#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 -0.92 -3.20 2.61 -2.24 -1.26 -4.75 114.28 104.52 2k20 n THR 8 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2k20 n THR 8 Cb 0.00 -1.76 -0.07 0.00 -2.10 0.00 0.00 70.33 66.39 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 -5.86 3.79 0.14 -0.78 0.52 -1.26 -1.56 118.95 113.93 2k20 s ARG 9 Ca 0.34 0.07 0.09 0.00 -0.52 0.00 0.00 55.73 55.70 2k20 s ARG 9 Cb -0.18 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.50 2k20 s ARG 9 CO 0.42 -0.57 -0.21 -1.83 0.02 0.00 0.00 175.30 173.13 2k20 s GLU 10 N 2.45 1.24 0.11 3.54 -1.05 -0.64 -4.95 118.70 119.41 2k20 s GLU 10 Ca 0.21 -1.31 -0.08 0.00 -0.15 0.00 0.00 54.97 53.65 2k20 s GLU 10 Cb -0.15 -1.46 -0.06 0.00 -0.44 0.00 0.00 34.13 32.02 2k20 s GLU 10 CO 0.12 0.32 0.40 -0.06 0.95 0.00 0.00 175.26 176.99 2k20 s PHE 11 N -1.54 3.52 -0.19 4.83 0.08 -1.26 -2.00 117.98 121.42 2k20 s PHE 11 Ca 0.12 0.69 -0.03 0.00 0.12 0.00 0.00 56.93 57.83 2k20 s PHE 11 Cb -0.08 -2.10 0.06 0.00 -0.57 0.00 0.00 43.02 40.33 2k20 s PHE 11 CO 0.06 0.47 0.03 -0.51 -0.10 0.00 0.00 175.22 175.17 2k20 s LEU 12 N -2.28 1.23 -0.16 -0.37 1.43 0.14 -4.96 118.68 113.71 2k20 s LEU 12 Ca 0.37 -0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 2k20 s LEU 12 Cb -0.13 -0.62 -0.05 0.00 0.03 0.00 0.00 46.19 45.43 2k20 s LEU 12 CO 0.21 -0.30 0.27 -0.89 0.23 0.00 0.00 176.35 175.87 2k20 s THR 13 N 1.84 5.32 0.23 5.49 2.01 -1.26 -1.70 115.64 127.58 2k20 s THR 13 Ca -0.01 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.51 2k20 s THR 13 Cb -0.17 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2k20 s THR 13 CO -0.08 0.40 0.17 -0.36 -0.69 0.00 0.00 174.62 174.06 2k20 s PHE 14 N 0.43 1.30 -0.20 4.92 0.08 0.10 -4.96 117.98 119.65 2k20 s PHE 14 Ca 0.16 -1.44 -0.01 0.00 0.12 0.00 0.00 56.93 55.76 2k20 s PHE 14 Cb -0.13 -0.59 0.05 0.00 -0.57 0.00 0.00 43.02 41.79 2k20 s PHE 14 CO 0.03 -0.71 -0.03 -1.21 -0.10 0.00 0.00 175.22 173.21 2k20 s GLU 15 N -3.97 1.33 -0.30 0.44 8.01 -1.26 0.12 118.70 123.07 2k20 s GLU 15 Ca 0.39 -0.70 -0.10 0.00 0.01 0.00 0.00 54.97 54.58 2k20 s GLU 15 Cb 0.06 -2.29 -0.02 0.00 -4.31 0.00 0.00 34.13 27.57 2k20 s GLU 15 CO 0.16 -0.55 0.15 0.08 0.01 0.00 0.00 175.26 175.11 2k20 s VAL 16 N 1.58 4.75 -0.11 2.63 1.01 0.88 -4.88 120.40 126.26 2k20 s VAL 16 Ca -0.03 -0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 2k20 s VAL 16 Cb -0.17 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2k20 s VAL 16 CO -0.07 0.14 0.73 -2.16 0.00 0.00 0.00 175.10 173.74 2k20 s PRO 17 N 1.65 4.36 -0.21 2.72 0.04 -1.26 -0.02 135.00 142.29 2k20 s PRO 17 Ca 0.06 0.88 0.12 0.00 0.04 0.00 0.00 61.00 62.09 2k20 s PRO 17 Cb -0.17 -3.50 0.41 0.00 0.04 0.00 0.00 34.50 31.28 2k20 s PRO 17 CO 0.07 -0.09 1.24 1.47 0.04 0.00 0.00 177.00 179.73 2k20 n LEU 18 N 4.37 2.83 -0.66 -3.56 -0.00 0.11 -4.45 117.00 115.64 2k20 n LEU 18 Ca 0.00 -3.74 0.50 0.00 -0.00 0.00 0.00 56.01 52.77 2k20 n LEU 18 Cb 0.50 -0.53 0.78 0.00 -0.00 0.00 0.00 43.42 44.18 2k20 n LEU 18 CO 0.47 1.26 1.41 -0.46 -0.00 0.00 0.00 177.39 180.07 2k20 n ASN 19 N -1.16 0.03 -0.03 1.45 6.94 -1.21 0.12 115.26 121.39 2k20 n ASN 19 Ca 0.20 1.01 -0.03 0.00 -0.02 0.00 0.00 54.58 55.74 2k20 n ASN 19 Cb 0.72 -0.50 -0.04 0.00 -2.36 0.00 0.00 39.78 37.60 2k20 n ASN 19 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2k20 