#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 -7.99 -3.70 2.61 -2.24 -1.26 -4.85 114.28 96.85 2k20 n THR 8 Ca 0.00 1.48 -0.12 0.00 -2.27 0.00 0.00 64.05 63.14 2k20 n THR 8 Cb 0.00 -5.11 -0.10 0.00 -2.10 0.00 0.00 70.33 63.03 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 -0.88 0.53 0.01 -0.78 0.52 -1.26 -3.53 118.95 113.55 2k20 s ARG 9 Ca -0.09 0.75 -0.24 0.00 -0.52 0.00 0.00 55.73 55.63 2k20 s ARG 9 Cb 0.01 0.18 0.06 0.00 0.52 0.00 0.00 34.95 35.71 2k20 s ARG 9 CO 0.47 -0.10 0.55 -1.83 0.02 0.00 0.00 175.30 174.41 2k20 s GLU 10 N 0.70 1.00 0.05 3.54 -1.05 -0.75 -4.90 118.70 117.28 2k20 s GLU 10 Ca -0.04 -0.06 -0.10 0.00 -0.15 0.00 0.00 54.97 54.63 2k20 s GLU 10 Cb -0.05 0.46 -0.05 0.00 -0.44 0.00 0.00 34.13 34.05 2k20 s GLU 10 CO -0.05 -0.34 0.37 -0.06 0.95 0.00 0.00 175.26 176.13 2k20 s PHE 11 N -1.89 3.61 -0.05 4.83 0.08 -1.26 -1.97 117.98 121.33 2k20 s PHE 11 Ca -0.08 0.77 0.01 0.00 0.12 0.00 0.00 56.93 57.74 2k20 s PHE 11 Cb -0.01 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2k20 s PHE 11 CO 0.03 0.56 -0.04 -0.51 -0.10 0.00 0.00 175.22 175.17 2k20 s LEU 12 N -1.72 1.21 -0.13 -0.37 1.43 0.13 -4.96 118.68 114.27 2k20 s LEU 12 Ca 0.30 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 2k20 s LEU 12 Cb -0.14 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.57 2k20 s LEU 12 CO 0.16 -0.08 0.24 -0.89 0.23 0.00 0.00 176.35 176.01 2k20 s THR 13 N 1.11 5.34 0.01 5.49 2.01 -1.26 -0.61 115.64 127.73 2k20 s THR 13 Ca -0.08 0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 2k20 s THR 13 Cb -0.14 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2k20 s THR 13 CO -0.01 0.48 0.00 -0.36 -0.69 0.00 0.00 174.62 174.04 2k20 s PHE 14 N -0.15 0.18 -0.30 4.92 0.08 0.29 -4.93 117.98 118.06 2k20 s PHE 14 Ca 0.15 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 2k20 s PHE 14 Cb -0.13 -0.14 0.04 0.00 -0.57 0.00 0.00 43.02 42.22 2k20 s PHE 14 CO 0.04 -0.17 0.03 -1.21 -0.10 0.00 0.00 175.22 173.81 2k20 s GLU 15 N -1.19 2.64 -0.37 0.44 8.01 -1.26 0.21 118.70 127.19 2k20 s GLU 15 Ca -0.13 -1.14 -0.12 0.00 0.01 0.00 0.00 54.97 53.60 2k20 s GLU 15 Cb -0.08 -3.26 0.02 0.00 -4.31 0.00 0.00 34.13 26.50 2k20 s GLU 15 CO -0.00 -0.57 0.22 0.08 0.01 0.00 0.00 175.26 174.99 2k20 s VAL 16 N 1.34 4.74 -0.05 2.63 1.01 0.62 -4.88 120.40 125.81 2k20 s VAL 16 Ca -0.02 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2k20 s VAL 16 Cb -0.19 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2k20 s VAL 16 CO 0.00 -0.19 0.95 -2.16 0.00 0.00 0.00 175.10 173.69 2k20 s PRO 17 N 1.59 4.49 -0.14 2.72 0.04 -1.26 -0.75 135.00 141.69 2k20 s PRO 17 Ca 0.03 1.32 0.16 0.00 0.04 0.00 0.00 61.00 62.55 2k20 s PRO 17 Cb -0.19 -3.49 0.41 0.00 0.04 0.00 0.00 34.50 31.27 2k20 s PRO 17 CO 0.07 -0.14 1.20 1.47 0.04 0.00 0.00 177.00 179.65 2k20 n LEU 18 N 4.31 2.14 -0.55 -3.56 -0.00 -0.28 -4.53 117.00 114.54 2k20 n LEU 18 Ca 0.06 -3.26 0.43 0.00 -0.00 0.00 0.00 56.01 53.23 2k20 n LEU 18 Cb 0.50 -0.36 0.67 0.00 -0.00 0.00 0.00 43.42 44.24 2k20 n LEU 18 CO 0.51 1.09 1.22 -0.46 -0.00 0.00 0.00 177.39 179.75 2k20 n ASN 19 N -0.64 0.07 -0.04 1.45 6.94 -1.23 0.12 115.26 121.93 2k20 n ASN 19 Ca 0.15 1.01 -0.05 0.00 -0.02 0.00 0.00 54.58 55.66 2k20 n ASN 19 Cb 0.82 -0.50 -0.06 0.00 -2.36 0.00 0.00 