#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ie7 s LEU -1 N 0.00 0.09 -0.14 1.04 2.96 -1.26 -4.98 118.68 116.39 3ie7 s LEU -1 Ca 0.00 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 3ie7 s LEU -1 Cb 0.00 2.11 -0.03 0.00 0.50 0.00 0.00 46.19 48.78 3ie7 s LEU -1 CO 0.00 -0.97 -0.06 -0.63 -1.32 0.00 0.00 176.35 173.37 3ie7 s ILE 2 N -3.83 3.72 -0.05 6.68 1.01 -1.12 -4.51 121.20 123.09 3ie7 s ILE 2 Ca 0.06 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.32 3ie7 s ILE 2 Cb -0.00 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3ie7 s ILE 2 CO -0.07 0.51 -0.15 -0.31 0.00 0.00 0.00 174.94 174.92 3ie7 s TYR 3 N 0.25 2.69 0.09 3.97 2.02 -1.26 -0.75 117.35 124.36 3ie7 s TYR 3 Ca -0.04 -0.21 0.07 0.00 -0.37 0.00 0.00 57.07 56.52 3ie7 s TYR 3 Cb -0.14 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 3ie7 s TYR 3 CO 0.03 0.14 -0.13 0.95 -1.57 0.00 0.00 175.55 174.97 3ie7 s THR 4 N -0.63 3.14 -0.17 -0.71 -4.23 -0.73 -0.23 115.64 112.07 3ie7 s THR 4 Ca 0.09 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3ie7 s THR 4 Cb -0.11 -2.43 0.03 0.00 1.34 0.00 0.00 72.50 71.33 3ie7 s THR 4 CO 0.01 0.17 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.48 3ie7 s ILE 5 N -1.13 1.68 -0.37 2.99 1.01 0.15 -0.19 121.20 125.34 3ie7 s ILE 5 Ca 0.19 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.07 3ie7 s ILE 5 Cb -0.11 -1.61 0.10 0.00 0.01 0.00 0.00 42.46 40.86 3ie7 s ILE 5 CO 0.11 0.40 0.11 -0.89 0.00 0.00 0.00 174.94 174.67 3ie7 s THR 6 N 1.43 2.63 -0.01 2.92 2.01 -0.24 -3.04 115.64 121.34 3ie7 s THR 6 Ca 0.03 -2.28 0.25 0.00 0.31 0.00 0.00 61.69 60.00 3ie7 s THR 6 Cb -0.14 -2.89 0.28 0.00 0.01 0.00 0.00 72.50 69.76 3ie7 s THR 6 CO -0.10 -0.64 1.79 -0.07 -0.69 0.00 0.00 174.62 174.90 3ie7 h LEU 7 N 7.72 0.00 -6.02 4.42 3.38 -1.84 -3.23 115.31 119.74 3ie7 h LEU 7 Ca -0.07 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.33 3ie7 h LEU 7 Cb 1.03 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.37 3ie7 h LEU 7 CO 0.58 0.16 -0.94 -3.20 0.09 0.00 0.00 178.44 175.13 3ie7 n ASN 8 N -3.24 1.55 -4.65 -0.43 5.15 -1.26 -4.38 115.26 108.00 3ie7 n ASN 8 Ca 0.01 -3.00 -0.30 0.00 -0.60 0.00 0.00 54.58 50.69 3ie7 n ASN 8 Cb 0.45 -0.64 0.17 0.00 -0.53 0.00 0.00 39.78 39.23 3ie7 n ASN 8 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ie7 s PRO 9 N -1.82 0.69 0.21 1.20 0.04 -1.26 -4.40 135.00 129.66 3ie7 s PRO 9 Ca 0.38 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.30 3ie7 s PRO 9 Cb 0.19 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 33.00 3ie7 s PRO 9 CO -0.08 -2.69 0.44 0.00 0.04 0.00 0.00 177.00 174.71 3ie7 s ALA 10 N -2.75 -0.40 -0.21 8.56 0.00 -0.80 -4.08 121.76 122.09 3ie7 s ALA 10 Ca 0.65 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 3ie7 s ALA 10 Cb -0.21 0.94 0.01 0.00 0.00 0.00 0.00 23.12 23.86 3ie7 s ALA 10 CO 0.59 -0.78 -0.13 0.42 0.00 0.00 0.00 175.76 175.86 3ie7 s ILE 11 N -3.96 2.59 -0.14 0.00 1.01 -0.24 0.13 121.20 120.60 3ie7 s ILE 11 Ca 0.16 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.80 3ie7 s ILE 11 Cb 0.00 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3ie7 s ILE 11 CO 0.03 0.43 0.43 -1.81 0.00 0.00 0.00 174.94 174.02 3ie7 s ASP 12 N 1.34 6.61 -0.30 3.58 1.01 0.45 -1.10 116.67 128.26 3ie7 s ASP 12 Ca 0.04 0.72 -0.05 0.00 0.71 0.00 0.00 52.55 53.97 3ie7 s ASP 12 Cb -0.14 -2.26 0.03 0.00 1.01 0.00 0.00 42.92 41.56 3ie7 s ASP 12 CO -0.08 0.00 0.05 -0.60 0.21 0.00 0.00 175.17 174.75 3ie7 s ARG 13 N 0.70 2.76 -0.23 8.23 3.52 -0.38 -1.31 118.95 132.24 3ie7 s ARG 13 Ca 0.23 -1.07 -0.23 0.00 -0.13 0.00 0.00 55.73 54.54 3ie7 s ARG 13 Cb -0.15 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 3ie7 s ARG 13 CO 0.09 -0.55 0.74 -0.51 -0.81 0.00 0.00 175.30 174.26 3ie7 s LEU 14 N 1.39 4.09 -0.39 -0.88 1.02 0.11 -1.44 118.68 122.59 3ie7 s LEU 14 Ca -0.01 0.91 -0.07 0.00 0.02 0.00 0.00 54.13 54.98 3ie7 s LEU 14 Cb -0.18 -3.04 0.07 0.00 0.02 0.00 0.00 46.19 43.05 3ie7 s LEU 14 CO 0.01 -0.43 0.20 -0.76 0.02 0.00 0.00 176.35 175.39 3ie7 s LEU 15 N 2.55 4.87 -0.20 1.79 1.43 0.86 -1.71 118.68 128.26 3ie7 s LEU 15 Ca 0.31 -1.45 -0.23 0.00 -1.03 0.00 0.00 54.13 51.73 3ie7 s LEU 15 Cb -0.16 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 3ie7 s LEU 15 CO 0.09 -0.46 0.73 -0.36 0.23 0.00 0.00 176.35 176.57 3ie7 s PHE 16 N 1.38 3.37 0.50 0.29 0.08 -0.72 -1.73 117.98 121.14 3ie7 s PHE 16 Ca 0.02 1.06 0.01 0.00 0.12 0.00 0.00 56.93 58.15 3ie7 s PHE 16 Cb -0.22 -2.92 -0.01 0.00 -0.57 0.00 0.00 43.02 39.30 3ie7 s PHE 16 CO 0.01 -0.26 0.04 0.96 -0.10 0.00 0.00 175.22 175.88 3ie7 s ILE 17 N 2.23 0.89 -0.17 0.64 -4.36 -0.06 0.12 121.20 120.49 3ie7 s ILE 17 Ca 0.33 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.61 3ie7 s ILE 17 Cb -0.16 -2.12 -0.05 0.00 1.25 0.00 0.00 42.46 41.39 3ie7 s ILE 17 CO 0.10 0.00 0.19 -0.13 0.24 0.00 0.00 174.94 175.34 3ie7 s ARG 18 N -3.83 4.11 3.24 0.37 0.52 -1.26 -4.20 118.95 117.90 3ie7 s ARG 18 Ca 0.08 -0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 3ie7 s ARG 18 Cb 0.01 -3.39 0.00 0.00 0.52 0.00 0.00 34.95 32.09 3ie7 s ARG 18 CO 0.05 0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.13 3ie7 n GLY 19 N 3.24 0.62 3.81 -3.53 0.00 -1.26 -4.82 105.19 103.24 3ie7 n GLY 19 Ca -0.15 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 3ie7 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie7 s GLU 20 N 0.00 3.33 -0.53 1.61 0.41 -1.26 -4.69 118.70 117.57 3ie7 s GLU 20 Ca 0.00 1.17 -0.26 0.00 -0.41 0.00 0.00 54.97 55.47 3ie7 s GLU 20 Cb 0.00 -2.04 0.03 0.00 -1.78 0.00 0.00 34.13 30.35 3ie7 s GLU 20 CO 0.00 -0.80 1.04 -1.17 -0.49 0.00 0.00 175.26 173.85 3ie7 s LEU 21 N -4.55 3.82 -0.31 1.80 2.96 -1.26 -5.00 118.68 116.14 3ie7 s LEU 21 Ca 0.63 -0.02 -0.17 0.00 -0.22 0.00 0.00 54.13 54.35 3ie7 s LEU 21 Cb -0.15 -3.09 -0.02 0.00 0.50 0.00 0.00 46.19 43.43 3ie7 s LEU 21 CO 0.38 -1.28 0.45 -1.61 -1.32 0.00 0.00 176.35 172.97 3ie7 s GLU 22 N 4.29 3.78 0.67 1.98 0.41 -1.26 -5.06 118.70 123.51 3ie7 s GLU 22 Ca 0.38 -0.08 -0.15 0.00 -0.41 0.00 0.00 54.97 54.70 3ie7 s GLU 22 Cb -0.10 -3.74 0.01 0.00 -1.78 0.00 0.00 34.13 28.52 3ie7 s GLU 22 CO 0.24 -0.48 1.13 -1.59 -0.49 0.00 0.00 175.26 174.07 3ie7 s LYS 23 N 2.23 2.67 -1.51 1.61 -2.85 -1.26 -2.83 119.74 117.80 3ie7 s LYS 23 Ca 0.17 1.47 0.00 0.00 -1.00 0.00 0.00 55.97 56.61 3ie7 s LYS 23 Cb -0.16 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 3ie7 s LYS 23 CO 0.11 -1.37 0.00 0.54 0.10 0.00 0.00 175.35 174.74 3ie7 n ARG 24 N -2.45 -1.44 -4.34 1.78 1.74 -1.26 -4.95 116.66 105.73 3ie7 n ARG 24 Ca 0.11 0.99 -0.18 0.00 -0.77 0.00 0.00 57.85 58.00 3ie7 n ARG 24 Cb 0.52 -5.30 -0.10 0.00 -1.02 0.00 0.00 32.46 26.55 3ie7 n ARG 24 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3ie7 s LYS 25 N -3.15 1.40 -0.25 5.56 -0.14 -1.13 -5.13 119.74 116.90 3ie7 s LYS 25 Ca 0.00 -1.73 -0.18 0.00 -1.36 0.00 0.00 55.97 52.71 3ie7 s LYS 25 Cb 0.00 -0.58 -0.03 0.00 -1.68 0.00 0.00 37.83 35.54 3ie7 s LYS 25 CO 0.00 -0.15 0.50 0.99 -0.76 0.00 0.00 175.35 175.93 3ie7 s THR 26 N -3.47 5.09 -0.53 2.17 2.01 -1.26 -4.93 115.64 114.71 3ie7 s THR 26 Ca 0.31 0.86 -0.02 0.00 0.31 0.00 0.00 61.69 63.15 3ie7 s THR 26 Cb 0.07 -3.81 0.14 0.00 0.01 0.00 0.00 72.50 68.90 3ie7 s THR 26 CO 0.11 0.11 0.34 0.20 -0.69 0.00 0.00 174.62 174.69 3ie7 s ASN 27 N 1.47 5.18 0.27 3.53 0.01 -1.26 -5.02 114.94 119.13 3ie7 s ASN 27 Ca 0.21 -2.55 -0.30 0.00 -0.71 0.00 0.00 52.86 49.51 3ie7 s ASN 27 Cb -0.16 -1.83 -0.11 0.00 0.41 0.00 0.00 41.25 39.57 3ie7 s ASN 27 CO 0.09 -0.43 1.52 -0.13 -1.51 0.00 0.00 177.10 176.65 3ie7 s ARG 28 N 0.38 4.19 -0.21 -0.60 0.52 -1.26 -4.97 118.95 117.00 3ie7 s ARG 28 Ca 0.14 2.45 -0.23 0.00 -0.52 0.00 0.00 55.73 57.57 3ie7 s ARG 28 Cb -0.21 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.18 3ie7 s ARG 28 CO -0.04 -0.53 0.72 0.08 0.02 0.00 0.00 175.30 175.55 3ie7 s VAL 29 N -0.01 4.94 0.10 3.52 1.01 -1.26 -4.31 120.40 124.39 3ie7 s VAL 29 Ca 0.61 1.36 -0.09 0.00 0.00 0.00 0.00 61.98 63.86 3ie7 s VAL 29 Cb -0.45 -4.02 -0.21 0.00 0.00 0.00 0.00 36.38 31.69 3ie7 s VAL 29 CO 0.46 0.04 1.24 0.40 0.00 0.00 0.00 175.10 177.24 3ie7 h ILE 30 N 5.27 1.35 -2.72 2.22 1.08 0.55 -3.48 117.51 121.78 3ie7 h ILE 30 Ca -0.28 -2.39 0.01 0.00 -0.39 0.00 0.00 64.86 61.81 3ie7 h ILE 30 Cb 1.13 2.44 -0.14 0.00 -3.07 0.00 0.00 36.82 37.18 3ie7 h ILE 30 CO 0.81 0.72 0.28 -1.59 -0.69 0.00 0.00 178.15 177.69 3ie7 s LYS 31 N -3.24 1.14 -0.05 2.37 -2.85 -1.22 -5.03 119.74 110.85 3ie7 s LYS 31 Ca -0.08 -0.36 0.04 0.00 -1.00 0.00 0.00 55.97 54.57 3ie7 s LYS 31 Cb 0.08 0.53 -0.00 0.00 -2.06 0.00 0.00 37.83 36.37 3ie7 s LYS 31 CO 0.89 -0.49 -0.17 0.99 0.10 0.00 0.00 175.35 176.68 3ie7 s THR 32 N -3.34 1.45 0.13 3.79 2.01 -1.26 -1.75 115.64 116.67 3ie7 s THR 32 Ca 0.01 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.35 3ie7 s THR 32 Cb -0.01 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 3ie7 s THR 32 CO -0.10 0.42 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.53 3ie7 s GLU 33 N 0.17 1.02 0.09 4.92 2.02 -0.69 -4.98 118.70 121.26 3ie7 s GLU 33 Ca -0.07 -1.35 0.09 0.00 0.02 0.00 0.00 54.97 53.66 3ie7 s GLU 33 Cb -0.13 -0.69 -0.03 0.00 0.10 0.00 0.00 34.13 33.37 3ie7 s GLU 33 CO 0.03 0.10 -0.25 -0.06 0.02 0.00 0.00 175.26 175.11 3ie7 s PHE 34 N -2.86 2.13 0.18 1.61 0.08 -1.26 0.09 117.98 117.94 3ie7 s PHE 34 Ca 0.13 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.70 3ie7 s PHE 34 Cb -0.00 -1.20 -0.01 0.00 -0.57 0.00 0.00 43.02 41.24 3ie7 s PHE 34 CO 0.01 0.23 0.29 0.34 -0.10 0.00 0.00 175.22 175.99 3ie7 s ASP 35 N -1.71 0.04 0.33 1.36 2.15 -0.43 -4.98 116.67 113.44 3ie7 s ASP 35 Ca 0.11 -0.93 -0.12 0.00 0.43 0.00 0.00 52.55 52.04 3ie7 s ASP 35 Cb -0.10 0.45 -0.07 0.00 -0.30 0.00 0.00 42.92 42.89 3ie7 s ASP 35 CO 0.04 -0.91 0.70 0.00 -0.17 0.00 0.00 175.17 174.83 3ie7 s GLY 37 N -2.67 2.21 0.00 0.00 0.00 0.36 -4.56 107.32 102.65 3ie7 s GLY 37 Ca 0.51 -2.07 0.00 0.00 0.00 0.00 0.00 44.72 43.17 3ie7 s GLY 37 CO 0.24 -1.96 0.00 0.61 0.00 0.00 0.00 173.10 171.99 3ie7 n GLY 38 N -0.98 1.15 0.28 0.20 0.00 -1.26 -1.91 105.19 102.67 3ie7 n GLY 38 Ca -0.04 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 44.78 3ie7 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie7 h LYS 39 N 0.00 0.56 -0.61 1.61 1.57 -1.88 -1.75 116.57 116.07 3ie7 h LYS 39 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ie7 h LYS 39 