#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k20 s THR 8 N 0.00 1.03 -0.06 2.61 -4.23 -1.26 -5.06 115.64 108.67 2k20 s THR 8 Ca 0.00 -3.10 0.01 0.00 -1.18 0.00 0.00 61.69 57.42 2k20 s THR 8 Cb 0.00 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 72.16 2k20 s THR 8 CO 0.00 -1.18 -0.06 -0.60 -0.54 0.00 0.00 174.62 172.25 2k20 s ARG 9 N -0.36 1.04 -0.03 3.99 3.52 -1.26 -3.31 118.95 122.55 2k20 s ARG 9 Ca 0.31 -0.15 0.04 0.00 -0.13 0.00 0.00 55.73 55.80 2k20 s ARG 9 Cb 0.02 -1.05 -0.00 0.00 -1.56 0.00 0.00 34.95 32.35 2k20 s ARG 9 CO -0.19 -0.12 -0.15 -1.83 -0.81 0.00 0.00 175.30 172.21 2k20 s GLU 10 N 1.12 1.40 0.25 5.12 -1.05 -0.65 -4.97 118.70 119.92 2k20 s GLU 10 Ca -0.07 -0.51 -0.16 0.00 -0.15 0.00 0.00 54.97 54.08 2k20 s GLU 10 Cb -0.14 -1.27 -0.08 0.00 -0.44 0.00 0.00 34.13 32.19 2k20 s GLU 10 CO -0.01 0.24 0.68 -0.06 0.95 0.00 0.00 175.26 177.06 2k20 s PHE 11 N -0.05 3.50 -0.17 4.83 0.08 -1.26 -2.03 117.98 122.87 2k20 s PHE 11 Ca -0.00 1.21 -0.04 0.00 0.12 0.00 0.00 56.93 58.22 2k20 s PHE 11 Cb -0.09 -2.51 0.06 0.00 -0.57 0.00 0.00 43.02 39.91 2k20 s PHE 11 CO 0.01 0.24 0.07 -0.51 -0.10 0.00 0.00 175.22 174.92 2k20 s LEU 12 N -2.49 0.67 -0.20 -0.37 1.43 0.16 -4.96 118.68 112.92 2k20 s LEU 12 Ca 0.47 -0.67 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 2k20 s LEU 12 Cb -0.13 -0.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 2k20 s LEU 12 CO 0.19 -0.33 0.07 -0.89 0.23 0.00 0.00 176.35 175.62 2k20 s THR 13 N 2.03 4.74 0.24 5.49 2.01 -1.26 -1.09 115.64 127.81 2k20 s THR 13 Ca 0.01 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2k20 s THR 13 Cb -0.16 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 2k20 s THR 13 CO -0.08 0.43 0.20 -0.36 -0.69 0.00 0.00 174.62 174.12 2k20 s PHE 14 N 0.61 1.26 -0.21 4.92 0.08 0.10 -4.97 117.98 119.78 2k20 s PHE 14 Ca 0.04 -1.41 -0.00 0.00 0.12 0.00 0.00 56.93 55.67 2k20 s PHE 14 Cb -0.13 -0.54 0.06 0.00 -0.57 0.00 0.00 43.02 41.84 2k20 s PHE 14 CO 0.01 -0.74 -0.04 -1.21 -0.10 0.00 0.00 175.22 173.15 2k20 s GLU 15 N -3.93 1.44 -0.34 0.44 8.01 -1.26 0.26 118.70 123.32 2k20 s GLU 15 Ca 0.38 -0.80 -0.10 0.00 0.01 0.00 0.00 54.97 54.46 2k20 s GLU 15 Cb 0.05 -2.39 0.00 0.00 -4.31 0.00 0.00 34.13 27.48 2k20 s GLU 15 CO 0.16 -0.57 0.18 0.08 0.01 0.00 0.00 175.26 175.12 2k20 s VAL 16 N 1.52 4.65 -0.09 2.63 1.01 0.85 -4.89 120.40 126.09 2k20 s VAL 16 Ca -0.04 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 2k20 s VAL 16 Cb -0.18 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2k20 s VAL 16 CO -0.07 -0.05 0.82 -2.16 0.00 0.00 0.00 175.10 173.64 2k20 s PRO 17 N 1.60 4.41 -0.18 2.72 0.04 -1.26 -0.10 135.00 142.23 2k20 s PRO 17 Ca 0.04 1.06 0.13 0.00 0.04 0.00 0.00 61.00 62.27 2k20 s PRO 17 Cb -0.18 -3.50 0.42 0.00 0.04 0.00 0.00 34.50 31.29 2k20 s PRO 17 CO 0.07 -0.11 1.21 1.47 0.04 0.00 0.00 177.00 179.68 2k20 n LEU 18 N 4.36 2.50 -0.48 -3.56 -0.00 0.17 -4.52 117.00 115.47 2k20 n LEU 18 Ca 0.03 -3.67 0.39 0.00 -0.00 0.00 0.00 56.01 52.75 2k20 n LEU 18 Cb 0.50 -0.46 0.62 0.00 -0.00 0.00 0.00 43.42 44.08 2k20 n LEU 18 CO 0.49 1.30 1.13 -0.46 -0.00 0.00 0.00 177.39 179.84 2k20 n ASN 19 N -0.91 0.11 -0.05 1.45 2.04 -1.18 0.15 115.26 116.87 2k20 n ASN 19 Ca 0.17 1.06 -0.06 0.00 -0.44 0.00 0.00 54.58 55.32 2k20 n ASN 19 Cb 0.75 -0.52 -0.06 