39.78 37.69 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 -3.98 3.14 0.06 0.53 8.00 -1.26 -4.50 116.55 118.53 2k20 n ASP 20 Ca 0.38 -0.02 0.08 0.00 0.71 0.00 0.00 54.79 55.93 2k20 n ASP 20 Cb 1.63 0.34 0.34 0.00 -0.02 0.00 0.00 41.12 43.41 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 -2.49 0.26 -0.32 -2.24 2.88 0.73 -3.22 113.62 109.22 2k20 n SER 21 Ca -0.15 0.58 0.36 0.00 -1.33 0.00 0.00 58.87 58.33 2k20 n SER 21 Cb 0.73 -0.63 0.72 0.00 -0.75 0.00 0.00 64.21 64.27 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 1.69 0.00 1.37 0.46 0.00 0.66 1.13 103.07 108.38 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 -1.43 0.23 0.00 0.00 0.00 176.54 175.34 2k20 h SER 23 N 0.00 0.53 1.46 0.19 0.87 -1.83 -3.30 113.55 111.47 2k20 h SER 23 Ca 0.58 -0.63 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 2k20 h SER 23 Cb 2.52 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 64.29 2k20 h SER 23 CO -0.01 1.50 -0.56 0.00 -0.53 0.00 0.00 176.83 177.24 2k20 h ALA 24 N 0.42 0.70 0.00 6.23 0.00 0.26 -3.48 119.26 123.38 2k20 h ALA 24 Ca -0.21 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2k20 h ALA 24 Cb 2.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2k20 h ALA 24 CO 0.21 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.45 2k20 n GLY 25 N 1.23 3.32 0.00 0.00 0.00 0.32 -4.60 105.19 105.45 2k20 n GLY 25 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -4.60 117.00 120.10 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 0.90 3.54 -3.96 0.00 -1.26 0.17 105.19 104.58 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 0.54 0.00 0.00 0.00 173.32 173.86 2k20 s VAL 28 N -1.58 0.00 -0.19 1.61 0.11 -1.26 0.76 120.40 119.85 2k20 s VAL 28 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2k20 s VAL 28 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2k20 s VAL 28 CO 0.00 0.00 -0.06 -0.94 -3.33 0.00 0.00 175.10 170.77 2k20 s SER 29 N -1.35 4.33 -0.04 3.54 1.04 0.17 -4.86 113.70 116.53 2k20 s SER 29 Ca -0.05 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2k20 s SER 29 Cb -0.00 -1.72 -0.03 0.00 0.10 0.00 0.00 66.02 64.36 2k20 s SER 29 CO 0.03 0.04 -0.11 0.68 0.98 0.00 0.00 173.24 174.87 2k20 s VAL 30 N 1.11 3.37 -0.02 5.02 -7.23 -1.26 0.16 120.40 121.55 2k20 s VAL 30 Ca 0.01 -0.70 -0.00 0.00 -1.81 0.00 0.00 61.98 59.49 2k20 s VAL 30 Cb -0.15 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.44 2k20 s VAL 30 CO -0.01 0.53 0.03 -1.59 -0.31 0.00 0.00 175.10 173.75 2k20 s LYS 31 N -0.97 -0.04 0.01 4.82 0.00 -0.93 -4.87 119.74 117.77 2k20 s LYS 31 Ca 0.13 0.19 -0.08 0.00 0.00 0.00 0.00 55.97 56.21 2k20 s LYS 31 Cb -0.11 -0.24 -0.05 0.00 0.00 0.00 0.00 37.83 37.43 2k20 s LYS 31 CO 0.03 -0.17 0.30 0.20 0.00 0.00 0.00 175.35 175.71 2k20 s GLY 32 N 1.05 2.28 0.45 0.59 0.00 -1.26 -1.45 107.32 108.98 2k20 s GLY 32 Ca -0.09 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.13 2k20 s GLY 32 CO -0.03 -0.31 0.62 0.70 0.00 0.00 0.00 173.10 174.07 2k20 n ASN 33 N 1.16 1.01 -3.91 1.64 5.03 -0.81 -4.92 115.26 114.46 2k20 n ASN 33 Ca -0.11 -1.81 -0.10 0.00 0.87 0.00 0.00 54.58 53.43 2k20 n ASN 33 Cb 0.53 -0.38 -0.11 0.00 -1.02 0.00 0.00 39.78 38.80 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 -4.04 0.38 0.28 3.52 0.52 -1.26 -0.82 118.95 