#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fne s LYS 7 N 0.00 2.00 -0.09 1.64 1.02 -1.26 -5.03 119.74 118.02 1fne s LYS 7 Ca 0.00 0.33 -0.22 0.00 0.02 0.00 0.00 55.97 56.10 1fne s LYS 7 Cb 0.00 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1fne s LYS 7 CO 0.00 -1.61 0.65 0.08 -0.92 0.00 0.00 175.35 173.55 1fne s VAL 8 N -3.38 5.07 0.07 3.17 1.01 -1.26 -5.05 120.40 120.03 1fne s VAL 8 Ca 0.61 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 1fne s VAL 8 Cb -0.12 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1fne s VAL 8 CO 0.52 0.25 1.01 -0.63 0.00 0.00 0.00 175.10 176.24 1fne s ILE 1 N 0.92 4.52 0.02 2.22 1.01 -1.26 -4.95 121.20 123.67 1fne s ILE 1 Ca 0.34 1.95 -0.01 0.00 0.00 0.00 0.00 60.65 62.93 1fne s ILE 1 Cb -0.17 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1fne s ILE 1 CO 0.15 0.23 0.18 0.42 0.00 0.00 0.00 174.94 175.92 1fne s THR 2 N 0.47 5.31 0.20 2.92 -4.23 -1.26 -5.11 115.64 113.94 1fne s THR 2 Ca 0.50 -0.28 0.04 0.00 -1.18 0.00 0.00 61.69 60.77 1fne s THR 2 Cb -0.24 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 1fne s THR 2 CO 0.30 0.26 0.30 0.00 -0.54 0.00 0.00 174.62 174.94 1fne s ALA 3 N -1.37 3.89 0.36 3.99 0.00 -1.26 -4.93 121.76 122.44 1fne s ALA 3 Ca 0.29 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.83 1fne s ALA 3 Cb -0.13 -1.68 -0.10 0.00 0.00 0.00 0.00 23.12 21.21 1fne s ALA 3 CO 0.21 0.37 0.98 -0.06 0.00 0.00 0.00 175.76 177.26 1fne s PHE 4 N -1.89 3.49 -0.13 0.00 0.08 -1.26 -4.98 117.98 113.28 1fne s PHE 4 Ca 0.34 1.71 -0.25 0.00 0.12 0.00 0.00 56.93 58.85 1fne s PHE 4 Cb -0.10 -2.99 -0.02 0.00 -0.57 0.00 0.00 43.02 39.34 1fne s PHE 4 CO 0.28 -0.14 0.79 1.21 -0.10 0.00 0.00 175.22 177.27 1fne s ASN 5 N -1.67 6.97 -0.26 1.36 2.47 -1.26 -5.05 114.94 117.50 1fne s ASN 5 Ca 0.54 1.18 -0.18 0.00 0.42 0.00 0.00 52.86 54.83 1fne s ASN 5 Cb -0.18 -2.44 -0.03 0.00 -1.45 0.00 0.00 41.25 37.15 1fne s ASN 5 CO 0.24 -0.31 0.52 -1.81 -3.72 0.00 0.00 177.10 172.01 1fne s ASP 6 N 1.06 6.44 0.52 -4.21 1.01 -1.26 -5.07 116.67 115.16 1fne s ASP 6 Ca 0.38 0.53 -0.14 0.00 0.71 0.00 0.00 52.55 54.03 1fne s ASP 6 Cb -0.17 -2.28 -0.07 0.00 1.01 0.00 0.00 42.92 41.41 1fne s ASP 6 CO 0.15 -0.28 0.96 -0.83 0.21 0.00 0.00 175.17 175.37 1fne s GLY 7 N 1.53 1.94 -0.01 0.21 0.00 -1.26 -5.04 107.32 104.70 1fne s GLY 7 Ca 0.21 0.05 -0.20 0.00 0.00 0.00 0.00 44.72 44.79 1fne s GLY 7 CO 0.09 0.31 0.57 1.08 0.00 0.00 0.00 173.10 175.16 1fne s LEU 8 N -4.31 4.42 0.41 0.66 1.43 -1.26 -5.07 118.68 114.96 1fne s LEU 8 Ca 0.57 1.13 -0.05 0.00 -1.03 0.00 0.00 54.13 54.75 1fne s LEU 8 Cb -0.10 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1fne s LEU 8 CO 0.37 0.12 0.70 -0.54 0.23 0.00 0.00 176.35 177.23 1fne s LYS 9 N -0.26 3.58 0.08 1.70 1.02 -1.26 -5.01 119.74 119.59 1fne s LYS 9 Ca 0.30 0.10 0.06 0.00 0.02 0.00 0.00 55.97 56.45 1fne s LYS 9 Cb -0.18 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 1fne s LYS 9 CO 0.17 -0.04 -0.08 0.20 -0.92 0.00 0.00 175.35 174.68 1fne s GLY 1 N -3.79 1.79 0.00 -3.33 0.00 -1.26 -5.13 107.32 95.60 1fne s GLY 1 Ca 0.46 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1fne s GLY 1 CO 0.39 -1.12 0.00 0.61 0.00 0.00 0.00 173.10 172.98 1fne n GLY 2 N 0.91 2.95 0.00 0.20 0.00 -1.26 -4.84 105.19 103.15 1fne n GLY 2 Ca -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1fne n GLY 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fne n GLY 3 N 5.00 3.10 3.95 -0.02 0.00 -1.26 -5.05 105.19 110.91 1fne n GLY 3 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 1fne n GLY 3 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fne s GLY 4 N -0.65 1.52 -0.11 -0.02 0.00 -1.26 -5.11 107.32 101.68 1fne s GLY 4 Ca 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 44.72 43.54 1fne s GLY 4 CO 0.00 -0.90 0.36 -0.45 0.00 0.00 0.00 173.10 172.11 1fne s SER 5 N -4.17 -0.35 -0.14 1.64 0.15 -1.26 -5.16 113.70 104.41 1fne s SER 5 Ca 0.46 0.62 -0.06 0.00 0.70 0.00 0.00 55.95 57.66 1fne s SER 5 Cb -0.10 0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 1fne s SER 5 CO 0.37 -0.19 0.09 -0.76 1.20 0.00 0.00 173.24 173.95 1fne s LEU 6 N -0.11 4.08 -0.76 3.45 1.43 -1.26 -5.02 118.68 120.50 1fne s LEU 6 Ca -0.03 0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 53.10 1fne s LEU 6 Cb -0.03 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 44.12 1fne s LEU 6 CO 0.01 0.32 2.14 -0.69 0.23 0.00 0.00 176.35 178.37 1fne s VAL 7 N -0.50 3.23 0.11 -1.59 1.01 -1.26 -4.75 120.40 116.65 1fne s VAL 7 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1fne s VAL 7 Cb -0.12 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1fne s VAL 7 CO 0.02 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.21 1fne n GLY 8 N 6.51 -1.66 0.92 4.51 0.00 -1.26 -5.08 105.19 109.14 1fne n GLY 8 Ca 0.38 -1.42 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 1fne n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fne n GLY 9 N -2.26 2.26 1.99 -0.02 0.00 -1.26 -5.02 105.19 100.88 1fne n GLY 9 Ca -0.00 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 1fne n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fne n GLY 10 N -0.14 2.65 3.27 -0.02 0.00 -1.26 -4.94 105.19 104.74 1fne n GLY 10 Ca -0.01 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1fne n GLY 10 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fne n SER 11 N 2.41 -3.37 -3.85 1.61 2.88 -1.26 -4.97 113.62 107.07 1fne n SER 11 Ca 0.31 0.71 -0.30 0.00 -1.33 0.00 0.00 58.87 58.26 1fne n SER 11 Cb 0.74 -0.86 -0.15 0.00 -0.75 0.00 0.00 64.21 63.19 1fne n SER 11 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1fne s GLY 12 N -1.00 1.53 0.00 0.46 0.00 -1.26 -5.10 107.32 101.95 1fne s GLY 12 Ca 0.58 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1fne s GLY 12 CO 0.65 1.32 0.00 0.61 0.00 0.00 0.00 173.10 175.68 1fne n GLY 13 N 4.40 -2.59 2.01 0.20 0.00 -1.26 -4.74 105.19 103.20 1fne n GLY 13 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1fne n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fne n GLY 14 N 0.78 0.51 2.17 -0.02 0.00 -1.26 -3.65 105.19 103.72 1fne n GLY 14 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1fne n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fne n GLY 15 N -2.98 1.27 3.73 -0.02 0.00 -1.26 -4.92 105.19 101.00 1fne n GLY 15 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1fne n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fne s SER 16 N -2.25 3.86 0.13 1.61 0.01 -1.24 -4.94 113.70 110.88 1fne s SER 16 Ca 0.00 1.89 -0.31 0.00 1.31 0.00 0.00 55.95 58.83 1fne s SER 16 Cb 0.00 -2.49 -0.09 0.00 0.21 0.00 0.00 66.02 63.65 1fne s SER 16 CO 0.00 -2.45 1.49 -0.60 0.41 0.00 0.00 173.24 172.09 1fne s ARG 4 N -4.83 4.26 0.45 12.44 3.52 -1.26 -4.95 118.95 128.58 1fne s ARG 4 Ca 0.63 2.23 -0.24 0.00 -0.13 0.00 0.00 55.73 58.22 1fne s ARG 4 Cb -0.19 -3.23 -0.08 0.00 -1.56 0.00 0.00 34.95 29.90 1fne s ARG 4 CO 0.57 -0.54 1.22 -2.14 -0.81 0.00 0.00 175.30 173.60 1fne s PRO 5 N 1.23 3.78 0.04 5.12 0.02 -1.26 -5.04 135.00 138.89 1fne s PRO 5 Ca 0.68 1.94 -0.03 0.00 0.02 0.00 0.00 61.00 63.61 1fne s PRO 5 Cb -0.40 -2.52 -0.02 0.00 0.02 0.00 0.00 34.50 31.57 1fne s PRO 5 CO 0.31 -0.58 0.02 1.67 -0.33 0.00 0.00 177.00 178.09 1fne s TRP 6 N -1.42 0.34 -0.06 6.54 1.48 -1.26 -5.15 118.94 119.42 1fne s TRP 6 Ca 0.62 -0.74 -0.02 0.00 -1.06 0.00 0.00 56.10 54.90 1fne s TRP 6 Cb -0.33 -0.25 0.03 0.00 -1.16 0.00 0.00 33.47 31.76 1fne s TRP 6 CO 0.41 -0.34 0.05 -0.06 -4.06 0.00 0.00 176.95 172.94 1fne s PHE 7 N -2.94 0.23 -0.06 1.66 0.08 -1.26 -4.98 117.98 110.71 1fne s PHE 7 Ca -0.02 0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.16 1fne s PHE 7 Cb 0.01 -0.58 0.01 0.00 -0.57 0.00 0.00 43.02 41.89 1fne s PHE 7 CO -0.06 -0.25 -0.13 -1.17 -0.10 0.00 0.00 175.22 173.51 1fne s LEU 8 N 2.12 1.69 -0.29 -0.37 2.96 -1.26 -4.98 118.68 118.55 1fne s LEU 8 Ca 0.05 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1fne s LEU 8 Cb -0.12 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.74 1fne s LEU 8 CO -0.04 0.05 0.04 -0.70 -1.32 0.00 0.00 176.35 174.38 1fne s GLU 9 N 0.58 2.96 -0.05 1.98 2.56 -1.26 -1.17 118.70 124.29 1fne s GLU 9 Ca -0.13 -0.93 0.01 0.00 0.00 0.00 0.00 54.97 53.91 1fne s GLU 9 Cb -0.15 -3.27 0.02 0.00 2.00 0.00 0.00 34.13 32.73 1fne s GLU 9 CO 0.04 -0.46 -0.05 -0.47 -0.56 0.00 0.00 175.26 173.76 1fne s TYR 10 N 1.43 0.84 -0.04 5.30 5.04 -0.61 -5.02 117.35 124.30 1fne s TYR 10 Ca 0.01 -0.26 0.03 0.00 -2.44 0.00 0.00 57.07 54.42 1fne s TYR 10 Cb -0.17 -0.74 0.00 0.00 0.35 0.00 0.00 41.96 41.39 1fne s TYR 10 CO 0.00 -0.23 -0.13 0.00 -1.34 0.00 0.00 175.55 173.85 1fne s LYS 12 N 0.18 3.00 -0.35 0.00 1.02 -0.15 -4.99 119.74 118.44 1fne s LYS 12 Ca -0.05 -0.84 -0.06 0.00 0.02 0.00 0.00 55.97 55.04 1fne s LYS 12 Cb -0.11 -2.52 0.05 0.00 -0.52 0.00 0.00 37.83 34.73 1fne s LYS 12 CO 0.02 -0.14 0.13 -1.12 -0.92 0.00 0.00 175.35 173.31 1fne s SER 13 N 1.13 5.35 -0.21 2.83 0.01 -1.26 -0.19 113.70 121.36 1fne s SER 13 Ca 0.01 -1.24 -0.07 0.00 1.31 0.00 0.00 55.95 55.95 1fne s SER 13 Cb -0.14 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 1fne s SER 13 CO -0.09 -0.36 0.07 -1.61 0.41 0.00 0.00 173.24 171.65 1fne s GLU 14 N 1.39 3.87 -0.27 12.44 2.02 0.10 -4.96 118.70 133.30 1fne s GLU 14 Ca -0.01 -0.39 -0.10 0.00 0.02 0.00 0.00 54.97 54.50 1fne s GLU 14 Cb -0.20 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 1fne s GLU 14 CO 0.02 0.12 0.14 0.00 0.02 0.00 0.00 175.26 175.56 1fne s HIS 16 N 1.65 3.17 -0.51 0.00 3.76 0.11 -4.98 115.29 118.49 1fne s HIS 16 Ca 0.07 -0.93 -0.13 0.00 -0.15 0.00 0.00 55.06 53.91 1fne s HIS 16 Cb -0.16 -2.29 0.12 0.00 1.11 0.00 0.00 32.58 31.37 1fne s HIS 16 CO 0.08 -0.57 0.43 -0.06 -0.85 0.00 0.00 174.74 173.77 1fne s PHE 17 N 1.52 3.32 0.21 1.40 0.40 -1.26 -1.24 117.98 122.33 1fne s PHE 17 Ca 0.03 -1.52 0.25 0.00 -0.60 0.00 0.00 56.93 55.09 1fne s PHE 17 Cb -0.17 -3.63 1.06 0.00 0.51 0.00 0.00 43.02 40.79 1fne s PHE 17 CO 0.03 -1.00 1.89 1.88 0.70 0.00 0.00 175.22 178.73 1fne h TYR 18 N 8.70 0.00 -0.50 0.36 0.05 -1.71 -3.39 116.97 120.47 1fne h TYR 18 Ca -0.26 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.47 1fne h TYR 18 Cb 1.09 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.67 1fne h TYR 18 CO 0.69 0.20 -0.27 1.21 -1.05 0.00 0.00 178.16 178.94 1fne s ASN 19 N -6.18 -0.73 0.82 3.88 2.47 -1.24 -4.98 114.94 108.98 1fne s ASN 19 Ca -0.00 -0.86 0.00 0.00 0.42 0.00 0.00 52.86 52.42 1fne s ASN 19 Cb 0.11 0.96 0.00 0.00 -1.45 0.00 0.00 41.25 40.87 1fne s ASN 19 CO 0.62 -0.03 0.00 0.61 -3.72 0.00 0.00 177.10 174.58 1fne n GLY 20 N 2.77 1.21 0.00 1.21 0.00 -1.26 -1.72 105.19 107.40 1fne n GLY 20 Ca 0.14 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.72 1fne n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fne n THR 21 N 0.00 0.00 -0.05 2.61 -2.24 -1.26 -3.80 114.28 109.55 1fne n THR 21 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1fne n THR 21 Cb 0.00 -0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 67.71 1fne n THR 21 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1fne h GLN 22 N 0.00 0.25 -3.75 -0.78 1.08 -1.77 -3.41 115.11 106.73 1fne h GLN 22 Ca 0.00 -0.07 -0.50 0.00 -1.45 0.00 0.00 58.65 56.62 1fne h GLN 22 Cb 0.00 -0.03 -0.39 0.00 -0.05 0.00 0.00 27.48 27.02 1fne h GLN 22 CO 0.00 0.46 -0.77 0.50 -0.95 0.00 0.00 178.83 178.07 1fne s ARG 23 N -5.06 0.83 -0.02 1.46 3.52 -1.24 -5.02 118.95 113.43 1fne s ARG 23 Ca -0.14 -0.28 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 1fne s ARG 23 Cb 0.06 -1.72 -0.00 0.00 -1.56 0.00 0.00 34.95 31.72 1fne s ARG 23 CO 0.71 -0.48 -0.11 0.08 -0.81 0.00 0.00 175.30 174.69 1fne s VAL 24 N 1.84 0.91 -0.06 7.11 1.01 -1.26 -1.62 120.40 128.33 1fne s VAL 24 Ca 0.01 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1fne s VAL 24 Cb -0.15 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 1fne s VAL 24 CO -0.07 0.27 -0.19 -0.60 0.00 0.00 0.00 175.10 174.51 1fne s ARG 25 N -0.03 2.16 -0.17 2.72 3.52 -0.37 -4.97 118.95 121.81 1fne s ARG 25 Ca 0.00 -0.67 -0.06 0.00 -0.13 0.00 0.00 55.73 54.87 1fne s ARG 25 Cb -0.07 -1.77 -0.04 0.00 -1.56 0.00 0.00 34.95 31.51 1fne s ARG 25 CO 0.00 0.20 0.05 -1.17 -0.81 0.00 0.00 175.30 173.57 1fne s LEU 26 N 0.21 3.75 -0.15 -0.88 2.96 -1.26 0.04 118.68 123.34 1fne s LEU 26 Ca -0.09 0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1fne s LEU 26 Cb -0.14 -1.93 0.05 0.00 0.50 0.00 0.00 46.19 44.67 1fne s LEU 26 CO 0.04 0.20 0.03 -0.22 -1.32 0.00 0.00 176.35 175.08 1fne s LEU 27 N 0.18 0.94 -0.18 -0.68 2.96 0.63 -1.15 118.68 121.38 1fne s LEU 27 Ca 0.03 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 1fne s LEU 27 Cb -0.12 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 1fne s LEU 27 CO 0.01 -0.27 0.08 -0.69 -1.32 0.00 0.00 176.35 174.16 1fne s VAL 28 N 1.91 4.97 -0.10 1.68 1.01 0.48 0.01 120.40 130.36 1fne s VAL 28 Ca 0.01 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1fne s VAL 28 Cb -0.15 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1fne s VAL 28 CO -0.07 0.47 -0.15 -0.13 0.00 0.00 0.00 175.10 175.22 1fne s ARG 29 N 0.24 2.19 -0.13 2.72 0.52 0.73 -0.52 118.95 124.71 1fne s ARG 29 Ca 0.05 -0.55 -0.04 0.00 -0.52 0.00 0.00 55.73 54.67 1fne s ARG 29 Cb -0.12 -1.85 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 1fne s ARG 29 CO -0.00 -0.04 0.01 0.71 0.02 0.00 0.00 175.30 175.99 1fne s TYR 30 N 0.93 3.16 -0.01 -0.53 1.51 0.24 -0.98 117.35 121.67 1fne s TYR 30 Ca -0.08 0.04 0.06 0.00 -1.01 0.00 0.00 57.07 56.08 1fne s TYR 30 Cb -0.15 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1fne s TYR 30 CO -0.01 0.27 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.45 1fne s PHE 31 N -0.25 1.68 -0.22 2.71 0.40 0.13 -0.76 117.98 121.66 1fne s PHE 31 Ca 0.06 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 1fne s PHE 31 Cb -0.12 -1.07 0.04 0.00 0.51 0.00 0.00 43.02 42.38 1fne s PHE 31 CO 0.02 -0.01 -0.13 -0.47 0.70 0.00 0.00 175.22 175.33 1fne s TYR 32 N -0.49 2.83 0.00 0.36 5.04 -0.46 -1.57 117.35 123.07 1fne s TYR 32 Ca 0.07 -1.90 0.00 0.00 -2.44 0.00 0.00 57.07 52.80 1fne s TYR 32 Cb -0.07 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.42 1fne s TYR 32 CO -0.00 -0.81 0.00 0.09 -1.34 0.00 0.00 175.55 173.48 1fne n ASN 