0.00 -2.53 0.00 0.00 39.78 37.41 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 -4.13 3.01 0.12 0.53 8.00 -1.26 -4.49 116.55 118.32 2k20 n ASP 20 Ca 0.36 -0.03 0.10 0.00 0.71 0.00 0.00 54.79 55.93 2k20 n ASP 20 Cb 1.48 0.32 0.46 0.00 -0.02 0.00 0.00 41.12 43.36 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 -2.54 0.51 -0.28 -2.24 2.88 0.68 -3.11 113.62 109.53 2k20 n SER 21 Ca -0.16 0.66 0.34 0.00 -1.33 0.00 0.00 58.87 58.38 2k20 n SER 21 Cb 0.75 -0.76 0.69 0.00 -0.75 0.00 0.00 64.21 64.14 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 1.44 0.00 1.37 0.46 0.00 0.11 1.09 103.07 107.55 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 -1.43 0.23 0.00 0.00 0.00 176.54 175.34 2k20 h SER 23 N 0.00 0.46 1.35 0.19 0.87 -1.81 -3.31 113.55 111.29 2k20 h SER 23 Ca 0.53 -0.56 -0.10 0.00 -1.23 0.00 0.00 61.79 60.43 2k20 h SER 23 Cb 2.42 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 64.22 2k20 h SER 23 CO -0.01 1.45 -0.67 0.00 -0.53 0.00 0.00 176.83 177.08 2k20 h ALA 24 N 0.48 0.69 0.00 6.23 0.00 0.20 -3.48 119.26 123.38 2k20 h ALA 24 Ca -0.21 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2k20 h ALA 24 Cb 2.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2k20 h ALA 24 CO 0.19 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.44 2k20 n GLY 25 N 1.25 3.22 0.00 0.00 0.00 0.31 -4.63 105.19 105.34 2k20 n GLY 25 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.69 117.00 120.01 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 1.73 3.41 -3.96 0.00 -1.26 0.21 105.19 105.32 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 0.02 -0.22 1.61 -7.23 -1.26 0.15 120.40 111.47 2k20 s VAL 28 Ca 0.00 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 2k20 s VAL 28 Cb 0.00 -1.02 0.03 0.00 0.56 0.00 0.00 36.38 35.95 2k20 s VAL 28 CO 0.00 -0.09 -0.12 -0.44 -0.31 0.00 0.00 175.10 174.14 2k20 s SER 29 N -2.31 3.90 -0.04 4.85 0.01 0.20 -4.86 113.70 115.45 2k20 s SER 29 Ca -0.02 -0.89 -0.00 0.00 1.31 0.00 0.00 55.95 56.35 2k20 s SER 29 Cb -0.00 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.62 2k20 s SER 29 CO -0.06 -0.09 0.02 0.68 0.41 0.00 0.00 173.24 174.19 2k20 s VAL 30 N 1.27 4.34 -0.01 3.43 -7.23 -1.26 0.14 120.40 121.08 2k20 s VAL 30 Ca 0.00 -0.40 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2k20 s VAL 30 Cb -0.16 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 33.90 2k20 s VAL 30 CO -0.08 0.48 0.01 -1.59 -0.31 0.00 0.00 175.10 173.61 2k20 s LYS 31 N -1.28 0.05 0.29 4.82 0.00 -0.93 -4.86 119.74 117.83 2k20 s LYS 31 Ca 0.17 0.07 -0.09 0.00 0.00 0.00 0.00 55.97 56.12 2k20 s LYS 31 Cb -0.11 -0.17 -0.07 0.00 0.00 0.00 0.00 37.83 37.48 2k20 s LYS 31 CO 0.07 -0.07 0.62 0.20 0.00 0.00 0.00 175.35 176.17 2k20 s GLY 32 N 0.50 2.09 0.32 0.59 0.00 -1.26 -1.37 107.32 108.19 2k20 s GLY 32 Ca -0.04 -0.31 0.10 0.00 0.00 0.00 0.00 44.72 44.46 2k20 s GLY 32 CO -0.01 -0.16 -0.12 -1.31 0.00 0.00 0.00 173.10 171.50 2k20 s ASN 33 N -2.76 3.57 0.14 1.64 0.01 -0.69 -4.96 114.94 111.88 2k20 s ASN 33 Ca 0.48 -1.16 0.09 0.00 -0.71 0.00 0.00 52.86 51.57 2k20 s ASN 33 Cb -0.11 -0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.20 2k20 s ASN 33 CO 0.26 -0.16 -0.17 -0.60 -1.51 0.00 0.00 177.10 174.91 2k20 s ARG 34 N -3.60 1.80 1.09 -0.60 3.52 -1.26 0.50 118.95 120.40 2k20 