#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6u n SER 2 N 0.00 3.90 -4.24 4.04 7.64 -1.26 -5.00 113.62 118.70 1l6u n SER 2 Ca 0.00 1.19 -0.31 0.00 1.01 0.00 0.00 58.87 60.76 1l6u n SER 2 Cb 0.00 -1.62 -0.17 0.00 -1.01 0.00 0.00 64.21 61.42 1l6u n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1l6u s SER 3 N 0.18 2.95 0.17 6.43 0.01 -1.26 -5.13 113.70 117.05 1l6u s SER 3 Ca 0.58 -0.50 0.10 0.00 1.31 0.00 0.00 55.95 57.44 1l6u s SER 3 Cb -0.48 -0.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 1l6u s SER 3 CO 0.57 0.22 -0.18 -1.61 0.41 0.00 0.00 173.24 172.64 1l6u s GLU 4 N -0.04 1.76 0.27 12.44 2.02 -1.26 -5.14 118.70 128.75 1l6u s GLU 4 Ca -0.07 -1.35 0.09 0.00 0.02 0.00 0.00 54.97 53.67 1l6u s GLU 4 Cb -0.14 -2.02 -0.05 0.00 0.10 0.00 0.00 34.13 32.02 1l6u s GLU 4 CO 0.04 0.43 -0.14 -0.51 0.02 0.00 0.00 175.26 175.11 1l6u s ASP 5 N -2.58 3.20 -0.29 -0.19 1.01 -1.26 -5.15 116.67 111.41 1l6u s ASP 5 Ca 0.21 -1.10 -0.20 0.00 0.71 0.00 0.00 52.55 52.18 1l6u s ASP 5 Cb -0.09 -0.24 0.14 0.00 1.01 0.00 0.00 42.92 43.74 1l6u s ASP 5 CO 0.12 -0.14 1.04 -1.59 0.21 0.00 0.00 175.17 174.81 1l6u s LYS 6 N -3.61 0.39 0.54 8.23 0.00 -1.26 -4.66 119.74 119.37 1l6u s LYS 6 Ca 0.29 0.57 0.06 0.00 0.00 0.00 0.00 55.97 56.89 1l6u s LYS 6 Cb -0.01 0.13 0.10 0.00 0.00 0.00 0.00 37.83 38.05 1l6u s LYS 6 CO 0.13 -0.07 0.75 0.44 0.00 0.00 0.00 175.35 176.60 1l6u n ILE 7 N 3.00 0.00 -5.23 3.79 -5.35 0.24 -4.87 119.36 110.93 1l6u n ILE 7 Ca -0.16 -1.59 -0.32 0.00 -0.27 0.00 0.00 62.75 60.42 1l6u n ILE 7 Cb 0.57 -0.69 -0.16 0.00 -1.74 0.00 0.00 39.64 37.62 1l6u n ILE 7 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1l6u s THR 8 N -2.29 2.17 -0.01 7.28 2.01 -1.26 -1.13 115.64 122.41 1l6u s THR 8 Ca 0.54 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1l6u s THR 8 Cb -0.04 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1l6u s THR 8 CO 0.35 0.57 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.04 1l6u s VAL 9 N -0.29 0.98 0.05 3.82 1.01 0.55 0.26 120.40 126.77 1l6u s VAL 9 Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1l6u s VAL 9 Cb -0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1l6u s VAL 9 CO 0.02 0.28 -0.25 -1.00 0.00 0.00 0.00 175.10 174.15 1l6u s HIS 10 N -0.28 2.37 -0.05 5.22 3.76 0.52 0.21 115.29 127.03 1l6u s HIS 10 Ca 0.05 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.60 1l6u s HIS 10 Cb -0.05 -1.40 0.01 0.00 1.11 0.00 0.00 32.58 32.26 1l6u s HIS 10 CO -0.00 0.17 -0.12 -0.06 -0.85 0.00 0.00 174.74 173.87 1l6u s PHE 11 N -0.85 1.34 -0.64 1.40 0.40 -0.13 0.67 117.98 120.17 1l6u s PHE 11 Ca 0.12 -0.44 -0.15 0.00 -0.60 0.00 0.00 56.93 55.87 1l6u s PHE 11 Cb -0.10 -0.97 0.16 0.00 0.51 0.00 0.00 43.02 42.62 1l6u s PHE 11 CO 0.03 -0.22 0.59 0.42 0.70 0.00 0.00 175.22 176.74 1l6u s ILE 12 N 0.49 5.30 0.44 0.64 1.01 0.52 0.24 121.20 129.84 1l6u s ILE 12 Ca -0.10 -1.88 -0.24 0.00 0.00 0.00 0.00 60.65 58.43 1l6u s ILE 12 Cb -0.14 -4.35 -0.10 0.00 0.01 0.00 0.00 42.46 37.89 1l6u s ILE 12 CO 0.03 -0.92 1.09 -3.20 0.00 0.00 0.00 174.94 171.93 1l6u n ASN 13 N 4.76 1.62 0.17 3.58 2.85 0.24 -0.94 115.26 127.53 1l6u n ASN 13 Ca -0.04 1.03 0.17 0.00 -0.11 0.00 0.00 54.58 55.63 1l6u n ASN 13 Cb 0.42 -1.41 0.63 0.00 1.24 0.00 0.00 39.78 40.67 1l6u n ASN 13 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 1l6u h ARG 14 N 1.58 0.00 -0.28 1.20 0.11 -1.86 1.26 114.38 116.38 1l6u h ARG 14 Ca -0.46 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.53 