#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br2 s ARG 9 N 0.00 4.42 0.28 5.31 3.52 -1.26 -5.06 118.95 126.16 2br2 s ARG 9 Ca 0.00 2.06 -0.06 0.00 -0.13 0.00 0.00 55.73 57.60 2br2 s ARG 9 Cb 0.00 -3.16 -0.06 0.00 -1.56 0.00 0.00 34.95 30.17 2br2 s ARG 9 CO 0.00 -0.16 0.57 -1.25 -0.81 0.00 0.00 175.30 173.64 2br2 s PRO 10 N -0.78 3.68 0.27 5.12 0.04 -1.26 -5.09 135.00 136.98 2br2 s PRO 10 Ca 0.53 0.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.37 2br2 s PRO 10 Cb -0.37 -2.63 -0.09 0.00 0.04 0.00 0.00 34.50 31.45 2br2 s PRO 10 CO 0.43 0.22 1.23 0.21 0.04 0.00 0.00 177.00 179.12 2br2 s LYS 11 N -3.41 4.47 -0.19 4.56 2.20 -1.26 -4.97 119.74 121.14 2br2 s LYS 11 Ca 0.45 2.01 0.15 0.00 -0.36 0.00 0.00 55.97 58.22 2br2 s LYS 11 Cb -0.11 -3.15 -0.22 0.00 -1.51 0.00 0.00 37.83 32.84 2br2 s LYS 11 CO 0.28 -0.06 0.03 1.28 -0.36 0.00 0.00 175.35 176.52 2br2 n LEU 12 N 1.51 0.34 -4.28 5.43 4.77 -1.26 -4.75 117.00 118.75 2br2 n LEU 12 Ca 0.01 -0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2br2 n LEU 12 Cb 0.43 0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 41.70 2br2 n LEU 12 CO 0.57 0.51 -0.38 -0.63 -1.33 0.00 0.00 177.39 176.13 2br2 s ILE 13 N -2.45 3.29 0.00 -0.08 1.09 -1.26 -3.72 121.20 118.07 2br2 s ILE 13 Ca -0.12 -0.66 0.00 0.00 -1.10 0.00 0.00 60.65 58.77 2br2 s ILE 13 Cb 0.06 -2.57 0.00 0.00 -1.06 0.00 0.00 42.46 38.89 2br2 s ILE 13 CO 0.74 0.32 0.00 0.18 -0.10 0.00 0.00 174.94 176.08 2br2 n LEU 14 N 4.77 0.00 0.08 2.97 4.77 -0.66 -4.93 117.00 124.00 2br2 n LEU 14 Ca -0.17 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 2br2 n LEU 14 Cb 0.49 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 2br2 n LEU 14 CO 0.29 -0.56 0.08 0.44 -1.33 0.00 0.00 177.39 176.30 2br2 h ASP 15 N -0.30 0.17 -0.06 -1.43 3.32 -2.00 -2.94 116.42 113.18 2br2 h ASP 15 Ca 0.00 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.89 2br2 h ASP 15 Cb 0.00 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 2br2 h ASP 15 CO 0.00 1.13 0.05 0.44 -1.72 0.00 0.00 179.24 179.14 2br2 h ASP 16 N 0.03 0.00 0.00 6.45 3.32 -2.01 -3.44 116.42 120.77 2br2 h ASP 16 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2br2 h ASP 16 Cb 1.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.38 2br2 h ASP 16 CO 0.16 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.29 2br2 n GLY 17 N -1.44 0.60 3.88 2.75 0.00 -1.11 -5.09 105.19 104.79 2br2 n GLY 17 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2br2 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2br2 s LYS 18 N -0.77 3.65 0.92 1.61 1.02 -1.26 -4.67 119.74 120.24 2br2 s LYS 18 Ca 0.00 0.46 -0.13 0.00 0.02 0.00 0.00 55.97 56.33 2br2 s LYS 18 Cb 0.00 -2.29 0.20 0.00 -0.52 0.00 0.00 37.83 35.22 2br2 s LYS 18 CO 0.00 -0.25 1.27 1.03 -0.92 0.00 0.00 175.35 176.48 2br2 s ARG 19 N -4.54 0.72 0.47 1.68 0.52 0.36 -1.66 118.95 116.50 2br2 s ARG 19 Ca 0.51 -0.66 0.21 0.00 -0.52 0.00 0.00 55.73 55.27 2br2 s ARG 19 Cb -0.10 -1.95 1.16 0.00 0.52 0.00 0.00 34.95 34.57 2br2 s ARG 19 CO 0.42 -2.29 1.99 1.79 0.02 0.00 0.00 175.30 177.22 2br2 h THR 20 N -1.45 0.84 -0.38 0.02 1.35 -1.88 -1.42 112.91 110.00 2br2 h THR 20 Ca -0.42 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2br2 h THR 20 Cb 1.23 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2br2 h THR 20 CO 0.35 0.19 0.00 -0.90 -0.25 0.00 0.00 175.52 174.91 2br2 n ASP 21 N -3.87 2.85 0.00 5.36 3.85 -1.26 -4.94 116.55 118.53 2br2 n ASP 21 Ca -0.02 -1.92 0.00 0.00 -0.71 0.00 0.00 54.79 52.14 2br2 n ASP 21 Cb 0.29 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 39.81 2br2 n ASP 21 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2br2 n GLY 22 N 1.38 0.72 3.82 6.12 0.00 -0.53 -5.06 105.19 111.63 2br2 n GLY 22 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2br2 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2br2 s ARG 23 N -0.60 4.02 0.63 1.61 0.52 -1.26 -4.63 118.95 119.23 2br2 s ARG 23 Ca 0.00 1.15 -0.12 0.00 -0.52 0.00 0.00 55.73 56.25 2br2 s ARG 23 Cb 0.00 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.30 2br2 s ARG 23 CO 0.00 -0.22 1.04 0.15 0.02 0.00 0.00 175.30 176.28 2br2 s LYS 24 N -3.41 3.42 0.54 3.54 1.02 -1.26 -0.49 119.74 123.10 2br2 s LYS 24 Ca 0.63 0.87 0.29 0.00 0.02 0.00 0.00 55.97 57.77 2br2 s LYS 24 Cb -0.11 -2.06 1.45 0.00 -0.52 0.00 0.00 37.83 36.59 2br2 s LYS 24 CO 0.19 -0.71 1.94 -1.35 -0.92 0.00 0.00 175.35 174.50 2br2 h PRO 25 N -0.25 0.00 -0.79 -1.68 0.11 -1.89 -1.96 132.00 125.55 2br2 h PRO 25 Ca -0.44 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.36 2br2 h PRO 25 Cb 1.20 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.13 2br2 h PRO 25 CO 0.60 0.00 0.37 -0.40 -0.21 0.00 0.00 178.00 178.36 2br2 n ASP 26 N -4.28 4.35 -4.43 -2.05 5.75 -1.26 -0.60 116.55 114.02 2br2 n ASP 26 Ca 0.14 -3.38 -0.33 0.00 -0.01 0.00 0.00 54.79 51.21 2br2 n ASP 26 Cb 0.78 -0.77 -0.13 0.00 -1.03 0.00 0.00 41.12 39.97 2br2 n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2br2 s GLU 27 N -3.11 3.44 0.50 0.11 2.02 -0.74 -0.71 118.70 120.21 2br2 s GLU 27 Ca 0.55 -0.62 -0.19 0.00 0.02 0.00 0.00 54.97 54.73 2br2 s GLU 27 Cb 0.45 -2.73 -0.08 0.00 0.10 0.00 0.00 34.13 31.88 2br2 s GLU 27 CO 0.12 0.26 1.01 -0.51 0.02 0.00 0.00 175.26 176.16 2br2 s LEU 28 N 0.26 3.75 1.00 1.80 1.43 -1.10 -4.75 118.68 121.07 2br2 s LEU 28 Ca -0.07 1.79 -0.12 0.00 -1.03 0.00 0.00 54.13 54.70 2br2 s LEU 28 Cb -0.15 -4.54 0.19 0.00 0.03 0.00 0.00 46.19 41.72 2br2 s LEU 28 CO 0.04 -0.73 1.08 -0.13 0.23 0.00 0.00 176.35 176.84 2br2 s ARG 29 N -3.55 0.42 0.57 1.70 0.52 -1.26 -3.51 118.95 113.83 2br2 s ARG 29 Ca 0.64 0.74 -0.20 0.00 -0.52 0.00 0.00 55.73 56.39 2br2 s ARG 29 Cb -0.13 -1.72 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 2br2 s ARG 29 CO 0.24 -2.80 1.26 -1.54 0.02 0.00 0.00 175.30 172.49 2br2 s SER 30 N -3.19 5.21 -0.02 0.23 1.04 -1.26 -4.55 113.70 111.15 2br2 s SER 30 Ca 0.65 2.53 0.07 0.00 0.48 0.00 0.00 55.95 59.68 2br2 s SER 30 Cb -0.20 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.29 2br2 s SER 30 CO 0.59 -1.59 -0.23 -0.63 0.98 0.00 0.00 173.24 172.36 2br2 s ILE 31 N -1.47 1.85 -0.02 -1.02 1.01 -0.02 -0.06 121.20 121.47 2br2 s ILE 31 Ca 0.75 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2br2 s ILE 31 Cb -0.34 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.61 2br2 s ILE 31 CO 0.39 0.52 -0.00 -0.75 0.00 0.00 0.00 174.94 175.10 2br2 s LYS 32 N -0.48 0.27 -0.04 2.79 2.20 -0.36 -0.55 119.74 123.57 2br2 s LYS 32 Ca 0.07 0.06 0.01 0.00 -0.36 0.00 0.00 55.97 55.75 2br2 s LYS 32 Cb -0.10 -0.43 0.02 0.00 -1.51 0.00 0.00 37.83 35.82 2br2 s LYS 32 CO -0.00 -0.11 -0.05 0.42 -0.36 0.00 0.00 175.35 175.25 2br2 s ILE 33 N 0.86 0.52 0.01 5.43 1.01 0.06 -0.15 121.20 128.94 2br2 s ILE 33 Ca -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 2br2 s ILE 33 Cb -0.12 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 2br2 s ILE 33 CO -0.02 0.21 0.01 -1.83 0.00 0.00 0.00 174.94 173.31 2br2 s GLU 34 N 0.70 0.32 0.24 2.79 -1.05 -0.47 -0.65 118.70 120.58 2br2 s GLU 34 Ca -0.09 -0.50 0.10 0.00 -0.15 0.00 0.00 54.97 54.33 2br2 s GLU 34 Cb -0.12 0.12 -0.04 0.00 -0.44 0.00 0.00 34.13 33.64 2br2 s GLU 34 CO 0.00 -0.06 -0.10 -0.51 0.95 0.00 0.00 175.26 175.54 2br2 s LEU 35 N -1.30 2.91 -1.12 1.83 1.02 -0.44 -0.27 118.68 121.31 2br2 s LEU 35 Ca -0.14 -0.76 -0.07 0.00 0.02 0.00 0.00 54.13 53.18 2br2 s LEU 35 Cb -0.09 -1.48 0.01 0.00 0.02 0.00 0.00 46.19 44.65 2br2 s LEU 35 CO -0.00 0.05 0.98 0.61 0.02 0.00 0.00 176.35 178.00 2br2 n GLY 36 N -0.49 -0.28 0.10 -3.19 0.00 0.31 -4.90 105.19 96.74 2br2 n GLY 36 Ca -0.08 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2br2 n GLY 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2br2 h VAL 37 N -2.22 0.00 -3.33 1.61 3.04 -1.85 -3.45 116.25 110.05 2br2 h VAL 37 Ca -0.47 -0.75 -0.66 0.00 -1.01 0.00 0.00 66.70 63.81 2br2 h VAL 37 Cb 1.30 1.36 -0.27 0.00 -2.01 0.00 0.00 31.29 31.68 2br2 h VAL 37 CO 0.46 0.00 -0.75 -0.76 -1.01 0.00 0.00 177.57 175.51 2br2 s LEU 38 N -4.92 2.80 0.08 3.16 1.43 -1.26 -5.03 118.68 114.95 2br2 s LEU 38 Ca 0.04 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 2br2 s LEU 38 Cb 0.11 -1.66 -0.18 0.00 0.03 0.00 0.00 46.19 44.49 2br2 s LEU 38 CO 0.74 0.10 1.27 0.11 0.23 0.00 0.00 176.35 178.79 2br2 h LYS 39 N 7.23 0.73 -0.60 1.70 6.56 -2.01 -3.30 116.57 126.89 2br2 h LYS 39 Ca -0.33 -0.63 0.00 0.00 -1.06 0.00 0.00 60.65 58.63 