11 -0.53 0.00 0.00 176.83 175.77 2k20 h LYS 57 N 0.01 0.38 -0.08 2.24 1.57 -0.73 -3.08 116.57 116.88 2k20 h LYS 57 Ca 0.00 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.44 2k20 h LYS 57 Cb 0.30 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2k20 h LYS 57 CO 0.02 1.02 0.07 0.22 -0.57 0.00 0.00 179.45 180.22 2k20 h ASP 58 N 0.23 0.00 -1.71 0.86 3.58 0.81 -3.46 116.42 116.73 2k20 h ASP 58 Ca -0.05 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.04 2k20 h ASP 58 Cb 1.45 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.42 2k20 h ASP 58 CO 0.14 0.00 -0.39 0.61 -2.88 0.00 0.00 179.24 176.72 2k20 n GLY 59 N -1.43 0.64 0.00 -0.78 0.00 -1.16 -4.80 105.19 97.65 2k20 n GLY 59 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.59 2.49 -2.48 1.61 1.74 -1.26 -5.06 116.66 111.11 2k20 n ARG 60 Ca -0.19 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.50 2k20 n ARG 60 Cb 0.62 -0.81 -0.04 0.00 -1.02 0.00 0.00 32.46 31.21 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 -2.81 4.32 -0.07 0.55 1.02 -1.26 -5.05 118.68 115.37 2k20 s LEU 61 Ca 0.00 2.18 -0.05 0.00 0.02 0.00 0.00 54.13 56.28 2k20 s LEU 61 Cb 0.00 -3.93 0.03 0.00 0.02 0.00 0.00 46.19 42.31 2k20 s LEU 61 CO 0.00 -0.37 0.18 -0.13 0.02 0.00 0.00 176.35 176.05 2k20 s ARG 62 N -2.02 0.17 0.41 1.70 3.00 -1.26 -4.91 118.95 116.03 2k20 s ARG 62 Ca 0.52 0.34 -0.25 0.00 0.00 0.00 0.00 55.73 56.35 2k20 s ARG 62 Cb -0.27 -0.03 -0.11 0.00 0.00 0.00 0.00 34.95 34.54 2k20 s ARG 62 CO 0.35 -0.10 1.09 0.28 0.00 0.00 0.00 175.30 176.92 2k20 n VAL 63 N 3.62 2.43 -0.06 3.52 0.31 -1.26 -1.79 118.33 125.10 2k20 n VAL 63 Ca -0.20 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 2k20 n VAL 63 Cb 0.55 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 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 0.48 0.00 -4.60 4.52 3.02 0.35 -4.89 115.26 114.15 2k20 n ASN 64 Ca 0.09 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.21 2k20 n ASN 64 Cb 0.39 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 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 -3.03 5.64 -0.33 6.41 1.01 -0.74 -4.47 116.67 121.15 2k20 s ASP 65 Ca 0.00 1.68 -0.29 0.00 0.71 0.00 0.00 52.55 54.66 2k20 s ASP 65 Cb 0.00 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 2k20 s ASP 65 CO 0.00 -1.85 1.41 -1.58 0.21 0.00 0.00 175.17 173.36 2k20 s GLN 66 N 6.05 3.74 0.49 8.23 -0.44 -0.67 -1.90 119.66 135.17 2k20 s GLN 66 Ca 0.93 1.20 -0.22 0.00 -2.50 0.00 0.00 55.36 54.76 2k20 s GLN 66 Cb -0.29 -3.97 -0.07 0.00 -1.64 0.00 0.00 33.01 27.04 2k20 s GLN 66 CO 0.35 -1.34 1.23 -0.51 0.50 0.00 0.00 175.29 175.51 2k20 s LEU 67 N 5.00 3.96 0.00 3.68 1.43 0.88 0.11 118.68 133.74 2k20 s LEU 67 Ca 0.61 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 56.16 2k20 s LEU 67 Cb -0.17 -4.26 0.00 0.00 0.03 0.00 0.00 46.19 41.79 2k20 s LEU 67 CO 