#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br2 n GLU 3 N 0.00 0.30 0.18 2.89 0.28 -1.26 -3.89 120.64 119.14 2br2 n GLU 3 Ca 0.00 -0.17 0.13 0.00 -0.16 0.00 0.00 57.16 56.96 2br2 n GLU 3 Cb 0.00 -1.50 0.40 0.00 1.43 0.00 0.00 31.44 31.78 2br2 n GLU 3 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 2br2 h MET 4 N 0.41 0.00 -6.88 3.44 2.86 -2.14 -3.46 114.93 109.17 2br2 h MET 4 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 2br2 h MET 4 Cb 0.50 0.00 0.07 0.00 0.06 0.00 0.00 31.60 32.23 2br2 h MET 4 CO 0.00 0.00 0.66 -1.17 1.06 0.00 0.00 176.91 177.46 2br2 s LEU 5 N -5.39 4.41 -0.02 1.22 2.96 -1.25 -5.01 118.68 115.59 2br2 s LEU 5 Ca 0.06 2.73 0.04 0.00 -0.22 0.00 0.00 54.13 56.74 2br2 s LEU 5 Cb 0.09 -3.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.12 2br2 s LEU 5 CO 0.57 -0.59 -0.14 -1.58 -1.32 0.00 0.00 176.35 173.30 2br2 s GLN 6 N -1.72 1.21 -0.16 1.98 0.74 -1.26 -5.09 119.66 115.36 2br2 s GLN 6 Ca 0.50 -0.48 -0.40 0.00 0.05 0.00 0.00 55.36 55.03 2br2 s GLN 6 Cb -0.41 -1.14 -0.17 0.00 1.10 0.00 0.00 33.01 32.39 2br2 s GLN 6 CO 0.53 0.26 1.52 0.28 -0.55 0.00 0.00 175.29 177.34 2br2 n VAL 7 N 2.90 0.14 0.12 1.34 0.31 -1.26 -4.87 118.33 117.00 2br2 n VAL 7 Ca -0.15 -0.02 -0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2br2 n VAL 7 Cb 0.55 -0.87 0.27 0.00 -0.91 0.00 0.00 33.84 32.88 2br2 n VAL 7 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2br2 h GLU 8 N 5.62 0.17 -6.65 5.55 4.22 -2.05 -3.44 114.58 118.01 2br2 h GLU 8 Ca -0.47 -0.07 -0.52 0.00 0.08 0.00 0.00 59.36 58.37 2br2 h GLU 8 Cb 1.34 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.62 2br2 h GLU 8 CO 0.87 0.53 0.65 0.50 -2.18 0.00 0.00 179.01 179.37 2br2 s ARG 9 N -4.20 4.39 0.52 1.92 3.52 -1.26 -5.01 118.95 118.84 2br2 s ARG 9 Ca -0.04 2.02 -0.21 0.00 -0.13 0.00 0.00 55.73 57.37 2br2 s ARG 9 Cb 0.14 -3.21 -0.06 0.00 -1.56 0.00 0.00 34.95 30.26 2br2 s ARG 9 CO 0.75 -0.26 1.19 -1.25 -0.81 0.00 0.00 175.30 174.93 2br2 s PRO 10 N 0.10 3.40 0.27 5.12 0.04 -1.26 -5.01 135.00 137.65 2br2 s PRO 10 Ca 0.57 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 2br2 s PRO 10 Cb -0.36 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.90 2br2 s PRO 10 CO 0.36 -0.85 1.38 0.15 0.04 0.00 0.00 177.00 178.08 2br2 s LYS 11 N -3.01 4.31 -0.02 4.56 -0.14 -1.26 -4.94 119.74 119.24 2br2 s LYS 11 Ca 0.70 2.25 0.16 0.00 -1.36 0.00 0.00 55.97 57.72 2br2 s LYS 11 Cb -0.29 -3.11 -0.24 0.00 -1.68 0.00 0.00 37.83 32.51 2br2 s LYS 11 CO 0.34 -0.33 0.40 1.28 -0.76 0.00 0.00 175.35 176.28 2br2 n LEU 12 N 1.89 0.11 -4.15 3.17 4.77 -1.26 -4.85 117.00 116.68 2br2 n LEU 12 Ca 0.05 -0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 2br2 n LEU 12 Cb 0.41 