#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br2 n ARG 9 N 0.00 1.92 -1.81 5.31 0.63 -1.26 -5.01 116.66 116.44 2br2 n ARG 9 Ca 0.00 0.68 -0.31 0.00 -0.92 0.00 0.00 57.85 57.30 2br2 n ARG 9 Cb 0.00 -2.59 0.02 0.00 0.45 0.00 0.00 32.46 30.34 2br2 n ARG 9 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2br2 s PRO 10 N 4.40 3.46 0.19 -0.14 0.04 -1.26 -5.03 135.00 136.65 2br2 s PRO 10 Ca 0.96 0.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 2br2 s PRO 10 Cb -0.74 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 31.66 2br2 s PRO 10 CO 0.52 -0.68 1.28 0.21 0.04 0.00 0.00 177.00 178.37 2br2 s LYS 11 N -5.13 4.41 -0.18 4.56 2.20 -1.26 -4.96 119.74 119.38 2br2 s LYS 11 Ca 0.56 2.00 0.09 0.00 -0.36 0.00 0.00 55.97 58.26 2br2 s LYS 11 Cb -0.12 -3.21 -0.22 0.00 -1.51 0.00 0.00 37.83 32.77 2br2 s LYS 11 CO 0.54 -0.22 0.11 1.28 -0.36 0.00 0.00 175.35 176.70 2br2 n LEU 12 N 2.68 1.34 -4.33 5.43 4.77 -1.26 -4.83 117.00 120.81 2br2 n LEU 12 Ca 0.06 0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 2br2 n LEU 12 Cb 0.43 -0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 41.21 2br2 n LEU 12 CO 0.57 0.66 -0.45 -0.63 -1.33 0.00 0.00 177.39 176.21 2br2 s ILE 13 N -2.52 2.97 0.73 -0.08 1.09 -1.26 -3.78 121.20 118.34 2br2 s ILE 13 Ca -0.18 -0.67 -0.06 0.00 -1.10 0.00 0.00 60.65 58.63 2br2 s ILE 13 Cb 0.07 -2.26 0.09 0.00 -1.06 0.00 0.00 42.46 39.30 2br2 s ILE 13 CO 0.75 0.51 1.04 -0.76 -0.10 0.00 0.00 174.94 176.38 2br2 s LEU 14 N 0.67 2.87 0.24 2.97 1.43 -0.23 -4.92 118.68 121.71 2br2 s LEU 14 Ca -0.06 0.25 0.20 0.00 -1.03 0.00 0.00 54.13 53.48 2br2 s LEU 14 Cb -0.15 -2.77 0.94 0.00 0.03 0.00 0.00 46.19 44.24 2br2 s LEU 14 CO 0.02 -1.77 1.61 0.47 0.23 0.00 0.00 176.35 176.91 2br2 n ASP 15 N -2.98 0.51 0.01 2.29 9.92 -1.26 -0.60 116.55 124.44 2br2 n ASP 15 Ca 0.10 0.68 0.13 0.00 -0.53 0.00 0.00 54.79 55.17 2br2 n ASP 15 Cb 0.60 -0.77 0.43 0.00 -0.64 0.00 0.00 41.12 40.75 2br2 n ASP 15 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2br2 n ASP 16 N -2.12 0.28 0.00 -2.24 5.75 -1.26 -4.92 116.55 112.04 2br2 n ASP 16 Ca 0.01 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 2br2 n ASP 16 Cb 0.13 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 1.48 0.63 3.93 6.12 0.00 0.23 -5.06 105.19 112.52 2br2 n GLY 17 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 3.53 0.87 1.61 1.02 -1.26 -4.71 119.74 120.04 2br2 s LYS 18 Ca 0.00 -0.21 -0.13 0.00 0.02 0.00 0.00 55.97 55.65 2br2 s LYS 18 Cb 0.00 -2.66 0.14 0.00 -0.52 0.00 0.00 37.83 34.79 2br2 s LYS 18 CO 0.00 0.17 1.22 1.03 -0.92 0.00 0.00 175.35 176.85 2br2 s ARG 19 N -4.04 1.35 0.49 1.68 0.52 -0.06 -1.06 118.95 117.83 2br2 s ARG 19 Ca 0.41 -0.23 0.20 0.00 -0.52 0.00 0.00 55.73 55.59 2br2 s ARG 19 Cb -0.10 -1.94 1.26 0.00 0.52 0.00 0.00 34.95 34.68 2br2 s ARG 19 CO 0.34 -1.94 2.07 1.79 0.02 0.00 0.00 175.30 177.58 2br2 h THR 20 N -1.26 0.89 -0.32 0.02 1.35 -1.88 -0.94 112.91 110.78 2br2 h THR 20 Ca -0.45 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 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 0.51 0.12 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 2br2 n ASP 21 N -4.12 2.74 0.00 5.36 3.85 -1.26 -4.94 116.55 118.19 2br2 n ASP 21 Ca -0.02 -1.90 0.00 0.00 -0.71 0.00 0.00 54.79 52.16 2br2 n ASP 21 Cb 0.20 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 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 1.35 0.71 3.80 6.12 0.00 -0.36 -5.06 105.19 111.76 2br2 n GLY 22 Ca 0.18 0.00 -0.34 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 -0.71 3.84 0.66 1.61 0.52 -1.26 -4.63 118.95 118.97 2br2 s ARG 23 Ca 0.00 1.35 -0.12 0.00 -0.52 0.00 0.00 55.73 56.44 2br2 s ARG 23 Cb 0.00 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.35 2br2 s ARG 23 CO 0.00 -0.40 1.05 0.15 0.02 0.00 0.00 175.30 176.12 2br2 s LYS 24 N -3.22 3.17 0.54 3.54 1.02 -1.26 -0.88 119.74 122.65 2br2 s LYS 24 Ca 0.67 0.94 0.29 0.00 0.02 0.00 0.00 55.97 57.89 2br2 s LYS 24 Cb -0.16 -2.02 1.45 0.00 -0.52 0.00 0.00 37.83 36.58 2br2 s LYS 24 CO 0.19 -0.91 1.93 -1.35 -0.92 0.00 0.00 175.35 174.29 2br2 h PRO 25 N -0.42 0.00 -0.67 -1.68 0.11 -1.88 -2.17 132.00 125.29 2br2 h PRO 25 Ca -0.44 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.46 2br2 h PRO 25 Cb 1.21 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 2br2 h PRO 25 CO 0.58 0.00 0.24 -0.40 -0.21 0.00 0.00 178.00 178.21 2br2 n ASP 26 N -4.22 4.45 -4.46 -2.05 5.75 -1.26 -0.32 116.55 114.43 2br2 n ASP 26 Ca 0.14 -3.29 -0.33 0.00 -0.01 0.00 0.00 54.79 51.30 2br2 n ASP 26 Cb 0.79 -0.72 -0.13 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 -3.03 3.48 0.46 0.11 2.02 -0.82 -0.67 118.70 120.25 2br2 s GLU 27 Ca 0.53 -0.58 -0.21 0.00 0.02 0.00 0.00 54.97 54.73 2br2 s GLU 27 Cb 0.43 -2.78 -0.10 0.00 0.10 0.00 0.00 34.13 31.78 2br2 s GLU 27 CO 0.12 0.27 0.99 -0.51 0.02 0.00 0.00 175.26 176.15 2br2 s LEU 28 N 0.24 3.89 1.04 1.80 1.43 -1.13 -4.74 118.68 121.21 2br2 s LEU 28 Ca -0.05 1.79 -0.12 0.00 -1.03 0.00 0.00 54.13 54.71 2br2 s LEU 28 Cb -0.14 -4.55 0.21 0.00 0.03 0.00 0.00 46.19 41.74 2br2 s LEU 28 CO 0.04 -0.54 1.08 -0.13 0.23 0.00 0.00 176.35 177.02 2br2 s ARG 29 N -3.22 0.08 0.57 1.70 0.52 -1.26 -3.51 118.95 113.83 2br2 s ARG 29 Ca 0.64 0.62 -0.19 0.00 -0.52 0.00 0.00 55.73 56.28 2br2 s ARG 29 Cb -0.12 -1.69 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 2br2 s ARG 29 CO 0.16 -3.00 1.20 -1.54 0.02 0.00 0.00 175.30 172.15 2br2 s SER 30 N -3.20 5.34 -0.03 0.23 1.04 -1.26 -4.53 113.70 111.29 2br2 s SER 30 Ca 0.66 2.37 0.07 0.00 0.48 0.00 0.00 55.95 59.53 2br2 s SER 30 Cb -0.20 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.30 2br2 s SER 30 CO 0.59 -1.49 -0.24 -0.63 0.98 0.00 0.00 173.24 172.45 2br2 s ILE 31 N -1.60 1.90 -0.03 -1.02 1.01 0.06 -0.26 121.20 121.26 2br2 s ILE 31 Ca 0.76 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.40 2br2 s ILE 31 Cb -0.30 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.60 2br2 s ILE 31 CO 0.33 0.54 -0.02 -0.75 0.00 0.00 0.00 174.94 175.04 2br2 s LYS 32 N -0.39 0.48 -0.04 2.79 2.20 -0.44 -0.65 119.74 123.69 2br2 s LYS 32 Ca 0.04 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.67 2br2 s LYS 32 Cb -0.11 -0.60 0.02 0.00 -1.51 0.00 0.00 37.83 35.63 2br2 s LYS 32 CO 0.01 -0.11 -0.07 0.42 -0.36 0.00 0.00 175.35 175.24 2br2 s ILE 33 N 0.95 0.67 0.02 5.43 1.01 0.09 -0.17 121.20 129.21 2br2 s ILE 33 Ca -0.11 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2br2 s ILE 33 Cb -0.14 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2br2 s ILE 33 CO -0.01 0.25 -0.04 -1.83 0.00 0.00 0.00 174.94 173.31 2br2 s GLU 34 N 0.72 0.32 0.22 2.79 -1.05 -0.47 -0.39 118.70 120.83 2br2 s GLU 34 Ca -0.11 -0.55 0.09 0.00 -0.15 0.00 0.00 54.97 54.26 2br2 s GLU 34 Cb -0.14 -0.00 -0.04 0.00 -0.44 0.00 0.00 34.13 33.51 2br2 s GLU 34 CO 0.01 -0.02 -0.07 -0.51 0.95 0.00 0.00 175.26 175.62 2br2 s LEU 35 N -1.25 3.02 -1.05 1.83 1.02 -0.38 -0.19 118.68 121.67 2br2 s LEU 35 Ca -0.12 -0.64 -0.05 0.00 0.02 0.00 0.00 54.13 53.34 2br2 s LEU 35 Cb -0.08 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.50 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 -0.35 -0.16 0.13 -3.19 0.00 0.72 -4.90 105.19 97.45 2br2 n GLY 36 Ca -0.09 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.50 0.00 -3.38 1.61 3.04 -1.86 -3.44 116.25 110.71 2br2 h VAL 37 Ca -0.40 -0.86 -0.65 0.00 -1.01 0.00 0.00 66.70 63.79 2br2 h VAL 37 Cb 1.27 1.56 -0.24 0.00 -2.01 0.00 0.00 31.29 31.86 2br2 h VAL 37 CO 0.41 0.00 -0.69 -0.76 -1.01 0.00 0.00 177.57 175.52 2br2 s LEU 38 N -5.32 3.12 0.06 3.16 1.43 -1.26 -5.03 118.68 114.84 2br2 s LEU 38 Ca 0.04 -0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 52.72 2br2 s LEU 38 Cb 0.09 -1.77 -0.14 0.00 0.03 0.00 0.00 46.19 44.39 2br2 s LEU 38 CO 0.73 0.08 1.31 0.11 0.23 0.00 0.00 176.35 178.81 2br2 h LYS 39 N 7.33 0.52 -0.53 1.70 6.56 -2.01 -3.30 116.57 126.85 2br2 h LYS 39 Ca -0.35 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 58.91 2br2 h LYS 39 Cb 1.18 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 2br2 h LYS 39 CO 0.61 0.94 0.00 0.09 -2.06 0.00 0.00 179.45 179.03 2br2 n ASN 40 N -4.34 2.40 -4.69 0.86 3.02 -1.26 -4.85 115.26 106.40 2br2 n ASN 40 Ca -0.06 -2.18 -0.23 0.00 -0.03 0.00 0.00 54.58 52.08 2br2 n ASN 40 Cb 0.49 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.65 3.30 0.17 5.41 0.00 -1.24 -5.03 121.76 122.71 2br2 s ALA 41 Ca 0.24 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 50.64 2br2 s ALA 41 Cb 0.15 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 2br2 s ALA 41 CO 0.12 0.22 1.40 -0.44 0.00 0.00 0.00 175.76 177.06 2br2 h ASP 42 N 1.76 0.00 -5.00 0.00 3.32 -1.36 -3.46 116.42 111.68 2br2 h ASP 42 Ca -0.45 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.53 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 0.86 0.05 -0.83 -1.72 0.00 0.00 179.24 178.21 2br2 s GLY 43 N -4.62 -0.45 -0.08 2.75 0.00 -1.01 -3.89 107.32 100.01 2br2 s GLY 43 Ca 0.00 0.97 -0.27 0.00 0.00 0.00 0.00 44.72 45.42 2br2 s GLY 43 CO 0.80 0.66 0.62 -1.35 0.00 0.00 0.00 173.10 173.83 2br2 s SER 44 N -1.32 -0.60 -0.04 1.64 1.04 -1.25 -0.15 113.70 113.03 2br2 s SER 44 Ca -0.11 0.74 -0.12 0.00 0.48 0.00 0.00 55.95 56.94 2br2 s SER 44 Cb -0.01 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.77 2br2 s SER 44 CO 0.07 -0.52 0.27 0.00 0.98 0.00 0.00 173.24 174.04 2br2 s ALA 45 N -0.94 -0.67 -0.15 5.32 0.00 -0.67 -0.20 121.76 124.44 2br2 s ALA 45 Ca -0.09 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 2br2 s ALA 45 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2br2 s ALA 45 CO 0.08 -0.22 -0.06 0.42 0.00 0.00 0.00 175.76 175.98 2br2 s ILE 46 N -0.96 3.63 -0.08 0.00 1.01 0.73 -0.86 121.20 124.67 2br2 s ILE 46 Ca -0.10 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.14 2br2 s ILE 46 Cb -0.05 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.84 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 0.41 2.24 -0.12 3.97 5.36 -0.52 -1.37 117.98 127.94 2br2 s PHE 47 Ca -0.06 -0.86 0.02 0.00 -0.96 0.00 0.00 56.93 55.07 2br2 s PHE 47 Cb -0.15 -1.51 0.01 0.00 -0.34 0.00 0.00 43.02 41.03 2br2 s PHE 47 CO 0.04 -0.35 -0.16 -1.21 -1.46 0.00 0.00 175.22 172.07 2br2 s GLU 48 N 0.34 2.39 -0.29 10.12 2.02 0.76 -1.32 118.70 132.72 2br2 s GLU 48 Ca -0.15 -0.62 -0.01 0.00 0.02 0.00 0.00 54.97 54.21 2br2 s GLU 48 Cb -0.17 -2.03 0.05 0.00 0.10 0.00 0.00 34.13 32.08 2br2 s GLU 48 CO 0.07 -0.08 -0.03 -1.64 0.02 0.00 0.00 175.26 173.60 2br2 s MET 49 N 1.03 2.43 4.66 1.61 -1.94 0.22 -1.33 119.30 125.98 2br2 s MET 49 Ca -0.05 -1.25 0.00 0.00 -1.71 0.00 0.00 55.69 52.68 2br2 s MET 49 Cb -0.15 -3.10 0.00 0.00 2.01 0.00 0.00 34.83 33.59 2br2 s MET 49 CO -0.03 -0.59 0.00 0.41 -0.01 0.00 0.00 175.02 174.80 2br2 n GLY 50 N 4.59 3.28 0.75 -0.03 0.00 0.64 -0.69 105.19 113.73 2br2 n GLY 50 Ca -0.14 0.25 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 6.45 2.39 -4.66 1.61 3.02 -1.26 -4.84 115.26 117.97 2br2 n ASN 51 Ca 0.00 -1.77 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 2br2 n ASN 51 Cb 0.00 0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.16 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 -2.04 4.88 -0.05 3.41 2.01 0.13 -4.29 115.64 119.69 2br2 s THR 52 Ca 0.31 1.54 0.00 0.00 0.31 0.00 0.00 61.69 63.85 2br2 s THR 52 Cb 0.20 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.63 2br2 s THR 52 CO 0.33 -0.00 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.69 2br2 s LYS 53 N 2.41 0.80 0.08 4.92 1.02 -0.18 -0.61 119.74 128.18 2br2 s LYS 53 Ca 0.35 -0.06 0.06 0.00 0.02 0.00 0.00 55.97 56.35 2br2 s LYS 53 Cb -0.16 -0.90 -0.03 0.00 -0.52 0.00 0.00 37.83 36.22 2br2 s LYS 53 CO 0.10 -0.14 -0.16 0.00 -0.92 0.00 0.00 175.35 174.22 2br2 s ALA 54 N 1.21 1.38 -0.05 5.17 0.00 -0.44 0.30 121.76 129.33 2br2 s ALA 54 Ca -0.06 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.90 2br2 s ALA 54 Cb -0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2br2 s ALA 54 CO -0.02 0.24 -0.22 -1.50 0.00 0.00 0.00 175.76 174.26 2br2 s ILE 55 N -1.17 2.33 -0.01 0.00 2.07 -0.23 -1.44 121.20 122.74 2br2 s ILE 55 Ca 0.01 -0.98 0.06 0.00 -1.41 0.00 0.00 60.65 58.33 2br2 s ILE 55 Cb -0.10 -1.86 -0.01 0.00 0.13 0.00 0.00 42.46 40.62 2br2 s ILE 55 CO 0.03 0.57 -0.18 0.00 -1.91 0.00 0.00 174.94 173.45 2br2 s ALA 56 N -0.34 1.49 -0.02 1.50 0.00 -0.04 -0.79 121.76 123.56 2br2 s ALA 56 Ca 0.02 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.23 2br2 s ALA 56 Cb -0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2br2 s ALA 56 CO 0.02 0.36 -0.14 0.00 0.00 0.00 0.00 175.76 176.00 2br2 s ALA 57 N -0.46 1.24 -0.12 0.00 0.00 -0.02 -1.67 121.76 120.72 2br2 s ALA 57 Ca 0.07 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.46 2br2 s ALA 57 Cb -0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 2br2 s ALA 57 CO -0.00 0.26 -0.19 0.08 0.00 0.00 0.00 175.76 175.91 2br2 s VAL 58 N -0.12 2.50 -0.38 0.00 1.01 0.79 -0.82 120.40 123.38 2br2 s VAL 58 Ca 0.01 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 2br2 s VAL 58 Cb -0.08 -2.01 0.07 0.00 0.00 0.00 0.00 36.38 34.36 2br2 s VAL 58 CO 0.00 0.54 0.18 -0.31 0.00 0.00 0.00 175.10 175.51 2br2 s TYR 59 N 0.43 3.36 1.46 5.22 1.51 -0.17 -0.92 117.35 128.24 2br2 s TYR 59 Ca -0.14 -1.74 -0.24 0.00 -1.01 0.00 0.00 57.07 53.94 2br2 s TYR 59 Cb -0.17 -2.75 0.37 0.00 -0.11 0.00 0.00 41.96 39.31 2br2 s TYR 59 CO 0.06 -0.84 0.85 0.41 -1.11 0.00 0.00 175.55 174.92 2br2 n GLY 60 N 4.78 -3.87 3.68 0.71 0.00 -1.26 -2.62 105.19 106.61 2br2 n GLY 60 Ca -0.09 -1.66 -0.46 0.00 0.00 0.00 0.00 46.02 43.81 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 -5.60 2.29 -3.74 1.61 -0.02 -1.26 -4.68 135.00 123.60 2br2 n PRO 61 Ca 0.13 0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 62.31 2br2 n PRO 61 Cb 0.59 -2.64 -0.09 0.00 -0.02 0.00 0.00 33.50 31.33 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 2.04 0.61 0.29 -0.52 -2.85 -0.96 -4.95 119.74 113.40 2br2 s LYS 62 Ca 0.83 0.10 -0.28 0.00 -1.00 0.00 0.00 55.97 55.62 2br2 s LYS 62 Cb -0.64 0.28 -0.14 0.00 -2.06 0.00 0.00 37.83 35.27 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 1.84 1.31 -3.57 1.78 1.02 -1.26 -0.22 120.64 121.55 2br2 n GLU 63 Ca -0.18 0.46 -0.37 0.00 -0.02 0.00 0.00 57.16 57.05 2br2 n GLU 63 Cb 0.57 -1.83 -0.07 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.56 4.15 0.00 3.49 1.75 -1.20 -4.68 119.30 121.26 2br2 s MET 64 Ca 0.59 0.10 0.00 0.00 -1.25 0.00 0.00 55.69 55.13 2br2 s MET 64 Cb -0.70 -3.38 0.00 0.00 2.84 0.00 0.00 34.83 33.59 2br2 s MET 64 CO 0.60 0.33 0.75 -2.39 -0.65 0.00 0.00 175.02 173.66 2br2 n HIS 65 N 3.26 0.00 -3.24 4.11 1.44 -1.26 -3.89 115.22 115.63 2br2 n HIS 65 Ca -0.13 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.17 2br2 n HIS 65 Cb 0.52 -0.25 -0.08 0.00 0.12 0.00 0.00 29.99 30.31 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 -1.99 3.58 0.44 -1.40 0.05 -1.26 -4.97 135.00 129.44 2br2 s PRO 66 Ca 0.00 -0.21 0.14 0.00 0.05 0.00 0.00 61.00 60.98 2br2 s PRO 66 Cb 0.00 -3.82 1.04 0.00 0.05 0.00 0.00 34.50 31.76 2br2 s PRO 66 CO 0.00 -0.67 2.00 -0.09 0.05 0.00 0.00 177.00 178.29 2br2 h ARG 67 N 8.49 0.38 0.00 4.56 2.43 -1.99 -1.30 114.38 126.95 2br2 h ARG 67 Ca -0.28 -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 30.59 2br2 h ARG 67 CO 0.78 0.25 -0.00 1.12 -1.51 0.00 0.00 179.97 180.61 2br2 h HIS 68 N 0.39 0.00 -0.01 2.20 2.07 -1.93 -0.72 115.15 117.16 2br2 h HIS 68 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 2br2 h HIS 68 Cb 0.47 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 2br2 h HIS 68 CO -0.00 0.00 -0.21 1.28 -3.07 0.00 0.00 177.93 175.93 2br2 n LEU 69 N -3.09 0.77 -4.96 6.12 4.77 -0.49 -4.89 117.00 115.23 2br2 n LEU 69 Ca -0.03 -0.13 -0.25 0.00 -0.03 0.00 0.00 56.01 55.57 2br2 n LEU 69 Cb 0.10 -0.16 0.09 0.00 -2.33 0.00 0.00 43.42 41.12 2br2 n LEU 69 CO 0.21 0.15 0.59 -0.94 -1.33 0.00 0.00 177.39 176.07 2br2 s SER 70 N -2.53 4.48 0.05 -1.43 1.04 -0.28 -5.00 113.70 110.04 2br2 s SER 70 Ca 0.25 0.09 0.08 0.00 0.48 0.00 0.00 55.95 56.85 2br2 s SER 70 Cb 0.19 -0.59 -0.03 0.00 0.10 0.00 0.00 66.02 65.69 2br2 s SER 70 CO 0.51 -1.78 -0.24 -0.76 0.98 0.00 0.00 173.24 171.95 2br2 s LEU 71 N -5.23 2.17 0.45 2.42 1.43 -1.26 -5.01 118.68 113.64 2br2 s LEU 71 Ca 0.64 -0.56 0.26 0.00 -1.03 0.00 0.00 54.13 53.44 2br2 s LEU 71 Cb -0.08 -1.13 0.70 0.00 0.03 0.00 0.00 46.19 45.71 2br2 s LEU 71 CO 0.45 0.21 1.74 1.55 0.23 0.00 0.00 176.35 180.52 2br2 h PRO 72 N 4.79 0.00 0.00 1.29 0.13 -1.97 -0.73 132.00 135.51 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 0.43 0.00 -0.71 -0.40 -0.23 0.00 0.00 178.00 177.10 2br2 n ASP 73 N -3.00 1.68 -4.03 1.44 5.75 -1.26 -4.59 116.55 112.53 2br2 n ASP 73 Ca 0.03 -0.37 -0.09 0.00 -0.01 0.00 0.00 54.79 54.35 2br2 n ASP 73 Cb 0.45 1.12 -0.09 0.00 -1.03 0.00 0.00 41.12 41.57 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 -1.94 0.86 0.35 0.11 0.52 -1.26 -4.41 118.95 113.19 2br2 s ARG 74 Ca 0.00 -1.22 -0.15 0.00 -0.52 0.00 0.00 55.73 53.84 2br2 s ARG 74 Cb 0.04 0.28 -0.09 0.00 0.52 0.00 0.00 34.95 35.71 2br2 s ARG 74 CO 0.25 -0.25 0.77 0.00 0.02 0.00 0.00 175.30 176.09 2br2 s ALA 75 N -3.96 3.29 -0.20 2.13 0.00 -0.20 -2.84 121.76 119.99 2br2 s ALA 75 Ca 0.14 0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.98 2br2 s ALA 75 Cb 0.06 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2br2 s ALA 75 CO -0.05 0.24 0.35 0.08 0.00 0.00 0.00 175.76 176.38 2br2 s VAL 76 N -2.09 5.24 -0.06 0.00 1.01 0.08 -4.93 120.40 119.65 2br2 s VAL 76 Ca 0.54 0.61 -0.22 0.00 0.00 0.00 0.00 61.98 62.91 2br2 s VAL 76 Cb -0.10 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2br2 s VAL 76 CO 0.20 0.29 0.66 -0.76 0.00 0.00 0.00 175.10 175.49 2br2 s LEU 77 N 1.13 4.33 -0.21 3.92 1.43 -1.26 -0.89 118.68 127.13 2br2 s LEU 77 Ca 0.17 1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 54.41 2br2 s LEU 77 Cb -0.14 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.07 2br2 s LEU 77 CO 0.07 -0.07 -0.12 -0.13 0.23 0.00 0.00 176.35 176.33 2br2 s ARG 78 N 0.60 3.08 -0.03 1.70 0.52 -0.18 -4.95 118.95 119.69 2br2 s ARG 78 Ca 0.35 -0.80 0.06 0.00 -0.52 0.00 0.00 55.73 54.82 2br2 s ARG 78 Cb -0.18 -2.80 -0.01 0.00 0.52 0.00 0.00 34.95 32.49 2br2 s ARG 78 CO 0.17 -0.25 -0.21 0.08 0.02 0.00 0.00 175.30 175.12 2br2 s VAL 79 N 1.35 1.66 -0.16 3.52 1.01 -1.26 -0.09 120.40 126.44 2br2 s VAL 79 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2br2 s VAL 79 Cb -0.14 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.87 2br2 s VAL 79 CO -0.08 0.47 -0.11 -0.60 0.00 0.00 0.00 175.10 174.78 2br2 s ARG 80 N -0.30 2.00 -0.25 2.72 3.52 -0.56 -4.92 118.95 121.15 2br2 s ARG 80 Ca 0.03 -0.59 -0.09 0.00 -0.13 0.00 0.00 55.73 54.94 2br2 s ARG 80 Cb -0.10 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 2br2 s ARG 80 CO 0.01 -0.32 0.13 -0.47 -0.81 0.00 0.00 175.30 173.84 2br2 s TYR 81 N 1.51 3.19 -0.06 5.12 5.04 -1.26 -0.99 117.35 129.90 2br2 s TYR 81 Ca 0.03 -0.05 -0.06 0.00 -2.44 0.00 0.00 57.07 54.55 2br2 s TYR 81 Cb -0.14 -2.28 0.02 0.00 0.35 0.00 0.00 41.96 39.90 2br2 s TYR 81 CO -0.09 -0.16 0.17 -1.58 -1.34 0.00 0.00 175.55 172.54 2br2 s HIS 82 N 1.46 -0.18 -0.20 4.97 2.46 -0.94 -4.83 115.29 118.04 2br2 s HIS 82 Ca 0.06 0.45 -0.07 0.00 0.47 0.00 0.00 55.06 55.97 2br2 s HIS 82 Cb -0.15 0.06 -0.04 0.00 -0.13 0.00 0.00 32.58 32.32 2br2 s HIS 82 CO 0.06 -0.09 0.06 -1.64 -2.47 0.00 0.00 174.74 170.67 2br2 s MET 83 N 0.10 3.88 0.49 2.88 1.00 -1.26 -0.03 119.30 126.37 2br2 s MET 83 Ca -0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 55.69 55.08 2br2 s MET 83 Cb -0.01 -3.23 -0.07 0.00 0.00 0.00 0.00 34.83 31.52 2br2 s MET 83 CO 0.00 0.15 1.19 0.95 0.00 0.00 0.00 175.02 177.31 2br2 s THR 84 N 0.70 2.94 0.63 2.05 -4.23 -0.76 -4.83 115.64 112.15 2br2 s THR 84 Ca 0.03 0.68 0.34 0.00 -1.18 0.00 0.00 61.69 61.56 2br2 s THR 84 Cb -0.13 -3.33 0.37 0.00 1.34 0.00 0.00 72.50 70.75 2br2 s THR 84 CO 0.02 -0.04 2.15 -0.65 -0.54 0.00 0.00 174.62 175.56 2br2 h PRO 85 N 1.77 0.00 -0.47 3.99 0.11 -1.91 -1.65 132.00 133.84 2br2 h PRO 85 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2br2 h PRO 85 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2br2 h PRO 85 CO 0.59 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.35 2br2 n PHE 86 N -3.38 1.57 0.51 0.65 1.16 -1.26 -2.16 117.46 114.55 2br2 n PHE 86 Ca -0.01 -0.76 0.12 0.00 -1.87 0.00 0.00 57.45 54.94 2br2 n PHE 86 Cb 0.25 -0.40 0.26 0.00 -1.61 0.00 0.00 39.48 37.98 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 3.19 0.00 -2.04 5.98 4.64 -1.43 -3.46 113.55 120.43 2br2 h SER 87 Ca 0.00 -0.08 -0.59 0.00 -0.47 0.00 0.00 61.79 60.66 2br2 h SER 87 Cb 1.70 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.66 2br2 h SER 87 CO 0.36 0.04 -0.56 0.42 -0.87 0.00 0.00 176.83 176.22 2br2 s THR 88 N -3.16 1.23 0.13 2.95 -4.23 -1.26 -0.48 115.64 110.82 2br2 s THR 88 Ca 0.08 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 2br2 s THR 88 Cb 0.11 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 2br2 s THR 88 CO 0.67 0.00 1.56 0.44 -0.54 0.00 0.00 174.62 176.75 2br2 h ASP 89 N 1.74 0.79 -2.94 3.99 3.32 -1.91 -3.41 116.42 117.99 2br2 h ASP 89 Ca -0.41 -0.34 -0.63 0.00 0.02 0.00 0.00 57.03 55.67 2br2 h ASP 89 Cb 1.27 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.53 2br2 h ASP 89 CO 0.70 0.94 -0.36 -1.61 -1.72 0.00 0.00 179.24 177.19 2br2 s GLU 90 N -4.89 3.82 0.10 3.56 2.02 -1.26 -5.04 118.70 117.01 2br2 s GLU 90 Ca -0.12 0.08 -0.31 0.00 0.02 0.00 0.00 54.97 54.63 2br2 s GLU 90 Cb 0.11 -3.27 -0.11 0.00 0.10 0.00 0.00 34.13 30.96 2br2 s GLU 90 CO 0.82 0.60 1.86 -2.13 0.02 0.00 0.00 175.26 176.42 2br2 n ARG 91 N 2.40 2.78 -2.78 1.61 0.63 -1.26 -4.92 116.66 115.11 2br2 n ARG 91 Ca -0.16 1.01 -0.40 0.00 -0.92 0.00 0.00 57.85 57.38 2br2 n ARG 91 Cb 0.53 -2.91 -0.05 0.00 0.45 0.00 0.00 32.46 30.48 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 3.01 4.76 0.10 -0.14 1.02 -0.92 -5.03 119.74 122.54 2br2 s LYS 92 Ca 0.83 1.42 -0.31 0.00 0.02 0.00 0.00 55.97 57.94 2br2 s LYS 92 Cb -0.48 -3.31 -0.09 0.00 -0.52 0.00 0.00 37.83 33.42 2br2 s LYS 92 CO 0.39 0.42 1.66 1.21 -0.92 0.00 0.00 175.35 178.11 2br2 s ASN 93 N -0.75 6.56 0.56 2.83 3.84 -1.26 -4.30 114.94 122.42 2br2 s ASN 93 Ca 0.42 2.57 0.32 0.00 0.21 0.00 0.00 52.86 56.38 2br2 s ASN 93 Cb -0.25 -2.57 1.66 0.00 -0.55 0.00 0.00 41.25 39.54 2br2 s ASN 93 CO 0.30 -0.89 2.13 1.55 -2.79 0.00 0.00 177.10 177.40 2br2 h PRO 94 N 8.00 0.00 -6.74 0.43 0.13 -1.96 -3.43 132.00 128.43 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 32.43 2br2 h PRO 94 CO 0.93 0.07 0.67 0.00 -0.23 0.00 0.00 178.00 179.44 2br2 n ALA 95 N -2.22 1.73 -2.00 -0.56 0.00 -1.26 -4.88 120.51 111.31 2br2 n ALA 95 Ca -0.02 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 2br2 n ALA 95 Cb 0.20 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 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 -1.17 4.33 0.50 0.00 0.02 -1.26 -5.00 135.00 132.42 2br2 s PRO 96 Ca 0.61 2.14 -0.03 0.00 0.02 0.00 0.00 61.00 63.74 2br2 s PRO 96 Cb -0.56 -3.18 -0.01 0.00 0.02 0.00 0.00 34.50 30.78 2br2 s PRO 96 CO 0.56 -0.36 0.76 -1.54 -0.33 0.00 0.00 177.00 176.09 2br2 s SER 97 N 0.55 5.84 0.30 2.53 1.04 -1.26 -4.92 113.70 117.79 2br2 s SER 97 Ca 0.60 0.55 0.03 0.00 0.48 0.00 0.00 55.95 57.60 2br2 s SER 97 Cb -0.38 -1.74 0.60 0.00 0.10 0.00 0.00 66.02 64.60 2br2 s SER 97 CO 0.37 -0.79 1.85 0.03 0.98 0.00 0.00 173.24 175.68 2br2 h ARG 98 N 0.19 0.92 -0.49 4.02 3.08 -1.99 0.21 114.38 120.32 2br2 h ARG 98 Ca -0.46 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 59.56 2br2 h ARG 98 Cb 1.24 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 2br2 h ARG 98 CO 0.59 0.61 0.28 -0.09 -1.07 0.00 0.00 179.97 180.30 2br2 h ARG 99 N 0.95 0.55 -0.40 0.04 2.43 -1.99 -0.79 114.38 115.16 2br2 h ARG 99 Ca 0.48 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.53 2br2 h ARG 99 Cb 0.51 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2br2 h ARG 99 CO -0.25 0.36 -0.11 0.93 -1.51 0.00 0.00 179.97 179.39 2br2 h GLU 100 N 0.56 0.71 -0.19 0.20 5.08 -1.49 -0.66 114.58 118.81 2br2 h GLU 100 Ca 0.20 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2br2 h GLU 100 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2br2 h GLU 100 CO -0.10 0.81 0.04 0.82 -1.00 0.00 