1l6u h ARG 14 Cb 1.33 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.39 1l6u h ARG 14 CO 0.57 0.00 -0.21 0.22 0.10 0.00 0.00 179.97 180.65 1l6u h ASP 15 N 0.00 0.51 0.00 0.08 1.82 -1.89 -3.46 116.42 113.47 1l6u h ASP 15 Ca 0.14 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1l6u h ASP 15 Cb 1.32 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1l6u h ASP 15 CO -0.00 0.72 0.00 0.61 -1.61 0.00 0.00 179.24 178.96 1l6u n GLY 16 N -0.44 1.28 3.81 -0.78 0.00 0.43 -5.12 105.19 104.37 1l6u n GLY 16 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1l6u n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1l6u s GLU 17 N 0.00 4.03 -0.18 1.61 -1.05 -1.23 -4.77 118.70 117.11 1l6u s GLU 17 Ca 0.00 1.23 -0.04 0.00 -0.15 0.00 0.00 54.97 56.01 1l6u s GLU 17 Cb 0.00 -2.14 -0.02 0.00 -0.44 0.00 0.00 34.13 31.53 1l6u s GLU 17 CO 0.00 -0.21 -0.04 0.99 0.95 0.00 0.00 175.26 176.95 1l6u s THR 18 N -2.10 3.69 0.19 1.83 2.01 -1.26 0.81 115.64 120.82 1l6u s THR 18 Ca 0.64 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1l6u s THR 18 Cb -0.12 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1l6u s THR 18 CO 0.16 0.46 0.35 -0.76 -0.69 0.00 0.00 174.62 174.14 1l6u s LEU 19 N 0.82 4.28 -0.19 4.42 2.01 0.65 -4.88 118.68 125.79 1l6u s LEU 19 Ca -0.01 0.27 0.01 0.00 0.01 0.00 0.00 54.13 54.41 1l6u s LEU 19 Cb -0.15 -3.03 0.03 0.00 0.01 0.00 0.00 46.19 43.06 1l6u s LEU 19 CO 0.02 -0.01 -0.13 -0.89 1.01 0.00 0.00 176.35 176.34 1l6u s THR 20 N -1.84 1.74 0.36 5.49 2.01 -1.26 -0.96 115.64 121.18 1l6u s THR 20 Ca 0.36 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1l6u s THR 20 Cb -0.11 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1l6u s THR 20 CO 0.29 0.29 0.11 0.28 -0.69 0.00 0.00 174.62 174.90 1l6u s THR 21 N 1.38 0.74 -0.00 -0.82 -1.32 0.55 -4.98 115.64 111.18 1l6u s THR 21 Ca 0.01 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.50 1l6u s THR 21 Cb -0.15 -2.53 -0.00 0.00 -1.51 0.00 0.00 72.50 68.31 1l6u s THR 21 CO -0.09 0.00 -0.03 -1.59 -2.21 0.00 0.00 174.62 170.70 1l6u s LYS 22 N -3.81 0.25 0.01 7.08 -2.85 -1.26 0.21 119.74 119.37 1l6u s LYS 22 Ca 0.30 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.17 1l6u s LYS 22 Cb 0.05 -0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 35.56 1l6u s LYS 22 CO 0.15 0.06 -0.02 0.20 0.10 0.00 0.00 175.35 175.84 1l6u s GLY 23 N -0.03 0.16 -0.45 0.59 0.00 -0.28 -4.88 107.32 102.43 1l6u s GLY 23 Ca 0.01 -0.35 -0.27 0.00 0.00 0.00 0.00 44.72 44.11 1l6u s GLY 23 CO -0.00 -0.38 1.03 -1.59 0.00 0.00 0.00 173.10 172.15 1l6u s LYS 24 N -0.81 3.68 -0.81 2.90 0.00 -1.26 0.82 119.74 124.26 1l6u s LYS 24 Ca -0.08 0.43 -0.25 0.00 0.00 0.00 0.00 55.97 56.07 1l6u s LYS 24 Cb -0.06 -3.89 -0.18 0.00 0.00 0.00 0.00 37.83 33.70 1l6u s LYS 24 CO -0.00 -1.25 2.19 1.51 0.00 0.00 0.00 175.35 177.80 1l6u n ILE 25 N 6.53 0.00 0.00 3.79 3.06 -1.26 0.18 119.36 131.65 1l6u n ILE 25 Ca 0.09 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.34 1l6u n ILE 25 Cb 0.49 -0.40 0.00 0.00 0.54 0.00 0.00 39.64 40.26 1l6u n ILE 25 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1l6u n GLY 26 N 5.27 0.41 3.80 4.50 0.00 -1.08 -4.91 105.19 113.18 1l6u n GLY 26 Ca 0.54 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.24 1l6u n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1l6u s ASP 27 N -0.39 5.70 0.66 1.61 -1.08 0.13 -4.82 116.67 118.49 1l6u s ASP 27 Ca 0.00 0.10 -0.15 0.00 -0.52 0.00 0.00 52.55 51.98 1l6u s ASP 27 Cb 0.00 -1.61 