0.28 -1.13 0.00 -0.38 0.23 0.00 0.00 176.35 175.35 2k20 n ILE 68 N -0.67 0.00 -3.70 -0.59 5.41 0.30 -4.53 119.36 115.57 2k20 n ILE 68 Ca 0.08 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.70 2k20 n ILE 68 Cb 0.47 -0.27 -0.14 0.00 -0.71 0.00 0.00 39.64 39.00 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 -1.42 -0.49 -0.13 -1.39 0.00 -0.46 -0.35 121.76 117.53 2k20 s ALA 69 Ca 0.00 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.89 2k20 s ALA 69 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2k20 s ALA 69 CO 0.00 -0.36 -0.20 0.54 0.00 0.00 0.00 175.76 175.73 2k20 s VAL 70 N 1.70 2.30 -1.42 0.00 0.11 -0.86 0.92 120.40 123.15 2k20 s VAL 70 Ca -0.05 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 58.04 2k20 s VAL 70 Cb -0.11 -1.92 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 2k20 s VAL 70 CO -0.08 0.54 0.55 0.59 -3.33 0.00 0.00 175.10 173.37 2k20 n ASN 71 N 3.80 -5.72 -1.10 3.54 5.03 0.90 -1.36 115.26 120.34 2k20 n ASN 71 Ca -0.19 -0.26 -0.12 0.00 0.87 0.00 0.00 54.58 54.88 2k20 n ASN 71 Cb 0.52 -4.55 -0.03 0.00 -1.02 0.00 0.00 39.78 34.70 2k20 n ASN 71 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k20 n GLY 72 N -1.45 0.72 2.85 7.41 0.00 -1.26 -4.94 105.19 108.51 2k20 n GLY 72 Ca -0.11 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.66 1.16 0.32 1.61 2.02 -0.47 -5.11 118.70 114.57 2k20 s GLU 73 Ca 0.00 -1.60 -0.29 0.00 0.02 0.00 0.00 54.97 53.10 2k20 s GLU 73 Cb 0.00 -2.58 -0.11 0.00 0.10 0.00 0.00 34.13 31.54 2k20 s GLU 73 CO 0.00 -1.00 1.54 0.45 0.02 0.00 0.00 175.26 176.28 2k20 s SER 74 N 1.07 6.38 -0.06 -0.19 0.15 -1.26 -2.03 113.70 117.75 2k20 s SER 74 Ca 0.12 2.97 0.19 0.00 0.70 0.00 0.00 55.95 59.93 2k20 s SER 74 Cb -0.19 -2.65 0.65 0.00 -1.71 0.00 0.00 66.02 62.12 2k20 s SER 74 CO -0.14 -0.89 1.54 0.18 1.20 0.00 0.00 173.24 175.14 2k20 n LEU 75 N 1.54 4.11 0.28 3.45 4.32 0.53 -4.34 117.00 126.90 2k20 n LEU 75 Ca 0.05 -2.07 0.15 0.00 -0.02 0.00 0.00 56.01 54.13 2k20 n LEU 75 Cb 0.38 -0.51 0.84 0.00 -1.62 0.00 0.00 43.42 42.50 2k20 n LEU 75 CO 0.63 0.84 1.04 -0.07 -1.22 0.00 0.00 177.39 178.61 2k20 h LEU 76 N 3.94 0.00 -2.76 2.23 3.38 -1.91 -1.80 115.31 118.39 2k20 h LEU 76 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2k20 h LEU 76 Cb 1.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2k20 h LEU 76 CO 0.12 0.07 0.05 0.61 0.09 0.00 0.00 178.44 179.38 2k20 n GLY 77 N -0.77 2.61 3.47 0.83 0.00 -1.26 -4.91 105.19 105.16 2k20 n GLY 77 Ca -0.02 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 2k20 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k20 s LYS 78 N -2.16 1.35 0.96 1.61 -2.85 -0.68 -5.14 119.74 112.83 2k20 s LYS 78 Ca 0.36 -1.15 -0.15 0.00 -1.00 0.00 0.00 55.97 54.03 2k20 s LYS 78 Cb 0.28 0.44 0.18 0.00 -2.06 0.00 0.00 37.83 36.67 2k20 s LYS 78 CO 0.10 -0.54 1.25 0.00 0.10 0.00 0.00 175.35 