0.00 179.01 179.57 2br2 h ILE 101 N 0.65 1.21 0.17 3.13 2.04 -0.73 -1.18 117.51 122.80 2br2 h ILE 101 Ca 0.11 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 2br2 h ILE 101 Cb 0.57 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2br2 h ILE 101 CO 0.04 0.21 -0.08 -0.08 0.00 0.00 0.00 178.15 178.23 2br2 h GLU 102 N 0.11 -0.22 -0.18 2.37 4.81 -1.02 -2.88 114.58 117.56 2br2 h GLU 102 Ca 0.06 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2br2 h GLU 102 Cb 0.28 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2br2 h GLU 102 CO 0.00 -0.13 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.04 2br2 h LEU 103 N -0.23 0.24 -0.62 1.64 3.38 -1.08 -0.78 115.31 117.85 2br2 h LEU 103 Ca -0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2br2 h LEU 103 Cb 0.18 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2br2 h LEU 103 CO 0.04 0.32 0.28 0.28 0.09 0.00 0.00 178.44 179.45 2br2 h SER 104 N 0.26 0.84 0.03 -0.43 0.02 -1.13 0.88 113.55 114.01 2br2 h SER 104 Ca 0.06 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2br2 h SER 104 Cb 0.24 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2br2 h SER 104 CO 0.01 0.76 -0.01 0.50 -1.14 0.00 0.00 176.83 176.94 2br2 h LYS 105 N 0.86 -0.04 -0.69 3.45 3.64 -1.05 -0.13 116.57 122.63 2br2 h LYS 105 Ca 0.21 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 2br2 h LYS 105 Cb 0.16 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 2br2 h LYS 105 CO -0.02 0.24 0.40 0.28 -2.27 0.00 0.00 179.45 178.08 2br2 h VAL 106 N -0.31 1.01 -0.30 2.00 2.07 -0.99 -0.51 116.25 119.21 2br2 h VAL 106 Ca -0.00 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 2br2 h VAL 106 Cb 0.29 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2br2 h VAL 106 CO 0.01 0.14 -0.05 0.40 0.02 0.00 0.00 177.57 178.09 2br2 h ILE 107 N 0.75 1.27 -0.40 4.57 2.04 -0.80 -2.20 117.51 122.74 2br2 h ILE 107 Ca 0.30 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 65.17 2br2 h ILE 107 Cb 0.14 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 2br2 h ILE 107 CO -0.16 0.34 0.05 -0.09 0.00 0.00 0.00 178.15 178.28 2br2 h ARG 108 N 0.34 0.16 -0.45 2.37 2.43 -0.55 -1.62 114.38 117.05 2br2 h ARG 108 Ca 0.08 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2br2 h ARG 108 Cb 0.52 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2br2 h ARG 108 CO 0.02 0.10 0.10 0.93 -1.51 0.00 0.00 179.97 179.62 2br2 h GLU 109 N 0.16 0.69 -0.34 0.20 5.08 -1.03 0.09 114.58 119.43 2br2 h GLU 109 Ca 0.19 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2br2 h GLU 109 Cb 0.25 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2br2 h GLU 109 CO -0.28 0.63 0.22 0.00 -1.00 0.00 0.00 179.01 178.58 2br2 h ALA 110 N 1.45 0.43 -0.22 3.43 0.00 -0.81 -2.69 119.26 120.85 2br2 h ALA 110 Ca 0.15 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2br2 h ALA 110 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2br2 h ALA 110 CO -0.00 -0.10 -0.36 -0.07 0.00 0.00 0.00 179.25 178.72 2br2 h LEU 111 N 0.45 0.51 -1.75 0.00 3.38 -0.40 -2.66 115.31 114.83 2br2 h LEU 111 Ca 0.12 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2br2 h LEU 111 Cb -0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2br2 h LEU 111 CO -0.03 0.83 -0.16 -0.33 0.09 0.00 0.00 178.44 178.84 2br2 h GLU 112 N 0.41 0.00 0.00 1.13 5.08 -0.73 0.17 114.58 120.64 2br2 h GLU 112 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2br2 h GLU 112 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2br2 h GLU 112 CO 0.07 0.16 0.00 0.66 -1.00 0.00 0.00 179.01 178.90 2br2 h SER 113 N 0.00 0.00 0.00 1.42 4.64 -1.15 -3.34 113.55 115.11 2br2 h SER 113 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 2br2 h SER 113 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 2br2 h SER 113 CO 0.02 0.00 -2.05 0.00 -0.87 0.00 0.00 176.83 173.93 2br2 n ALA 114 N -1.84 1.62 -2.44 5.18 0.00 -0.37 -4.85 120.51 117.82 2br2 n ALA 114 Ca 0.04 -0.78 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 2br2 n ALA 114 Cb 0.35 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.36 4.25 -1.33 0.00 1.01 0.45 -0.01 120.40 122.39 2br2 s VAL 115 Ca -0.25 1.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.24 2br2 s VAL 115 Cb 0.07 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.39 2br2 s VAL 115 CO 0.41 0.16 2.14 0.18 0.00 0.00 0.00 175.10 177.99 2br2 n LEU 116 N 3.65 6.25 0.28 3.92 4.77 -0.75 -4.74 117.00 130.38 2br2 n LEU 116 Ca 0.07 -3.91 0.14 0.00 -0.03 0.00 0.00 56.01 52.28 2br2 n LEU 116 Cb 0.48 -1.58 0.81 0.00 -2.33 0.00 0.00 43.42 40.80 2br2 n LEU 116 CO 0.54 0.77 1.04 -0.37 -1.33 0.00 0.00 177.39 178.04 2br2 h VAL 117 N 4.21 0.52 0.00 4.08 -1.51 -1.89 -2.59 116.25 119.06 2br2 h VAL 117 Ca 0.53 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.67 2br2 h VAL 117 Cb 0.66 1.21 -0.00 0.00 -2.13 0.00 0.00 31.29 31.04 2br2 h VAL 117 CO 1.86 0.07 -0.05 -0.33 -1.23 0.00 0.00 177.57 177.90 2br2 h GLU 118 N 0.00 0.00 0.00 5.19 3.07 -1.85 -0.30 114.58 120.68 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 0.21 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2br2 h GLU 118 CO 0.01 0.05 -0.06 -0.07 -1.40 0.00 0.00 179.01 177.54 2br2 h LEU 119 N 0.00 0.00 -6.06 1.33 4.07 -1.73 -3.37 115.31 109.55 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 0.13 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.47 2br2 h LEU 119 CO 0.01 0.06 -0.80 0.49 -1.08 0.00 0.00 178.44 177.12 2br2 n PHE 120 N -3.47 2.17 -1.62 1.13 3.01 -0.77 -5.05 117.46 112.86 2br2 n PHE 120 Ca -0.02 -3.93 -0.35 0.00 1.01 0.00 0.00 57.45 54.16 2br2 n PHE 120 Cb 0.18 -0.48 0.08 0.00 -0.01 0.00 0.00 39.48 39.25 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 -2.10 2.40 -1.06 -1.08 0.02 -1.26 -2.44 135.00 129.49 2br2 s PRO 121 Ca 0.39 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.26 2br2 s PRO 121 Cb 0.17 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.84 2br2 s PRO 121 CO -0.06 -1.66 0.00 0.54 -0.33 0.00 0.00 177.00 175.50 2br2 n ARG 122 N -2.29 -1.52 -4.33 5.54 5.12 -0.28 -4.86 116.66 114.04 2br2 n ARG 122 Ca 0.14 0.82 -0.24 0.00 -1.93 0.00 0.00 57.85 56.64 2br2 n ARG 122 Cb 0.50 -5.13 -0.08 0.00 -1.16 0.00 0.00 32.46 26.58 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 -1.96 2.78 -0.00 0.55 -4.23 -1.17 -3.23 115.64 108.37 2br2 s THR 123 Ca 0.00 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.59 2br2 s THR 123 Cb 0.00 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 2br2 s THR 123 CO 0.00 -0.25 -0.21 0.00 -0.54 0.00 0.00 174.62 173.62 2br2 s ALA 124 N -2.48 2.41 -0.24 3.99 0.00 0.70 -0.74 121.76 125.40 2br2 s ALA 124 Ca 0.34 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 2br2 s ALA 124 Cb -0.02 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2br2 s ALA 124 CO 0.19 0.55 -0.05 0.42 0.00 0.00 0.00 175.76 176.86 2br2 s ILE 125 N -0.75 3.05 -0.23 0.00 1.01 -0.07 -2.27 121.20 121.93 2br2 s ILE 125 Ca 0.12 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 2br2 s ILE 125 Cb -0.10 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2br2 s ILE 125 CO 0.01 0.28 0.29 -1.81 0.00 0.00 0.00 174.94 173.71 2br2 s ASP 126 N 1.38 6.26 -0.26 3.58 1.01 -1.08 -1.01 116.67 126.56 2br2 s ASP 126 Ca 0.02 0.29 0.00 0.00 0.71 0.00 0.00 52.55 53.58 2br2 s ASP 126 Cb -0.16 -2.17 0.04 0.00 1.01 0.00 0.00 42.92 41.64 2br2 s ASP 126 CO -0.04 -0.04 -0.08 -0.69 0.21 0.00 0.00 175.17 174.53 2br2 s VAL 127 N 1.37 2.56 -0.15 -1.27 1.01 0.87 -0.99 120.40 123.79 2br2 s VAL 127 Ca 0.13 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 2br2 s VAL 127 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2br2 s VAL 127 CO 0.07 0.09 -0.07 -0.36 0.00 0.00 0.00 175.10 174.83 2br2 s PHE 128 N 1.23 2.94 -0.06 5.22 0.40 -0.00 -1.49 117.98 126.21 2br2 s PHE 128 Ca -0.04 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 2br2 s PHE 128 Cb -0.18 -1.92 0.00 0.00 0.51 0.00 0.00 43.02 41.43 2br2 s PHE 128 CO -0.05 -0.12 -0.17 0.99 0.70 0.00 0.00 175.22 176.58 2br2 s THR 129 N 0.39 1.45 -0.09 0.64 2.01 -0.16 -0.84 115.64 119.05 2br2 s THR 129 Ca -0.06 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.25 