s ARG 34 Ca 0.31 -1.26 -0.18 0.00 -0.13 0.00 0.00 55.73 54.48 2k20 s ARG 34 Cb 0.01 -2.08 0.09 0.00 -1.56 0.00 0.00 34.95 31.41 2k20 s ARG 34 CO 0.15 0.46 0.06 0.45 -0.81 0.00 0.00 175.30 175.61 2k20 n SER 35 N 0.53 -2.34 0.20 -2.12 2.88 0.37 -4.79 113.62 108.35 2k20 n SER 35 Ca -0.14 -0.03 -0.13 0.00 -1.33 0.00 0.00 58.87 57.24 2k20 n SER 35 Cb 0.54 -1.00 -0.07 0.00 -0.75 0.00 0.00 64.21 62.92 2k20 n SER 35 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2k20 h LYS 36 N -1.96 -0.52 0.00 -1.46 1.57 -1.98 -3.35 116.57 108.87 2k20 h LYS 36 Ca -0.52 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.24 2k20 h LYS 36 Cb 1.35 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.76 2k20 h LYS 36 CO 0.37 -0.21 -1.22 -1.91 -0.57 0.00 0.00 179.45 175.91 2k20 n GLU 37 N -5.19 0.70 0.20 3.15 2.13 -1.26 -4.63 120.64 115.74 2k20 n GLU 37 Ca -0.10 0.02 0.18 0.00 0.66 0.00 0.00 57.16 57.92 2k20 n GLU 37 Cb 0.29 -1.08 0.82 0.00 0.27 0.00 0.00 31.44 31.74 2k20 n GLU 37 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2k20 h ASN 38 N 0.00 0.00 -3.68 4.31 2.35 -1.98 -3.45 115.58 113.14 2k20 h ASN 38 Ca -0.09 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.26 2k20 h ASN 38 Cb 1.15 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.54 2k20 h ASN 38 CO -0.01 0.00 -0.56 1.41 -1.65 0.00 0.00 177.43 176.62 2k20 n HIS 39 N -3.57 -1.48 -4.38 1.19 8.25 -1.26 -4.92 115.22 109.05 2k20 n HIS 39 Ca 0.03 0.28 -0.34 0.00 -0.26 0.00 0.00 57.72 57.42 2k20 n HIS 39 Cb 0.42 -4.18 -0.11 0.00 1.12 0.00 0.00 29.99 27.24 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 -3.10 3.15 0.04 -1.41 0.00 -1.26 -4.67 121.76 114.51 2k20 s ALA 40 Ca 0.16 -0.82 -0.32 0.00 0.00 0.00 0.00 51.96 50.99 2k20 s ALA 40 Cb -0.07 -1.51 -0.11 0.00 0.00 0.00 0.00 23.12 21.43 2k20 s ALA 40 CO 0.20 0.41 1.88 -0.25 0.00 0.00 0.00 175.76 178.00 2k20 n ASP 41 N 2.78 3.86 0.04 0.00 8.00 -1.26 0.14 116.55 130.11 2k20 n ASP 41 Ca -0.18 0.96 -0.08 0.00 0.71 0.00 0.00 54.79 56.20 2k20 n ASP 41 Cb 0.53 -1.48 -0.13 0.00 -0.02 0.00 0.00 41.12 40.02 2k20 n ASP 41 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2k20 h LEU 42 N 9.28 0.02 0.00 0.64 3.38 -0.26 -3.45 115.31 124.92 2k20 h LEU 42 Ca -0.48 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2k20 h LEU 42 Cb 1.24 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2k20 h LEU 42 CO 0.94 1.02 0.00 0.61 0.09 0.00 0.00 178.44 181.10 2k20 n GLY 43 N 1.41 1.41 3.79 0.83 0.00 -1.25 -4.98 105.19 106.41 2k20 n GLY 43 Ca -0.05 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.25 5.44 0.03 -0.61 -0.00 -1.26 -1.71 121.20 121.83 2k20 s ILE 44 Ca 0.00 0.22 0.08 0.00 -0.00 0.00 0.00 60.65 60.94 2k20 s ILE 44 Cb 0.00 -3.45 -0.02 0.00 -0.00 0.00 0.00 42.46 38.99 2k20 s ILE 44 CO 0.00 0.51 -0.22 -0.36 -0.00 0.00 0.00 174.94 174.87 2k20 s PHE 45 N -0.21 1.97 -0.45 1.37 0.40 -0.47 -0.07 117.98 120.51 2k20 s PHE 45 Ca 0.11 -0.38 -0.29 0.00 -0.60 0.00 0.00 56.93 55.77 2k20 s PHE 45 Cb -0.12 -1.20 -0.09 0.00 0.51 0.00 0.00 43.02 42.12 2k20 s PHE 45 CO 0.01 0.06 2.36 0.28 0.70 0.00 0.00 175.22 178.63 2k20 n VAL 46 N 2.04 0.08 -0.01 -0.44 0.31 -0.66 -2.20 118.33 117.45 2k20 n VAL 46 Ca -0.17 -0.52 -0.17 0.00 -0.01 0.00 0.00 64.34 63.48 2k20 n VAL 46 Cb 0.53 -2.25 -0.09 0.00 -0.91 0.00 0.00 33.84 31.13 