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 2br2 n LEU 12 CO 0.60 0.03 -0.53 -0.63 -1.33 0.00 0.00 177.39 175.53 2br2 s ILE 13 N -3.04 2.14 0.00 -0.08 -1.09 -1.26 -4.14 121.20 113.73 2br2 s ILE 13 Ca -0.04 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 2br2 s ILE 13 Cb 0.11 -1.89 0.00 0.00 -1.58 0.00 0.00 42.46 39.10 2br2 s ILE 13 CO 0.67 0.54 0.00 0.18 -1.23 0.00 0.00 174.94 175.10 2br2 n LEU 14 N 4.47 0.00 -4.77 2.97 4.77 0.22 -4.96 117.00 119.70 2br2 n LEU 14 Ca -0.21 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.37 2br2 n LEU 14 Cb 0.50 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2br2 n LEU 14 CO 0.26 0.00 1.06 -0.62 -1.33 0.00 0.00 177.39 176.76 2br2 s ASP 15 N 0.35 6.06 0.53 -1.43 2.15 -1.26 -4.13 116.67 118.94 2br2 s ASP 15 Ca 0.00 2.89 0.00 0.00 0.43 0.00 0.00 52.55 55.87 2br2 s ASP 15 Cb 0.00 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 2br2 s ASP 15 CO 0.00 -1.05 0.00 0.47 -0.17 0.00 0.00 175.17 174.42 2br2 n ASP 16 N 0.01 -3.38 -0.02 -0.34 8.00 -1.26 -2.78 116.55 116.78 2br2 n ASP 16 Ca 0.04 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2br2 n ASP 16 Cb 0.42 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 2br2 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2br2 n GLY 17 N -0.15 -0.39 3.89 0.44 0.00 -1.26 -4.92 105.19 102.80 2br2 n GLY 17 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.97 3.70 0.62 1.61 1.02 -1.12 -4.36 119.74 119.24 2br2 s LYS 18 Ca 0.00 0.25 0.06 0.00 0.02 0.00 0.00 55.97 56.30 2br2 s LYS 18 Cb 0.00 -2.50 0.10 0.00 -0.52 0.00 0.00 37.83 34.91 2br2 s LYS 18 CO 0.00 0.06 0.85 1.03 -0.92 0.00 0.00 175.35 176.37 2br2 s ARG 19 N -3.79 2.12 0.46 1.68 0.52 -0.18 0.70 118.95 120.45 2br2 s ARG 19 Ca 0.48 -1.46 0.19 0.00 -0.52 0.00 0.00 55.73 54.41 2br2 s ARG 19 Cb -0.10 -2.55 1.10 0.00 0.52 0.00 0.00 34.95 33.91 2br2 s ARG 19 CO 0.32 -1.03 1.98 1.79 0.02 0.00 0.00 175.30 178.38 2br2 h THR 20 N -0.03 0.96 -0.34 0.02 1.35 -1.88 -1.29 112.91 111.69 2br2 h THR 20 Ca -0.32 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2br2 h THR 20 Cb 1.28 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2br2 h THR 20 CO 0.41 0.20 0.00 -0.90 -0.25 0.00 0.00 175.52 174.97 2br2 n ASP 21 N -4.03 2.76 0.00 5.36 3.85 -1.26 -4.94 116.55 118.30 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 0.28 -0.22 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 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 1.36 0.77 3.81 6.12 0.00 -0.49 -5.06 105.19 111.71 2br2 n GLY 22 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2br2 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2br2 s ARG 23 N -0.65 3.65 0.59 1.61 0.52 -1.26 -4.61 118.95 118.80 2br2 s ARG 23 Ca 0.00 1.20 -0.11 0.00 -0.52 0.00 0.00 55.73 56.30 2br2 s ARG 23 Cb 0.00 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 2br2 s ARG 23 CO 0.00 -0.53 1.00 0.15 0.02 0.00 0.00 175.30 175.93 2br2 s LYS 24 N -3.75 3.61 0.58 3.54 1.02 -1.26 -1.02 119.74 122.47 2br2 s LYS 24 Ca 0.64 0.69 0.28 0.00 0.02 0.00 0.00 55.97 57.60 2br2 s LYS 24 Cb -0.14 -2.12 1.50 0.00 -0.52 0.00 0.00 37.83 36.55 2br2 s LYS 24 CO 0.29 -0.50 1.95 -1.35 -0.92 0.00 0.00 175.35 174.82 2br2 h PRO 25 N -0.17 0.00 -0.58 -1.68 0.11 -1.89 -1.75 132.00 126.04 2br2 h PRO 25 Ca -0.45 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 2br2 h PRO 25 Cb 1.19 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 2br2 h PRO 25 CO 0.62 0.00 0.16 -0.40 -0.21 0.00 0.00 178.00 178.17 2br2 n ASP 26 N -3.85 4.34 -4.45 -2.05 5.75 -1.26 -0.54 116.55 114.49 2br2 n ASP 26 Ca 0.08 -3.25 -0.33 0.00 -0.01 0.00 0.00 54.79 51.27 2br2 n ASP 26 Cb 0.60 -0.69 -0.13 0.00 -1.03 0.00 0.00 41.12 39.87 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 -3.00 3.39 0.51 0.11 2.02 -0.66 -0.99 118.70 120.08 2br2 s GLU 27 Ca 0.51 -0.60 -0.18 0.00 0.02 0.00 0.00 54.97 54.72 2br2 s GLU 27 Cb 0.42 -2.73 -0.08 0.00 0.10 0.00 0.00 34.13 31.84 2br2 s GLU 27 CO 0.11 0.30 1.00 -0.51 0.02 0.00 0.00 175.26 176.18 2br2 s LEU 28 N 0.17 3.71 1.01 1.80 1.43 -1.13 -4.75 118.68 120.92 2br2 s LEU 28 Ca -0.05 1.73 -0.13 0.00 -1.03 0.00 0.00 54.13 54.65 2br2 s LEU 28 Cb -0.14 -4.53 0.19 0.00 0.03 0.00 0.00 46.19 41.74 2br2 s LEU 28 CO 0.04 -0.70 1.11 -0.13 0.23 0.00 0.00 176.35 176.89 2br2 s ARG 29 N -3.69 0.36 0.51 1.70 0.52 -1.26 -3.57 118.95 113.52 2br2 s ARG 29 Ca 0.62 0.39 -0.22 0.00 -0.52 0.00 0.00 55.73 56.00 2br2 s ARG 29 Cb -0.12 -1.74 -0.06 0.00 0.52 0.00 0.00 34.95 33.55 2br2 s ARG 29 CO 0.26 -2.75 1.22 -1.54 0.02 0.00 0.00 175.30 172.52 2br2 s SER 30 N -3.62 5.76 -0.01 0.23 1.04 -1.26 -4.56 113.70 111.27 2br2 s SER 30 Ca 0.66 2.44 0.08 0.00 0.48 0.00 0.00 55.95 59.61 2br2 s SER 30 Cb -0.17 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.32 2br2 s SER 30 CO 0.57 -1.21 -0.25 -0.63 0.98 0.00 0.00 173.24 172.70 2br2 s ILE 31 N -1.49 1.96 -0.02 -1.02 1.01 -0.09 -0.14 121.20 121.41 2br2 s ILE 31 Ca 0.68 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2br2 s ILE 31 Cb -0.32 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.55 2br2 s ILE 31 CO 0.38 0.53 0.01 -0.75 0.00 0.00 0.00 174.94 175.11 2br2 s LYS 32 N -0.63 0.15 -0.04 2.79 2.20 -0.21 -0.64 119.74 123.35 2br2 s LYS 32 Ca 0.10 0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.83 2br2 s LYS 32 Cb -0.10 -0.36 0.02 0.00 -1.51 0.00 0.00 37.83 35.88 2br2 s LYS 32 CO -0.01 -0.14 -0.04 0.42 -0.36 0.00 0.00 175.35 175.22 2br2 s ILE 33 N 0.97 0.49 0.01 5.43 1.01 0.02 -0.15 121.20 