n ASP 20 N -3.96 3.63 0.00 0.53 9.92 -1.26 -4.53 116.55 120.89 2k20 n ASP 20 Ca 0.43 -0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.77 2k20 n ASP 20 Cb 1.91 0.54 0.42 0.00 -0.64 0.00 0.00 41.12 43.35 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 -0.36 -2.24 2.88 0.65 -3.59 113.62 108.69 2k20 n SER 21 Ca -0.09 0.23 0.37 0.00 -1.33 0.00 0.00 58.87 58.06 2k20 n SER 21 Cb 0.67 -0.38 0.71 0.00 -0.75 0.00 0.00 64.21 64.46 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 3.04 0.00 1.14 0.46 0.00 0.68 0.92 103.07 109.30 2k20 h GLY 22 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 2k20 h GLY 22 CO 0.00 0.00 -1.60 1.48 0.00 0.00 0.00 176.54 176.42 2k20 h SER 23 N 0.00 0.33 -0.27 0.19 4.64 -1.84 -3.30 113.55 113.30 2k20 h SER 23 Ca 0.62 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2k20 h SER 23 Cb 2.71 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 64.69 2k20 h SER 23 CO -0.01 1.43 0.00 0.00 -0.87 0.00 0.00 176.83 177.39 2k20 n ALA 24 N -2.69 2.47 0.00 5.18 0.00 0.28 -4.93 120.51 120.82 2k20 n ALA 24 Ca -0.18 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2k20 n ALA 24 Cb 1.04 -1.01 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 1.01 1.70 0.00 0.00 0.00 0.86 -3.44 105.19 105.32 2k20 n GLY 25 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.70 117.00 120.00 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 -0.38 0.99 3.39 -3.96 0.00 -1.22 0.17 105.19 104.16 2k20 n GLY 27 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.80 0.03 -0.22 1.61 -7.23 -1.26 0.14 120.40 111.66 2k20 s VAL 28 Ca 0.00 -0.25 -0.01 0.00 -1.81 0.00 0.00 61.98 59.92 2k20 s VAL 28 Cb 0.00 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.92 2k20 s VAL 28 CO 0.00 -0.14 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.11 2k20 s SER 29 N -2.42 3.96 0.07 4.85 0.01 0.19 -4.88 113.70 115.48 2k20 s SER 29 Ca -0.01 -0.75 0.05 0.00 1.31 0.00 0.00 55.95 56.54 2k20 s SER 29 Cb -0.00 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 2k20 s SER 29 CO -0.08 -0.07 -0.04 0.68 0.41 0.00 0.00 173.24 174.14 2k20 s VAL 30 N 1.33 3.76 -0.12 3.43 -7.23 -1.26 0.17 120.40 120.48 2k20 s VAL 30 Ca 0.02 -0.99 -0.06 0.00 -1.81 0.00 0.00 61.98 59.14 2k20 s VAL 30 Cb -0.15 -2.74 0.05 0.00 0.56 0.00 0.00 36.38 34.10 2k20 s VAL 30 CO -0.07 0.20 0.29 -1.59 -0.31 0.00 0.00 175.10 173.62 2k20 s LYS 31 N -2.02 0.25 0.49 4.82 -2.85 -0.94 -4.86 119.74 114.62 2k20 s LYS 31 Ca 0.22 0.60 -0.02 0.00 -1.00 0.00 0.00 55.97 55.77 2k20 s LYS 31 Cb -0.11 -0.09 -0.01 0.00 -2.06 0.00 0.00 37.83 35.56 2k20 s LYS 31 CO 0.14 -0.17 0.74 0.20 0.10 0.00 0.00 175.35 176.37 2k20 s GLY 32 N 1.34 1.55 0.48 0.59 0.00 -1.26 -1.81 107.32 108.21 2k20 s GLY 32 Ca -0.09 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.78 2k20 s GLY 32 CO -0.10 -0.68 0.06 -1.31 0.00 0.00 0.00 173.10 171.07 2k20 s ASN 33 N -4.21 3.63 0.04 1.64 0.02 -0.77 -4.97 114.94 110.31 2k20 s ASN 33 Ca 0.49 -1.70 0.03 0.00 -1.02 0.00 0.00 52.86 50.66 2k20 s ASN 33 Cb -0.10 0.60 -0.02 0.00 0.02 0.00 0.00 41.25 41.74 2k20 s ASN 33 CO 0.41 -0.93 -0.09 -0.60 0.02 0.00 0.00 177.10 175.92 2k20 s ARG 34 N -3.80 0.57 0.14 -0.60 3.52 -1.26 -1.08 118.95 116.43 2k20 s ARG 34 Ca 0.11 -0.72 -0.34 0.00 -0.13 0.00 0.00 55.73 54.65 2k20 s ARG 34 Cb 0.01 -0.39 -0.13 0.00 -1.56 