0.00 0.00 -1.46 0.00 0.00 42.92 39.85 1l6u s ASP 27 CO 0.00 0.22 1.11 -0.44 0.52 0.00 0.00 175.17 176.58 1l6u s SER 28 N -2.09 5.11 0.05 -0.34 0.01 -1.26 -3.18 113.70 111.99 1l6u s SER 28 Ca 0.27 1.98 -0.18 0.00 1.31 0.00 0.00 55.95 59.33 1l6u s SER 28 Cb -0.12 -2.55 -0.15 0.00 0.21 0.00 0.00 66.02 63.41 1l6u s SER 28 CO 0.19 -1.63 1.29 -0.07 0.41 0.00 0.00 173.24 173.43 1l6u h LEU 29 N -0.02 0.57 -0.65 2.44 3.38 -1.82 -2.76 115.31 116.45 1l6u h LEU 29 Ca -0.47 -0.57 0.14 0.00 0.09 0.00 0.00 57.88 57.07 1l6u h LEU 29 Cb 1.24 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 1l6u h LEU 29 CO 0.54 1.03 0.02 -0.07 0.09 0.00 0.00 178.44 180.06 1l6u h LEU 30 N 0.13 -0.24 -0.45 1.67 4.07 -1.92 0.37 115.31 118.94 1l6u h LEU 30 Ca 0.00 0.16 0.02 0.00 0.08 0.00 0.00 57.88 58.14 1l6u h LEU 30 Cb 0.95 0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.93 1l6u h LEU 30 CO 0.08 -0.11 0.27 0.44 -1.08 0.00 0.00 178.44 178.03 1l6u h ASP 31 N 0.14 0.43 0.31 -0.43 5.19 -1.94 0.20 116.42 120.31 1l6u h ASP 31 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1l6u h ASP 31 Cb 0.57 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 1l6u h ASP 31 CO -0.54 0.30 -0.34 0.58 -3.12 0.00 0.00 179.24 176.12 1l6u h VAL 32 N 0.53 0.29 0.25 -1.35 2.07 -0.29 1.23 116.25 118.98 1l6u h VAL 32 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1l6u h VAL 32 Cb 0.02 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1l6u h VAL 32 CO -0.09 0.00 -0.52 0.58 0.02 0.00 0.00 177.57 177.57 1l6u h VAL 33 N -0.69 0.00 -0.83 2.57 2.07 -0.11 0.82 116.25 120.07 1l6u h VAL 33 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.66 1l6u h VAL 33 Cb 0.64 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.31 1l6u h VAL 33 CO -0.09 0.00 0.40 0.58 0.02 0.00 0.00 177.57 178.49 1l6u h VAL 34 N -0.83 0.68 0.00 2.57 2.07 -0.41 1.63 116.25 121.96 1l6u h VAL 34 Ca -0.03 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1l6u h VAL 34 Cb 0.79 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1l6u h VAL 34 CO -0.21 0.10 -0.18 1.56 0.02 0.00 0.00 177.57 178.86 1l6u h GLN 35 N 0.55 0.00 -0.47 1.57 1.08 0.29 -0.66 115.11 117.47 1l6u h GLN 35 Ca 0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.66 1l6u h GLN 35 Cb 0.70 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1l6u h GLN 35 CO -0.39 0.18 0.00 -1.71 -0.95 0.00 0.00 178.83 175.96 1l6u n ASN 36 N -3.86 3.44 -3.40 1.46 5.15 0.27 -4.93 115.26 113.38 1l6u n ASN 36 Ca -0.02 -1.96 -0.21 0.00 -0.60 0.00 0.00 54.58 51.79 1l6u n ASN 36 Cb 0.27 -0.31 -0.03 0.00 -0.53 0.00 0.00 39.78 39.19 1l6u n ASN 36 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1l6u n ASN 37 N 1.33 -2.33 -4.70 1.20 2.85 0.49 -4.78 115.26 109.32 1l6u n ASN 37 Ca 0.19 -0.34 -0.42 0.00 -0.11 0.00 0.00 54.58 53.90 1l6u n ASN 37 Cb 0.56 -2.01 -0.03 0.00 1.24 0.00 0.00 39.78 39.54 1l6u n ASN 37 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1l6u s LEU 38 N -6.21 4.39 -1.09 1.20 1.98 -0.39 -4.90 118.68 113.66 1l6u s LEU 38 Ca 0.39 2.81 -0.15 0.00 -2.89 0.00 0.00 54.13 54.29 1l6u s LEU 38 Cb -0.22 -3.58 0.18 0.00 0.66 0.00 0.00 46.19 43.23 1l6u s LEU 38 CO 0.48 -1.00 1.25 -0.62 -1.89 0.00 0.00 176.35 174.57 1l6u s ASP 39 N 2.11 6.96 -0.05 3.68 -1.08 -1.26 -4.84 116.67 122.19 1l6u s ASP 39 Ca 0.79 -2.79 0.02 0.00 -0.52 0.00 0.00 52.55 50.05 1l6u s ASP 39 Cb -0.48 -2.36 0.01 0.00 -1.46 0.00 0.00 42.92 38.63 1l6u s ASP 39 CO 0.35 -0.76 -0.10 -0.63 0.52 0.00 0.00 175.17 174.54 1l6u s ILE 