128.98 2br2 s ILE 33 Ca -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 2br2 s ILE 33 Cb -0.13 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 2br2 s ILE 33 CO -0.02 0.20 0.03 -1.83 0.00 0.00 0.00 174.94 173.32 2br2 s GLU 34 N 0.76 0.28 0.20 2.79 -1.05 -0.53 -0.49 118.70 120.68 2br2 s GLU 34 Ca -0.10 -0.38 0.09 0.00 -0.15 0.00 0.00 54.97 54.43 2br2 s GLU 34 Cb -0.13 0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.63 2br2 s GLU 34 CO 0.00 -0.05 -0.09 -0.51 0.95 0.00 0.00 175.26 175.56 2br2 s LEU 35 N -1.04 2.98 -1.02 1.83 1.02 -0.41 -0.42 118.68 121.62 2br2 s LEU 35 Ca -0.11 -0.63 -0.05 0.00 0.02 0.00 0.00 54.13 53.36 2br2 s LEU 35 Cb -0.07 -1.62 0.01 0.00 0.02 0.00 0.00 46.19 44.52 2br2 s LEU 35 CO -0.00 0.08 0.66 0.61 0.02 0.00 0.00 176.35 177.72 2br2 n GLY 36 N -0.19 -0.13 0.16 -3.19 0.00 0.50 -4.91 105.19 97.44 2br2 n GLY 36 Ca -0.10 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.37 1.61 3.04 -1.85 -3.44 116.25 110.73 2br2 h VAL 37 Ca -0.39 -0.97 -0.65 0.00 -1.01 0.00 0.00 66.70 63.68 2br2 h VAL 37 Cb 1.26 1.72 -0.25 0.00 -2.01 0.00 0.00 31.29 32.01 2br2 h VAL 37 CO 0.40 0.00 -0.71 -0.76 -1.01 0.00 0.00 177.57 175.49 2br2 s LEU 38 N -5.71 3.01 0.08 3.16 1.43 -1.26 -5.03 118.68 114.36 2br2 s LEU 38 Ca 0.04 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 2br2 s LEU 38 Cb 0.08 -1.74 -0.12 0.00 0.03 0.00 0.00 46.19 44.43 2br2 s LEU 38 CO 0.73 0.07 1.35 0.11 0.23 0.00 0.00 176.35 178.83 2br2 h LYS 39 N 7.42 0.67 -0.60 1.70 6.56 -2.00 -3.29 116.57 127.02 2br2 h LYS 39 Ca -0.35 -0.44 0.00 0.00 -1.06 0.00 0.00 60.65 58.80 2br2 h LYS 39 Cb 1.18 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2br2 h LYS 39 CO 0.60 1.06 0.00 0.09 -2.06 0.00 0.00 179.45 179.14 2br2 n ASN 40 N -4.19 3.09 -4.65 0.86 3.02 -1.26 -4.86 115.26 107.27 2br2 n ASN 40 Ca -0.06 -2.28 -0.23 0.00 -0.03 0.00 0.00 54.58 51.98 2br2 n ASN 40 Cb 0.56 -0.46 -0.07 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.74 3.16 0.07 5.41 0.00 -1.24 -5.04 121.76 122.38 2br2 s ALA 41 Ca 0.31 -1.63 0.12 0.00 0.00 0.00 0.00 51.96 50.76 2br2 s ALA 41 Cb 0.20 -0.79 0.08 0.00 0.00 0.00 0.00 23.12 22.60 2br2 s ALA 41 CO 0.14 0.28 1.44 -0.44 0.00 0.00 0.00 175.76 177.19 2br2 h ASP 42 N 1.96 0.00 -5.01 0.00 3.32 -1.39 -3.46 116.42 111.84 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 1.25 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.62 2br2 h ASP 42 CO 0.60 0.71 0.04 -0.83 -1.72 0.00 0.00 179.24 178.03 2br2 s GLY 43 N -4.55 -0.43 -0.09 2.75 0.00 -1.02 -3.77 107.32 100.20 2br2 s GLY 43 Ca 0.01 0.81 -0.29 0.00 0.00 0.00 0.00 44.72 45.26 2br2 s GLY 43 CO 0.77 0.51 0.66 -1.35 0.00 0.00 0.00 173.10 173.69 2br2 s SER 44 N -1.56 -0.65 -0.03 1.64 1.04 -1.25 -0.22 113.70 112.67 2br2 s SER 44 Ca -0.09 0.83 -0.12 0.00 0.48 0.00 0.00 55.95 57.05 2br2 s SER 44 Cb -0.01 0.72 0.02 0.00 0.10 0.00 0.00 66.02 66.85 2br2 s SER 44 CO 0.04 -0.52 0.27 0.00 0.98 0.00 0.00 173.24 174.01 2br2 s ALA 45 N -0.85 -0.67 -0.15 5.32 0.00 -0.62 -0.37 121.76 124.41 2br2 s ALA 45 Ca -0.09 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 2br2 s ALA 45 Cb -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2br2 s ALA 45 CO 0.08 -0.22 -0.07 0.42 0.00 0.00 0.00 175.76 175.97 2br2 s ILE 46 N -1.01 3.59 -0.08 0.00 1.01 0.44 -0.91 121.20 124.24 2br2 s ILE 46 Ca -0.11 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.12 2br2 s ILE 46 Cb -0.05 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.86 2br2 s ILE 46 CO 0.03 0.50 -0.21 0.12 0.00 0.00 0.00 174.94 175.37 2br2 s PHE 47 N 0.45 2.25 -0.11 3.97 5.36 -0.54 -1.45 117.98 127.91 2br2 s PHE 47 Ca -0.06 -0.83 0.01 0.00 -0.96 0.00 0.00 56.93 55.10 2br2 s PHE 47 Cb -0.15 -1.51 0.02 0.00 -0.34 0.00 0.00 43.02 41.04 2br2 s PHE 47 CO 0.03 -0.32 -0.14 -1.21 -1.46 0.00 0.00 175.22 172.13 2br2 s GLU 48 N 0.25 2.09 -0.28 10.12 2.02 0.79 -1.42 118.70 132.26 2br2 s GLU 48 Ca -0.13 -0.50 -0.02 0.00 0.02 0.00 0.00 54.97 54.34 2br2 s GLU 48 Cb -0.16 -1.85 0.04 0.00 0.10 0.00 0.00 34.13 32.26 2br2 s GLU 48 CO 0.06 -0.12 -0.02 -1.64 0.02 0.00 0.00 175.26 173.56 2br2 s MET 49 N 1.18 2.53 4.08 1.61 -1.94 -0.03 -1.04 119.30 125.69 2br2 s MET 49 Ca -0.03 -1.19 0.00 0.00 -1.71 0.00 0.00 55.69 52.76 2br2 s MET 49 Cb -0.14 -3.12 0.00 0.00 2.01 0.00 0.00 34.83 33.58 2br2 s MET 49 CO -0.04 -0.56 0.00 0.41 -0.01 0.00 0.00 175.02 174.82 2br2 n GLY 50 N 4.63 2.97 0.80 -0.03 0.00 0.80 -0.59 105.19 113.77 2br2 n GLY 50 Ca -0.14 0.29 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 6.30 2.53 -4.67 1.61 3.02 -1.26 -4.85 115.26 117.94 2br2 n ASN 51 Ca 0.00 -1.83 -0.41 0.00 -0.03 0.00 0.00 54.58 52.31 2br2 n ASN 51 Cb 0.00 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.14 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 -2.02 4.91 -0.06 3.41 2.01 0.24 -4.30 115.64 119.83 2br2 s THR 52 Ca 0.30 1.54 -0.01 0.00 0.31 0.00 0.00 61.69 63.84 2br2 s THR 52 Cb 0.20 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.64 2br2 s THR 52 CO 0.32 0.05 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.75 2br2 s LYS 53 N 2.09 0.64 0.07 4.92 1.02 -0.09 -0.85 119.74 127.54 2br2 s LYS 53 Ca 0.36 0.05 0.07 0.00 0.02 0.00 0.00 55.97 56.47 2br2 s LYS 53 Cb -0.16 -0.89 -0.03 0.00 -0.52 0.00 0.00 37.83 36.23 2br2 s LYS 53 CO 0.12 -0.23 -0.19 0.00 -0.92 0.00 0.00 175.35 174.13 2br2 s ALA 54 N 1.59 1.63 -0.06 5.17 0.00 -0.51 0.37 121.76 129.95 2br2 s ALA 54 Ca -0.01 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.89 