#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fks s VAL 2 N 0.00 2.09 0.19 1.61 0.11 -1.26 -2.89 120.40 120.25 1fks s VAL 2 Ca 0.00 -1.71 0.10 0.00 -2.93 0.00 0.00 61.98 57.44 1fks s VAL 2 Cb 0.00 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1fks s VAL 2 CO 0.00 0.03 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.49 1fks s GLN 3 N -2.06 1.41 -0.27 1.54 -0.21 -0.81 -4.97 119.66 114.29 1fks s GLN 3 Ca 0.12 -1.50 0.01 0.00 0.02 0.00 0.00 55.36 54.01 1fks s GLN 3 Cb -0.10 -1.55 0.08 0.00 1.00 0.00 0.00 33.01 32.44 1fks s GLN 3 CO 0.06 0.32 0.01 0.08 -2.12 0.00 0.00 175.29 173.63 1fks s VAL 4 N -2.01 1.39 -0.44 1.09 1.01 -1.26 -2.46 120.40 117.72 1fks s VAL 4 Ca 0.19 -1.39 -0.09 0.00 0.00 0.00 0.00 61.98 60.69 1fks s VAL 4 Cb -0.06 -1.84 0.10 0.00 0.00 0.00 0.00 36.38 34.58 1fks s VAL 4 CO 0.09 -0.34 0.29 -1.61 0.00 0.00 0.00 175.10 173.52 1fks s GLU 5 N 1.41 2.52 0.51 2.72 2.02 -0.90 -4.98 118.70 122.02 1fks s GLU 5 Ca 0.01 -1.59 -0.17 0.00 0.02 0.00 0.00 54.97 53.24 1fks s GLU 5 Cb -0.18 -3.82 -0.08 0.00 0.10 0.00 0.00 34.13 30.15 1fks s GLU 5 CO -0.12 -1.05 0.99 0.99 0.02 0.00 0.00 175.26 176.10 1fks s THR 6 N 1.38 4.44 0.02 3.63 2.01 -1.26 -0.27 115.64 125.60 1fks s THR 6 Ca 0.04 1.21 0.00 0.00 0.31 0.00 0.00 61.69 63.25 1fks s THR 6 Cb -0.24 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1fks s THR 6 CO 0.01 -0.63 0.00 -0.38 -0.69 0.00 0.00 174.62 172.92 1fks n ILE 7 N -1.52 0.14 -3.83 1.82 5.41 -0.73 -4.90 119.36 115.75 1fks n ILE 7 Ca 0.07 0.05 -0.28 0.00 1.00 0.00 0.00 62.75 63.59 1fks n ILE 7 Cb 0.54 -1.35 -0.12 0.00 -0.71 0.00 0.00 39.64 38.00 1fks n ILE 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1fks s SER 8 N -5.12 4.37 0.87 4.38 0.15 -1.07 -5.02 113.70 112.26 1fks s SER 8 Ca 0.00 -3.73 -0.19 0.00 0.70 0.00 0.00 55.95 52.72 1fks s SER 8 Cb 0.00 -1.48 -0.15 0.00 -1.71 0.00 0.00 66.02 62.68 1fks s SER 8 CO 0.00 -0.10 -1.03 -2.65 1.20 0.00 0.00 173.24 170.66 1fks n PRO 9 N 2.11 0.00 -2.55 5.44 -0.02 -1.26 -2.33 135.00 136.39 1fks n PRO 9 Ca 0.21 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.62 1fks n PRO 9 Cb 0.37 -0.87 -0.01 0.00 -0.02 0.00 0.00 33.50 32.97 1fks n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fks n GLY 10 N 3.03 4.06 0.37 -1.23 0.00 -1.26 -4.42 105.19 105.74 1fks n GLY 10 Ca -0.02 -2.22 -0.07 0.00 0.00 0.00 0.00 46.02 43.72 1fks n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1fks h ASP 11 N 0.26 -1.36 0.00 1.61 2.03 -1.86 -3.46 116.42 113.63 1fks h ASP 11 Ca -0.09 0.24 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1fks h ASP 11 Cb 0.26 0.65 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 1fks h ASP 11 CO 0.14 -0.32 0.00 0.61 -1.03 0.00 0.00 179.24 178.64 1fks n GLY 12 N -1.42 1.00 0.00 7.15 0.00 -1.26 -4.96 105.19 105.70 1fks n GLY 12 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1fks n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fks n ARG 13 N -1.10 2.81 -3.99 1.61 1.74 -1.26 -5.02 116.66 111.45 1fks n ARG 13 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 1fks n ARG 13 Cb 0.00 -0.68 -0.14 0.00 -1.02 0.00 0.00 32.46 30.62 1fks n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fks s THR 14 N -1.11 3.09 0.42 0.55 2.01 -1.26 -5.08 115.64 114.27 1fks s THR 14 Ca 0.00 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1fks s THR 14 Cb 0.00 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1fks s THR 14 CO 0.00 0.45 0.05 -0.36 -0.69 0.00 0.00 174.62 174.08 1fks s PHE 15 N 1.39 1.97 0.47 4.92 0.40 -1.26 -0.61 117.98 