117.52 2k20 s ARG 34 Ca 0.42 -0.42 -0.29 0.00 -0.52 0.00 0.00 55.73 54.92 2k20 s ARG 34 Cb -0.03 0.15 -0.10 0.00 0.52 0.00 0.00 34.95 35.49 2k20 s ARG 34 CO 0.28 -0.08 1.36 0.45 0.02 0.00 0.00 175.30 177.33 2k20 s SER 35 N -1.26 6.74 0.40 0.23 0.15 0.29 -4.80 113.70 115.45 2k20 s SER 35 Ca -0.14 2.64 0.15 0.00 0.70 0.00 0.00 55.95 59.30 2k20 s SER 35 Cb -0.08 -2.63 0.83 0.00 -1.71 0.00 0.00 66.02 62.43 2k20 s SER 35 CO 0.00 -0.61 1.86 0.11 1.20 0.00 0.00 173.24 175.81 2k20 h LYS 36 N 4.37 0.00 0.02 5.44 6.56 -2.01 -3.12 116.57 127.83 2k20 h LYS 36 Ca -0.47 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.12 2k20 h LYS 36 Cb 1.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 2k20 h LYS 36 CO 0.72 0.32 -0.01 0.93 -2.06 0.00 0.00 179.45 179.36 2k20 h GLU 37 N 0.00 -0.02 -4.34 3.15 5.08 -1.98 -3.47 114.58 113.00 2k20 h GLU 37 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2k20 h GLU 37 Cb 0.60 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.71 2k20 h GLU 37 CO 0.04 0.48 -0.59 0.54 -1.00 0.00 0.00 179.01 178.48 2k20 s ASN 38 N -5.68 0.26 -0.80 1.42 2.20 -1.18 -5.04 114.94 106.12 2k20 s ASN 38 Ca -0.16 -1.15 -0.15 0.00 -0.94 0.00 0.00 52.86 50.46 2k20 s ASN 38 Cb 0.01 0.32 -0.12 0.00 -2.00 0.00 0.00 41.25 39.47 2k20 s ASN 38 CO 0.66 -0.76 1.97 1.41 -2.94 0.00 0.00 177.10 177.44 2k20 n HIS 39 N -0.11 1.62 -4.11 1.54 8.25 -1.26 -3.39 115.22 117.76 2k20 n HIS 39 Ca -0.06 -1.82 -0.33 0.00 -0.26 0.00 0.00 57.72 55.25 2k20 n HIS 39 Cb 0.64 -1.66 -0.16 0.00 1.12 0.00 0.00 29.99 29.93 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 4.42 2.32 0.39 -1.41 0.00 -1.26 -4.92 121.76 121.30 2k20 s ALA 40 Ca 0.49 -1.25 -0.25 0.00 0.00 0.00 0.00 51.96 50.95 2k20 s ALA 40 Cb 0.12 -1.21 -0.11 0.00 0.00 0.00 0.00 23.12 21.92 2k20 s ALA 40 CO 0.06 -0.43 1.09 -0.40 0.00 0.00 0.00 175.76 176.08 2k20 n ASP 41 N 4.61 1.67 -0.72 0.00 5.75 -1.26 0.11 116.55 126.71 2k20 n ASP 41 Ca -0.20 1.09 0.08 0.00 -0.01 0.00 0.00 54.79 55.74 2k20 n ASP 41 Cb 0.49 -1.38 0.12 0.00 -1.03 0.00 0.00 41.12 39.32 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 0.59 2.67 0.00 -2.12 4.77 -0.00 -4.71 117.00 118.19 2k20 n LEU 42 Ca 0.08 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 2k20 n LEU 42 Cb 0.38 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2k20 n LEU 42 CO 0.58 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 2k20 n GLY 43 N 0.87 2.92 3.74 -0.72 0.00 -1.26 -4.84 105.19 105.90 2k20 n GLY 43 Ca 0.12 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.97 5.38 0.01 -0.61 -0.00 -1.26 -1.93 121.20 119.82 2k20 s ILE 44 Ca 0.00 0.31 0.08 0.00 -0.00 0.00 0.00 60.65 61.04 2k20 s ILE 44 Cb 0.00 -3.52 -0.03 0.00 -0.00 0.00 0.00 42.46 38.91 2k20 s ILE 44 CO 0.00 0.43 -0.24 -0.36 -0.00 0.00 0.00 174.94 174.77 2k20 s PHE 45 N 0.32 2.38 -0.37 1.37 0.40 -0.53 -0.01 117.98 121.53 2k20 s PHE 45 Ca 0.11 -0.39 -0.28 0.00 -0.60 0.00 0.00 56.93 55.77 2k20 s PHE 45 Cb -0.12 -1.46 -0.07 0.00 0.51 0.00 0.00 43.02 41.88 2k20 s PHE 45 CO 0.00 0.08 2.32 0.28 0.70 0.00 0.00 175.22 178.60 2k20 n VAL 46 N 2.05 0.14 -0.01 -0.44 0.31 -0.63 -2.19 118.33 117.57 2k20 n VAL 46 Ca -0.16 -0.54 -0.17 0.00 -0.01 0.00 0.00 64.34 63.45 2k20 n VAL 46 Cb 0.52 -2.44 -0.08 0.00 -0.91 0.00 0.00 33.84 30.92 