#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 4.19 0.51 5.31 0.52 -1.26 -5.00 118.95 123.22 2br2 s ARG 9 Ca 0.00 2.22 -0.20 0.00 -0.52 0.00 0.00 55.73 57.23 2br2 s ARG 9 Cb 0.00 -3.88 -0.07 0.00 0.52 0.00 0.00 34.95 31.52 2br2 s ARG 9 CO 0.00 -0.80 1.08 -2.14 0.02 0.00 0.00 175.30 173.46 2br2 s PRO 10 N 3.62 3.58 -0.06 3.54 0.02 -1.26 -5.01 135.00 139.43 2br2 s PRO 10 Ca 0.73 1.49 -0.30 0.00 0.02 0.00 0.00 61.00 62.94 2br2 s PRO 10 Cb -0.35 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 2br2 s PRO 10 CO 0.30 -0.64 1.15 0.21 -0.33 0.00 0.00 177.00 177.70 2br2 s LYS 11 N -3.26 4.38 -0.10 5.54 2.20 -1.26 -4.94 119.74 122.29 2br2 s LYS 11 Ca 0.70 1.61 0.05 0.00 -0.36 0.00 0.00 55.97 57.97 2br2 s LYS 11 Cb -0.20 -3.54 -0.24 0.00 -1.51 0.00 0.00 37.83 32.34 2br2 s LYS 11 CO 0.23 -0.39 0.43 1.28 -0.36 0.00 0.00 175.35 176.54 2br2 n LEU 12 N 5.03 1.59 -4.36 5.43 4.77 -1.26 -4.76 117.00 123.44 2br2 n LEU 12 Ca 0.10 0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 56.00 2br2 n LEU 12 Cb 0.47 -0.35 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 2br2 n LEU 12 CO 0.54 0.61 -0.41 -0.63 -1.33 0.00 0.00 177.39 176.18 2br2 s ILE 13 N -2.57 3.31 0.66 -0.08 1.09 -1.26 -3.53 121.20 118.82 2br2 s ILE 13 Ca -0.14 -0.54 -0.00 0.00 -1.10 0.00 0.00 60.65 58.87 2br2 s ILE 13 Cb 0.07 -2.45 0.09 0.00 -1.06 0.00 0.00 42.46 39.11 2br2 s ILE 13 CO 0.79 0.48 0.92 -0.76 -0.10 0.00 0.00 174.94 176.27 2br2 s LEU 14 N 0.84 3.06 0.00 2.97 1.43 -0.45 -4.95 118.68 121.58 2br2 s LEU 14 Ca -0.02 -0.24 0.19 0.00 -1.03 0.00 0.00 54.13 53.03 2br2 s LEU 14 Cb -0.15 -2.29 1.16 0.00 0.03 0.00 0.00 46.19 44.93 2br2 s LEU 14 CO 0.01 -1.61 1.57 -0.90 0.23 0.00 0.00 176.35 175.65 2br2 n ASP 15 N -2.67 0.00 -0.84 2.29 5.75 -1.26 -1.59 116.55 118.24 2br2 n ASP 15 Ca 0.13 -0.78 0.09 0.00 -0.01 0.00 0.00 54.79 54.22 2br2 n ASP 15 Cb 0.60 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.84 2br2 n ASP 15 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2br2 n ASP 16 N -0.94 2.89 0.00 -1.12 5.75 -1.26 -4.98 116.55 116.89 2br2 n ASP 16 Ca 0.15 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 2br2 n ASP 16 Cb 0.07 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 2br2 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2br2 n GLY 17 N 1.04 3.24 3.96 6.12 0.00 -0.62 -5.03 105.19 113.91 2br2 n GLY 17 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.54 2.66 0.70 1.61 1.02 -1.26 -4.60 119.74 119.32 2br2 s LYS 18 Ca 0.00 -0.62 -0.02 0.00 0.02 0.00 0.00 55.97 55.35 2br2 s LYS 18 Cb 0.00 -2.46 0.11 0.00 -0.52 0.00 0.00 37.83 34.95 2br2 s LYS 18 CO 0.00 -0.65 0.97 1.03 -0.92 0.00 0.00 175.35 175.78 2br2 s ARG 19 N -4.77 1.82 0.50 1.68 0.52 0.42 -1.34 118.95 117.78 2br2 s ARG 19 Ca 0.55 -0.93 0.20 0.00 -0.52 0.00 0.00 55.73 55.03 2br2 s ARG 19 Cb -0.10 -2.32 1.27 0.00 0.52 0.00 0.00 34.95 34.32 2br2 s ARG 19 CO 0.39 -1.35 2.07 1.79 0.02 0.00 0.00 175.30 178.22 2br2 h THR 20 N -0.49 0.89 -0.20 0.02 1.35 -1.86 -0.45 112.91 112.17 2br2 h THR 20 Ca -0.39 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2br2 h THR 20 Cb 1.28 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2br2 h THR 20 CO 0.44 0.12 0.00 -0.90 -0.25 0.00 0.00 175.52 174.93 2br2 n ASP 21 N -4.11 2.40 0.00 5.36 3.85 -1.26 -4.94 116.55 117.86 2br2 n ASP 21 Ca -0.02 -1.82 0.00 0.00 -0.71 0.00 0.00 54.79 52.24 2br2 n ASP 21 Cb 0.20 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 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 1.29 0.70 3.80 6.12 0.00 -0.18 -5.06 105.19 111.86 2br2 n GLY 22 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.73 3.70 0.59 1.61 0.52 -1.26 -4.61 118.95 118.78 2br2 s ARG 23 Ca 0.00 1.27 -0.13 0.00 -0.52 0.00 0.00 55.73 56.35 2br2 s ARG 23 Cb 0.00 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 2br2 s ARG 23 CO 0.00 -0.50 1.02 0.15 0.02 0.00 0.00 175.30 175.99 2br2 s LYS 24 N -3.53 3.63 0.56 3.54 1.02 -1.26 -0.44 119.74 123.27 2br2 s LYS 24 Ca 0.65 0.86 0.29 0.00 0.02 0.00 0.00 55.97 57.80 2br2 s LYS 24 Cb -0.15 -2.09 1.46 0.00 -0.52 0.00 0.00 37.83 36.53 2br2 s LYS 24 CO 0.25 -0.54 1.90 -1.35 -0.92 0.00 0.00 175.35 174.69 2br2 h PRO 25 N 0.07 0.00 -0.66 -1.68 0.11 -1.89 -1.97 132.00 125.98 2br2 h PRO 25 Ca -0.45 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.43 2br2 h PRO 25 Cb 1.19 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 2br2 h PRO 25 CO 0.61 0.00 0.24 -0.40 -0.21 0.00 0.00 178.00 178.24 2br2 n ASP 26 N -4.02 4.21 -4.41 -2.05 5.75 -1.26 -0.67 116.55 114.10 2br2 n ASP 26 Ca 0.13 -3.34 -0.33 0.00 -0.01 0.00 0.00 54.79 51.24 2br2 n ASP 26 Cb 0.79 -0.72 -0.14 0.00 -1.03 0.00 0.00 41.12 40.03 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 -3.06 3.41 0.47 0.11 2.02 -0.74 -0.87 118.70 120.04 2br2 s GLU 27 Ca 0.52 -0.64 -0.20 0.00 0.02 0.00 0.00 54.97 54.67 2br2 s GLU 27 Cb 0.43 -2.69 -0.09 0.00 0.10 0.00 0.00 34.13 31.88 2br2 s GLU 27 CO 0.10 0.25 1.02 -0.51 0.02 0.00 0.00 175.26 176.14 2br2 s LEU 28 N 0.29 3.87 1.06 1.80 1.43 -1.12 -4.76 118.68 121.26 2br2 s LEU 28 Ca -0.08 1.88 -0.13 0.00 -1.03 0.00 0.00 54.13 54.77 2br2 s LEU 28 Cb -0.15 -4.55 0.22 0.00 0.03 0.00 0.00 46.19 41.74 2br2 s LEU 28 CO 0.05 -0.68 1.08 -0.13 0.23 0.00 0.00 176.35 176.89 2br2 s ARG 29 N -3.21 -0.09 0.59 1.70 0.52 -1.26 -3.52 118.95 113.69 2br2 s ARG 29 Ca 0.66 0.51 -0.19 0.00 -0.52 0.00 0.00 55.73 56.19 2br2 s ARG 29 Cb -0.15 -1.68 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 2br2 s ARG 29 CO 0.18 -3.08 1.21 -1.54 0.02 0.00 0.00 175.30 172.09 2br2 s SER 30 N -3.29 5.20 -0.03 0.23 1.04 -1.26 -4.54 113.70 111.04 2br2 s SER 30 Ca 0.66 2.39 0.07 0.00 0.48 0.00 0.00 55.95 59.55 2br2 s SER 30 Cb -0.19 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.31 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 -1.60 1.83 -0.03 -1.02 1.01 -0.03 -0.37 121.20 120.99 2br2 s ILE 31 Ca 0.77 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 60.45 2br2 s ILE 31 Cb -0.30 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.66 2br2 s ILE 31 CO 0.33 0.52 -0.02 -0.75 0.00 0.00 0.00 174.94 175.02 2br2 s LYS 32 N -0.43 0.48 -0.04 2.79 2.20 -0.63 -0.60 119.74 123.50 2br2 s LYS 32 Ca 0.06 -0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 2br2 s LYS 32 Cb -0.10 -0.57 0.02 0.00 -1.51 0.00 0.00 37.83 35.67 2br2 s LYS 32 CO 0.00 -0.08 -0.05 0.42 -0.36 0.00 0.00 175.35 175.27 2br2 s ILE 33 N 0.82 0.59 0.02 5.43 1.01 0.15 -0.32 121.20 128.89 2br2 s ILE 33 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2br2 s ILE 33 Cb -0.12 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 2br2 s ILE 33 CO -0.01 0.23 -0.02 -1.83 0.00 0.00 0.00 174.94 173.30 2br2 s GLU 34 N 0.75 0.25 0.22 2.79 -1.05 -0.47 -0.47 118.70 120.73 2br2 s GLU 34 Ca -0.10 -0.50 0.10 0.00 -0.15 0.00 0.00 54.97 54.32 2br2 s GLU 34 Cb -0.13 0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.60 2br2 s GLU 34 CO 0.01 -0.04 -0.10 -0.51 0.95 0.00 0.00 175.26 175.57 2br2 s LEU 35 N -1.18 2.93 -1.11 1.83 1.02 -0.49 -0.47 118.68 121.21 2br2 s LEU 35 Ca -0.13 -0.70 -0.05 0.00 0.02 0.00 0.00 54.13 53.27 2br2 s LEU 35 Cb -0.08 -1.54 0.01 0.00 0.02 0.00 0.00 46.19 44.59 2br2 s LEU 35 CO -0.01 0.06 0.66 0.61 0.02 0.00 0.00 176.35 177.69 2br2 n GLY 36 N -0.34 -0.21 0.13 -3.19 0.00 0.37 -4.90 105.19 97.05 2br2 n GLY 36 Ca -0.09 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.51 0.00 -3.35 1.61 3.04 -1.85 -3.44 116.25 110.75 2br2 h VAL 37 Ca -0.42 -0.76 -0.65 0.00 -1.01 0.00 0.00 66.70 63.86 2br2 h VAL 37 Cb 1.28 1.50 -0.27 0.00 -2.01 0.00 0.00 31.29 31.79 2br2 h VAL 37 CO 0.43 0.00 -0.73 -0.76 -1.01 0.00 0.00 177.57 175.50 2br2 s LEU 38 N -5.11 2.87 0.06 3.16 1.43 -1.26 -5.03 118.68 114.80 2br2 s LEU 38 Ca 0.05 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 2br2 s LEU 38 Cb 0.10 -1.69 -0.13 0.00 0.03 0.00 0.00 46.19 44.50 2br2 s LEU 38 CO 0.71 0.07 1.35 0.11 0.23 0.00 0.00 176.35 178.82 2br2 h LYS 39 N 7.41 0.53 -0.54 1.70 6.56 -2.01 -3.30 116.57 126.92 2br2 h LYS 39 Ca -0.35 -0.31 0.00 0.00 -1.06 0.00 0.00 60.65 58.93 2br2 h LYS 39 Cb 1.18 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2br2 h LYS 39 CO 0.59 