2br2 h LYS 39 Cb 1.19 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 2br2 h LYS 39 CO 0.58 1.24 0.00 0.09 -2.06 0.00 0.00 179.45 179.30 2br2 n ASN 40 N -3.98 3.13 -4.66 0.86 3.02 -1.26 -4.86 115.26 107.51 2br2 n ASN 40 Ca -0.08 -2.28 -0.23 0.00 -0.03 0.00 0.00 54.58 51.96 2br2 n ASN 40 Cb 0.75 -0.46 -0.07 0.00 -0.61 0.00 0.00 39.78 39.39 2br2 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br2 s ALA 41 N -1.73 3.22 0.02 5.41 0.00 -1.24 -5.04 121.76 122.39 2br2 s ALA 41 Ca 0.31 -1.71 0.12 0.00 0.00 0.00 0.00 51.96 50.68 2br2 s ALA 41 Cb 0.20 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.64 2br2 s ALA 41 CO 0.15 0.21 1.42 -0.44 0.00 0.00 0.00 175.76 177.10 2br2 h ASP 42 N 1.83 0.00 -4.90 0.00 3.32 -1.30 -3.46 116.42 111.91 2br2 h ASP 42 Ca -0.44 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 2br2 h ASP 42 Cb 1.25 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.61 2br2 h ASP 42 CO 0.61 0.70 0.08 -0.83 -1.72 0.00 0.00 179.24 178.09 2br2 s GLY 43 N -4.55 -0.49 -0.04 2.75 0.00 -1.04 -3.81 107.32 100.14 2br2 s GLY 43 Ca 0.02 1.17 -0.25 0.00 0.00 0.00 0.00 44.72 45.67 2br2 s GLY 43 CO 0.77 0.85 0.54 -1.35 0.00 0.00 0.00 173.10 173.92 2br2 s SER 44 N -1.07 -0.49 -0.05 1.64 1.04 -1.25 -0.08 113.70 113.45 2br2 s SER 44 Ca -0.10 0.50 -0.15 0.00 0.48 0.00 0.00 55.95 56.68 2br2 s SER 44 Cb -0.01 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2br2 s SER 44 CO 0.08 -0.54 0.34 0.00 0.98 0.00 0.00 173.24 174.11 2br2 s ALA 45 N -1.19 -0.87 -0.15 5.32 0.00 -0.78 -0.53 121.76 123.57 2br2 s ALA 45 Ca -0.12 0.57 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 2br2 s ALA 45 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 2br2 s ALA 45 CO 0.08 -0.24 -0.06 0.42 0.00 0.00 0.00 175.76 175.95 2br2 s ILE 46 N -0.91 3.66 -0.07 0.00 1.01 0.62 -1.10 121.20 124.41 2br2 s ILE 46 Ca -0.10 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.15 2br2 s ILE 46 Cb -0.04 -2.59 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 2br2 s ILE 46 CO 0.04 0.50 -0.21 0.12 0.00 0.00 0.00 174.94 175.39 2br2 s PHE 47 N 0.34 2.18 -0.12 3.97 5.36 -0.49 -1.37 117.98 127.85 2br2 s PHE 47 Ca -0.06 -0.76 0.01 0.00 -0.96 0.00 0.00 56.93 55.15 2br2 s PHE 47 Cb -0.15 -1.46 0.02 0.00 -0.34 0.00 0.00 43.02 41.09 2br2 s PHE 47 CO 0.04 -0.29 -0.13 -1.21 -1.46 0.00 0.00 175.22 172.17 2br2 s GLU 48 N 0.19 2.08 -0.29 10.12 2.02 0.78 -1.21 118.70 132.39 2br2 s GLU 48 Ca -0.11 -0.49 -0.03 0.00 0.02 0.00 0.00 54.97 54.36 2br2 s GLU 48 Cb -0.15 -1.88 0.04 0.00 0.10 0.00 0.00 34.13 32.24 2br2 s GLU 48 CO 0.05 -0.16 0.01 -1.64 0.02 0.00 0.00 175.26 173.55 2br2 s MET 49 N 1.28 2.61 4.58 1.61 -1.94 -0.03 -1.23 119.30 126.19 2br2 s MET 49 Ca -0.01 -1.15 0.00 0.00 -1.71 0.00 0.00 55.69 52.82 2br2 s MET 49 Cb -0.14 -3.20 0.00 0.00 2.01 0.00 0.00 34.83 33.51 2br2 s MET 49 CO -0.06 -0.56 0.00 0.41 -0.01 0.00 0.00 175.02 174.80 2br2 n GLY 50 N 4.69 3.39 0.65 -0.03 0.00 0.91 -0.57 105.19 114.24 2br2 n GLY 50 Ca -0.14 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2br2 n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2br2 n ASN 51 N 5.68 2.05 -4.65 1.61 3.02 -1.26 -4.82 115.26 116.87 2br2 n ASN 51 Ca 0.00 -1.68 -0.41 0.00 -0.03 0.00 0.00 54.58 52.46 2br2 n ASN 51 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 2br2 n ASN 51 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2br2 s THR 52 N -2.00 4.90 -0.06 3.41 2.01 0.27 -4.26 115.64 119.90 2br2 s THR 52 Ca 0.34 1.48 0.01 0.00 0.31 0.00 0.00 61.69 63.83 2br2 s THR 52 Cb 0.21 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.66 2br2 s THR 52 CO 0.32 0.00 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.66 2br2 s LYS 53 N 2.42 1.05 0.06 4.92 1.02 -0.06 -0.85 119.74 128.30 2br2 s LYS 53 Ca 0.34 -0.15 0.06 0.00 0.02 0.00 0.00 55.97 56.24 2br2 s LYS 53 Cb -0.16 -1.05 -0.03 0.00 -0.52 0.00 0.00 37.83 36.07 2br2 s LYS 53 CO 0.10 -0.11 -0.17 0.00 -0.92 0.00 0.00 175.35 174.24 2br2 s ALA 54 N 1.10 1.45 -0.04 5.17 0.00 -0.35 -0.14 121.76 128.94 2br2 s ALA 54 Ca -0.08 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 50.92 2br2 s ALA 54 Cb -0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2br2 s ALA 54 CO -0.01 0.28 -0.19 -1.50 0.00 0.00 0.00 175.76 174.34 2br2 s ILE 55 N -1.02 2.64 0.00 0.00 2.07 -0.23 -1.39 121.20 123.28 2br2 s ILE 55 Ca 0.03 -0.88 0.04 0.00 -1.41 0.00 0.00 60.65 58.43 2br2 s ILE 55 Cb -0.09 -1.99 -0.01 0.00 0.13 0.00 0.00 42.46 40.49 2br2 s ILE 55 CO 0.02 0.58 -0.14 0.00 -1.91 0.00 0.00 174.94 173.50 2br2 s ALA 56 N -0.63 1.14 -0.00 1.50 0.00 -0.26 -0.76 121.76 122.74 2br2 s ALA 56 Ca 0.10 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.46 2br2 s ALA 56 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2br2 s ALA 56 CO 0.00 0.26 -0.16 0.00 0.00 0.00 0.00 175.76 175.87 2br2 s ALA 57 N -0.45 1.30 -0.11 0.00 0.00 0.27 -1.86 121.76 120.91 2br2 s ALA 57 Ca 0.04 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2br2 s ALA 57 Cb -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2br2 s ALA 57 CO -0.00 0.31 -0.17 0.08 0.00 0.00 0.00 175.76 175.98 2br2 s VAL 58 N -0.43 2.67 -0.38 0.00 1.01 0.89 -0.65 120.40 123.52 2br2 s VAL 58 Ca 0.06 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2br2 s VAL 58 Cb -0.06 -2.08 0.08 0.00 0.00 0.00 0.00 36.38 34.32 2br2 s VAL 58 CO -0.00 0.55 0.16 -0.31 0.00 0.00 0.00 175.10 175.49 2br2 s TYR 59 N 0.19 3.39 1.26 5.22 1.51 -0.10 -0.80 117.35 128.03 2br2 s TYR 59 Ca -0.10 -1.88 -0.19 0.00 -1.01 0.00 0.00 57.07 53.89 2br2 s TYR 59 Cb -0.16 -2.74 0.29 0.00 -0.11 0.00 0.00 41.96 39.24 2br2 s TYR 59 CO 0.06 -0.86 0.65 0.41 -1.11 0.00 0.00 175.55 174.70 2br2 n GLY 60 N 4.73 -3.18 3.68 0.71 0.00 -1.26 -2.51 105.19 107.34 2br2 n GLY 60 Ca -0.09 -1.29 -0.46 0.00 0.00 0.00 0.00 46.02 44.18 2br2 n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2br2 n PRO 61 N -4.06 2.24 -3.75 1.61 -0.02 -1.26 -4.66 135.00 125.11 2br2 n PRO 61 Ca 0.09 0.81 -0.13 0.00 -2.02 0.00 0.00 63.50 62.25 2br2 n PRO 61 Cb 0.49 -2.62 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 2br2 n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2br2 s LYS 62 N 1.90 0.59 0.26 -0.52 -2.85 -0.93 -4.95 119.74 113.24 2br2 s LYS 62 Ca 0.82 0.08 -0.29 0.00 -1.00 0.00 0.00 55.97 55.59 2br2 s LYS 62 Cb -0.66 0.27 -0.15 0.00 -2.06 0.00 0.00 37.83 35.24 2br2 s LYS 62 CO 0.41 -0.14 0.99 0.39 0.10 0.00 0.00 175.35 177.10 2br2 n GLU 63 N 1.86 1.20 -3.54 1.78 1.02 -1.26 -0.24 120.64 121.45 2br2 n GLU 63 Ca -0.18 0.42 -0.36 0.00 -0.02 0.00 0.00 57.16 57.01 2br2 n GLU 63 Cb 0.57 -1.78 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 2br2 n GLU 63 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2br2 s MET 64 N -1.31 4.26 0.00 3.49 1.75 -1.19 -4.69 119.30 121.61 2br2 s MET 64 Ca 0.61 0.08 0.00 0.00 -1.25 0.00 0.00 55.69 55.13 2br2 s MET 64 Cb -0.75 -3.43 0.00 0.00 2.84 0.00 0.00 34.83 33.49 2br2 s MET 64 CO 0.58 0.23 0.66 -2.39 -0.65 0.00 0.00 175.02 173.45 2br2 n HIS 65 N 3.60 0.00 -3.21 4.11 1.44 -1.26 -3.86 115.22 116.04 2br2 n HIS 65 Ca -0.12 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.17 2br2 n HIS 65 Cb 0.52 -0.20 -0.08 0.00 0.12 0.00 0.00 29.99 30.36 2br2 n HIS 65 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2br2 s PRO 66 N -1.85 3.58 0.42 -1.40 0.05 -1.26 -4.97 135.00 129.57 2br2 s PRO 66 Ca 0.00 -0.17 0.12 0.00 0.05 0.00 0.00 61.00 61.00 2br2 s PRO 66 Cb 0.00 -3.83 0.96 0.00 0.05 0.00 0.00 34.50 31.68 2br2 s PRO 66 CO 0.00 -0.70 1.98 -0.09 0.05 0.00 0.00 177.00 178.24 2br2 h ARG 67 N 8.51 0.47 0.00 4.56 2.43 -1.99 -1.21 114.38 127.15 2br2 h ARG 67 Ca -0.27 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2br2 h ARG 67 Cb 1.12 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2br2 h ARG 67 CO 0.80 0.31 -0.00 1.12 -1.51 0.00 0.00 179.97 180.69 2br2 h HIS 68 N 0.48 0.00 -0.01 2.20 2.07 -1.93 -0.48 115.15 117.49 2br2 h HIS 68 Ca 0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 2br2 h HIS 68 Cb 0.