40 N 1.40 0.96 -1.09 4.11 1.01 -1.26 -5.07 121.20 121.26 1l6u s ILE 40 Ca 0.36 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.42 1l6u s ILE 40 Cb -0.05 -0.88 0.09 0.00 0.01 0.00 0.00 42.46 41.64 1l6u s ILE 40 CO -0.04 0.31 1.43 -1.81 0.00 0.00 0.00 174.94 174.82 1l6u s ASP 41 N 0.52 6.69 0.00 3.58 1.01 -1.26 -3.49 116.67 123.72 1l6u s ASP 41 Ca -0.10 -2.04 0.00 0.00 0.71 0.00 0.00 52.55 51.12 1l6u s ASP 41 Cb -0.13 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1l6u s ASP 41 CO 0.02 -1.21 0.00 0.61 0.21 0.00 0.00 175.17 174.80 1l6u n GLY 42 N 5.81 0.23 2.88 0.21 0.00 -1.26 -4.83 105.19 108.23 1l6u n GLY 42 Ca 0.35 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1l6u n GLY 42 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1l6u n PHE 43 N 0.00 -0.26 -0.64 1.61 7.35 -1.23 -3.56 117.46 120.73 1l6u n PHE 43 Ca 0.00 0.83 -0.32 0.00 -0.76 0.00 0.00 57.45 57.20 1l6u n PHE 43 Cb 0.00 -1.67 0.19 0.00 0.35 0.00 0.00 39.48 38.35 1l6u n PHE 43 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1l6u n GLY 44 N 1.62 -2.34 1.34 7.13 0.00 -1.09 -4.68 105.19 107.16 1l6u n GLY 44 Ca 0.15 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1l6u n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l6u n ALA 45 N -4.47 2.98 0.73 4.61 0.00 -1.26 -4.76 120.51 118.33 1l6u n ALA 45 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1l6u n ALA 45 Cb 0.60 0.31 0.35 0.00 0.00 0.00 0.00 19.45 20.71 1l6u n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6u n GLU 47 N -1.04 0.00 -0.21 0.00 4.07 -1.26 -3.30 120.64 118.90 1l6u n GLU 47 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1l6u n GLU 47 Cb 0.05 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.05 1l6u n GLU 47 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1l6u n GLY 48 N -2.00 1.40 0.91 8.31 0.00 -1.26 -4.95 105.19 107.59 1l6u n GLY 48 Ca 0.00 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 45.99 1l6u n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1l6u n THR 49 N -1.73 0.52 -2.02 2.61 -2.24 -1.21 -4.67 114.28 105.54 1l6u n THR 49 Ca 0.00 -0.62 -0.03 0.00 -2.27 0.00 0.00 64.05 61.13 1l6u n THR 49 Cb 0.04 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1l6u n THR 49 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1l6u n LEU 50 N 0.97 -4.25 -0.78 3.22 4.77 -1.26 -5.01 117.00 114.66 1l6u n LEU 50 Ca 0.18 0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1l6u n LEU 50 Cb 0.46 -1.91 -0.01 0.00 -2.33 0.00 0.00 43.42 39.63 1l6u n LEU 50 CO 0.13 -0.88 0.11 0.00 -1.33 0.00 0.00 177.39 175.42 1l6u n ALA 51 N -0.47 -0.59 0.00 -1.18 0.00 -1.26 -4.98 120.51 112.03 1l6u n ALA 51 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1l6u n ALA 51 Cb 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1l6u n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6u n SER 53 N -2.10 -2.81 -3.18 0.00 3.41 -1.26 -4.88 113.62 102.81 1l6u n SER 53 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1l6u n SER 53 Cb 0.00 -1.77 -0.05 0.00 -0.26 0.00 0.00 64.21 62.13 1l6u n SER 53 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1l6u n THR 54 N -2.29 3.14 -2.25 6.66 -2.24 -1.26 -4.40 114.28 111.64 1l6u n THR 54 Ca 0.00 -5.51 -0.04 0.00 -2.27 0.00 0.00 64.05 56.23 1l6u n THR 54 Cb 0.16 -1.66 -0.01 0.00 -2.10 0.00 0.00 70.33 66.71 1l6u n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l6u s HIS 56 N -0.18 3.50 0.42 0.00 -3.43 -1.26 -0.55 115.29 113.78 1l6u s HIS 56 Ca 0.09 0.62 0.05 0.00 -0.80 