0.91 0.00 0.09 -2.06 0.00 0.00 179.45 178.98 2br2 n ASN 40 N -4.37 2.46 -4.64 0.86 3.02 -1.26 -4.84 115.26 106.49 2br2 n ASN 40 Ca -0.06 -2.18 -0.24 0.00 -0.03 0.00 0.00 54.58 52.08 2br2 n ASN 40 Cb 0.46 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.66 3.15 0.06 5.41 0.00 -1.24 -5.03 121.76 122.45 2br2 s ALA 41 Ca 0.25 -1.61 0.13 0.00 0.00 0.00 0.00 51.96 50.73 2br2 s ALA 41 Cb 0.15 -0.79 0.20 0.00 0.00 0.00 0.00 23.12 22.68 2br2 s ALA 41 CO 0.13 0.30 1.50 -0.44 0.00 0.00 0.00 175.76 177.25 2br2 h ASP 42 N 2.04 0.00 -4.95 0.00 3.32 -1.25 -3.46 116.42 112.12 2br2 h ASP 42 Ca -0.45 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 2br2 h ASP 42 Cb 1.24 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.60 2br2 h ASP 42 CO 0.60 0.62 0.12 -0.83 -1.72 0.00 0.00 179.24 178.02 2br2 s GLY 43 N -4.50 -0.51 -0.06 2.75 0.00 -1.02 -3.87 107.32 100.10 2br2 s GLY 43 Ca 0.01 1.20 -0.25 0.00 0.00 0.00 0.00 44.72 45.68 2br2 s GLY 43 CO 0.75 0.87 0.57 -1.35 0.00 0.00 0.00 173.10 173.93 2br2 s SER 44 N -1.14 -0.52 -0.04 1.64 1.04 -1.25 0.01 113.70 113.43 2br2 s SER 44 Ca -0.11 0.61 -0.13 0.00 0.48 0.00 0.00 55.95 56.80 2br2 s SER 44 Cb -0.01 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.70 2br2 s SER 44 CO 0.09 -0.51 0.29 0.00 0.98 0.00 0.00 173.24 174.09 2br2 s ALA 45 N -1.03 -0.74 -0.15 5.32 0.00 -0.72 -0.48 121.76 123.97 2br2 s ALA 45 Ca -0.10 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 2br2 s ALA 45 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2br2 s ALA 45 CO 0.07 -0.23 -0.07 0.42 0.00 0.00 0.00 175.76 175.95 2br2 s ILE 46 N -1.00 3.58 -0.07 0.00 1.01 0.38 -0.82 121.20 124.28 2br2 s ILE 46 Ca -0.11 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.12 2br2 s ILE 46 Cb -0.05 -2.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 2br2 s ILE 46 CO 0.03 0.50 -0.21 0.12 0.00 0.00 0.00 174.94 175.38 2br2 s PHE 47 N 0.42 2.15 -0.11 3.97 5.36 -0.49 -1.36 117.98 127.91 2br2 s PHE 47 Ca -0.06 -0.72 0.01 0.00 -0.96 0.00 0.00 56.93 55.20 2br2 s PHE 47 Cb -0.15 -1.44 0.02 0.00 -0.34 0.00 0.00 43.02 41.11 2br2 s PHE 47 CO 0.04 -0.26 -0.14 -1.21 -1.46 0.00 0.00 175.22 172.18 2br2 s GLU 48 N 0.12 2.13 -0.30 10.12 2.02 0.56 -1.20 118.70 132.15 2br2 s GLU 48 Ca -0.09 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.37 2br2 s GLU 48 Cb -0.14 -1.87 0.05 0.00 0.10 0.00 0.00 34.13 32.26 2br2 s GLU 48 CO 0.05 -0.11 -0.01 -1.64 0.02 0.00 0.00 175.26 173.56 2br2 s MET 49 N 1.15 2.40 4.89 1.61 -1.94 0.24 -1.60 119.30 126.04 2br2 s MET 49 Ca -0.03 -1.28 0.00 0.00 -1.71 0.00 0.00 55.69 52.66 2br2 s MET 49 Cb -0.14 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.55 2br2 s MET 49 CO -0.04 -0.62 0.00 0.41 -0.01 0.00 0.00 175.02 174.76 2br2 n GLY 50 N 4.60 3.23 0.82 -0.03 0.00 0.50 -0.86 105.19 113.46 2br2 n GLY 50 Ca -0.13 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 6.91 2.56 -4.66 1.61 3.02 -1.26 -4.85 115.26 118.59 2br2 n ASN 51 Ca 0.00 -1.85 -0.41 0.00 -0.03 0.00 0.00 54.58 52.30 2br2 n ASN 51 Cb 0.00 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 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 -1.97 4.96 -0.06 3.41 2.01 -0.04 -4.25 115.64 119.72 2br2 s THR 52 Ca 0.32 1.35 -0.00 0.00 0.31 0.00 0.00 61.69 63.67 2br2 s THR 52 Cb 0.20 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.72 2br2 s THR 52 CO 0.31 0.07 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.74 2br2 s LYS 53 N 2.07 0.75 0.06 4.92 1.02 0.07 -0.59 119.74 128.04 2br2 s LYS 53 Ca 0.32 -0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.36 2br2 s LYS 53 Cb -0.16 -0.91 -0.03 0.00 -0.52 0.00 0.00 37.83 36.22 2br2 s LYS 53 CO 0.11 -0.18 -0.17 0.00 -0.92 0.00 0.00 175.35 174.18 2br2 s ALA 54 N 1.38 1.48 -0.05 5.17 0.00 -0.34 0.18 121.76 129.56 2br2 s ALA 54 Ca -0.04 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 50.96 2br2 s ALA 54 Cb -0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2br2 s ALA 54 CO -0.03 0.29 -0.17 -1.50 0.00 0.00 0.00 175.76 174.36 2br2 s ILE 55 N -0.96 2.83 0.01 0.00 2.07 -0.26 -1.39 121.20 123.50 2br2 s ILE 55 Ca 0.04 -0.80 0.05 0.00 -1.41 0.00 0.00 60.65 58.53 2br2 s ILE 55 Cb -0.09 -2.09 -0.02 0.00 0.13 0.00 0.00 42.46 40.39 2br2 s ILE 55 CO 0.02 0.58 -0.16 0.00 -1.91 0.00 0.00 174.94 173.47 2br2 s ALA 56 N -0.58 1.35 -0.01 1.50 0.00 -0.00 -0.78 121.76 123.23 2br2 s ALA 56 Ca 0.08 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.29 2br2 s ALA 56 Cb -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2br2 s ALA 56 CO 0.01 0.30 -0.14 0.00 0.00 0.00 0.00 175.76 175.93 2br2 s ALA 57 N -0.59 1.18 -0.11 0.00 0.00 0.50 -1.75 121.76 120.99 2br2 s ALA 57 Ca 0.05 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.44 2br2 s ALA 57 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2br2 s ALA 57 CO 0.00 0.28 -0.17 0.08 0.00 0.00 0.00 175.76 175.95 2br2 s VAL 58 N -0.27 2.67 -0.38 0.00 1.01 0.10 -0.74 120.40 122.80 2br2 s VAL 58 Ca 0.04 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2br2 s VAL 58 Cb -0.06 -2.08 0.08 0.00 0.00 0.00 0.00 36.38 34.33 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 0.18 3.43 1.22 5.22 1.51 -0.27 -0.72 117.35 127.93 2br2 s TYR 59 Ca -0.10 -2.03 -0.20 0.00 -1.01 0.00 0.00 57.07 53.73 2br2 s TYR 59 Cb -0.16 -2.83 0.31 0.00 -0.11 0.00 0.00 41.96 39.17 2br2 s TYR 59 CO 0.06 -0.89 0.70 0.41 -1.11 0.00 0.00 175.55 174.72 2br2 n GLY 60 N 4.68 -3.68 3.67 0.71 0.00 -1.26 -2.65 105.19 106.67 2br2 n GLY 60 Ca -0.07 -1.19 -0.47 0.00 0.00 0.00 0.00 46.02 44.28 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 -4.78 2.14 -3.78 1.61 -0.02 -1.26 -4.66 135.00 124.24 2br2 n PRO 61 Ca 0.11 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 62.24 2br2 n PRO 61 Cb 0.48 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 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 2.33 0.53 0.25 -0.52 -2.85 -0.93 -4.95 119.74 113.59 2br2 s LYS 62 Ca 0.85 -0.03 -0.29 0.00 -1.00 0.00 0.00 55.97 55.50 2br2 s LYS 62 Cb -0.69 0.24 -0.15 0.00 -2.06 0.00 0.00 37.83 35.17 2br2 s LYS 62 CO 0.44 -0.12 0.96 0.39 0.10 0.00 0.00 175.35 177.12 2br2 n GLU 63 N 1.85 1.08 -3.57 1.78 1.02 -1.26 -0.37 120.64 121.17 2br2 n GLU 63 Ca -0.19 0.38 -0.36 0.00 -0.02 0.00 0.00 57.16 56.97 2br2 n GLU 63 Cb 0.57 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.22 4.17 0.00 3.49 1.75 -1.20 -4.69 119.30 121.61 2br2 s MET 64 Ca 0.63 0.09 0.00 0.00 -1.25 0.00 0.00 55.69 55.15 2br2 s MET 64 Cb -0.77 -3.39 0.00 0.00 2.84 0.00 0.00 34.83 33.50 2br2 s MET 64 CO 0.58 0.31 0.76 -2.39 -0.65 0.00 0.00 175.02 173.63 2br2 n HIS 65 N 3.33 0.00 -3.21 4.11 1.44 -1.26 -3.82 115.22 115.80 2br2 n HIS 65 Ca -0.13 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.17 2br2 n HIS 65 Cb 0.52 -0.26 -0.08 0.00 0.12 0.00 0.00 29.99 30.30 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 -2.03 3.56 0.43 -1.40 0.05 -1.26 -4.97 135.00 129.38 2br2 s PRO 66 Ca 0.00 -0.19 0.14 0.00 0.05 0.00 0.00 61.00 61.00 2br2 s PRO 66 Cb 0.00 -3.83 1.02 0.00 0.05 0.00 0.00 34.50 31.73 2br2 s PRO 66 CO 0.00 -0.71 1.97 -0.09 0.05 0.00 0.00 177.00 178.23 2br2 h ARG 67 N 8.52 0.42 0.00 4.56 2.43 -1.99 -1.22 114.38 127.09 2br2 h ARG 67 Ca -0.27 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2br2 h ARG 67 Cb 1.12 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2br2 h ARG 67 CO 0.80 0.27 0.00 1.12 -1.51 0.00 0.00 179.97 180.65 2br2 h HIS 68 N 0.43 0.00 -0.01 2.20 2.07 -1.93 -0.97 115.15 116.94 2br2 h HIS 68 Ca 0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.80 2br2 h HIS 68 Cb 0.55 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.53 2br2 h HIS 68 CO -0.00 0.00 -0.23 1.28 -3.07 0.00 0.00 177.93 175.91 2br2 n LEU 69 N -2.92 0.85 -4.95 6.12 4.77 -0.46 -4.90 117.00 115.50 2br2 n LEU 69 Ca -0.02 -0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 55.54 2br2 n LEU 69 Cb 0.09 -0.15 0.09 0.00 -2.33 0.00 0.00 43.42 41.12 2br2 n LEU 69 CO 0.19 0.16 0.60 -0.94 -1.33 0.00 0.00 177.39 176.07 2br2 s SER 70 N -2.53 4.56 0.07 -1.43 1.04 -0.37 -4.99 113.70 110.04 2br2 s SER 70 Ca 0.24 0.17 0.09 0.00 0.48 0.00 0.00 55.95 56.94 2br2 s SER 70 Cb 0.19 -0.72 -0.03 0.00 0.10 0.00 