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.41 2br2 h HIS 68 CO -0.00 0.00 -0.20 1.28 -3.07 0.00 0.00 177.93 175.94 2br2 n LEU 69 N -3.09 0.85 -4.94 6.12 4.77 -0.46 -4.90 117.00 115.35 2br2 n LEU 69 Ca -0.03 -0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 2br2 n LEU 69 Cb 0.09 -0.14 0.09 0.00 -2.33 0.00 0.00 43.42 41.13 2br2 n LEU 69 CO 0.21 0.16 0.63 -0.94 -1.33 0.00 0.00 177.39 176.12 2br2 s SER 70 N -2.48 4.47 0.04 -1.43 1.04 -0.19 -5.00 113.70 110.15 2br2 s SER 70 Ca 0.26 0.25 0.08 0.00 0.48 0.00 0.00 55.95 57.02 2br2 s SER 70 Cb 0.20 -0.76 -0.03 0.00 0.10 0.00 0.00 66.02 65.53 2br2 s SER 70 CO 0.50 -1.81 -0.24 -0.76 0.98 0.00 0.00 173.24 171.90 2br2 s LEU 71 N -5.31 2.16 0.47 2.42 1.43 -1.26 -5.02 118.68 113.57 2br2 s LEU 71 Ca 0.63 -0.55 0.26 0.00 -1.03 0.00 0.00 54.13 53.45 2br2 s LEU 71 Cb -0.09 -1.16 0.73 0.00 0.03 0.00 0.00 46.19 45.70 2br2 s LEU 71 CO 0.46 0.23 1.75 1.55 0.23 0.00 0.00 176.35 180.56 2br2 h PRO 72 N 4.89 0.00 0.00 1.29 0.13 -1.97 -0.89 132.00 135.46 2br2 h PRO 72 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2br2 h PRO 72 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2br2 h PRO 72 CO 0.44 0.05 -0.56 -0.40 -0.23 0.00 0.00 178.00 177.30 2br2 n ASP 73 N -3.12 1.22 -4.04 1.44 5.75 -1.26 -4.57 116.55 111.96 2br2 n ASP 73 Ca 0.02 -0.46 -0.09 0.00 -0.01 0.00 0.00 54.79 54.26 2br2 n ASP 73 Cb 0.46 1.08 -0.09 0.00 -1.03 0.00 0.00 41.12 41.53 2br2 n ASP 73 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2br2 s ARG 74 N -1.79 0.83 0.40 0.11 0.52 -1.26 -4.39 118.95 113.38 2br2 s ARG 74 Ca 0.01 -1.23 -0.17 0.00 -0.52 0.00 0.00 55.73 53.82 2br2 s ARG 74 Cb 0.04 0.27 -0.09 0.00 0.52 0.00 0.00 34.95 35.69 2br2 s ARG 74 CO 0.24 -0.23 0.87 0.00 0.02 0.00 0.00 175.30 176.19 2br2 s ALA 75 N -3.95 3.17 -0.20 2.13 0.00 0.14 -2.88 121.76 120.15 2br2 s ALA 75 Ca 0.13 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 2br2 s ALA 75 Cb 0.07 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2br2 s ALA 75 CO -0.05 0.14 0.31 0.08 0.00 0.00 0.00 175.76 176.24 2br2 s VAL 76 N -2.19 5.26 -0.03 0.00 1.01 -0.04 -4.93 120.40 119.49 2br2 s VAL 76 Ca 0.58 0.53 -0.22 0.00 0.00 0.00 0.00 61.98 62.87 2br2 s VAL 76 Cb -0.10 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2br2 s VAL 76 CO 0.19 0.30 0.64 -0.76 0.00 0.00 0.00 175.10 175.47 2br2 s LEU 77 N 1.08 4.37 -0.21 3.92 1.43 -1.26 -0.97 118.68 127.03 2br2 s LEU 77 Ca 0.15 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 2br2 s LEU 77 Cb -0.14 -3.00 0.03 0.00 0.03 0.00 0.00 46.19 43.11 2br2 s LEU 77 CO 0.06 -0.00 -0.15 -0.13 0.23 0.00 0.00 176.35 176.36 2br2 s ARG 78 N 0.28 2.82 -0.05 1.70 0.52 -0.49 -4.95 118.95 118.78 2br2 s ARG 78 Ca 0.34 -0.96 0.06 0.00 -0.52 0.00 0.00 55.73 54.65 2br2 s ARG 78 Cb -0.18 -2.74 -0.01 0.00 0.52 0.00 0.00 34.95 32.54 2br2 s ARG 78 CO 0.17 -0.32 -0.22 0.08 0.02 0.00 0.00 175.30 175.03 2br2 s VAL 79 N 1.27 1.81 -0.19 3.52 1.01 -1.26 -0.32 120.40 126.23 2br2 s VAL 79 Ca 0.01 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2br2 s VAL 79 Cb -0.15 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.72 2br2 s VAL 79 CO -0.09 0.51 -0.16 -0.60 0.00 0.00 0.00 175.10 174.76 2br2 s ARG 80 N -0.13 2.56 -0.26 2.72 3.52 -0.66 -4.90 118.95 121.79 2br2 s ARG 80 Ca -0.02 -0.85 -0.10 0.00 -0.13 0.00 0.00 55.73 54.63 2br2 s ARG 80 Cb -0.12 -2.48 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 2br2 s ARG 80 CO 0.03 -0.31 0.17 -0.47 -0.81 0.00 0.00 175.30 173.91 2br2 s TYR 81 N 1.33 3.24 -0.05 5.12 5.04 -1.26 -1.22 117.35 129.55 2br2 s TYR 81 Ca 0.02 0.11 -0.04 0.00 -2.44 0.00 0.00 57.07 54.71 2br2 s TYR 81 Cb -0.15 -2.33 0.01 0.00 0.35 0.00 0.00 41.96 39.85 2br2 s TYR 81 CO -0.10 -0.10 0.12 -1.58 -1.34 0.00 0.00 175.55 172.55 2br2 s HIS 82 N 1.51 -0.13 -0.20 4.97 2.46 -0.92 -4.81 115.29 118.17 2br2 s HIS 82 Ca 0.07 0.32 -0.07 0.00 0.47 0.00 0.00 55.06 55.85 2br2 s HIS 82 Cb -0.15 0.04 -0.03 0.00 -0.13 0.00 0.00 32.58 32.31 2br2 s HIS 82 CO 0.08 -0.07 0.05 -1.64 -2.47 0.00 0.00 174.74 170.69 2br2 s MET 83 N 0.04 3.82 0.53 2.88 1.00 -1.26 0.04 119.30 126.34 2br2 s MET 83 Ca -0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 55.69 55.06 2br2 s MET 83 Cb -0.01 -3.19 -0.06 0.00 0.00 0.00 0.00 34.83 31.58 2br2 s MET 83 CO 0.00 0.13 1.22 0.95 0.00 0.00 0.00 175.02 177.32 2br2 s THR 84 N 0.75 2.74 0.59 2.05 -4.23 -0.61 -4.84 115.64 112.08 2br2 s THR 84 Ca 0.02 0.52 0.28 0.00 -1.18 0.00 0.00 61.69 61.33 2br2 s THR 84 Cb -0.14 -3.24 0.36 0.00 1.34 0.00 0.00 72.50 70.82 2br2 s THR 84 CO 0.02 -0.04 2.10 -0.65 -0.54 0.00 0.00 174.62 175.50 2br2 h PRO 85 N 1.49 0.00 -0.56 3.99 0.11 -1.90 -1.83 132.00 133.30 2br2 h PRO 85 Ca -0.50 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2br2 h PRO 85 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 2br2 h PRO 85 CO 0.58 0.00 0.05 1.97 -0.21 0.00 0.00 178.00 180.39 2br2 n PHE 86 N -3.82 1.97 0.60 0.65 1.16 -1.26 -2.14 117.46 114.62 2br2 n PHE 86 Ca 0.02 -0.86 0.12 0.00 -1.87 0.00 0.00 57.45 54.86 2br2 n PHE 86 Cb 0.33 -0.52 0.24 0.00 -1.61 0.00 0.00 39.48 37.92 2br2 n PHE 86 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2br2 n SER 87 N 0.26 0.72 -4.47 5.98 3.41 -0.69 -4.86 113.62 113.97 2br2 n SER 87 Ca 0.30 0.23 -0.27 0.00 -0.26 0.00 0.00 58.87 58.88 2br2 n SER 87 Cb 1.19 -0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.96 2br2 n SER 87 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2br2 s THR 88 N -3.14 1.20 0.14 6.66 -4.23 -1.26 -0.40 115.64 114.61 2br2 s THR 88 Ca 0.08 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.47 2br2 s THR 88 Cb 0.13 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2br2 s THR 88 CO 0.69 0.00 1.51 0.44 -0.54 0.00 0.00 174.62 176.72 2br2 h ASP 89 N 1.79 0.96 -2.94 3.99 3.32 -1.91 -3.41 116.42 118.21 2br2 h ASP 89 Ca -0.41 -0.42 -0.63 0.00 0.02 0.00 0.00 57.03 55.59 2br2 h ASP 89 Cb 1.27 -0.27 -0.09 0.00 0.22 0.00 0.00 39.33 40.46 2br2 h ASP 89 CO 0.70 1.17 -0.44 -1.61 -1.72 0.00 0.00 179.24 177.34 2br2 s GLU 90 N -4.59 3.80 0.10 3.56 2.02 -1.26 -5.04 118.70 117.30 2br2 s GLU 90 Ca -0.12 -0.07 -0.31 0.00 0.02 0.00 0.00 54.97 54.49 2br2 s GLU 90 Cb 0.11 -3.29 -0.10 0.00 0.10 0.00 0.00 34.13 30.95 2br2 s GLU 90 CO 0.86 0.57 1.88 -2.13 0.02 0.00 0.00 175.26 176.46 2br2 n ARG 91 N 2.60 2.84 -2.71 1.61 0.63 -1.26 -4.92 116.66 115.45 2br2 n ARG 91 Ca -0.17 1.03 -0.40 0.00 -0.92 0.00 0.00 57.85 57.39 2br2 n ARG 91 Cb 0.53 -2.95 -0.05 0.00 0.45 0.00 0.00 32.46 30.44 2br2 n ARG 91 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2br2 s LYS 92 N 3.17 4.78 0.09 -0.14 1.02 -0.91 -5.03 119.74 122.71 2br2 s LYS 92 Ca 0.84 1.51 -0.31 0.00 0.02 0.00 0.00 55.97 58.03 2br2 s LYS 92 Cb -0.46 -3.30 -0.08 0.00 -0.52 0.00 0.00 37.83 33.46 2br2 s LYS 92 CO 0.38 0.38 1.61 1.21 -0.92 0.00 0.00 175.35 178.01 2br2 s ASN 93 N -0.73 6.62 0.59 2.83 3.84 -1.26 -4.30 114.94 122.52 2br2 s ASN 93 Ca 0.44 2.48 0.35 0.00 0.21 0.00 0.00 52.86 56.34 2br2 s ASN 93 Cb -0.26 -2.57 1.81 0.00 -0.55 0.00 0.00 41.25 39.68 2br2 s ASN 93 CO 0.32 -0.86 2.17 1.55 -2.79 0.00 0.00 177.10 177.50 2br2 h PRO 94 N 7.94 0.00 -6.83 0.43 0.13 -1.96 -3.43 132.00 128.28 2br2 h PRO 94 Ca -0.42 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.15 2br2 h PRO 94 Cb 1.20 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.44 2br2 h PRO 94 CO 0.92 0.04 0.65 0.00 -0.23 0.00 0.00 178.00 179.39 2br2 n ALA 95 N -2.17 1.86 -2.08 -0.56 0.00 -1.26 -4.89 120.51 111.41 2br2 n ALA 95 Ca -0.02 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 2br2 n ALA 95 Cb 0.18 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 2br2 n ALA 95 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2br2 s PRO 96 N -1.85 4.41 0.51 0.00 0.02 -1.26 -5.01 135.00 131.81 2br2 s PRO 96 Ca 0.55 1.99 -0.04 0.00 0.02 0.00 0.00 61.00 63.53 2br2 s PRO 96 Cb -0.52 -3.23 -0.01 0.00 0.02 0.00 0.00 34.50 30.76 2br2 s PRO 96 CO 0.62 -0.24 0.78 -1.54 -0.33 0.00 0.00 177.00 176.29 2br2 s SER 97 N 0.47 5.88 0.34 2.53 1.04 -1.26 -4.92 113.70 117.78 2br2 s SER 97 Ca 0.57 0.63 0.07 0.00 0.48 0.00 0.00 55.95 57.70 2br2 s SER 97 Cb -0.35 -1.82 0.76 0.00 0.10 0.00 0.00 66.02 64.70 2br2 s SER 97 CO 0.36 -0.78 1.87 0.03 0.98 0.00 0.00 173.24 175.70 2br2 h ARG 98 N 0.15 0.74 -0.42 4.02 3.08 -1.99 -0.00 114.38 119.96 2br2 h ARG 98 Ca -0.46 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.55 2br2 h ARG 98 Cb 1.24 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 2br2 h ARG 98 CO 0.60 0.49 0.27 -0.09 -1.07 0.00 0.00 179.97 180.17 2br2 h ARG 99 N 0.76 0.54 -0.28 0.04 2.43 -1.99 -0.78 114.38 115.09 2br2 h ARG 99 Ca 0.45 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.50 2br2 h ARG 99 Cb 0.63 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2br2 h ARG 99 CO -0.21 0.36 -0.19 0.93 -1.51 0.00 0.00 179.97 179.35 2br2 h GLU 100 N 0.55 0.51 -0.16 0.20 5.08 -1.48 -1.12 114.58 118.17 2br2 h GLU 100 Ca 0.16 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2br2 h GLU 100 Cb -0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2br2 h GLU 100 CO -0.05 0.68 -0.01 0.82 -1.00 0.00 0.00 179.01 179.45 2br2 h ILE 101 N 0.46 1.26 -0.12 3.13 2.04 -0.75 -0.78 117.51 122.75 2br2 h ILE 101 Ca 0.08 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 2br2 h ILE 101 Cb 0.59 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 2br2 h ILE 101 CO 0.04 0.26 0.06 -0.08 0.00 0.00 0.00 178.15 178.43 2br2 h GLU 102 N 0.03 0.17 -0.23 2.37 4.81 -0.95 -2.87 114.58 117.91 2br2 h GLU 102 Ca 0.04 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 2br2 h GLU 102 Cb 0.40 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2br2 h GLU 102 CO 0.01 0.22 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.30 2br2 h LEU 103 N 0.08 0.37 -0.31 1.64 3.38 -1.18 -0.33 115.31 118.96 2br2 h LEU 103 Ca 0.04 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2br2 h LEU 103 Cb 0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2br2 h LEU 103 CO -0.01 0.53 0.16 0.28 0.09 0.00 0.00 178.44 179.49 2br2 h SER 104 N 0.36 0.23 0.11 -0.43 0.02 -1.04 0.12 113.55 112.92 2br2 h SER 104 Ca 0.07 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2br2 h SER 104 Cb 0.45 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2br2 h SER 104 CO 0.03 0.17 -0.05 0.50 -1.14 0.00 0.00 176.83 176.34 2br2 h LYS 105 N 0.32 -0.15 -0.51 3.45 3.64 -1.15 0.11 116.57 122.29 2br2 h LYS 105 Ca 0.13 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2br2 h LYS 105 Cb 0.04 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 2br2 h LYS 105 CO -0.09 -0.04 0.27 0.28 -2.27 0.00 0.00 179.45 177.60 2br2 h VAL 106 N -0.21 0.97 -0.32 2.00 2.07 -0.86 -0.48 116.25 119.42 2br2 h VAL 106 Ca -0.02 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2br2 h VAL 106 Cb 0.17 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2br2 h VAL 106 CO 0.03 0.09 0.07 0.40 0.02 0.00 0.00 177.57 178.18 2br2 h ILE 107 N 0.52 1.22 -0.48 4.57 2.04 -0.69 -2.28 117.51 122.41 2br2 h ILE 107 Ca 0.22 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 65.40 2br2 h ILE 107 Cb 0.12 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 2br2 h ILE 107 CO -0.15 0.25 0.13 -0.09 0.00 0.00 0.00 178.15 178.29 2br2 h ARG 108 N 0.35 0.27 -0.42 2.37 2.43 -0.25 -1.46 114.38 117.66 2br2 h ARG 108 Ca 0.10 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2br2 h ARG 108 Cb 0.31 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2br2 h ARG 108 CO 0.00 0.18 -0.01 0.93 -1.51 0.00 0.00 179.97 179.56 2br2 h GLU 109 N 0.28 0.69 -0.40 0.20 5.08 -1.00 0.05 114.58 119.48 2br2 h GLU 109 Ca 0.24 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2br2 h GLU 109 Cb 0.29 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2br2 h GLU 109 CO -0.28 0.71 0.25 0.00 -1.00 0.00 0.00 179.01 178.69 2br2 h ALA 110 N 1.35 0.51 -0.41 3.43 0.00 -0.81 -2.61 119.26 120.72 2br2 h ALA 110 Ca 0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2br2 h ALA 110 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2br2 h ALA 110 CO 0.02 -0.06 -0.20 -0.07 0.00 0.00 0.00 179.25 178.94 2br2 h LEU 111 N 0.51 0.80 -1.79 0.00 3.38 -0.59 -2.94 115.31 114.69 2br2 h LEU 111 Ca 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2br2 h LEU 111 Cb -0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2br2 h LEU 111 CO -0.05 0.98 -0.12 -0.33 0.09 0.00 0.00 178.44 179.01 2br2 h GLU 112 N 0.70 0.00 0.00 1.13 5.08 -0.72 0.12 114.58 120.89 2br2 h GLU 112 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2br2 h GLU 112 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2br2 h GLU 112 CO 0.05 0.12 0.00 0.66 -1.00 0.00 0.00 179.01 178.84 2br2 h SER 113 N 0.00 0.00 0.00 1.42 4.64 -1.28 -3.34 113.55 114.99 2br2 h SER 113 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 2br2 h SER 113 Cb 0.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 2br2 h SER 113 CO 0.02 0.00 -2.08 0.00 -0.87 0.00 0.00 176.83 173.89 2br2 n ALA 114 N -1.85 1.63 -2.48 5.18 0.00 -0.17 -4.85 120.51 117.98 2br2 n ALA 114 Ca 0.03 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 2br2 n ALA 114 Cb 0.31 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 2br2 n ALA 114 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2br2 s VAL 115 N -2.37 4.27 -1.27 0.00 1.01 0.22 0.26 120.40 122.52 2br2 s VAL 115 Ca -0.26 1.65 -0.16 0.00 0.00 0.00 0.00 61.98 63.20 2br2 s VAL 115 Cb 0.08 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 2br2 s VAL 115 CO 0.41 0.14 2.13 0.18 0.00 0.00 0.00 175.10 177.95 2br2 n LEU 116 N 3.82 6.03 0.29 3.92 4.77 -0.79 -4.75 117.00 130.28 2br2 n LEU 116 Ca 0.08 -3.79 0.15 0.00 -0.03 0.00 0.00 56.01 52.41 2br2 n LEU 116 Cb 0.48 -1.52 0.89 0.00 -2.33 0.00 0.00 43.42 40.93 2br2 n LEU 116 CO 0.54 0.65 1.09 -0.37 -1.33 0.00 0.00 177.39 177.98 2br2 h VAL 117 N 4.21 0.51 0.00 4.08 -1.51 -1.89 -2.50 116.25 119.15 2br2 h VAL 117 Ca 0.52 -0.13 -0.01 0.00 -1.23 0.00 0.00 66.70 65.85 2br2 h VAL 117 Cb 0.66 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2br2 h VAL 117 CO 1.89 0.03 -0.07 -0.33 -1.23 0.00 0.00 177.57 177.86 2br2 h GLU 118 N 0.00 0.00 0.00 5.19 3.07 -1.86 0.64 114.58 121.62 2br2 h GLU 118 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2br2 h GLU 118 Cb 0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2br2 h GLU 118 CO 0.00 0.07 -0.01 -0.07 -1.40 0.00 0.00 179.01 177.60 2br2 h LEU 119 N 0.00 0.00 -6.05 1.33 4.07 -1.72 -3.37 115.31 109.58 2br2 h LEU 119 Ca -0.00 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.38 2br2 h LEU 119 Cb 0.21 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.55 2br2 h LEU 119 CO 0.01 0.01 -0.84 0.49 -1.08 0.00 0.00 178.44 177.03 2br2 n PHE 120 N -3.12 1.84 -1.62 1.13 3.01 -0.73 -5.04 117.46 112.92 2br2 n PHE 120 Ca -0.01 -3.88 -0.35 0.00 1.01 0.00 0.00 57.45 54.22 2br2 n PHE 120 Cb 0.22 -0.46 0.07 0.00 -0.01 0.00 0.00 39.48 39.30 2br2 n PHE 120 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2br2 s PRO 121 N -2.00 2.41 -0.68 -1.08 0.02 -1.26 -2.36 135.00 130.05 2br2 s PRO 121 Ca 0.38 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.24 2br2 s PRO 121 Cb 0.18 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.84 2br2 s PRO 121 CO -0.06 -1.65 0.00 0.54 -0.33 0.00 0.00 177.00 175.50 2br2 n ARG 122 N -2.30 -1.45 -4.33 5.54 5.12 -0.34 -4.86 116.66 114.05 2br2 n ARG 122 Ca 0.14 0.66 -0.25 0.00 -1.93 0.00 0.00 57.85 56.48 2br2 n ARG 122 Cb 0.50 -4.87 -0.08 0.00 -1.16 0.00 0.00 32.46 26.84 2br2 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2br2 s THR 123 N -1.74 2.63 0.00 0.55 -4.23 -1.18 -3.17 115.64 108.51 2br2 s THR 123 Ca 0.00 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 58.63 2br2 s THR 123 Cb 0.00 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 2br2 s THR 123 CO 0.00 -0.19 -0.25 0.00 -0.54 0.00 0.00 174.62 173.64 2br2 s ALA 124 N -2.52 2.25 -0.24 3.99 0.00 0.67 -0.86 121.76 125.05 2br2 s ALA 124 Ca 0.35 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 2br2 s ALA 124 Cb 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.57 2br2 s ALA 124 CO 0.19 0.54 -0.05 0.42 0.00 0.00 0.00 175.76 176.86 2br2 s ILE 125 N -0.70 3.02 -0.22 0.00 1.01 -0.14 -2.19 121.20 121.97 2br2 s ILE 125 Ca 0.11 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 2br2 s ILE 125 Cb -0.10 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 2br2 s ILE 125 CO 0.00 0.25 0.24 -1.81 0.00 0.00 0.00 174.94 173.63 2br2 s ASP 126 N 1.37 6.24 -0.25 3.58 1.01 -1.05 -1.40 116.67 126.18 2br2 s ASP 126 Ca 0.02 0.27 0.02 0.00 0.71 0.00 0.00 52.55 53.57 2br2 s ASP 126 Cb -0.16 -2.15 0.05 0.00 1.01 0.00 0.00 42.92 41.67 2br2 s ASP 126 CO -0.04 0.03 -0.11 -0.69 0.21 0.00 0.00 175.17 174.56 2br2 s VAL 127 N 1.08 2.27 -0.16 -1.27 1.01 0.56 -0.92 120.40 122.96 2br2 s VAL 127 Ca 0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 2br2 s VAL 127 Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2br2 s VAL 127 CO 0.05 0.07 -0.02 -0.36 0.00 0.00 0.00 175.10 174.84 2br2 s PHE 128 N 1.16 3.07 -0.06 5.22 0.40 0.18 -1.66 117.98 126.28 2br2 s PHE 128 Ca -0.06 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 2br2 s PHE 128 Cb -0.19 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.37 2br2 s PHE 128 CO -0.06 0.00 -0.17 0.99 0.70 0.00 0.00 175.22 176.69 2br2 s THR 