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3ie7 h LYS 39 CO 0.00 0.37 0.39 0.78 -0.57 0.00 0.00 179.45 180.42 3ie7 h GLY 40 N 0.57 0.86 1.57 3.86 0.00 -1.78 -1.32 103.07 106.84 3ie7 h GLY 40 Ca 0.40 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 3ie7 h GLY 40 CO -0.33 0.32 -0.45 1.41 0.00 0.00 0.00 176.54 177.49 3ie7 h LEU 41 N 0.83 0.50 -0.75 3.11 3.38 -1.59 -1.15 115.31 119.65 3ie7 h LEU 41 Ca 0.22 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3ie7 h LEU 41 Cb -0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3ie7 h LEU 41 CO -0.05 0.88 -0.06 0.45 0.09 0.00 0.00 178.44 179.76 3ie7 h HIS 42 N 0.38 0.98 -0.63 1.13 3.86 -1.02 -0.08 115.15 119.77 3ie7 h HIS 42 Ca 0.03 -0.17 -0.08 0.00 -1.16 0.00 0.00 60.37 58.98 3ie7 h HIS 42 Cb 0.94 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 3ie7 h HIS 42 CO 0.03 0.91 0.07 0.28 0.86 0.00 0.00 177.93 180.08 3ie7 h VAL 43 N 0.82 1.26 -0.75 2.45 2.07 -0.94 -1.55 116.25 119.61 3ie7 h VAL 43 Ca 0.14 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3ie7 h VAL 43 Cb 0.57 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3ie7 h VAL 43 CO 0.03 0.39 0.39 0.28 0.02 0.00 0.00 177.57 178.69 3ie7 h SER 44 N 0.97 0.95 -0.98 0.57 0.02 -0.84 -1.19 113.55 113.06 3ie7 h SER 44 Ca 0.19 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3ie7 h SER 44 Cb 0.48 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 3ie7 h SER 44 CO 0.02 0.79 0.64 1.23 -1.14 0.00 0.00 176.83 178.37 3ie7 h GLY 45 N 1.04 1.38 0.83 -3.77 0.00 -0.58 -0.20 103.07 101.78 3ie7 h GLY 45 Ca 0.26 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3ie7 h GLY 45 CO -0.04 0.52 0.03 -2.08 0.00 0.00 0.00 176.54 174.97 3ie7 h VAL 46 N 1.33 1.23 -0.94 4.60 2.07 -0.79 -2.22 116.25 121.53 3ie7 h VAL 46 Ca 0.36 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3ie7 h VAL 46 Cb -0.14 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3ie7 h VAL 46 CO -0.08 0.23 0.62 -0.07 0.02 0.00 0.00 177.57 178.30 3ie7 h LEU 47 N 0.10 1.08 -1.32 2.57 3.38 -0.89 -1.74 115.31 118.50 3ie7 h LEU 47 Ca 0.06 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3ie7 h LEU 47 Cb 0.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3ie7 h LEU 47 CO 0.00 0.78 -0.34 0.28 0.09 0.00 0.00 178.44 179.26 3ie7 h SER 48 N 1.27 0.00 0.14 -0.43 0.02 -0.88 -1.82 113.55 111.85 3ie7 h SER 48 Ca 0.35 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.22 3ie7 h SER 48 Cb -0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3ie7 h SER 48 CO -0.08 0.34 -0.27 0.11 -1.14 0.00 0.00 176.83 175.79 3ie7 h LYS 49 N 0.00 0.21 0.00 3.45 1.57 -0.69 -1.74 116.57 119.37 3ie7 h LYS 49 Ca -0.00 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3ie7 h LYS 49 Cb 0.62 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3ie7 h LYS 49 CO 0.04 0.47 -0.28 0.74 -0.57 0.00 0.00 179.45 179.85 3ie7 h PHE 50 N 0.19 0.00 0.00 -1.35 0.04 -1.10 -3.47 116.94 111.25 3ie7 h PHE 50 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3ie7 h PHE 50 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 3ie7 h PHE 50 CO 0.01 0.28 0.00 0.41 -0.60 0.00 0.00 178.31 178.41 3ie7 n GLY 51 N 0.70 0.75 3.74 -1.45 0.00 -0.66 -5.04 105.19 103.23 3ie7 n GLY 51 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3ie7 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ie7 s ILE 52 N -2.29 4.50 0.15 -0.61 1.01 -1.07 -4.99 121.20 117.90 3ie7 s ILE 52 Ca 0.00 1.94 -0.32 0.00 0.00 0.00 0.00 60.65 62.27 3ie7 s ILE 52 Cb 0.00 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 38.09 3ie7 s ILE 52 CO 0.00 0.36 1.75 1.17 0.00 0.00 0.00 174.94 178.22 3ie7 n LYS 53 N 2.57 2.61 -3.53 2.79 3.00 -1.26 -4.44 118.16 119.90 3ie7 n LYS 53 Ca 0.00 0.95 -0.12 0.00 -0.00 0.00 0.00 58.31 59.14 3ie7 n LYS 53 Cb 0.49 -2.80 -0.04 0.00 0.00 0.00 0.00 35.03 32.69 3ie7 n LYS 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3ie7 s ASN 54 N 1.92 -0.42 -0.02 3.14 2.20 -1.26 -2.80 114.94 117.71 3ie7 s ASN 54 Ca 0.80 -0.09 -0.01 0.00 -0.94 0.00 0.00 52.86 52.62 3ie7 s ASN 54 Cb -0.54 0.53 0.02 0.00 -2.00 0.00 0.00 41.25 39.26 3ie7 s ASN 54 CO 0.37 -0.88 0.04 -0.70 -2.94 0.00 0.00 177.10 172.99 3ie7 s GLU 55 N -3.54 0.01 -0.14 3.55 2.12 0.07 -4.47 118.70 116.31 3ie7 s GLU 55 Ca 0.01 0.14 -0.16 0.00 0.36 0.00 0.00 54.97 55.31 3ie7 s GLU 55 Cb 0.00 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 3ie7 s GLU 55 CO -0.11 -0.09 0.40 0.00 -0.54 0.00 0.00 175.26 174.93 3ie7 s ALA 56 N 0.55 3.52 0.29 6.30 0.00 0.06 -1.78 121.76 130.70 3ie7 s ALA 56 Ca -0.04 -0.30 0.10 0.00 0.00 0.00 0.00 51.96 51.72 3ie7 s ALA 56 Cb -0.06 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 3ie7 s ALA 56 CO -0.02 0.03 -0.06 -0.51 0.00 0.00 0.00 175.76 175.20 3ie7 s LEU 57 N 0.57 2.94 0.00 0.00 1.43 0.73 -1.55 118.68 122.80 3ie7 s LEU 57 Ca 0.22 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3ie7 s LEU 57 Cb -0.14 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3ie7 s LEU 57 CO 0.08 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.21 3ie7 n GLY 58 N -0.82 -0.30 3.04 -3.19 0.00 -1.26 -1.07 105.19 101.58 3ie7 n GLY 58 Ca -0.05 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 3ie7 n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ie7 s ILE 59 N -2.49 1.66 0.25 -0.61 1.09 -1.22 -0.63 121.20 119.25 3ie7 s ILE 59 Ca 0.00 -0.69 0.11 0.00 -1.10 0.00 0.00 60.65 58.96 3ie7 s ILE 59 Cb 0.00 -1.55 -0.05 0.00 -1.06 0.00 0.00 42.46 39.81 3ie7 s ILE 59 CO 0.00 0.47 -0.12 0.00 -0.10 0.00 0.00 174.94 175.19 3ie7 s ALA 60 N 1.42 2.89 0.31 9.38 0.00 -0.49 -4.47 121.76 130.80 3ie7 s ALA 60 Ca 0.04 -1.73 -0.27 0.00 0.00 0.00 0.00 51.96 50.00 3ie7 s ALA 60 Cb -0.13 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.40 3ie7 s ALA 60 CO -0.11 0.31 0.99 0.20 0.00 0.00 0.00 175.76 177.16 3ie7 s GLY 61 N -3.40 2.92 0.16 0.00 0.00 -1.26 -0.80 107.32 104.94 3ie7 s GLY 61 Ca 0.29 0.65 -0.06 0.00 0.00 0.00 0.00 44.72 45.60 3ie7 s GLY 61 CO 0.16 1.15 1.44 1.48 0.00 0.00 0.00 173.10 177.33 3ie7 h SER 62 N 3.41 0.71 0.14 1.64 4.64 -0.76 -3.21 113.55 120.11 3ie7 h SER 62 Ca -0.47 -0.41 -0.00 0.00 -0.47 0.00 0.00 61.79 60.44 3ie7 h SER 62 Cb 1.20 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3ie7 h SER 62 CO 0.66 1.16 -0.02 0.44 -0.87 0.00 0.00 176.83 178.20 3ie7 h ASP 63 N 0.46 0.00 -0.19 4.97 3.32 -1.45 -2.86 116.42 120.67 3ie7 h ASP 63 Ca -0.01 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.84 3ie7 h ASP 63 Cb 1.20 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 3ie7 h ASP 63 CO 0.12 0.02 -0.94 -0.46 -1.72 0.00 0.00 179.24 176.26 3ie7 n ASN 64 N -3.41 1.69 -0.21 6.45 0.23 -1.25 -4.88 115.26 113.88 3ie7 n ASN 64 Ca -0.03 -2.53 -0.07 0.00 -0.53 0.00 0.00 54.58 51.42 3ie7 n ASN 64 Cb 0.12 -0.39 0.03 0.00 -2.08 0.00 0.00 39.78 37.45 3ie7 n ASN 64 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3ie7 h LEU 65 N 1.55 0.77 -1.04 -4.53 5.85 -1.50 -2.46 115.31 113.94 3ie7 h LEU 65 Ca -0.10 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.51 3ie7 h LEU 65 Cb 1.53 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.31 3ie7 h LEU 65 CO 0.17 0.69 0.65 0.44 -0.34 0.00 0.00 178.44 180.05 3ie7 h ASP 66 N 0.79 1.09 -0.10 1.25 3.32 -1.90 -0.06 116.42 120.81 3ie7 h ASP 66 Ca 0.20 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3ie7 h ASP 66 Cb 0.14 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3ie7 h ASP 66 CO -0.02 0.76 0.03 0.50 -1.72 0.00 0.00 179.24 178.78 3ie7 h LYS 67 N 1.27 0.15 -0.29 3.56 3.64 -1.89 -0.53 116.57 122.48 3ie7 h LYS 67 Ca 0.38 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.74 3ie7 h LYS 67 Cb -0.04 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3ie7 h LYS 67 CO -0.11 0.32 0.16 1.25 -2.27 0.00 0.00 179.45 178.80 3ie7 h LEU 68 N -0.04 0.25 -1.32 5.20 5.85 -1.08 -1.98 115.31 122.19 3ie7 h LEU 68 Ca 0.03 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3ie7 h LEU 68 Cb 0.23 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3ie7 h LEU 68 CO -0.00 0.19 0.11 1.88 -0.34 0.00 0.00 178.44 180.28 3ie7 h TYR 69 N 0.33 0.58 -0.62 1.25 -1.99 -0.91 -0.72 116.97 114.89 3ie7 h TYR 69 Ca 0.12 -0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.73 3ie7 h TYR 69 Cb 0.01 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.54 3ie7 h TYR 69 CO -0.08 0.49 0.05 0.00 -0.00 0.00 0.00 178.16 178.62 3ie7 h ALA 70 N 1.56 0.83 -0.43 3.88 0.00 -0.65 -0.82 119.26 123.62 3ie7 h ALA 70 Ca 0.13 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3ie7 h ALA 70 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ie7 h ALA 70 CO -0.01 0.63 -0.00 0.82 0.00 0.00 0.00 179.25 180.69 3ie7 h ILE 71 N 0.97 1.26 -0.59 0.00 2.04 -0.77 -2.35 117.51 118.07 3ie7 h ILE 71 Ca 0.18 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 3ie7 h ILE 71 Cb 0.50 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3ie7 h ILE 71 CO 0.02 0.35 0.28 -0.07 0.00 0.00 0.00 178.15 178.73 3ie7 h LEU 72 N 0.60 0.74 -0.76 1.44 3.38 -0.89 -1.77 115.31 118.05 3ie7 h LEU 72 Ca 0.12 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3ie7 h LEU 72 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3ie7 h LEU 72 CO 0.02 0.64 -0.37 0.50 0.09 0.00 0.00 178.44 179.32 3ie7 h LYS 73 N 0.83 0.51 0.00 1.13 3.64 -0.96 -0.04 116.57 121.67 3ie7 h LYS 73 Ca 0.20 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3ie7 h LYS 73 Cb 0.09 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3ie7 h LYS 73 CO -0.03 0.80 -0.10 0.93 -2.27 0.00 0.00 179.45 178.79 3ie7 h GLU 74 N 0.42 0.00 -0.11 1.90 5.08 -0.80 -1.86 114.58 119.22 3ie7 h GLU 74 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3ie7 h GLU 74 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3ie7 h GLU 74 CO 0.07 0.10 0.00 1.63 -1.00 0.00 0.00 179.01 179.81 3ie7 n LYS 75 N -3.39 2.20 -3.16 2.33 4.76 -0.82 -4.97 118.16 115.11 3ie7 n LYS 75 Ca -0.01 -1.94 -0.21 0.00 -2.87 0.00 0.00 58.31 53.28 3ie7 n LYS 75 Cb 0.27 -1.45 0.05 0.00 -1.84 0.00 0.00 35.03 32.06 3ie7 n LYS 75 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3ie7 n HIS 76 N 1.30 -2.13 -3.56 2.13 8.25 -0.55 -4.84 115.22 115.82 3ie7 n HIS 76 Ca 0.14 0.65 -0.39 0.00 -0.26 0.00 0.00 57.72 57.86 3ie7 n HIS 76 Cb 0.57 -4.42 -0.11 0.00 1.12 0.00 0.00 29.99 27.15 3ie7 n HIS 76 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3ie7 s ILE 77 N -3.19 5.22 0.24 1.59 1.01 -0.14 -4.83 121.20 121.11 3ie7 s ILE 77 Ca 0.38 -0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.70 