0.00 0.00 34.95 32.88 2k20 s ARG 34 CO 0.07 0.08 1.63 0.45 -0.81 0.00 0.00 175.30 176.72 2k20 n SER 35 N 1.62 3.23 0.26 -2.12 2.88 0.29 -4.81 113.62 114.97 2k20 n SER 35 Ca -0.21 1.07 0.09 0.00 -1.33 0.00 0.00 58.87 58.48 2k20 n SER 35 Cb 0.55 -1.44 0.66 0.00 -0.75 0.00 0.00 64.21 63.24 2k20 n SER 35 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2k20 h LYS 36 N 6.41 0.00 0.00 -1.46 -0.00 -2.00 -3.20 116.57 116.33 2k20 h LYS 36 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.20 2k20 h LYS 36 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 2k20 h LYS 36 CO 0.90 0.05 -0.00 0.93 -0.00 0.00 0.00 179.45 181.33 2k20 h GLU 37 N 0.00 0.00 -6.01 0.07 5.08 -1.98 -3.48 114.58 108.27 2k20 h GLU 37 Ca -0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2k20 h GLU 37 Cb 0.10 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.24 2k20 h GLU 37 CO 0.01 0.00 -0.64 0.54 -1.00 0.00 0.00 179.01 177.92 2k20 s ASN 38 N -4.83 4.06 -1.19 1.42 2.20 -1.21 -5.02 114.94 110.38 2k20 s ASN 38 Ca -0.00 -1.04 -0.11 0.00 -0.94 0.00 0.00 52.86 50.78 2k20 s ASN 38 Cb 0.00 -0.49 -0.07 0.00 -2.00 0.00 0.00 41.25 38.70 2k20 s ASN 38 CO 0.00 -0.22 2.36 1.41 -2.94 0.00 0.00 177.10 177.71 2k20 n HIS 39 N -0.91 2.08 -4.10 1.54 8.25 -1.26 -3.31 115.22 117.52 2k20 n HIS 39 Ca -0.04 -2.43 -0.33 0.00 -0.26 0.00 0.00 57.72 54.66 2k20 n HIS 39 Cb 0.62 -2.06 -0.16 0.00 1.12 0.00 0.00 29.99 29.52 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 3.26 2.41 0.38 -1.41 0.00 -1.26 -4.90 121.76 120.23 2k20 s ALA 40 Ca 0.53 -1.34 -0.25 0.00 0.00 0.00 0.00 51.96 50.90 2k20 s ALA 40 Cb 0.14 -1.30 -0.12 0.00 0.00 0.00 0.00 23.12 21.84 2k20 s ALA 40 CO -0.03 -0.54 0.96 -0.40 0.00 0.00 0.00 175.76 175.75 2k20 n ASP 41 N 4.59 1.03 -0.46 0.00 5.75 -1.26 0.11 116.55 126.30 2k20 n ASP 41 Ca -0.19 1.07 0.07 0.00 -0.01 0.00 0.00 54.79 55.73 2k20 n ASP 41 Cb 0.48 -1.30 0.03 0.00 -1.03 0.00 0.00 41.12 39.30 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 0.84 1.87 0.00 -2.12 4.77 -0.24 -4.70 117.00 117.41 2k20 n LEU 42 Ca 0.10 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 2k20 n LEU 42 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2k20 n LEU 42 CO 0.58 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2k20 n GLY 43 N 0.92 0.68 3.61 -0.72 0.00 -1.26 -4.90 105.19 103.53 2k20 n GLY 43 Ca 0.07 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.01 3.90 0.05 -0.61 -0.00 -1.26 -1.85 121.20 120.42 2k20 s ILE 44 Ca 0.00 -0.40 0.09 0.00 -0.00 0.00 0.00 60.65 60.34 2k20 s ILE 44 Cb 0.00 -2.62 -0.03 0.00 -0.00 0.00 0.00 42.46 39.81 2k20 s ILE 44 CO 0.00 0.60 -0.26 -0.36 -0.00 0.00 0.00 174.94 174.92 2k20 s PHE 45 N -0.76 2.27 -0.41 1.37 0.08 -0.75 -0.96 117.98 118.81 2k20 s PHE 45 Ca 0.12 -0.41 -0.27 0.00 0.12 0.00 0.00 56.93 56.49 2k20 s PHE 45 Cb -0.11 -1.35 -0.05 0.00 -0.57 0.00 0.00 43.02 40.94 2k20 s PHE 45 CO 0.02 0.14 2.17 0.08 -0.10 0.00 0.00 175.22 177.53 2k20 s VAL 46 N -0.83 3.14 0.05 -0.44 1.01 -0.76 -2.22 120.40 120.35 2k20 s VAL 46 Ca 0.11 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.02 2k20 s VAL 46 Cb -0.10 -3.