176.26 2k20 s ALA 79 N -3.97 2.07 0.06 0.59 0.00 -1.26 -4.80 121.76 114.44 2k20 s ALA 79 Ca 0.18 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 2k20 s ALA 79 Cb 0.01 -2.85 -0.18 0.00 0.00 0.00 0.00 23.12 20.10 2k20 s ALA 79 CO 0.03 -2.43 1.53 -2.95 0.00 0.00 0.00 175.76 171.94 2k20 h ASN 80 N -1.64 -0.62 -0.96 0.00 7.08 -1.92 0.13 115.58 117.66 2k20 h ASN 80 Ca -0.45 -0.01 0.14 0.00 -3.08 0.00 0.00 56.30 52.89 2k20 h ASN 80 Cb 1.27 0.16 -0.08 0.00 -2.08 0.00 0.00 38.32 37.59 2k20 h ASN 80 CO 0.45 -0.38 0.61 0.06 -2.08 0.00 0.00 177.43 176.09 2k20 h GLN 81 N -0.82 0.83 -0.25 4.14 -0.00 -1.97 0.37 115.11 117.42 2k20 h GLN 81 Ca -0.07 -0.05 -0.16 0.00 -0.00 0.00 0.00 58.65 58.37 2k20 h GLN 81 Cb 0.59 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.48 27.88 2k20 h GLN 81 CO 0.12 0.55 -0.49 0.93 -0.00 0.00 0.00 178.83 179.94 2k20 h GLU 82 N 0.85 0.68 -0.11 0.06 4.39 -1.89 -1.65 114.58 116.91 2k20 h GLU 82 Ca 0.49 -0.40 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 2k20 h GLU 82 Cb 0.64 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2k20 h GLU 82 CO -0.26 1.01 -0.07 0.00 -1.16 0.00 0.00 179.01 178.53 2k20 h ALA 83 N 0.92 0.15 -0.01 3.43 0.00 0.12 0.47 119.26 124.34 2k20 h ALA 83 Ca 0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2k20 h ALA 83 Cb 1.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2k20 h ALA 83 CO 0.10 -0.05 -0.14 0.00 0.00 0.00 0.00 179.25 179.16 2k20 h MET 84 N -0.14 0.01 0.12 0.00 -0.00 -0.37 0.18 114.93 114.72 2k20 h MET 84 Ca 0.02 -0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 59.45 2k20 h MET 84 Cb 0.55 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.16 2k20 h MET 84 CO 0.02 0.15 -1.20 1.49 -0.00 0.00 0.00 176.91 177.37 2k20 h GLU 85 N 0.01 0.33 -0.31 -0.10 4.81 -1.11 -1.27 114.58 116.95 2k20 h GLU 85 Ca 0.00 -0.51 -0.11 0.00 -0.13 0.00 0.00 59.36 58.61 2k20 h GLU 85 Cb 0.25 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2k20 h GLU 85 CO 0.02 1.22 -0.25 1.15 -0.73 0.00 0.00 179.01 180.42 2k20 h THR 86 N 0.12 1.27 0.06 0.32 2.02 1.00 -1.91 112.91 115.79 2k20 h THR 86 Ca -0.14 -1.32 -0.24 0.00 0.77 0.00 0.00 66.41 65.49 2k20 h THR 86 Cb 1.91 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 2k20 h THR 86 CO 0.20 0.43 -1.06 0.17 0.37 0.00 0.00 175.52 175.63 2k20 h LEU 87 N 0.53 0.34 -0.19 2.58 8.10 -0.72 -0.69 115.31 125.26 2k20 h LEU 87 Ca 0.07 -0.33 0.04 0.00 0.11 0.00 0.00 57.88 57.77 2k20 h LEU 87 Cb 0.71 -0.11 -0.04 0.00 -0.44 0.00 0.00 40.66 40.79 2k20 h LEU 87 CO 0.05 1.19 -0.05 -0.09 -4.11 0.00 0.00 178.44 175.44 2k20 h ARG 88 N 0.10 -0.00 -0.01 0.17 2.43 -0.93 1.13 114.38 117.27 2k20 h ARG 88 Ca -0.08 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2k20 h ARG 88 Cb 1.