3ie7 s ILE 77 Cb -0.17 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 3ie7 s ILE 77 CO 0.47 0.08 0.79 0.20 0.00 0.00 0.00 174.94 176.47 3ie7 s ASN 78 N 1.72 7.16 0.20 3.58 0.01 -1.26 -4.55 114.94 121.80 3ie7 s ASN 78 Ca 0.06 1.54 -0.09 0.00 -0.71 0.00 0.00 52.86 53.66 3ie7 s ASN 78 Cb -0.17 -2.47 -0.01 0.00 0.41 0.00 0.00 41.25 39.01 3ie7 s ASN 78 CO 0.10 0.02 0.34 -1.38 -1.51 0.00 0.00 177.10 174.67 3ie7 s HIS 79 N -1.52 0.49 -0.44 2.20 -3.43 -1.26 -0.76 115.29 110.58 3ie7 s HIS 79 Ca 0.44 -0.83 0.08 0.00 -0.80 0.00 0.00 55.06 53.95 3ie7 s HIS 79 Cb -0.18 -0.03 0.30 0.00 -1.43 0.00 0.00 32.58 31.24 3ie7 s HIS 79 CO 0.22 -0.82 0.88 -3.47 -2.00 0.00 0.00 174.74 169.55 3ie7 n ASP 80 N -0.29 -1.38 -4.79 7.38 2.03 -0.60 -4.88 116.55 114.03 3ie7 n ASP 80 Ca -0.04 -3.30 -0.35 0.00 0.52 0.00 0.00 54.79 51.63 3ie7 n ASP 80 Cb 0.63 0.94 -0.03 0.00 -0.72 0.00 0.00 41.12 41.94 3ie7 n ASP 80 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ie7 s PHE 81 N -0.46 3.04 0.33 -0.67 0.08 -1.26 -4.57 117.98 114.46 3ie7 s PHE 81 Ca 0.31 1.59 -0.09 0.00 0.12 0.00 0.00 56.93 58.86 3ie7 s PHE 81 Cb 0.27 -3.12 -0.06 0.00 -0.57 0.00 0.00 43.02 39.53 3ie7 s PHE 81 CO -0.11 -0.88 0.66 -0.51 -0.10 0.00 0.00 175.22 174.27 3ie7 s LEU 82 N -3.24 3.98 -0.07 -0.37 1.43 0.19 -4.94 118.68 115.67 3ie7 s LEU 82 Ca 0.65 0.97 0.04 0.00 -1.03 0.00 0.00 54.13 54.77 3ie7 s LEU 82 Cb -0.19 -3.81 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 3ie7 s LEU 82 CO 0.24 -0.26 -0.20 -0.69 0.23 0.00 0.00 176.35 175.66 3ie7 s VAL 83 N -2.15 2.47 -0.39 -1.59 1.01 -1.26 -1.40 120.40 117.09 3ie7 s VAL 83 Ca 0.48 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3ie7 s VAL 83 Cb -0.11 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.35 3ie7 s VAL 83 CO 0.28 0.57 0.27 -0.70 0.00 0.00 0.00 175.10 175.51 3ie7 s GLU 84 N -0.18 3.01 0.49 2.72 2.56 0.02 -4.94 118.70 122.38 3ie7 s GLU 84 Ca -0.02 -0.98 -0.23 0.00 0.00 0.00 0.00 54.97 53.74 3ie7 s GLU 84 Cb -0.14 -3.90 -0.07 0.00 2.00 0.00 0.00 34.13 32.03 3ie7 s GLU 84 CO 0.03 -0.69 1.30 0.00 -0.56 0.00 0.00 175.26 175.34 3ie7 s ALA 85 N 1.66 2.98 -1.21 6.30 0.00 -1.26 -2.08 121.76 128.15 3ie7 s ALA 85 Ca 0.04 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3ie7 s ALA 85 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3ie7 s ALA 85 CO 0.09 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.21 3ie7 n GLY 86 N 0.62 1.24 3.29 0.00 0.00 -1.26 -4.90 105.19 104.18 3ie7 n GLY 86 Ca 0.08 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 3ie7 n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ie7 s THR 87 N -2.37 0.73 -0.01 2.61 -4.23 -1.22 -4.98 115.64 106.17 3ie7 s THR 87 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 3ie7 s THR 87 Cb 0.00 -2.36 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 3ie7 s THR 87 CO 0.00 -0.27 -0.22 -0.44 -0.54 0.00 0.00 174.62 173.15 3ie7 s SER 88 N -3.26 2.59 0.22 3.99 0.01 -1.26 -1.22 113.70 114.78 3ie7 s SER 88 Ca 0.30 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.85 3ie7 s SER 88 Cb 0.07 -0.29 -0.10 0.00 0.21 0.00 0.00 66.02 65.91 3ie7 s SER 88 CO 0.09 0.27 1.49 -0.89 0.41 0.00 0.00 173.24 174.60 3ie7 s THR 89 N -0.53 2.62 0.71 1.44 2.01 -1.26 -4.65 115.64 115.96 3ie7 s THR 89 Ca 0.09 0.49 -0.16 0.00 0.31 0.00 0.00 61.69 62.41 3ie7 s THR 89 Cb -0.09 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.11 3ie7 s THR 89 CO -0.01 0.07 1.00 -2.11 -0.69 0.00 0.00 174.62 172.88 3ie7 n ARG 90 N 2.84 0.59 -4.92 4.92 1.85 -1.26 -4.72 116.66 115.96 3ie7 n ARG 90 Ca 0.09 0.26 -0.33 0.00 -1.00 0.00 0.00 57.85 56.87 3ie7 n ARG 90 Cb 0.40 -2.25 -0.14 0.00 -1.05 0.00 0.00 32.46 29.41 3ie7 n ARG 90 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3ie7 s GLU 91 N -3.30 2.93 -0.22 2.89 2.02 -1.26 -1.08 118.70 120.68 3ie7 s GLU 91 Ca 0.74 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.96 3ie7 s GLU 91 Cb -0.35 -2.45 -0.00 0.00 0.10 0.00 0.00 34.13 31.42 3ie7 s GLU 91 CO 0.49 0.38 -0.06 0.00 0.02 0.00 0.00 175.26 176.09 3ie7 s PHE 93 N 1.46 3.40 -0.25 0.00 0.08 0.04 -1.24 117.98 121.46 3ie7 s PHE 93 Ca 0.06 0.82 0.02 0.00 0.12 0.00 0.00 56.93 57.94 3ie7 s PHE 93 Cb -0.14 -2.67 0.05 0.00 -0.57 0.00 0.00 43.02 39.69 3ie7 s PHE 93 CO -0.04 -0.06 -0.10 0.08 -0.10 0.00 0.00 175.22 174.99 3ie7 s VAL 94 N 1.48 2.32 -0.28 -0.44 1.01 -0.52 0.16 120.40 124.13 3ie7 s VAL 94 Ca 0.25 -1.46 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 3ie7 s VAL 94 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3ie7 s VAL 94 CO 0.10 0.06 0.33 -0.69 0.00 0.00 0.00 175.10 174.90 3ie7 s VAL 95 N 1.16 5.20 0.25 2.92 1.01 0.07 -0.10 120.40 130.92 3ie7 s VAL 95 Ca -0.06 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3ie7 s VAL 95 Cb -0.19 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3ie7 s VAL 95 CO -0.06 0.14 0.22 -1.48 0.00 0.00 0.00 175.10 173.92 3ie7 s LEU 96 N 1.99 1.26 0.00 3.92 0.05 -0.71 -1.35 118.68 123.85 3ie7 s LEU 96 Ca 0.13 -1.47 -0.07 0.00 0.05 0.00 0.00 54.13 52.77 3ie7 s LEU 96 Cb -0.16 0.58 0.00 0.00 -2.05 0.00 0.00 46.19 44.57 3ie7 s LEU 96 CO 0.10 -0.95 0.13 -0.55 -0.55 0.00 0.00 176.35 174.54 3ie7 s SER 97 N -3.22 0.02 0.00 1.48 0.15 -1.26 -0.88 113.70 110.00 3ie7 s SER 97 Ca 0.38 -0.19 0.21 0.00 0.70 0.00 0.00 55.95 57.05 3ie7 s SER 97 Cb 0.05 0.21 0.96 0.00 -1.71 0.00 0.00 66.02 65.52 3ie7 s SER 97 CO 0.17 -0.35 1.68 0.47 1.20 0.00 0.00 173.24 176.40 3ie7 n ASP 98 N 1.53 0.00 0.05 5.45 8.00 -1.26 -2.71 116.55 127.60 3ie7 n ASP 98 Ca -0.22 0.33 0.11 0.00 0.71 0.00 0.00 54.79 55.72 3ie7 n ASP 98 Cb 0.56 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 3ie7 n ASP 98 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ie7 n ASP 99 N -1.43 0.52 -4.32 -2.24 8.00 -1.26 -5.00 116.55 110.82 3ie7 n ASP 99 Ca 0.07 0.06 -0.28 0.00 0.71 0.00 0.00 54.79 55.35 3ie7 n ASP 99 Cb 0.22 1.03 -0.08 0.00 -0.02 0.00 0.00 41.12 42.27 3ie7 n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ie7 s THR 100 N -3.36 0.80 -0.13 -3.53 -4.23 -1.10 -4.94 115.64 99.14 3ie7 s THR 100 Ca -0.02 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.65 3ie7 s THR 100 Cb 0.12 -2.30 -0.22 0.00 1.34 0.00 0.00 72.50 71.44 3ie7 s THR 100 CO 0.83 0.00 0.13 0.59 -0.54 0.00 0.00 174.62 175.63 3ie7 n ASN 101 N -1.29 0.89 -3.07 3.99 5.03 -1.26 -4.65 115.26 114.90 3ie7 n ASN 101 Ca -0.10 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.20 3ie7 n ASN 101 Cb 0.66 1.12 0.14 0.00 -1.02 0.00 0.00 39.78 40.67 3ie7 n ASN 101 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ie7 n GLY 102 N 1.86 -3.23 3.60 7.41 0.00 -1.26 -4.23 105.19 109.34 3ie7 n GLY 102 Ca -0.22 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 3ie7 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ie7 s SER 103 N -2.78 -0.75 0.28 1.61 1.04 -1.26 -4.63 113.70 107.21 3ie7 s SER 103 Ca 0.35 1.13 0.03 0.00 0.48 0.00 0.00 55.95 57.95 3ie7 s SER 103 Cb -0.05 1.53 0.03 0.00 0.10 0.00 0.00 66.02 67.63 3ie7 s SER 103 CO 0.28 -0.17 0.28 0.41 0.98 0.00 0.00 173.24 175.02 3ie7 n THR 104 N 4.41 0.00 0.00 2.02 -1.04 -0.46 -4.95 114.28 114.26 3ie7 n THR 104 Ca -0.16 -1.05 0.00 0.00 -2.04 0.00 0.00 64.05 60.80 3ie7 n THR 104 Cb 0.56 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 3ie7 n THR 104 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3ie7 n ILE 106 N -1.34 0.00 -3.62 12.58 5.41 0.12 -0.75 119.36 131.76 3ie7 n ILE 106 Ca 0.03 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.42 3ie7 n ILE 106 Cb 0.31 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.18 3ie7 n ILE 106 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3ie7 s PRO 107 N 0.00 3.74 0.38 0.38 0.04 -1.26 -0.78 135.00 137.50 3ie7 s PRO 107 Ca 0.00 0.17 -0.18 0.00 0.04 0.00 0.00 61.00 61.04 3ie7 s PRO 107 Cb 0.00 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 3ie7 s PRO 107 CO 0.00 0.65 0.85 -1.21 0.04 0.00 0.00 177.00 177.33 3ie7 s GLU 108 N -1.49 4.11 0.21 4.56 2.02 -0.98 -4.99 118.70 122.14 3ie7 s GLU 108 Ca 0.27 0.90 -0.07 0.00 0.02 0.00 0.00 54.97 56.08 3ie7 s GLU 108 Cb -0.14 -2.30 0.16 0.00 0.10 0.00 0.00 34.13 31.94 3ie7 s GLU 108 CO 0.14 0.05 1.72 0.00 0.02 0.00 0.00 175.26 177.19 3ie7 h ALA 109 N 2.03 0.97 0.00 5.21 0.00 -1.98 -3.45 119.26 122.04 3ie7 h ALA 109 Ca -0.48 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3ie7 h ALA 109 Cb 1.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ie7 h ALA 109 CO 0.63 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.94 3ie7 n GLY 110 N -0.64 2.62 4.01 0.00 0.00 -1.26 -4.54 105.19 105.38 3ie7 n GLY 110 Ca 0.05 -2.08 -0.19 0.00 0.00 0.00 0.00 46.02 43.80 3ie7 n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ie7 s PHE 111 N -2.30 2.43 -0.32 1.61 -0.12 -1.26 -4.67 117.98 113.34 3ie7 s PHE 111 Ca 0.00 -0.40 -0.22 0.00 -0.05 0.00 0.00 56.93 56.26 3ie7 s PHE 111 Cb 0.00 -2.45 -0.00 0.00 -0.63 0.00 0.00 43.02 39.94 3ie7 s PHE 111 CO 0.00 -0.74 0.72 0.99 -0.05 0.00 0.00 175.22 176.13 3ie7 s THR 112 N -2.54 4.84 0.13 -4.49 2.01 -1.26 -4.25 115.64 110.08 3ie7 s THR 112 Ca 0.58 0.94 -0.30 0.00 0.31 0.00 0.00 61.69 63.22 3ie7 s THR 112 Cb -0.09 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.25 3ie7 s THR 112 CO 0.36 -0.26 1.07 -0.69 -0.69 0.00 0.00 174.62 174.40 3ie7 s VAL 113 N 2.84 4.14 0.56 3.82 1.01 -1.26 -5.02 120.40 126.49 3ie7 s VAL 113 Ca 0.29 1.75 -0.18 0.00 0.00 0.00 0.00 61.98 63.84 3ie7 s VAL 113 Cb -0.14 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 3ie7 s VAL 113 CO 0.13 0.26 1.09 -0.94 0.00 0.00 0.00 175.10 175.65 3ie7 s SER 114 N 0.16 5.76 0.35 3.32 1.04 -1.26 -4.88 113.70 118.19 3ie7 s SER 114 Ca 0.50 2.03 0.04 0.00 0.48 0.00 0.00 55.95 58.99 3ie7 s SER 114 Cb -0.27 -2.56 0.67 0.00 0.10 0.00 0.00 66.02 63.96 3ie7 s SER 114 CO 0.32 -1.18 1.97 -0.61 0.98 0.00 0.00 173.24 174.72 3ie7 h GLN 115 N 0.94 0.81 -0.88 4.02 5.75 -1.99 -1.14 115.11 122.62 3ie7 h GLN 115 Ca -0.49 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.00 3ie7 h GLN 115 Cb 1.24 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 29.56 3ie7 h GLN 115 CO 0.57 0.54 0.57 1.15 -2.65 0.00 0.00 178.83 179.01 3ie7 h THR 116 N 0.84 1.14 -0.00 2.39 2.02 -1.99 0.28 112.91 117.58 3ie7 h THR 116 Ca 0.29 -0.38 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 3ie7 h THR 116 Cb 0.11 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 3ie7 h THR 116 CO -0.09 0.20 -0.80 0.78 0.37 0.00 0.00 175.52 