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 16.18 0.61 -1.54 5.55 1.63 0.92 0.85 116.57 140.77 2k20 h LYS 47 Ca -0.27 -0.54 0.11 0.00 -0.85 0.00 0.00 60.65 59.11 2k20 h LYS 47 Cb 1.28 0.12 -0.24 0.00 -0.60 0.00 0.00 32.23 32.79 2k20 h LYS 47 CO 1.11 1.15 0.19 0.45 -3.45 0.00 0.00 179.45 178.91 2k20 s SER 48 N -6.89 -0.71 -0.24 4.20 0.15 -0.86 -4.81 113.70 104.54 2k20 s SER 48 Ca -0.12 1.05 -0.20 0.00 0.70 0.00 0.00 55.95 57.38 2k20 s SER 48 Cb 0.06 1.54 -0.02 0.00 -1.71 0.00 0.00 66.02 65.89 2k20 s SER 48 CO 0.86 -0.16 0.61 -0.63 1.20 0.00 0.00 173.24 175.13 2k20 s ILE 49 N 1.96 5.00 -0.27 6.45 1.01 -1.26 0.58 121.20 134.66 2k20 s ILE 49 Ca -0.07 1.11 -0.28 0.00 0.00 0.00 0.00 60.65 61.41 2k20 s ILE 49 Cb -0.06 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2k20 s ILE 49 CO -0.17 0.05 2.15 -0.63 0.00 0.00 0.00 174.94 176.34 2k20 s ILE 50 N 2.35 3.11 -0.77 2.92 1.09 0.41 -4.84 121.20 125.46 2k20 s ILE 50 Ca 0.26 0.11 -0.25 0.00 -1.10 0.00 0.00 60.65 59.67 2k20 s ILE 50 Cb -0.16 -3.15 -0.20 0.00 -1.06 0.00 0.00 42.46 37.89 2k20 s ILE 50 CO 0.09 -0.10 1.88 -0.46 -0.10 0.00 0.00 174.94 176.25 2k20 n ASN 51 N 11.86 2.20 0.00 3.58 0.23 -1.26 -1.69 115.26 130.17 2k20 n ASN 51 Ca 0.29 -2.62 0.00 0.00 -0.53 0.00 0.00 54.58 51.72 2k20 n ASN 51 Cb 0.46 -1.25 0.00 0.00 -2.08 0.00 0.00 39.78 36.91 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 5.21 0.31 2.29 4.83 0.00 -1.26 -5.07 105.19 111.49 2k20 n GLY 52 Ca 0.47 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.49 0.33 -0.02 0.00 -0.68 -4.74 105.19 97.58 2k20 n GLY 53 Ca 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.40 1.05 -0.14 4.61 0.00 0.22 -1.57 119.26 121.04 2k20 h ALA 54 Ca -0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2k20 h ALA 54 Cb 0.80 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2k20 h ALA 54 CO 0.18 0.54 0.03 0.00 0.00 0.00 0.00 179.25 180.00 2k20 h ALA 55 N 1.25 0.19 0.00 0.00 0.00 0.49 -0.94 119.26 120.25 2k20 h ALA 55 Ca 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2k20 h ALA 55 Cb -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k20 h ALA 55 CO -0.05 -0.17 -0.15 1.03 0.00 0.00 0.00 179.25 179.91 2k20 h SER 56 N 0.03 0.00 0.83 0.00 0.87 -1.68 -1.52 113.55 112.08 2k20 h SER 56 Ca 0.04 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 2k20 h SER 56 Cb 0.27 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2k20 h SER 56 CO 0.00 0.15 -0.68 0.11 -0.53 0.00 0.00 176.83 175.88 2k20 h LYS 57 N 0.00 0.00 0.00 2.24 1.57 -0.91 -3.07 116.57 116.40 2k20 h LYS 57 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2k20 h LYS 57 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2k20 h LYS 57 CO 0.02 0.68 -0.12 -0.44 -0.57 0.00 0.00 179.45 179.02 2k20 h ASP 58 N 0.00 0.00 -0.99 0.86 5.19 -0.09 -3.46 116.42 117.93 2k20 h ASP 58 Ca -0.01 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 56.00 2k20 h ASP 58 Cb 1.28 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.63 2k20 h ASP 58 CO 0.09 0.12 -0.37 0.61 -3.12 0.00 0.00 179.24 176.56 2k20 n GLY 59 N -0.96 1.85 0.01 2.75 0.00 -1.16 -4.77 105.19 102.91 2k20 n GLY 59 Ca -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.44 3.12 -2.22 1.61 1.74 -1.26 -5.05 116.66 112.17 2k20 n ARG 60 Ca -0.20 -0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.52 