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 2k20 h ARG 88 CO 0.17 -0.00 -0.02 0.07 -1.51 0.00 0.00 179.97 178.68 2k20 h ARG 89 N -0.01 0.02 -0.49 0.20 -0.00 -1.40 0.50 114.38 113.20 2k20 h ARG 89 Ca 0.09 -0.02 0.14 0.00 -0.00 0.00 0.00 59.98 60.20 2k20 h ARG 89 Cb 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.10 2k20 h ARG 89 CO -0.20 0.63 0.37 0.77 -0.00 0.00 0.00 179.97 181.55 2k20 h SER 90 N -0.59 0.00 0.21 0.08 0.02 -0.89 1.04 113.55 113.42 2k20 h SER 90 Ca -0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2k20 h SER 90 Cb 0.63 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 2k20 h SER 90 CO 0.00 0.00 -1.92 0.00 -1.14 0.00 0.00 176.83 173.77 2k20 h MET 91 N 0.00 0.22 -0.77 3.45 -0.00 0.14 1.13 114.93 119.10 2k20 h MET 91 Ca 0.23 -0.37 -0.53 0.00 -0.00 0.00 0.00 59.70 59.04 2k20 h MET 91 Cb 0.97 0.14 -0.32 0.00 -0.00 0.00 0.00 31.60 32.39 2k20 h MET 91 CO -0.00 1.07 -0.06 0.45 -0.00 0.00 0.00 176.91 178.37 2k20 n SER 92 N -3.40 5.41 0.00 -0.10 2.88 0.17 -3.04 113.62 115.55 2k20 n SER 92 Ca -0.28 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.49 2k20 n SER 92 Cb 1.05 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2k20 n SER 92 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2k20 n THR 93 N -0.87 0.00 -0.06 2.46 -1.04 0.35 -4.82 114.28 110.30 2k20 n THR 93 Ca 0.49 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.38 2k20 n THR 93 Cb 0.89 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.36 2k20 n THR 93 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k20 n GLU 94 N -1.53 0.25 0.28 -2.82 1.02 -1.07 -4.26 120.64 112.50 2k20 n GLU 94 Ca 0.00 0.10 0.17 0.00 -0.02 0.00 0.00 57.16 57.41 2k20 n GLU 94 Cb 0.00 -0.96 0.69 0.00 -0.02 0.00 0.00 31.44 31.16 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 -0.24 0.00 1.55 0.62 0.00 0.11 -2.71 103.07 102.40 2k20 h GLY 95 Ca -0.29 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.78 2k20 h GLY 95 CO -0.16 0.00 -1.31 -0.57 0.00 0.00 0.00 176.54 174.50 2k20 h ASN 96 N 0.00 0.16 -1.38 0.19 -0.00 -1.72 0.22 115.58 113.05 2k20 h ASN 96 Ca -0.00 -0.21 0.47 0.00 -0.00 0.00 0.00 56.30 56.56 2k20 h ASN 96 Cb 0.50 -0.05 -0.13 0.00 -0.00 0.00 0.00 38.32 38.64 2k20 h ASN 96 CO 0.00 1.17 0.89 0.11 -0.00 0.00 0.00 177.43 179.61 2k20 h LYS 97 N 0.03 0.03 0.00 6.67 1.57 -1.66 0.38 116.57 123.59 2k20 h LYS 97 Ca -0.14 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.29 2k20 h LYS 97 Cb 1.91 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 34.15 2k20 h LYS 97 CO 0.14 0.02 -2.31 2.89 -0.57 0.00 0.00 179.45 179.62 2k20 n ARG 98 N -4.70 0.88 0.00 3.15 0.00 -1.25 -5.01 116.66 109.73 2k20 n ARG 98 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.25 2k20 n ARG 98 Cb 1.54 -1.49 0.00 0.00 -0.00 0.00 0.00 32.46 32.51 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 1.87 0.90 3.38 2.89 0.00 0.13 -5.01 105.19 109.35 2k20 n GLY 99 Ca -0.32 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 