129 N 0.35 1.45 -0.08 0.64 2.01 -0.36 -0.57 115.64 119.09 2br2 s THR 129 Ca -0.03 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2br2 s THR 129 Cb -0.14 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.12 2br2 s THR 129 CO 0.02 0.42 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.68 2br2 s GLU 130 N 0.33 1.41 -0.30 4.92 0.41 0.06 -2.17 118.70 123.35 2br2 s GLU 130 Ca -0.11 -0.26 -0.24 0.00 -0.41 0.00 0.00 54.97 53.96 2br2 s GLU 130 Cb -0.14 -1.36 0.00 0.00 -1.78 0.00 0.00 34.13 30.85 2br2 s GLU 130 CO 0.04 -0.13 0.79 0.42 -0.49 0.00 0.00 175.26 175.89 2br2 s ILE 131 N 1.23 4.79 -0.08 -1.63 1.09 0.11 -1.06 121.20 125.64 2br2 s ILE 131 Ca -0.05 1.21 0.02 0.00 -1.10 0.00 0.00 60.65 60.73 2br2 s ILE 131 Cb -0.14 -4.15 -0.25 0.00 -1.06 0.00 0.00 42.46 36.86 2br2 s ILE 131 CO -0.02 -0.25 0.52 0.18 -0.10 0.00 0.00 174.94 175.27 2br2 n LEU 132 N 6.21 1.81 -3.84 2.97 4.77 0.80 -1.57 117.00 128.15 2br2 n LEU 132 Ca 0.04 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2br2 n LEU 132 Cb 0.48 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.91 2br2 n LEU 132 CO 0.50 0.63 -0.29 -1.10 -1.33 0.00 0.00 177.39 175.81 2br2 s GLN 133 N -2.58 0.07 -0.16 3.23 -0.21 -1.14 -4.10 119.66 114.78 2br2 s GLN 133 Ca -0.14 0.12 -0.02 0.00 0.02 0.00 0.00 55.36 55.34 2br2 s GLN 133 Cb 0.07 -0.00 -0.01 0.00 1.00 0.00 0.00 33.01 34.07 2br2 s GLN 133 CO 0.80 -0.03 -0.09 0.00 -2.12 0.00 0.00 175.29 173.84 2br2 s ALA 134 N 0.20 2.74 -0.33 6.09 0.00 0.46 -0.89 121.76 130.03 2br2 s ALA 134 Ca -0.01 -0.95 0.17 0.00 0.00 0.00 0.00 51.96 51.17 2br2 s ALA 134 Cb -0.02 -1.40 0.45 0.00 0.00 0.00 0.00 23.12 22.15 2br2 s ALA 134 CO -0.01 0.07 1.02 -3.47 0.00 0.00 0.00 175.76 173.37 2br2 n ASP 135 N 3.85 0.99 -0.82 0.00 2.03 -1.26 -4.78 116.55 116.56 2br2 n ASP 135 Ca -0.18 -2.64 0.00 0.00 0.52 0.00 0.00 54.79 52.49 2br2 n ASP 135 Cb 0.52 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 2br2 n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2br2 n ALA 136 N -0.17 -1.37 -0.81 -1.67 0.00 -1.26 -3.36 120.51 111.87 2br2 n ALA 136 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2br2 n ALA 136 Cb 0.82 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2br2 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2br2 n GLY 137 N -1.77 0.57 0.31 0.00 0.00 -1.26 -4.76 105.19 98.27 2br2 n GLY 137 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.76 2br2 n GLY 137 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2br2 h SER 138 N 0.00 0.72 -0.57 1.61 0.02 -1.95 -1.33 113.55 112.05 2br2 h SER 138 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2br2 h SER 138 Cb 0.00 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2br2 h SER 138 CO 0.00 0.44 0.37 0.08 -1.14 0.00 0.00 176.83 176.57 2br2 h ARG 139 N 0.84 0.77 0.11 3.45 0.11 -1.99 0.20 114.38 117.87 2br2 h ARG 139 Ca 0.38 -0.05 -0.24 0.00 0.10 0.00 0.00 59.98 60.16 2br2 h ARG 139 Cb 0.28 -0.17 0.02 0.00 1.11 0.00 0.00 29.97 31.21 2br2 h ARG 139 CO -0.21 0.52 -1.02 -0.07 0.10 0.00 0.00 179.97 179.29 2br2 h LEU 140 N 0.79 0.71 -0.49 0.08 3.38 -1.68 -1.47 115.31 116.63 2br2 h LEU 140 Ca 0.21 -0.85 0.01 0.00 0.09 0.00 0.00 57.88 57.34 2br2 h LEU 140 Cb -0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2br2 h LEU 140 CO -0.04 1.49 0.32 0.58 0.09 0.00 0.00 178.44 180.88 2br2 h VAL 141 N 0.04 1.12 -0.35 1.22 2.07 -0.99 0.68 116.25 120.04 2br2 h VAL 141 Ca -0.16 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.18 2br2 h VAL 141 Cb 1.74 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 2br2 h VAL 141 CO 0.20 0.12 0.12 -1.28 0.02 0.00 0.00 177.57 176.74 2br2 h SER 142 N 0.66 0.12 -0.47 0.57 0.87 -0.66 0.26 113.55 114.91 2br2 h SER 142 Ca 0.18 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2br2 h SER 142 Cb -0.07 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2br2 h SER 142 CO -0.04 0.11 0.23 0.25 -0.53 0.00 0.00 176.83 176.85 2br2 h LEU 143 N 0.27 0.61 -0.46 2.23 5.85 -0.70 -0.28 115.31 122.83 2br2 h LEU 143 Ca 0.16 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2br2 h LEU 143 Cb 0.14 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2br2 h LEU 143 CO -0.17 0.56 -0.01 0.24 -0.34 0.00 0.00 178.44 178.72 2br2 h MET 144 N 0.62 0.81 -0.66 1.25 2.86 -0.67 -0.02 114.93 119.11 2br2 h MET 144 Ca 0.16 -0.26 0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2br2 h MET 144 Cb 0.11 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.64 2br2 h MET 144 CO -0.02 0.87 0.36 0.00 1.06 0.00 0.00 176.91 179.18 2br2 h ALA 145 N 0.91 0.88 0.16 6.32 0.00 -0.71 -0.56 119.26 126.26 2br2 h ALA 145 Ca 0.13 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2br2 h ALA 145 Cb 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2br2 h ALA 145 CO 0.03 0.02 -0.19 0.00 0.00 0.00 0.00 179.25 179.11 2br2 h ALA 146 N 1.35 -0.36 -0.61 0.00 0.00 -0.70 0.80 119.26 119.75 2br2 h ALA 146 Ca 0.30 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.27 2br2 h ALA 146 Cb 0.20 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 2br2 h ALA 146 CO -0.19 -0.73 0.16 1.03 0.00 0.00 0.00 179.25 179.51 2br2 h SER 147 N -0.40 0.06 0.14 0.00 0.87 -0.33 -0.02 113.55 113.87 2br2 h SER 147 Ca 0.01 0.10 -0.16 0.00 -1.23 0.00 0.00 61.79 60.52 2br2 h SER 147 Cb 0.38 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2br2 h SER 147 CO -0.06 0.04 -0.58 -0.07 -0.53 0.00 0.00 176.83 175.63 2br2 h LEU 148 N 0.30 0.51 -0.79 2.23 3.38 -0.96 -1.99 115.31 117.99 2br2 h LEU 148 Ca 0.32 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2br2 h LEU 148 Cb 0.46 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2br2 h LEU 148 CO -0.38 0.97 0.02 0.00 0.09 0.00 0.00 178.44 179.14 2br2 h ALA 149 N 1.03 0.99 -0.57 1.53 0.00 0.20 0.23 119.26 122.66 2br2 h ALA 149 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2br2 h ALA 149 Cb 1.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2br2 h ALA 149 CO 0.10 0.62 0.35 -0.07 0.00 0.00 0.00 179.25 180.25 2br2 h LEU 150 N 0.87 0.68 -0.65 0.00 3.38 -0.90 0.08 115.31 118.78 2br2 h LEU 150 Ca 0.16 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2br2 h LEU 150 Cb 0.48 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2br2 h LEU 150 CO 0.02 0.54 0.30 0.00 0.09 0.00 0.00 178.44 179.39 2br2 h ALA 151 N 1.18 0.84 -0.18 1.53 0.00 -0.87 -1.86 119.26 119.89 2br2 h ALA 151 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2br2 h ALA 151 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2br2 h ALA 151 CO -0.04 0.41 -0.04 0.22 0.00 0.00 0.00 179.25 179.80 2br2 h ASP 152 N 0.90 0.24 0.87 0.00 3.58 -0.18 -0.28 116.42 121.54 2br2 h ASP 152 Ca 0.22 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2br2 h ASP 152 Cb 0.13 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2br2 h ASP 152 CO -0.03 0.32 0.00 0.00 -2.88 0.00 0.00 179.24 176.65 2br2 n ALA 153 N -2.49 2.18 -1.25 -0.78 0.00 -0.02 -4.70 120.51 113.45 2br2 n ALA 153 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 2br2 n ALA 153 Cb 0.20 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 2br2 n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2br2 n GLY 154 N 1.15 0.50 3.66 0.00 0.00 -0.12 -4.90 105.19 105.48 2br2 n GLY 154 Ca 0.06 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 2br2 n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br2 s ILE 155 N -2.09 4.82 0.22 -0.61 1.01 -0.76 -5.00 121.20 118.79 2br2 s ILE 155 Ca 0.00 1.70 -0.31 0.00 0.00 0.00 0.00 60.65 62.04 2br2 s ILE 155 Cb 0.00 -4.17 -0.10 0.00 0.01 0.00 0.00 42.46 38.20 2br2 s ILE 155 CO 0.00 -0.05 1.54 -2.84 0.00 0.00 0.00 174.94 173.58 2br2 s PRO 156 N 2.62 4.21 0.13 2.79 0.02 -1.26 -4.53 135.00 138.99 2br2 s PRO 156 Ca 0.38 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.81 2br2 s PRO 156 Cb -0.16 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 2br2 s PRO 156 CO 0.09 -0.56 -0.01 -1.64 -0.33 0.00 0.00 177.00 174.55 2br2 s MET 157 N 0.32 0.96 0.24 5.54 -1.94 -1.26 -1.89 119.30 121.27 2br2 s MET 157 Ca 0.65 -1.43 -0.04 0.00 -1.71 0.00 0.00 55.69 53.16 2br2 s MET 157 Cb -0.44 -0.14 0.27 0.00 2.01 0.00 0.00 34.83 36.53 2br2 s MET 157 CO 0.38 -0.11 1.75 0.00 -0.01 0.00 0.00 175.02 177.03 2br2 h ARG 158 N 2.84 0.89 -1.93 2.03 3.08 -0.52 -3.47 114.38 117.29 2br2 h ARG 158 Ca -0.36 -0.23 0.25 0.00 0.07 0.00 0.00 59.98 59.71 2br2 h ARG 158 Cb 1.19 -0.11 -0.09 0.00 0.08 0.00 0.00 29.97 31.03 2br2 h ARG 158 CO 0.63 0.86 0.67 0.34 -1.07 0.00 0.00 179.97 181.40 2br2 s ASP 159 N -6.60 -0.10 0.77 7.04 2.15 -1.26 -5.01 116.67 113.66 2br2 s ASP 159 Ca -0.10 -0.29 -0.11 0.00 0.43 0.00 0.00 52.55 52.47 2br2 s ASP 159 Cb 0.15 0.33 0.05 0.00 -0.30 0.00 0.00 42.92 43.14 2br2 s ASP 159 CO 0.82 -0.61 1.08 -0.76 -0.17 0.00 0.00 175.17 175.54 2br2 s LEU 160 N -3.03 2.77 -0.16 -1.34 1.43 -1.26 -4.94 118.68 112.14 2br2 s LEU 160 Ca 0.15 1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 54.65 2br2 s LEU 160 Cb 0.01 -4.