33 N 4.57 0.00 -0.55 4.32 4.13 -0.32 -1.85 115.26 125.56 1fne n ASN 33 Ca -0.16 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.23 1fne n ASN 33 Cb 0.45 0.00 0.31 0.00 -1.54 0.00 0.00 39.78 39.00 1fne n ASN 33 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1fne n LEU 34 N 0.00 1.85 -4.38 3.41 4.77 -1.26 -4.92 117.00 116.46 1fne n LEU 34 Ca 0.00 -0.61 -0.33 0.00 -0.03 0.00 0.00 56.01 55.04 1fne n LEU 34 Cb 0.00 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 40.92 1fne n LEU 34 CO 0.00 0.32 -0.44 -1.61 -1.33 0.00 0.00 177.39 174.33 1fne s GLU 35 N -2.19 3.41 -0.06 3.23 2.02 -0.77 -5.08 118.70 119.26 1fne s GLU 35 Ca 0.29 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 1fne s GLU 35 Cb 0.20 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.73 1fne s GLU 35 CO 0.40 0.19 1.20 -2.00 0.02 0.00 0.00 175.26 175.08 1fne s GLU 36 N 0.41 4.35 0.00 1.61 2.12 -1.26 -1.35 118.70 124.58 1fne s GLU 36 Ca -0.09 1.67 0.00 0.00 0.36 0.00 0.00 54.97 56.90 1fne s GLU 36 Cb -0.16 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1fne s GLU 36 CO 0.05 -0.45 0.00 0.27 -0.54 0.00 0.00 175.26 174.59 1fne n ASN 37 N 5.22 1.10 -3.63 -1.70 0.23 0.06 -4.31 115.26 112.24 1fne n ASN 37 Ca 0.11 -0.37 -0.15 0.00 -0.53 0.00 0.00 54.58 53.64 1fne n ASN 37 Cb 0.46 0.97 -0.07 0.00 -2.08 0.00 0.00 39.78 39.06 1fne n ASN 37 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1fne s LEU 38 N -2.15 0.07 0.10 -4.53 2.96 -1.22 -0.30 118.68 113.61 1fne s LEU 38 Ca 0.00 0.32 -0.16 0.00 -0.22 0.00 0.00 54.13 54.07 1fne s LEU 38 Cb 0.00 1.95 0.03 0.00 0.50 0.00 0.00 46.19 48.67 1fne s LEU 38 CO 0.00 -0.59 0.38 0.00 -1.32 0.00 0.00 176.35 174.82 1fne s ARG 39 N -1.65 1.00 -0.20 1.98 1.70 -0.91 -0.59 118.95 120.28 1fne s ARG 39 Ca -0.10 -0.66 -0.01 0.00 -0.47 0.00 0.00 55.73 54.49 1fne s ARG 39 Cb -0.02 0.44 0.05 0.00 -0.57 0.00 0.00 34.95 34.86 1fne s ARG 39 CO 0.04 -0.37 -0.01 0.12 -1.08 0.00 0.00 175.30 174.00 1fne s PHE 40 N -3.49 1.56 -0.27 5.89 2.19 0.33 -1.22 117.98 122.97 1fne s PHE 40 Ca 0.01 -1.15 -0.08 0.00 0.33 0.00 0.00 56.93 56.05 1fne s PHE 40 Cb 0.02 -1.24 -0.02 0.00 -1.31 0.00 0.00 43.02 40.46 1fne s PHE 40 CO -0.10 -0.65 0.09 0.34 1.83 0.00 0.00 175.22 176.73 1fne s ASP 41 N 1.68 5.20 0.58 6.13 -1.08 -1.26 -0.38 116.67 127.53 1fne s ASP 41 Ca -0.02 -0.34 0.38 0.00 -0.52 0.00 0.00 52.55 52.05 1fne s ASP 41 Cb -0.17 -1.93 2.05 0.00 -1.46 0.00 0.00 42.92 41.41 1fne s ASP 41 CO -0.07 -0.09 2.15 0.77 0.52 0.00 0.00 175.17 178.45 1fne h SER 42 N 8.26 0.00 1.19 -0.34 4.64 -1.50 0.42 113.55 126.21 1fne h SER 42 Ca -0.36 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.93 1fne h SER 42 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1fne h SER 42 CO 0.59 0.00 -0.13 0.44 -0.87 0.00 0.00 176.83 176.86 1fne h ASP 43 N 0.00 0.00 0.04 4.97 3.32 -1.94 -3.20 116.42 119.61 1fne h ASP 43 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1fne h ASP 43 Cb 0.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1fne h ASP 43 CO 0.00 0.13 -1.85 0.52 -1.72 0.00 0.00 179.24 176.31 1fne n VAL 44 N -3.22 1.60 -0.16 -1.35 0.31 0.13 -5.01 118.33 110.63 1fne n VAL 44 Ca 0.01 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1fne n VAL 44 Cb 0.42 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1fne n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fne n GLY 45 N 1.65 0.99 3.19 2.92 0.00 -0.10 -5.03 105.19 108.81 1fne n GLY 45 Ca -0.38 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 1fne n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fne s GLU 46 N -0.61 1.07 0.44 1.61 2.02 -1.26 -4.89 118.70 117.08 1fne s GLU 46 Ca 0.00 -1.54 -0.21 0.00 0.02 0.00 0.00 54.97 53.24 1fne s GLU 46 Cb 0.00 0.18 -0.10 0.00 0.10 0.00 0.00 34.13 34.30 1fne s GLU 46 CO 0.00 -0.30 0.97 -0.06 0.02 0.00 0.00 175.26 175.90 1fne s PHE 47 N -4.04 3.25 -0.02 1.61 0.40 -1.26 -4.21 117.98 113.72 1fne s PHE 47 Ca 0.30 1.61 -0.00 0.00 -0.60 0.00 0.00 56.93 58.24 1fne s PHE 47 Cb 0.07 -2.91 0.03 0.00 0.51 0.00 0.00 43.02 40.72 1fne s PHE 47 CO 0.06 -0.28 0.03 1.03 0.70 0.00 0.00 175.22 176.76 1fne s ARG 48 N -3.11 -0.04 0.31 0.44 1.81 -0.36 -4.90 118.95 113.11 1fne s ARG 48 Ca 0.62 0.20 -0.29 0.00 -1.72 0.00 0.00 55.73 54.54 1fne s ARG 48 Cb -0.12 -0.27 -0.10 0.00 -0.45 0.00 0.00 34.95 34.02 1fne s ARG 48 CO 0.16 -0.18 1.28 0.00 -0.68 0.00 0.00 175.30 175.88 1fne s ALA 49 N 1.13 3.49 -0.21 2.13 0.00 -1.26 -2.15 121.76 124.89 1fne s ALA 49 Ca -0.08 1.20 0.10 0.00 0.00 0.00 0.00 51.96 53.17 1fne s ALA 49 Cb -0.13 -3.46 -0.22 0.00 0.00 0.00 0.00 23.12 19.32 1fne s ALA 49 CO -0.03 -0.56 -0.01 0.28 0.00 0.00 0.00 175.76 175.43 1fne n VAL 50 N 1.06 1.46 -4.32 0.00 0.31 0.59 -4.92 118.33 112.52 1fne n VAL 50 Ca 0.01 -0.72 -0.17 0.00 -0.01 0.00 0.00 64.34 63.44 1fne n VAL 50 Cb 0.42 -0.97 -0.10 0.00 -0.91 0.00 0.00 33.84 32.28 1fne n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1fne s THR 51 N -2.51 0.46 0.39 2.52 -4.23 -1.09 -4.96 115.64 106.21 1fne s THR 51 Ca -0.21 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.39 1fne s THR 51 Cb 0.07 -2.59 0.17 0.00 1.34 0.00 0.00 72.50 71.49 1fne s THR 51 CO 0.73 0.00 1.93 -0.33 -0.54 0.00 0.00 174.62 176.41 1fne h GLU 52 N 2.34 0.25 0.00 3.99 4.39 -1.94 -2.46 114.58 121.14 1fne h GLU 52 Ca -0.37 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 1fne h GLU 52 Cb 1.25 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1fne h GLU 52 CO 0.58 0.37 -0.01 1.25 -1.16 0.00 0.00 179.01 180.03 1fne h LEU 53 N 0.24 0.00 -0.57 1.33 5.85 -1.97 -1.78 115.31 118.41 1fne h LEU 53 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1fne h LEU 53 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1fne h LEU 53 CO 0.02 0.01 -0.65 0.61 -0.34 0.00 0.00 178.44 178.09 1fne n GLY 54 N -0.98 -0.43 0.33 3.75 0.00 -0.93 -4.51 105.19 102.43 1fne n GLY 54 Ca -0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 1fne n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1fne h ARG 55 N 1.40 1.12 -0.92 1.61 2.43 -1.34 -2.56 114.38 116.11 1fne h ARG 55 Ca 0.00 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1fne h ARG 55 Cb 0.64 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 1fne h ARG 55 CO 0.00 0.74 0.61 -1.35 -1.51 0.00 0.00 179.97 178.46 1fne h PRO 56 N 1.15 1.15 -0.47 0.20 0.11 -1.79 -1.46 132.00 130.89 1fne h PRO 56 Ca 0.32 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 66.22 1fne h PRO 56 Cb -0.11 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.73 1fne h PRO 56 CO -0.08 0.76 -0.25 -0.44 -0.21 0.00 0.00 178.00 177.78 1fne h ASP 57 N 1.18 1.03 -0.15 -2.05 3.32 -1.78 -0.61 116.42 117.36 1fne h ASP 57 Ca 0.36 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1fne h ASP 57 Cb -0.02 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1fne h ASP 57 CO -0.10 1.22 0.09 0.00 -1.72 0.00 0.00 179.24 178.72 1fne h ALA 58 N 0.85 0.19 -0.67 3.45 0.00 -1.08 0.17 119.26 122.16 1fne h ALA 58 Ca 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1fne h ALA 58 Cb 0.84 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1fne h ALA 58 CO 0.07 -0.30 0.23 0.93 0.00 0.00 0.00 179.25 