175.98 3ie7 h ASN 117 N 1.10 0.05 -0.47 4.18 2.35 -1.62 0.76 115.58 121.93 3ie7 h ASN 117 Ca 0.35 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 3ie7 h ASN 117 Cb 0.02 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3ie7 h ASN 117 CO -0.12 0.82 0.11 0.11 -1.65 0.00 0.00 177.43 176.70 3ie7 h LYS 118 N 0.02 0.76 -0.37 0.81 1.57 -0.65 -1.14 116.57 117.56 3ie7 h LYS 118 Ca -0.01 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.45 3ie7 h LYS 118 Cb 1.41 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 3ie7 h LYS 118 CO 0.11 0.75 -0.28 -0.44 -0.57 0.00 0.00 179.45 179.01 3ie7 h ASP 119 N 0.64 0.82 -0.36 0.86 3.32 -0.85 -3.03 116.42 117.82 3ie7 h ASP 119 Ca 0.15 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 3ie7 h ASP 119 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3ie7 h ASP 119 CO 0.00 1.05 0.06 0.78 -1.72 0.00 0.00 179.24 179.40 3ie7 h ASN 120 N 0.67 0.64 -0.63 6.45 2.35 -0.51 -1.98 115.58 122.58 3ie7 h ASN 120 Ca 0.08 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 3ie7 h ASN 120 Cb 0.81 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 3ie7 h ASN 120 CO 0.07 0.67 0.24 0.25 -1.65 0.00 0.00 177.43 177.01 3ie7 h LEU 121 N 0.66 0.89 -0.43 1.61 5.85 -1.10 0.94 115.31 123.73 3ie7 h LEU 121 Ca 0.14 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 3ie7 h LEU 121 Cb 0.33 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3ie7 h LEU 121 CO 0.01 0.83 0.10 -0.07 -0.34 0.00 0.00 178.44 178.96 3ie7 h LEU 122 N 0.90 0.66 -0.85 2.25 3.38 -1.38 -0.29 115.31 119.98 3ie7 h LEU 122 Ca 0.21 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3ie7 h LEU 122 Cb 0.23 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3ie7 h LEU 122 CO -0.01 0.73 0.02 0.11 0.09 0.00 0.00 178.44 179.38 3ie7 h LYS 123 N 0.56 0.88 -0.36 1.13 1.57 -1.16 -1.46 116.57 117.72 3ie7 h LYS 123 Ca 0.13 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3ie7 h LYS 123 Cb 0.33 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3ie7 h LYS 123 CO 0.00 0.86 0.14 0.37 -0.57 0.00 0.00 179.45 180.26 3ie7 h GLN 124 N 0.82 0.55 -0.52 3.15 4.15 -0.48 -2.33 115.11 120.45 3ie7 h GLN 124 Ca 0.16 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3ie7 h GLN 124 Cb 0.46 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 3ie7 h GLN 124 CO 0.02 0.53 0.26 0.82 -1.93 0.00 0.00 178.83 178.53 3ie7 h ILE 125 N 0.44 1.19 -0.56 2.39 2.04 -0.83 -0.46 117.51 121.72 3ie7 h ILE 125 Ca 0.12 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.47 3ie7 h ILE 125 Cb 0.20 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3ie7 h ILE 125 CO -0.01 0.21 0.37 0.00 0.00 0.00 0.00 178.15 178.73 3ie7 h ALA 126 N 1.09 1.68 0.00 1.87 0.00 -1.06 -1.42 119.26 121.42 3ie7 h ALA 126 Ca 0.18 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3ie7 h ALA 126 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3ie7 h ALA 126 CO -0.02 0.27 -1.36 0.87 0.00 0.00 0.00 179.25 179.01 3ie7 h LYS 127 N 0.68 0.00 0.00 0.00 1.57 -1.18 -3.41 116.57 114.23 3ie7 h LYS 127 Ca 0.22 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 3ie7 h LYS 127 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3ie7 h LYS 127 CO -0.05 0.27 -0.67 0.87 -0.57 0.00 0.00 179.45 179.30 3ie7 h LYS 128 N 0.00 0.00 -6.48 3.15 1.57 -0.82 -3.48 116.57 110.51 3ie7 h LYS 128 Ca -0.15 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.10 3ie7 h LYS 128 Cb 1.54 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.86 3ie7 h LYS 128 CO 0.04 0.47 0.63 0.08 -0.57 0.00 0.00 179.45 180.10 3ie7 s VAL 129 N -2.20 3.85 0.29 0.50 1.01 -0.56 -5.05 120.40 118.25 3ie7 s VAL 129 Ca -0.19 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.19 3ie7 s VAL 129 Cb 0.03 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3ie7 s VAL 129 CO 0.38 0.09 0.14 -0.54 0.00 0.00 0.00 175.10 175.16 3ie7 s LYS 130 N 1.24 2.56 0.57 2.72 -0.14 -1.26 -4.88 119.74 120.55 3ie7 s LYS 130 Ca 0.60 -1.33 0.26 0.00 -1.36 0.00 0.00 55.97 54.14 3ie7 s LYS 130 Cb -0.31 -2.33 1.62 0.00 -1.68 0.00 0.00 37.83 35.13 3ie7 s LYS 130 CO 0.29 0.27 2.19 1.57 -0.76 0.00 0.00 175.35 178.90 3ie7 h LYS 131 N 1.58 0.00 -0.00 1.68 2.10 -1.81 -0.96 116.57 119.16 3ie7 h LYS 131 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3ie7 h LYS 131 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3ie7 h LYS 131 CO 0.61 0.00 -0.04 -0.85 -2.00 0.00 0.00 179.45 177.17 3ie7 n GLU 132 N -4.06 0.67 0.00 0.07 0.00 -1.26 -3.90 120.64 112.17 3ie7 n GLU 132 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.02 3ie7 n GLU 132 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.09 3ie7 n GLU 132 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ie7 n ASP 133 N -1.06 0.00 -3.62 -1.84 8.00 -0.37 -4.59 116.55 113.08 3ie7 n ASP 133 Ca 0.16 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.67 3ie7 n ASP 133 Cb 0.23 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 3ie7 n ASP 133 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ie7 s VAL 135 N 1.40 -0.02 -0.20 2.53 1.01 0.09 -1.93 120.40 123.29 3ie7 s VAL 135 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3ie7 s VAL 135 Cb 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.41 3ie7 s VAL 135 CO 0.00 0.00 -0.18 -0.69 0.00 0.00 0.00 175.10 174.23 3ie7 s VAL 136 N 1.25 2.05 -0.23 2.92 1.01 0.68 -0.84 120.40 127.24 3ie7 s VAL 136 Ca -0.08 -1.08 -0.10 0.00 0.00 0.00 0.00 61.98 60.72 3ie7 s VAL 136 Cb -0.03 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 3ie7 s VAL 136 CO -0.12 0.40 0.14 -0.63 0.00 0.00 0.00 175.10 174.89 3ie7 s ILE 137 N 1.26 5.21 -0.03 2.22 1.01 -0.26 -0.68 121.20 129.93 3ie7 s ILE 137 Ca 0.02 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 3ie7 s ILE 137 Cb -0.15 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.92 3ie7 s ILE 137 CO -0.11 0.37 0.08 0.00 0.00 0.00 0.00 174.94 175.28 3ie7 s ALA 138 N 0.93 -0.19 0.00 9.38 0.00 -1.17 -1.19 121.76 129.51 3ie7 s ALA 138 Ca 0.07 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.29 3ie7 s ALA 138 Cb -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3ie7 s ALA 138 CO 0.03 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3ie7 n GLY 139 N 3.18 2.07 3.79 0.00 0.00 -1.02 -3.16 105.19 110.04 3ie7 n GLY 139 Ca -0.14 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 3ie7 n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ie7 s SER 140 N -0.07 6.49 0.79 1.61 0.01 -1.26 -4.87 113.70 116.40 3ie7 s SER 140 Ca 0.00 1.97 -0.12 0.00 1.31 0.00 0.00 55.95 59.11 3ie7 s SER 140 Cb 0.00 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.73 3ie7 s SER 140 CO 0.00 -0.67 1.13 -2.84 0.41 0.00 0.00 173.24 171.27 3ie7 s PRO 141 N -2.96 1.95 1.02 12.44 0.02 -1.26 -4.38 135.00 141.83 3ie7 s PRO 141 Ca 0.64 1.43 -0.14 0.00 0.02 0.00 0.00 61.00 62.94 3ie7 s PRO 141 Cb -0.18 -1.84 0.20 0.00 0.02 0.00 0.00 34.50 32.69 3ie7 s PRO 141 CO 0.23 -1.91 1.12 -1.25 -0.33 0.00 0.00 177.00 174.85 3ie7 s PRO 142 N -4.52 0.26 0.25 5.54 0.04 -1.26 -4.88 135.00 130.43 3ie7 s PRO 142 Ca 0.66 0.28 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 3ie7 s PRO 142 Cb -0.22 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 3ie7 s PRO 142 CO 0.52 -2.79 1.42 -2.30 0.04 0.00 0.00 177.00 173.89 3ie7 n PRO 143 N -4.18 2.12 -1.02 0.56 -0.02 -1.26 -2.13 135.00 129.08 3ie7 n PRO 143 Ca 0.07 0.75 -0.01 0.00 -2.02 0.00 0.00 63.50 62.30 3ie7 n PRO 143 Cb 0.58 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3ie7 n PRO 143 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3ie7 n HIS 144 N 1.85 0.00 -3.23 6.00 8.25 -1.26 -4.51 115.22 122.32 3ie7 n HIS 144 Ca 0.11 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.11 3ie7 n HIS 144 Cb 0.32 -0.64 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 3ie7 n HIS 144 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3ie7 s TYR 145 N -1.76 3.36 1.08 4.41 5.04 -0.91 -4.96 117.35 123.62 3ie7 s TYR 145 Ca 0.00 -1.48 -0.14 0.00 -2.44 0.00 0.00 57.07 53.01 3ie7 s TYR 145 Cb 0.00 -3.91 0.23 0.00 0.35 0.00 0.00 41.96 38.63 3ie7 s TYR 145 CO 0.00 -1.13 1.07 0.95 -1.34 0.00 0.00 175.55 175.10 3ie7 s THR 146 N 1.46 1.94 0.32 4.34 -4.23 -1.26 -4.78 115.64 113.42 3ie7 s THR 146 Ca 0.14 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 3ie7 s THR 146 Cb -0.18 -2.38 0.14 0.00 1.34 0.00 0.00 72.50 71.42 3ie7 s THR 146 CO -0.02 0.00 1.84 -0.07 -0.54 0.00 0.00 174.62 175.83 3ie7 h LEU 147 N -2.23 0.54 -0.53 4.79 3.38 -1.99 -0.91 115.31 118.35 3ie7 h LEU 147 Ca -0.56 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.23 3ie7 h LEU 147 Cb 1.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3ie7 h LEU 147 CO 0.53 0.62 0.07 -1.28 0.09 0.00 0.00 178.44 178.47 3ie7 h SER 148 N 0.54 0.86 -0.64 -0.43 0.87 -1.99 0.28 113.55 113.04 3ie7 h SER 148 Ca 0.11 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 3ie7 h SER 148 Cb 0.38 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 3ie7 h SER 148 CO 0.02 0.92 0.25 0.44 -0.53 0.00 0.00 176.83 177.92 3ie7 h ASP 149 N 0.78 0.89 -0.55 6.23 3.32 -1.73 -2.00 116.42 123.36 3ie7 h ASP 149 Ca 0.16 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3ie7 h ASP 149 Cb 0.43 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3ie7 h ASP 149 CO 0.01 0.82 0.05 0.15 -1.72 0.00 0.00 179.24 178.55 3ie7 h PHE 150 N 0.90 1.04 -0.46 4.55 3.57 -0.90 -1.74 116.94 123.90 3ie7 h PHE 150 Ca 0.21 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3ie7 h PHE 150 Cb 0.22 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3ie7 h PHE 150 CO 0.01 0.90 0.28 -0.22 -2.23 0.00 0.00 178.31 177.06 3ie7 h LYS 151 N 0.91 0.55 -0.88 1.11 3.64 -0.60 -0.03 116.57 121.27 3ie7 h LYS 151 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3ie7 h LYS 151 Cb 0.46 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 3ie7 h LYS 151 CO 0.02 0.37 0.56 0.93 -2.27 0.00 0.00 179.45 179.05 3ie7 h GLU 152 N 0.57 1.17 0.04 1.90 5.08 -0.95 -0.46 114.58 121.93 3ie7 h GLU 152 Ca 0.18 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3ie7 h GLU 152 Cb -0.01 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.99 3ie7 h GLU 152 CO -0.07 0.79 -0.02 1.25 -1.00 0.00 0.00 179.01 179.96 3ie7 h LEU 153 N 1.20 -0.04 -0.78 1.33 5.85 -0.72 -0.04 115.31 122.11 3ie7 h LEU 153 Ca 0.32 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3ie7 h LEU 153 Cb -0.10 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3ie7 h LEU 153 CO -0.07 0.04 0.51 -0.07 -0.34 0.00 0.00 178.44 178.52 3ie7 h LEU 154 N -0.13 0.90 -0.72 2.25 3.38 -0.70 -1.60 115.31 118.68 3ie7 h LEU 154 Ca -0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3ie7 h LEU 154 Cb 0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3ie7 h LEU 154 CO 0.01 0.66 0.24 -0.09 0.09 0.00 0.00 178.44 179.35 3ie7 h ARG 155 N 1.06 1.11 -0.64 1.13 2.43 -0.89 0.07 114.38 118.65 3ie7 h ARG 155 Ca 0.28 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3ie7 h ARG 155 Cb -0.11 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.25 3ie7 h ARG 155 CO -0.06 0.94 0.30 1.15 -1.51 0.00 0.00 179.97 180.80 3ie7 h THR 156 N 1.05 1.22 -0.45 0.20 2.02 -0.57 -1.29 112.91 115.09 3ie7 h THR 156 Ca 0.23 -0.62 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 3ie7 h THR 156 Cb 0.29 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3ie7 h THR 156 CO -0.01 0.26 -0.01 0.58 0.37 0.00 0.00 175.52 176.71 3ie7 h VAL 157 N 0.88 1.26 -0.72 3.16 2.07 -0.98 -2.98 116.25 118.94 3ie7 h VAL 157 Ca 0.22 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3ie7 h VAL 157 Cb 0.12 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3ie7 h VAL 157 CO -0.03 0.37 0.47 0.11 0.02 0.00 0.00 177.57 178.51 3ie7 h LYS 158 N 0.64 0.95 0.00 1.57 1.57 -0.61 -2.05 116.57 118.65 3ie7 h LYS 158 Ca 0.13 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3ie7 h LYS 158 Cb 0.51 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3ie7 h LYS 158 CO 0.03 0.64 -0.08 0.00 -0.57 0.00 0.00 179.45 179.46 3ie7 h ALA 159 N 1.54 1.34 0.00 3.86 0.00 -1.09 -1.95 119.26 122.97 3ie7 h ALA 159 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ie7 h ALA 159 Cb -0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ie7 h ALA 159 CO -0.06 0.10 -0.05 1.79 0.00 0.00 0.00 179.25 181.04 3ie7 h THR 160 N 0.00 0.10 0.00 0.00 1.35 -1.37 -3.47 112.91 109.52 3ie7 h THR 160 Ca -0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3ie7 h THR 160 Cb 0.23 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3ie7 h THR 160 CO 0.01 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 3ie7 n GLY 161 N 0.50 1.43 3.73 5.82 0.00 -0.73 -2.72 105.19 113.22 3ie7 n GLY 161 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3ie7 n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie7 s ALA 162 N -2.84 2.10 0.30 4.61 0.00 -1.25 -4.75 121.76 119.93 3ie7 s ALA 162 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 3ie7 s ALA 162 Cb 0.00 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 3ie7 s ALA 162 CO 0.00 -1.88 1.39 0.12 0.00 0.00 0.00 175.76 175.39 3ie7 s PHE 163 N -2.36 2.97 -0.13 0.00 5.36 -0.81 -4.87 117.98 118.14 3ie7 s PHE 163 Ca 0.69 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.86 3ie7 s PHE 163 Cb -0.24 -3.79 0.02 0.00 -0.34 0.00 0.00 43.02 38.68 3ie7 s PHE 163 CO 0.49 -2.38 -0.12 -1.17 -1.46 0.00 0.00 175.22 170.58 3ie7 s LEU 164 N -1.16 1.49 -0.03 6.12 2.96 -1.26 -0.73 118.68 126.06 3ie7 s LEU 164 Ca 0.54 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 54.10 3ie7 s LEU 164 Cb -0.42 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 3ie7 s LEU 164 CO 0.50 -0.08 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.43 3ie7 s GLY 165 N 1.53 1.42 -0.09 7.98 0.00 -0.02 -0.29 107.32 117.85 3ie7 s GLY 165 Ca 0.04 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 43.71 3ie7 s GLY 165 CO -0.09 -0.85 -0.05 0.00 0.00 0.00 0.00 173.10 172.10 3ie7 s ASP 167 N 1.55 5.38 0.39 0.00 -1.08 -0.33 -3.76 116.67 118.81 3ie7 s ASP 167 Ca 0.00 -3.54 0.04 0.00 -0.52 0.00 0.00 52.55 48.53 3ie7 s ASP 167 Cb -0.13 -1.80 -0.03 0.00 -1.46 0.00 0.00 42.92 39.50 3ie7 s ASP 167 CO -0.05 -0.19 0.12 0.20 0.52 0.00 0.00 175.17 175.77 3ie7 s ASN 168 N -0.38 2.67 0.38 -0.34 0.01 -1.26 -2.42 114.94 113.59 3ie7 s ASN 168 Ca 0.24 -1.62 0.05 0.00 -0.71 0.00 0.00 52.86 50.82 3ie7 s ASN 168 Cb -0.10 0.41 -0.03 0.00 0.41 0.00 0.00 41.25 41.94 3ie7 s ASN 168 CO -0.11 -0.88 0.19 -0.94 -1.51 0.00 0.00 177.10 173.86 3ie7 s SER 169 N -3.58 2.31 0.59 -1.22 1.04 -1.26 -4.57 113.70 107.01 3ie7 s SER 169 Ca 0.26 -1.71 0.00 0.00 0.48 0.00 0.00 55.95 54.98 3ie7 s SER 169 Cb 0.04 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3ie7 s SER 169 CO 0.15 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.98 3ie7 n GLY 170 N -0.79 2.30 0.24 7.32 0.00 -1.26 -1.77 105.19 111.23 3ie7 n GLY 170 Ca -0.01 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.83 3ie7 n GLY 170 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ie7 h GLU 171 N 0.00 0.00 -0.40 1.61 4.39 -1.99 -1.64 114.58 116.56 3ie7 h GLU 171 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 3ie7 h GLU 171 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3ie7 h GLU 171 CO 0.00 0.13 -0.24 1.88 -1.16 0.00 0.00 179.01 179.63 3ie7 h TYR 172 N 0.00 1.01 -0.34 4.33 0.05 -1.85 -0.94 116.97 119.22 3ie7 h TYR 172 Ca -0.00 -0.26 -0.07 0.00 0.05 0.00 0.00 58.73 58.44 3ie7 h TYR 172 Cb 0.25 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3ie7 h TYR 172 CO 0.00 1.05 -0.07 1.25 -1.05 0.00 0.00 178.16 179.34 3ie7 h LEU 173 N 0.68 0.66 -0.50 3.88 5.85 -0.88 -1.86 115.31 123.14 3ie7 h LEU 173 Ca 0.08 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.50 3ie7 h LEU 173 Cb 0.80 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3ie7 h LEU 173 CO 0.07 0.86 0.23 0.78 -0.34 0.00 0.00 178.44 180.04 3ie7 h ASN 174 N 0.44 0.32 -0.56 1.25 2.35 -1.20 -1.63 115.58 116.55 3ie7 h ASN 174 Ca 0.09 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3ie7 h ASN 174 Cb 0.57 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 3ie7 h ASN 174 CO 0.03 0.22 0.21 0.25 -1.65 0.00 0.00 177.43 176.49 3ie7 h LEU 175 N 0.46 0.78 -0.64 1.61 5.85 -1.06 -1.26 115.31 121.04 3ie7 h LEU 175 Ca 0.23 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3ie7 h LEU 175 Cb 0.16 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3ie7 h LEU 175 CO -0.18 0.75 0.41 0.00 -0.34 0.00 0.00 178.44 179.08 3ie7 h ALA 176 N 1.06 0.83 -0.47 1.25 0.00 -0.88 -2.53 119.26 118.52 3ie7 h ALA 176 Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ie7 h ALA 176 Cb 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ie7 h ALA 176 CO -0.01 0.19 0.09 0.28 0.00 0.00 0.00 179.25 179.79 3ie7 h VAL 177 N 0.82 1.25 0.00 0.00 2.07 -1.05 -0.76 116.25 118.57 3ie7 h VAL 177 Ca 0.25 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3ie7 h VAL 177 Cb -0.03 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3ie7 h VAL 177 CO -0.08 0.32 0.00 -0.62 0.02 0.00 0.00 177.57 177.20 3ie7 n GLU 178 N -4.45 0.21 -3.15 1.57 1.02 -0.50 -4.58 120.64 110.76 3ie7 n GLU 178 Ca 0.01 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.19 3ie7 n GLU 178 Cb 0.24 -1.23 -0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3ie7 n GLU 178 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ie7 s GLY 180 N -0.05 -1.12 0.26 0.62 0.00 -0.29 -5.10 107.32 101.64 3ie7 s GLY 180 Ca 0.00 1.45 0.06 0.00 0.00 0.00 0.00 44.72 46.22 3ie7 s GLY 180 CO 0.00 3.67 -0.04 -1.34 0.00 0.00 0.00 173.10 175.39 3ie7 s VAL 181 N 2.86 1.43 -0.00 1.40 -7.23 -1.22 -5.03 120.40 112.61 3ie7 s VAL 181 Ca 0.14 -2.09 0.11 0.00 -1.81 0.00 0.00 61.98 58.33 3ie7 s VAL 181 Cb -0.10 -2.41 -0.20 0.00 0.56 0.00 0.00 36.38 34.24 3ie7 s VAL 181 CO -0.24 -0.31 0.94 0.44 -0.31 0.00 0.00 175.10 175.62 3ie7 h ASP 182 N 2.35 0.00 -3.78 4.85 3.32 -1.01 -3.39 116.42 118.75 3ie7 h ASP 182 Ca -0.39 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.51 3ie7 h ASP 182 Cb 1.23 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.52 3ie7 h ASP 182 CO 0.66 0.93 -0.37 0.12 -1.72 0.00 0.00 179.24 178.86 3ie7 s PHE 183 N -2.69 -0.35 0.03 4.55 5.36 -0.97 -0.81 117.98 123.10 3ie7 s PHE 183 Ca -0.02 0.84 -0.04 0.00 -0.96 0.00 0.00 56.93 56.75 3ie7 s PHE 183 Cb 0.09 0.12 -0.01 0.00 -0.34 0.00 0.00 43.02 42.87 3ie7 s PHE 183 CO 0.82 -0.17 0.07 0.96 -1.46 0.00 0.00 175.22 175.43 3ie7 s ILE 184 N 0.30 0.13 -0.39 3.12 -4.36 -1.15 -0.18 121.20 118.66 3ie7 s ILE 184 Ca -0.01 -1.08 0.08 0.00 -0.26 0.00 0.00 60.65 59.38 3ie7 s ILE 184 Cb -0.03 -0.79 0.25 0.00 1.25 0.00 0.00 42.46 43.15 3ie7 s ILE 184 CO -0.01 -0.60 0.53 1.17 0.24 0.00 0.00 174.94 176.28 3ie7 n LYS 185 N 0.93 0.76 -2.43 0.37 4.81 -1.25 -2.31 118.16 119.05 3ie7 n LYS 185 Ca -0.20 -3.26 -0.37 0.00 -0.87 0.00 0.00 58.31 53.61 3ie7 n LYS 185 Cb 0.58 -1.25 -0.03 0.00 0.02 0.00 0.00 35.03 34.34 3ie7 n LYS 185 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3ie7 s PRO 186 N -1.26 4.13 0.61 1.64 0.04 -1.15 -4.72 135.00 134.28 3ie7 s PRO 186 Ca 0.35 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 62.98 3ie7 s PRO 186 Cb 0.18 -2.63 0.14 0.00 0.04 0.00 0.00 34.50 32.22 3ie7 s PRO 186 CO -0.11 -0.21 0.83 0.27 0.04 0.00 0.00 177.00 177.82 3ie7 n ASN 187 N 0.05 0.23 0.08 6.66 0.23 -1.26 -1.39 115.26 119.86 3ie7 n ASN 187 Ca 0.04 -1.40 0.13 0.00 -0.53 0.00 0.00 54.58 52.83 3ie7 n ASN 187 Cb 0.48 -0.62 0.62 0.00 -2.08 0.00 0.00 39.78 38.19 3ie7 n ASN 187 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3ie7 h GLU 188 N 0.00 0.10 0.12 -3.83 4.81 -1.28 -1.74 114.58 112.76 3ie7 h GLU 188 Ca -0.27 -0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 58.66 3ie7 h GLU 188 Cb 0.78 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 3ie7 h GLU 188 CO 0.21 0.07 -1.56 -0.44 -0.73 0.00 0.00 179.01 176.55 3ie7 h ASP 189 N 0.10 0.39 -0.19 1.04 3.32 -1.92 -3.38 116.42 115.79 3ie7 h ASP 189 Ca 0.16 -0.86 -0.03 0.00 0.02 0.00 0.00 57.03 56.32 3ie7 h ASP 189 Cb 0.50 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3ie7 h ASP 189 CO -0.02 1.68 0.02 -0.33 -1.72 0.00 0.00 179.24 178.88 3ie7 h GLU 190 N -0.23 0.42 0.00 3.56 5.08 -1.86 -2.73 114.58 118.82 3ie7 h GLU 190 Ca -0.34 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3ie7 h GLU 190 Cb 1.82 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 3ie7 h GLU 190 CO 0.06 0.43 -0.01 -0.24 -1.00 0.00 0.00 179.01 178.25 3ie7 h VAL 191 N 0.41 0.20 -0.95 3.13 3.04 -1.49 -2.43 116.25 118.16 3ie7 h VAL 191 Ca 0.09 -0.07 0.10 0.00 -1.01 0.00 0.00 66.70 65.82 3ie7 h VAL 191 Cb 0.24 1.06 -0.07 0.00 -2.01 0.00 0.00 31.29 30.50 3ie7 h VAL 191 CO 0.00 0.01 0.61 0.40 -1.01 0.00 0.00 177.57 177.58 3ie7 h ILE 192 N 0.00 0.96 -0.50 3.17 2.04 -1.69 -1.59 117.51 119.90 3ie7 h ILE 192 Ca -0.00 -0.33 0.14 0.00 1.00 0.00 0.00 64.86 65.68 3ie7 h ILE 192 Cb 0.06 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.04 3ie7 h