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.10 2br2 s LEU 160 CO -0.00 -1.83 -0.09 -0.63 0.23 0.00 0.00 176.35 174.03 2br2 s ILE 161 N -3.10 3.28 0.02 -0.59 1.01 -1.26 -4.15 121.20 116.41 2br2 s ILE 161 Ca 0.60 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.77 2br2 s ILE 161 Cb -0.14 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 2br2 s ILE 161 CO 0.55 0.49 -0.25 0.00 0.00 0.00 0.00 174.94 175.72 2br2 s ALA 162 N 0.71 2.13 0.02 9.38 0.00 -0.46 -4.61 121.76 128.92 2br2 s ALA 162 Ca -0.04 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 2br2 s ALA 162 Cb -0.15 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.50 2br2 s ALA 162 CO 0.02 0.51 0.21 0.20 0.00 0.00 0.00 175.76 176.70 2br2 s GLY 163 N -0.99 -0.01 0.01 0.00 0.00 -1.26 -0.64 107.32 104.42 2br2 s GLY 163 Ca 0.10 -0.08 -0.09 0.00 0.00 0.00 0.00 44.72 44.66 2br2 s GLY 163 CO 0.01 -0.26 0.17 -1.34 0.00 0.00 0.00 173.10 171.68 2br2 s VAL 164 N -1.90 0.08 -0.14 1.40 -7.23 -0.35 -4.91 120.40 107.36 2br2 s VAL 164 Ca -0.10 -0.70 -0.20 0.00 -1.81 0.00 0.00 61.98 59.17 2br2 s VAL 164 Cb -0.04 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 2br2 s VAL 164 CO -0.00 -0.38 0.57 0.00 -0.31 0.00 0.00 175.10 174.97 2br2 s ALA 165 N -1.54 3.47 0.24 1.32 0.00 -1.26 -1.28 121.76 122.71 2br2 s ALA 165 Ca -0.13 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 51.73 2br2 s ALA 165 Cb -0.06 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 2br2 s ALA 165 CO 0.01 -0.22 0.09 0.54 0.00 0.00 0.00 175.76 176.18 2br2 s VAL 166 N 1.12 3.97 0.02 0.00 0.11 -0.66 0.38 120.40 125.34 2br2 s VAL 166 Ca 0.29 -1.59 -0.02 0.00 -2.93 0.00 0.00 61.98 57.73 2br2 s VAL 166 Cb -0.16 -3.12 0.01 0.00 -1.53 0.00 0.00 36.38 31.58 2br2 s VAL 166 CO 0.12 -0.32 0.08 0.61 -3.33 0.00 0.00 175.10 172.26 2br2 n GLY 167 N -0.90 1.34 2.94 6.54 0.00 -0.22 0.06 105.19 114.94 2br2 n GLY 167 Ca -0.07 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 2br2 n GLY 167 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2br2 s LYS 168 N -2.00 1.55 0.00 1.61 2.20 -1.11 -0.44 119.74 121.55 2br2 s LYS 168 Ca 0.02 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 2br2 s LYS 168 Cb -0.00 -1.49 0.00 0.00 -1.51 0.00 0.00 37.83 34.83 2br2 s LYS 168 CO 0.01 -0.16 0.00 0.00 -0.36 0.00 0.00 175.35 174.83 2br2 n ALA 169 N 4.54 0.12 -2.93 3.13 0.00 0.48 -0.79 120.51 125.06 2br2 n ALA 169 Ca -0.16 -0.04 -0.27 0.00 0.00 0.00 0.00 53.44 52.97 2br2 n ALA 169 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 2br2 n ALA 169 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2br2 n ASP 170 N -1.63 4.54 0.00 0.00 8.00 -1.26 -4.26 116.55 121.94 2br2 n ASP 170 Ca 0.00 -3.69 0.00 0.00 0.71 0.00 0.00 54.79 51.81 2br2 n ASP 170 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 2br2 n ASP 170 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2br2 n GLY 171 N -0.25 2.11 3.70 0.44 0.00 -1.26 -5.02 105.19 104.91 2br2 n GLY 171 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 2br2 n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br2 s VAL 172 N -3.30 5.24 -0.04 1.61 1.01 -1.26 -5.06 120.40 118.59 2br2 s VAL 172 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2br2 s VAL 172 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2br2 s VAL 172 CO 0.00 0.44 1.09 -0.63 0.00 0.00 0.00 175.10 176.01 2br2 s ILE 173 N 0.37 4.52 0.15 2.22 1.01 -1.26 -0.39 121.20 127.82 2br2 s ILE 173 Ca 0.07 1.81 0.06 0.00 0.00 0.00 0.00 60.65 62.58 2br2 s ILE 173 Cb -0.11 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 2br2 s ILE 173 CO -0.01 0.06 -0.13 0.27 0.00 0.00 0.00 174.94 175.13 2br2 s ILE 174 N 1.69 1.37 -0.13 2.92 -4.36 0.42 -4.81 121.20 118.30 2br2 s ILE 174 Ca 0.53 -1.97 -0.01 0.00 -0.26 0.00 0.00 60.65 58.94 2br2 s ILE 174 Cb -0.23 -1.78 -0.02 0.00 1.25 0.00 0.00 42.46 41.69 2br2 s ILE 174 CO 0.23 -0.59 -0.10 -0.22 0.24 0.00 0.00 174.94 174.51 2br2 s LEU 175 N -2.93 2.92 -0.24 0.37 2.96 0.23 -1.06 118.68 120.92 2br2 s LEU 175 Ca 0.15 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2br2 s LEU 175 Cb -0.01 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 45.01 2br2 s LEU 175 CO 0.03 0.18 0.03 -0.67 -1.32 0.00 0.00 176.35 174.60 2br2 n ASP 176 N 3.44 -6.63 -4.78 3.68 2.03 0.16 -4.67 116.55 109.79 2br2 n ASP 176 Ca -0.18 1.05 -0.38 0.00 0.52 0.00 0.00 54.79 55.80 2br2 n ASP 176 Cb 0.53 -4.34 -0.06 0.00 -0.72 0.00 0.00 41.12 36.53 2br2 n ASP 176 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2br2 s LEU 177 N -1.33 4.47 1.14 -2.67 1.43 -1.23 -4.78 118.68 115.71 2br2 s LEU 177 Ca 0.01 1.78 -0.14 0.00 -1.03 0.00 0.00 54.13 54.76 2br2 s LEU 177 Cb -0.00 -3.72 0.23 0.00 0.03 0.00 0.00 46.19 42.73 2br2 s LEU 177 CO 0.60 0.06 0.76 0.59 0.23 0.00 0.00 176.35 178.60 2br2 n ASN 178 N 1.03 -1.75 -0.24 2.29 5.03 -1.26 -4.60 115.26 115.76 2br2 n ASN 178 Ca -0.01 -0.09 -0.07 0.00 0.87 0.00 0.00 54.58 55.28 2br2 n ASN 178 Cb 0.49 -1.20 0.04 0.00 -1.02 0.00 0.00 39.78 38.09 2br2 n ASN 178 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 2br2 h GLU 179 N -2.45 1.04 -0.37 3.52 4.81 -1.90 -0.99 114.58 118.25 2br2 h GLU 179 Ca -0.58 -0.22 0.04 0.00 -0.13 0.00 0.00 59.36 58.47 2br2 h GLU 179 Cb 1.33 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 2br2 h GLU 179 CO 0.45 0.90 0.15 1.15 -0.73 0.00 0.00 179.01 180.93 2br2 h THR 180 N 0.98 0.92 -0.33 0.32 2.02 -1.93 0.51 112.91 115.40 2br2 h THR 180 Ca 0.22 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.16 2br2 h THR 180 Cb 0.28 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2br2 h THR 180 CO -0.01 0.06 -0.32 -0.33 0.37 0.00 0.00 175.52 175.29 2br2 h GLU 181 N 0.31 0.72 0.79 6.66 5.08 -1.91 -1.35 114.58 124.87 2br2 h GLU 181 Ca 0.16 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2br2 h GLU 181 Cb 0.12 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2br2 h GLU 181 CO -0.15 0.94 -0.41 0.22 -1.00 0.00 0.00 179.01 178.61 2br2 h ASP 182 N 0.61 -0.98 -0.32 1.42 1.82 -0.85 0.12 116.42 118.23 2br2 h ASP 182 Ca 0.07 0.04 0.07 0.00 -0.39 0.00 0.00 57.03 56.82 2br2 h ASP 182 Cb 0.84 0.27 -0.07 0.00 0.68 0.00 0.00 39.33 41.04 2br2 h ASP 182 CO 0.07 -0.67 -0.17 0.24 -1.61 0.00 0.00 179.24 177.11 2br2 h MET 183 N -1.09 -0.12 0.00 0.28 2.86 -0.86 -3.34 114.93 112.66 2br2 h MET 183 Ca -0.11 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2br2 h MET 183 Cb 0.85 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.54 2br2 h MET 183 CO 0.16 -0.08 -0.95 0.91 1.06 0.00 0.00 176.91 178.00 2br2 n TRP 184 N -5.34 0.00 -1.21 -0.22 7.02 -0.51 -5.00 117.44 112.18 2br2 n TRP 184 Ca 0.01 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.20 2br2 n TRP 184 Cb 0.25 -0.04 0.17 0.00 -2.42 0.00 0.00 31.31 29.27 2br2 n TRP 184 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2br2 s GLY 185 N -2.85 1.58 0.23 6.99 0.00 0.42 -4.98 107.32 108.71 2br2 s GLY 185 Ca 0.05 -0.32 0.16 0.00 0.00 0.00 0.00 44.72 44.61 2br2 s GLY 185 CO 0.75 0.26 1.29 0.83 0.00 0.00 0.00 173.10 176.23 2br2 h GLU 186 N -1.80 0.00 -3.01 2.90 3.07 -1.14 -3.48 114.58 111.12 2br2 h GLU 186 Ca -0.53 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.22 2br2 h GLU 186 Cb 1.32 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 29.04 2br2 h GLU 186 CO 0.57 0.42 -0.21 0.00 -1.40 0.00 0.00 179.01 178.40 2br2 s ALA 187 N -2.97 -0.86 -0.12 3.43 0.00 -1.21 -0.88 121.76 119.15 2br2 s ALA 187 Ca 0.02 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.27 2br2 s ALA 187 Cb 0.08 0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.41 2br2 s ALA 187 CO 0.76 -0.33 0.17 0.34 0.00 0.00 0.00 175.76 176.71 2br2 s ASP 188 N -1.57 0.97 -0.49 0.00 2.15 0.61 -2.74 116.67 115.60 2br2 s ASP 188 Ca -0.10 0.17 0.03 0.00 0.43 0.00 0.00 52.55 53.08 2br2 s ASP 188 Cb -0.03 0.28 0.15 0.00 -0.30 0.00 0.00 42.92 43.02 2br2 s ASP 188 CO 0.02 -0.27 0.32 -0.32 -0.17 0.00 0.00 175.17 174.75 2br2 s MET 189 N 2.29 1.41 0.19 