180.19 1fne h GLU 59 N 0.16 1.03 0.47 0.00 5.08 -1.19 0.19 114.58 120.33 1fne h GLU 59 Ca 0.05 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1fne h GLU 59 Cb 0.03 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1fne h GLU 59 CO -0.01 0.88 -0.23 -0.97 -1.00 0.00 0.00 179.01 177.68 1fne h ASN 60 N 0.97 -0.54 -0.15 1.42 -1.24 -0.88 -3.15 115.58 112.02 1fne h ASN 60 Ca 0.22 -0.08 -0.06 0.00 0.71 0.00 0.00 56.30 57.09 1fne h ASN 60 Cb 0.26 0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 1fne h ASN 60 CO -0.01 -0.17 -0.08 -0.50 -1.29 0.00 0.00 177.43 175.38 1fne h TRP 61 N -0.96 0.50 0.00 0.67 6.55 -0.67 -2.10 115.95 119.93 1fne h TRP 61 Ca -0.06 -0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.71 1fne h TRP 61 Cb 0.59 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.75 1fne h TRP 61 CO 0.01 0.55 0.00 0.09 -1.05 0.00 0.00 178.44 178.04 1fne n ASN 62 N -4.24 0.13 -0.87 -3.49 3.02 0.05 -1.78 115.26 108.09 1fne n ASN 62 Ca 0.01 0.53 0.08 0.00 -0.03 0.00 0.00 54.58 55.17 1fne n ASN 62 Cb 0.29 -0.56 0.22 0.00 -0.61 0.00 0.00 39.78 39.12 1fne n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1fne n SER 63 N -1.65 2.52 -3.98 6.41 3.41 -0.79 -4.58 113.62 114.96 1fne n SER 63 Ca 0.03 -1.98 -0.31 0.00 -0.26 0.00 0.00 58.87 56.35 1fne n SER 63 Cb 0.18 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 1fne n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1fne s GLN 64 N -1.39 2.44 0.25 4.33 -0.21 -0.73 -4.98 119.66 119.36 1fne s GLN 64 Ca 0.32 -2.97 -0.03 0.00 0.02 0.00 0.00 55.36 52.70 1fne s GLN 64 Cb 0.17 -3.52 0.48 0.00 1.00 0.00 0.00 33.01 31.14 1fne s GLN 64 CO 0.22 -1.21 1.77 -1.00 -2.12 0.00 0.00 175.29 172.95 1fne h PRO 65 N 6.11 0.61 -0.48 2.91 0.13 -1.83 -1.07 132.00 138.38 1fne h PRO 65 Ca 0.05 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1fne h PRO 65 Cb 0.84 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 1fne h PRO 65 CO 0.73 0.41 -0.03 0.93 -0.23 0.00 0.00 178.00 179.80 1fne h GLU 66 N 0.63 0.81 -0.45 0.86 5.08 -1.96 -0.77 114.58 118.79 1fne h GLU 66 Ca 0.43 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 1fne h GLU 66 Cb 0.57 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1fne h GLU 66 CO -0.34 0.83 -0.26 0.35 -1.00 0.00 0.00 179.01 178.59 1fne h PHE 67 N 0.75 1.13 -0.75 4.33 3.57 -1.75 -2.15 116.94 122.06 1fne h PHE 67 Ca 0.14 -0.29 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 1fne h PHE 67 Cb 0.49 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1fne h PHE 67 CO 0.03 1.12 0.34 -0.07 -2.23 0.00 0.00 178.31 177.49 1fne h LEU 68 N 0.81 0.99 -0.92 0.59 3.38 -0.88 -1.37 115.31 117.92 1fne h LEU 68 Ca 0.09 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1fne h LEU 68 Cb 0.85 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1fne h LEU 68 CO 0.07 0.87 0.34 -0.33 0.09 0.00 0.00 178.44 179.48 1fne h GLU 69 N 1.06 1.11 0.02 1.13 4.39 -0.98 -1.14 114.58 120.18 1fne h GLU 69 Ca 0.25 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1fne h GLU 69 Cb 0.15 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1fne h GLU 69 CO -0.03 0.88 -0.01 0.37 -1.16 0.00 0.00 179.01 179.06 1fne h GLN 70 N 1.10 -0.03 -0.61 2.33 4.15 -0.89 -1.71 115.11 119.45 1fne h GLN 70 Ca 0.26 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.70 1fne h GLN 70 Cb 0.16 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1fne h GLN 70 CO -0.03 0.11 0.39 0.87 -1.93 0.00 0.00 178.83 178.24 1fne h LYS 71 N -0.17 0.77 -0.49 1.69 1.79 -0.97 -1.40 116.57 117.81 1fne h LYS 71 Ca -0.00 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1fne h LYS 71 Cb 0.15 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1fne h LYS 71 CO 0.01 0.51 0.25 0.00 -1.08 0.00 0.00 179.45 179.14 1fne h ARG 72 N 0.80 0.67 0.00 3.15 3.08 -1.16 -1.96 114.38 118.95 1fne h ARG 72 Ca 0.23 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1fne h ARG 72 Cb -0.06 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1fne h ARG 72 CO -0.06 0.51 0.00 0.00 -1.07 0.00 0.00 179.97 179.34 1fne n ALA 73 N -2.46 1.83 0.39 0.04 0.00 -0.57 -2.97 120.51 116.77 1fne n ALA 73 Ca 0.04 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1fne n ALA 73 Cb 0.11 -1.41 0.47 0.00 0.00 0.00 0.00 19.45 18.62 1fne n ALA 73 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1fne n GLU 74 N -2.22 0.16 0.25 0.00 1.02 -0.74 -0.83 120.64 118.29 1fne n GLU 74 Ca 0.03 0.42 0.09 0.00 -0.02 0.00 0.00 57.16 57.68 1fne n GLU 74 Cb 0.28 -1.83 0.65 0.00 -0.02 0.00 0.00 31.44 30.53 1fne n GLU 74 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1fne h VAL 75 N 0.00 0.91 0.00 2.62 3.04 -1.70 0.21 116.25 121.33 1fne h VAL 75 Ca 0.00 -0.29 -0.38 0.00 -1.01 0.00 0.00 66.70 65.02 1fne h VAL 75 Cb 0.32 1.16 -0.06 0.00 -2.01 0.00 0.00 31.29 30.70 1fne h VAL 75 CO 0.00 0.08 -2.34 0.47 -1.01 0.00 0.00 177.57 174.77 1fne n ASP 76 N -4.23 1.94 0.25 3.17 8.00 -0.12 -1.21 116.55 124.35 1fne n ASP 76 Ca -0.03 0.12 0.14 0.00 0.71 0.00 0.00 54.79 55.73 1fne n ASP 76 Cb 0.16 -0.56 0.49 0.00 -0.02 0.00 0.00 41.12 41.18 1fne n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1fne h THR 77 N -0.50 0.09 0.00 -3.53 1.35 -1.01 -1.52 112.91 107.79 1fne h THR 77 Ca -0.57 -0.78 -0.01 0.00 -0.55 0.00 0.00 66.41 64.50 1fne h THR 77 Cb 1.65 1.71 -0.00 0.00 -1.73 0.00 0.00 68.15 69.78 1fne h THR 77 CO -0.25 0.04 -0.43 0.52 -0.25 0.00 0.00 175.52 175.15 1fne n VAL 78 N -3.13 0.81 0.25 6.82 0.31 -0.20 -4.54 118.33 118.64 1fne n VAL 78 Ca 0.02 0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 64.49 1fne n VAL 78 Cb 0.40 -1.59 -0.05 0.00 -0.91 0.00 0.00 33.84 31.70 1fne n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fne h ARG 80 N -0.74 0.76 -0.13 0.00 3.08 -1.24 -1.07 114.38 115.05 1fne h ARG 80 Ca -0.07 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 59.92 1fne h ARG 80 Cb 0.49 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 1fne h ARG 80 CO 0.11 0.63 -0.27 1.25 -1.07 0.00 0.00 179.97 180.62 1fne h HIS 81 N 0.71 -0.72 -0.22 3.04 2.76 -1.33 -2.20 115.15 117.21 1fne h HIS 81 Ca 0.18 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.27 1fne h HIS 81 Cb 0.11 0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1fne h HIS 81 CO -0.01 -0.35 -0.35 -0.91 -1.30 0.00 0.00 177.93 175.01 1fne h ASN 82 N -0.33 0.48 -0.88 3.26 2.35 -0.90 -2.98 115.58 116.58 1fne h ASN 82 Ca 0.10 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1fne h ASN 82 Cb 0.49 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 1fne h ASN 82 CO -0.32 0.80 0.55 0.22 -1.65 0.00 0.00 177.43 177.03 1fne h TYR 83 N 0.39 1.15 -0.17 1.19 3.20 -0.86 -0.22 116.97 121.65 1fne h TYR 83 Ca 0.04 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1fne h TYR 83 Cb 0.81 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1fne h TYR 83 CO 0.03 0.75 -0.04 0.93 -1.64 0.00 0.00 178.16 178.19 1fne h GLU 84 N 1.21 0.25 0.02 1.82 5.08 -1.25 0.48 114.58 122.20 1fne h GLU 84 Ca 0.32 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1fne h GLU 84 Cb -0.