ILE 192 CO 0.00 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.71 3ie7 h ALA 193 N 1.54 2.39 -0.27 1.87 0.00 -1.65 -1.88 119.26 121.25 3ie7 h ALA 193 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3ie7 h ALA 193 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ie7 h ALA 193 CO -0.21 -0.64 0.00 0.44 0.00 0.00 0.00 179.25 178.84 3ie7 n ILE 194 N -4.20 1.19 -2.98 0.00 -5.35 -0.62 -4.91 119.36 102.49 3ie7 n ILE 194 Ca 0.09 -1.15 -0.32 0.00 -0.27 0.00 0.00 62.75 61.11 3ie7 n ILE 194 Cb 0.60 0.38 -0.05 0.00 -1.74 0.00 0.00 39.64 38.84 3ie7 n ILE 194 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3ie7 s LEU 195 N -1.28 3.94 -0.38 7.28 1.02 -0.71 -5.03 118.68 123.52 3ie7 s LEU 195 Ca 0.22 1.24 -0.19 0.00 0.02 0.00 0.00 54.13 55.43 3ie7 s LEU 195 Cb 0.13 -4.08 0.01 0.00 0.02 0.00 0.00 46.19 42.27 3ie7 s LEU 195 CO 0.12 -0.31 0.53 -0.62 0.02 0.00 0.00 176.35 176.10 3ie7 s ASP 196 N -2.68 6.30 0.37 2.29 2.15 -1.26 -4.95 116.67 118.89 3ie7 s ASP 196 Ca 0.53 -0.20 0.13 0.00 0.43 0.00 0.00 52.55 53.44 3ie7 s ASP 196 Cb -0.10 -2.27 0.94 0.00 -0.30 0.00 0.00 42.92 41.18 3ie7 s ASP 196 CO 0.24 -0.57 1.81 -0.33 -0.17 0.00 0.00 175.17 176.14 3ie7 h GLU 197 N 8.60 0.54 0.00 4.34 5.08 -1.96 0.10 114.58 131.29 3ie7 h GLU 197 Ca -0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3ie7 h GLU 197 Cb 1.12 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3ie7 h GLU 197 CO 0.81 0.36 0.00 1.63 -1.00 0.00 0.00 179.01 180.81 3ie7 n LYS 198 N -4.63 0.61 -3.85 2.33 5.02 -1.26 -4.43 118.16 111.94 3ie7 n LYS 198 Ca 0.22 0.02 -0.36 0.00 -2.02 0.00 0.00 58.31 56.17 3ie7 n LYS 198 Cb 0.68 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.06 3ie7 n LYS 198 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3ie7 s THR 199 N -2.31 3.16 0.06 -0.18 2.01 0.36 -5.00 115.64 113.74 3ie7 s THR 199 Ca 0.33 -1.57 -0.18 0.00 0.31 0.00 0.00 61.69 60.59 3ie7 s THR 199 Cb 0.19 -2.93 -0.14 0.00 0.01 0.00 0.00 72.50 69.63 3ie7 s THR 199 CO 0.37 -0.30 1.32 0.78 -0.69 0.00 0.00 174.62 176.11 3ie7 h ASN 200 N 8.03 0.59 -2.70 3.53 -0.26 -1.79 -3.43 115.58 119.55 3ie7 h ASN 200 Ca -0.19 -0.54 -0.53 0.00 -0.56 0.00 0.00 56.30 54.48 3ie7 h ASN 200 Cb 1.06 -0.17 0.02 0.00 -1.06 0.00 0.00 38.32 38.17 3ie7 h ASN 200 CO 0.59 1.02 0.98 -0.55 -1.06 0.00 0.00 177.43 178.41 3ie7 s SER 201 N -6.47 6.60 0.11 5.81 0.15 -1.26 -4.92 113.70 113.72 3ie7 s SER 201 Ca -0.13 2.50 -0.15 0.00 0.70 0.00 0.00 55.95 58.88 3ie7 s SER 201 Cb 0.06 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 3ie7 s SER 201 CO 0.80 -0.88 1.50 0.25 1.20 0.00 0.00 173.24 176.11 3ie7 h LEU 202 N 8.33 0.73 -0.38 3.45 5.85 -1.99 -1.30 115.31 130.00 3ie7 h LEU 202 Ca -0.43 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 57.94 3ie7 h LEU 202 Cb 1.20 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 3ie7 h LEU 202 CO 0.93 0.96 0.16 -0.33 -0.34 0.00 0.00 178.44 179.82 3ie7 h GLU 203 N 0.50 0.33 -0.62 1.25 5.08 -1.99 0.99 114.58 120.12 3ie7 h GLU 203 Ca 0.08 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3ie7 h GLU 203 Cb 0.67 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3ie7 h GLU 203 CO 0.05 0.22 0.28 1.49 -1.00 0.00 0.00 179.01 180.04 3ie7 h GLU 204 N 0.34 0.91 -0.69 2.33 4.57 -1.94 0.96 114.58 121.07 3ie7 h GLU 204 Ca 0.16 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3ie7 h GLU 204 Cb 0.10 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 3ie7 h GLU 204 CO -0.14 0.75 0.44 -0.91 -1.18 0.00 0.00 179.01 177.97 3ie7 h ASN 205 N 0.86 0.80 -0.45 1.04 2.35 -0.70 0.25 115.58 119.72 3ie7 h ASN 205 Ca 0.21 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3ie7 h ASN 205 Cb 0.16 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3ie7 h ASN 205 CO -0.02 0.60 0.06 0.40 -1.65 0.00 0.00 177.43 176.82 3ie7 h ILE 206 N 0.93 1.25 -0.43 2.81 2.04 -0.30 -0.46 117.51 123.36 3ie7 h ILE 206 Ca 0.25 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 3ie7 h ILE 206 Cb -0.08 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3ie7 h ILE 206 CO -0.05 0.32 0.09 0.03 0.00 0.00 0.00 178.15 178.54 3ie7 h ARG 207 N 0.62 0.64 -0.10 2.37 3.08 -0.45 0.15 114.38 120.70 3ie7 h ARG 207 Ca 0.14 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3ie7 h ARG 207 Cb 0.40 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3ie7 h ARG 207 CO 0.01 0.59 -0.09 1.15 -1.07 0.00 0.00 179.97 180.57 3ie7 h THR 208 N 0.62 1.35 0.00 2.04 2.02 -0.59 -3.03 112.91 115.33 3ie7 h THR 208 Ca 0.14 -1.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.06 3ie7 h THR 208 Cb 0.25 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 3ie7 h THR 208 CO -0.00 0.35 -0.19 -0.07 0.37 0.00 0.00 175.52 175.98 3ie7 h LEU 209 N -0.17 0.00 -2.04 2.58 3.38 -0.91 -2.25 115.31 115.90 3ie7 h LEU 209 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ie7 h LEU 209 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3ie7 h LEU 209 CO 0.02 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.74 3ie7 h ALA 210 N 1.81 1.00 0.00 1.53 0.00 -0.83 -0.75 119.26 122.02 3ie7 h ALA 210 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3ie7 h ALA 210 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ie7 h ALA 210 CO 0.02 0.00 -0.28 0.93 0.00 0.00 0.00 179.25 179.92 3ie7 h GLU 211 N 0.00 0.00 -0.00 0.00 4.39 -1.47 -3.16 114.58 114.34 3ie7 h GLU 211 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ie7 h GLU 211 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3ie7 h GLU 211 CO 0.00 0.28 -0.62 1.63 -1.16 0.00 0.00 179.01 179.15 3ie7 n LYS 212 N -4.07 1.95 -3.83 2.33 5.02 -0.32 -4.92 118.16 114.32 3ie7 n LYS 212 Ca -0.02 -0.20 -0.28 0.00 -2.02 0.00 0.00 58.31 55.80 3ie7 n LYS 212 Cb 0.34 -1.22 -0.16 0.00 -0.02 0.00 0.00 35.03 33.96 3ie7 n LYS 212 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ie7 s ILE 213 N -2.29 0.87 0.20 -0.18 1.01 -1.04 -4.58 121.20 115.20 3ie7 s ILE 213 Ca 0.08 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 3ie7 s ILE 213 Cb 0.12 -1.17 0.15 0.00 0.01 0.00 0.00 42.46 41.57 3ie7 s ILE 213 CO 0.56 -0.00 1.70 -0.65 0.00 0.00 0.00 174.94 176.55 3ie7 h PRO 214 N 8.17 0.20 -4.09 2.79 0.11 -1.76 -3.35 132.00 134.06 3ie7 h PRO 214 Ca -0.20 -0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.26 3ie7 h PRO 214 Cb 1.11 -0.04 -0.40 0.00 0.11 0.00 0.00 31.00 31.77 3ie7 h PRO 214 CO 0.36 0.13 -0.72 0.71 -0.21 0.00 0.00 178.00 178.28 3ie7 s TYR 215 N -6.13 3.02 -0.22 0.65 2.02 0.01 -4.30 117.35 112.40 3ie7 s TYR 215 Ca -0.13 -2.66 -0.05 0.00 -0.37 0.00 0.00 57.07 53.86 3ie7 s TYR 215 Cb 0.17 -2.52 -0.02 0.00 -0.40 0.00 0.00 41.96 39.19 3ie7 s TYR 215 CO 0.73 -0.89 -0.00 -1.17 -1.57 0.00 0.00 175.55 172.65 3ie7 s LEU 216 N 0.88 3.14 -0.13 -1.29 2.96 -0.81 -2.95 118.68 120.48 3ie7 s LEU 216 Ca 0.12 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3ie7 s LEU 216 Cb -0.20 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.70 3ie7 s LEU 216 CO -0.11 0.01 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.08 3ie7 s VAL 217 N 1.33 1.64 -0.31 1.68 1.01 -0.98 -0.22 120.40 124.55 3ie7 s VAL 217 Ca 0.04 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 3ie7 s VAL 217 Cb -0.15 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.76 3ie7 s VAL 217 CO 0.00 0.47 0.08 -0.69 0.00 0.00 0.00 175.10 174.97 3ie7 s VAL 218 N 1.12 3.83 0.12 2.92 1.01 -0.26 -2.92 120.40 126.22 3ie7 s VAL 218 Ca -0.03 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 3ie7 s VAL 218 Cb -0.14 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 3ie7 s VAL 218 CO -0.05 -0.03 0.66 -0.94 0.00 0.00 0.00 175.10 174.74 3ie7 s SER 219 N 1.45 7.19 -0.25 3.32 1.04 -0.48 -1.64 113.70 124.33 3ie7 s SER 219 Ca 0.01 1.42 0.10 0.00 0.48 0.00 0.00 55.95 57.95 3ie7 s SER 219 Cb -0.18 -2.42 0.44 0.00 0.10 0.00 0.00 66.02 63.97 3ie7 s SER 219 CO 0.02 0.24 1.20 0.18 0.98 0.00 0.00 173.24 175.86 3ie7 n LEU 220 N 1.61 3.73 0.00 2.42 4.77 0.54 -0.70 117.00 129.36 3ie7 n LEU 220 Ca -0.08 -4.24 0.00 0.00 -0.03 0.00 0.00 56.01 51.66 3ie7 n LEU 220 Cb 0.50 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3ie7 n LEU 220 CO 0.43 1.72 0.00 0.61 -1.33 0.00 0.00 177.39 178.82 3ie7 n GLY 221 N -0.85 3.53 0.29 -0.72 0.00 -1.24 -1.73 105.19 104.47 3ie7 n GLY 221 Ca 0.31 -0.08 0.19 0.00 0.00 0.00 0.00 46.02 46.44 3ie7 n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie7 h ALA 222 N -0.90 1.00 0.00 4.61 0.00 -2.02 -1.21 119.26 120.74 3ie7 h ALA 222 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ie7 h ALA 222 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ie7 h ALA 222 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 3ie7 n LYS 223 N -2.90 0.15 0.00 0.00 5.02 -0.70 -4.70 118.16 115.03 3ie7 n LYS 223 Ca -0.02 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3ie7 n LYS 223 Cb 0.12 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 3ie7 n LYS 223 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ie7 n GLY 224 N 1.23 0.83 3.82 0.72 0.00 -0.46 -4.52 105.19 106.80 3ie7 n GLY 224 Ca 0.06 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 3ie7 n GLY 224 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ie7 s SER 225 N -4.00 -0.15 -0.07 1.61 1.04 -0.57 -0.34 113.70 111.22 3ie7 s SER 225 Ca 0.00 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 55.80 3ie7 s SER 225 Cb 0.00 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.78 3ie7 s SER 225 CO 0.00 -1.23 -0.11 -0.63 0.98 0.00 0.00 173.24 172.25 3ie7 s ILE 226 N -3.20 1.09 -0.06 -1.02 1.01 -0.65 -0.49 121.20 117.86 3ie7 s ILE 226 Ca 0.14 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.38 3ie7 s ILE 226 Cb -0.04 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.42 3ie7 s ILE 226 CO 0.06 0.35 -0.17 0.00 0.00 0.00 0.00 174.94 175.18 3ie7 s ALA 228 N 0.30 2.95 -0.28 0.00 0.00 0.69 -0.15 121.76 125.27 3ie7 s ALA 228 Ca -0.11 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 50.81 3ie7 s ALA 228 Cb -0.14 -1.53 0.08 0.00 0.00 0.00 0.00 23.12 21.53 3ie7 s ALA 228 CO 0.04 0.18 0.73 -1.58 0.00 0.00 0.00 175.76 175.14 3ie7 s HIS 229 N 0.43 -0.92 -1.54 0.00 5.04 -0.54 -1.93 115.29 115.84 3ie7 s HIS 229 Ca -0.04 1.96 -0.14 0.00 -1.54 0.00 0.00 55.06 55.30 3ie7 s HIS 229 Cb -0.14 0.49 0.09 0.00 0.04 0.00 0.00 32.58 33.05 3ie7 s HIS 229 CO 0.03 -0.45 0.96 -1.71 -2.34 0.00 0.00 174.74 171.23 3ie7 n ASN 230 N 3.66 -4.53 0.00 9.88 5.15 -1.26 -1.33 115.26 126.83 3ie7 n ASN 230 Ca -0.18 