2br2 s THR 129 Cb -0.15 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.11 2br2 s THR 129 CO 0.04 0.42 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.71 2br2 s GLU 130 N 0.34 1.29 -0.34 4.92 0.41 0.03 -2.21 118.70 123.14 2br2 s GLU 130 Ca -0.11 -0.20 -0.26 0.00 -0.41 0.00 0.00 54.97 53.99 2br2 s GLU 130 Cb -0.14 -1.33 0.01 0.00 -1.78 0.00 0.00 34.13 30.89 2br2 s GLU 130 CO 0.04 -0.19 0.93 0.42 -0.49 0.00 0.00 175.26 175.97 2br2 s ILE 131 N 1.43 4.62 -0.05 -1.63 1.09 0.96 -1.07 121.20 126.55 2br2 s ILE 131 Ca -0.01 1.33 0.01 0.00 -1.10 0.00 0.00 60.65 60.88 2br2 s ILE 131 Cb -0.13 -4.30 -0.26 0.00 -1.06 0.00 0.00 42.46 36.71 2br2 s ILE 131 CO -0.04 -0.44 0.64 -0.07 -0.10 0.00 0.00 174.94 174.93 2br2 h LEU 132 N 9.90 0.27 -7.66 2.97 3.38 -0.48 -2.01 115.31 121.68 2br2 h LEU 132 Ca -0.23 -0.51 -0.22 0.00 0.09 0.00 0.00 57.88 57.01 2br2 h LEU 132 Cb 1.08 -0.09 -0.28 0.00 0.09 0.00 0.00 40.66 41.46 2br2 h LEU 132 CO 0.97 1.44 -0.66 -1.10 0.09 0.00 0.00 178.44 179.18 2br2 s GLN 133 N -2.59 0.06 -0.14 1.13 -0.21 -1.13 -4.02 119.66 112.76 2br2 s GLN 133 Ca -0.12 0.09 -0.01 0.00 0.02 0.00 0.00 55.36 55.34 2br2 s GLN 133 Cb 0.07 0.01 -0.02 0.00 1.00 0.00 0.00 33.01 34.07 2br2 s GLN 133 CO 0.82 -0.02 -0.10 0.00 -2.12 0.00 0.00 175.29 173.87 2br2 s ALA 134 N 0.13 2.76 -0.35 6.09 0.00 0.37 -1.01 121.76 129.76 2br2 s ALA 134 Ca -0.01 -0.86 0.15 0.00 0.00 0.00 0.00 51.96 51.24 2br2 s ALA 134 Cb -0.01 -1.33 0.44 0.00 0.00 0.00 0.00 23.12 22.21 2br2 s ALA 134 CO -0.00 0.24 1.07 -3.47 0.00 0.00 0.00 175.76 173.61 2br2 n ASP 135 N 3.50 0.41 -0.99 0.00 2.03 -1.26 -4.78 116.55 115.46 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 0.53 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 -0.22 -1.47 -0.84 -1.67 0.00 -1.26 -3.41 120.51 111.63 2br2 n ALA 136 Ca 0.05 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2br2 n ALA 136 Cb 0.83 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.98 0.54 0.27 0.00 0.00 -1.26 -4.77 105.19 97.99 2br2 n GLY 137 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 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 0.68 -0.51 1.61 0.02 -1.95 -1.62 113.55 111.78 2br2 h SER 138 Ca 0.00 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2br2 h SER 138 Cb 0.00 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 2br2 h SER 138 CO 0.00 0.46 0.34 0.08 -1.14 0.00 0.00 176.83 176.57 2br2 h ARG 139 N 0.82 0.66 0.10 3.45 0.11 -1.99 0.17 114.38 117.70 2br2 h ARG 139 Ca 0.30 -0.04 -0.22 0.00 0.10 0.00 0.00 59.98 60.11 2br2 h ARG 139 Cb 0.09 -0.15 0.02 0.00 1.11 0.00 0.00 29.97 31.04 2br2 h ARG 139 CO -0.14 0.43 -0.93 -0.07 0.10 0.00 0.00 179.97 179.37 2br2 h LEU 140 N 0.67 0.65 -0.73 0.08 3.38 -1.73 -1.88 115.31 115.76 2br2 h LEU 140 Ca 0.19 -0.85 0.02 0.00 0.09 0.00 0.00 57.88 57.33 2br2 h LEU 140 Cb -0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2br2 h LEU 140 CO -0.04 1.44 0.47 0.58 0.09 0.00 0.00 178.44 180.98 2br2 h VAL 141 N -0.04 1.16 -0.38 1.22 2.07 -0.99 0.55 116.25 119.84 2br2 h VAL 141 Ca -0.14 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2br2 h VAL 141 Cb 1.66 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2br2 h VAL 141 CO 0.18 0.17 0.23 -1.28 0.02 0.00 0.00 177.57 176.89 2br2 h SER 142 N 0.95 0.45 -0.44 0.57 0.87 -0.71 0.02 113.55 115.27 2br2 h SER 142 Ca 0.28 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2br2 h SER 142 Cb -0.07 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 2br2 h SER 142 CO -0.08 0.37 0.22 0.25 -0.53 0.00 0.00 176.83 177.06 2br2 h LEU 143 N 0.50 0.56 -0.37 2.23 5.85 -0.74 -0.66 115.31 122.69 2br2 h LEU 143 Ca 0.14 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2br2 h LEU 143 Cb -0.01 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2br2 h LEU 143 CO -0.03 0.52 -0.01 0.24 -0.34 0.00 0.00 178.44 178.83 2br2 h MET 144 N 0.56 0.65 -0.51 1.25 2.86 -0.77 -0.02 114.93 118.96 2br2 h MET 144 Ca 0.15 -0.21 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2br2 h MET 144 Cb 0.10 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.64 2br2 h MET 144 CO -0.02 0.77 0.14 0.00 1.06 0.00 0.00 176.91 178.86 2br2 h ALA 145 N 0.86 0.60 0.14 6.32 0.00 -0.81 -0.07 119.26 126.31 2br2 h ALA 145 Ca 0.10 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2br2 h ALA 145 Cb 0.48 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2br2 h ALA 145 CO 0.02 -0.26 -0.20 0.00 0.00 0.00 0.00 179.25 178.80 2br2 h ALA 146 N 1.37 -0.37 -0.62 0.00 0.00 -0.80 0.13 119.26 118.97 2br2 h ALA 146 Ca 0.25 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.24 2br2 h ALA 146 Cb 0.31 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 2br2 h ALA 146 CO -0.29 -0.74 0.15 1.03 0.00 0.00 0.00 179.25 179.40 2br2 h SER 147 N -0.40 0.04 0.14 0.00 0.87 -0.38 -0.13 113.55 113.68 2br2 h SER 147 Ca 0.02 0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.53 2br2 h SER 147 Cb 0.41 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2br2 h SER 147 CO -0.09 0.02 -0.59 -0.07 -0.53 0.00 0.00 176.83 175.57 2br2 h LEU 148 N 0.28 0.52 -0.99 2.23 3.38 -0.70 -1.73 115.31 118.30 2br2 h LEU 148 Ca 0.33 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2br2 h LEU 148 Cb 0.49 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2br2 h LEU 148 CO -0.41 0.99 0.17 0.00 0.09 0.00 0.00 178.44 179.28 2br2 h ALA 149 N 1.02 1.18 -0.41 1.53 0.00 0.32 0.33 119.26 123.23 2br2 h ALA 149 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2br2 h ALA 149 Cb 1.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2br2 h ALA 149 CO 0.10 0.57 0.14 -0.07 0.00 0.00 0.00 179.25 179.99 2br2 h LEU 150 N 0.87 0.60 -0.61 0.00 3.38 -0.85 0.43 115.31 119.13 2br2 h LEU 150 Ca 0.19 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2br2 h LEU 150 Cb 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2br2 h LEU 150 CO -0.01 0.63 0.39 0.00 0.09 0.00 0.00 178.44 179.55 2br2 h ALA 151 N 0.98 0.78 -0.66 1.53 0.00 -0.83 -1.85 119.26 119.21 2br2 h ALA 151 Ca 0.13 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2br2 h ALA 151 Cb 0.25 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2br2 h ALA 151 CO -0.01 0.23 0.44 0.22 0.00 0.00 0.00 179.25 180.13 2br2 h ASP 152 N 0.83 0.63 0.76 0.00 3.58 0.06 -0.21 116.42 122.06 2br2 h ASP 152 Ca 0.22 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2br2 h ASP 152 Cb -0.07 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.84 2br2 h ASP 152 CO -0.05 0.42 0.00 0.00 -2.88 0.00 0.00 179.24 176.73 2br2 n ALA 153 N -2.46 2.18 -1.79 -0.78 0.00 0.10 -4.72 120.51 113.05 2br2 n ALA 153 Ca 0.09 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2br2 n ALA 153 Cb 0.19 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 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 1.03 0.36 3.66 0.00 0.00 -0.09 -4.90 105.19 105.25 2br2 n GLY 154 Ca 0.08 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.25 4.90 0.20 -0.61 1.01 -0.76 -5.01 121.20 118.68 2br2 s ILE 155 Ca 0.00 1.51 -0.31 0.00 0.00 0.00 0.00 60.65 61.85 2br2 s ILE 155 Cb 0.00 -4.09 -0.11 0.00 0.01 0.00 0.00 42.46 38.28 2br2 s ILE 155 CO 0.00 0.01 1.58 -2.84 0.00 0.00 0.00 174.94 173.69 2br2 s PRO 156 N 2.34 4.20 0.13 2.79 0.02 -1.26 -4.51 135.00 138.71 2br2 s PRO 156 Ca 0.35 2.42 0.02 0.00 0.02 0.00 0.00 61.00 63.81 2br2 s PRO 156 Cb -0.16 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 2br2 s PRO 156 CO 0.10 -0.61 -0.03 -1.64 -0.33 0.00 0.00 177.00 174.50 2br2 s MET 157 N 0.70 0.97 0.25 5.54 -1.94 -1.26 -1.80 119.30 121.75 2br2 s MET 157 Ca 0.68 -1.43 -0.02 0.00 -1.71 0.00 0.00 55.69 53.21 2br2 s MET 157 Cb -0.45 -0.21 0.30 0.00 2.01 0.00 0.00 34.83 36.48 2br2 s MET 157 CO 0.35 -0.08 1.73 0.00 -0.01 0.00 0.00 175.02 177.01 2br2 h ARG 158 N 2.84 0.78 -1.58 2.03 3.08 -0.76 -3.47 114.38 117.29 2br2 h ARG 158 Ca -0.36 -0.23 0.29 0.00 0.07 0.00 0.00 59.98 59.75 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 0.83 0.78 0.34 -1.07 0.00 0.00 179.97 181.48 2br2 s ASP 159 N -6.67 -0.09 0.81 7.04 2.15 -1.26 -5.02 116.67 113.62 2br2 s ASP 159 Ca -0.09 -0.14 -0.11 0.00 