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1fne h GLU 84 CO -0.06 0.31 -0.01 0.82 -1.00 0.00 0.00 179.01 179.07 1fne h ILE 85 N 0.25 1.44 0.00 3.13 2.04 -1.20 -3.28 117.51 119.89 1fne h ILE 85 Ca 0.06 -1.47 -0.03 0.00 1.00 0.00 0.00 64.86 64.42 1fne h ILE 85 Cb 0.23 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1fne h ILE 85 CO 0.01 0.37 -0.14 -0.26 0.00 0.00 0.00 178.15 178.13 1fne h PHE 86 N -0.67 0.00 0.00 1.37 0.04 -0.71 -2.67 116.94 114.30 1fne h PHE 86 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1fne h PHE 86 Cb 0.63 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 1fne h PHE 86 CO 0.14 0.14 -0.00 0.22 -0.60 0.00 0.00 178.31 178.22 1fne h ASP 87 N 0.00 0.00 1.95 2.17 3.58 -0.10 0.24 116.42 124.26 1fne h ASP 87 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1fne h ASP 87 Cb 0.54 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 1fne h ASP 87 CO 0.02 0.00 -0.05 0.78 -2.88 0.00 0.00 179.24 177.11 1fne h ASN 88 N 0.00 0.00 0.00 2.28 2.35 -1.61 -3.39 115.58 115.21 1fne h ASN 88 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1fne h ASN 88 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1fne h ASN 88 CO 0.00 0.01 0.00 2.22 -1.65 0.00 0.00 177.43 178.01 1fne n PHE 89 N -3.08 0.00 -0.11 1.19 -1.74 -0.86 -4.88 117.46 107.98 1fne n PHE 89 Ca 0.04 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.72 1fne n PHE 89 Cb 0.53 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.44 1fne n PHE 89 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1fne n LEU 90 N -0.11 1.89 -0.35 5.98 4.77 0.77 -3.70 117.00 126.25 1fne n LEU 90 Ca 0.00 0.42 0.09 0.00 -0.03 0.00 0.00 56.01 56.49 1fne n LEU 90 Cb 0.00 -0.90 0.27 0.00 -2.33 0.00 0.00 43.42 40.46 1fne n LEU 90 CO 0.00 0.24 1.23 0.58 -1.33 0.00 0.00 177.39 178.10 1fne h VAL 91 N -1.00 0.86 -0.00 4.08 2.07 -1.69 -2.18 116.25 118.40 1fne h VAL 91 Ca -0.39 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1fne h VAL 91 Cb 1.28 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1fne h VAL 91 CO -0.23 0.17 -0.25 -0.81 0.02 0.00 0.00 177.57 176.46 1fne n PRO 92 N -4.64 0.40 -1.59 1.57 -0.04 -1.26 -4.95 135.00 124.49 1fne n PRO 92 Ca 0.20 -0.18 -0.48 0.00 -0.04 0.00 0.00 63.50 62.99 1fne n PRO 92 Cb 0.42 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 1fne n PRO 92 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1fne n ARG 93 N -1.14 1.26 -3.58 0.54 0.63 -0.82 -4.98 116.66 108.56 1fne n ARG 93 Ca 0.10 0.45 -0.07 0.00 -0.92 0.00 0.00 57.85 57.41 1fne n ARG 93 Cb 0.32 -1.96 -0.08 0.00 0.45 0.00 0.00 32.46 31.19 1fne n ARG 93 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1fne s ARG 94 N -0.42 0.38 -0.15 -0.14 0.52 -1.26 -4.27 118.95 113.60 1fne s ARG 94 Ca 0.72 1.02 0.01 0.00 -0.52 0.00 0.00 55.73 56.96 1fne s ARG 94 Cb -0.82 0.31 0.00 0.00 0.52 0.00 0.00 34.95 34.95 1fne s ARG 94 CO 0.52 -0.32 -0.16 0.08 0.02 0.00 0.00 175.30 175.44 1fne s VAL 95 N 2.66 2.58 0.27 3.52 1.01 -0.17 -4.96 120.40 125.30 1fne s VAL 95 Ca 0.01 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 1fne s VAL 95 Cb -0.13 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 34.08 1fne s VAL 95 CO -0.15 0.52 1.27 -1.61 0.00 0.00 0.00 175.10 175.14 1fne s GLU 96 N 0.82 4.42 0.41 2.72 2.02 -1.26 -2.40 118.70 125.43 1fne s GLU 96 Ca -0.05 2.08 -0.23 0.00 0.02 0.00 0.00 54.97 56.79 1fne s GLU 96 Cb -0.15 -3.14 -0.10 0.00 0.10 0.00 0.00 34.13 30.83 1fne s GLU 96 CO -0.00 -0.14 0.97 -1.25 0.02 0.00 0.00 175.26 174.86 1fne s PRO 97 N -1.06 4.26 -0.18 0.39 0.04 -1.26 -4.53 135.00 132.66 1fne s PRO 97 Ca 0.51 1.25 -0.09 0.00 0.04 0.00 0.00 61.00 62.71 1fne s PRO 97 Cb -0.37 -2.37 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 1fne s PRO 97 CO 0.45 -0.01 0.13 0.99 0.04 0.00 0.00 177.00 178.59 1fne s THR 98 N -1.95 5.39 -0.10 1.26 2.01 -0.21 -4.92 115.64 117.13 1fne s THR 98 Ca 0.59 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.80 1fne s THR 98 Cb -0.14 -3.44 0.01 0.00 0.01 0.00 0.00 72.50 68.94 1fne s THR 98 CO 0.18 0.48 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.70 1fne s VAL 99 N 0.06 1.85 -0.02 3.82 1.01 -1.26 -1.08 120.40 124.78 1fne s VAL 99 Ca 0.09 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1fne s VAL 99 Cb -0.11 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1fne s VAL 99 CO -0.01 0.51 0.07 0.42 0.00 0.00 0.00 175.10 176.10 1fne s THR 100 N 0.56 0.01 -0.07 3.92 -4.23 -0.29 -5.00 115.64 110.53 1fne s THR 100 Ca -0.14 -0.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.31 1fne s THR 100 Cb -0.17 -0.14 -0.02 0.00 1.34 0.00 0.00 72.50 73.51 1fne s THR 100 CO 0.05 -0.05 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.20 1fne s VAL 101 N -0.13 2.60 -0.13 2.29 1.01 -1.26 -0.11 120.40 124.68 1fne s VAL 101 Ca -0.02 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 1fne s VAL 101 Cb -0.02 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.42 1fne s VAL 101 CO 0.00 0.56 0.63 -0.72 0.00 0.00 0.00 175.10 175.58 1fne s TYR 102 N -0.19 -0.63 0.54 5.22 -0.85 -0.38 -4.99 117.35 116.07 1fne s TYR 102 Ca -0.01 1.29 -0.07 0.00 -0.52 0.00 0.00 57.07 57.76 1fne s TYR 102 Cb -0.13 0.31 -0.03 0.00 0.38 0.00 0.00 41.96 42.48 1fne s TYR 102 CO 0.03 -0.48 0.88 -1.25 -1.52 0.00 0.00 175.55 173.22 1fne s PRO 103 N -0.58 3.49 -0.29 -3.49 0.04 -1.26 -0.31 135.00 132.60 1fne s PRO 103 Ca -0.07 0.37 -0.02 0.00 0.04 0.00 0.00 61.00 61.32 1fne s PRO 103 Cb -0.02 -2.26 0.10 0.00 0.04 0.00 0.00 34.50 32.35 1fne s PRO 103 CO 0.06 -0.39 0.10 0.95 0.04 0.00 0.00 177.00 177.76 1fne s THR 104 N -2.92 0.54 0.00 1.26 -4.23 -0.56 -4.89 115.64 104.84 1fne s THR 104 Ca 0.51 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1fne s THR 104 Cb -0.11 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.35 1fne s THR 104 CO 0.48 -0.64 0.00 2.29 -0.54 0.00 0.00 174.62 176.21 1fne n LYS 105 N 4.99 0.00 -3.73 3.99 -0.00 -1.26 -3.90 118.16 118.26 1fne n LYS 105 Ca -0.04 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.90 1fne n LYS 105 Cb 0.43 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.33 1fne n LYS 105 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1fne s THR 106 N -1.35 4.28 0.00 0.58 -4.23 -1.26 -4.96 115.64 108.69 1fne s THR 106 Ca 0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1fne s THR 106 Cb 0.00 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1fne s THR 106 CO 0.00 0.18 0.00 1.67 -0.54 0.00 0.00 174.62 175.93 1fne n GLN 107 N 4.92 0.00 -3.04 3.99 -0.06 -1.26 -4.37 117.38 117.56 1fne n GLN 107 Ca -0.15 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.46 1fne n GLN 107 Cb 0.50 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.62 1fne n GLN 107 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1fne s PRO 108 N 0.00 4.46 -0.02 3.69 0.04 -1.26 -4.91 135.00 137.00 1fne s PRO 108 Ca 0.00 1.01 0.22 0.00 0.04 0.00 0.00 61.00 62.27 1fne s PRO 108 Cb 0.00 -3.33 -0.30 0.00 0.04 0.00 0.00 34.50 30.91 1fne s PRO 108 CO 0.00 0.39 0.59 1.47 0.04 0.00 0.00 177.00 179.49 1fne n LEU 109 N 2.45 0.24 0.00 -3.56 -0.00 -1.26 -4.99 117.00 109.89 1fne n LEU 109 Ca -0.04 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 1fne n LEU 109 Cb 0.50 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1fne