0.00 0.00 55.06 55.02 1l6u s HIS 56 Cb 0.16 -2.30 -0.06 0.00 -1.43 0.00 0.00 32.58 28.96 1l6u s HIS 56 CO -0.06 0.32 0.03 -0.51 -2.00 0.00 0.00 174.74 172.52 1l6u s LEU 57 N 0.19 2.53 -0.27 5.38 1.43 -1.15 -4.42 118.68 122.38 1l6u s LEU 57 Ca 0.17 -1.47 0.03 0.00 -1.03 0.00 0.00 54.13 51.83 1l6u s LEU 57 Cb -0.13 -0.70 0.06 0.00 0.03 0.00 0.00 46.19 45.45 1l6u s LEU 57 CO 0.05 -0.62 -0.10 -0.63 0.23 0.00 0.00 176.35 175.28 1l6u s ILE 58 N -2.90 2.22 -0.01 -0.59 1.01 -0.58 -3.33 121.20 117.00 1l6u s ILE 58 Ca 0.27 -1.66 -0.27 0.00 0.00 0.00 0.00 60.65 58.99 1l6u s ILE 58 Cb 0.07 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1l6u s ILE 58 CO 0.14 -0.06 0.84 -0.36 0.00 0.00 0.00 174.94 175.49 1l6u s PHE 59 N 1.10 3.65 0.51 3.97 0.08 -0.21 -1.08 117.98 125.99 1l6u s PHE 59 Ca -0.08 1.49 -0.14 0.00 0.12 0.00 0.00 56.93 58.33 1l6u s PHE 59 Cb -0.20 -2.95 -0.12 0.00 -0.57 0.00 0.00 43.02 39.18 1l6u s PHE 59 CO -0.05 0.08 -0.26 0.39 -0.10 0.00 0.00 175.22 175.29 1l6u n GLU 60 N 3.63 0.00 -1.91 0.44 1.02 -0.85 -4.35 120.64 118.62 1l6u n GLU 60 Ca 0.02 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 1l6u n GLU 60 Cb 0.51 -0.79 -0.07 0.00 -0.02 0.00 0.00 31.44 31.07 1l6u n GLU 60 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1l6u n GLN 61 N 1.42 1.27 0.00 3.49 6.02 -1.26 -1.18 117.38 127.14 1l6u n GLN 61 Ca 0.04 -2.28 0.00 0.00 -0.01 0.00 0.00 57.00 54.75 1l6u n GLN 61 Cb 0.39 -3.73 0.00 0.00 1.02 0.00 0.00 30.24 27.92 1l6u n GLN 61 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1l6u n HIS 62 N 15.23 0.00 -0.04 1.08 -0.00 -1.26 -4.99 115.22 125.24 1l6u n HIS 62 Ca 0.44 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.48 1l6u n HIS 62 Cb 0.46 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.21 1l6u n HIS 62 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1l6u h ILE 63 N 0.00 1.65 -0.96 3.57 2.04 -1.40 -3.26 117.51 119.16 1l6u h ILE 63 Ca 0.00 -2.08 0.07 0.00 1.00 0.00 0.00 64.86 63.84 1l6u h ILE 63 Cb 0.00 3.04 -0.06 0.00 -0.74 0.00 0.00 36.82 39.06 1l6u h ILE 63 CO 0.00 0.55 0.62 0.15 0.00 0.00 0.00 178.15 179.47 1l6u h PHE 64 N -0.75 1.12 0.00 1.37 3.04 -1.75 0.35 116.94 120.32 1l6u h PHE 64 Ca -0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1l6u h PHE 64 Cb 0.97 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 39.12 1l6u h PHE 64 CO 0.22 0.58 0.00 -0.85 -2.02 0.00 0.00 178.31 176.24 1l6u n GLU 65 N -4.50 0.08 -0.12 1.11 -0.00 -1.24 -2.56 120.64 113.40 1l6u n GLU 65 Ca 0.15 0.48 -0.25 0.00 -0.00 0.00 0.00 57.16 57.54 1l6u n GLU 65 Cb 0.20 -1.71 -0.08 0.00 -0.00 0.00 0.00 31.44 29.85 1l6u n GLU 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1l6u n LYS 66 N -1.86 0.55 -0.96 3.44 5.02 0.94 -5.00 118.16 120.29 1l6u n LYS 66 Ca 0.01 0.24 -0.36 0.00 -2.02 0.00 0.00 58.31 56.17 1l6u n LYS 66 Cb 0.08 -1.42 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 1l6u n LYS 66 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1l6u n LEU 67 N -4.21 -4.29 0.00 -0.35 4.77 0.46 -4.95 117.00 108.44 1l6u n LEU 67 Ca -0.45 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.55 1l6u n LEU 67 Cb 0.81 -0.75 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1l6u n LEU 67 CO 0.06 -4.59 0.24 -0.62 -1.33 0.00 0.00 177.39 171.15 1l6u n GLU 68 N 1.72 -1.13 -0.96 3.23 -0.58 -1.26 -4.96 120.64 116.69 1l6u n GLU 68 Ca -0.01 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 56.11 1l6u n GLU 68 Cb 0.62 -0.