0.68 0.05 1.61 0.23 0.75 0.52 119.30 123.13 2k20 s MET 100 Ca 0.00 0.44 0.04 0.00 -1.03 0.00 0.00 55.69 55.14 2k20 s MET 100 Cb 0.00 0.32 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 2k20 s MET 100 CO 0.00 -0.13 -0.03 -1.50 -2.03 0.00 0.00 175.02 171.33 2k20 s ILE 101 N -0.29 3.90 0.31 3.16 2.07 0.13 -4.40 121.20 126.08 2k20 s ILE 101 Ca -0.05 -0.86 -0.27 0.00 -1.41 0.00 0.00 60.65 58.07 2k20 s ILE 101 Cb -0.03 -2.79 -0.10 0.00 0.13 0.00 0.00 42.46 39.67 2k20 s ILE 101 CO 0.03 0.25 0.96 -1.58 -1.91 0.00 0.00 174.94 172.69 2k20 s GLN 102 N -1.88 4.61 0.02 3.50 -0.44 -1.26 -0.64 119.66 123.58 2k20 s GLN 102 Ca 0.22 1.39 0.01 0.00 -2.50 0.00 0.00 55.36 54.47 2k20 s GLN 102 Cb -0.11 -2.89 -0.02 0.00 -1.64 0.00 0.00 33.01 28.35 2k20 s GLN 102 CO 0.13 0.30 -0.04 -0.51 0.50 0.00 0.00 175.29 175.67 2k20 s LEU 103 N -1.90 2.20 -0.17 3.68 1.43 0.37 -0.07 118.68 124.22 2k20 s LEU 103 Ca 0.49 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2k20 s LEU 103 Cb -0.21 -0.01 0.08 0.00 0.03 0.00 0.00 46.19 46.08 2k20 s LEU 103 CO 0.26 -0.22 0.20 -0.63 0.23 0.00 0.00 176.35 176.20 2k20 s ILE 104 N -1.19 -0.31 0.48 -0.59 1.01 0.26 0.31 121.20 121.19 2k20 s ILE 104 Ca -0.11 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.58 2k20 s ILE 104 Cb -0.08 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 2k20 s ILE 104 CO -0.00 -0.10 0.06 0.68 0.00 0.00 0.00 174.94 175.58 2k20 s VAL 105 N 2.32 0.84 -0.10 2.92 -7.23 -0.36 0.11 120.40 118.89 2k20 s VAL 105 Ca 0.05 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.12 2k20 s VAL 105 Cb -0.15 -2.16 0.03 0.00 0.56 0.00 0.00 36.38 34.66 2k20 s VAL 105 CO -0.10 0.00 0.28 0.00 -0.31 0.00 0.00 175.10 174.97 2k20 s ALA 106 N -3.01 -0.69 0.37 1.32 0.00 0.31 0.15 121.76 120.21 2k20 s ALA 106 Ca 0.11 0.79 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 2k20 s ALA 106 Cb 0.01 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.69 2k20 s ALA 106 CO 0.07 -0.13 0.60 -0.98 0.00 0.00 0.00 175.76 175.32 2k20 s ARG 107 N 0.16 2.08 0.14 0.00 1.04 -0.90 -1.66 118.95 119.82 2k20 s ARG 107 Ca -0.00 -1.68 0.03 0.00 -1.04 0.00 0.00 55.73 53.03 2k20 s ARG 107 Cb -0.02 0.51 -0.04 0.00 -2.04 0.00 0.00 34.95 33.37 2k20 s ARG 107 CO 0.00 -0.91 0.26 1.03 -0.04 0.00 0.00 175.30 175.64 2k20 s ARG 108 N -2.66 3.36 -0.22 3.89 0.52 -1.26 -1.51 118.95 121.08 2k20 s ARG 108 Ca 0.25 -0.62 0.11 0.00 -0.52 0.00 0.00 55.73 54.95 2k20 s ARG 108 Cb -0.02 -2.93 -0.21 0.00 0.52 0.00 0.00 34.95 32.31 2k20 s ARG 108 CO 0.18 0.52 -0.05 -0.89 0.02 0.00 0.00 175.30 175.08 2k20 n ILE 109 N -0.44 1.38 -0.47 1.52 5.41 -0.41 -4.98 119.36 121.37 2k20 n ILE 109 Ca -0.07 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 62.97 2k20 n ILE 109 Cb 0.54 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 2k20 n ILE 109 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35