0.00 66.02 65.56 2br2 s SER 70 CO 0.52 -1.73 -0.26 -0.76 0.98 0.00 0.00 173.24 171.99 2br2 s LEU 71 N -5.23 2.21 0.29 2.42 1.43 -1.26 -5.02 118.68 113.53 2br2 s LEU 71 Ca 0.63 -0.63 0.15 0.00 -1.03 0.00 0.00 54.13 53.26 2br2 s LEU 71 Cb -0.09 -1.22 0.23 0.00 0.03 0.00 0.00 46.19 45.15 2br2 s LEU 71 CO 0.45 0.22 1.52 1.55 0.23 0.00 0.00 176.35 180.32 2br2 h PRO 72 N 4.55 0.00 0.00 1.29 0.13 -1.97 -0.89 132.00 135.11 2br2 h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.42 0.51 -1.34 -0.40 -0.23 0.00 0.00 178.00 176.96 2br2 n ASP 73 N -3.33 1.00 -3.45 1.44 5.75 -1.26 -4.59 116.55 112.11 2br2 n ASP 73 Ca 0.01 -0.37 -0.09 0.00 -0.01 0.00 0.00 54.79 54.33 2br2 n ASP 73 Cb 0.68 1.44 -0.01 0.00 -1.03 0.00 0.00 41.12 42.21 2br2 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2br2 s ARG 74 N -2.90 1.94 0.42 0.11 1.70 -1.26 -4.49 118.95 114.47 2br2 s ARG 74 Ca -0.01 -1.28 -0.16 0.00 -0.47 0.00 0.00 55.73 53.81 2br2 s ARG 74 Cb 0.11 0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 34.99 2br2 s ARG 74 CO 0.68 -0.88 0.87 0.00 -1.08 0.00 0.00 175.30 174.89 2br2 s ALA 75 N -3.22 3.18 -0.21 7.88 0.00 0.36 -3.26 121.76 126.49 2br2 s ALA 75 Ca 0.16 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 2br2 s ALA 75 Cb -0.04 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 2br2 s ALA 75 CO 0.10 0.07 0.24 0.08 0.00 0.00 0.00 175.76 176.25 2br2 s VAL 76 N -2.27 5.32 -0.08 0.00 1.01 -0.27 -4.93 120.40 119.18 2br2 s VAL 76 Ca 0.57 0.37 -0.20 0.00 0.00 0.00 0.00 61.98 62.72 2br2 s VAL 76 Cb -0.10 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2br2 s VAL 76 CO 0.22 0.34 0.58 -0.76 0.00 0.00 0.00 175.10 175.48 2br2 s LEU 77 N 0.91 4.31 -0.22 3.92 1.43 -1.26 -0.88 118.68 126.90 2br2 s LEU 77 Ca 0.12 1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 54.20 2br2 s LEU 77 Cb -0.13 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.23 2br2 s LEU 77 CO 0.04 -0.03 -0.10 -0.13 0.23 0.00 0.00 176.35 176.37 2br2 s ARG 78 N 0.57 3.10 -0.04 1.70 0.52 -0.45 -4.95 118.95 119.40 2br2 s ARG 78 Ca 0.31 -0.79 0.05 0.00 -0.52 0.00 0.00 55.73 54.78 2br2 s ARG 78 Cb -0.16 -2.87 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 2br2 s ARG 78 CO 0.14 -0.26 -0.19 0.08 0.02 0.00 0.00 175.30 175.09 2br2 s VAL 79 N 1.38 1.59 -0.18 3.52 1.01 -1.26 -0.20 120.40 126.26 2br2 s VAL 79 Ca 0.04 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2br2 s VAL 79 Cb -0.15 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.91 2br2 s VAL 79 CO -0.07 0.45 -0.14 -0.60 0.00 0.00 0.00 175.10 174.74 2br2 s ARG 80 N -0.09 2.42 -0.27 2.72 3.52 -0.54 -4.91 118.95 121.80 2br2 s ARG 80 Ca -0.02 -0.80 -0.10 0.00 -0.13 0.00 0.00 55.73 54.68 2br2 s ARG 80 Cb -0.11 -2.41 -0.05 0.00 -1.56 0.00 0.00 34.95 30.82 2br2 s ARG 80 CO 0.02 -0.32 0.16 -0.47 -0.81 0.00 0.00 175.30 173.88 2br2 s TYR 81 N 1.37 3.20 -0.04 5.12 5.04 -1.26 -1.20 117.35 129.57 2br2 s TYR 81 Ca 0.02 0.02 -0.05 0.00 -2.44 0.00 0.00 57.07 54.62 2br2 s TYR 81 Cb -0.15 -2.33 0.01 0.00 0.35 0.00 0.00 41.96 39.84 2br2 s TYR 81 CO -0.10 -0.17 0.14 -1.58 -1.34 0.00 0.00 175.55 172.50 2br2 s HIS 82 N 1.62 -0.12 -0.19 4.97 2.46 -0.98 -4.81 115.29 118.24 2br2 s HIS 82 Ca 0.07 0.29 -0.06 0.00 0.47 0.00 0.00 55.06 55.83 2br2 s HIS 82 Cb -0.15 0.03 -0.03 0.00 -0.13 0.00 0.00 32.58 32.30 2br2 s HIS 82 CO 0.09 -0.10 0.02 -1.64 -2.47 0.00 0.00 174.74 170.63 2br2 s MET 83 N -0.14 3.74 0.54 2.88 1.00 -1.26 0.08 119.30 126.14 2br2 s MET 83 Ca -0.02 -0.46 -0.20 0.00 0.00 0.00 0.00 55.69 55.00 2br2 s MET 83 Cb -0.02 -3.12 -0.05 0.00 0.00 0.00 0.00 34.83 31.64 2br2 s MET 83 CO 0.00 0.11 1.20 0.95 0.00 0.00 0.00 175.02 177.29 2br2 s THR 84 N 0.76 2.80 0.61 2.05 -4.23 -0.74 -4.83 115.64 112.05 2br2 s THR 84 Ca 0.01 0.54 0.32 0.00 -1.18 0.00 0.00 61.69 61.38 2br2 s THR 84 Cb -0.14 -3.24 0.37 0.00 1.34 0.00 0.00 72.50 70.83 2br2 s THR 84 CO 0.02 -0.07 2.18 -0.65 -0.54 0.00 0.00 174.62 175.57 2br2 h PRO 85 N 1.35 0.00 -0.53 3.99 0.11 -1.91 -1.90 132.00 133.11 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 0.57 0.00 0.05 1.97 -0.21 0.00 0.00 178.00 180.38 2br2 n PHE 86 N -3.65 1.89 0.55 0.65 1.16 -1.26 -2.21 117.46 114.59 2br2 n PHE 86 Ca -0.01 -0.88 0.12 0.00 -1.87 0.00 0.00 57.45 54.81 2br2 n PHE 86 Cb 0.21 -0.51 0.23 0.00 -1.61 0.00 0.00 39.48 37.81 2br2 n PHE 86 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 2br2 h SER 87 N 3.17 0.00 -1.92 5.98 4.64 -1.49 -3.46 113.55 120.47 2br2 h SER 87 Ca 0.06 -0.13 -0.60 0.00 -0.47 0.00 0.00 61.79 60.66 2br2 h SER 87 Cb 1.93 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.89 2br2 h SER 87 CO 0.48 0.06 -0.55 0.42 -0.87 0.00 0.00 176.83 176.38 2br2 s THR 88 N -3.16 1.14 0.13 2.95 -4.23 -1.26 -0.19 115.64 111.02 2br2 s THR 88 Ca 0.07 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.46 2br2 s THR 88 Cb 0.12 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 2br2 s THR 88 CO 0.68 0.00 1.51 0.44 -0.54 0.00 0.00 174.62 176.72 2br2 h ASP 89 N 1.69 0.87 -2.94 3.99 3.32 -1.91 -3.41 116.42 118.02 2br2 h ASP 89 Ca -0.41 -0.40 -0.63 0.00 0.02 0.00 0.00 57.03 55.61 2br2 h ASP 89 Cb 1.28 -0.24 -0.08 0.00 0.22 0.00 0.00 39.33 40.51 2br2 h ASP 89 CO 0.69 1.08 -0.38 -1.61 -1.72 0.00 0.00 179.24 177.30 2br2 s GLU 90 N -4.65 3.81 0.12 3.56 2.02 -1.26 -5.04 118.70 117.27 2br2 s GLU 90 Ca -0.12 0.05 -0.31 0.00 0.02 0.00 0.00 54.97 54.61 2br2 s GLU 90 Cb 0.11 -3.27 -0.10 0.00 0.10 0.00 0.00 34.13 30.96 2br2 s GLU 90 CO 0.84 0.60 1.82 0.50 0.02 0.00 0.00 175.26 179.04 2br2 s ARG 91 N -0.59 4.14 0.17 1.61 3.52 -1.26 -4.92 118.95 121.61 2br2 s ARG 91 Ca 0.17 2.59 -0.28 0.00 -0.13 0.00 0.00 55.73 58.07 2br2 s ARG 91 Cb -0.13 -3.58 -0.08 0.00 -1.56 0.00 0.00 34.95 29.60 2br2 s ARG 91 CO 0.06 -0.84 0.89 0.15 -0.81 0.00 0.00 175.30 174.75 2br2 s LYS 92 N 2.70 4.72 0.11 5.12 1.02 -0.94 -5.04 119.74 127.43 2br2 s LYS 92 Ca 0.81 1.36 -0.31 0.00 0.02 0.00 0.00 55.97 57.85 2br2 s LYS 92 Cb -0.46 -3.31 -0.09 0.00 -0.52 0.00 0.00 37.83 33.45 2br2 s LYS 92 CO 0.36 0.43 1.63 1.21 -0.92 0.00 0.00 175.35 178.07 2br2 s ASN 93 N -0.77 6.58 0.55 2.83 3.84 -1.26 -4.30 114.94 122.41 2br2 s ASN 93 Ca 0.41 2.55 0.30 0.00 0.21 0.00 0.00 52.86 56.34 2br2 s ASN 93 Cb -0.24 -2.57 1.61 0.00 -0.55 0.00 0.00 41.25 39.49 2br2 s ASN 93 CO 0.29 -0.87 2.12 1.55 -2.79 0.00 0.00 177.10 177.40 2br2 h PRO 94 N 7.77 0.00 -6.78 0.43 0.13 -1.96 -3.44 132.00 128.15 2br2 h PRO 94 Ca -0.43 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.14 2br2 h PRO 94 Cb 1.20 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.44 2br2 h PRO 94 CO 0.93 0.08 0.65 0.00 -0.23 0.00 0.00 178.00 179.42 2br2 n ALA 95 N -2.24 1.74 -2.08 -0.56 0.00 -1.26 -4.88 120.51 111.23 2br2 n ALA 95 Ca -0.02 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2br2 n ALA 95 Cb 0.21 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 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 -1.52 4.34 0.46 0.00 0.02 -1.26 -5.01 135.00 132.03 2br2 s PRO 96 Ca 0.58 2.10 -0.05 0.00 0.02 0.00 0.00 61.00 63.65 2br2 s PRO 96 Cb -0.55 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 30.72 2br2 s PRO 96 CO 0.59 -0.37 0.76 -1.54 -0.33 0.00 0.00 177.00 176.10 2br2 s SER 97 N 0.76 6.28 0.29 2.53 1.04 -1.26 -4.92 113.70 118.42 2br2 s SER 97 Ca 0.61 0.88 0.04 0.00 0.48 0.00 0.00 55.95 57.96 2br2 s SER 97 Cb -0.37 -2.22 0.67 0.00 0.10 0.00 0.00 66.02 64.19 2br2 s SER 97 CO 0.34 -0.54 1.79 0.03 0.98 0.00 0.00 173.24 175.85 2br2 h ARG 98 N 0.33 0.79 -0.40 4.02 3.08 -1.99 0.67 114.38 120.88 2br2 h ARG 98 Ca -0.47 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 59.57 2br2 h ARG 98 Cb 1.21 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 2br2 h ARG 98 CO 0.62 0.53 0.17 -0.09 -1.07 0.00 0.00 179.97 180.12 2br2 h ARG 99 N 0.82 0.33 -0.41 0.04 2.43 -1.99 -0.30 114.38 115.30 2br2 h ARG 99 Ca 0.55 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.64 2br2 h ARG 99 Cb 0.76 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2br2 h ARG 99 CO -0.35 0.22 0.02 0.93 -1.51 0.00 0.00 179.97 179.28 2br2 h GLU 100 N 0.34 0.66 -0.08 0.20 5.08 -1.28 -0.64 114.58 118.86 2br2 h GLU 100 Ca 0.18 