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.99 1l6u n GLU 68 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1l6u n ALA 69 N -3.46 0.00 -2.75 0.62 0.00 -1.26 -5.05 120.51 108.60 1l6u n ALA 69 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 1l6u n ALA 69 Cb 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 1l6u n ALA 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1l6u s ILE 70 N 1.02 0.13 0.52 0.00 1.10 -1.26 -5.08 121.20 117.63 1l6u s ILE 70 Ca 0.00 -1.11 -0.07 0.00 -0.51 0.00 0.00 60.65 58.96 1l6u s ILE 70 Cb 0.00 -0.69 0.12 0.00 0.15 0.00 0.00 42.46 42.04 1l6u s ILE 70 CO 0.00 -0.61 0.70 0.35 -2.11 0.00 0.00 174.94 173.27 1l6u n THR 71 N 1.08 0.00 0.18 4.00 -2.24 -1.26 -4.85 114.28 111.19 1l6u n THR 71 Ca -0.21 -0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 60.84 1l6u n THR 71 Cb 0.57 -1.58 -0.06 0.00 -2.10 0.00 0.00 70.33 67.16 1l6u n THR 71 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1l6u h ASP 72 N -0.83 -0.44 -0.82 3.42 2.03 -2.02 0.47 116.42 118.23 1l6u h ASP 72 Ca -0.23 -0.10 0.16 0.00 -0.73 0.00 0.00 57.03 56.13 1l6u h ASP 72 Cb 0.67 0.11 -0.15 0.00 -0.83 0.00 0.00 39.33 39.13 1l6u h ASP 72 CO 0.18 0.00 -0.25 -0.08 -1.03 0.00 0.00 179.24 178.06 1l6u h GLU 73 N -1.04 -0.02 -0.29 4.15 4.81 -2.00 0.94 114.58 121.13 1l6u h GLU 73 Ca -0.05 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1l6u h GLU 73 Cb 0.51 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1l6u h GLU 73 CO 0.09 -0.02 -0.23 0.93 -0.73 0.00 0.00 179.01 179.05 1l6u h GLU 74 N -0.02 0.55 -0.33 1.92 5.08 -1.95 -2.26 114.58 117.56 1l6u h GLU 74 Ca 0.37 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1l6u h GLU 74 Cb 0.60 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1l6u h GLU 74 CO -0.85 0.74 0.23 -0.97 -1.00 0.00 0.00 179.01 177.16 1l6u h ASN 75 N 0.48 0.21 0.47 1.42 -0.73 0.31 0.69 115.58 118.44 1l6u h ASN 75 Ca 0.07 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.22 1l6u h ASN 75 Cb 0.67 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.22 1l6u h ASN 75 CO 0.05 0.14 -0.22 -0.78 -0.37 0.00 0.00 177.43 176.25 1l6u h ASP 76 N 0.25 -0.53 0.06 1.15 1.82 -0.23 0.55 116.42 119.49 1l6u h ASP 76 Ca 0.14 -0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1l6u h ASP 76 Cb 0.27 0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 1l6u h ASP 76 CO -0.03 -0.11 -0.02 -0.03 -1.61 0.00 0.00 179.24 177.44 1l6u h MET 77 N -1.11 0.00 0.17 0.28 4.05 -1.22 -1.79 114.93 115.31 1l6u h MET 77 Ca -0.06 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.10 1l6u h MET 77 Cb 0.54 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1l6u h MET 77 CO 0.10 0.02 -1.19 1.25 0.23 0.00 0.00 176.91 177.33 1l6u h LEU 78 N 0.00 0.56 -0.88 3.39 7.12 0.45 -3.32 115.31 122.62 1l6u h LEU 78 Ca -0.00 -0.92 0.19 0.00 0.13 0.00 0.00 57.88 57.28 1l6u h LEU 78 Cb 0.06 -0.18 -0.17 0.00 -0.53 0.00 0.00 40.66 39.84 1l6u h LEU 78 CO 0.00 1.56 -0.14 -2.24 -0.13 0.00 0.00 178.44 177.49 1l6u h ASP 79 N -0.19 -0.69 -1.92 1.25 3.04 0.10 1.75 116.42 119.76 1l6u h ASP 79 Ca -0.22 0.26 0.57 0.00 -3.24 0.00 0.00 57.03 54.39 1l6u h ASP 79 Cb 1.84 0.51 -0.09 0.00 -1.04 0.00 0.00 39.33 40.55 1l6u h ASP 79 CO 0.17 -0.29 1.37 -0.11 -2.04 0.00 0.00 179.24 178.34 1l6u n LEU 80 N -5.52 0.03 -3.89 0.15 -0.00 -1.15 -4.53 117.00 102.07 1l6u n LEU 80 Ca 0.15 1.05 -0.45 0.00 -0.00 0.00 0.00 56.01 56.76 1l6u n LEU 80 Cb 0.51 -0.52 -0.04 0.00 -0.00 0.00 0.00 43.42 43.36 1l6u n LEU 80 CO -0.05 -1.06 0.16 0.00 -0.00 0.00 0.00 177.39 