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.89 2k20 s VAL 46 CO 0.02 -0.22 1.36 0.50 0.00 0.00 0.00 175.10 176.77 2k20 h LYS 47 N 16.52 0.44 -1.52 2.72 1.63 0.14 1.08 116.57 137.57 2k20 h LYS 47 Ca -0.31 -0.23 0.11 0.00 -0.85 0.00 0.00 60.65 59.37 2k20 h LYS 47 Cb 1.23 0.01 -0.26 0.00 -0.60 0.00 0.00 32.23 32.61 2k20 h LYS 47 CO 1.09 0.80 0.29 0.45 -3.45 0.00 0.00 179.45 178.63 2k20 s SER 48 N -6.22 -0.60 -0.22 4.20 0.15 -0.86 -4.75 113.70 105.40 2k20 s SER 48 Ca -0.14 0.93 -0.20 0.00 0.70 0.00 0.00 55.95 57.24 2k20 s SER 48 Cb 0.06 1.35 -0.03 0.00 -1.71 0.00 0.00 66.02 65.70 2k20 s SER 48 CO 0.77 -0.14 0.59 -0.63 1.20 0.00 0.00 173.24 175.03 2k20 s ILE 49 N 1.63 5.04 -0.24 6.45 1.01 -1.26 0.54 121.20 134.37 2k20 s ILE 49 Ca -0.08 1.09 -0.28 0.00 0.00 0.00 0.00 60.65 61.38 2k20 s ILE 49 Cb -0.05 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2k20 s ILE 49 CO -0.16 0.10 2.15 -0.63 0.00 0.00 0.00 174.94 176.41 2k20 s ILE 50 N 2.03 3.08 -0.82 2.92 1.09 0.37 -4.82 121.20 125.05 2k20 s ILE 50 Ca 0.26 0.08 -0.25 0.00 -1.10 0.00 0.00 60.65 59.64 2k20 s ILE 50 Cb -0.16 -3.11 -0.21 0.00 -1.06 0.00 0.00 42.46 37.93 2k20 s ILE 50 CO 0.10 -0.07 1.91 -0.46 -0.10 0.00 0.00 174.94 176.32 2k20 n ASN 51 N 11.48 2.04 0.00 3.58 0.23 -1.26 -1.37 115.26 129.96 2k20 n ASN 51 Ca 0.29 -2.60 0.00 0.00 -0.53 0.00 0.00 54.58 51.74 2k20 n ASN 51 Cb 0.45 -1.34 0.00 0.00 -2.08 0.00 0.00 39.78 36.81 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 5.44 0.40 3.79 4.83 0.00 -1.26 -5.08 105.19 113.32 2k20 n GLY 52 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 2k20 n GLY 52 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k20 s GLY 53 N 0.00 1.60 0.32 -0.02 0.00 -0.47 -4.68 107.32 104.07 2k20 s GLY 53 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 44.72 44.40 2k20 s GLY 53 CO 0.00 0.13 1.58 0.00 0.00 0.00 0.00 173.10 174.81 2k20 h ALA 54 N -1.33 1.34 -0.69 3.20 0.00 0.15 0.24 119.26 122.15 2k20 h ALA 54 Ca -0.49 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k20 h ALA 54 Cb 1.30 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 2k20 h ALA 54 CO 0.60 -0.62 0.38 0.00 0.00 0.00 0.00 179.25 179.61 2k20 h ALA 55 N 1.97 0.89 0.00 0.00 0.00 -0.67 0.02 119.26 121.47 2k20 h ALA 55 Ca 0.63 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.36 2k20 h ALA 55 Cb 1.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2k20 h ALA 55 CO -0.88 0.40 -0.33 0.77 0.00 0.00 0.00 179.25 179.21 2k20 h SER 56 N 0.95 0.00 0.54 0.00 0.02 -0.77 -3.10 113.55 111.19 2k20 h SER 56 Ca 0.24 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.96 2k20 h SER 56 Cb 0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 2k20 h SER 56 CO -0.04 0.33 -1.03 0.11 -1.14 0.00 0.00 176.83 175.07 2k20 h LYS 57 N 0.00 0.28 -0.38 3.45 1.57 -0.49 -3.22 116.57 117.79 2k20 h LYS 57 Ca -0.00 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2k20 h LYS 57 Cb 0.97 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 2k20 h LYS 57 CO 0.04 1.10 0.23 0.22 -0.57 0.00 0.00 179.45 180.47 2k20 h ASP 58 N 0.13 0.44 -0.51 0.86 3.58 -0.93 -3.46 116.42 116.53 2k20 h ASP 58 Ca -0.08 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.19 2k20 h ASP 58 Cb 1.70 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.59 2k20 h ASP 58 CO 0.17 0.34 -0.15 0.61 -2.88 0.00 0.00 179.24 177.32 2k20 n GLY 59 N -1.43 0.78 0.00 -0.78 0.00 -1.22 -4.86 105.19 97.68 2k20 n GLY 59 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.56 1.57 -2.62 1.61 1.74 -1.26 -5.05 116.66 110.09 2k20 n ARG 60 Ca -0.08 