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.00 3ie7 n ASN 230 Cb 0.57 -3.81 0.00 0.00 -0.53 0.00 0.00 39.78 36.02 3ie7 n ASN 230 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ie7 n GLY 231 N -1.67 0.62 3.65 8.20 0.00 -1.26 -5.02 105.19 109.70 3ie7 n GLY 231 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3ie7 n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie7 s LYS 232 N -0.23 2.33 -0.09 1.61 1.02 -0.44 -5.12 119.74 118.81 3ie7 s LYS 232 Ca 0.00 -1.21 0.02 0.00 0.02 0.00 0.00 55.97 54.80 3ie7 s LYS 232 Cb 0.00 -2.28 0.01 0.00 -0.52 0.00 0.00 37.83 35.05 3ie7 s LYS 232 CO 0.00 0.43 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.55 3ie7 s LEU 233 N -3.12 1.68 -0.09 3.17 2.96 -1.26 -1.46 118.68 120.56 3ie7 s LEU 233 Ca 0.28 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3ie7 s LEU 233 Cb -0.08 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 3ie7 s LEU 233 CO 0.18 0.02 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.76 3ie7 s TYR 234 N 0.86 2.69 -0.30 5.38 2.02 0.79 -0.26 117.35 128.53 3ie7 s TYR 234 Ca -0.10 -0.51 -0.11 0.00 -0.37 0.00 0.00 57.07 55.98 3ie7 s TYR 234 Cb -0.15 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 3ie7 s TYR 234 CO 0.01 -0.09 0.19 -1.14 -1.57 0.00 0.00 175.55 172.96 3ie7 s GLN 235 N -0.12 3.73 -0.21 -0.62 0.74 0.50 -1.07 119.66 122.60 3ie7 s GLN 235 Ca -0.02 -0.47 -0.05 0.00 0.05 0.00 0.00 55.36 54.86 3ie7 s GLN 235 Cb -0.14 -3.67 -0.02 0.00 1.10 0.00 0.00 33.01 30.28 3ie7 s GLN 235 CO 0.04 -0.29 0.01 0.08 -0.55 0.00 0.00 175.29 174.58 3ie7 s VAL 236 N 1.72 3.99 -0.15 1.34 1.01 0.35 -1.81 120.40 126.85 3ie7 s VAL 236 Ca 0.06 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3ie7 s VAL 236 Cb -0.16 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.41 3ie7 s VAL 236 CO 0.10 0.41 -0.21 -0.63 0.00 0.00 0.00 175.10 174.76 3ie7 s ILE 237 N 1.18 2.05 0.60 2.22 1.01 -0.08 -1.51 121.20 126.67 3ie7 s ILE 237 Ca 0.03 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 3ie7 s ILE 237 Cb -0.14 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 3ie7 s ILE 237 CO 0.02 0.54 0.96 -2.16 0.00 0.00 0.00 174.94 174.30 3ie7 s PRO 238 N 0.99 3.30 0.73 2.79 0.04 -1.26 -1.47 135.00 140.13 3ie7 s PRO 238 Ca -0.03 0.42 -0.11 0.00 0.04 0.00 0.00 61.00 61.33 3ie7 s PRO 238 Cb -0.15 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.25 3ie7 s PRO 238 CO -0.06 -0.61 1.07 -1.25 0.04 0.00 0.00 177.00 176.19 3ie7 s PRO 239 N -5.08 2.62 -0.02 0.56 0.04 -1.24 -4.89 135.00 126.99 3ie7 s PRO 239 Ca 0.54 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 3ie7 s PRO 239 Cb -0.11 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3ie7 s PRO 239 CO 0.50 -1.32 1.03 0.15 0.04 0.00 0.00 177.00 177.40 3ie7 s LYS 240 N -5.03 4.50 0.16 4.56 1.02 -1.26 -5.04 119.74 118.65 3ie7 s LYS 240 Ca 0.59 1.48 0.06 0.00 0.02 0.00 0.00 55.97 58.12 3ie7 s LYS 240 Cb -0.15 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 3ie7 s LYS 240 CO 0.55 -0.16 -0.13 0.14 -0.92 0.00 0.00 175.35 174.83 3ie7 s VAL 241 N 1.30 1.44 -0.54 3.17 -7.23 -1.26 -5.09 120.40 112.18 3ie7 s VAL 241 Ca 0.52 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 58.40 3ie7 s VAL 241 Cb -0.22 -1.83 0.02 0.00 0.56 0.00 0.00 36.38 34.91 3ie7 s VAL 241 CO 0.26 -0.59 1.34 -1.58 -0.31 0.00 0.00 175.10 174.23 3ie7 s GLN 242 N -3.37 3.42 0.24 4.82 0.74 -1.26 -4.98 119.66 119.26 3ie7 s GLN 242 Ca 0.16 0.48 -0.30 0.00 0.05 0.00 0.00 55.36 55.75 3ie7 s GLN 242 Cb -0.01 -4.07 -0.09 0.00 1.10 0.00 0.00 33.01 29.94 3ie7 s GLN 242 CO 0.04 -1.79 1.12 -2.00 -0.55 0.00 0.00 175.29 172.11 3ie7 s GLU 243 N 5.23 4.59 0.00 1.67 2.12 -1.26 -4.84 118.70 126.21 3ie7 s GLU 243 Ca 0.51 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.66 3ie7 s GLU 243 Cb -0.10 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.08 3ie7 s GLU 243 CO 0.27 0.12 0.00 0.54 -0.54 0.00 0.00 175.26 175.64 3ie7 n ARG 244 N 1.64 0.00 -3.15 4.30 1.74 0.94 -5.04 116.66 117.09 3ie7 n ARG 244 Ca 0.01 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.13 3ie7 n ARG 244 Cb 0.45 -0.79 -0.01 0.00 -1.02 0.00 0.00 32.46 31.09 3ie7 n ARG 244 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3ie7 s ASN 245 N -4.05 -1.40 0.00 0.55 3.84 -0.91 -4.28 114.94 108.70 3ie7 s ASN 245 Ca 0.00 0.76 0.12 0.00 0.21 0.00 0.00 52.86 53.95 3ie7 s ASN 245 Cb 0.00 2.13 0.44 0.00 -0.55 0.00 0.00 41.25 43.27 3ie7 s ASN 245 CO 0.00 -0.26 1.33 -0.90 -2.79 0.00 0.00 177.10 174.48 3ie7 n ASP 246 N 5.43 1.36 -4.72 -4.21 3.85 -1.26 -4.16 116.55 112.84 3ie7 n ASP 246 Ca -0.00 -1.88 -0.42 0.00 -0.71 0.00 0.00 54.79 51.78 3ie7 n ASP 246 Cb 0.52 -0.14 -0.03 0.00 -1.35 0.00 0.00 41.12 40.11 3ie7 n ASP 246 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3ie7 s THR 247 N -1.71 3.49 0.00 2.12 2.01 -1.26 -2.38 115.64 117.90 3ie7 s THR 247 Ca 0.22 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.34 3ie7 s THR 247 Cb 0.12 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.91 3ie7 s THR 247 CO 0.16 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 3ie7 n GLY 248 N 3.03 1.05 0.36 4.40 0.00 -1.25 -4.32 105.19 108.46 3ie7 n GLY 248 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 3ie7 n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie7 h ALA 249 N 0.00 1.44 -0.54 4.61 0.00 -1.77 -1.92 119.26 121.08 3ie7 h ALA 249 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3ie7 h ALA 249 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3ie7 h ALA 249 CO 0.00 0.49 -0.07 0.78 0.00 0.00 0.00 179.25 180.44 3ie7 h GLY 250 N 1.11 1.08 1.10 0.00 0.00 -1.91 -0.96 103.07 103.49 3ie7 h GLY 250 Ca 0.34 -0.85 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 3ie7 h GLY 250 CO -0.09 0.78 0.19 -0.55 0.00 0.00 0.00 176.54 176.87 3ie7 h ASP 251 N 0.88 1.05 -0.45 0.19 3.32 -1.83 -0.49 116.42 119.08 3ie7 h ASP 251 Ca 0.14 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3ie7 h ASP 251 Cb 0.63 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3ie7 h ASP 251 CO 0.04 1.00 -0.10 0.58 -1.72 0.00 0.00 179.24 179.03 3ie7 h VAL 252 N 1.07 1.27 -0.17 -1.35 2.07 -1.25 -1.23 116.25 116.66 3ie7 h VAL 252 Ca 0.23 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.55 3ie7 h VAL 252 Cb 0.34 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3ie7 h VAL 252 CO -0.00 0.42 0.04 0.15 0.02 0.00 0.00 177.57 178.19 3ie7 h PHE 253 N 0.70 0.07 -0.25 1.57 3.57 -0.78 -0.44 116.94 121.37 3ie7 h PHE 253 Ca 0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3ie7 h PHE 253 Cb 0.64 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3ie7 h PHE 253 CO 0.05 0.03 0.17 0.28 -2.23 0.00 0.00 178.31 176.60 3ie7 h VAL 254 N 0.11 1.06 -0.53 1.41 2.07 -0.96 0.20 116.25 119.62 3ie7 h VAL 254 Ca 0.08 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3ie7 h VAL 254 Cb 0.06 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3ie7 h VAL 254 CO -0.10 0.06 0.35 1.23 0.02 0.00 0.00 177.57 179.14 3ie7 h GLY 255 N 0.34 0.75 1.25 2.17 0.00 -1.01 -0.56 103.07 106.02 3ie7 h GLY 255 Ca 0.09 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 3ie7 h GLY 255 CO -0.02 0.27 -0.21 0.00 0.00 0.00 0.00 176.54 176.57 3ie7 h ALA 256 N 1.20 0.82 -0.21 3.60 0.00 -0.79 -1.38 119.26 122.49 3ie7 h ALA 256 Ca 0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ie7 h ALA 256 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ie7 h ALA 256 CO -0.05 0.65 0.10 0.35 0.00 0.00 0.00 179.25 180.30 3ie7 h PHE 257 N 0.75 0.31 -0.80 0.00 3.57 -0.30 -0.71 116.94 119.76 3ie7 h PHE 257 Ca 0.10 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3ie7 h PHE 257 Cb 0.74 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 3ie7 h PHE 257 CO 0.04 0.32 0.35 0.82 -2.23 0.00 0.00 178.31 177.61 3ie7 h ILE 258 N 0.21 1.26 -0.59 1.41 1.08 -1.03 -1.69 117.51 118.16 3ie7 h ILE 258 Ca 0.07 -0.77 -0.00 0.00 -0.39 0.00 0.00 64.86 63.77 3ie7 h ILE 258 Cb 0.13 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.11 3ie7 h ILE 258 CO -0.01 0.32 0.35 0.00 -0.69 0.00 0.00 178.15 178.13 3ie7 h ALA 259 N 1.23 0.75 -0.51 1.87 0.00 -0.97 0.26 119.26 121.89 3ie7 h ALA 259 Ca 0.27 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ie7 h ALA 259 Cb 0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ie7 h ALA 259 CO -0.03 0.23 0.33 0.78 0.00 0.00 0.00 179.25 180.56 3ie7 h GLY 260 N 0.80 0.72 1.11 0.00 0.00 -0.58 -2.54 103.07 102.58 3ie7 h GLY 260 Ca 0.21 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 3ie7 h GLY 260 CO -0.04 0.24 0.15 1.41 0.00 0.00 0.00 176.54 178.30 3ie7 h LEU 261 N 0.67 1.04 -2.48 3.11 3.38 -0.91 -2.58 115.31 117.54 3ie7 h LEU 261 Ca 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ie7 h LEU 261 Cb -0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.42 3ie7 h LEU 261 CO -0.05 1.01 0.00 0.00 0.09 0.00 0.00 178.44 179.48 3ie7 n ALA 262 N -2.46 1.66 -3.35 1.53 0.00 0.04 -5.11 120.51 112.83 3ie7 n ALA 262 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 3ie7 n ALA 262 Cb 0.27 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 3ie7 n ALA 262 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3ie7 s ASN 264 N 1.25 -0.39 0.12 0.00 2.47 -0.98 -5.09 114.94 112.33 3ie7 s ASN 264 Ca 0.00 0.60 0.03 0.00 0.42 0.00 0.00 52.86 53.91 3ie7 s ASN 264 Cb 0.00 1.53 -0.04 0.00 -1.45 0.00 0.00 41.25 41.29 3ie7 s ASN 264 CO 0.00 -0.27 0.18 -2.84 -3.72 0.00 0.00 177.10 170.44 3ie7 s PRO 266 N 2.67 3.13 0.28 0.43 0.02 -1.26 -5.13 135.00 135.13 3ie7 s PRO 266 Ca 0.12 -0.69 0.01 0.00 0.02 0.00 0.00 61.00 60.46 3ie7 s PRO 266 Cb -0.15 -2.81 0.57 0.00 0.02 0.00 0.00 34.50 32.14 3ie7 s PRO 266 CO -0.17 0.53 1.79 0.97 -0.33 0.00 0.00 177.00 179.79 3ie7 h ILE 267 N 2.06 0.79 -0.67 2.83 6.09 -1.99 -1.03 117.51 125.59 3ie7 h ILE 267 Ca -0.47 -0.26 -0.07 0.00 -1.37 0.00 0.00 64.86 62.68 3ie7 h ILE 267 Cb 1.18 -0.05 -0.03 0.00 0.47 0.00 0.00 36.82 38.40 3ie7 h ILE 267 CO 0.67 0.14 0.14 0.71 -3.07 0.00 0.00 178.15 176.74 3ie7 h THR 268 N 0.77 1.26 -0.48 2.19 1.35 -2.03 -1.16 112.91 114.80 3ie7 h THR 268 Ca 0.49 -0.98 -0.13 0.00 -0.55 0.00 0.00 66.41 65.24 3ie7 h THR 268 Cb 0.64 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 3ie7 h THR 268 CO -0.33 0.37 -0.22 -0.08 -0.25 0.00 0.00 175.52 175.01 3ie7 h GLU 269 N 1.01 1.00 -0.74 4.72 4.81 -1.78 -1.43 114.58 122.17 3ie7 h GLU 269 Ca 0.21 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 3ie7 h GLU 269 Cb 0.39 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 