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2br2 h GLU 100 Cb 0.14 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2br2 h GLU 100 CO -0.16 0.66 -0.01 0.82 -1.00 0.00 0.00 179.01 179.32 2br2 h ILE 101 N 0.63 1.28 0.01 3.13 2.04 -0.65 -0.62 117.51 123.31 2br2 h ILE 101 Ca 0.13 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 2br2 h ILE 101 Cb 0.37 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2br2 h ILE 101 CO 0.01 0.24 -0.00 -0.08 0.00 0.00 0.00 178.15 178.32 2br2 h GLU 102 N -0.17 -0.01 -0.29 2.37 4.81 -0.89 -2.79 114.58 117.60 2br2 h GLU 102 Ca 0.02 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2br2 h GLU 102 Cb 0.39 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2br2 h GLU 102 CO 0.01 0.03 0.02 -0.07 -0.73 0.00 0.00 179.01 178.26 2br2 h LEU 103 N -0.05 0.40 -0.53 1.64 3.38 -1.11 -0.10 115.31 118.93 2br2 h LEU 103 Ca -0.00 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2br2 h LEU 103 Cb 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2br2 h LEU 103 CO 0.00 0.45 0.32 0.28 0.09 0.00 0.00 178.44 179.58 2br2 h SER 104 N 0.42 0.52 -0.03 -0.43 0.02 -1.00 0.10 113.55 113.16 2br2 h SER 104 Ca 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2br2 h SER 104 Cb 0.24 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2br2 h SER 104 CO 0.00 0.37 0.01 0.50 -1.14 0.00 0.00 176.83 176.57 2br2 h LYS 105 N 0.64 0.04 -0.23 3.45 3.64 -0.95 0.36 116.57 123.52 2br2 h LYS 105 Ca 0.21 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2br2 h LYS 105 Cb 0.02 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2br2 h LYS 105 CO -0.09 0.27 0.08 0.28 -2.27 0.00 0.00 179.45 177.71 2br2 h VAL 106 N -0.18 0.94 -0.37 2.00 2.07 -0.84 -0.41 116.25 119.46 2br2 h VAL 106 Ca 0.01 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2br2 h VAL 106 Cb 0.24 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2br2 h VAL 106 CO 0.00 0.03 0.22 0.40 0.02 0.00 0.00 177.57 178.24 2br2 h ILE 107 N 0.18 1.12 -0.36 4.57 2.04 -0.72 -1.88 117.51 122.46 2br2 h ILE 107 Ca 0.10 -0.28 0.07 0.00 1.00 0.00 0.00 64.86 65.75 2br2 h ILE 107 Cb 0.07 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 2br2 h ILE 107 CO -0.11 0.12 -0.05 -0.09 0.00 0.00 0.00 178.15 178.02 2br2 h ARG 108 N 0.48 0.04 -0.66 2.37 2.43 -0.39 -1.16 114.38 117.49 2br2 h ARG 108 Ca 0.13 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2br2 h ARG 108 Cb 0.00 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2br2 h ARG 108 CO -0.02 0.03 0.33 0.93 -1.51 0.00 0.00 179.97 179.72 2br2 h GLU 109 N 0.04 0.92 -0.31 0.20 5.08 -0.82 0.50 114.58 120.19 2br2 h GLU 109 Ca 0.17 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2br2 h GLU 109 Cb 0.26 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2br2 h GLU 109 CO -0.34 0.70 0.17 0.00 -1.00 0.00 0.00 179.01 178.55 2br2 h ALA 110 N 1.44 0.39 -0.30 3.43 0.00 -0.64 -2.62 119.26 120.95 2br2 h ALA 110 Ca 0.23 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2br2 h ALA 110 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2br2 h ALA 110 CO -0.03 -0.20 -0.21 -0.07 0.00 0.00 0.00 179.25 178.74 2br2 h LEU 111 N 0.36 0.56 -1.70 0.00 3.38 -0.21 -2.80 115.31 114.90 2br2 h LEU 111 Ca 0.13 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2br2 h LEU 111 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2br2 h LEU 111 CO -0.07 0.77 -0.18 -0.33 0.09 0.00 0.00 178.44 178.72 2br2 h GLU 112 N 0.50 0.00 0.00 1.13 5.08 -0.59 0.21 114.58 120.91 2br2 h GLU 112 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2br2 h GLU 112 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2br2 h GLU 112 CO 0.05 0.18 0.00 -1.13 -1.00 0.00 0.00 179.01 177.11 2br2 n SER 113 N -4.08 0.48 -0.09 1.42 3.41 -1.03 -4.01 113.62 109.72 2br2 n SER 113 Ca -0.02 0.56 -0.14 0.00 -0.26 0.00 0.00 58.87 59.01 2br2 n SER 113 Cb 0.26 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.45 2br2 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2br2 n ALA 114 N -1.67 1.67 -2.37 7.33 0.00 -0.13 -4.84 120.51 120.49 2br2 n ALA 114 Ca 0.05 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.33 2br2 n ALA 114 Cb 0.34 0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.35 4.15 -1.33 0.00 1.01 0.57 0.01 120.40 122.46 2br2 s VAL 115 Ca -0.24 1.62 -0.15 0.00 0.00 0.00 0.00 61.98 63.21 2br2 s VAL 115 Cb 0.07 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2br2 s VAL 115 CO 0.38 0.17 2.19 0.18 0.00 0.00 0.00 175.10 178.03 2br2 n LEU 116 N 3.47 6.38 0.29 3.92 4.77 -0.72 -4.75 117.00 130.36 2br2 n LEU 116 Ca 0.07 -3.90 0.14 0.00 -0.03 0.00 0.00 56.01 52.29 2br2 n LEU 116 Cb 0.47 -1.55 0.86 0.00 -2.33 0.00 0.00 43.42 40.88 2br2 n LEU 116 CO 0.54 0.85 1.10 -0.37 -1.33 0.00 0.00 177.39 178.18 2br2 h VAL 117 N 4.06 0.58 0.00 4.08 -1.51 -1.89 -2.40 116.25 119.16 2br2 h VAL 117 Ca 0.55 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 65.93 2br2 h VAL 117 Cb 0.63 1.05 -0.00 0.00 -2.13 0.00 0.00 31.29 30.84 2br2 h VAL 117 CO 1.90 0.02 -0.03 -0.33 -1.23 0.00 0.00 177.57 177.89 2br2 h GLU 118 N 0.00 0.00 0.00 5.19 3.07 -1.85 0.13 114.58 121.11 2br2 h GLU 118 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2br2 h GLU 118 Cb 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2br2 h GLU 118 CO 0.00 0.03 -0.05 -0.07 -1.40 0.00 0.00 179.01 177.52 2br2 h LEU 119 N 0.00 0.00 -6.12 1.33 4.07 -1.71 -3.37 115.31 109.51 2br2 h LEU 119 Ca -0.00 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.37 2br2 h LEU 119 Cb 0.13 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.46 2br2 h LEU 119 CO 0.00 0.05 -0.79 0.49 -1.08 0.00 0.00 178.44 177.12 2br2 n PHE 120 N -3.24 2.13 -1.52 1.13 3.01 -0.76 -5.04 117.46 113.17 2br2 n PHE 120 Ca -0.01 -3.93 -0.35 0.00 1.01 0.00 0.00 57.45 54.18 2br2 n PHE 120 Cb 0.26 -0.48 0.08 0.00 -0.01 0.00 0.00 39.48 39.34 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 -1.98 2.27 -1.10 -1.08 0.02 -1.26 -2.41 135.00 129.45 2br2 s PRO 121 Ca 0.38 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2br2 s PRO 121 Cb 0.16 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.83 2br2 s PRO 121 CO -0.05 -1.74 0.00 0.54 -0.33 0.00 0.00 177.00 175.42 2br2 n ARG 122 N -2.53 -1.58 -4.28 5.54 5.12 -0.34 -4.86 116.66 113.73 2br2 n ARG 122 Ca 0.14 0.85 -0.24 0.00 -1.93 0.00 0.00 57.85 56.66 2br2 n ARG 122 Cb 0.50 -5.20 -0.08 0.00 -1.16 0.00 0.00 32.46 26.52 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 -1.95 2.63 0.02 0.55 -4.23 -1.18 -3.21 115.64 108.27 2br2 s THR 123 Ca 0.00 -1.89 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 2br2 s THR 123 Cb 0.00 -2.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 2br2 s THR 123 CO 0.00 -0.16 -0.25 0.00 -0.54 0.00 0.00 174.62 173.67 2br2 s ALA 124 N -2.52 2.07 -0.23 3.99 0.00 0.50 -1.11 121.76 124.46 2br2 s ALA 124 Ca 0.36 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 2br2 s ALA 124 Cb 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.69 2br2 s ALA 124 CO 0.20 0.49 -0.10 0.42 0.00 0.00 0.00 175.76 176.78 2br2 s ILE 125 N -0.72 2.64 -0.23 0.00 1.01 -0.06 -2.19 121.20 121.65 2br2 s ILE 125 Ca 0.10 -1.03 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 2br2 s ILE 125 Cb -0.10 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 2br2 s ILE 125 CO 0.01 0.28 0.25 -1.81 0.00 0.00 0.00 174.94 173.67 2br2 s ASP 126 N 1.30 6.22 -0.27 3.58 1.01 -1.08 -1.34 116.67 126.09 2br2 s ASP 126 Ca 0.01 0.24 0.02 0.00 0.71 0.00 0.00 52.55 53.53 2br2 s ASP 126 Cb -0.16 -2.15 0.06 0.00 1.01 0.00 0.00 42.92 41.67 2br2 s ASP 126 CO -0.07 -0.00 -0.08 -0.69 0.21 0.00 0.00 175.17 174.54 2br2 s VAL 127 N 1.25 2.42 -0.16 -1.27 1.01 0.72 -1.11 120.40 123.26 2br2 s VAL 127 Ca 0.12 -1.56 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 2br2 s VAL 127 Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2br2 s VAL 127 CO 0.06 -0.05 -0.01 -0.36 0.00 0.00 0.00 175.10 174.75 2br2 s PHE 128 N 1.15 3.09 -0.06 5.22 0.40 0.08 -1.46 117.98 126.40 2br2 s PHE 128 Ca -0.08 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.10 2br2 s PHE 128 Cb -0.20 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.34 2br2 s PHE 128 CO -0.04 0.02 -0.17 0.99 0.70 0.00 0.00 175.22 