4.34 -2.45 0.11 -0.89 119.30 124.31 2br2 s MET 189 Ca 0.04 -2.28 -0.31 0.00 -1.25 0.00 0.00 55.69 51.89 2br2 s MET 189 Cb -0.13 -2.30 -0.09 0.00 1.25 0.00 0.00 34.83 33.56 2br2 s MET 189 CO -0.07 -1.25 1.43 -1.25 1.05 0.00 0.00 175.02 174.93 2br2 s PRO 190 N -0.07 4.29 -0.03 4.11 0.04 -1.03 -1.66 135.00 140.65 2br2 s PRO 190 Ca 0.23 2.22 0.01 0.00 0.04 0.00 0.00 61.00 63.50 2br2 s PRO 190 Cb -0.13 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.26 2br2 s PRO 190 CO -0.08 -0.43 -0.02 0.42 0.04 0.00 0.00 177.00 176.92 2br2 s ILE 191 N 0.49 0.32 -0.01 0.56 1.01 -0.41 -1.78 121.20 121.38 2br2 s ILE 191 Ca 0.62 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 61.25 2br2 s ILE 191 Cb -0.40 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 2br2 s ILE 191 CO 0.37 0.15 -0.10 0.00 0.00 0.00 0.00 174.94 175.36 2br2 s ALA 192 N 0.67 0.89 0.17 9.38 0.00 -0.11 -1.21 121.76 131.55 2br2 s ALA 192 Ca -0.07 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.49 2br2 s ALA 192 Cb -0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 2br2 s ALA 192 CO -0.01 0.20 -0.06 -1.64 0.00 0.00 0.00 175.76 174.26 2br2 s MET 193 N -0.14 1.13 -0.84 0.00 1.00 0.19 -0.02 119.30 120.61 2br2 s MET 193 Ca 0.02 -1.52 -0.19 0.00 0.00 0.00 0.00 55.69 54.01 2br2 s MET 193 Cb -0.05 -0.54 0.13 0.00 0.00 0.00 0.00 34.83 34.37 2br2 s MET 193 CO -0.00 -0.01 1.02 -1.64 0.00 0.00 0.00 175.02 174.38 2br2 s MET 194 N -3.81 3.47 0.27 2.03 -1.94 0.56 -1.36 119.30 118.52 2br2 s MET 194 Ca 0.21 -1.65 -0.03 0.00 -1.71 0.00 0.00 55.69 52.50 2br2 s MET 194 Cb 0.04 -4.69 0.37 0.00 2.01 0.00 0.00 34.83 32.56 2br2 s MET 194 CO 0.03 -1.70 1.90 -1.35 -0.01 0.00 0.00 175.02 173.89 2br2 h PRO 195 N 8.87 1.19 0.00 2.03 0.11 -1.83 -1.27 132.00 141.10 2br2 h PRO 195 Ca 0.04 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2br2 h PRO 195 Cb 1.04 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 2br2 h PRO 195 CO 1.08 0.79 -0.07 0.77 -0.21 0.00 0.00 178.00 180.36 2br2 h SER 196 N 1.23 0.00 -0.01 -2.05 0.02 -1.93 -2.66 113.55 108.15 2br2 h SER 196 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2br2 h SER 196 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2br2 h SER 196 CO -0.14 0.07 -0.60 0.18 -1.14 0.00 0.00 176.83 175.21 2br2 n LEU 197 N -3.96 1.71 -3.91 5.07 4.77 -0.53 -4.98 117.00 115.17 2br2 n LEU 197 Ca -0.03 -0.69 -0.30 0.00 -0.03 0.00 0.00 56.01 54.96 2br2 n LEU 197 Cb 0.16 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2br2 n LEU 197 CO 0.31 0.34 0.10 0.59 -1.33 0.00 0.00 177.39 177.39 2br2 n ASN 198 N -0.42 -4.79 -4.40 -1.43 5.03 -0.88 -4.97 115.26 103.40 2br2 n ASN 198 Ca 0.08 -0.77 -0.34 0.00 0.87 0.00 0.00 54.58 54.41 2br2 n ASN 198 Cb 0.42 -3.82 -0.13 0.00 -1.02 0.00 0.00 39.78 35.22 2br2 n ASN 198 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2br2 s GLN 199 N -6.62 3.50 -0.21 3.52 -1.52 -1.14 -5.00 119.66 112.20 2br2 s GLN 199 Ca 0.67 -0.59 -0.25 0.00 -1.95 0.00 0.00 55.36 53.24 2br2 s GLN 199 Cb -0.33 -2.91 -0.01 0.00 -0.22 0.00 0.00 33.01 29.53 2br2 s GLN 199 CO 0.82 0.05 0.82 0.08 -0.25 0.00 0.00 175.29 176.81 2br2 s VAL 200 N 0.83 4.87 -0.15 1.09 1.01 -1.26 -0.32 120.40 126.46 2br2 s VAL 200 Ca -0.01 1.57 -0.10 0.00 0.00 0.00 0.00 61.98 63.44 2br2 s VAL 200 Cb -0.15 -4.11 -0.24 0.00 0.00 0.00 0.00 36.38 31.88 2br2 s VAL 200 CO 0.01 -0.02 0.28 0.41 0.00 0.00 0.00 175.10 175.78 2br2 n THR 201 N 4.99 1.70 -4.16 3.92 -1.04 0.97 -4.93 114.28 115.72 2br2 n THR 201 Ca 0.05 -0.49 -0.18 0.00 -2.04 0.00 0.00 64.05 61.38 2br2 n THR 201 Cb 0.48 -1.80 -0.16 0.00 -1.82 0.00 0.00 70.33 67.04 2br2 n THR 201 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2br2 s LEU 202 N -7.23 1.59 -0.19 -4.42 0.20 -0.93 -4.23 118.68 103.46 2br2 s LEU 202 Ca -0.25 -0.11 -0.04 0.00 0.69 0.00 0.00 54.13 54.42 2br2 s LEU 202 Cb 0.07 -0.37 0.10 0.00 -0.43 0.00 0.00 46.19 45.55 2br2 s LEU 202 CO 0.71 -0.01 0.28 0.12 -0.29 0.00 0.00 176.35 177.17 2br2 s PHE 203 N 0.50 -0.49 0.01 5.38 5.36 -1.26 -0.94 117.98 126.54 2br2 s PHE 203 Ca -0.06 0.65 0.01 0.00 -0.96 0.00 0.00 56.93 56.57 2br2 s PHE 203 Cb -0.10 -0.14 -0.01 0.00 -0.34 0.00 0.00 43.02 42.44 2br2 s PHE 203 CO -0.00 -0.56 -0.02 -0.65 -1.46 0.00 0.00 175.22 172.52 2br2 s GLN 204 N 2.43 0.21 -0.07 10.12 -0.21 -0.73 -5.05 119.66 126.35 2br2 s GLN 204 Ca 0.07 -0.27 0.01 0.00 0.02 0.00 0.00 55.36 55.19 2br2 s GLN 204 Cb -0.14 -0.08 0.02 0.00 1.00 0.00 0.00 33.01 33.81 2br2 s GLN 204 CO -0.12 0.01 -0.08 -1.17 -2.12 0.00 0.00 175.29 171.81 2br2 s LEU 205 N -0.55 1.39 0.07 2.90 2.96 -1.26 -2.47 118.68 121.72 2br2 s LEU 205 Ca -0.05 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 53.70 2br2 s LEU 205 Cb -0.04 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 2br2 s LEU 205 CO -0.00 -0.04 -0.17 0.54 -1.32 0.00 0.00 176.35 175.36 2br2 s ASN 206 N 1.06 3.90 0.00 3.68 2.20 -0.07 -4.99 114.94 120.72 2br2 s ASN 206 Ca -0.08 -0.47 0.00 0.00 -0.94 0.00 0.00 52.86 51.37 2br2 s ASN 206 Cb -0.14 -0.61 0.00 0.00 -2.00 0.00 0.00 41.25 38.49 2br2 s ASN 206 CO -0.01 0.22 0.00 0.61 -2.94 0.00 0.00 177.10 174.98 2br2 n GLY 207 N 1.20 0.69 3.43 0.45 0.00 -1.26 -0.28 105.19 109.42 2br2 n GLY 207 Ca -0.16 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 2br2 n GLY 207 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2br2 s SER 208 N -4.00 -0.65 -0.01 1.61 0.15 -0.06 -4.95 113.70 105.80 2br2 s SER 208 Ca 0.00 1.13 -0.18 0.00 0.70 0.00 0.00 55.95 57.61 2br2 s SER 208 Cb 0.00 1.06 0.03 0.00 -1.71 0.00 0.00 66.02 65.41 2br2 s SER 208 CO 0.00 -0.20 0.38 -0.04 1.20 0.00 0.00 173.24 174.58 2br2 s MET 209 N 1.03 0.77 0.52 5.44 -1.94 -1.26 -4.38 119.30 119.47 2br2 s MET 209 Ca -0.06 -0.16 -0.18 0.00 -1.71 0.00 0.00 55.69 53.59 2br2 s MET 209 Cb -0.06 0.34 -0.07 0.00 2.01 0.00 0.00 34.83 37.05 2br2 s MET 209 CO -0.09 -0.23 1.00 0.95 -0.01 0.00 0.00 175.02 176.64 2br2 s THR 210 N -1.50 4.23 0.30 2.05 -4.23 -1.26 -4.85 115.64 110.39 2br2 s THR 210 Ca -0.12 1.16 0.06 0.00 -1.18 0.00 0.00 61.69 61.62 2br2 s THR 210 Cb -0.04 -3.58 0.30 0.00 1.34 0.00 0.00 72.50 70.52 2br2 s THR 210 CO 0.04 -0.52 1.74 -0.65 -0.54 0.00 0.00 174.62 174.69 2br2 h PRO 211 N 1.06 0.59 -0.09 3.99 0.11 -2.01 0.19 132.00 135.84 2br2 h PRO 211 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2br2 h PRO 211 Cb 1.20 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2br2 h PRO 211 CO 0.60 0.39 0.05 -0.44 -0.21 0.00 0.00 178.00 178.40 2br2 h ASP 212 N 0.61 0.11 -0.74 -2.05 3.32 -1.99 -0.44 116.42 115.23 2br2 h ASP 212 Ca 0.59 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.62 2br2 h ASP 212 Cb 1.05 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 2br2 h ASP 212 CO -0.45 0.13 0.48 -0.33 -1.72 0.00 0.00 179.24 177.35 2br2 h GLU 213 N 0.08 0.93 -0.49 3.56 5.08 -1.68 -0.72 114.58 121.34 2br2 h GLU 213 Ca 0.03 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2br2 h GLU 213 Cb 0.04 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 2br2 h GLU 213 CO -0.01 0.62 0.19 0.35 -1.00 0.00 0.00 179.01 179.16 2br2 h PHE 214 N 0.96 0.34 -0.35 4.33 3.57 -0.40 0.54 116.94 125.93 2br2 h PHE 214 Ca 0.29 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.71 2br2 h PHE 214 Cb -0.04 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2br2 h PHE 214 CO -0.03 0.13 -0.20 0.00 -2.23 0.00 0.00 178.31 175.97 2br2 h ARG 215 N 0.38 0.66 -0.11 1.11 3.08 -0.46 -1.15 114.38 117.89 2br2 h ARG 215 Ca 0.23 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2br2 h ARG 215 Cb 0.22 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2br2 h ARG 215 CO -0.22 0.82 -0.00 1.96 -1.07 0.00 0.00 179.97 181.45 2br2 h GLN 216 N 0.59 0.19 -0.73 0.04 4.20 -0.71 -2.36 115.11 116.33 2br2 h GLN 216 Ca 0.09 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2br2 h GLN 216 Cb 0.67 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 2br2 h GLN 216 CO 0.05 0.45 0.40 0.00 -0.67 0.00 0.00 178.83 179.06 2br2 h ALA 217 N 0.73 0.94 -0.22 3.87 0.00 -0.77 -1.88 119.26 121.94 2br2 h ALA 217 Ca 0.03 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2br2 h ALA 217 Cb 0.37 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2br2 h ALA 217 CO 0.01 0.46 -0.03 0.35 0.00 0.00 0.00 179.25 180.03 2br2 h PHE 218 N 1.01 -0.08 -0.85 0.00 3.57 -1.18 -0.13 116.94 119.28 2br2 h PHE 218 Ca 0.26 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.83 2br2 h PHE 218 Cb 0.04 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 