176.44 1l6u n ALA 81 N -2.88 -2.86 -2.12 1.96 0.00 0.60 -4.89 120.51 110.32 1l6u n ALA 81 Ca 0.44 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 54.00 1l6u n ALA 81 Cb 1.98 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 1l6u n ALA 81 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1l6u s TYR 82 N -0.58 3.40 -1.53 0.00 1.51 -1.26 -4.03 117.35 114.86 1l6u s TYR 82 Ca 0.64 1.20 -0.16 0.00 -1.01 0.00 0.00 57.07 57.75 1l6u s TYR 82 Cb -0.92 -2.54 0.16 0.00 -0.11 0.00 0.00 41.96 38.55 1l6u s TYR 82 CO 0.49 0.00 0.40 0.41 -1.11 0.00 0.00 175.55 175.75 1l6u n GLY 83 N -0.70 -0.29 3.60 0.71 0.00 -1.26 -4.66 105.19 102.58 1l6u n GLY 83 Ca 0.04 0.08 -0.58 0.00 0.00 0.00 0.00 46.02 45.55 1l6u n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1l6u n LEU 84 N -3.60 0.99 0.00 0.99 4.77 -1.26 -4.94 117.00 113.95 1l6u n LEU 84 Ca 0.02 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1l6u n LEU 84 Cb 0.42 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1l6u n LEU 84 CO 0.79 -1.29 0.00 0.35 -1.33 0.00 0.00 177.39 175.92 1l6u n THR 85 N 2.62 0.00 0.40 -5.08 -2.24 -1.26 -4.99 114.28 103.72 1l6u n THR 85 Ca 0.22 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.06 1l6u n THR 85 Cb 0.09 -0.92 0.20 0.00 -2.10 0.00 0.00 70.33 67.60 1l6u n THR 85 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1l6u n ASP 86 N -2.78 2.76 -1.20 3.42 2.03 -1.26 -3.74 116.55 115.78 1l6u n ASP 86 Ca 0.00 -2.17 -0.02 0.00 0.52 0.00 0.00 54.79 53.12 1l6u n ASP 86 Cb 0.00 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 1l6u n ASP 86 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1l6u n ARG 87 N 0.63 0.00 -4.80 -0.67 1.85 -1.26 -4.95 116.66 107.47 1l6u n ARG 87 Ca 0.15 -1.43 -0.33 0.00 -1.00 0.00 0.00 57.85 55.24 1l6u n ARG 87 Cb 0.50 0.24 -0.14 0.00 -1.05 0.00 0.00 32.46 32.02 1l6u n ARG 87 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1l6u s SER 88 N -1.43 4.05 -0.38 2.89 0.01 -1.25 -1.04 113.70 116.55 1l6u s SER 88 Ca 0.15 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.13 1l6u s SER 88 Cb 0.18 -1.40 0.19 0.00 0.21 0.00 0.00 66.02 65.20 1l6u s SER 88 CO -0.08 0.22 0.87 -0.60 0.41 0.00 0.00 173.24 174.07 1l6u s ARG 89 N 0.02 0.52 0.67 12.44 3.52 -1.21 -4.77 118.95 130.13 1l6u s ARG 89 Ca -0.04 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 1l6u s ARG 89 Cb -0.14 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.28 1l6u s ARG 89 CO 0.04 -0.71 0.00 1.28 -0.81 0.00 0.00 175.30 175.10 1l6u n LEU 90 N 3.67 0.00 0.00 -0.88 4.77 -1.26 -4.78 117.00 118.53 1l6u n LEU 90 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1l6u n LEU 90 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1l6u n LEU 90 CO -0.06 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.13 1l6u n GLY 91 N 0.00 -0.07 0.34 -0.72 0.00 0.28 -2.93 105.19 102.09 1l6u n GLY 91 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1l6u n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l6u n GLN 93 N -4.40 0.00 -1.46 0.00 6.02 -1.26 -4.33 117.38 111.95 1l6u n GLN 93 Ca -0.09 0.03 -0.52 0.00 -0.01 0.00 0.00 57.00 56.40 1l6u n GLN 93 Cb 0.33 -0.32 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 1l6u n GLN 93 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1l6u n ILE 94 N -0.07 1.10 -3.82 5.09 0.00 -1.25 -4.94 119.36 115.47 1l6u n ILE 94 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 62.75 62.26 1l6u n ILE 94 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 39.64 