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.60 2k20 n ARG 60 Cb 0.32 -0.87 -0.05 0.00 -1.02 0.00 0.00 32.46 30.84 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 -2.23 4.58 -0.00 0.55 1.02 -1.26 -5.05 118.68 116.28 2k20 s LEU 61 Ca 0.00 2.06 0.01 0.00 0.02 0.00 0.00 54.13 56.23 2k20 s LEU 61 Cb 0.00 -3.61 -0.00 0.00 0.02 0.00 0.00 46.19 42.59 2k20 s LEU 61 CO 0.00 -0.02 -0.04 -0.13 0.02 0.00 0.00 176.35 176.18 2k20 s ARG 62 N -1.02 0.34 0.42 1.70 3.00 -1.26 -4.94 118.95 117.18 2k20 s ARG 62 Ca 0.44 -0.15 -0.25 0.00 0.00 0.00 0.00 55.73 55.77 2k20 s ARG 62 Cb -0.28 -0.33 -0.08 0.00 0.00 0.00 0.00 34.95 34.26 2k20 s ARG 62 CO 0.35 0.09 1.24 0.08 0.00 0.00 0.00 175.30 177.06 2k20 s VAL 63 N -0.09 2.85 0.00 3.52 1.01 -1.26 -2.82 120.40 123.61 2k20 s VAL 63 Ca 0.01 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2k20 s VAL 63 Cb -0.02 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2k20 s VAL 63 CO -0.00 0.07 0.00 0.59 0.00 0.00 0.00 175.10 175.75 2k20 n ASN 64 N -0.07 -2.02 -4.69 3.32 3.02 0.37 -4.91 115.26 110.28 2k20 n ASN 64 Ca 0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 2k20 n ASN 64 Cb 0.45 -0.34 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 2k20 n ASN 64 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k20 s ASP 65 N -2.19 6.99 0.06 6.41 -1.08 -1.13 -4.67 116.67 121.07 2k20 s ASP 65 Ca 0.00 1.21 -0.30 0.00 -0.52 0.00 0.00 52.55 52.94 2k20 s ASP 65 Cb 0.00 -2.45 -0.05 0.00 -1.46 0.00 0.00 42.92 38.96 2k20 s ASP 65 CO 0.00 -0.30 1.04 -1.58 0.52 0.00 0.00 175.17 174.85 2k20 s GLN 66 N 1.64 4.57 0.14 4.34 0.74 -0.75 -1.83 119.66 128.50 2k20 s GLN 66 Ca 0.39 1.54 -0.20 0.00 0.05 0.00 0.00 55.36 57.14 2k20 s GLN 66 Cb -0.17 -3.39 -0.07 0.00 1.10 0.00 0.00 33.01 30.47 2k20 s GLN 66 CO 0.15 -0.01 0.65 -0.51 -0.55 0.00 0.00 175.29 175.03 2k20 s LEU 67 N 0.58 4.49 0.00 3.68 1.43 -0.14 0.66 118.68 129.39 2k20 s LEU 67 Ca 0.52 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 2k20 s LEU 67 Cb -0.24 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 42.80 2k20 s LEU 67 CO 0.30 0.19 0.00 -0.38 0.23 0.00 0.00 176.35 176.69 2k20 n ILE 68 N 1.39 0.00 -3.69 -0.59 5.41 0.31 -4.54 119.36 117.65 2k20 n ILE 68 Ca -0.07 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.54 2k20 n ILE 68 Cb 0.50 -0.50 -0.08 0.00 -0.71 0.00 0.00 39.64 38.85 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 -1.75 -1.16 -0.04 -1.39 0.00 -0.77 -1.01 121.76 115.63 2k20 s ALA 69 Ca 0.00 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.96 2k20 s ALA 69 Cb 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.81 2k20 s ALA 69 CO 0.00 -0.27 -0.06 0.54 0.00 0.00 0.00 175.76 175.98 2k20 s VAL 70 N -0.59 0.63 -1.59 0.00 0.11 -0.62 0.49 120.40 118.84 2k20 s VAL 70 Ca -0.07 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 2k20 s VAL 70 Cb -0.03 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2k20 s VAL 70 CO 0.04 0.24 0.00 0.59 -3.33 0.00 0.00 175.10 172.64 2k20 n ASN 71 N 3.95 -5.19 0.00 3.54 3.02 0.93 -1.25 115.26 120.26 2k20 n ASN 71 Ca -0.25 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2k20 n ASN 71 Cb 0.51 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 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 -0.63 0.75 2.73 7.41 0.00 -1.26 -4.92 105.19 109.27 2k20 n GLY 72 Ca -0.15 