2br2 s ALA 54 Cb -0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2br2 s ALA 54 CO -0.03 0.33 -0.19 -1.50 0.00 0.00 0.00 175.76 174.37 2br2 s ILE 55 N -1.03 2.66 -0.01 0.00 2.07 -0.13 -1.46 121.20 123.30 2br2 s ILE 55 Ca 0.05 -0.86 0.05 0.00 -1.41 0.00 0.00 60.65 58.48 2br2 s ILE 55 Cb -0.09 -2.02 -0.01 0.00 0.13 0.00 0.00 42.46 40.46 2br2 s ILE 55 CO 0.03 0.57 -0.16 0.00 -1.91 0.00 0.00 174.94 173.48 2br2 s ALA 56 N -0.41 1.30 -0.02 1.50 0.00 -0.09 -0.70 121.76 123.34 2br2 s ALA 56 Ca 0.04 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.37 2br2 s ALA 56 Cb -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 2br2 s ALA 56 CO 0.02 0.32 -0.14 0.00 0.00 0.00 0.00 175.76 175.95 2br2 s ALA 57 N -0.36 1.22 -0.12 0.00 0.00 0.08 -1.60 121.76 120.99 2br2 s ALA 57 Ca 0.06 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.43 2br2 s ALA 57 Cb -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2br2 s ALA 57 CO -0.01 0.28 -0.17 0.08 0.00 0.00 0.00 175.76 175.93 2br2 s VAL 58 N -0.21 2.66 -0.37 0.00 1.01 0.70 -0.82 120.40 123.35 2br2 s VAL 58 Ca 0.03 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 2br2 s VAL 58 Cb -0.07 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.31 2br2 s VAL 58 CO 0.00 0.54 0.15 -0.31 0.00 0.00 0.00 175.10 175.48 2br2 s TYR 59 N 0.31 3.38 1.44 5.22 1.51 -0.12 -0.99 117.35 128.11 2br2 s TYR 59 Ca -0.13 -1.86 -0.23 0.00 -1.01 0.00 0.00 57.07 53.83 2br2 s TYR 59 Cb -0.17 -2.69 0.37 0.00 -0.11 0.00 0.00 41.96 39.36 2br2 s TYR 59 CO 0.07 -0.85 0.85 0.41 -1.11 0.00 0.00 175.55 174.91 2br2 n GLY 60 N 4.73 -3.78 3.68 0.71 0.00 -1.26 -2.44 105.19 106.82 2br2 n GLY 60 Ca -0.09 -1.63 -0.46 0.00 0.00 0.00 0.00 46.02 43.84 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 -5.52 2.33 -3.76 1.61 -0.02 -1.26 -4.67 135.00 123.70 2br2 n PRO 61 Ca 0.13 0.84 -0.13 0.00 -2.02 0.00 0.00 63.50 62.32 2br2 n PRO 61 Cb 0.58 -2.66 -0.09 0.00 -0.02 0.00 0.00 33.50 31.31 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 2.05 0.61 0.29 -0.52 -2.85 -0.94 -4.95 119.74 113.43 2br2 s LYS 62 Ca 0.83 -0.01 -0.28 0.00 -1.00 0.00 0.00 55.97 55.50 2br2 s LYS 62 Cb -0.63 0.27 -0.14 0.00 -2.06 0.00 0.00 37.83 35.27 2br2 s LYS 62 CO 0.41 -0.15 1.02 0.39 0.10 0.00 0.00 175.35 177.11 2br2 n GLU 63 N 1.69 1.36 -3.58 1.78 1.02 -1.26 -0.15 120.64 121.50 2br2 n GLU 63 Ca -0.19 0.48 -0.36 0.00 -0.02 0.00 0.00 57.16 57.06 2br2 n GLU 63 Cb 0.56 -1.85 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.54 4.18 0.00 3.49 1.75 -1.18 -4.67 119.30 121.32 2br2 s MET 64 Ca 0.59 0.06 0.00 0.00 -1.25 0.00 0.00 55.69 55.09 2br2 s MET 64 Cb -0.70 -3.40 0.00 0.00 2.84 0.00 0.00 34.83 33.57 2br2 s MET 64 CO 0.60 0.30 0.73 -2.39 -0.65 0.00 