125.25 1fks s PHE 15 Ca 0.05 -1.01 -0.23 0.00 -0.60 0.00 0.00 56.93 55.13 1fks s PHE 15 Cb -0.14 -1.43 -0.07 0.00 0.51 0.00 0.00 43.02 41.89 1fks s PHE 15 CO -0.05 0.06 1.28 -2.14 0.70 0.00 0.00 175.22 175.06 1fks s PRO 16 N -3.80 3.61 0.43 0.24 0.02 -1.26 -4.89 135.00 129.35 1fks s PRO 16 Ca 0.23 2.06 0.06 0.00 0.02 0.00 0.00 61.00 63.36 1fks s PRO 16 Cb 0.05 -2.46 -0.06 0.00 0.02 0.00 0.00 34.50 32.04 1fks s PRO 16 CO 0.12 -0.76 0.03 0.15 -0.33 0.00 0.00 177.00 176.21 1fks s LYS 17 N -2.63 2.03 -0.53 5.54 1.02 -1.26 -5.04 119.74 118.87 1fks s LYS 17 Ca 0.64 -2.14 -0.28 0.00 0.02 0.00 0.00 55.97 54.21 1fks s LYS 17 Cb -0.36 -1.65 0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1fks s LYS 17 CO 0.44 -0.12 1.48 1.03 -0.92 0.00 0.00 175.35 177.26 1fks s ARG 18 N -3.76 3.27 0.00 1.68 0.52 -1.26 -2.36 118.95 117.04 1fks s ARG 18 Ca 0.30 0.59 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 1fks s ARG 18 Cb 0.08 -4.14 0.00 0.00 0.52 0.00 0.00 34.95 31.41 1fks s ARG 18 CO 0.16 -1.97 0.00 0.41 0.02 0.00 0.00 175.30 173.92 1fks n GLY 19 N 5.29 1.15 3.87 -3.53 0.00 -1.26 -5.11 105.19 105.60 1fks n GLY 19 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1fks n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fks s GLN 20 N -0.04 2.43 0.11 1.61 -1.52 -0.99 -5.06 119.66 116.19 1fks s GLN 20 Ca 0.00 -1.68 0.10 0.00 -1.95 0.00 0.00 55.36 51.83 1fks s GLN 20 Cb 0.00 -2.29 -0.04 0.00 -0.22 0.00 0.00 33.01 30.46 1fks s GLN 20 CO 0.00 -0.31 -0.24 0.99 -0.25 0.00 0.00 175.29 175.48 1fks s THR 21 N -2.56 2.42 -0.05 -0.19 2.01 -1.26 -3.79 115.64 112.22 1fks s THR 21 Ca 0.45 -1.62 0.00 0.00 0.31 0.00 0.00 61.69 60.83 1fks s THR 21 Cb -0.02 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1fks s THR 21 CO 0.26 0.14 -0.02 0.00 -0.69 0.00 0.00 174.62 174.31 1fks s VAL 23 N -0.94 2.89 0.16 0.00 1.01 0.47 -2.28 120.40 121.71 1fks s VAL 23 Ca 0.15 -2.08 0.11 0.00 0.00 0.00 0.00 61.98 60.16 1fks s VAL 23 Cb -0.11 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1fks s VAL 23 CO 0.05 -0.59 -0.25 0.68 0.00 0.00 0.00 175.10 174.99 1fks s VAL 24 N 1.07 2.27 -0.13 2.92 -7.23 -0.60 -0.37 120.40 118.33 1fks s VAL 24 Ca 0.07 -1.88 -0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1fks s VAL 24 Cb -0.21 -2.04 0.03 0.00 0.56 0.00 0.00 36.38 34.72 1fks s VAL 24 CO -0.05 -0.02 -0.07 -2.28 -0.31 0.00 0.00 175.10 172.37 1fks s HIS 25 N -1.36 1.56 0.30 2.82 2.46 -1.06 -1.13 115.29 118.87 1fks s HIS 25 Ca 0.17 -0.86 0.03 0.00 0.47 0.00 0.00 55.06 54.87 1fks s HIS 25 Cb -0.09 -1.26 -0.04 0.00 -0.13 0.00 0.00 32.58 31.05 1fks s HIS 25 CO 0.08 -0.55 0.13 1.52 -2.47 0.00 0.00 174.74 173.45 1fks s TYR 26 N 1.68 1.60 -0.12 3.88 1.13 -1.26 -2.06 117.35 122.21 1fks s TYR 26 Ca 0.04 -1.29 -0.01 0.00 -1.41 0.00 0.00 57.07 54.40 1fks s TYR 26 Cb -0.13 -0.91 0.03 0.00 -1.10 0.00 0.00 41.96 39.85 1fks s TYR 26 CO -0.08 -0.43 -0.02 0.99 -2.51 0.00 0.00 175.55 173.50 1fks s THR 27 N -3.62 0.69 -0.17 -3.49 2.01 -1.04 -0.39 115.64 109.63 1fks s THR 27 Ca 0.36 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 1fks s THR 27 Cb 0.06 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 1fks s THR 27 CO 0.16 0.20 0.13 -0.83 -0.69 0.00 0.00 174.62 173.59 1fks s GLY 28 N 1.83 2.09 0.28 4.40 0.00 0.03 -1.88 107.32 114.06 1fks s GLY 28 Ca 0.03 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.11 1fks s GLY 28 CO -0.07 -0.09 0.14 -0.29 0.00 0.00 0.00 173.10 172.80 1fks s MET 29 N -0.24 1.49 0.30 2.90 1.75 -0.24 -3.49 119.30 121.77 1fks s MET 29 Ca 0.11 -1.83 0.11 0.00 -1.25 0.00 0.00 55.69 52.83 1fks s MET 29 Cb -0.11 -0.06 -0.05 0.00 2.84 0.00 0.00 34.83 37.44 1fks s MET 29 CO 0.01 -0.41 -0.14 -0.51 -0.65 0.00 0.00 175.02 173.32 1fks s LEU 30 N -3.32 2.72 0.08 4.11 1.43 -1.00 -1.83 118.68 120.86 1fks s LEU 30 Ca 0.37 -1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 52.36 1fks s LEU 30 Cb 0.06 -1.16 0.05 0.00 0.03 0.00 0.00 46.19 45.17 1fks s LEU 30 CO 0.16 -0.04 0.60 -0.62 0.23 0.00 0.00 176.35 176.68 1fks n GLU 31 N -0.72 -0.12 -2.68 1.70 1.02 -1.26 -3.49 120.64 115.09 1fks n GLU 31 Ca -0.05 0.60 -0.04 0.00 -0.02 0.00 0.00 57.16 57.65 1fks n GLU 31 Cb 0.61 -0.88 0.12 0.00 -0.02 0.00 0.00 31.44 31.27 1fks n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1fks n ASP 32 N -4.54 -1.54 0.00 1.62 5.75 -1.26 -5.05 116.55 111.53 1fks n ASP 32 Ca 0.03 -2.31 0.00 0.00 -0.01 0.00 0.00 54.79 52.50 1fks n ASP 32 Cb 0.14 0.77 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 1fks n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fks n GLY 33 N -1.16 0.43 0.00 6.12 0.00 -1.23 -5.17 105.19 104.19 1fks n GLY 33 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1fks n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1fks n LYS 34 N -0.52 0.00 -3.32 1.61 0.00 -1.26 -4.97 118.16 109.69 1fks n LYS 34 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1fks n LYS 34 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 34.97 1fks n LYS 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1fks s LYS 35 N -0.94 4.17 0.00 -1.58 -2.85 -1.26 -2.38 119.74 114.90 1fks s LYS 35 Ca 0.00 0.61 0.00 0.00 -1.00 0.00 0.00 55.97 55.58 1fks s LYS 35 Cb 0.00 -3.29 0.00 0.00 -2.06 0.00 0.00 37.83 32.48 1fks s LYS 35 CO 0.00 0.52 0.00 1.97 0.10 0.00 0.00 175.35 177.94 1fks n PHE 36 N 2.27 0.00 -3.50 1.78 -1.74 -1.23 -4.96 117.46 110.08 1fks n PHE 36 Ca -0.10 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.50 1fks n PHE 36 Cb 0.51 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.39 1fks n PHE 36 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1fks s ASP 37 N -3.63 3.13 0.37 5.98 1.01 -1.26 -5.06 116.67 117.20 1fks s ASP 37 Ca 0.00 -2.12 0.08 0.00 0.71 0.00 0.00 52.55 51.21 1fks s ASP 37 Cb 0.00 -0.47 -0.03 0.00 1.01 0.00 0.00 42.92 43.43 1fks s ASP 37 CO 0.00 -0.32 0.26 -0.44 0.21 0.00 0.00 175.17 174.88 1fks s SER 38 N 1.12 4.91 -0.61 0.27 0.01 -1.26 -0.79 113.70 117.34 1fks s SER 38 Ca 0.17 -0.74 0.05 0.00 1.31 0.00 0.00 55.95 56.73 1fks s SER 38 Cb -0.22 -0.70 0.32 0.00 0.21 0.00 0.00 66.02 65.63 1fks s SER 38 CO -0.04 -0.46 0.94 -1.54 0.41 0.00 0.00 173.24 172.56 1fks n SER 39 N -1.34 4.47 -3.38 2.44 3.41 0.48 -4.85 113.62 114.85 1fks n SER 39 Ca -0.00 -3.65 -0.37 0.00 -0.26 0.00 0.00 58.87 54.59 1fks n SER 39 Cb 0.62 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1fks n SER 39 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1fks n ARG 40 N -0.05 4.66 -3.16 4.33 -4.01 -1.26 -4.61 116.66 112.55 1fks n ARG 40 Ca 0.31 -4.66 -0.41 0.00 -1.04 0.00 0.00 57.85 52.05 1fks n ARG 40 Cb 0.39 -2.39 -0.07 0.00 -3.04 0.00 0.00 32.46 27.35 1fks n ARG 40 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1fks s ASP 41 N -1.97 6.44 0.00 2.89 1.11 -1.26 -5.00 116.67 118.88 1fks s ASP 41 Ca 0.43 0.34 0.00 0.00 0.18 0.00 0.00 52.55 53.50 1fks s ASP 41 Cb 0.23 -2.31 0.00 0.00 1.07 0.00 0.00 42.92 41.91 1fks s ASP 41 CO -0.15 -0.45 0.00 0.54 1.18 0.00 0.00 175.17 176.29 1fks n ARG 42 N 5.80 0.00 -0.05 8.23 3.00 -1.26 -3.71 116.66 128.66 1fks n ARG 42 Ca -0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.85 