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.23 0.71 0.80 1.61 2.02 -0.38 -5.13 118.70 116.11 2k20 s GLU 73 Ca 0.00 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 54.06 2k20 s GLU 73 Cb 0.00 -2.01 0.08 0.00 0.10 0.00 0.00 34.13 32.30 2k20 s GLU 73 CO 0.00 -0.85 1.16 -1.12 0.02 0.00 0.00 175.26 174.48 2k20 s SER 74 N 1.72 3.78 0.00 -0.19 0.01 -1.26 -1.58 113.70 116.17 2k20 s SER 74 Ca 0.05 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.52 2k20 s SER 74 Cb -0.17 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2k20 s SER 74 CO -0.19 -2.53 0.88 0.18 0.41 0.00 0.00 173.24 171.98 2k20 n LEU 75 N -3.40 1.56 0.28 2.44 4.32 -0.18 -4.71 117.00 117.31 2k20 n LEU 75 Ca 0.12 -1.56 0.14 0.00 -0.02 0.00 0.00 56.01 54.68 2k20 n LEU 75 Cb 0.51 0.00 0.84 0.00 -1.62 0.00 0.00 43.42 43.15 2k20 n LEU 75 CO 0.49 0.39 1.07 0.25 -1.22 0.00 0.00 177.39 178.37 2k20 h LEU 76 N 0.00 0.00 -3.20 2.23 5.85 -1.93 -1.48 115.31 116.79 2k20 h LEU 76 Ca 0.00 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 2k20 h LEU 76 Cb 0.57 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.48 2k20 h LEU 76 CO 0.00 0.04 0.27 0.61 -0.34 0.00 0.00 178.44 179.02 2k20 n GLY 77 N -1.15 3.28 3.30 3.75 0.00 -1.26 -4.91 105.19 108.20 2k20 n GLY 77 Ca -0.03 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.35 1.03 0.81 1.61 -2.85 -0.56 -5.15 119.74 112.28 2k20 s LYS 78 Ca 0.41 -0.83 -0.11 0.00 -1.00 0.00 0.00 55.97 54.43 2k20 s LYS 78 Cb 0.33 0.43 0.08 0.00 -2.06 0.00 0.00 37.83 36.61 2k20 s LYS 78 CO 0.10 -0.38 1.13 0.00 0.10 0.00 0.00 175.35 176.29 2k20 s ALA 79 N -3.84 1.95 0.15 0.59 0.00 -1.26 -4.74 121.76 114.61 2k20 s ALA 79 Ca 0.05 0.51 -0.17 0.00 0.00 0.00 0.00 51.96 52.35 2k20 s ALA 79 Cb 0.03 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.81 2k20 s ALA 79 CO -0.10 -2.12 1.75 -2.95 0.00 0.00 0.00 175.76 172.34 2k20 h ASN 80 N -1.18 0.14 -0.84 0.00 7.08 -1.90 0.18 115.58 119.07 2k20 h ASN 80 Ca -0.44 0.03 0.04 0.00 -3.08 0.00 0.00 56.30 52.85 2k20 h ASN 80 Cb 1.26 0.01 -0.05 0.00 -2.08 0.00 0.00 38.32 37.46 2k20 h ASN 80 CO 0.48 0.12 0.55 0.06 -2.08 0.00 0.00 177.43 176.55 2k20 h GLN 81 N 0.27 0.98 -0.27 4.14 -0.00 -1.95 0.27 115.11 118.55 2k20 h GLN 81 Ca 0.15 -0.06 -0.16 0.00 -0.00 0.00 0.00 58.65 58.57 2k20 h GLN 81 Cb 0.11 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.48 27.36 2k20 h GLN 81 CO -0.14 0.65 -0.49 0.93 -0.00 0.00 0.00 178.83 179.77 2k20 h GLU 82 N 1.01 0.74 -0.21 0.06 4.39 -1.72 -1.50 114.58 117.35 2k20 h GLU 82 Ca 0.34 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 2k20 h GLU 82 Cb 0.07 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2k20 h GLU 82 CO -0.11 1.06 -0.04 0.00 -1.16 0.00 0.00 179.01 178.76 2k20 h ALA 83 N 0.86 0.29 0.00 3.43 0.00 0.43 0.87 119.26 125.14 2k20 h ALA 83 Ca 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2k20 h ALA 83 Cb 1.