2k20 n ARG 60 Cb 0.65 -1.04 0.01 0.00 -1.02 0.00 0.00 32.46 31.06 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 -3.94 3.75 -0.11 0.55 1.02 -1.26 -5.05 118.68 113.63 2k20 s LEU 61 Ca -0.01 2.22 -0.05 0.00 0.02 0.00 0.00 54.13 56.31 2k20 s LEU 61 Cb 0.01 -4.57 0.05 0.00 0.02 0.00 0.00 46.19 41.70 2k20 s LEU 61 CO 0.06 -1.27 0.26 -0.13 0.02 0.00 0.00 176.35 175.30 2k20 s ARG 62 N -3.26 0.21 0.45 1.70 0.52 -1.26 -5.01 118.95 112.30 2k20 s ARG 62 Ca 0.73 0.58 -0.24 0.00 -0.52 0.00 0.00 55.73 56.28 2k20 s ARG 62 Cb -0.25 -0.10 -0.09 0.00 0.52 0.00 0.00 34.95 35.02 2k20 s ARG 62 CO 0.28 -0.18 1.16 0.28 0.02 0.00 0.00 175.30 176.86 2k20 n VAL 63 N 4.39 2.72 -0.74 3.52 0.31 -1.26 -2.34 118.33 124.93 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 0.53 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 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 0.13 -2.22 -4.59 4.52 3.02 0.29 -4.90 115.26 111.52 2k20 n ASN 64 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 2k20 n ASN 64 Cb 0.40 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 39.15 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 -2.03 6.54 -0.10 6.41 1.11 -0.99 -4.67 116.67 122.94 2k20 s ASP 65 Ca 0.00 0.40 -0.30 0.00 0.18 0.00 0.00 52.55 52.83 2k20 s ASP 65 Cb 0.00 -2.37 -0.03 0.00 1.07 0.00 0.00 42.92 41.60 2k20 s ASP 65 CO 0.00 -0.61 1.23 -1.58 1.18 0.00 0.00 175.17 175.38 2k20 s GLN 66 N 2.86 4.31 0.14 8.23 -0.44 -0.69 -1.65 119.66 132.41 2k20 s GLN 66 Ca 0.29 1.67 -0.30 0.00 -2.50 0.00 0.00 55.36 54.52 2k20 s GLN 66 Cb -0.14 -3.63 -0.07 0.00 -1.64 0.00 0.00 33.01 27.53 2k20 s GLN 66 CO 0.14 -0.55 1.12 -0.51 0.50 0.00 0.00 175.29 176.00 2k20 s LEU 67 N 2.70 4.45 -0.05 3.68 1.43 0.90 0.55 118.68 132.34 2k20 s LEU 67 Ca 0.55 2.05 0.05 0.00 -1.03 0.00 0.00 54.13 55.76 2k20 s LEU 67 Cb -0.24 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.31 2k20 s LEU 67 CO 0.19 -0.30 0.04 -0.38 0.23 0.00 0.00 176.35 176.13 2k20 n ILE 68 N 2.89 0.31 -3.74 -0.59 5.41 0.39 -4.55 119.36 119.47 2k20 n ILE 68 Ca 0.05 -0.22 -0.09 0.00 1.00 0.00 0.00 62.75 63.49 2k20 n ILE 68 Cb 0.46 -0.61 -0.03 0.00 -0.71 0.00 0.00 39.64 38.76 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 -2.19 -1.17 -0.21 -1.39 0.00 -0.77 -1.24 121.76 114.79 2k20 s ALA 69 Ca -0.03 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.69 2k20 s ALA 69 Cb 0.02 0.87 0.08 0.00 0.00 0.00 0.00 23.12 24.09 2k20 s ALA 69 CO 0.23 -0.91 0.49 0.54 0.00 0.00 0.00 175.76 176.11 2k20 s VAL 70 N -3.88 -0.30 -2.08 0.00 0.11 -0.71 -1.68 120.40 111.86 2k20 s VAL 70 Ca 0.09 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2k20 s VAL 70 Cb -0.03 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 2k20 s VAL 70 CO 0.00 0.04 0.00 0.59 -3.33 0.00 0.00 175.10 172.40 2k20 n ASN 71 N 4.72 -5.18 0.00 3.54 3.02 0.10 -1.01 115.26 120.47 2k20 n ASN 71 Ca -0.17 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 2k20 n ASN 71 Cb 0.54 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.11 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 -0.37 1.11 2.82 7.41 0.00 -1.26 -4.89 105.19 110.01 2k20 n GLY 72 Ca -0.20 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.16 0.99 0.20 1.61 2.02 -0.18 -5.11 118.70 116.08 2k20 s GLU 73 Ca 0.00 -1.23 -0.30 0.00 0.02 0.00 