57.75 1fks n ARG 42 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.89 1fks n ARG 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1fks n ASN 43 N -0.86 2.99 -4.33 0.55 3.02 -1.26 -4.97 115.26 110.41 1fks n ASN 43 Ca 0.00 -0.04 -0.38 0.00 -0.03 0.00 0.00 54.58 54.13 1fks n ASN 43 Cb 0.00 0.08 -0.12 0.00 -0.61 0.00 0.00 39.78 39.13 1fks n ASN 43 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1fks s LYS 44 N -2.23 2.95 0.00 3.52 1.02 -1.24 -5.10 119.74 118.66 1fks s LYS 44 Ca -0.12 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1fks s LYS 44 Cb 0.04 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1fks s LYS 44 CO 0.30 -0.52 0.00 -2.30 -0.92 0.00 0.00 175.35 171.91 1fks n PRO 45 N 4.87 2.88 -4.04 -1.68 -0.02 -1.26 -4.66 135.00 131.09 1fks n PRO 45 Ca -0.14 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.00 1fks n PRO 45 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.88 1fks n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1fks s PHE 46 N 0.00 3.40 -0.07 6.00 5.36 -0.29 -4.98 117.98 127.40 1fks s PHE 46 Ca 0.00 0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.28 1fks s PHE 46 Cb 0.00 -1.81 0.02 0.00 -0.34 0.00 0.00 43.02 40.90 1fks s PHE 46 CO 0.00 0.61 -0.05 0.15 -1.46 0.00 0.00 175.22 174.47 1fks s LYS 47 N -1.55 1.04 0.25 10.12 1.02 -1.26 -1.56 119.74 127.80 1fks s LYS 47 Ca 0.21 -0.11 0.02 0.00 0.02 0.00 0.00 55.97 56.11 1fks s LYS 47 Cb -0.12 -1.14 -0.04 0.00 -0.52 0.00 0.00 37.83 36.01 1fks s LYS 47 CO 0.12 -0.18 0.16 -0.59 -0.92 0.00 0.00 175.35 173.93 1fks s PHE 48 N 1.41 1.42 0.08 3.18 -0.71 -0.97 -4.93 117.98 117.46 1fks s PHE 48 Ca -0.03 -1.40 0.08 0.00 -1.04 0.00 0.00 56.93 54.55 1fks s PHE 48 Cb -0.13 -0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 40.94 1fks s PHE 48 CO -0.03 -0.62 -0.20 1.41 -1.34 0.00 0.00 175.22 174.44 1fks s MET 49 N -3.94 1.85 -0.22 1.99 1.75 -1.26 -0.27 119.30 119.20 1fks s MET 49 Ca 0.38 -1.11 -0.19 0.00 -1.25 0.00 0.00 55.69 53.52 1fks s MET 49 Cb 0.06 -2.11 -0.03 0.00 2.84 0.00 0.00 34.83 35.59 1fks s MET 49 CO 0.16 0.50 0.55 -1.17 -0.65 0.00 0.00 175.02 174.42 1fks s LEU 50 N -1.77 4.11 0.00 4.11 2.96 -1.25 -4.08 118.68 122.76 1fks s LEU 50 Ca 0.16 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1fks s LEU 50 Cb -0.10 -2.75 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1fks s LEU 50 CO 0.07 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.46 1fks n GLY 51 N 4.01 1.23 0.00 7.98 0.00 -1.26 -4.39 105.19 112.76 1fks n GLY 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1fks n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fks n LYS 52 N -1.24 4.64 -3.20 1.61 4.81 -1.26 -5.06 118.16 118.46 1fks n LYS 52 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1fks n LYS 52 Cb 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 35.03 34.62 1fks n LYS 52 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1fks n GLN 53 N -0.78 -1.53 -0.06 1.64 6.02 -1.26 -4.93 117.38 116.47 1fks n GLN 53 Ca 0.00 1.43 -0.06 0.00 -0.01 0.00 0.00 57.00 58.36 1fks n GLN 53 Cb 0.00 -4.92 -0.11 0.00 1.02 0.00 0.00 30.24 26.24 1fks n GLN 53 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1fks n GLU 54 N -1.69 1.76 -4.24 -1.09 1.02 -1.26 -4.97 120.64 110.16 1fks n GLU 54 Ca -0.05 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.82 1fks n GLU 54 Cb 0.54 -1.35 -0.08 0.00 -0.02 0.00 0.00 31.44 30.54 1fks n GLU 54 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1fks s VAL 55 N -2.35 3.57 1.26 2.62 -7.23 -1.26 -5.11 120.40 111.90 