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2k20 h ALA 83 CO 0.10 0.06 -0.21 0.00 0.00 0.00 0.00 179.25 179.21 2k20 h MET 84 N 0.13 0.00 0.01 0.00 -0.00 -0.50 0.18 114.93 114.75 2k20 h MET 84 Ca 0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.53 2k20 h MET 84 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.06 2k20 h MET 84 CO 0.02 0.21 -1.09 1.49 -0.00 0.00 0.00 176.91 177.54 2k20 h GLU 85 N 0.00 0.01 -0.14 -0.10 4.57 -0.93 -1.67 114.58 116.33 2k20 h GLU 85 Ca -0.00 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.00 2k20 h GLU 85 Cb 0.37 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2k20 h GLU 85 CO 0.03 0.96 -0.58 1.15 -1.18 0.00 0.00 179.01 179.39 2k20 h THR 86 N 0.00 1.34 0.07 0.32 2.02 0.20 -1.36 112.91 115.51 2k20 h THR 86 Ca -0.05 -1.87 -0.24 0.00 0.77 0.00 0.00 66.41 65.02 2k20 h THR 86 Cb 1.81 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 70.08 2k20 h THR 86 CO 0.13 0.57 -1.09 0.17 0.37 0.00 0.00 175.52 175.67 2k20 h LEU 87 N 0.34 0.38 0.17 2.58 8.10 -0.73 -1.02 115.31 125.13 2k20 h LEU 87 Ca -0.00 -0.37 -0.01 0.00 0.11 0.00 0.00 57.88 57.62 2k20 h LEU 87 Cb 1.11 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 41.21 2k20 h LEU 87 CO 0.10 1.23 -0.10 0.03 -4.11 0.00 0.00 178.44 175.59 2k20 h ARG 88 N 0.11 -0.26 -0.07 0.17 3.08 -1.15 1.01 114.38 117.27 2k20 h ARG 88 Ca -0.10 0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.81 2k20 h ARG 88 Cb 1.79 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.89 2k20 h ARG 88 CO 0.18 -0.17 -0.67 0.07 -1.07 0.00 0.00 179.97 178.31 2k20 h ARG 89 N -0.27 0.30 0.00 0.04 -0.00 -1.32 -0.86 114.38 112.27 2k20 h ARG 89 Ca -0.02 -0.23 -0.11 0.00 -0.00 0.00 0.00 59.98 59.63 2k20 h ARG 89 Cb 0.22 0.04 -0.02 0.00 -0.00 0.00 0.00 29.97 30.22 2k20 h ARG 89 CO 0.02 0.86 -0.51 0.77 -0.00 0.00 0.00 179.97 181.11 2k20 h SER 90 N 0.21 0.00 1.13 0.08 0.02 -0.88 -0.25 113.55 113.86 2k20 h SER 90 Ca -0.02 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2k20 h SER 90 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2k20 h SER 90 CO 0.11 0.51 -0.91 0.00 -1.14 0.00 0.00 176.83 175.40 2k20 h MET 91 N 0.00 0.00 -0.25 3.45 -0.00 0.12 1.07 114.93 119.31 2k20 h MET 91 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.51 2k20 h MET 91 Cb 0.92 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.38 2k20 h MET 91 CO 0.07 0.23 -0.57 0.45 -0.00 0.00 0.00 176.91 177.09 2k20 n SER 92 N -2.94 2.77 0.00 -0.10 2.88 -0.34 -2.92 113.62 112.97 2k20 n SER 92 Ca -0.03 -3.86 0.00 0.00 -1.33 0.00 0.00 58.87 53.66 2k20 n SER 92 Cb 0.70 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -0.99 0.00 0.00 2.46 5.66 -0.12 -4.91 114.28 116.37 2k20 n THR 93 Ca 0.28 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.28 2k20 n THR 93 Cb 0.79 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.57 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 -0.36 0.95 0.07 1.09 1.02 -1.08 -4.47 120.64 117.87 2k20 n GLU 94 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2k20 n GLU 94 Cb 0.00 -0.93 -0.13 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.17 1.73 0.62 0.00 0.98 -3.29 103.07 103.28 2k20 h GLY 95 Ca 0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 2k20 h GLY 95 CO 0.00 0.38 -0.67 -0.57 0.00 0.00 0.00 176.54 175.69 2k20 h ASN 96 N 0.04 0.31 -0.98 0.19 -0.00 -1.72 0.15 115.58 113.57 2k20 h ASN 96 Ca -0.14 -0.20 0.28 0.00 -0.00 0.00 0.00 56.30 56.24 2k20 h ASN 96 Cb 1.92 -0.09 -0.18 0.00 -0.00 0.00 0.00 38.32 39.97 2k20 h ASN 96 CO 0.16 0.89 0.06 0.11 -0.00 0.00 0.00 177.43 178.65 2k20 h LYS 97 N 0.19 0.01 0.00 6.67 1.79 -1.78 0.65 116.57 124.11 2k20 h LYS 97 Ca -0.02 -0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 2k20 h LYS 97 Cb 1.20 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 