0.43 0.00 0.00 52.55 52.63 2br2 s ASP 159 Cb 0.14 0.20 0.08 0.00 -0.30 0.00 0.00 42.92 43.04 2br2 s ASP 159 CO 0.82 -0.37 1.09 -0.76 -0.17 0.00 0.00 175.17 175.78 2br2 s LEU 160 N -2.83 2.57 -0.14 -1.34 1.43 -1.26 -4.93 118.68 112.18 2br2 s LEU 160 Ca 0.13 1.35 -0.01 0.00 -1.03 0.00 0.00 54.13 54.58 2br2 s LEU 160 Cb 0.03 -3.95 -0.01 0.00 0.03 0.00 0.00 46.19 42.29 2br2 s LEU 160 CO -0.03 -2.06 -0.12 -0.63 0.23 0.00 0.00 176.35 173.74 2br2 s ILE 161 N -3.11 3.06 0.02 -0.59 1.01 -1.26 -4.13 121.20 116.20 2br2 s ILE 161 Ca 0.61 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.68 2br2 s ILE 161 Cb -0.15 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 2br2 s ILE 161 CO 0.55 0.51 -0.22 0.00 0.00 0.00 0.00 174.94 175.79 2br2 s ALA 162 N 0.49 1.82 0.01 9.38 0.00 -0.27 -4.65 121.76 128.54 2br2 s ALA 162 Ca -0.09 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 2br2 s ALA 162 Cb -0.16 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2br2 s ALA 162 CO 0.04 0.42 0.21 0.20 0.00 0.00 0.00 175.76 176.63 2br2 s GLY 163 N -0.92 -0.01 0.02 0.00 0.00 -1.26 -0.78 107.32 104.37 2br2 s GLY 163 Ca 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.67 2br2 s GLY 163 CO 0.01 -0.25 0.09 -1.34 0.00 0.00 0.00 173.10 171.61 2br2 s VAL 164 N -1.86 0.11 -0.14 1.40 -7.23 -0.47 -4.90 120.40 107.31 2br2 s VAL 164 Ca -0.11 -0.89 -0.19 0.00 -1.81 0.00 0.00 61.98 58.98 2br2 s VAL 164 Cb -0.04 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 2br2 s VAL 164 CO 0.00 -0.49 0.52 0.00 -0.31 0.00 0.00 175.10 174.82 2br2 s ALA 165 N -1.89 3.49 0.27 1.32 0.00 -1.26 -1.38 121.76 122.30 2br2 s ALA 165 Ca -0.11 -0.23 0.08 0.00 0.00 0.00 0.00 51.96 51.71 2br2 s ALA 165 Cb -0.05 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2br2 s ALA 165 CO -0.01 -0.19 0.09 0.54 0.00 0.00 0.00 175.76 176.19 2br2 s VAL 166 N 1.05 3.79 0.00 0.00 0.11 -0.51 -0.01 120.40 124.83 2br2 s VAL 166 Ca 0.27 -1.69 -0.00 0.00 -2.93 0.00 0.00 61.98 57.63 2br2 s VAL 166 Cb -0.15 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 2br2 s VAL 166 CO 0.11 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 2br2 n GLY 167 N -1.04 1.36 2.94 6.54 0.00 -0.12 -0.02 105.19 114.85 2br2 n GLY 167 Ca -0.07 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 1.49 0.00 1.61 2.20 -1.07 -0.59 119.74 121.38 2br2 s LYS 168 Ca 0.00 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2br2 s LYS 168 Cb -0.00 -1.43 0.00 0.00 -1.51 0.00 0.00 37.83 34.89 2br2 s LYS 168 CO 0.00 -0.14 0.00 0.00 -0.36 0.00 0.00 175.35 174.85 2br2 n ALA 169 N 4.45 0.26 -2.87 3.13 0.00 0.35 -0.85 120.51 124.99 2br2 n ALA 169 Ca -0.17 -0.06 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 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 -1.71 4.58 0.00 0.00 8.00 -1.26 -4.30 116.55 121.86 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 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 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 -0.28 2.08 3.72 0.44 0.00 -1.26 -5.01 105.19 104.88 2br2 n GLY 171 Ca 0.32 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 -2.90 5.40 -0.01 1.61 1.01 -1.26 -5.06 120.40 119.19 2br2 s VAL 172 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 2br2 s VAL 172 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2br2 s VAL 172 CO 0.00 0.42 1.13 -0.63 0.00 0.00 0.00 175.10 176.02 2br2 s ILE 173 N 0.51 4.36 0.12 2.22 1.01 -1.26 -0.49 121.20 127.67 2br2 s ILE 173 Ca 0.08 1.69 0.05 0.00 0.00 0.00 0.00 60.65 62.47 2br2 s ILE 173 Cb -0.12 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2br2 s ILE 173 CO -0.00 0.07 -0.12 0.27 0.00 0.00 0.00 174.94 175.16 2br2 s ILE 174 N 1.55 1.19 -0.14 2.92 -4.36 0.24 -4.81 121.20 117.79 2br2 s ILE 174 Ca 0.55 -1.81 -0.02 0.00 -0.26 0.00 0.00 60.65 59.11 2br2 s ILE 174 Cb -0.25 -1.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.85 2br2 s ILE 174 CO 0.25 -0.55 -0.06 -0.22 0.24 0.00 0.00 174.94 174.60 2br2 s LEU 175 N -2.67 3.10 -0.26 0.37 2.96 0.56 -0.95 118.68 121.78 2br2 s LEU 175 Ca 0.10 -0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 2br2 s LEU 175 Cb -0.02 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.95 2br2 s LEU 175 CO 0.02 0.18 0.25 -0.67 -1.32 0.00 0.00 176.35 174.80 2br2 n ASP 176 N 3.46 -6.14 -4.76 3.68 2.03 0.98 -4.67 116.55 111.13 2br2 n ASP 176 Ca -0.18 0.62 -0.39 0.00 0.52 0.00 0.00 54.79 55.36 2br2 n ASP 176 Cb 0.53 -4.03 -0.05 0.00 -0.72 0.00 0.00 41.12 36.85 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 -1.72 4.53 1.12 -2.67 1.43 -1.24 -4.76 118.68 115.37 2br2 s LEU 177 Ca 0.10 2.08 -0.14 0.00 -1.03 0.00 0.00 54.13 55.14 2br2 s LEU 177 Cb -0.03 -3.71 0.20 0.00 0.03 0.00 0.00 46.19 42.68 2br2 s LEU 177 CO 0.54 -0.05 0.67 0.59 0.23 0.00 0.00 176.35 178.33 2br2 n ASN 178 N 1.12 -1.78 -0.25 2.29 5.03 -1.26 -4.57 115.26 115.84 2br2 n ASN 178 Ca -0.01 -0.06 -0.07 0.00 0.87 0.00 0.00 54.58 55.31 2br2 n ASN 178 Cb 0.47 -1.18 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 -2.36 1.01 -0.56 3.52 4.81 -1.90 -1.21 114.58 117.90 2br2 h GLU 179 Ca -0.56 -0.18 0.06 0.00 -0.13 0.00 0.00 59.36 58.55 2br2 h GLU 179 Cb 1.33 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 2br2 h GLU 179 CO 0.44 0.83 0.28 1.15 -0.73 0.00 0.00 179.01 180.98 2br2 h THR 180 N 0.96 0.93 -0.22 0.32 2.02 -1.93 0.99 112.91 115.97 2br2 h THR 180 Ca 0.23 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 67.07 2br2 h THR 180 Cb 0.19 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2br2 h THR 180 CO -0.02 0.10 -0.51 -0.33 0.37 0.00 0.00 175.52 175.13 2br2 h GLU 181 N 0.52 0.63 0.34 6.66 5.08 -1.91 -1.67 114.58 124.23 2br2 h GLU 181 Ca 0.25 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2br2 h GLU 181 Cb 0.19 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2br2 h GLU 181 CO -0.19 0.99 -0.16 0.22 -1.00 0.00 0.00 179.01 178.87 2br2 h ASP 182 N 0.49 -0.38 -0.76 1.42 1.82 -0.86 0.10 116.42 118.25 2br2 h ASP 182 Ca 0.02 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.62 2br2 h ASP 182 Cb 1.06 0.10 -0.03 0.00 0.68 0.00 0.00 39.33 41.13 2br2 h ASP 182 CO 0.10 -0.26 0.30 -0.03 -1.61 0.00 0.00 179.24 177.74 2br2 h MET 183 N -0.47 1.15 0.00 0.28 4.05 -0.74 -3.34 114.93 115.86 2br2 h MET 183 Ca -0.05 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 2br2 h MET 183 Cb 0.36 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2br2 h MET 183 CO 0.08 0.94 -0.88 0.91 0.23 0.00 0.00 176.91 178.18 2br2 n TRP 184 N -4.31 0.00 -1.04 1.39 7.02 -0.63 -5.03 117.44 114.85 2br2 n TRP 184 Ca 0.07 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.26 2br2 n TRP 184 Cb 0.19 -0.09 0.20 0.00 -2.42 0.00 0.00 31.31 29.19 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 -2.55 1.55 0.25 6.99 0.00 0.35 -4.98 107.32 108.93 2br2 s GLY 185 Ca 0.02 -0.43 0.20 0.00 0.00 0.00 0.00 44.72 44.50 2br2 s GLY 185 CO 0.51 0.25 1.22 0.83 0.00 0.00 0.00 173.10 175.92 2br2 h GLU 186 N -2.17 0.00 -2.53 2.90 3.07 -1.18 -3.48 114.58 111.19 2br2 h GLU 186 Ca -0.55 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.22 2br2 h GLU 186 Cb 1.33 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 29.05 2br2 h GLU 186 CO 0.53 0.18 -0.05 0.00 -1.40 0.00 0.00 179.01 178.28 2br2 s ALA 187 N -3.13 -1.26 -0.07 3.43 0.00 -1.21 -0.88 121.76 118.63 2br2 s ALA 187 Ca 0.02 0.81 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 2br2 s ALA 187 Cb 0.08 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.28 2br2 s ALA 187 CO 0.76 -0.31 0.13 0.34 0.00 0.00 0.00 175.76 176.67 2br2 s ASP 188 N -1.26 0.86 -0.46 0.00 2.15 0.62 -2.60 116.67 115.98 2br2 s ASP 188 Ca -0.12 0.26 0.03 0.00 0.43 0.00 0.00 52.55 53.15 2br2 s ASP 188 Cb -0.03 0.16 0.15 0.00 -0.30 0.00 0.00 42.92 42.90 2br2 s ASP 188 CO 0.07 -0.25 0.30 -0.32 -0.17 0.00 0.00 175.17 174.80 2br2 s MET 189 N 2.25 1.23 0.21 4.34 -2.45 0.98 -0.61 119.30 125.25 2br2 s MET 189 Ca 0.04 -2.12 -0.30 0.00 -1.25 0.00 0.00 55.69 52.06 2br2 s MET 189 Cb -0.12 -2.08 -0.09 0.00 1.25 0.00 0.00 34.83 33.79 2br2 s MET 189 CO -0.05 -1.25 1.39 -1.25 1.05 0.00 0.00 175.02 174.91 2br2 s PRO 190 N 0.13 4.32 -0.02 4.11 0.04 -1.02 -1.42 135.00 141.14 2br2 s PRO 190 Ca 0.23 2.17 0.01 0.00 0.04 0.00 0.00 61.00 63.45 2br2 s PRO 190 Cb -0.14 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.25 2br2 s PRO 190 CO -0.07 -0.36 -0.03 0.42 0.04 0.00 0.00 177.00 177.00 2br2 s ILE 191 N 0.26 0.31 -0.01 0.56 1.01 -0.48 -1.88 121.20 120.96 2br2 s ILE 191 Ca 0.59 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 61.21 2br2 s ILE 191 Cb -0.39 -0.