176.72 2br2 s THR 129 N 0.37 1.50 -0.09 0.64 2.01 -0.34 -0.37 115.64 119.36 2br2 s THR 129 Ca -0.02 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.26 2br2 s THR 129 Cb -0.14 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.09 2br2 s THR 129 CO 0.02 0.43 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.70 2br2 s GLU 130 N 0.23 1.34 -0.31 4.92 0.41 0.04 -2.33 118.70 123.00 2br2 s GLU 130 Ca -0.09 -0.22 -0.26 0.00 -0.41 0.00 0.00 54.97 53.99 2br2 s GLU 130 Cb -0.14 -1.35 0.01 0.00 -1.78 0.00 0.00 34.13 30.87 2br2 s GLU 130 CO 0.04 -0.17 0.93 0.42 -0.49 0.00 0.00 175.26 175.98 2br2 s ILE 131 N 1.37 4.67 -0.08 -1.63 1.09 0.11 -1.11 121.20 125.62 2br2 s ILE 131 Ca -0.02 1.47 0.07 0.00 -1.10 0.00 0.00 60.65 61.07 2br2 s ILE 131 Cb -0.14 -4.27 -0.24 0.00 -1.06 0.00 0.00 42.46 36.75 2br2 s ILE 131 CO -0.04 -0.34 0.53 0.18 -0.10 0.00 0.00 174.94 175.17 2br2 n LEU 132 N 6.49 1.38 -3.82 2.97 4.77 0.13 -1.79 117.00 127.13 2br2 n LEU 132 Ca 0.08 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 2br2 n LEU 132 Cb 0.48 -0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 41.22 2br2 n LEU 132 CO 0.54 0.54 -0.26 -1.10 -1.33 0.00 0.00 177.39 175.78 2br2 s GLN 133 N -2.58 0.10 -0.15 3.23 -0.21 -1.15 -4.13 119.66 114.77 2br2 s GLN 133 Ca -0.11 0.18 -0.02 0.00 0.02 0.00 0.00 55.36 55.43 2br2 s GLN 133 Cb 0.07 -0.01 -0.02 0.00 1.00 0.00 0.00 33.01 34.06 2br2 s GLN 133 CO 0.80 -0.05 -0.09 0.00 -2.12 0.00 0.00 175.29 173.84 2br2 s ALA 134 N 0.31 2.76 -0.34 6.09 0.00 0.73 -0.75 121.76 130.57 2br2 s ALA 134 Ca -0.02 -0.93 0.16 0.00 0.00 0.00 0.00 51.96 51.17 2br2 s ALA 134 Cb -0.03 -1.40 0.44 0.00 0.00 0.00 0.00 23.12 22.13 2br2 s ALA 134 CO -0.01 0.10 1.01 -3.47 0.00 0.00 0.00 175.76 173.39 2br2 n ASP 135 N 3.78 0.84 -0.92 0.00 2.03 -1.26 -4.78 116.55 116.23 2br2 n ASP 135 Ca -0.18 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.45 2br2 n ASP 135 Cb 0.52 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 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 -0.14 -1.44 -0.85 -1.67 0.00 -1.26 -3.44 120.51 111.71 2br2 n ALA 136 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2br2 n ALA 136 Cb 0.82 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.88 0.55 0.24 0.00 0.00 -1.26 -4.78 105.19 98.05 2br2 n GLY 137 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 0.33 -0.66 1.61 0.02 -1.95 -1.23 113.55 111.67 2br2 h SER 138 Ca 0.00 0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.09 2br2 h SER 138 Cb 0.00 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2br2 h SER 138 CO 0.00 0.20 0.44 0.08 -1.14 0.00 0.00 176.83 176.41 2br2 h ARG 139 N 0.49 0.58 0.23 3.45 0.11 -1.99 0.14 114.38 117.39 2br2 h ARG 139 Ca 0.30 -0.04 -0.33 0.00 0.10 0.00 0.00 59.98 60.02 2br2 h ARG 139 Cb 0.31 -0.13 0.03 0.00 1.11 0.00 0.00 29.97 31.30 2br2 h ARG 139 CO -0.26 0.39 -1.43 -0.07 0.10 0.00 0.00 179.97 178.70 2br2 h LEU 140 N 0.60 0.82 -0.45 0.08 3.38 -1.66 -1.54 115.31 116.54 2br2 h LEU 140 Ca 0.29 -0.86 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 2br2 h LEU 140 Cb 0.37 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2br2 h LEU 140 CO -0.09 1.67 0.20 0.58 0.09 0.00 0.00 178.44 180.89 2br2 h VAL 141 N 0.16 1.19 -0.31 1.22 2.07 -0.74 0.82 116.25 120.65 2br2 h VAL 141 Ca -0.24 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2br2 h VAL 141 Cb 2.12 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 2br2 h VAL 141 CO 0.27 0.21 0.11 -1.28 0.02 0.00 0.00 177.57 176.90 2br2 h SER 142 N 0.58 0.12 -0.41 0.57 0.87 -0.80 0.60 113.55 115.08 2br2 h SER 142 Ca 0.15 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2br2 h SER 142 Cb 0.14 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2br2 h SER 142 CO -0.02 0.11 0.25 0.25 -0.53 0.00 0.00 176.83 176.89 2br2 h LEU 143 N 0.25 0.49 -0.41 2.23 5.85 -0.86 -0.06 115.31 122.80 2br2 h LEU 143 Ca 0.14 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2br2 h LEU 143 Cb 0.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2br2 h LEU 143 CO -0.14 0.40 0.08 0.24 -0.34 0.00 0.00 178.44 178.68 2br2 h MET 144 N 0.55 0.67 -0.68 1.25 2.86 -0.66 0.16 114.93 119.07 2br2 h MET 144 Ca 0.15 -0.17 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 2br2 h MET 144 Cb -0.00 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.51 2br2 h MET 144 CO -0.03 0.70 0.37 0.00 1.06 0.00 0.00 176.91 179.01 2br2 h ALA 145 N 0.94 0.92 0.23 6.32 0.00 -0.63 0.40 119.26 127.45 2br2 h ALA 145 Ca 0.13 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2br2 h ALA 145 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2br2 h ALA 145 CO 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 179.25 179.12 2br2 h ALA 146 N 1.37 -0.38 -0.71 0.00 0.00 -0.66 0.26 119.26 119.14 2br2 h ALA 146 Ca 0.31 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.29 2br2 h ALA 146 Cb 0.23 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 2br2 h ALA 146 CO -0.20 -0.73 0.26 1.03 0.00 0.00 0.00 179.25 179.61 2br2 h SER 147 N -0.40 0.22 0.34 0.00 0.87 -0.06 -0.22 113.55 114.30 2br2 h SER 147 Ca -0.02 0.11 -0.17 0.00 -1.23 0.00 0.00 61.79 60.48 2br2 h SER 147 Cb 0.35 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2br2 h SER 147 CO 0.00 0.09 -0.72 -0.07 -0.53 0.00 0.00 176.83 175.61 2br2 h LEU 148 N 0.41 0.38 -0.83 2.23 3.38 -0.69 -2.23 115.31 117.96 2br2 h LEU 148 Ca 0.38 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2br2 h LEU 148 Cb 0.57 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2br2 h LEU 148 CO -0.39 0.98 -0.14 0.00 0.09 0.00 0.00 178.44 178.97 2br2 h ALA 149 N 1.02 1.01 -0.48 1.53 0.00 0.17 0.36 119.26 122.87 2br2 h ALA 149 Ca -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2br2 h ALA 149 Cb 1.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2br2 h ALA 149 CO 0.12 0.59 0.21 -0.07 0.00 0.00 0.00 179.25 180.10 2br2 h LEU 150 N 0.65 0.64 -0.76 0.00 3.38 -0.97 -0.04 115.31 118.21 2br2 h LEU 150 Ca 0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2br2 h LEU 150 Cb 0.61 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2br2 h LEU 150 CO 0.04 0.61 0.36 0.00 0.09 0.00 0.00 178.44 179.54 2br2 h ALA 151 N 1.06 0.98 -0.17 1.53 0.00 -0.93 -1.64 119.26 120.09 2br2 h ALA 151 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2br2 h ALA 151 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2br2 h ALA 151 CO -0.02 0.55 -0.01 0.22 0.00 0.00 0.00 179.25 180.00 2br2 h ASP 152 N 1.07 0.22 0.43 0.00 3.58 0.18 -0.89 116.42 121.01 2br2 h ASP 152 Ca 0.26 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2br2 h ASP 152 Cb 0.12 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2br2 h ASP 152 CO -0.03 0.27 -0.06 0.00 -2.88 0.00 0.00 179.24 176.54 2br2 n ALA 153 N -2.50 2.64 -1.85 -0.78 0.00 -0.07 -4.72 120.51 113.23 2br2 n ALA 153 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 2br2 n ALA 153 Cb 0.17 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 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 1.26 0.34 3.64 0.00 0.00 -0.34 -4.90 105.19 105.19 2br2 n GLY 154 Ca 0.15 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.34 4.91 0.22 -0.61 1.01 -0.68 -5.00 121.20 118.70 2br2 s ILE 155 Ca 0.00 1.38 -0.31 0.00 0.00 0.00 0.00 60.65 61.72 2br2 s ILE 155 Cb 0.00 -4.04 -0.11 0.00 0.01 0.00 0.00 42.46 38.32 2br2 s ILE 155 CO 0.00 -0.02 1.59 -2.84 0.00 0.00 0.00 174.94 173.67 2br2 s PRO 156 N 2.61 4.18 0.13 2.79 0.02 -1.26 -4.53 135.00 138.94 2br2 s PRO 156 Ca 0.31 2.46 0.01 0.00 0.02 0.00 0.00 61.00 63.80 2br2 s PRO 156 Cb -0.15 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 2br2 s PRO 156 CO 0.08 -0.62 -0.00 -1.64 -0.33 0.00 0.00 177.00 174.49 2br2 s MET 157 N 0.54 0.93 0.23 5.54 -1.94 -1.26 -1.76 119.30 121.59 2br2 s MET 157 Ca 0.68 -1.42 -0.04 0.00 -1.71 0.00 0.00 55.69 53.20 2br2 s MET 157 Cb -0.46 -0.06 0.24 0.00 2.01 0.00 0.00 34.83 36.57 2br2 s MET 157 CO 0.37 -0.13 1.70 0.00 -0.01 0.00 0.00 175.02 176.95 2br2 h ARG 158 N 2.86 0.84 -1.74 2.03 3.08 -0.74 -3.47 114.38 117.24 2br2 h ARG 158 Ca -0.36 -0.26 0.26 0.00 0.07 0.00 0.00 59.98 59.69 2br2 h ARG 158 Cb 1.18 -0.08 -0.13 0.00 0.08 0.00 0.00 29.97 31.03 2br2 h ARG 158 CO 0.63 0.88 0.71 0.34 -1.07 0.00 0.00 179.97 181.46 2br2 s ASP 159 N -6.66 -0.13 0.84 7.04 2.15 -1.26 -5.01 116.67 113.64 2br2 s ASP 159 Ca -0.10 -0.16 -0.12 0.00 0.43 0.00 0.00 52.55 52.60 2br2 s ASP 159 Cb 0.14 0.26 0.10 0.00 -0.30 0.00 0.00 42.92 43.11 2br2 s ASP 159 CO 0.83 -0.46 1.10 -0.76 -0.17 0.00 0.00 175.17 175.70 2br2 s LEU 160 N -2.78 2.43 -0.16 -1.34 1.43 -1.26 -4.94 118.68 112.06 2br2 s LEU 160 Ca 0.12 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.58 2br2 s LEU 160 Cb 0.02 -3.