2k20 h LYS 97 CO 0.11 0.01 -1.37 2.89 -1.08 0.00 0.00 179.45 180.01 2k20 n ARG 98 N -5.47 0.62 0.00 3.15 0.00 -1.22 -4.97 116.66 108.77 2k20 n ARG 98 Ca 0.24 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.27 2k20 n ARG 98 Cb 0.78 -1.79 0.00 0.00 -0.00 0.00 0.00 32.46 31.45 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 1.35 1.16 3.45 2.89 0.00 0.23 -5.07 105.19 109.20 2k20 n GLY 99 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.08 0.77 0.02 1.61 0.00 0.49 -0.72 119.30 121.39 2k20 s MET 100 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 55.69 56.25 2k20 s MET 100 Cb 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 34.83 35.16 2k20 s MET 100 CO 0.00 -0.16 -0.08 -1.50 0.00 0.00 0.00 175.02 173.28 2k20 s ILE 101 N -0.31 3.51 0.18 3.16 2.07 0.97 -4.39 121.20 126.39 2k20 s ILE 101 Ca -0.05 -0.90 -0.21 0.00 -1.41 0.00 0.00 60.65 58.09 2k20 s ILE 101 Cb -0.03 -2.54 -0.08 0.00 0.13 0.00 0.00 42.46 39.94 2k20 s ILE 101 CO 0.04 0.34 0.70 -1.58 -1.91 0.00 0.00 174.94 172.52 2k20 s GLN 102 N -1.55 4.31 -0.01 3.50 0.74 -1.26 -0.08 119.66 125.30 2k20 s GLN 102 Ca 0.18 0.89 0.02 0.00 0.05 0.00 0.00 55.36 56.51 2k20 s GLN 102 Cb -0.11 -3.05 -0.00 0.00 1.10 0.00 0.00 33.01 30.95 2k20 s GLN 102 CO 0.08 0.49 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.73 2k20 s LEU 103 N -1.60 1.97 -0.20 3.68 2.01 0.12 -0.05 118.68 124.60 2k20 s LEU 103 Ca 0.38 -0.15 0.00 0.00 0.01 0.00 0.00 54.13 54.38 2k20 s LEU 103 Cb -0.19 -0.42 0.05 0.00 0.01 0.00 0.00 46.19 45.64 2k20 s LEU 103 CO 0.22 0.09 -0.06 -0.63 1.01 0.00 0.00 176.35 176.98 2k20 s ILE 104 N -0.11 1.36 0.43 -0.59 1.01 0.18 0.03 121.20 123.51 2k20 s ILE 104 Ca 0.02 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2k20 s ILE 104 Cb -0.04 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 2k20 s ILE 104 CO -0.00 0.02 0.06 0.68 0.00 0.00 0.00 174.94 175.70 2k20 s VAL 105 N 1.50 1.02 -0.11 2.92 -7.23 -0.69 0.11 120.40 117.93 2k20 s VAL 105 Ca -0.02 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.06 2k20 s VAL 105 Cb -0.17 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.38 2k20 s VAL 105 CO -0.07 0.00 0.28 0.00 -0.31 0.00 0.00 175.10 175.00 2k20 s ALA 106 N -3.06 -0.68 0.33 1.32 0.00 0.21 0.27 121.76 120.15 2k20 s ALA 106 Ca 0.21 0.90 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 2k20 s ALA 106 Cb 0.04 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2k20 s ALA 106 CO 0.11 -0.16 0.49 2.89 0.00 0.00 0.00 175.76 179.10 2k20 n ARG 107 N 3.38 0.71 -3.57 0.00 -4.01 -0.85 -1.81 116.66 110.51 2k20 n ARG 107 Ca -0.17 -2.50 -0.34 0.00 -1.04 0.00 0.00 57.85 53.80 2k20 n ARG 107 Cb 0.56 2.50 -0.05 0.00 -3.04 0.00 0.00 32.46 32.43 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 -2.64 3.75 -0.05 2.89 6.06 -1.26 -1.62 118.95 126.08 2k20 s ARG 108 Ca 0.25 0.15 -0.06 0.00 -2.50 0.00 0.00 55.73 53.56 2k20 s ARG 108 Cb -0.01 -2.94 -0.04 0.00 0.06 0.00 0.00 34.95 32.02 2k20 s ARG 108 CO 0.18 0.52 0.32 0.82 -2.50 0.00 0.00 175.30 174.64 2k20 h ILE 109 N 2.66 0.00 0.00 4.11 2.04 -1.58 -3.49 117.51 121.25 2k20 h ILE 109 Ca -0.48 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2k20 h ILE 109 Cb 1.19 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2k20 h ILE 109 CO 0.68 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 177.63