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 16.31 0.68 -1.01 5.55 1.63 0.13 0.78 116.57 140.63 2k20 h LYS 47 Ca -0.31 -0.58 0.17 0.00 -0.85 0.00 0.00 60.65 59.08 2k20 h LYS 47 Cb 1.27 0.13 -0.26 0.00 -0.60 0.00 0.00 32.23 32.77 2k20 h LYS 47 CO 1.06 1.19 0.36 -1.12 -3.45 0.00 0.00 179.45 177.49 2k20 s SER 48 N -6.97 -0.44 -0.44 4.20 0.01 -0.90 -4.81 113.70 104.35 2k20 s SER 48 Ca -0.11 0.63 -0.25 0.00 1.31 0.00 0.00 55.95 57.53 2k20 s SER 48 Cb 0.07 1.41 0.02 0.00 0.21 0.00 0.00 66.02 67.73 2k20 s SER 48 CO 0.88 -0.09 0.89 -0.63 0.41 0.00 0.00 173.24 174.70 2k20 s ILE 49 N 1.99 4.53 -0.62 1.44 1.01 -1.26 0.43 121.20 128.73 2k20 s ILE 49 Ca -0.04 0.77 -0.32 0.00 0.00 0.00 0.00 60.65 61.05 2k20 s ILE 49 Cb -0.04 -4.39 -0.14 0.00 0.01 0.00 0.00 42.46 37.90 2k20 s ILE 49 CO -0.16 -0.75 2.42 -0.38 0.00 0.00 0.00 174.94 176.07 2k20 n ILE 50 N 6.27 0.04 -1.20 2.92 -0.00 0.23 -4.74 119.36 122.88 2k20 n ILE 50 Ca 0.05 -0.29 -0.30 0.00 -0.00 0.00 0.00 62.75 62.21 2k20 n ILE 50 Cb 0.48 -1.47 -0.11 0.00 -0.00 0.00 0.00 39.64 38.54 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 11.49 1.53 0.00 4.38 6.94 -1.26 -0.99 115.26 137.35 2k20 n ASN 51 Ca 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 2k20 n ASN 51 Cb 0.22 -1.23 0.00 0.00 -2.36 0.00 0.00 39.78 36.42 2k20 n ASN 51 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k20 n GLY 52 N 5.53 0.43 0.00 4.83 0.00 -1.26 -5.07 105.19 109.64 2k20 n GLY 52 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.15 0.17 -0.02 0.00 -0.16 -4.69 105.19 98.34 2k20 n GLY 53 Ca 0.00 -1.42 -0.18 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 0.19 -0.70 4.61 0.00 0.15 -1.84 119.26 119.68 2k20 h ALA 54 Ca 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 2k20 h ALA 54 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2k20 h ALA 54 CO 0.00 0.75 0.30 0.00 0.00 0.00 0.00 179.25 180.30 2k20 h ALA 55 N 0.52 1.21 0.07 0.00 0.00 0.14 0.49 119.26 121.70 2k20 h ALA 55 Ca -0.12 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.37 2k20 h ALA 55 Cb 1.70 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2k20 h ALA 55 CO 0.19 0.59 -1.11 1.03 0.00 0.00 0.00 179.25 179.95 2k20 h SER 56 N 1.00 0.49 0.37 0.00 0.87 -1.71 -3.21 113.55 111.36 2k20 h SER 56 Ca 0.24 -0.46 -0.11 0.00 -1.23 0.00 0.00 61.79 60.23 2k20 h SER 56 Cb 0.16 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2k20 h SER 56 CO -0.02 1.30 -0.47 0.11 -0.53 0.00 0.00 176.83 177.22 2k20 h LYS 57 N 0.15 0.13 0.00 2.24 1.57 -0.90 -2.65 116.57 117.11 2k20 h LYS 57 Ca -0.11 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 2k20 h LYS 57 Cb 1.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.10 2k20 h LYS 57 CO 0.19 0.57 -0.12 0.22 -0.57 0.00 0.00 179.45 179.74 2k20 h ASP 58 N 0.10 0.00 -2.86 0.86 3.58 -0.02 -3.46 116.42 114.62 2k20 h ASP 58 Ca 0.00 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.05 2k20 h ASP 58 Cb 0.87 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 2k20 h ASP 58 CO 0.07 0.12 -0.51 0.61 -2.88 0.00 0.00 179.24 176.65 2k20 n GLY 59 N -0.76 -0.25 0.00 -0.78 0.00 -1.00 -4.80 105.19 97.60 2k20 n GLY 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.94 2.18 -2.22 1.61 1.74 -1.26 -5.07 116.66 110.72 2k20 n ARG 60 Ca -0.24 