0.00 54.97 53.45 2k20 s GLU 73 Cb 0.00 -2.35 -0.09 0.00 0.10 0.00 0.00 34.13 31.78 2k20 s GLU 73 CO 0.00 -0.92 1.42 0.45 0.02 0.00 0.00 175.26 176.23 2k20 s SER 74 N 1.43 6.73 0.02 -0.19 0.15 -1.26 -1.75 113.70 118.83 2k20 s SER 74 Ca 0.08 2.54 0.23 0.00 0.70 0.00 0.00 55.95 59.50 2k20 s SER 74 Cb -0.18 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 61.70 2k20 s SER 74 CO -0.18 -0.67 1.17 0.18 1.20 0.00 0.00 173.24 174.93 2k20 n LEU 75 N 2.93 0.67 -4.54 3.45 4.77 -0.37 -4.85 117.00 119.05 2k20 n LEU 75 Ca 0.08 -0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 55.74 2k20 n LEU 75 Cb 0.41 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 2k20 n LEU 75 CO 0.60 0.13 1.57 0.18 -1.33 0.00 0.00 177.39 178.54 2k20 n LEU 76 N -1.63 0.97 0.00 2.23 4.77 -1.26 -1.15 117.00 120.92 2k20 n LEU 76 Ca 0.04 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2k20 n LEU 76 Cb 0.36 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 2k20 n LEU 76 CO 0.39 -2.14 0.00 0.61 -1.33 0.00 0.00 177.39 174.91 2k20 n GLY 77 N 6.38 0.90 3.82 -0.72 0.00 -1.26 -5.14 105.19 109.17 2k20 n GLY 77 Ca 0.52 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 3.02 0.59 1.61 -2.85 -0.30 -5.08 119.74 116.72 2k20 s LYS 78 Ca 0.00 -0.71 -0.18 0.00 -1.00 0.00 0.00 55.97 54.08 2k20 s LYS 78 Cb 0.00 -2.76 -0.06 0.00 -2.06 0.00 0.00 37.83 32.94 2k20 s LYS 78 CO 0.00 0.54 0.80 0.00 0.10 0.00 0.00 175.35 176.79 2k20 n ALA 79 N 0.06 -0.32 -0.10 0.59 0.00 -1.26 -4.56 120.51 114.91 2k20 n ALA 79 Ca -0.08 -0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.60 2k20 n ALA 79 Cb 0.53 -2.00 0.69 0.00 0.00 0.00 0.00 19.45 18.66 2k20 n ALA 79 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2k20 h ASN 80 N 0.39 0.03 0.01 0.00 7.08 -1.91 0.27 115.58 121.46 2k20 h ASN 80 Ca -0.47 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 52.53 2k20 h ASN 80 Cb 1.38 -0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.62 2k20 h ASN 80 CO 0.49 0.02 -0.81 0.06 -2.08 0.00 0.00 177.43 175.11 2k20 h GLN 81 N 0.03 0.65 -0.14 4.14 -0.00 -1.96 -1.70 115.11 116.14 2k20 h GLN 81 Ca 0.35 -0.56 -0.13 0.00 -0.00 0.00 0.00 58.65 58.31 2k20 h GLN 81 Cb 1.35 0.13 -0.01 0.00 -0.00 0.00 0.00 27.48 28.94 2k20 h GLN 81 CO -0.02 1.18 -0.48 0.93 -0.00 0.00 0.00 178.83 180.44 2k20 h GLU 82 N 0.43 0.36 -0.21 0.06 5.08 -0.96 -2.05 114.58 117.29 2k20 h GLU 82 Ca -0.06 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 2k20 h GLU 82 Cb 1.43 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 2k20 h GLU 82 CO 0.16 0.76 -0.16 0.00 -1.00 0.00 0.00 179.01 178.77 2k20 h ALA 83 N 1.20 0.31 -0.06 3.43 0.00 -0.60 0.19 119.26 123.73 2k20 h ALA 83 Ca 0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2k20 h ALA 83 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2k20 h ALA 83 CO 0.08 0.21 -0.14 0.00 0.00 0.00 0.00 179.25 179.40 2k20 h MET 84 N 0.18 0.10 0.04 0.00 -0.00 -1.23 0.59 114.93 114.61 2k20 h MET 84 Ca 0.04 -0.02 -0.23 0.00 -0.00 0.00 0.00 59.70 59.50 2k20 h MET 84 Cb 0.69 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.26 2k20 h MET 84 CO 0.04 0.24 -1.02 1.49 -0.00 0.00 0.00 176.91 177.66 2k20 h GLU 85 N 0.10 0.19 -0.20 -0.10 4.57 -1.16 -1.69 114.58 116.28 2k20 h GLU 85 Ca 0.02 -0.26 -0.13 0.00 -1.18 0.00 0.00 59.36 57.81 2k20 h GLU 85 Cb 0.31 