n LEU 109 CO 0.46 0.05 0.00 -0.62 -0.00 0.00 0.00 177.39 177.28 1fne n GLU 110 N -2.10 0.00 0.00 1.47 -0.58 -1.26 -4.30 120.64 113.87 1fne n GLU 110 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1fne n GLU 110 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 1fne n GLU 110 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1fne n HIS 111 N 0.00 0.00 -3.85 -0.32 -0.00 -1.26 -5.08 115.22 104.70 1fne n HIS 111 Ca 0.00 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.91 1fne n HIS 111 Cb 0.00 0.00 -0.17 0.00 -0.12 0.00 0.00 29.99 29.70 1fne n HIS 111 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1fne s HIS 112 N 0.67 1.42 0.71 1.57 3.76 -1.26 -5.02 115.29 117.14 1fne s HIS 112 Ca 0.00 -0.87 -0.12 0.00 -0.15 0.00 0.00 55.06 53.92 1fne s HIS 112 Cb 0.00 -1.19 0.02 0.00 1.11 0.00 0.00 32.58 32.52 1fne s HIS 112 CO 0.00 -0.56 1.08 0.54 -0.85 0.00 0.00 174.74 174.95 1fne s ASN 113 N 1.73 5.04 -0.04 1.40 6.03 -1.23 -4.77 114.94 123.08 1fne s ASN 113 Ca 0.02 1.79 0.01 0.00 -1.03 0.00 0.00 52.86 53.64 1fne s ASN 113 Cb -0.15 -2.52 -0.03 0.00 -3.03 0.00 0.00 41.25 35.52 1fne s ASN 113 CO -0.07 -1.68 -0.03 -0.76 -2.03 0.00 0.00 177.10 172.53 1fne s LEU 114 N -5.45 3.38 -0.26 3.54 1.43 -1.25 -2.56 118.68 117.50 1fne s LEU 114 Ca 0.61 0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.63 1fne s LEU 114 Cb -0.17 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1fne s LEU 114 CO 0.51 0.33 0.15 -0.22 0.23 0.00 0.00 176.35 177.35 1fne s LEU 115 N -1.13 3.90 -0.22 1.79 2.96 0.02 -1.50 118.68 124.50 1fne s LEU 115 Ca 0.15 -0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.94 1fne s LEU 115 Cb -0.11 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1fne s LEU 115 CO 0.05 -0.02 0.12 -0.69 -1.32 0.00 0.00 176.35 174.50 1fne s VAL 116 N 1.54 5.07 -0.50 1.68 1.01 0.58 -0.40 120.40 129.38 1fne s VAL 116 Ca 0.07 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1fne s VAL 116 Cb -0.15 -3.34 0.13 0.00 0.00 0.00 0.00 36.38 33.01 1fne s VAL 116 CO 0.08 0.38 0.36 0.00 0.00 0.00 0.00 175.10 175.92 1fne s SER 118 N 2.37 6.79 -0.25 0.00 0.15 0.84 -2.01 113.70 121.59 1fne s SER 118 Ca 0.08 0.97 0.02 0.00 0.70 0.00 0.00 55.95 57.72 1fne s SER 118 Cb -0.24 -2.41 0.06 0.00 -1.71 0.00 0.00 66.02 61.71 1fne s SER 118 CO -0.02 -0.46 -0.10 -0.69 1.20 0.00 0.00 173.24 173.18 1fne s VAL 119 N 2.63 2.02 0.34 4.45 1.01 -0.56 -1.14 120.40 129.15 1fne s VAL 119 Ca 0.33 -1.55 0.03 0.00 0.00 0.00 0.00 61.98 60.79 1fne s VAL 119 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1fne s VAL 119 CO 0.08 -0.05 0.14 -0.94 0.00 0.00 0.00 175.10 174.33 1fne s SER 120 N 1.17 2.02 -1.33 3.32 1.04 -0.24 -0.79 113.70 118.88 1fne s SER 120 Ca -0.08 -1.57 -0.01 0.00 0.48 0.00 0.00 55.95 54.77 1fne s SER 120 Cb -0.20 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1fne s SER 120 CO -0.05 -0.86 0.69 -0.67 0.98 0.00 0.00 173.24 173.33 1fne n ASP 121 N -1.01 -1.29 -4.48 7.02 2.03 -0.62 -1.04 116.55 117.16 1fne n ASP 121 Ca -0.01 -0.83 -0.23 0.00 0.52 0.00 0.00 54.79 54.23 1fne n ASP 121 Cb 0.65 -3.97 -0.11 0.00 -0.72 0.00 0.00 41.12 36.98 1fne n ASP 121 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1fne s PHE 122 N -3.67 2.12 -0.29 -0.67 -0.71 -0.97 -4.23 117.98 109.57 1fne s PHE 122 Ca 0.04 -0.72 -0.23 0.00 -1.04 0.00 0.00 56.93 54.98 1fne s PHE 122 Cb -0.02 -1.31 0.14 0.00 -1.21 0.00 0.00 43.02 40.62 1fne s PHE 122 CO 0.82 0.29 1.07 -0.47 -1.34 0.00 0.00 175.22 175.59 1fne s TYR 123 N -2.96 -0.44 0.65 3.49 6.14 -1.01 -0.16 117.35 123.05 1fne s TYR 123 Ca 0.33 1.02 -0.11 0.00 0.64 0.00 0.00 57.07 58.94 1fne s TYR 123 Cb 0.06 0.37 0.16 0.00 0.42 0.00 0.00 41.96 42.97 1fne s TYR 123 CO 0.14 -0.21 0.60 -0.35 0.64 0.00 0.00 175.55 176.37 1fne n PRO 124 N 2.51 -2.04 0.22 4.97 -0.04 -1.26 -1.00 135.00 138.36 1fne n PRO 124 Ca -0.14 -0.96 0.11 0.00 -0.04 0.00 0.00 63.50 62.47 1fne n PRO 124 Cb 0.56 -0.87 0.41 0.00 -0.04 0.00 0.00 33.50 33.56 1fne n PRO 124 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1fne h GLY 125 N -1.64 0.00 -5.50 0.55 0.00 -1.99 -3.45 103.07 91.04 1fne h GLY 125 Ca -0.22 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.53 1fne h GLY 125 CO 0.15 0.00 1.13 0.70 0.00 0.00 0.00 176.54 178.51 1fne n ASN 126 N -3.27 3.72 -3.47 0.19 3.02 -1.26 -4.95 115.26 109.25 1fne n ASN 126 Ca 0.01 0.96 -0.13 0.00 -0.03 0.00 0.00 54.58 55.38 1fne n ASN 126 Cb 0.46 -1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.15 1fne n ASN 126 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1fne s ILE 127 N 3.86 0.00 -0.08 2.41 2.07 -1.26 -4.48 121.20 123.72 1fne s ILE 127 Ca 0.90 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 60.14 1fne s ILE 127 Cb -0.59 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.03 1fne s ILE 127 CO 0.46 0.00 -0.05 -1.61 -1.91 0.00 0.00 174.94 171.83 1fne s GLU 128 N -2.71 1.13 -0.09 3.50 0.41 -0.39 -4.99 118.70 115.56 1fne s GLU 128 Ca -0.02 -0.14 0.02 0.00 -0.41 0.00 0.00 54.97 54.42 1fne s GLU 128 Cb -0.01 -1.22 0.01 0.00 -1.78 0.00 0.00 34.13 31.13 1fne s GLU 128 CO -0.04 -0.20 -0.16 0.08 -0.49 0.00 0.00 175.26 174.45 1fne s VAL 129 N 1.47 1.48 0.06 2.63 1.01 -1.26 -0.80 120.40 125.00 1fne s VAL 129 Ca -0.01 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1fne s VAL 129 Cb -0.13 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1fne s VAL 129 CO -0.04 0.44 -0.13 -0.13 0.00 0.00 0.00 175.10 175.24 1fne s ARG 130 N 0.79 0.76 -0.02 2.72 0.52 -0.11 -4.98 118.95 118.62 1fne s ARG 130 Ca -0.11 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 1fne s ARG 130 Cb -0.16 -0.72 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 1fne s ARG 130 CO 0.02 0.16 0.02 -1.58 0.02 0.00 0.00 175.30 173.93 1fne s TRP 131 N -1.28 3.13 0.01 -0.53 0.52 -1.26 -0.64 118.94 118.89 1fne s TRP 131 Ca -0.04 0.13 0.01 0.00 0.02 0.00 0.00 56.10 56.23 1fne s TRP 131 Cb -0.10 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1fne s TRP 131 CO 0.02 0.48 -0.04 -0.06 0.02 0.00 0.00 176.95 177.37 1fne s PHE 132 N -1.06 0.36 -0.17 -1.98 0.40 0.86 -1.47 117.98 114.93 1fne s PHE 132 Ca 0.19 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1fne s PHE 132 Cb -0.12 -0.23 0.04 0.00 0.51 0.00 0.00 43.02 43.22 1fne s PHE 132 CO 0.09 -0.03 -0.09 0.50 0.70 0.00 0.00 175.22 176.39 1fne s ARG 133 N -0.39 1.83 -1.45 0.44 3.52 -0.07 -0.46 118.95 122.37 1fne s ARG 133 Ca -0.01 -0.60 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 1fne s ARG 133 Cb -0.03 -2.11 0.05 0.00 -1.56 0.00 0.00 34.95 31.30 1fne s ARG 133 CO -0.00 -0.37 1.05 0.09 -0.81 0.00 0.00 175.30 175.26 1fne n ASN 134 N 4.80 -5.14 -0.18 -2.12 3.02 -0.85 -0.26 115.26 114.53 1fne n ASN 134 Ca -0.14 -0.69 -0.02 0.00 -0.03 0.00 0.00 54.58 53.70 1fne n ASN 134 Cb 0.48 -4.36 -0.01 0.00 -0.61 0.00 0.00 39.78 35.28 1fne n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fne n GLY 135 N -1.79 0.49 3.54 7.41 0.00 -1.26 -4.99 105.19 108.59 1fne n GLY 135 Ca 0.00 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1fne n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fne s LYS 136 N -1.34 3.83 0.37 1.61 1.02 