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.48 2k20 n ARG 60 Cb 0.68 -0.86 -0.00 0.00 -1.02 0.00 0.00 32.46 31.26 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 -3.44 3.93 -0.07 0.55 1.02 -1.25 -5.05 118.68 114.38 2k20 s LEU 61 Ca 0.00 2.31 -0.03 0.00 0.02 0.00 0.00 54.13 56.44 2k20 s LEU 61 Cb 0.00 -4.33 0.04 0.00 0.02 0.00 0.00 46.19 41.93 2k20 s LEU 61 CO 0.00 -1.05 0.14 -0.13 0.02 0.00 0.00 176.35 175.33 2k20 s ARG 62 N -2.85 0.04 0.39 1.70 0.52 -1.26 -4.97 118.95 112.51 2k20 s ARG 62 Ca 0.66 0.47 -0.25 0.00 -0.52 0.00 0.00 55.73 56.09 2k20 s ARG 62 Cb -0.28 -0.26 -0.11 0.00 0.52 0.00 0.00 34.95 34.81 2k20 s ARG 62 CO 0.34 -0.26 1.05 0.28 0.02 0.00 0.00 175.30 176.73 2k20 n VAL 63 N 4.91 2.33 -0.74 3.52 0.31 -1.26 -2.55 118.33 124.84 2k20 n VAL 63 Ca -0.13 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 2k20 n VAL 63 Cb 0.50 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 0.64 -2.22 -4.57 4.52 3.02 0.27 -4.91 115.26 112.01 2k20 n ASN 64 Ca 0.09 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.25 2k20 n ASN 64 Cb 0.38 -0.37 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.64 6.07 -0.02 6.41 1.11 -1.06 -4.72 116.67 121.82 2k20 s ASP 65 Ca 0.00 -0.10 -0.30 0.00 0.18 0.00 0.00 52.55 52.33 2k20 s ASP 65 Cb 0.00 -2.14 -0.04 0.00 1.07 0.00 0.00 42.92 41.81 2k20 s ASP 65 CO 0.00 -0.14 1.23 -1.58 1.18 0.00 0.00 175.17 175.86 2k20 s GLN 66 N 1.81 4.36 0.30 8.23 -0.44 -0.68 -1.60 119.66 131.64 2k20 s GLN 66 Ca 0.08 1.74 -0.28 0.00 -2.50 0.00 0.00 55.36 54.40 2k20 s GLN 66 Cb -0.16 -3.52 -0.09 0.00 -1.64 0.00 0.00 33.01 27.59 2k20 s GLN 66 CO 0.11 -0.43 1.04 -0.51 0.50 0.00 0.00 175.29 176.00 2k20 s LEU 67 N 2.02 4.46 0.00 3.68 1.43 0.98 -0.27 118.68 130.98 2k20 s LEU 67 Ca 0.58 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 2k20 s LEU 67 Cb -0.27 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.17 2k20 s LEU 67 CO 0.24 -0.16 0.00 -0.38 0.23 0.00 0.00 176.35 176.28 2k20 n ILE 68 N 0.90 0.00 -3.73 -0.59 5.41 0.31 -4.59 119.36 117.07 2k20 n ILE 68 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.64 2k20 n ILE 68 Cb 0.47 -0.42 -0.07 0.00 -0.71 0.00 0.00 39.64 38.91 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 -1.81 -0.78 -0.06 -1.39 0.00 -0.78 -1.92 121.76 115.03 2k20 s ALA 69 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 2k20 s ALA 69 Cb 0.00 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.50 2k20 s ALA 69 CO 0.00 -0.43 0.12 0.54 0.00 0.00 0.00 175.76 175.99 2k20 s VAL 70 N -2.56 -0.12 -0.49 0.00 0.11 -0.77 -0.24 120.40 116.33 2k20 s VAL 70 Ca -0.05 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 2k20 s VAL 70 Cb -0.01 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 2k20 s VAL 70 CO -0.03 0.11 0.00 0.59 -3.33 0.00 0.00 175.10 172.44 2k20 n ASN 71 N 4.70 -5.17 0.00 3.54 3.02 0.30 -1.92 115.26 119.72 2k20 n ASN 71 Ca -0.17 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2k20 n ASN 71 Cb 0.51 -3.08 0.00 0.00 -0.61 0.00 0.00 39.78 36.60 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 -0.27 1.01 2.89 7.41 0.00 -1.26 -4.81 105.19 110.16 2k20 n GLY 72 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2k20 n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k20 s GLU 73 N -0.67 1.43 1.12 1.61 -1.05 -0.81 -5.13 118.70 115.21 2k20 s GLU 73 Ca 0.00 -0.72 -0.13 0.00 -0.15 0.00 0.00 54.97 53.97 2k20 s GLU 73 Cb 0.00 -2.30 0.25 0.00 -0.44 0.00 0.00 34.13 31.65 2k20 s GLU 73 CO 0.00 -0.53 1.05 -1.54 0.95 0.00 0.00 175.26 175.19 2k20 s SER 74 N 1.55 1.49 0.00 0.83 1.04 -1.26 -1.84 113.70 115.50 2k20 s SER 74 Ca -0.02 1.29 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2k20 s SER 74 Cb -0.17 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2k20 s SER 74 CO -0.07 -3.85 0.74 0.00 0.98 0.00 0.00 173.24 171.03 2k20 n LEU 75 N -4.66 0.00 0.29 2.42 -0.00 -0.81 -4.86 117.00 109.38 2k20 n LEU 75 Ca 0.04 -0.69 0.17 0.00 -0.00 0.00 0.00 56.01 55.53 2k20 n LEU 75 Cb 0.56 0.00 0.84 0.00 -0.00 0.00 0.00 43.42 44.82 2k20 n LEU 75 CO 0.57 0.29 1.03 0.25 -0.00 0.00 0.00 177.39 179.53 2k20 h LEU 76 N 0.00 0.00 -1.97 1.47 5.85 -1.93 -2.14 115.31 116.59 2k20 h LEU 76 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k20 h LEU 76 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2k20 h LEU 76 CO 0.00 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 2k20 n GLY 77 N -0.44 1.62 3.14 3.75 0.00 -1.26 -4.90 105.19 107.10 2k20 n GLY 77 Ca -0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.70 0.86 0.87 1.61 -2.85 -0.80 -5.15 119.74 112.58 2k20 s LYS 78 Ca 0.29 -1.39 -0.11 0.00 -1.00 0.00 0.00 55.97 53.76 2k20 s LYS 78 Cb 0.19 0.17 0.12 0.00 -2.06 0.00 0.00 37.83 36.24 2k20 s LYS 78 CO 0.14 -0.20 1.10 0.00 0.10 0.00 0.00 175.35 176.49 2k20 s ALA 79 N -3.96 1.65 0.12 0.59 0.00 -1.26 -4.68 121.76 114.21 2k20 s ALA 79 Ca 0.19 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 52.11 2k20 s ALA 79 Cb 0.07 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 2k20 s ALA 79 CO -0.01 -2.33 1.67 -2.95 0.00 0.00 0.00 175.76 172.14 2k20 h ASN 80 N -1.54 -0.49 -0.66 0.00 7.08 -1.91 0.83 115.58 118.89 2k20 h ASN 80 Ca -0.47 0.07 0.02 0.00 -3.08 0.00 0.00 56.30 52.85 2k20 h ASN 80 Cb 1.26 0.20 -0.04 0.00 -2.08 0.00 0.00 38.32 37.67 2k20 h ASN 80 CO 0.50 -0.23 0.44 0.06 -2.08 0.00 0.00 177.43 176.12 2k20 h GLN 81 N -0.27 0.81 -0.29 4.14 -0.00 -1.95 0.57 115.11 118.11 2k20 h GLN 81 Ca 0.05 -0.05 -0.17 0.00 -0.00 0.00 0.00 58.65 58.49 2k20 h GLN 81 Cb 0.34 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.48 27.64 2k20 h GLN 81 CO -0.16 0.53 -0.48 0.93 -0.00 0.00 0.00 178.83 179.65 2k20 h GLU 82 N 0.83 0.79 -0.21 0.06 4.39 -1.67 -1.32 114.58 117.45 2k20 h GLU 82 Ca 0.26 -0.46 -0.12 0.00 0.34 0.00 0.00 59.36 59.37 2k20 h GLU 82 Cb 0.00 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2k20 h GLU 82 CO -0.07 1.09 -0.39 0.00 -1.16 0.00 0.00 179.01 178.49 2k20 h ALA 83 N 0.82 0.93 0.00 3.43 0.00 0.20 0.10 119.26 124.75 2k20 h ALA 83 Ca 0.03 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 2k20 h ALA 83 Cb 1.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2k20 h ALA 83 CO 0.10 0.63 -0.47 0.52 0.00 0.00 0.00 179.25 180.03 2k20 h MET 84 N 0.40 0.00 0.13 0.00 2.86 0.29 -1.35 114.93 117.26 2k20 h MET 84 Ca 0.04 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.38 2k20 h MET 84 Cb 0.86 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.55 2k20 h MET 84 CO 0.07 0.47 -1.26 1.49 1.06 0.00 0.00 176.91 178.74 2k20 h GLU 85 N 0.00 0.60 -0.67 1.72 4.57 -0.82 -0.77 114.58 119.21 2k20 h GLU 