39.52 1l6u n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1l6u s LEU 96 N -3.99 3.95 0.33 0.00 1.43 -1.19 -4.85 118.68 114.36 1l6u s LEU 96 Ca 0.41 2.80 0.07 0.00 -1.03 0.00 0.00 54.13 56.37 1l6u s LEU 96 Cb -0.06 -4.15 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 1l6u s LEU 96 CO 0.27 -1.40 0.30 0.42 0.23 0.00 0.00 176.35 176.16 1l6u s THR 97 N -1.28 0.00 -0.43 5.49 -4.23 -1.26 -2.63 115.64 111.30 1l6u s THR 97 Ca 0.67 -1.96 0.26 0.00 -1.18 0.00 0.00 61.69 59.48 1l6u s THR 97 Cb -0.41 -2.52 0.33 0.00 1.34 0.00 0.00 72.50 71.24 1l6u s THR 97 CO 0.50 0.00 1.72 0.11 -0.54 0.00 0.00 174.62 176.42 1l6u h LYS 98 N 2.13 0.00 -0.08 3.99 1.57 -1.97 -2.65 116.57 119.56 1l6u h LYS 98 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1l6u h LYS 98 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1l6u h LYS 98 CO 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.24 1l6u n ALA 99 N -1.99 2.55 -0.07 3.86 0.00 -1.26 -3.80 120.51 119.79 1l6u n ALA 99 Ca 0.04 -0.26 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 1l6u n ALA 99 Cb 0.44 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 1l6u n ALA 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1l6u n MET 100 N -0.29 0.33 0.00 0.00 2.81 -1.00 -4.92 117.12 114.04 1l6u n MET 100 Ca 0.12 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1l6u n MET 100 Cb 0.15 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1l6u n MET 100 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1l6u n ASP 101 N -3.77 0.00 -0.16 7.83 2.03 -1.19 0.23 116.55 121.52 1l6u n ASP 101 Ca -0.27 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.04 1l6u n ASP 101 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 1l6u n ASP 101 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1l6u n ASN 102 N 0.00 -1.32 -4.82 1.67 2.85 0.71 -4.78 115.26 109.58 1l6u n ASN 102 Ca 0.00 -0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.14 1l6u n ASN 102 Cb 0.00 -0.53 -0.05 0.00 1.24 0.00 0.00 39.78 40.44 1l6u n ASN 102 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1l6u s MET 103 N -4.29 4.01 -0.08 1.20 0.23 0.64 -4.81 119.30 116.19 1l6u s MET 103 Ca 0.00 1.17 0.04 0.00 -1.03 0.00 0.00 55.69 55.87 1l6u s MET 103 Cb -0.00 -2.14 -0.01 0.00 -1.53 0.00 0.00 34.83 31.15 1l6u s MET 103 CO 0.00 -0.23 -0.21 0.99 -2.03 0.00 0.00 175.02 173.55 1l6u s THR 104 N -2.20 2.41 0.10 3.16 2.01 -1.26 0.20 115.64 120.06 1l6u s THR 104 Ca 0.63 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1l6u s THR 104 Cb -0.12 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1l6u s THR 104 CO 0.19 0.56 -0.11 0.68 -0.69 0.00 0.00 174.62 175.25 1l6u s VAL 105 N 0.02 1.02 0.14 3.82 -7.23 0.21 -2.01 120.40 116.38 1l6u s VAL 105 Ca -0.08 -1.68 0.10 0.00 -1.81 0.00 0.00 61.98 58.51 1l6u s VAL 105 Cb -0.15 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 1l6u s VAL 105 CO 0.05 -0.55 -0.22 -0.60 -0.31 0.00 0.00 175.10 173.48 1l6u s ARG 106 N -2.84 1.61 -0.38 4.82 3.52 -0.24 0.20 118.95 125.64 1l6u s ARG 106 Ca 0.07 -1.30 -0.09 0.00 -0.13 0.00 0.00 55.73 54.28 1l6u s ARG 106 Cb -0.03 -1.99 0.05 0.00 -1.56 0.00 0.00 34.95 31.42 1l6u s ARG 106 CO 0.01 0.45 0.18 0.08 -0.81 0.00 0.00 175.30 175.21 1l6u s VAL 107 N -1.22 4.14 -2.00 7.11 1.01 -0.12 -1.53 120.40 127.79 1l6u s VAL 107 Ca 0.17 -1.15 0.24 0.00 0.00 0.00 0.00 61.98 61.24 1l6u s VAL 107 Cb -0.10 -3.41 0.68 0.00 0.00 0.00 0.00 36.38 33.56 1l6u s VAL 107 CO 0.09 -0.31 1.79 -0.81 0.00 0.00 0.00 175.10 175.86