1fks s VAL 55 Ca -0.07 -1.61 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 1fks s VAL 55 Cb 0.04 -2.83 0.28 0.00 0.56 0.00 0.00 36.38 34.43 1fks s VAL 55 CO 0.55 -0.19 0.64 2.30 -0.31 0.00 0.00 175.10 178.09 1fks n ILE 56 N -0.35 0.00 0.25 -0.62 -5.35 -1.26 -4.70 119.36 107.33 1fks n ILE 56 Ca -0.09 -0.15 -0.11 0.00 -0.27 0.00 0.00 62.75 62.14 1fks n ILE 56 Cb 0.56 -0.80 -0.05 0.00 -1.74 0.00 0.00 39.64 37.61 1fks n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1fks h ARG 57 N -3.03 -0.66 -0.50 6.28 2.43 -1.74 -2.94 114.38 114.22 1fks h ARG 57 Ca -0.42 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 58.97 1fks h ARG 57 Cb 1.18 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.83 1fks h ARG 57 CO 0.28 -0.44 0.31 0.41 -1.51 0.00 0.00 179.97 179.03 1fks n GLY 58 N -0.01 -0.31 0.00 2.80 0.00 -1.17 0.48 105.19 106.98 1fks n GLY 58 Ca -0.09 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1fks n GLY 58 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fks n TRP 59 N -3.46 0.00 -0.16 1.61 7.02 -1.21 -0.70 117.44 120.54 1fks n TRP 59 Ca 0.15 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.61 1fks n TRP 59 Cb 0.57 -0.20 0.00 0.00 -2.42 0.00 0.00 31.31 29.26 1fks n TRP 59 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1fks n GLU 60 N -1.11 -0.12 0.03 -0.99 2.13 0.18 0.26 120.64 121.03 1fks n GLU 60 Ca 0.00 0.62 -0.12 0.00 0.66 0.00 0.00 57.16 58.32 1fks n GLU 60 Cb 0.00 -0.92 -0.09 0.00 0.27 0.00 0.00 31.44 30.70 1fks n GLU 60 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1fks h GLU 61 N 0.00 -0.13 0.00 5.31 4.57 -0.97 -2.53 114.58 120.83 1fks h GLU 61 Ca 0.12 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1fks h GLU 61 Cb 0.22 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1fks h GLU 61 CO -0.40 0.33 0.00 0.41 -1.18 0.00 0.00 179.01 178.18 1fks n GLY 62 N 0.34 -2.75 0.34 1.92 0.00 0.71 -2.23 105.19 103.52 1fks n GLY 62 Ca -0.08 0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1fks n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fks h VAL 63 N 0.00 0.07 -0.37 1.61 2.07 0.35 -0.50 116.25 119.48 1fks h VAL 63 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1fks h VAL 63 Cb 0.00 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 29.77 1fks h VAL 63 CO 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 177.11 1fks h ALA 64 N 1.91 -0.70 0.00 1.67 0.00 -1.45 0.54 119.26 121.22 1fks h ALA 64 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1fks h ALA 64 Cb 0.67 1.08 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1fks h ALA 64 CO -0.95 -0.94 0.33 0.94 0.00 0.00 0.00 179.25 178.62 1fks n GLN 65 N -4.97 0.02 -3.74 0.00 7.27 -0.23 -4.45 117.38 111.28 1fks n GLN 65 Ca -0.03 0.31 -0.24 0.00 0.07 0.00 0.00 57.00 57.11 1fks n GLN 65 Cb 0.29 -1.89 -0.02 0.00 2.41 0.00 0.00 30.24 31.02 1fks n GLN 65 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1fks s MET 66 N -2.66 3.47 0.13 3.69 -1.94 0.19 -5.09 119.30 117.09 1fks s MET 66 Ca -0.00 -0.52 0.09 0.00 -1.71 0.00 0.00 55.69 53.55 1fks s MET 66 Cb 0.01 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.98 1fks s MET 66 CO 0.03 0.36 -0.16 -1.54 -0.01 0.00 0.00 175.02 173.69 1fks s SER 67 N -3.69 3.97 -0.87 3.03 1.04 -1.26 -4.46 113.70 111.46 1fks s SER 67 Ca 0.37 -0.56 -0.29 0.00 0.48 0.00 0.00 55.95 55.95 1fks s SER 67 Cb -0.10 -0.58 -0.19 0.00 0.10 0.00 0.00 66.02 65.25 1fks s SER 67 CO 0.31 0.17 2.60 0.52 0.98 0.00 0.00 173.24 177.81 1fks n VAL 68 N 0.66 -0.02 0.00 5.02 0.31 0.22 0.31 118.33 124.83 1fks n VAL 68 