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.33 2br2 s LEU 160 CO -0.03 -2.28 -0.11 -0.63 0.23 0.00 0.00 176.35 173.54 2br2 s ILE 161 N -3.06 3.13 0.02 -0.59 1.01 -1.26 -4.17 121.20 116.28 2br2 s ILE 161 Ca 0.62 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.74 2br2 s ILE 161 Cb -0.16 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 2br2 s ILE 161 CO 0.55 0.50 -0.24 0.00 0.00 0.00 0.00 174.94 175.75 2br2 s ALA 162 N 0.66 2.05 0.03 9.38 0.00 -0.46 -4.62 121.76 128.80 2br2 s ALA 162 Ca -0.06 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 2br2 s ALA 162 Cb -0.15 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.51 2br2 s ALA 162 CO 0.02 0.49 0.23 0.20 0.00 0.00 0.00 175.76 176.70 2br2 s GLY 163 N -0.95 -0.02 0.03 0.00 0.00 -1.26 -0.55 107.32 104.56 2br2 s GLY 163 Ca 0.10 -0.14 -0.07 0.00 0.00 0.00 0.00 44.72 44.61 2br2 s GLY 163 CO 0.01 -0.32 0.14 -1.34 0.00 0.00 0.00 173.10 171.58 2br2 s VAL 164 N -2.31 0.11 -0.16 1.40 -7.23 -0.43 -4.91 120.40 106.87 2br2 s VAL 164 Ca -0.07 -0.90 -0.18 0.00 -1.81 0.00 0.00 61.98 59.02 2br2 s VAL 164 Cb -0.02 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 2br2 s VAL 164 CO -0.02 -0.50 0.47 0.00 -0.31 0.00 0.00 175.10 174.74 2br2 s ALA 165 N -2.16 3.51 0.27 1.32 0.00 -1.26 -1.00 121.76 122.44 2br2 s ALA 165 Ca -0.09 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 51.64 2br2 s ALA 165 Cb -0.03 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 2br2 s ALA 165 CO -0.02 -0.18 0.15 0.54 0.00 0.00 0.00 175.76 176.25 2br2 s VAL 166 N 1.05 4.05 0.02 0.00 0.11 -0.48 0.39 120.40 125.54 2br2 s VAL 166 Ca 0.24 -1.54 -0.03 0.00 -2.93 0.00 0.00 61.98 57.72 2br2 s VAL 166 Cb -0.15 -3.22 0.01 0.00 -1.53 0.00 0.00 36.38 31.49 2br2 s VAL 166 CO 0.09 -0.33 0.13 0.61 -3.33 0.00 0.00 175.10 172.27 2br2 n GLY 167 N -1.12 1.23 2.99 6.54 0.00 -0.12 0.37 105.19 115.07 2br2 n GLY 167 Ca -0.07 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.01 1.88 0.00 1.61 2.20 -1.07 -0.37 119.74 121.99 2br2 s LYS 168 Ca 0.03 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2br2 s LYS 168 Cb -0.00 -1.73 0.00 0.00 -1.51 0.00 0.00 37.83 34.59 2br2 s LYS 168 CO 0.01 -0.16 0.00 0.00 -0.36 0.00 0.00 175.35 174.84 2br2 n ALA 169 N 4.52 0.02 -2.85 3.13 0.00 0.42 -0.73 120.51 125.03 2br2 n ALA 169 Ca -0.17 -0.03 -0.27 0.00 0.00 0.00 0.00 53.44 52.96 2br2 n ALA 169 Cb 0.51 0.00 -0.03 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 -1.62 4.63 0.00 0.00 8.00 -1.26 -4.27 116.55 122.02 2br2 n ASP 170 Ca 0.00 -3.70 0.00 0.00 0.71 0.00 0.00 54.79 51.80 2br2 n ASP 170 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 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 -0.29 2.02 3.70 0.44 0.00 -1.26 -5.01 105.19 104.79 2br2 n GLY 171 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.37 5.27 -0.06 1.61 1.01 -1.26 -5.07 120.40 118.54 2br2 s VAL 172 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 2br2 s VAL 172 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2br2 s VAL 172 CO 0.00 0.43 1.15 -0.63 0.00 0.00 0.00 175.10 176.05 2br2 s ILE 173 N 0.46 4.38 0.16 2.22 1.01 -1.26 -0.43 121.20 127.73 2br2 s ILE 173 Ca 0.07 1.69 0.06 0.00 0.00 0.00 0.00 60.65 62.47 2br2 s ILE 173 Cb -0.12 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2br2 s ILE 173 CO -0.01 0.01 -0.13 0.27 0.00 0.00 0.00 174.94 175.09 2br2 s ILE 174 N 2.07 1.38 -0.14 2.92 -4.36 0.50 -4.81 121.20 118.77 2br2 s ILE 174 Ca 0.54 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.92 2br2 s ILE 174 Cb -0.23 -1.80 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 2br2 s ILE 174 CO 0.22 -0.60 -0.10 -0.22 0.24 0.00 0.00 174.94 174.47 2br2 s LEU 175 N -2.99 2.88 -0.25 0.37 2.96 0.16 -0.94 118.68 120.87 2br2 s LEU 175 Ca 0.16 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 2br2 s LEU 175 Cb -0.01 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 45.03 2br2 s LEU 175 CO 0.03 0.17 0.22 -0.67 -1.32 0.00 0.00 176.35 174.78 2br2 n ASP 176 N 3.51 -5.98 -4.77 3.68 2.03 0.16 -4.66 116.55 110.52 2br2 n ASP 176 Ca -0.18 0.63 -0.38 0.00 0.52 0.00 0.00 54.79 55.38 2br2 n ASP 176 Cb 0.53 -3.91 -0.06 0.00 -0.72 0.00 0.00 41.12 36.96 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 -1.62 4.39 1.20 -2.67 1.43 -1.23 -4.76 118.68 115.41 2br2 s LEU 177 Ca 0.09 1.93 -0.13 0.00 -1.03 0.00 0.00 54.13 54.99 2br2 s LEU 177 Cb -0.03 -3.93 0.30 0.00 0.03 0.00 0.00 46.19 42.57 2br2 s LEU 177 CO 0.52 -0.09 0.98 0.59 0.23 0.00 0.00 176.35 178.57 2br2 n ASN 178 N 0.71 -1.95 -0.27 2.29 5.03 -1.26 -4.59 115.26 115.22 2br2 n ASN 178 Ca 0.01 -0.22 -0.07 0.00 0.87 0.00 0.00 54.58 55.17 2br2 n ASN 178 Cb 0.49 -1.23 0.05 0.00 -1.02 0.00 0.00 39.78 38.07 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 -2.77 1.15 -0.57 3.52 4.81 -1.90 -1.48 114.58 117.34 2br2 h GLU 179 Ca -0.63 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 58.38 2br2 h GLU 179 Cb 1.34 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 2br2 h GLU 179 CO 0.50 0.99 0.32 1.15 -0.73 0.00 0.00 179.01 181.24 2br2 h THR 180 N 1.10 1.01 -0.19 0.32 2.02 -1.93 0.11 112.91 115.34 2br2 h THR 180 Ca 0.24 -0.22 -0.17 0.00 0.77 0.00 0.00 66.41 67.03 2br2 h THR 180 Cb 0.33 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2br2 h THR 180 CO -0.01 0.11 -0.59 -0.33 0.37 0.00 0.00 175.52 175.08 2br2 h GLU 181 N 0.63 0.62 0.14 6.66 5.08 -1.91 -1.14 114.58 124.65 2br2 h GLU 181 Ca 0.24 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2br2 h GLU 181 Cb 0.09 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2br2 h GLU 181 CO -0.13 1.03 -0.07 0.22 -1.00 0.00 0.00 179.01 179.05 2br2 h ASP 182 N 0.46 -0.17 -0.12 1.42 1.82 -1.01 0.16 116.42 118.98 2br2 h ASP 182 Ca 0.00 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.68 2br2 h ASP 182 Cb 1.15 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 41.18 2br2 h ASP 182 CO 0.11 -0.12 -0.06 0.24 -1.61 0.00 0.00 179.24 177.80 2br2 h MET 183 N -0.19 -0.06 0.00 0.28 2.86 -0.69 -3.35 114.93 113.78 2br2 h MET 183 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2br2 h MET 183 Cb 0.15 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2br2 h MET 183 CO 0.03 -0.04 -0.67 0.91 1.06 0.00 0.00 176.91 178.19 2br2 n TRP 184 N -5.20 0.00 -1.09 -0.22 7.02 -0.44 -5.01 117.44 112.50 2br2 n TRP 184 Ca -0.04 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.15 2br2 n TRP 184 Cb 0.12 -0.03 0.18 0.00 -2.42 0.00 0.00 31.31 29.17 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 -2.29 1.57 0.23 6.99 0.00 0.54 -4.98 107.32 109.39 2br2 s GLY 185 Ca 0.04 -0.28 0.17 0.00 0.00 0.00 0.00 44.72 44.64 2br2 s GLY 185 CO 0.51 0.33 1.28 0.83 0.00 0.00 0.00 173.10 176.04 2br2 h GLU 186 N -1.95 0.00 -2.76 2.90 3.07 -1.11 -3.48 114.58 111.25 2br2 h GLU 186 Ca -0.55 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.21 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 0.56 0.37 -0.14 0.00 -1.40 0.00 0.00 179.01 178.41 2br2 s ALA 187 N -3.00 -1.06 -0.07 3.43 0.00 -1.21 -0.97 121.76 118.89 2br2 s ALA 187 Ca 0.02 0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 2br2 s ALA 187 Cb 0.08 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.32 2br2 s ALA 187 CO 0.76 -0.31 0.10 0.34 0.00 0.00 0.00 175.76 176.65 2br2 s ASP 188 N -1.36 1.06 -0.47 0.00 2.15 0.36 -2.59 116.67 115.83 2br2 s ASP 188 Ca -0.12 0.13 0.03 0.00 0.43 0.00 0.00 52.55 53.02 2br2 s ASP 188 Cb -0.03 0.02 0.15 0.00 -0.30 0.00 0.00 42.92 42.75 2br2 s ASP 188 CO 0.05 -0.25 0.29 -0.32 -0.17 0.00 0.00 175.17 174.77 2br2 s MET 189 N 2.22 1.37 0.16 4.34 -2.45 0.16 -0.91 119.30 124.19 2br2 s MET 189 Ca 0.04 -2.19 -0.31 0.00 -1.25 0.00 0.00 55.69 51.98 2br2 s MET 189 Cb -0.12 -2.30 -0.09 0.00 1.25 0.00 0.00 34.83 33.57 2br2 s MET 189 CO -0.04 -1.22 1.41 -1.25 1.05 0.00 0.00 175.02 174.97 2br2 s PRO 190 N 0.07 4.31 -0.03 4.11 0.04 -1.02 -1.38 135.00 141.10 2br2 s PRO 190 Ca 0.21 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.42 2br2 s PRO 190 Cb -0.17 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.19 2br2 s PRO 190 CO -0.05 -0.43 -0.05 0.42 0.04 0.00 0.00 177.00 176.93 2br2 s ILE 191 N 0.74 0.51 -0.02 0.56 1.01 -0.17 -2.00 121.20 121.84 2br2 s ILE 191 Ca 0.63 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 61.15 2br2 s ILE 191 Cb -0.39 -0.51 -0.00 0.00 0.01 0.00 0.00 42.46 41.57 2br2 s ILE 191 CO 0.34 0.20 -0.11 0.00 0.00 0.00 0.00 174.94 175.37 2br2 s ALA 192 N 0.58 0.95 0.22 9.38 0.00 0.12 -1.31 121.76 131.69 2br2 s ALA 192 Ca -0.07 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.47 2br2 s ALA 192 Cb -0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2br2 s ALA 192 CO 0.00 0.20 -0.01 -1.64 0.00 0.00 0.00 175.76 174.31 2br2 s MET 193 N -0.10 1.29 -0.81 0.00 1.00 0.29 0.61 119.30 121.57 2br2 s MET 193 Ca 0.02 -1.64 -0.17 0.00 0.00 0.00 0.00 55.69 53.90 2br2 s MET 193 Cb -0.06 -0.58 0.16 0.00 0.00 0.00 0.00 34.83 34.36 2br2 s MET 193 CO -0.00 -0.08 0.88 -1.64 0.00 0.00 0.00 175.02 174.18 2br2 s MET 194 N -3.86 3.49 0.27 2.03 -1.94 0.20 -1.36 119.30 118.13 2br2 s MET 194 Ca 0.27 -1.98 -0.01 0.00 -1.71 0.00 0.00 55.69 52.25 2br2 s MET 194 Cb 0.05 -4.57 0.46 0.00 2.01 0.00 0.00 34.83 32.78 2br2 s MET 194 CO 0.07 -1.51 1.85 -1.35 -0.01 0.00 0.00 175.02 174.07 2br2 h PRO 195 N 8.45 0.99 0.00 2.03 0.11 -1.84 -0.92 132.00 140.82 2br2 h PRO 195 Ca 0.04 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2br2 h PRO 195 Cb 1.04 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 2br2 h PRO 195 CO 0.95 0.65 -0.12 0.77 -0.21 0.00 0.00 178.00 180.05 2br2 h SER 196 N 1.02 0.00 -0.01 -2.05 0.02 -1.93 -2.60 113.55 107.99 2br2 h SER 196 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2br2 h SER 196 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2br2 h SER 196 CO -0.23 0.12 -0.51 0.18 -1.14 0.00 0.00 176.83 175.25 2br2 n LEU 197 N -4.08 1.87 -3.37 5.07 4.77 -0.40 -4.97 117.00 115.90 2br2 n LEU 197 Ca -0.02 -0.73 -0.24 0.00 -0.03 0.00 0.00 56.01 54.98 2br2 n LEU 197 Cb 0.20 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2br2 n LEU 197 CO 0.33 0.36 0.01 0.59 -1.33 0.00 0.00 177.39 177.35 2br2 n ASN 198 N -0.18 -4.82 -4.47 -1.43 5.03 -0.87 -4.97 115.26 103.55 2br2 n ASN 198 Ca 0.08 -0.44 -0.35 0.00 0.87 0.00 0.00 54.58 54.74 2br2 n ASN 198 Cb 0.44 -3.91 -0.12 0.00 -1.02 0.00 0.00 39.78 35.17 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 -6.04 3.68 0.01 3.52 -1.52 -1.16 -5.00 119.66 113.14 2br2 s GLN 199 Ca 0.43 -0.48 -0.27 0.00 -1.95 0.00 0.00 55.36 53.09 2br2 s GLN 199 Cb -0.21 -3.20 -0.04 0.00 -0.22 0.00 0.00 33.01 29.34 2br2 s GLN 199 CO 0.53 -0.04 0.85 0.08 -0.25 0.00 0.00 175.29 176.46 2br2 s VAL 200 N 1.17 4.83 -0.16 1.09 1.01 -1.26 -0.63 120.40 126.44 2br2 s VAL 200 Ca 0.04 1.79 0.02 0.00 0.00 0.00 0.00 61.98 63.83 2br2 s VAL 200 Cb -0.14 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 2br2 s VAL 200 CO 0.02 0.26 -0.13 0.41 0.00 0.00 0.00 175.10 175.66 2br2 n THR 201 N 3.44 0.95 -4.00 3.92 -1.04 0.20 -4.95 114.28 112.80 2br2 n THR 201 Ca 0.01 -0.39 -0.17 0.00 -2.04 0.00 0.00 64.05 61.47 2br2 n THR 201 Cb 0.51 -1.04 -0.16 0.00 -1.82 0.00 0.00 70.33 67.82 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 -5.86 1.46 -0.22 -4.42 2.96 -1.02 -4.15 118.68 107.44 2br2 s LEU 202 Ca -0.21 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2br2 s LEU 202 Cb 0.06 -0.24 0.11 0.00 0.50 0.00 0.00 46.19 46.62 2br2 s LEU 202 CO 0.40 -0.05 0.30 0.12 -1.32 0.00 0.00 176.35 175.81 2br2 s PHE 203 N 0.64 -0.56 0.01 5.38 5.36 -1.26 -0.70 117.98 126.85 2br2 s PHE 203 Ca -0.07 0.61 0.01 0.00 -0.96 0.00 0.00 56.93 56.52 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 -0.01 -0.63 -0.03 -0.65 -1.46 0.00 0.00 175.22 172.44 2br2 s GLN 204 N 2.45 0.26 -0.07 10.12 -0.21 -0.85 -5.05 119.66 126.30 2br2 s GLN 204 Ca 0.09 -0.32 0.01 0.00 0.02 0.00 0.00 55.36 55.16 2br2 s GLN 204 Cb -0.15 -0.11 0.02 0.00 1.00 0.00 0.00 33.01 33.77 2br2 s GLN 204 CO -0.14 0.02 -0.07 -1.17 -2.12 0.00 0.00 175.29 171.81 2br2 s LEU 205 N -0.65 1.33 0.08 2.90 2.96 -1.26 -2.45 118.68 121.59 2br2 s LEU 205 Ca -0.05 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.71 2br2 s LEU 205 Cb -0.05 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.93 2br2 s LEU 205 CO -0.00 -0.05 -0.17 0.54 -1.32 0.00 0.00 176.35 175.34 2br2 s ASN 206 N 1.14 3.91 0.00 3.68 2.20 -0.09 -5.00 114.94 120.78 2br2 s ASN 206 Ca -0.07 -0.47 0.00 0.00 -0.94 0.00 0.00 52.86 51.39 2br2 s ASN 206 Cb -0.14 -0.62 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 1.18 0.74 3.44 0.45 0.00 -1.26 -0.48 105.19 109.25 2br2 n GLY 207 Ca -0.16 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.66 -0.03 1.61 0.15 -0.14 -4.95 113.70 105.69 2br2 s SER 208 Ca 0.00 1.15 -0.18 0.00 0.70 0.00 0.00 55.95 57.61 2br2 s SER 208 Cb 0.00 1.07 0.03 0.00 -1.71 0.00 0.00 66.02 65.42 2br2 s SER 208 CO 0.00 -0.21 0.39 -0.04 1.20 0.00 0.00 173.24 174.59 2br2 s MET 209 N 1.05 0.75 0.51 5.44 -1.94 -1.26 -4.39 119.30 119.46 2br2 s MET 209 Ca -0.06 -0.07 -0.18 0.00 -1.71 0.00 0.00 55.69 53.67 2br2 s MET 209 Cb -0.06 0.34 -0.08 0.00 2.01 0.00 0.00 34.83 37.05 2br2 s MET 209 CO -0.10 -0.21 1.00 0.95 -0.01 0.00 0.00 175.02 176.65 2br2 s THR 210 N -1.26 4.29 0.31 2.05 -4.23 -1.26 -4.85 115.64 110.69 2br2 s THR 210 Ca -0.13 1.18 0.08 0.00 -1.18 0.00 0.00 61.69 61.65 2br2 s THR 210 Cb -0.04 -3.60 0.31 0.00 1.34 0.00 0.00 72.50 70.50 2br2 s THR 210 CO 0.05 -0.54 1.74 -0.65 -0.54 0.00 0.00 174.62 174.68 2br2 h PRO 211 N 1.05 0.61 -0.22 3.99 0.11 -2.01 0.18 132.00 135.71 2br2 h PRO 211 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2br2 h PRO 211 Cb 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2br2 h PRO 211 CO 0.60 0.40 0.11 -0.44 -0.21 0.00 0.00 178.00 178.47 2br2 h ASP 212 N 0.63 0.28 -0.68 -2.05 3.32 -1.99 -0.40 116.42 115.52 2br2 h ASP 212 Ca 0.63 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.56 2br2 h ASP 212 Cb 1.13 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 2br2 h ASP 212 CO -0.45 0.31 0.41 -0.33 -1.72 0.00 0.00 179.24 177.45 2br2 h GLU 213 N 0.23 0.93 -0.42 3.56 5.08 -1.62 -0.40 114.58 121.94 2br2 h GLU 213 Ca 0.08 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2br2 h GLU 213 Cb 0.10 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 2br2 h GLU 213 CO -0.01 0.66 0.16 0.35 -1.00 0.00 0.00 179.01 179.17 2br2 h PHE 214 N 0.93 0.28 -0.66 4.33 3.57 -0.42 0.31 116.94 125.28 2br2 h PHE 214 Ca 0.24 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 2br2 h PHE 214 Cb -0.02 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 2br2 h PHE 214 CO -0.01 0.12 0.22 0.00 -2.23 0.00 0.00 178.31 176.40 2br2 h ARG 215 N 0.33 1.02 0.02 1.11 3.08 -0.64 -1.39 114.38 117.91 2br2 h ARG 215 Ca 0.19 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2br2 h ARG 215 Cb 0.16 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2br2 h ARG 215 CO -0.18 0.88 -0.01 1.96 -1.07 0.00 0.00 179.97 181.55 2br2 h GLN 216 N 0.95 -0.02 -0.69 0.04 4.20 -0.65 -2.01 115.11 116.94 2br2 h GLN 216 Ca 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2br2 h GLN 216 Cb 0.28 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2br2 h GLN 216 CO -0.01 -0.01 0.38 0.00 -0.67 0.00 0.00 178.83 178.52 2br2 h ALA 217 N 0.95 0.88 -0.42 3.87 0.00 -0.88 -1.69 119.26 121.98 2br2 h ALA 217 Ca -0.00 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2br2 h ALA 217 Cb 0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 2br2 h ALA 217 CO 0.00 0.39 0.10 0.35 0.00 0.00 0.00 179.25 180.09 2br2 h PHE 218 N 0.94 0.16 -0.80 0.00 3.57 -1.13 -0.03 116.94 119.65 2br2 h PHE 218 Ca 0.24 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.79 2br2 h PHE 218 Cb 0.03 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 2br2 h PHE 218 CO -0.01 0.03 0.52 -0.44 -2.23 0.00 