85 Ca -0.00 -0.82 -0.02 0.00 -1.18 0.00 0.00 59.36 57.34 2k20 h GLU 85 Cb 0.86 0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 2k20 h GLU 85 CO 0.06 1.37 0.33 1.15 -1.18 0.00 0.00 179.01 180.75 2k20 h THR 86 N 0.26 1.21 0.05 0.32 2.02 -0.57 0.13 112.91 116.33 2k20 h THR 86 Ca -0.19 -0.58 -0.23 0.00 0.77 0.00 0.00 66.41 66.18 2k20 h THR 86 Cb 1.93 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2k20 h THR 86 CO 0.24 0.25 -1.05 0.17 0.37 0.00 0.00 175.52 175.50 2k20 h LEU 87 N 0.94 0.31 0.19 2.58 8.10 -1.27 -1.35 115.31 124.81 2k20 h LEU 87 Ca 0.23 -0.30 -0.01 0.00 0.11 0.00 0.00 57.88 57.92 2k20 h LEU 87 Cb 0.08 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.20 2k20 h LEU 87 CO -0.03 1.17 -0.10 -0.09 -4.11 0.00 0.00 178.44 175.28 2k20 h ARG 88 N 0.09 -0.26 -0.10 0.17 2.43 -0.25 0.99 114.38 117.45 2k20 h ARG 88 Ca -0.08 0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.93 2k20 h ARG 88 Cb 1.74 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.34 2k20 h ARG 88 CO 0.16 -0.17 -0.68 -0.09 -1.51 0.00 0.00 179.97 177.68 2k20 h ARG 89 N -0.27 0.45 0.00 0.20 1.12 -0.86 0.00 114.38 115.02 2k20 h ARG 89 Ca -0.02 -0.34 -0.13 0.00 -1.11 0.00 0.00 59.98 58.37 2k20 h ARG 89 Cb 0.21 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.22 2k20 h ARG 89 CO 0.03 0.97 -0.64 1.03 -3.11 0.00 0.00 179.97 178.25 2k20 h SER 90 N 0.31 0.00 0.97 -3.80 0.87 -1.06 -0.49 113.55 110.36 2k20 h SER 90 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2k20 h SER 90 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2k20 h SER 90 CO 0.12 0.64 -0.85 0.00 -0.53 0.00 0.00 176.83 176.21 2k20 h MET 91 N 0.00 0.00 0.00 2.24 -0.00 0.11 1.01 114.93 118.29 2k20 h MET 91 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.66 2k20 h MET 91 Cb 1.14 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.68 2k20 h MET 91 CO 0.08 0.00 -0.57 0.45 -0.00 0.00 0.00 176.91 176.87 2k20 n SER 92 N -2.49 1.60 0.00 -0.10 2.88 -0.02 -3.96 113.62 111.53 2k20 n SER 92 Ca 0.01 -3.58 0.00 0.00 -1.33 0.00 0.00 58.87 53.97 2k20 n SER 92 Cb 0.51 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 -0.86 0.00 -0.02 2.46 5.66 -0.20 -4.91 114.28 116.40 2k20 n THR 93 Ca 0.17 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.13 2k20 n THR 93 Cb 0.76 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.52 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 -0.47 0.10 0.15 1.09 1.02 -1.15 -4.33 120.64 117.06 2k20 n GLU 94 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2k20 n GLU 94 Cb 0.00 -0.88 0.25 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.09 0.02 1.60 0.62 0.00 0.82 -2.95 103.07 103.27 2k20 h GLY 95 Ca -0.10 -0.02 -0.23 0.00 0.00 0.00 0.00 47.33 46.98 2k20 h GLY 95 CO -0.04 0.02 -0.98 -0.57 0.00 0.00 0.00 176.54 174.97 2k20 h ASN 96 N 0.02 0.47 -1.00 0.19 -0.00 -1.76 0.39 115.58 113.89 2k20 h ASN 96 Ca -0.00 -0.39 0.36 0.00 -0.00 0.00 0.00 56.30 56.27 2k20 h ASN 96 Cb 0.89 -0.14 -0.16 0.00 -0.00 0.00 0.00 38.32 38.90 2k20 h ASN 96 CO 0.07 1.21 0.55 0.11 -0.00 0.00 0.00 177.43 179.36 2k20 h LYS 97 N 0.18 0.17 0.00 6.67 1.57 -1.71 0.55 116.57 124.00 2k20 h LYS 97 Ca -0.08 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.50 2k20 h LYS 97 Cb 1.63 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.87 