Ca -0.15 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1fks n VAL 68 Cb 0.53 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 1fks n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fks n GLY 69 N 6.34 1.21 3.71 2.92 0.00 -0.97 -4.15 105.19 114.25 1fks n GLY 69 Ca 0.58 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.29 1fks n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fks s GLN 70 N -0.39 2.78 -0.00 1.61 0.74 0.15 -4.10 119.66 120.44 1fks s GLN 70 Ca 0.00 -0.67 0.04 0.00 0.05 0.00 0.00 55.36 54.78 1fks s GLN 70 Cb 0.00 -2.67 -0.01 0.00 1.10 0.00 0.00 33.01 31.43 1fks s GLN 70 CO 0.00 0.60 -0.13 0.50 -0.55 0.00 0.00 175.29 175.71 1fks s ARG 71 N -1.91 1.01 0.33 1.67 3.52 -0.98 -2.06 118.95 120.53 1fks s ARG 71 Ca 0.23 -0.50 -0.04 0.00 -0.13 0.00 0.00 55.73 55.30 1fks s ARG 71 Cb -0.12 -0.99 0.00 0.00 -1.56 0.00 0.00 34.95 32.29 1fks s ARG 71 CO 0.15 0.27 0.48 0.00 -0.81 0.00 0.00 175.30 175.39 1fks s ALA 72 N -0.38 0.61 -0.29 6.12 0.00 -0.17 -1.78 121.76 125.87 1fks s ALA 72 Ca 0.04 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.60 1fks s ALA 72 Cb -0.05 1.13 0.08 0.00 0.00 0.00 0.00 23.12 24.28 1fks s ALA 72 CO -0.00 -0.80 -0.00 0.21 0.00 0.00 0.00 175.76 175.16 1fks s LYS 73 N -3.12 1.55 0.18 0.00 2.20 0.63 -1.24 119.74 119.94 1fks s LYS 73 Ca 0.29 -1.42 -0.05 0.00 -0.36 0.00 0.00 55.97 54.43 1fks s LYS 73 Cb -0.01 -2.80 -0.05 0.00 -1.51 0.00 0.00 37.83 33.46 1fks s LYS 73 CO 0.19 -0.78 0.42 -0.51 -0.36 0.00 0.00 175.35 174.30 1fks s LEU 74 N 1.18 4.22 -0.21 5.43 1.43 -0.13 -2.11 118.68 128.49 1fks s LEU 74 Ca 0.02 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 1fks s LEU 74 Cb -0.19 -3.35 0.04 0.00 0.03 0.00 0.00 46.19 42.72 1fks s LEU 74 CO -0.09 -0.01 -0.12 -0.89 0.23 0.00 0.00 176.35 175.47 1fks s THR 75 N -1.76 1.83 -0.12 5.49 2.01 -1.03 -2.15 115.64 119.91 1fks s THR 75 Ca 0.42 -1.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 1fks s THR 75 Cb -0.12 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1fks s THR 75 CO 0.26 0.20 0.00 -0.63 -0.69 0.00 0.00 174.62 173.76 1fks s ILE 76 N 1.31 4.29 0.16 1.82 1.01 -0.35 -1.93 121.20 127.52 1fks s ILE 76 Ca -0.02 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.45 1fks s ILE 76 Cb -0.16 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1fks s ILE 76 CO -0.08 0.55 0.13 -0.94 0.00 0.00 0.00 174.94 174.60 1fks s SER 77 N -0.33 5.53 0.21 3.58 1.04 -1.14 -1.72 113.70 120.87 1fks s SER 77 Ca 0.07 -0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.24 1fks s SER 77 Cb -0.12 -1.45 0.26 0.00 0.10 0.00 0.00 66.02 64.81 1fks s SER 77 CO 0.02 0.08 1.38 -0.81 0.98 0.00 0.00 173.24 174.88 1fks n PRO 78 N -0.28 -0.18 -0.36 4.02 -0.04 -1.26 -0.08 135.00 136.82 1fks n PRO 78 Ca -0.08 1.37 0.30 0.00 -0.04 0.00 0.00 63.50 65.04 1fks n PRO 78 Cb 0.54 -2.03 0.55 0.00 -0.04 0.00 0.00 33.50 32.52 1fks n PRO 78 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1fks h ASP 79 N 0.00 0.39 0.04 3.54 2.03 -1.94 0.84 116.42 121.32 1fks h ASP 79 Ca 0.33 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.83 1fks h ASP 79 Cb 0.56 0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.22 1fks h ASP 79 CO -0.89 -0.23 -1.78 -1.22 -1.03 0.00 0.00 179.24 174.09 1fks n TYR 80 N -5.01 0.03 0.00 4.15 4.02 0.88 -4.71 117.16 116.54 1fks n TYR 80 Ca 0.35 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.25 1fks n TYR 80 Cb 1.19 -0.43 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 1fks n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fks n ALA 81 