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.74 2br2 s ILE 191 CO 0.39 0.14 -0.08 0.00 0.00 0.00 0.00 174.94 175.39 2br2 s ALA 192 N 0.57 0.72 0.19 9.38 0.00 0.08 -1.37 121.76 131.32 2br2 s ALA 192 Ca -0.06 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2br2 s ALA 192 Cb -0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 2br2 s ALA 192 CO -0.01 0.14 -0.03 -1.64 0.00 0.00 0.00 175.76 174.23 2br2 s MET 193 N 0.02 1.18 -0.86 0.00 1.00 0.04 0.11 119.30 120.79 2br2 s MET 193 Ca 0.00 -1.56 -0.17 0.00 0.00 0.00 0.00 55.69 53.96 2br2 s MET 193 Cb -0.06 -0.50 0.16 0.00 0.00 0.00 0.00 34.83 34.44 2br2 s MET 193 CO -0.00 -0.06 0.96 -1.64 0.00 0.00 0.00 175.02 174.28 2br2 s MET 194 N -3.85 3.56 0.31 2.03 -1.94 0.24 -1.12 119.30 118.53 2br2 s MET 194 Ca 0.24 -1.99 0.02 0.00 -1.71 0.00 0.00 55.69 52.25 2br2 s MET 194 Cb 0.05 -4.68 0.59 0.00 2.01 0.00 0.00 34.83 32.80 2br2 s MET 194 CO 0.05 -1.57 1.90 -1.35 -0.01 0.00 0.00 175.02 174.03 2br2 h PRO 195 N 8.46 0.93 0.00 2.03 0.11 -1.83 -0.39 132.00 141.30 2br2 h PRO 195 Ca 0.10 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 2br2 h PRO 195 Cb 1.04 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 2br2 h PRO 195 CO 0.97 0.61 -0.13 0.77 -0.21 0.00 0.00 178.00 180.01 2br2 h SER 196 N 0.96 0.00 -0.01 -2.05 0.02 -1.93 -2.66 113.55 107.88 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 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2br2 h SER 196 CO -0.17 0.13 -0.59 0.18 -1.14 0.00 0.00 176.83 175.24 2br2 n LEU 197 N -3.98 1.72 -3.42 5.07 4.77 -0.21 -4.97 117.00 115.98 2br2 n LEU 197 Ca -0.02 -0.69 -0.25 0.00 -0.03 0.00 0.00 56.01 55.02 2br2 n LEU 197 Cb 0.22 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 2br2 n LEU 197 CO 0.33 0.34 0.02 0.59 -1.33 0.00 0.00 177.39 177.34 2br2 n ASN 198 N -0.41 -4.83 -4.47 -1.43 5.03 -0.85 -4.97 115.26 103.33 2br2 n ASN 198 Ca 0.08 -0.47 -0.35 0.00 0.87 0.00 0.00 54.58 54.71 2br2 n ASN 198 Cb 0.42 -3.91 -0.12 0.00 -1.02 0.00 0.00 39.78 35.14 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 -6.09 3.67 -0.19 3.52 -1.52 -1.16 -4.99 119.66 112.89 2br2 s GLN 199 Ca 0.45 -0.49 -0.26 0.00 -1.95 0.00 0.00 55.36 53.10 2br2 s GLN 199 Cb -0.22 -3.12 -0.01 0.00 -0.22 0.00 0.00 33.01 29.43 2br2 s GLN 199 CO 0.55 0.02 0.88 0.08 -0.25 0.00 0.00 175.29 176.58 2br2 s VAL 200 N 1.00 4.83 -0.12 1.09 1.01 -1.26 -0.59 120.40 126.35 2br2 s VAL 200 Ca 0.02 1.73 -0.10 0.00 0.00 0.00 0.00 61.98 63.63 2br2 s VAL 200 Cb -0.14 -4.18 -0.26 0.00 0.00 0.00 0.00 36.38 31.80 2br2 s VAL 200 CO 0.02 -0.03 0.41 0.74 0.00 0.00 0.00 175.10 176.24 2br2 h THR 201 N 5.28 0.75 -3.63 3.92 2.02 -0.66 -3.48 112.91 117.11 2br2 h THR 201 Ca -0.26 -2.35 -0.33 0.00 0.77 0.00 0.00 66.41 64.24 2br2 h THR 201 Cb 1.11 2.53 -0.32 0.00 -1.74 0.00 0.00 68.15 69.74 2br2 h THR 201 CO 0.87 0.80 -0.75 -0.22 0.37 0.00 0.00 175.52 176.59 2br2 s LEU 202 N -7.25 1.52 -0.21 2.58 0.20 -0.89 -4.22 118.68 110.41 2br2 s LEU 202 Ca -0.22 -0.05 -0.04 0.00 0.69 0.00 0.00 54.13 54.51 2br2 s LEU 202 Cb 0.06 -0.21 0.11 0.00 -0.43 0.00 0.00 46.19 45.72 2br2 s LEU 202 CO 0.76 -0.04 0.36 0.12 -0.29 0.00 0.00 176.35 177.26 2br2 s PHE 203 N 0.56 -0.71 0.01 5.38 5.36 -1.26 -0.75 117.98 126.58 2br2 s PHE 203 Ca -0.06 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 56.87 2br2 s PHE 203 Cb -0.09 0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.63 2br2 s PHE 203 CO -0.01 -0.60 -0.02 -0.65 -1.46 0.00 0.00 175.22 172.48 2br2 s GLN 204 N 2.53 0.18 -0.06 10.12 -0.21 -0.79 -5.05 119.66 126.38 2br2 s GLN 204 Ca 0.07 -0.32 0.01 0.00 0.02 0.00 0.00 55.36 55.14 2br2 s GLN 204 Cb -0.14 0.03 0.02 0.00 1.00 0.00 0.00 33.01 33.92 2br2 s GLN 204 CO -0.14 -0.02 -0.06 -1.17 -2.12 0.00 0.00 175.29 171.78 2br2 s LEU 205 N -0.76 1.31 0.10 2.90 2.96 -1.26 -2.43 118.68 121.50 2br2 s LEU 205 Ca -0.08 -0.18 0.09 0.00 -0.22 0.00 0.00 54.13 53.74 2br2 s LEU 205 Cb -0.05 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 2br2 s LEU 205 CO -0.00 -0.06 -0.19 0.54 -1.32 0.00 0.00 176.35 175.31 2br2 s ASN 206 N 1.06 3.77 0.00 3.68 2.20 0.22 -5.00 114.94 120.88 2br2 s ASN 206 Ca -0.08 -0.56 0.00 0.00 -0.94 0.00 0.00 52.86 51.28 2br2 s ASN 206 Cb -0.14 -0.51 0.00 0.00 -2.00 0.00 0.00 41.25 38.60 2br2 s ASN 206 CO -0.01 0.20 0.00 0.61 -2.94 0.00 0.00 177.10 174.96 2br2 n GLY 207 N 1.00 0.85 3.51 0.45 0.00 -1.26 -0.28 105.19 109.47 2br2 n GLY 207 Ca -0.16 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.77 -0.05 1.61 0.15 -0.06 -4.95 113.70 105.64 2br2 s SER 208 Ca 0.00 1.28 -0.18 0.00 0.70 0.00 0.00 55.95 57.75 2br2 s SER 208 Cb 0.00 1.18 0.04 0.00 -1.71 0.00 0.00 66.02 65.53 2br2 s SER 208 CO 0.00 -0.22 0.40 -0.04 1.20 0.00 0.00 173.24 174.58 2br2 s MET 209 N 1.34 0.72 0.55 5.44 -1.94 -1.26 -4.41 119.30 119.73 2br2 s MET 209 Ca -0.08 0.03 -0.16 0.00 -1.71 0.00 0.00 55.69 53.77 2br2 s MET 209 Cb -0.06 0.33 -0.06 0.00 2.01 0.00 0.00 34.83 37.05 2br2 s MET 209 CO -0.14 -0.19 1.02 0.95 -0.01 0.00 0.00 175.02 176.65 2br2 s THR 210 N -1.04 4.14 0.31 2.05 -4.23 -1.26 -4.84 115.64 110.77 2br2 s THR 210 Ca -0.11 1.04 0.07 0.00 -1.18 0.00 0.00 61.69 61.51 2br2 s THR 210 Cb -0.04 -3.54 0.30 0.00 1.34 0.00 0.00 72.50 70.56 2br2 s THR 210 CO 0.05 -0.57 1.75 -0.65 -0.54 0.00 0.00 174.62 174.66 2br2 h PRO 211 N 0.74 0.63 -0.06 3.99 0.11 -2.01 0.21 132.00 135.60 2br2 h PRO 211 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2br2 h PRO 211 Cb 1.20 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2br2 h PRO 211 CO 0.59 0.42 0.04 -0.44 -0.21 0.00 0.00 178.00 178.40 2br2 h ASP 212 N 0.65 0.07 -0.57 -2.05 3.32 -1.99 -0.75 116.42 115.09 2br2 h ASP 212 Ca 0.60 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.63 2br2 h ASP 212 Cb 1.03 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 2br2 h ASP 212 CO -0.43 0.09 0.35 -0.33 -1.72 0.00 0.00 179.24 177.20 2br2 h GLU 213 N 0.05 0.67 -0.42 3.56 5.08 -1.69 -0.31 114.58 121.51 2br2 h GLU 213 Ca 0.02 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2br2 h GLU 213 Cb 0.03 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 2br2 h GLU 213 CO -0.00 0.44 0.07 0.35 -1.00 0.00 0.00 179.01 178.87 2br2 h PHE 214 N 0.69 0.12 -0.51 4.33 3.57 -0.41 0.39 116.94 125.11 2br2 h PHE 214 Ca 0.23 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 2br2 h PHE 214 Cb 0.02 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2br2 h PHE 214 CO -0.06 -0.00 -0.05 0.00 -2.23 0.00 0.00 178.31 175.97 2br2 h ARG 215 N 0.20 0.91 0.04 1.11 3.08 -0.54 -1.10 114.38 118.08 2br2 h ARG 215 Ca 0.21 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2br2 h ARG 215 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2br2 h ARG 215 CO -0.28 0.94 -0.02 1.96 -1.07 0.00 0.00 179.97 181.50 2br2 h GLN 216 N 0.83 -0.05 -0.61 0.04 4.20 -0.63 -2.36 115.11 116.54 2br2 h GLN 216 Ca 0.14 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.87 2br2 h GLN 216 Cb 0.57 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 2br2 h GLN 216 CO 0.03 0.06 0.39 0.00 -0.67 0.00 0.00 178.83 178.65 2br2 h ALA 217 N 0.81 0.78 -0.47 3.87 0.00 -0.83 -1.84 119.26 121.58 2br2 h ALA 217 Ca -0.01 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2br2 h ALA 217 Cb 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 2br2 h ALA 217 CO 0.01 0.17 0.14 0.35 0.00 0.00 0.00 179.25 179.92 2br2 h PHE 218 N 0.79 0.23 -0.94 0.00 3.57 -1.13 0.34 116.94 119.81 2br2 h PHE 218 Ca 0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2br2 h PHE 218 Cb -0.06 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 2br2 h PHE 218 CO -0.04 0.05 0.60 -0.44 -2.23 0.00 0.00 178.31 176.26 2br2 h ASP 219 N 0.29 1.10 -0.55 0.41 3.32 -0.90 -2.43 116.42 117.65 2br2 h ASP 219 Ca 0.23 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 2br2 h ASP 219 Cb 0.27 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2br2 h ASP 219 CO -0.26 0.81 0.06 0.25 -1.72 0.00 0.00 179.24 178.37 2br2 h LEU 220 N 1.28 0.91 -0.82 1.55 5.85 -0.47 -2.94 115.31 120.67 2br2 h LEU 220 Ca 0.34 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2br2 h LEU 220 Cb -0.11 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.62 2br2 h LEU 220 CO -0.07 0.96 0.52 0.00 -0.34 0.00 0.00 178.44 179.50 2br2 h ALA 221 N 0.98 1.09 -0.45 1.25 0.00 -0.60 -2.03 119.26 119.49 2br2 h ALA 221 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2br2 h ALA 221 Cb 0.46 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2br2 h ALA 221 CO 0.02 0.31 0.27 0.28 0.00 0.00 0.00 179.25 180.13 2br2 h VAL 222 N 0.99 1.06 -0.78 0.00 2.07 -1.28 0.31 116.25 118.62 2br2 h VAL 222 Ca 0.34 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 2br2 h VAL 222 Cb 0.06 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2br2 h VAL 222 CO -0.13 0.10 0.41 0.11 0.02 0.00 0.00 177.57 178.08 2br2 h LYS 223 N 0.55 1.09 0.23 1.57 1.57 -1.30 -0.33 116.57 119.94 2br2 h LYS 223 Ca 0.18 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2br2 h LYS 223 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.10 2br2 h LYS 223 CO -0.08 0.82 -0.11 0.78 -0.57 0.00 0.00 179.45 180.30 2br2 h GLY 224 N 1.08 -0.32 0.38 3.86 0.00 -0.85 -2.98 103.07 104.26 2br2 h GLY 224 Ca 0.27 0.12 0.13 0.00 0.00 0.00 0.00 47.33 47.85 2br2 h GLY 224 CO -0.04 -0.11 0.57 -2.22 0.00 0.00 0.00 176.54 174.73 2br2 h ILE 225 N -0.41 0.85 -0.23 2.60 2.04 -0.08 -1.47 117.51 120.81 2br2 h ILE 225 Ca -0.03 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 2br2 h ILE 225 Cb 0.31 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2br2 h ILE 225 CO 0.05 0.16 -0.15 0.78 0.00 0.00 0.00 178.15 178.99 2br2 h ASN 226 N 0.86 0.37 -0.12 1.72 2.35 -0.99 0.37 115.58 120.14 2br2 h ASN 226 Ca 0.49 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 56.08 2br2 h ASN 226 Cb 0.56 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 2br2 h ASN 226 CO -0.30 0.55 -0.18 0.40 -1.65 0.00 0.00 177.43 176.26 2br2 h ILE 227 N 0.36 1.37 -0.79 2.81 2.04 -1.15 -2.86 117.51 119.29 2br2 h ILE 227 Ca 0.07 -1.40 0.07 0.00 1.00 0.00 0.00 64.86 64.60 2br2 h ILE 227 Cb 0.48 2.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.50 2br2 h ILE 227 CO 0.03 0.41 0.46 0.40 0.00 0.00 0.00 178.15 179.45 2br2 h ILE 228 N -0.08 0.97 -0.46 -0.67 2.04 -1.07 -2.81 117.51 115.43 2br2 h ILE 228 Ca 0.01 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.62 2br2 h ILE 228 Cb 0.74 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2br2 h ILE 228 CO 0.04 0.15 0.26 0.22 0.00 0.00 0.00 178.15 178.82 2br2 h TYR 229 N 0.82 0.48 -0.09 1.37 3.20 -0.89 -0.79 116.97 121.07 2br2 h TYR 229 Ca 0.36 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 2br2 h TYR 229 Cb 0.25 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2br2 h TYR 229 CO -0.06 0.27 -0.00 -0.91 -1.64 0.00 0.00 178.16 175.82 2br2 h ASN 230 N 0.51 0.10 -0.02 -2.11 2.35 -1.26 -0.46 115.58 114.70 2br2 h ASN 230 Ca 0.19 -0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.72 2br2 h ASN 230 Cb 0.04 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2br2 h ASN 230 CO -0.10 0.13 -0.76 -0.07 -1.65 0.00 0.00 177.43 174.99 2br2 h LEU 231 N 0.12 0.79 -0.38 1.61 3.38 -1.15 -2.39 115.31 117.29 2br2 h LEU 231 Ca 0.03 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2br2 h LEU 231 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2br2 h LEU 231 CO 0.00 1.30 0.18 -0.33 0.09 0.00 0.00 178.44 179.67 2br2 h GLU 232 N 0.46 0.55 -0.66 1.13 5.08 -0.37 0.81 114.58 121.59 2br2 h GLU 232 Ca -0.04 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2br2 h GLU 232 Cb 1.37 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 2br2 h GLU 232 CO 0.15 0.50 0.35 0.00 -1.00 0.00 0.00 179.01 179.01 2br2 h ARG 233 N 0.48 0.61 -0.25 2.33 3.08 -1.10 -1.52 114.38 118.01 2br2 h ARG 233 Ca 0.13 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 2br2 h ARG 233 Cb 0.13 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2br2 h ARG 233 CO -0.02 0.41 -0.43 1.49 -1.07 0.00 0.00 179.97 180.35 2br2 h GLU 234 N 0.63 0.62 0.00 0.04 4.57 -1.16 -2.84 114.58 116.45 2br2 h GLU 234 Ca 0.30 -0.33 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2br2 h GLU 234 Cb 0.23 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2br2 h GLU 234 CO -0.20 0.94 -0.12 0.00 -1.18 0.00 0.00 179.01 178.45 2br2 h ALA 235 N 1.02 1.68 -0.45 2.92 0.00 -0.36 -0.80 119.26 123.26 2br2 h ALA 235 Ca 0.04 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2br2 h ALA 235 Cb 0.96 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2br2 h ALA 235 CO 0.09 0.14 -0.20 1.25 0.00 0.00 0.00 179.25 180.53 2br2 h LEU 236 N 0.00 0.92 0.01 0.00 5.85 -1.04 0.66 115.31 121.70 2br2 h LEU 236 Ca -0.00 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2br2 h LEU 236 Cb 0.22 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2br2 h LEU 236 CO 0.02 1.09 -0.00 0.11 -0.34 0.00 0.00 178.44 179.31 2br2 h LYS 237 N 0.79 -0.01 0.00 1.25 1.57 -1.38 -3.39 116.57 115.40 2br2 h LYS 237 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2br2 h LYS 237 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2br2 h LYS 237 CO 0.06 0.80 -0.72 -1.13 -0.57 0.00 0.00 179.45 177.89 2br2 n SER 238 N -4.66 0.66 0.00 0.86 3.41 -0.36 -4.96 113.62 108.57 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 0.39 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 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 -1.58 0.00 -3.70 4.33 4.01 0.22 -4.92 118.16 116.52 2br2 n LYS 239 Ca 0.04 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.73 2br2 n LYS 239 Cb 0.35 -2.26 -0.12 0.00 -0.51 0.00 0.00 35.03 32.49 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 -2.25 -0.49 -0.03 2.13 5.04 -1.26 -1.25 117.35 119.25 2br2 s TYR 240 Ca 0.00 1.07 -0.00 0.00 -2.44 0.00 0.00 57.07 55.69 2br2 s TYR 240 Cb 0.00 0.13 0.03 0.00 0.35 0.00 0.00 41.96 42.47 2br2 s TYR 240 CO 0.00 -0.32 0.05 0.08 -1.34 0.00 0.00 175.55 174.02 2br2 s VAL 241 N 1.65 -0.06 -0.02 3.14 1.01 0.48 -4.84 120.40 121.77 2br2 s VAL 241 Ca -0.07 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.19 2br2 s VAL 241 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 2br2 s VAL 241 CO -0.10 0.08 -0.25 -1.61 0.00 0.00 0.00 175.10 173.22 2br2 s GLU 242 N 1.04 2.12 -0.14 2.72 2.02 -1.26 -0.73 118.70 124.47 2br2 s GLU 242 Ca -0.09 -0.92 -0.04 0.00 0.02 0.00 0.00 54.97 53.94 2br2 s GLU 242 Cb -0.12 -2.07 0.07 0.00 0.10 0.00 0.00 34.13 32.11 2br2 s GLU 242 CO -0.03 0.56 0.19 0.12 0.02 0.00 0.00 175.26 176.12 2br2 s PHE 243 N -0.64 -0.22 0.42 1.61 5.36 0.17 -5.00 117.98 119.69 2br2 s PHE 243 Ca 0.10 0.46 -0.23 0.00 -0.96 0.00 0.00 56.93 56.30 2br2 s PHE 243 Cb -0.10 -0.30 -0.09 0.00 -0.34 0.00 0.00 43.02 42.20 2br2 s PHE 243 CO -0.01 -0.42 1.06 -1.59 -1.46 0.00 0.00 175.22 172.81 2br2 s LYS 244 N 2.31 4.07 0.15 10.12 -2.85 -1.26 -0.76 119.74 131.52 2br2 s LYS 244 Ca 0.04 1.51 -0.31 0.00 -1.00 0.00 0.00 55.97 56.21 2br2 s LYS 244 Cb -0.14 -2.45 -0.18 0.00 -2.06 0.00 0.00 37.83 33.01 2br2 s LYS 244 CO -0.09 -0.23 0.72 0.39 0.10 0.00 0.00 175.35 176.25 2br2 n GLU 245 N -0.26 0.11 -3.63 1.78 1.02 -1.26 -4.83 120.64 113.57 2br2 n GLU 245 Ca 0.06 0.04 -0.05 0.00 -0.02 0.00 0.00 57.16 57.19 2br2 n GLU 245 Cb 0.50 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.69 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 -0.72 0.92 0.32 3.49 -1.05 -1.23 -5.00 118.70 115.42 2br2 s GLU 246 Ca 0.71 -0.44 -0.29 0.00 -0.15 0.00 0.00 54.97 54.80 2br2 s GLU 246 Cb -1.01 0.36 -0.11 0.00 -0.44 0.00 0.00 34.13 32.93 2br2 s GLU 246 CO 0.56 -0.41 1.43 0.20 0.95 0.00 0.00 175.26 177.99 2br2 s GLY 247 N -2.71 2.67 0.00 -3.83 0.00 -1.26 -2.83 107.32 99.36 2br2 s GLY 247 Ca 0.09 1.41 0.18 0.00 0.00 0.00 0.00 44.72 46.41 2br2 s GLY 247 CO -0.03 2.20 1.50 -0.62 0.00 0.00 0.00 173.10 176.15