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2k20 h GLU 85 CO 0.02 1.05 -0.44 1.15 -1.18 0.00 0.00 179.01 179.61 2k20 h THR 86 N 0.08 1.31 0.06 0.32 2.02 0.41 -1.42 112.91 115.69 2k20 h THR 86 Ca -0.07 -1.62 -0.24 0.00 0.77 0.00 0.00 66.41 65.25 2k20 h THR 86 Cb 1.72 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 69.76 2k20 h THR 86 CO 0.16 0.50 -1.06 0.17 0.37 0.00 0.00 175.52 175.66 2k20 h LEU 87 N 0.39 0.38 0.11 2.58 8.10 -0.94 -1.68 115.31 124.25 2k20 h LEU 87 Ca 0.03 -0.35 -0.01 0.00 0.11 0.00 0.00 57.88 57.66 2k20 h LEU 87 Cb 0.93 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 41.03 2k20 h LEU 87 CO 0.08 1.21 -0.05 -0.09 -4.11 0.00 0.00 178.44 175.48 2k20 h ARG 88 N 0.11 -0.14 -0.08 0.17 2.43 -1.12 0.54 114.38 116.30 2k20 h ARG 88 Ca -0.09 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 58.94 2k20 h ARG 88 Cb 1.74 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.31 2k20 h ARG 88 CO 0.17 -0.05 -0.63 0.07 -1.51 0.00 0.00 179.97 178.03 2k20 h ARG 89 N -0.19 0.29 0.00 0.20 -0.00 -1.34 -0.91 114.38 112.42 2k20 h ARG 89 Ca -0.01 -0.21 -0.12 0.00 -0.00 0.00 0.00 59.98 59.64 2k20 h ARG 89 Cb 0.16 0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.14 2k20 h ARG 89 CO 0.02 0.82 -0.59 0.66 -0.00 0.00 0.00 179.97 180.89 2k20 h SER 90 N 0.21 0.00 1.23 0.08 4.64 -1.10 -0.39 113.55 118.23 2k20 h SER 90 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 2k20 h SER 90 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2k20 h SER 90 CO 0.10 0.59 -0.80 0.00 -0.87 0.00 0.00 176.83 175.85 2k20 h MET 91 N 0.00 0.00 -0.11 4.77 -0.00 0.24 0.98 114.93 120.81 2k20 h MET 91 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 2k20 h MET 91 Cb 1.05 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.62 2k20 h MET 91 CO 0.08 0.22 -0.25 0.43 -0.00 0.00 0.00 176.91 177.39 2k20 n SER 92 N -2.97 2.22 0.00 -0.10 7.64 -0.36 -3.32 113.62 116.73 2k20 n SER 92 Ca -0.01 -3.63 0.00 0.00 1.01 0.00 0.00 58.87 56.23 2k20 n SER 92 Cb 0.68 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2k20 n SER 92 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2k20 n THR 93 N -1.14 0.00 -0.03 0.44 5.66 -0.17 -4.91 114.28 114.13 2k20 n THR 93 Ca 0.22 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.17 2k20 n THR 93 Cb 0.79 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.55 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 -0.66 0.12 0.09 1.09 1.02 -0.99 -4.34 120.64 116.96 2k20 n GLU 94 Ca 0.00 0.04 -0.05 0.00 -0.02 0.00 0.00 57.16 57.13 2k20 n GLU 94 Cb 0.00 -0.86 0.12 0.00 -0.02 0.00 0.00 31.44 30.67 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 0.04 0.24 1.77 0.62 0.00 0.78 -3.04 103.07 103.49 2k20 h GLY 95 Ca -0.13 -0.31 -0.16 0.00 0.00 0.00 0.00 47.33 46.72 2k20 h GLY 95 CO -0.06 0.28 -0.69 -0.57 0.00 0.00 0.00 176.54 175.49 2k20 h ASN 96 N 0.16 0.27 -0.99 0.19 -0.00 -1.74 0.43 115.58 113.90 2k20 h ASN 96 Ca -0.01 -0.18 0.37 0.00 -0.00 0.00 0.00 56.30 56.48 2k20 h ASN 96 Cb 1.13 -0.08 -0.17 0.00 -0.00 0.00 0.00 38.32 39.20 2k20 h ASN 96 CO 0.10 0.88 0.43 0.11 -0.00 0.00 0.00 177.43 178.95 2k20 h LYS 97 N 0.16 0.06 0.00 6.67 1.57 -1.72 0.85 116.57 124.15 2k20 h LYS 97 Ca -0.02 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.51 2k20 h LYS 97 Cb 1.24 