N -2.12 0.00 -3.26 -0.72 0.00 0.27 -2.42 120.51 112.27 1fks n ALA 81 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.10 1fks n ALA 81 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1fks n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fks n TYR 82 N 0.00 3.25 0.00 0.00 4.01 -1.24 -4.64 117.16 118.53 1fks n TYR 82 Ca 0.00 -3.65 0.00 0.00 -0.16 0.00 0.00 57.90 54.09 1fks n TYR 82 Cb 0.00 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.26 1fks n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fks n GLY 83 N 0.90 0.14 0.00 2.72 0.00 -1.13 -3.43 105.19 104.38 1fks n GLY 83 Ca 0.29 0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.35 1fks n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fks n ALA 84 N 0.62 2.07 -3.77 4.61 0.00 -1.26 -4.60 120.51 118.18 1fks n ALA 84 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 1fks n ALA 84 Cb 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.30 1fks n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fks s THR 85 N -1.97 3.52 0.00 0.00 2.01 -1.22 -4.49 115.64 113.49 1fks s THR 85 Ca -0.00 -3.29 0.00 0.00 0.31 0.00 0.00 61.69 58.71 1fks s THR 85 Cb 0.01 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1fks s THR 85 CO 0.06 -0.90 0.00 0.61 -0.69 0.00 0.00 174.62 173.69 1fks n GLY 86 N 3.10 -0.09 3.64 4.40 0.00 -1.25 -5.00 105.19 109.99 1fks n GLY 86 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 1fks n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fks s HIS 87 N 0.06 -0.81 -0.45 1.61 5.04 -0.56 -4.99 115.29 115.20 1fks s HIS 87 Ca 0.00 1.69 -0.28 0.00 -1.54 0.00 0.00 55.06 54.93 1fks s HIS 87 Cb 0.00 0.46 0.01 0.00 0.04 0.00 0.00 32.58 33.09 1fks s HIS 87 CO 0.00 -0.40 1.46 -1.25 -2.34 0.00 0.00 174.74 172.22 1fks s PRO 88 N 1.18 3.46 0.00 2.88 0.04 -1.26 -2.28 135.00 139.01 1fks s PRO 88 Ca -0.06 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1fks s PRO 88 Cb -0.05 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1fks s PRO 88 CO -0.14 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.60 1fks n GLY 89 N 5.18 3.15 0.53 0.56 0.00 -1.26 -4.92 105.19 108.43 1fks n GLY 89 Ca 0.16 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 1fks n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fks n ILE 90 N 0.00 1.35 -3.91 -0.61 5.41 -1.21 -4.89 119.36 115.50 1fks n ILE 90 Ca 0.00 0.23 -0.32 0.00 1.00 0.00 0.00 62.75 63.66 1fks n ILE 90 Cb 0.00 -1.99 -0.13 0.00 -0.71 0.00 0.00 39.64 36.81 1fks n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1fks s ILE 91 N -2.49 2.77 1.08 1.39 1.01 -0.97 -4.92 121.20 119.07 1fks s ILE 91 Ca -0.16 -2.88 -0.13 0.00 0.00 0.00 0.00 60.65 57.48 1fks s ILE 91 Cb 0.03 -2.92 0.20 0.00 0.01 0.00 0.00 42.46 39.78 1fks s ILE 91 CO 0.24 -0.75 0.86 -2.65 0.00 0.00 0.00 174.94 172.64 1fks n PRO 92 N 3.62 -1.60 -0.57 2.79 -0.02 -1.22 -1.49 135.00 136.51 1fks n PRO 92 Ca 0.05 -0.43 -0.23 0.00 -2.02 0.00 0.00 63.50 60.86 1fks n PRO 92 Cb 0.37 -2.14 0.16 0.00 -0.02 0.00 0.00 33.50 31.87 1fks n PRO 92 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1fks n PRO 93 N -4.08 -2.16 -1.52 0.52 -0.04 -1.26 -3.78 135.00 122.68 1fks n PRO 93 Ca 0.06 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1fks n PRO 93 Cb 0.54 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1fks n PRO 93 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1fks n HIS 94 N -4.46 0.00 -3.68 0.54 8.25 -1.26 -4.82 115.22 109.78 1fks n HIS 94 Ca 0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.20 1fks n HIS 94 Cb 0.45 