2br2 h PHE 218 CO -0.00 -0.07 0.53 -0.44 -2.23 0.00 0.00 178.31 176.10 2br2 h ASP 219 N 0.02 0.84 -0.37 0.41 3.32 -0.98 -2.31 116.42 117.35 2br2 h ASP 219 Ca 0.10 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2br2 h ASP 219 Cb 0.15 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2br2 h ASP 219 CO -0.20 0.55 0.14 0.25 -1.72 0.00 0.00 179.24 178.25 2br2 h LEU 220 N 0.98 0.53 -0.89 1.55 5.85 -0.74 -2.92 115.31 119.66 2br2 h LEU 220 Ca 0.37 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 59.00 2br2 h LEU 220 Cb 0.14 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 2br2 h LEU 220 CO -0.16 0.57 0.54 0.00 -0.34 0.00 0.00 178.44 179.05 2br2 h ALA 221 N 0.98 1.29 -0.48 1.25 0.00 -0.63 -1.86 119.26 119.81 2br2 h ALA 221 Ca 0.12 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2br2 h ALA 221 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2br2 h ALA 221 CO -0.01 0.18 0.30 0.28 0.00 0.00 0.00 179.25 180.00 2br2 h VAL 222 N 0.90 1.08 -0.82 0.00 2.07 -1.25 0.23 116.25 118.47 2br2 h VAL 222 Ca 0.43 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 2br2 h VAL 222 Cb 0.37 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2br2 h VAL 222 CO -0.24 0.11 0.37 0.11 0.02 0.00 0.00 177.57 177.94 2br2 h LYS 223 N 0.60 1.20 0.01 1.57 1.57 -1.25 -0.45 116.57 119.83 2br2 h LYS 223 Ca 0.18 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2br2 h LYS 223 Cb -0.03 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.07 2br2 h LYS 223 CO -0.06 0.94 -0.01 0.78 -0.57 0.00 0.00 179.45 180.53 2br2 h GLY 224 N 1.19 -0.02 0.67 3.86 0.00 -0.81 -2.98 103.07 104.98 2br2 h GLY 224 Ca 0.28 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.69 2br2 h GLY 224 CO -0.03 -0.01 0.59 -2.22 0.00 0.00 0.00 176.54 174.88 2br2 h ILE 225 N -0.19 1.03 -0.32 2.60 2.04 -0.08 -1.76 117.51 120.83 2br2 h ILE 225 Ca -0.00 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 2br2 h ILE 225 Cb 0.18 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 2br2 h ILE 225 CO 0.00 0.19 -0.06 0.78 0.00 0.00 0.00 178.15 179.06 2br2 h ASN 226 N 1.05 0.50 -0.12 1.72 2.35 -0.98 0.84 115.58 120.95 2br2 h ASN 226 Ca 0.42 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 56.02 2br2 h ASN 226 Cb 0.23 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 2br2 h ASN 226 CO -0.19 0.62 -0.07 0.40 -1.65 0.00 0.00 177.43 176.53 2br2 h ILE 227 N 0.50 1.33 -0.84 2.81 2.04 -1.20 -2.70 117.51 119.44 2br2 h ILE 227 Ca 0.10 -1.14 0.06 0.00 1.00 0.00 0.00 64.86 64.88 2br2 h ILE 227 Cb 0.42 1.83 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 2br2 h ILE 227 CO 0.02 0.33 0.52 0.40 0.00 0.00 0.00 178.15 179.42 2br2 h ILE 228 N -0.11 1.05 -0.48 -0.67 2.04 -1.00 -2.66 117.51 115.69 2br2 h ILE 228 Ca 0.02 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.58 2br2 h ILE 228 Cb 0.55 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 2br2 h ILE 228 CO 0.02 0.18 0.27 0.22 0.00 0.00 0.00 178.15 178.83 2br2 h TYR 229 N 0.96 0.50 -0.18 1.37 3.20 -0.79 -0.36 116.97 121.67 2br2 h TYR 229 Ca 0.36 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.25 2br2 h TYR 229 Cb 0.14 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2br2 h TYR 229 CO -0.03 0.27 0.11 -0.91 -1.64 0.00 0.00 178.16 175.95 2br2 h ASN 230 N 0.53 0.21 0.20 -2.11 2.35 -1.14 -0.77 115.58 114.86 2br2 h ASN 230 Ca 0.20 -0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.73 2br2 h ASN 230 Cb 0.06 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2br2 h ASN 230 CO -0.11 0.17 -0.83 -0.07 -1.65 0.00 0.00 177.43 174.93 2br2 h LEU 231 N 0.25 0.60 -0.30 1.61 3.38 -1.08 -2.39 115.31 117.37 2br2 h LEU 231 Ca 0.07 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2br2 h LEU 231 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2br2 h LEU 231 CO -0.01 1.20 0.15 -0.33 0.09 0.00 0.00 178.44 179.54 2br2 h GLU 232 N 0.31 0.43 -0.94 1.13 5.08 -0.39 0.10 114.58 120.30 2br2 h GLU 232 Ca -0.06 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.33 2br2 h GLU 232 Cb 1.44 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.53 2br2 h GLU 232 CO 0.15 0.40 0.59 0.00 -1.00 0.00 0.00 179.01 179.15 2br2 h ARG 233 N 0.35 0.97 -0.14 2.33 3.08 -1.14 -1.43 114.38 118.40 2br2 h ARG 233 Ca 0.10 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.89 2br2 h ARG 233 Cb 0.11 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2br2 h ARG 233 CO -0.01 0.64 -0.73 1.49 -1.07 0.00 0.00 179.97 180.29 2br2 h GLU 234 N 1.00 0.64 0.00 0.04 4.57 -1.07 -2.93 114.58 116.83 2br2 h GLU 234 Ca 0.44 -0.51 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2br2 h GLU 234 Cb 0.32 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2br2 h GLU 234 CO -0.22 1.13 -0.14 0.00 -1.18 0.00 0.00 179.01 178.60 2br2 h ALA 235 N 0.73 1.62 -0.54 2.92 0.00 -0.44 -0.62 119.26 122.93 2br2 h ALA 235 Ca -0.04 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2br2 h ALA 235 Cb 1.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2br2 h ALA 235 CO 0.14 0.17 -0.13 1.25 0.00 0.00 0.00 179.25 180.69 2br2 h LEU 236 N 0.00 1.05 0.03 0.00 5.85 -1.09 0.33 115.31 121.47 2br2 h LEU 236 Ca -0.00 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 2br2 h LEU 236 Cb 0.27 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2br2 h LEU 236 CO 0.02 1.16 -0.01 0.11 -0.34 0.00 0.00 178.44 179.38 2br2 h LYS 237 N 0.92 -0.03 0.00 1.25 1.57 -1.35 -3.39 116.57 115.54 2br2 h LYS 237 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2br2 h LYS 237 Cb 0.70 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2br2 h LYS 237 CO 0.05 0.67 -0.68 -1.13 -0.57 0.00 0.00 179.45 177.79 2br2 n SER 238 N -4.72 0.65 0.00 0.86 3.41 -0.30 -4.96 113.62 108.56 2br2 n SER 238 Ca -0.08 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 2br2 n SER 238 Cb 0.35 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 2br2 n SER 238 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2br2 n LYS 239 N -1.55 0.00 -3.71 4.33 4.01 0.11 -4.92 118.16 116.43 2br2 n LYS 239 Ca 0.05 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.73 2br2 n LYS 239 Cb 0.34 -2.29 -0.12 0.00 -0.51 0.00 0.00 35.03 32.45 2br2 n LYS 239 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2br2 s TYR 240 N -2.15 -0.44 -0.05 2.13 5.04 -1.26 -1.32 117.35 119.30 2br2 s TYR 240 Ca 0.00 0.98 -0.02 0.00 -2.44 0.00 0.00 57.07 55.59 2br2 s TYR 240 Cb 0.00 0.12 0.04 0.00 0.35 0.00 0.00 41.96 42.46 2br2 s TYR 240 CO 0.00 -0.29 0.11 0.08 -1.34 0.00 0.00 175.55 174.12 2br2 s VAL 241 N 1.46 -0.06 0.00 3.14 1.01 0.17 -4.83 120.40 121.30 2br2 s VAL 241 Ca -0.08 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2br2 s VAL 241 Cb -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 2br2 s VAL 241 CO -0.10 0.08 -0.26 -1.61 0.00 0.00 0.00 175.10 173.21 2br2 s GLU 242 N 1.18 2.00 -0.14 2.72 2.02 -1.26 -0.76 118.70 124.46 2br2 s GLU 242 Ca -0.09 -0.99 -0.04 0.00 0.02 0.00 0.00 54.97 53.87 2br2 s GLU 242 Cb -0.12 -2.02 0.07 0.00 0.10 0.00 0.00 34.13 32.16 2br2 s GLU 242 CO -0.05 0.54 0.22 0.12 0.02 0.00 0.00 175.26 176.11 2br2 s PHE 243 N -0.68 -0.29 0.44 1.61 5.36 0.29 -5.00 117.98 119.71 2br2 s PHE 243 Ca 0.11 0.61 -0.22 0.00 -0.96 0.00 0.00 56.93 56.47 2br2 s PHE 243 Cb -0.10 -0.22 -0.09 0.00 -0.34 0.00 0.00 43.02 42.27 2br2 s PHE 243 CO 0.00 -0.41 1.02 -1.59 -1.46 0.00 0.00 175.22 172.78 2br2 s LYS 244 N 2.35 4.03 0.16 10.12 -2.85 -1.26 -0.84 119.74 131.44 2br2 s LYS 244 Ca 0.04 1.34 -0.31 0.00 -1.00 0.00 0.00 55.97 56.03 2br2 s LYS 244 Cb -0.13 -2.26 -0.17 0.00 -2.06 0.00 0.00 37.83 33.21 2br2 s LYS 244 CO -0.09 -0.23 0.81 0.39 0.10 0.00 0.00 175.35 176.33 2br2 n GLU 245 N -0.60 0.37 -3.62 1.78 1.02 -1.26 -4.82 120.64 113.51 2br2 n GLU 245 Ca 0.07 0.13 -0.06 0.00 -0.02 0.00 0.00 57.16 57.29 2br2 n GLU 245 Cb 0.52 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.55 2br2 n GLU 245 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2br2 s GLU 246 N -0.74 0.94 0.35 3.49 -1.05 -1.23 -5.00 118.70 115.46 2br2 s GLU 246 Ca 0.71 -0.44 -0.28 0.00 -0.15 0.00 0.00 54.97 54.80 2br2 s GLU 246 Cb -0.96 0.37 -0.11 0.00 -0.44 0.00 0.00 34.13 32.99 2br2 s GLU 246 CO 0.56 -0.42 1.38 0.20 0.95 0.00 0.00 175.26 177.92 2br2 s GLY 247 N -2.70 2.98 0.00 -3.83 0.00 -1.26 -2.73 107.32 99.78 2br2 s GLY 247 Ca 0.09 1.38 0.21 0.00 0.00 0.00 0.00 44.72 46.40 2br2 s GLY 247 CO -0.04 2.05 1.62 -0.62 0.00 0.00 0.00 173.10 176.11