2k20 h LYS 97 CO 0.16 0.11 -1.81 2.89 -0.57 0.00 0.00 179.45 180.24 2k20 n ARG 98 N -5.15 0.65 0.00 3.15 0.00 -1.23 -4.98 116.66 109.09 2k20 n ARG 98 Ca 0.34 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 2k20 n ARG 98 Cb 1.12 -1.66 0.00 0.00 -0.00 0.00 0.00 32.46 31.91 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 1.46 1.06 3.59 2.89 0.00 0.19 -5.06 105.19 109.31 2k20 n GLY 99 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.12 0.89 0.02 1.61 0.00 0.14 -1.13 119.30 120.70 2k20 s MET 100 Ca 0.00 0.67 0.04 0.00 0.00 0.00 0.00 55.69 56.40 2k20 s MET 100 Cb 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 34.83 35.22 2k20 s MET 100 CO 0.00 -0.19 -0.08 -1.50 0.00 0.00 0.00 175.02 173.25 2k20 s ILE 101 N -0.26 3.51 0.46 3.16 2.07 0.07 -4.47 121.20 125.73 2k20 s ILE 101 Ca -0.04 -0.89 -0.20 0.00 -1.41 0.00 0.00 60.65 58.11 2k20 s ILE 101 Cb -0.03 -2.53 -0.10 0.00 0.13 0.00 0.00 42.46 39.93 2k20 s ILE 101 CO 0.04 0.35 0.99 -1.58 -1.91 0.00 0.00 174.94 172.82 2k20 s GLN 102 N -1.53 4.03 -0.18 3.50 0.74 -1.26 -0.28 119.66 124.68 2k20 s GLN 102 Ca 0.17 1.20 -0.04 0.00 0.05 0.00 0.00 55.36 56.74 2k20 s GLN 102 Cb -0.11 -2.14 0.09 0.00 1.10 0.00 0.00 33.01 31.95 2k20 s GLN 102 CO 0.08 -0.21 0.26 -0.51 -0.55 0.00 0.00 175.29 174.36 2k20 s LEU 103 N -3.38 -0.25 -0.32 3.68 1.43 0.57 -0.54 118.68 119.86 2k20 s LEU 103 Ca 0.64 0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.79 2k20 s LEU 103 Cb -0.12 0.60 0.02 0.00 0.03 0.00 0.00 46.19 46.72 2k20 s LEU 103 CO 0.17 -0.29 0.12 -0.63 0.23 0.00 0.00 176.35 175.95 2k20 s ILE 104 N 2.39 4.13 0.47 -0.59 1.01 0.67 0.10 121.20 129.38 2k20 s ILE 104 Ca 0.06 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.93 2k20 s ILE 104 Cb -0.14 -3.21 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 2k20 s ILE 104 CO -0.11 -0.04 0.04 1.33 0.00 0.00 0.00 174.94 176.16 2k20 n VAL 105 N 4.89 0.00 -3.73 2.92 0.24 0.22 0.11 118.33 122.98 2k20 n VAL 105 Ca -0.13 -2.36 -0.12 0.00 -2.04 0.00 0.00 64.34 59.68 2k20 n VAL 105 Cb 0.47 0.59 -0.12 0.00 -1.47 0.00 0.00 33.84 33.31 2k20 n VAL 105 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k20 s ALA 106 N -2.93 -0.68 0.32 2.33 0.00 0.63 0.22 121.76 121.65 2k20 s ALA 106 Ca 0.06 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.04 2k20 s ALA 106 Cb 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2k20 s ALA 106 CO 0.04 -0.19 0.48 2.89 0.00 0.00 0.00 175.76 178.98 2k20 n ARG 107 N 3.93 0.69 -2.77 0.00 -4.01 -0.83 -1.69 116.66 111.98 2k20 n ARG 107 Ca -0.22 -2.47 -0.39 0.00 -1.04 0.00 0.00 57.85 53.73 2k20 n ARG 107 Cb 0.55 2.46 -0.06 0.00 -3.04 0.00 0.00 32.46 32.36 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 -2.63 4.77 0.10 2.89 3.00 -1.26 -1.82 118.95 124.01 2k20 s ARG 108 Ca 0.25 1.43 -0.13 0.00 0.00 0.00 0.00 55.73 57.28 2k20 s ARG 108 Cb -0.01 -3.15 -0.15 0.00 0.00 0.00 0.00 34.95 31.63 2k20 s ARG 108 CO 0.18 0.46 1.31 0.82 0.00 0.00 0.00 175.30 178.07 2k20 h ILE 109 N 3.01 1.28 0.00 1.52 2.04 -1.89 -3.48 117.51 120.00 2k20 h ILE 109 Ca -0.46 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.47 2k20 h ILE 109 Cb 1.20 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2k20 h ILE 109 CO 0.67 0.62 0.00 -0.24 0.00 0.00 0.00 178.15 179.20