3ie7 h GLU 269 CO 0.01 1.11 0.48 1.15 -0.73 0.00 0.00 179.01 181.02 3ie7 h THR 270 N 0.86 1.16 -0.57 0.32 2.02 -0.93 0.13 112.91 115.90 3ie7 h THR 270 Ca 0.11 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 3ie7 h THR 270 Cb 0.80 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3ie7 h THR 270 CO 0.07 0.18 0.02 -0.07 0.37 0.00 0.00 175.52 176.09 3ie7 h LEU 271 N 0.97 0.93 -0.48 2.58 3.38 -1.00 -0.66 115.31 121.03 3ie7 h LEU 271 Ca 0.28 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3ie7 h LEU 271 Cb -0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3ie7 h LEU 271 CO -0.08 0.97 -0.04 0.11 0.09 0.00 0.00 178.44 179.49 3ie7 h LYS 272 N 0.89 0.87 -0.39 1.13 1.57 -0.58 -0.87 116.57 119.18 3ie7 h LYS 272 Ca 0.17 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3ie7 h LYS 272 Cb 0.49 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3ie7 h LYS 272 CO 0.02 0.93 0.15 0.28 -0.57 0.00 0.00 179.45 180.27 3ie7 h VAL 273 N 0.72 1.20 -0.79 0.50 2.07 -0.76 0.83 116.25 120.02 3ie7 h VAL 273 Ca 0.13 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3ie7 h VAL 273 Cb 0.57 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3ie7 h VAL 273 CO 0.03 0.22 0.32 0.00 0.02 0.00 0.00 177.57 178.16 3ie7 h ALA 274 N 1.00 1.03 -0.37 1.67 0.00 -1.00 -1.50 119.26 120.08 3ie7 h ALA 274 Ca 0.13 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3ie7 h ALA 274 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ie7 h ALA 274 CO -0.01 0.65 -0.38 1.15 0.00 0.00 0.00 179.25 180.66 3ie7 h THR 275 N 1.15 1.27 -0.57 0.00 2.02 -0.94 -1.83 112.91 114.02 3ie7 h THR 275 Ca 0.26 -1.55 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 3ie7 h THR 275 Cb 0.21 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3ie7 h THR 275 CO -0.02 0.52 0.24 1.23 0.37 0.00 0.00 175.52 177.85 3ie7 h GLY 276 N 0.73 0.90 0.88 2.16 0.00 -0.59 -0.31 103.07 106.84 3ie7 h GLY 276 Ca 0.06 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 3ie7 h GLY 276 CO 0.09 0.46 -0.02 0.00 0.00 0.00 0.00 176.54 177.07 3ie7 h SER 278 N 0.32 0.22 -0.59 0.00 4.64 -1.24 -1.15 113.55 115.75 3ie7 h SER 278 Ca 0.08 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3ie7 h SER 278 Cb 0.47 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3ie7 h SER 278 CO 0.02 0.56 0.05 0.00 -0.87 0.00 0.00 176.83 176.59 3ie7 h ALA 279 N 1.46 0.78 -0.61 5.18 0.00 -0.89 -2.20 119.26 122.98 3ie7 h ALA 279 Ca 0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3ie7 h ALA 279 Cb 0.71 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3ie7 h ALA 279 CO 0.05 0.57 0.15 1.03 0.00 0.00 0.00 179.25 181.05 3ie7 h SER 280 N 0.90 0.89 -0.50 0.00 0.87 -0.91 -2.91 113.55 111.89 3ie7 h SER 280 Ca 0.17 -0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3ie7 h SER 280 Cb 0.48 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 3ie7 h SER 280 CO 0.02 0.87 0.31 0.50 -0.53 0.00 0.00 176.83 177.99 3ie7 h LYS 281 N 0.91 0.60 -2.42 2.24 1.63 -0.78 -3.25 116.57 115.51 3ie7 h LYS 281 Ca 0.20 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 3ie7 h LYS 281 Cb 0.33 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3ie7 h LYS 281 CO -0.00 0.40 0.19 0.28 -3.45 0.00 0.00 179.45 176.87 3ie7 n VAL 282 N -4.79 0.28 -0.21 2.00 0.31 -0.87 -4.73 118.33 110.32 3ie7 n VAL 282 Ca 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3ie7 n VAL 282 Cb 0.06 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 3ie7 n VAL 282 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ie7 n GLN 284 N 2.42 0.00 -0.01 5.55 1.13 -1.23 -0.04 117.38 125.20 3ie7 n GLN 284 Ca 0.02 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.96 3ie7 n GLN 284 Cb 0.08 -0.21 -0.10 0.00 0.11 0.00 0.00 30.24 30.12 3ie7 n GLN 284 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3ie7 h GLN 285 N -0.43 -0.06 0.00 -1.09 4.20 -1.90 -3.03 115.11 112.80 3ie7 h GLN 285 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ie7 h GLN 285 Cb 0.07 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3ie7 h GLN 285 CO 0.00 0.55 0.00 -0.40 -0.67 0.00 0.00 178.83 178.31 3ie7 n ASP 286 N -4.80 -0.79 -0.91 1.46 5.68 -1.26 -4.68 116.55 111.25 3ie7 n ASP 286 Ca -0.08 -0.29 0.06 0.00 -0.50 0.00 0.00 54.79 53.97 3ie7 n ASP 286 Cb 0.32 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.54 3ie7 n ASP 286 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3ie7 n SER 287 N -2.06 3.53 0.00 -1.12 3.41 -1.26 -4.76 113.62 111.36 3ie7 n SER 287 Ca 0.00 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.44 3ie7 n SER 287 Cb 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 3ie7 n SER 287 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ie7 n SER 288 N -0.69 0.00 -4.78 4.04 3.41 -1.26 -3.90 113.62 110.44 3ie7 n SER 288 Ca 0.24 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.52 3ie7 n SER 288 Cb 0.92 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.89 3ie7 n SER 288 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ie7 s SER 289 N -0.92 5.44 0.07 4.04 0.01 -1.26 -4.92 113.70 116.16 3ie7 s SER 289 Ca 0.00 1.97 -0.24 0.00 1.31 0.00 0.00 55.95 58.99 3ie7 s SER 289 Cb 0.00 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.74 3ie7 s SER 289 CO 0.00 -1.40 0.57 0.72 0.41 0.00 0.00 173.24 173.54 3ie7 s PHE 290 N -2.28 -0.49 -0.33 2.43 -0.12 -1.26 -4.38 117.98 111.56 3ie7 s PHE 290 Ca 0.67 0.51 -0.17 0.00 -0.05 0.00 0.00 56.93 57.89 3ie7 s PHE 290 Cb -0.19 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.60 3ie7 s PHE 290 CO 0.37 -0.70 0.44 0.34 -0.05 0.00 0.00 175.22 175.62 3ie7 s ASP 291 N -2.12 6.27 0.40 1.98 -1.08 -1.26 -4.94 116.67 115.91 3ie7 s ASP 291 Ca -0.04 -0.01 0.07 0.00 -0.52 0.00 0.00 52.55 52.06 3ie7 s ASP 291 Cb -0.00 -2.24 0.81 0.00 -1.46 0.00 0.00 42.92 40.03 3ie7 s ASP 291 CO -0.04 -0.38 2.00 0.25 0.52 0.00 0.00 175.17 177.53 3ie7 h LEU 292 N 8.88 0.42 0.07 -1.34 5.85 -1.98 -0.34 115.31 126.87 3ie7 h LEU 292 Ca -0.29 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 3ie7 h LEU 292 Cb 1.14 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3ie7 h LEU 292 CO 0.72 0.38 -0.03 -0.08 -0.34 0.00 0.00 178.44 179.09 3ie7 h GLU 293 N 0.48 -0.09 -0.86 1.25 4.81 -2.00 -2.00 114.58 116.18 3ie7 h GLU 293 Ca 0.12 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3ie7 h GLU 293 Cb 0.08 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3ie7 h GLU 293 CO -0.01 0.30 0.45 0.00 -0.73 0.00 0.00 179.01 179.01 3ie7 h ALA 294 N 0.40 1.10 -0.60 2.92 0.00 -1.92 -2.97 119.26 118.18 3ie7 h ALA 294 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3ie7 h ALA 294 Cb 0.43 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ie7 h ALA 294 CO 0.02 0.63 0.31 0.00 0.00 0.00 0.00 179.25 180.20 3ie7 h ALA 295 N 1.24 0.78 0.00 0.00 0.00 -1.03 0.95 119.26 121.20 3ie7 h ALA 295 Ca 0.30 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ie7 h ALA 295 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ie7 h ALA 295 CO -0.04 0.32 -0.01 0.78 0.00 0.00 0.00 179.25 180.29 3ie7 h GLY 296 N 0.82 0.00 0.40 0.00 0.00 -1.20 0.90 103.07 103.99 3ie7 h GLY 296 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.24 3ie7 h GLY 296 CO -0.03 0.00 -1.62 0.50 0.00 0.00 0.00 176.54 175.39 3ie7 h LYS 297 N 0.00 0.17 -0.58 4.80 1.57 -1.37 -3.36 116.57 117.81 3ie7 h LYS 297 Ca -0.00 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.51 3ie7 h LYS 297 Cb 0.04 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3ie7 h LYS 297 CO 0.00 1.14 0.38 -0.07 -0.57 0.00 0.00 179.45 180.34 3ie7 h LEU 298 N -0.37 0.60 -1.66 2.94 3.38 -0.36 -1.20 115.31 118.63 3ie7 h LEU 298 Ca -0.37 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 57.72 3ie7 h LEU 298 Cb 1.73 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 3ie7 h LEU 298 CO -0.02 0.42 0.46 0.50 0.09 0.00 0.00 178.44 179.89 3ie7 h LYS 299 N 0.70 0.34 0.00 1.13 3.64 -0.98 0.42 116.57 121.81 3ie7 h LYS 299 Ca 0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3ie7 h LYS 299 Cb 0.05 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3ie7 h LYS 299 CO -0.06 0.22 0.00 0.09 -2.27 0.00 0.00 179.45 177.43 3ie7 n ASN 300 N -4.46 0.00 -0.31 4.20 3.02 -0.45 -3.13 115.26 114.13 3ie7 n ASN 300 Ca 0.12 -0.51 0.08 0.00 -0.03 0.00 0.00 54.58 54.25 3ie7 n ASN 300 Cb 0.50 -0.14 0.17 0.00 -0.61 0.00 0.00 39.78 39.70 3ie7 n ASN 300 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ie7 n GLN 301 N -1.14 1.43 -3.77 3.52 6.02 0.14 -4.99 117.38 118.59 3ie7 n GLN 301 Ca 0.17 -2.89 -0.35 0.00 -0.01 0.00 0.00 57.00 53.92 3ie7 n GLN 301 Cb 0.16 -1.56 -0.08 0.00 1.02 0.00 0.00 30.24 29.78 3ie7 n GLN 301 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ie7 s VAL 302 N -3.03 5.33 -0.07 5.09 1.01 -1.18 -3.60 120.40 123.94 3ie7 s VAL 302 Ca 0.35 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 3ie7 s VAL 302 Cb 0.32 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3ie7 s VAL 302 CO -0.01 0.44 0.30 -0.55 0.00 0.00 0.00 175.10 175.28 3ie7 s SER 303 N 0.37 6.60 -0.08 3.32 0.15 -0.54 -4.96 113.70 118.56 3ie7 s SER 303 Ca 0.07 0.71 -0.01 0.00 0.70 0.00 0.00 55.95 57.43 3ie7 s SER 303 Cb -0.11 -2.18 0.03 0.00 -1.71 0.00 0.00 66.02 62.04 3ie7 s SER 303 CO -0.02 0.30 -0.03 -0.63 1.20 0.00 0.00 173.24 174.07 3ie7 s ILE 304 N -0.72 0.57 -0.05 6.45 1.01 -1.26 -0.90 121.20 126.30 3ie7 s ILE 304 Ca 0.20 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.86 3ie7 s ILE 304 Cb -0.14 -0.67 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 3ie7 s ILE 304 CO 0.08 0.28 -0.18 -0.63 0.00 0.00 0.00 174.94 174.49 3ie7 s ILE 305 N 1.71 1.55 0.03 2.92 1.01 -0.75 -4.97 121.20 122.70 3ie7 s ILE 305 Ca 0.02 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 3ie7 s ILE 305 Cb -0.13 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3ie7 s ILE 305 CO -0.05 0.44 0.94 -1.58 0.00 0.00 0.00 174.94 174.69 3ie7 s GLN 306 N 0.11 4.59 -0.27 2.79 0.74 -1.26 -0.37 119.66 125.98 3ie7 s GLN 306 Ca -0.06 1.36 -0.17 0.00 0.05 0.00 0.00 55.36 56.54 3ie7 s GLN 306 Cb -0.13 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.52 3ie7 s GLN 306 CO 0.03 0.05 0.49 -0.51 -0.55 0.00 0.00 175.29 174.81 3ie7 s LEU 307 N 0.65 4.07 0.00 3.68 1.43 0.64 -4.93 118.68 124.21 3ie7 s LEU 307 Ca 0.49 0.44 0.31 0.00 -1.03 0.00 0.00 54.13 54.33 3ie7 s LEU 307 Cb -0.21 -2.62 1.72 0.00 0.03 0.00 0.00 46.19 45.11 3ie7 s LEU 307 CO 0.27 -0.29 2.12 -0.62 0.23 0.00 0.00 176.35 178.07