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.47 1fks n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fks n ALA 95 N -0.35 3.76 -1.04 -1.41 0.00 -1.25 -5.03 120.51 115.18 1fks n ALA 95 Ca 0.00 -4.62 -0.41 0.00 0.00 0.00 0.00 53.44 48.41 1fks n ALA 95 Cb 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 1fks n ALA 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1fks n THR 96 N 1.79 0.00 -3.99 0.00 -1.04 -1.26 -4.92 114.28 104.86 1fks n THR 96 Ca 0.23 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.96 1fks n THR 96 Cb 0.37 -0.10 -0.04 0.00 -1.82 0.00 0.00 70.33 68.73 1fks n THR 96 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1fks s LEU 97 N 0.63 4.15 -0.10 -4.42 1.43 -0.70 -4.10 118.68 115.58 1fks s LEU 97 Ca 0.63 0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.81 1fks s LEU 97 Cb -0.89 -2.75 0.03 0.00 0.03 0.00 0.00 46.19 42.62 1fks s LEU 97 CO 0.43 0.09 -0.02 -0.69 0.23 0.00 0.00 176.35 176.39 1fks s VAL 98 N -1.66 0.58 0.21 -1.59 1.01 -0.76 -1.21 120.40 116.98 1fks s VAL 98 Ca 0.33 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.31 1fks s VAL 98 Cb -0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1fks s VAL 98 CO 0.26 0.23 0.03 -0.36 0.00 0.00 0.00 175.10 175.26 1fks s PHE 99 N 1.88 2.84 -0.48 5.22 0.40 -0.91 -1.07 117.98 125.85 1fks s PHE 99 Ca 0.04 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.25 1fks s PHE 99 Cb -0.13 -1.33 0.13 0.00 0.51 0.00 0.00 43.02 42.21 1fks s PHE 99 CO -0.06 0.55 0.26 -0.51 0.70 0.00 0.00 175.22 176.15 1fks s ASP 100 N -3.27 3.98 0.04 1.36 1.11 -0.79 -0.96 116.67 118.13 1fks s ASP 100 Ca 0.29 -2.84 0.01 0.00 0.18 0.00 0.00 52.55 50.19 1fks s ASP 100 Cb -0.08 -1.33 -0.04 0.00 1.07 0.00 0.00 42.92 42.54 1fks s ASP 100 CO 0.20 -0.24 0.10 -0.69 1.18 0.00 0.00 175.17 175.71 1fks s VAL 101 N 0.00 4.75 -0.28 -1.27 1.01 -0.37 -2.51 120.40 121.73 1fks s VAL 101 Ca 0.18 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1fks s VAL 101 Cb -0.24 -3.23 0.08 0.00 0.00 0.00 0.00 36.38 32.98 1fks s VAL 101 CO -0.00 0.24 0.00 -0.70 0.00 0.00 0.00 175.10 174.63 1fks s GLU 102 N -2.09 1.43 -0.12 2.72 2.12 -0.87 -1.00 118.70 120.88 1fks s GLU 102 Ca 0.27 -1.26 -0.29 0.00 0.36 0.00 0.00 54.97 54.04 1fks s GLU 102 Cb -0.12 -2.65 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 1fks s GLU 102 CO 0.19 -0.77 1.26 -1.17 -0.54 0.00 0.00 175.26 174.23 1fks s LEU 103 N 1.29 4.22 -0.18 2.70 2.96 -0.88 -2.56 118.68 126.23 1fks s LEU 103 Ca 0.02 1.75 -0.15 0.00 -0.22 0.00 0.00 54.13 55.53 1fks s LEU 103 Cb -0.19 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.85 1fks s LEU 103 CO -0.10 -0.71 -0.04 0.18 -1.32 0.00 0.00 176.35 174.36 1fks n LEU 104 N 6.15 1.85 -3.85 -0.68 4.77 0.50 -2.30 117.00 123.44 1fks n LEU 104 Ca 0.13 0.50 -0.04 0.00 -0.03 0.00 0.00 56.01 56.57 1fks n LEU 104 Cb 0.45 -0.90 0.01 0.00 -2.33 0.00 0.00 43.42 40.66 1fks n LEU 104 CO 0.56 -0.06 0.74 -0.75 -1.33 0.00 0.00 177.39 176.55 1fks s LYS 105 N -2.36 1.48 0.22 3.23 2.20 -1.06 -4.31 119.74 119.15 1fks s LYS 105 Ca -0.24 -0.94 0.09 0.00 -0.36 0.00 0.00 55.97 54.52 1fks s LYS 105 Cb 0.05 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.75 1fks s LYS 105 CO 0.41 -0.69 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.18 1fks s LEU 106 N -3.28 3.19 0.00 5.43 1.43 -1.26 -0.39 118.68 123.80 1fks s LEU 106 Ca 0.19 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1fks s LEU 106 Cb -0.03 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1fks s LEU 106 CO 0.06 0.05 0.10 1.21 0.23 0.00 0.00 176.35 178.00