0.00 178.31 176.18 2br2 h ASP 219 N 0.23 0.88 -0.52 0.41 3.32 -0.75 -2.44 116.42 117.55 2br2 h ASP 219 Ca 0.20 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 2br2 h ASP 219 Cb 0.24 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2br2 h ASP 219 CO -0.25 0.62 0.16 0.25 -1.72 0.00 0.00 179.24 178.29 2br2 h LEU 220 N 1.04 0.77 -0.95 1.55 5.85 -0.55 -2.80 115.31 120.21 2br2 h LEU 220 Ca 0.31 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.90 2br2 h LEU 220 Cb -0.04 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.72 2br2 h LEU 220 CO -0.09 0.78 0.60 0.00 -0.34 0.00 0.00 178.44 179.38 2br2 h ALA 221 N 1.02 1.33 -0.48 1.25 0.00 -0.69 -1.91 119.26 119.78 2br2 h ALA 221 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2br2 h ALA 221 Cb 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2br2 h ALA 221 CO -0.00 0.33 0.30 0.28 0.00 0.00 0.00 179.25 180.16 2br2 h VAL 222 N 1.05 1.14 -0.73 0.00 2.07 -1.19 0.22 116.25 118.81 2br2 h VAL 222 Ca 0.42 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 2br2 h VAL 222 Cb 0.24 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2br2 h VAL 222 CO -0.20 0.14 0.31 0.11 0.02 0.00 0.00 177.57 177.95 2br2 h LYS 223 N 0.64 1.07 0.11 1.57 1.57 -1.25 -0.44 116.57 119.84 2br2 h LYS 223 Ca 0.17 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2br2 h LYS 223 Cb -0.03 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.10 2br2 h LYS 223 CO -0.03 0.87 -0.05 0.78 -0.57 0.00 0.00 179.45 180.45 2br2 h GLY 224 N 1.03 -0.15 0.49 3.86 0.00 -0.94 -2.95 103.07 104.42 2br2 h GLY 224 Ca 0.24 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.73 2br2 h GLY 224 CO -0.02 -0.06 0.45 -2.22 0.00 0.00 0.00 176.54 174.69 2br2 h ILE 225 N -0.24 0.89 -0.38 2.60 2.04 -0.19 -1.77 117.51 120.46 2br2 h ILE 225 Ca -0.01 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 2br2 h ILE 225 Cb 0.19 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 2br2 h ILE 225 CO 0.02 0.14 0.08 0.78 0.00 0.00 0.00 178.15 179.17 2br2 h ASN 226 N 0.75 0.51 -0.15 1.72 2.35 -0.97 0.90 115.58 120.69 2br2 h ASN 226 Ca 0.40 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 56.02 2br2 h ASN 226 Cb 0.39 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 2br2 h ASN 226 CO -0.26 0.52 -0.13 0.40 -1.65 0.00 0.00 177.43 176.32 2br2 h ILE 227 N 0.55 1.34 -0.90 2.81 2.04 -1.18 -2.82 117.51 119.34 2br2 h ILE 227 Ca 0.13 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 64.77 2br2 h ILE 227 Cb 0.22 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 2br2 h ILE 227 CO -0.00 0.37 0.57 0.40 0.00 0.00 0.00 178.15 179.49 2br2 h ILE 228 N -0.02 1.11 -0.56 -0.67 2.04 -0.99 -2.80 117.51 115.62 2br2 h ILE 228 Ca 0.03 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2br2 h ILE 228 Cb 0.65 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2br2 h ILE 228 CO 0.03 0.20 0.36 0.22 0.00 0.00 0.00 178.15 178.96 2br2 h TYR 229 N 1.08 0.71 -0.27 1.37 3.20 -0.77 -0.44 116.97 121.86 2br2 h TYR 229 Ca 0.37 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 2br2 h TYR 229 Cb 0.08 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2br2 h TYR 229 CO -0.02 0.46 0.13 -0.91 -1.64 0.00 0.00 178.16 176.18 2br2 h ASN 230 N 0.76 0.33 0.06 -2.11 2.35 -1.24 -0.83 115.58 114.90 2br2 h ASN 230 Ca 0.20 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.74 2br2 h ASN 230 Cb -0.07 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.22 2br2 h ASN 230 CO -0.04 0.28 -0.73 -0.07 -1.65 0.00 0.00 177.43 175.22 2br2 h LEU 231 N 0.37 0.69 -0.38 1.61 3.38 -1.09 -2.37 115.31 117.52 2br2 h LEU 231 Ca 0.10 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 2br2 h LEU 231 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2br2 h LEU 231 CO -0.01 1.21 0.22 -0.33 0.09 0.00 0.00 178.44 179.61 2br2 h GLU 232 N 0.41 0.51 -0.89 1.13 5.08 -0.44 0.69 114.58 121.08 2br2 h GLU 232 Ca -0.03 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2br2 h GLU 232 Cb 1.32 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2br2 h GLU 232 CO 0.14 0.40 0.57 0.00 -1.00 0.00 0.00 179.01 179.12 2br2 h ARG 233 N 0.49 0.87 0.07 2.33 3.08 -1.07 -1.56 114.38 118.58 2br2 h ARG 233 Ca 0.13 -0.05 -0.27 0.00 0.07 0.00 0.00 59.98 59.86 2br2 h ARG 233 Cb 0.02 -0.20 0.03 0.00 0.08 0.00 0.00 29.97 29.90 2br2 h ARG 233 CO -0.02 0.57 -1.10 1.49 -1.07 0.00 0.00 179.97 179.84 2br2 h GLU 234 N 0.89 0.63 -0.19 0.04 4.81 -0.98 -2.93 114.58 116.85 2br2 h GLU 234 Ca 0.41 -0.77 0.06 0.00 -0.13 0.00 0.00 59.36 58.93 2br2 h GLU 234 Cb 0.39 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2br2 h GLU 234 CO -0.17 1.34 0.14 0.00 -0.73 0.00 0.00 179.01 179.58 2br2 h ALA 235 N 0.32 2.16 -0.50 2.92 0.00 -0.38 -0.05 119.26 123.72 2br2 h ALA 235 Ca -0.16 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2br2 h ALA 235 Cb 1.78 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2br2 h ALA 235 CO 0.21 -0.24 -0.16 1.25 0.00 0.00 0.00 179.25 180.32 2br2 h LEU 236 N 0.00 0.99 0.02 0.00 5.85 -1.11 0.98 115.31 122.04 2br2 h LEU 236 Ca 0.09 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2br2 h LEU 236 Cb 0.37 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2br2 h LEU 236 CO -0.00 1.13 -0.01 0.11 -0.34 0.00 0.00 178.44 179.33 2br2 h LYS 237 N 0.86 -0.02 -0.00 1.25 1.57 -1.18 -3.39 116.57 115.66 2br2 h LYS 237 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2br2 h LYS 237 Cb 0.72 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2br2 h LYS 237 CO 0.06 0.69 -0.63 -1.13 -0.57 0.00 0.00 179.45 177.86 2br2 n SER 238 N -4.69 0.71 0.00 0.86 3.41 -0.16 -4.96 113.62 108.79 2br2 n SER 238 Ca -0.08 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 2br2 n SER 238 Cb 0.35 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.42 0.00 -3.70 4.33 4.01 0.34 -4.92 118.16 116.81 2br2 n LYS 239 Ca 0.06 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.74 2br2 n LYS 239 Cb 0.34 -2.38 -0.12 0.00 -0.51 0.00 0.00 35.03 32.36 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 -2.21 -0.51 -0.03 2.13 5.04 -1.26 -1.40 117.35 119.11 2br2 s TYR 240 Ca 0.00 1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 55.73 2br2 s TYR 240 Cb 0.00 0.16 0.03 0.00 0.35 0.00 0.00 41.96 42.50 2br2 s TYR 240 CO 0.00 -0.32 0.06 0.08 -1.34 0.00 0.00 175.55 174.03 2br2 s VAL 241 N 1.63 -0.06 0.00 3.14 1.01 0.38 -4.83 120.40 121.67 2br2 s VAL 241 Ca -0.07 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.21 2br2 s VAL 241 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 2br2 s VAL 241 CO -0.11 0.09 -0.23 -1.61 0.00 0.00 0.00 175.10 173.24 2br2 s GLU 242 N 1.17 2.08 -0.16 2.72 2.02 -1.26 -0.67 118.70 124.60 2br2 s GLU 242 Ca -0.08 -0.95 -0.04 0.00 0.02 0.00 0.00 54.97 53.92 2br2 s GLU 242 Cb -0.13 -2.09 0.07 0.00 0.10 0.00 0.00 34.13 32.08 2br2 s GLU 242 CO -0.04 0.55 0.22 0.12 0.02 0.00 0.00 175.26 176.14 2br2 s PHE 243 N -0.72 -0.30 0.44 1.61 5.36 0.23 -5.00 117.98 119.59 2br2 s PHE 243 Ca 0.11 0.53 -0.23 0.00 -0.96 0.00 0.00 56.93 56.39 2br2 s PHE 243 Cb -0.10 -0.24 -0.08 0.00 -0.34 0.00 0.00 43.02 42.25 2br2 s PHE 243 CO 0.01 -0.46 1.07 -1.59 -1.46 0.00 0.00 175.22 172.79 2br2 s LYS 244 N 2.35 3.96 0.16 10.12 -2.85 -1.26 -0.85 119.74 131.37 2br2 s LYS 244 Ca 0.04 1.52 -0.31 0.00 -1.00 0.00 0.00 55.97 56.22 2br2 s LYS 244 Cb -0.14 -2.37 -0.17 0.00 -2.06 0.00 0.00 37.83 33.09 2br2 s LYS 244 CO -0.10 -0.32 0.74 0.39 0.10 0.00 0.00 175.35 176.17 2br2 n GLU 245 N -0.44 0.19 -3.62 1.78 1.02 -1.26 -4.83 120.64 113.48 2br2 n GLU 245 Ca 0.07 0.07 -0.05 0.00 -0.02 0.00 0.00 57.16 57.23 2br2 n GLU 245 Cb 0.50 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.65 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 0.85 0.31 3.49 -1.05 -1.23 -5.00 118.70 115.33 2br2 s GLU 246 Ca 0.71 -0.41 -0.29 0.00 -0.15 0.00 0.00 54.97 54.83 2br2 s GLU 246 Cb -0.99 0.33 -0.11 0.00 -0.44 0.00 0.00 34.13 32.93 2br2 s GLU 246 CO 0.56 -0.38 1.43 0.20 0.95 0.00 0.00 175.26 178.02 2br2 s GLY 247 N -2.69 2.66 0.00 -3.83 0.00 -1.26 -2.77 107.32 99.43 2br2 s GLY 247 Ca 0.09 1.40 0.20 0.00 0.00 0.00 0.00 44.72 46.42 2br2 s GLY 247 CO -0.04 2.20 1.56 -0.62 0.00 0.00 0.00 173.10 176.21