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 2k20 h LYS 97 CO 0.11 0.04 -1.85 0.54 -0.57 0.00 0.00 179.45 177.72 2k20 n ARG 98 N -5.27 0.65 0.00 3.15 3.00 -1.22 -4.97 116.66 112.00 2k20 n ARG 98 Ca 0.33 0.13 0.00 0.00 -0.01 0.00 0.00 57.85 58.30 2k20 n ARG 98 Cb 1.11 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 31.88 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 1.53 0.94 3.40 -0.13 0.00 0.29 -5.03 105.19 106.19 2k20 n GLY 99 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.21 0.60 0.01 1.61 0.23 0.15 0.43 119.30 122.12 2k20 s MET 100 Ca 0.00 0.65 0.05 0.00 -1.03 0.00 0.00 55.69 55.36 2k20 s MET 100 Cb 0.00 0.29 -0.03 0.00 -1.53 0.00 0.00 34.83 33.56 2k20 s MET 100 CO 0.00 -0.08 -0.12 -1.50 -2.03 0.00 0.00 175.02 171.29 2k20 s ILE 101 N 0.17 3.25 0.22 3.16 2.07 0.85 -4.36 121.20 126.56 2k20 s ILE 101 Ca -0.01 -0.93 -0.24 0.00 -1.41 0.00 0.00 60.65 58.06 2k20 s ILE 101 Cb -0.03 -2.39 -0.09 0.00 0.13 0.00 0.00 42.46 40.09 2k20 s ILE 101 CO 0.01 0.39 0.80 -1.58 -1.91 0.00 0.00 174.94 172.66 2k20 s GLN 102 N -1.36 4.49 -0.03 3.50 0.74 -1.26 -0.10 119.66 125.64 2k20 s GLN 102 Ca 0.16 1.12 0.03 0.00 0.05 0.00 0.00 55.36 56.72 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 0.06 0.45 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.64 2k20 s LEU 103 N -1.59 1.82 -0.19 3.68 2.01 0.14 0.03 118.68 124.58 2k20 s LEU 103 Ca 0.41 -0.21 -0.00 0.00 0.01 0.00 0.00 54.13 54.34 2k20 s LEU 103 Cb -0.20 -0.61 0.05 0.00 0.01 0.00 0.00 46.19 45.43 2k20 s LEU 103 CO 0.24 0.08 -0.04 -0.63 1.01 0.00 0.00 176.35 177.02 2k20 s ILE 104 N 0.13 1.18 0.38 -0.59 1.01 -0.68 0.01 121.20 122.65 2k20 s ILE 104 Ca -0.03 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.84 2k20 s ILE 104 Cb -0.09 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 2k20 s ILE 104 CO 0.01 0.01 0.07 0.68 0.00 0.00 0.00 174.94 175.71 2k20 s VAL 105 N 1.58 1.05 -0.12 2.92 -7.23 -0.25 0.15 120.40 118.50 2k20 s VAL 105 Ca -0.02 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.10 2k20 s VAL 105 Cb -0.17 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.23 2k20 s VAL 105 CO -0.07 0.00 0.28 0.00 -0.31 0.00 0.00 175.10 174.99 2k20 s ALA 106 N -3.18 -0.64 0.37 1.32 0.00 0.19 0.36 121.76 120.18 2k20 s ALA 106 Ca 0.29 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.37 2k20 s ALA 106 Cb 0.06 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2k20 s ALA 106 CO 0.14 -0.30 0.14 2.89 0.00 0.00 0.00 175.76 178.64 2k20 n ARG 107 N 4.45 0.59 -3.91 0.00 -4.01 -0.86 -1.71 116.66 111.22 2k20 n ARG 107 Ca -0.21 -3.18 -0.30 0.00 -1.04 0.00 0.00 57.85 53.11 2k20 n ARG 107 Cb 0.53 1.78 -0.04 0.00 -3.04 0.00 0.00 32.46 31.69 2k20 n ARG 107 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 2k20 s ARG 108 N -3.43 3.45 0.17 2.89 0.52 -1.26 -1.64 118.95 119.66 2k20 s ARG 108 Ca 0.20 -0.43 0.09 0.00 -0.52 0.00 0.00 55.73 55.06 2k20 s ARG 108 Cb 0.01 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 2k20 s ARG 108 CO 0.14 0.59 1.38 0.82 0.02 0.00 0.00 175.30 178.25 2k20 h ILE 109 N 2.03 1.58 0.00 1.52 2.04 -1.95 -3.48 117.51 119.25 2k20 h ILE 109 Ca -0.45 -3.01 0.00 0.00 1.00 0.00 0.00 64.86 62.39 2k20 h ILE 109 Cb 1.16 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 2k20 h ILE 109 CO 0.75 0.85 0.00 -0.24 0.00 0.00 0.00 178.15 179.51