0.64 -5.06 119.74 120.82 1fne s LYS 136 Ca 0.00 -0.39 -0.27 0.00 0.02 0.00 0.00 55.97 55.33 1fne s LYS 136 Cb 0.00 -3.41 -0.12 0.00 -0.52 0.00 0.00 37.83 33.79 1fne s LYS 136 CO 0.00 -0.07 1.19 0.39 -0.92 0.00 0.00 175.35 175.95 1fne n GLU 137 N 4.61 1.82 -3.94 1.68 -0.58 -1.26 -0.89 120.64 122.08 1fne n GLU 137 Ca -0.16 0.64 -0.32 0.00 -0.42 0.00 0.00 57.16 56.90 1fne n GLU 137 Cb 0.52 -2.22 -0.14 0.00 -0.57 0.00 0.00 31.44 29.03 1fne n GLU 137 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1fne s GLU 138 N -1.95 1.69 0.00 3.49 0.41 -0.54 -4.84 118.70 116.96 1fne s GLU 138 Ca 0.59 -1.95 0.22 0.00 -0.41 0.00 0.00 54.97 53.42 1fne s GLU 138 Cb -0.57 -3.33 0.52 0.00 -1.78 0.00 0.00 34.13 28.97 1fne s GLU 138 CO 0.60 -1.00 1.45 1.63 -0.49 0.00 0.00 175.26 177.45 1fne n LYS 139 N 4.22 2.41 -4.15 1.61 5.02 -1.26 -4.60 118.16 121.40 1fne n LYS 139 Ca 0.03 -2.15 -0.17 0.00 -2.02 0.00 0.00 58.31 54.00 1fne n LYS 139 Cb 0.41 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.80 1fne n LYS 139 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1fne s THR 140 N -1.42 0.99 -0.42 -0.18 2.01 -1.26 -4.79 115.64 110.57 1fne s THR 140 Ca 0.39 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1fne s THR 140 Cb 0.22 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.75 1fne s THR 140 CO 0.30 -0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1fne n GLY 141 N 1.30 0.36 3.65 4.40 0.00 -1.26 -4.81 105.19 108.82 1fne n GLY 141 Ca -0.21 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 1fne n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fne s ILE 142 N -2.21 5.22 -0.12 -0.61 -1.09 -1.26 -0.90 121.20 120.24 1fne s ILE 142 Ca 0.00 0.57 0.02 0.00 -2.23 0.00 0.00 60.65 59.01 1fne s ILE 142 Cb 0.00 -3.68 -0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1fne s ILE 142 CO 0.00 0.24 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.06 1fne s VAL 143 N 1.46 2.39 0.04 2.92 1.01 0.98 -4.98 120.40 124.22 1fne s VAL 143 Ca 0.16 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1fne s VAL 143 Cb -0.15 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1fne s VAL 143 CO 0.08 0.55 0.02 -0.55 0.00 0.00 0.00 175.10 175.19 1fne s SER 144 N 0.42 0.31 0.15 3.32 0.15 -1.26 0.86 113.70 117.65 1fne s SER 144 Ca -0.15 -0.70 0.25 0.00 0.70 0.00 0.00 55.95 56.05 1fne s SER 144 Cb -0.17 0.19 0.60 0.00 -1.71 0.00 0.00 66.02 64.92 1fne s SER 144 CO 0.06 -0.49 1.56 0.35 1.20 0.00 0.00 173.24 175.92 1fne n THR 145 N 0.72 0.44 -2.83 6.45 -2.24 -0.81 -5.03 114.28 110.99 1fne n THR 145 Ca -0.18 -0.26 0.01 0.00 -2.27 0.00 0.00 64.05 61.35 1fne n THR 145 Cb 0.59 -0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1fne n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fne n GLY 146 N 1.34 -1.98 3.66 3.38 0.00 -1.26 -4.72 105.19 105.61 1fne n GLY 146 Ca 0.05 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1fne n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fne s LEU 147 N 0.00 4.30 -0.23 0.99 2.96 -1.26 -4.49 118.68 120.95 1fne s LEU 147 Ca 0.00 2.14 -0.06 0.00 -0.22 0.00 0.00 54.13 55.99 1fne s LEU 147 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 1fne s LEU 147 CO 0.00 -0.88 0.02 -0.69 -1.32 0.00 0.00 176.35 173.48 1fne s VAL 148 N 3.74 3.90 -0.18 1.68 1.01 0.31 -4.99 120.40 125.87 1fne s VAL 148 Ca 0.69 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 1fne s VAL 148 Cb -0.31 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1fne s VAL 148 CO 0.27 0.39 0.63 -0.60 0.00 0.00 0.00 175.10 175.78 1fne s ARG 149 N 1.45 4.24 0.13 2.72 3.52 -1.26 -1.03 118.95 128.71 1fne s ARG 149 Ca 0.05 0.64 0.25 0.00 -0.13 0.00 0.00 55.73 56.54 1fne s ARG 149 Cb -0.15 -3.56 0.51 0.00 -1.56 0.00 0.00 34.95 30.19 1fne s ARG 149 CO 0.01 -0.20 1.46 0.09 -0.81 0.00 0.00 175.30 175.85 1fne n ASN 150 N 4.88 0.68 0.00 -2.12 3.02 -0.72 -4.95 115.26 116.05 1fne n ASN 150 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1fne n ASN 150 Cb 0.50 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1fne n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fne n GLY 151 N 1.35 1.25 0.89 7.41 0.00 -1.26 -4.89 105.19 109.95 1fne n GLY 151 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1fne n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fne n ASP 152 N 0.00 2.76 -0.72 1.61 5.68 -1.26 -4.93 116.55 119.68 1fne n ASP 152 Ca 0.00 -3.50 -0.07 0.00 -0.50 0.00 0.00 54.79 50.72 1fne n ASP 152 Cb 0.00 -0.57 -0.01 0.00 -1.14 0.00 0.00 41.12 39.39 1fne n ASP 152 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1fne n TRP 153 N -1.00 -0.23 -4.07 2.11 7.02 -1.26 -5.04 117.44 114.96 1fne n TRP 153 Ca 0.26 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.61 1fne n TRP 153 Cb 0.91 -1.85 -0.12 0.00 -2.42 0.00 0.00 31.31 27.83 1fne n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1fne s THR 154 N -2.32 0.45 0.40 -0.99 -4.23 -1.26 -4.75 115.64 102.94 1fne s THR 154 Ca 0.00 -0.83 0.07 0.00 -1.18 0.00 0.00 61.69 59.75 1fne s THR 154 Cb 0.00 -0.49 -0.06 0.00 1.34 0.00 0.00 72.50 73.29 1fne s THR 154 CO 0.00 -0.27 0.10 -0.36 -0.54 0.00 0.00 174.62 173.56 1fne s PHE 155 N -1.06 2.57 0.28 3.99 0.08 0.77 -1.76 117.98 122.85 1fne s PHE 155 Ca -0.08 -0.60 -0.15 0.00 0.12 0.00 0.00 56.93 56.22 1fne s PHE 155 Cb -0.08 -1.85 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 1fne s PHE 155 CO 0.00 0.31 0.59 1.14 -0.10 0.00 0.00 175.22 177.15 1fne s GLN 156 N -3.82 1.71 -0.29 0.44 -2.07 -0.20 -1.59 119.66 113.85 1fne s GLN 156 Ca 0.38 -1.21 -0.25 0.00 -1.82 0.00 0.00 55.36 52.46 1fne s GLN 156 Cb 0.06 0.53 0.14 0.00 -1.09 0.00 0.00 33.01 32.65 1fne s GLN 156 CO 0.21 -0.75 1.15 -0.08 -1.32 0.00 0.00 175.29 174.50 1fne s THR 157 N -3.78 0.00 -0.29 3.63 -1.32 0.03 -0.53 115.64 113.38 1fne s THR 157 Ca 0.18 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.64 1fne s THR 157 Cb -0.03 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.00 1fne s THR 157 CO 0.09 0.00 -0.01 -0.76 -2.21 0.00 0.00 174.62 171.73 1fne s LEU 158 N 0.16 3.70 -0.34 9.08 1.43 -1.26 -1.49 118.68 129.95 1fne s LEU 158 Ca 0.04 -1.11 -0.09 0.00 -1.03 0.00 0.00 54.13 51.95 1fne s LEU 158 Cb -0.05 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1fne s LEU 158 CO -0.09 -0.22 0.15 -0.69 0.23 0.00 0.00 176.35 175.73 1fne s VAL 159 N 1.30 4.27 -0.09 -1.59 1.01 -0.85 -1.92 120.40 122.53 1fne s VAL 159 Ca -0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1fne s VAL 159 Cb -0.19 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1fne s VAL 159 CO -0.02 -0.12 -0.05 -0.04 0.00 0.00 0.00 175.10 174.87 1fne s MET 160 N 1.51 3.01 -0.18 2.72 1.00 0.25 -1.04 119.30 126.58 1fne s MET 160 Ca 0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 55.69 55.15 1fne s MET 160 Cb -0.19 -2.70 -0.02 0.00 0.00 0.00 0.00 34.83 31.92 1fne s MET 160 CO 0.05 0.58 -0.03 -1.17 0.00 0.00 0.00 175.02 174.44 1fne s LEU 161 N -0.56 3.18 -0.27 -0.03 2.96 0.47 -0.01 118.68 124.41 1fne s LEU 161 Ca 0.09 -0.19 -0.25 0.00 -0.22 0.00 0.00 54.13 53.55 1fne s LEU 161 Cb -0.12 -1.78 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1fne s LEU 161 CO 0.02 0.11 0.88 -1.61 -1.32 0.00 0.00 176.35 174.43 1fne s GLU 162 N 0.70 4.11 0.27 1.98 2.02 -0.08 -0.80 118.70 126.91 1fne s GLU 162 Ca -0.02 0.91 -0.21 0.00 0.02 0.00 0.00 54.97 55.68 1fne s GLU 162 Cb -0.14 -3.68 0.03 0.00 0.10 0.00 0.00 34.13 30.44 1fne s GLU 162 CO 0.02 -0.63 0.77 0.95 0.02 0.00 0.00 175.26 176.38 1fne s THR 163 N 3.04 0.00 -0.35 3.63 -4.23 -1.06 -4.90 115.64 111.77 1fne s THR 163 Ca 0.37 -0.95 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1fne s THR 163 Cb -0.14 -2.09 0.10 0.00 1.34 0.00 0.00 72.50 71.71 1fne s THR 163 CO 0.10 0.00 0.06 -0.69 -0.54 0.00 0.00 174.62 173.55 1fne s VAL 164 N -3.66 2.33 0.24 2.29 1.01 -1.26 -3.57 120.40 117.77 1fne s VAL 164 Ca 0.12 -2.37 -0.30 0.00 0.00 0.00 0.00 61.98 59.42 1fne s VAL 164 Cb -0.05 -2.71 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 1fne s VAL 164 CO 0.07 -0.61 1.47 -2.84 0.00 0.00 0.00 175.10 173.18 1fne s PRO 165 N 0.87 4.25 0.01 2.72 0.02 -1.26 -5.03 135.00 136.58 1fne s PRO 165 Ca 0.11 2.33 0.08 0.00 0.02 0.00 0.00 61.00 63.54 1fne s PRO 165 Cb -0.19 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 1fne s PRO 165 CO -0.08 -0.46 -0.24 -0.65 -0.33 0.00 0.00 177.00 175.24 1fne s GLN 166 N -0.19 1.82 0.21 5.54 -0.21 -1.26 -5.09 119.66 120.47 1fne s GLN 166 Ca 0.61 -0.95 -0.32 0.00 0.02 0.00 0.00 55.36 54.72 1fne s GLN 166 Cb -0.42 -1.86 -0.15 0.00 1.00 0.00 0.00 33.01 31.58 1fne s GLN 166 CO 0.42 0.50 1.16 -1.13 -2.12 0.00 0.00 175.29 174.12 1fne n SER 167 N 2.17 1.52 0.00 5.90 3.41 -1.26 -2.04 113.62 123.31 1fne n SER 167 Ca -0.16 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 1fne n SER 167 Cb 0.52 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1fne n SER 167 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fne n GLY 168 N 1.87 3.02 3.59 5.00 0.00 -1.26 -5.05 105.19 112.36 1fne n GLY 168 Ca 0.13 -0.80 -0.49 0.00 0.00 0.00 0.00 46.02 44.86 1fne n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fne n GLU 169 N 0.00 1.25 -3.87 1.61 1.02 -0.87 -4.97 120.64 114.82 1fne n GLU 169 Ca 0.00 0.45 -0.36 0.00 -0.02 0.00 0.00 57.16 57.23 1fne n GLU 169 Cb 0.00 -1.99 -0.13 0.00 -0.02 0.00 0.00 31.44 29.30 1fne n GLU 169 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1fne s VAL 170 N -0.04 3.31 -0.04 2.62 1.01 -1.26 -4.93 120.40 121.07 1fne s VAL 170 Ca 0.75 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1fne s VAL 170 Cb -0.85 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1fne s VAL 170 CO 0.51 0.04 0.25 -0.31 0.00 0.00 0.00 175.10 175.59 1fne s TYR 171 N 1.36 3.61 -0.05 5.22 1.51 -0.33 -2.00 117.35 126.69 1fne s TYR 171 Ca -0.01 0.64 0.01 0.00 -1.01 0.00 0.00 57.07 56.70 1fne s TYR 171 Cb -0.18 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 1fne s TYR 171 CO -0.01 0.66 -0.03 0.99 -1.11 0.00 0.00 175.55 176.05 1fne s THR 172 N -1.17 0.46 -0.19 -0.71 2.01 0.39 -0.37 115.64 116.06 1fne s THR 172 Ca 0.23 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 1fne s THR 172 Cb -0.13 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1fne s THR 172 CO 0.12 0.22 0.07 0.00 -0.69 0.00 0.00 174.62 174.33 1fne s GLN 174 N 0.45 3.14 -0.06 0.00 0.74 0.19 -0.91 119.66 123.20 1fne s GLN 174 Ca 0.04 -0.77 0.05 0.00 0.05 0.00 0.00 55.36 54.73 1fne s GLN 174 Cb -0.12 -2.47 -0.00 0.00 1.10 0.00 0.00 33.01 31.51 1fne s GLN 174 CO 0.00 0.25 -0.22 0.08 -0.55 0.00 0.00 175.29 174.85 1fne s VAL 175 N 0.21 1.85 -0.06 1.34 1.01 0.56 -0.94 120.40 124.38 1fne s VAL 175 Ca -0.11 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 60.99 1fne s VAL 175 Cb -0.16 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1fne s VAL 175 CO 0.06 0.52 -0.23 -1.61 0.00 0.00 0.00 175.10 173.84 1fne s GLU 176 N 0.06 2.35 -0.18 2.72 2.02 0.02 -1.20 118.70 124.48 1fne s GLU 176 Ca -0.08 -0.82 -0.24 0.00 0.02 0.00 0.00 54.97 53.85 1fne s GLU 176 Cb -0.14 -1.99 0.06 0.00 0.10 0.00 0.00 34.13 32.15 1fne s GLU 176 CO 0.05 0.33 0.64 -1.58 0.02 0.00 0.00 175.26 174.72 1fne s HIS 177 N -0.08 -0.67 0.45 1.61 2.46 -1.26 -1.27 115.29 116.53 1fne s HIS 177 Ca -0.04 1.51 0.27 0.00 0.47 0.00 0.00 55.06 57.27 1fne s HIS 177 Cb -0.13 0.27 1.45 0.00 -0.13 0.00 0.00 32.58 34.04 1fne s HIS 177 CO 0.03 -0.41 1.79 -1.00 -2.47 0.00 0.00 174.74 172.69 1fne h PRO 178 N 4.55 0.00 -0.10 2.88 0.13 -1.95 0.11 132.00 137.62 1fne h PRO 178 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1fne h PRO 178 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1fne h PRO 178 CO 0.18 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.82 1fne n SER 179 N -2.66 0.95 -4.07 1.44 3.41 -1.26 -4.77 113.62 106.67 1fne n SER 179 Ca -0.02 -1.60 -0.30 0.00 -0.26 0.00 0.00 58.87 56.69 1fne n SER 179 Cb 0.32 -0.06 -0.16 0.00 -0.26 0.00 0.00 64.21 64.04 1fne n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fne s LEU 180 N -1.56 1.81 0.19 1.04 1.43 0.38 -4.87 118.68 117.11 1fne s LEU 180 Ca 0.30 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 1fne s LEU 180 Cb 0.15 -1.22 0.09 0.00 0.03 0.00 0.00 46.19 45.24 1fne s LEU 180 CO 0.24 -0.00 1.69 0.71 0.23 0.00 0.00 176.35 179.21 1fne h THR 181 N 5.97 1.26 -3.76 5.49 1.35 -1.86 -3.44 112.91 117.92 1fne h THR 181 Ca -0.35 -1.01 -0.63 0.00 -0.55 0.00 0.00 66.41 63.87 1fne h THR 181 Cb 1.16 0.64 -0.21 0.00 -1.73 0.00 0.00 68.15 68.00 1fne h THR 181 CO 0.53 0.38 -0.84 -1.81 -0.25 0.00 0.00 175.52 173.53 1fne s ASP 182 N -6.44 3.03 0.49 5.36 1.01 -1.26 -5.12 116.67 113.74 1fne s ASP 182 Ca -0.12 -0.76 -0.24 0.00 0.71 0.00 0.00 52.55 52.15 1fne s ASP 182 Cb 0.14 -0.19 -0.07 0.00 1.01 0.00 0.00 42.92 43.81 1fne s ASP 182 CO 0.84 0.11 1.38 -2.84 0.21 0.00 0.00 175.17 174.88 1fne s PRO 183 N -2.16 3.49 -0.14 8.23 0.02 -1.26 -4.94 135.00 138.24 1fne s PRO 183 Ca 0.13 2.31 -0.09 0.00 0.02 0.00 0.00 61.00 63.36 1fne s PRO 183 Cb -0.09 -2.50 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 1fne s PRO 183 CO 0.06 -0.94 0.17 0.08 -0.33 0.00 0.00 177.00 176.05 1fne s VAL 184 N -1.26 5.42 -0.04 3.83 1.01 -0.34 -4.93 120.40 124.09 1fne s VAL 184 Ca 0.65 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.94 1fne s VAL 184 Cb -0.42 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1fne s VAL 184 CO 0.52 0.54 -0.10 0.42 0.00 0.00 0.00 175.10 176.48 1fne s THR 185 N -0.50 0.92 -0.06 3.92 -4.23 -1.26 -0.32 115.64 114.11 1fne s THR 185 Ca 0.14 -0.40 0.04 0.00 -1.18 0.00 0.00 61.69 60.28 1fne s THR 185 Cb -0.12 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1fne s THR 185 CO 0.03 0.29 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.55 1fne s VAL 186 N 0.38 1.41 0.10 2.29 1.01 -0.09 -4.96 120.40 120.54 1fne s VAL 186 Ca -0.07 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.29 1fne s VAL 186 Cb -0.12 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1fne s VAL 186 CO 0.01 0.41 -0.05 -1.61 0.00 0.00 0.00 175.10 173.87 1fne s GLU 187 N 0.28 2.35 0.00 2.72 2.02 -1.26 -0.39 118.70 124.41 1fne s GLU 187 Ca -0.09 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 53.96 1fne s GLU 187 Cb -0.14 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.67 1fne s GLU 187 CO 0.04 0.52 0.09 1.87 0.02 0.00 0.00 175.26 177.80