0.00 175.02 173.61 2br2 n HIS 65 N 3.37 0.00 -3.24 4.11 1.44 -1.26 -3.82 115.22 115.82 2br2 n HIS 65 Ca -0.13 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.16 2br2 n HIS 65 Cb 0.52 -0.24 -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 3.54 0.44 -1.40 0.05 -1.26 -4.97 135.00 129.41 2br2 s PRO 66 Ca 0.00 -0.24 0.14 0.00 0.05 0.00 0.00 61.00 60.95 2br2 s PRO 66 Cb 0.00 -3.84 1.04 0.00 0.05 0.00 0.00 34.50 31.76 2br2 s PRO 66 CO 0.00 -0.70 2.00 -0.09 0.05 0.00 0.00 177.00 178.26 2br2 h ARG 67 N 8.53 0.37 0.00 4.56 2.43 -1.99 -1.13 114.38 127.15 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 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2br2 h ARG 67 CO 0.79 0.24 -0.00 1.12 -1.51 0.00 0.00 179.97 180.61 2br2 h HIS 68 N 0.38 0.00 -0.01 2.20 2.07 -1.93 -0.61 115.15 117.25 2br2 h HIS 68 Ca 0.24 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.76 2br2 h HIS 68 Cb 0.45 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.43 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 -3.09 0.80 -4.95 6.12 4.77 -0.43 -4.90 117.00 115.32 2br2 n LEU 69 Ca -0.03 -0.15 -0.26 0.00 -0.03 0.00 0.00 56.01 55.55 2br2 n LEU 69 Cb 0.09 -0.16 0.11 0.00 -2.33 0.00 0.00 43.42 41.13 2br2 n LEU 69 CO 0.21 0.15 0.64 -0.94 -1.33 0.00 0.00 177.39 176.12 2br2 s SER 70 N -2.55 4.31 0.05 -1.43 1.04 -0.24 -5.00 113.70 109.88 2br2 s SER 70 Ca 0.24 0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.88 2br2 s SER 70 Cb 0.19 -0.57 -0.03 0.00 0.10 0.00 0.00 66.02 65.71 2br2 s SER 70 CO 0.52 -1.91 -0.22 -0.76 0.98 0.00 0.00 173.24 171.86 2br2 s LEU 71 N -5.33 2.17 0.44 2.42 1.43 -1.26 -5.02 118.68 113.53 2br2 s LEU 71 Ca 0.65 -0.54 0.26 0.00 -1.03 0.00 0.00 54.13 53.46 2br2 s LEU 71 Cb -0.07 -1.03 0.62 0.00 0.03 0.00 0.00 46.19 45.73 2br2 s LEU 71 CO 0.46 0.18 1.71 1.55 0.23 0.00 0.00 176.35 180.47 2br2 h PRO 72 N 4.82 0.00 0.00 1.29 0.13 -1.97 -1.01 132.00 135.26 2br2 h PRO 72 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2br2 h PRO 72 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2br2 h PRO 72 CO 0.44 0.00 -0.60 -0.40 -0.23 0.00 0.00 178.00 177.21 2br2 n ASP 73 N -3.00 1.26 -4.01 1.44 5.75 -1.26 -4.60 116.55 112.13 2br2 n ASP 73 Ca 0.03 -0.46 -0.09 0.00 -0.01 0.00 0.00 54.79 54.27 2br2 n ASP 73 Cb 0.47 1.09 -0.08 0.00 -1.03 0.00 0.00 41.12 41.56 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 -1.86 0.91 0.37 0.11 0.52 -1.26 -4.38 118.95 113.37 2br2 s ARG 74 Ca 0.01 -1.20 -0.16 0.00 -0.52 0.00 0.00 55.73 53.86 2br2 s ARG 74 Cb 0.05 0.30 -0.09 0.00 0.52 0.00 0.00 34.95 35.73 2br2 s ARG 74 CO 0.27 -0.28 0.81 0.00 0.02 0.00 0.00 175.30 176.12 2br2 s ALA 75 N -3.95 3.23 -0.19 2.13 0.00 0.12 -2.81 121.76 120.29 2br2 s ALA 75 Ca 0.14 0.13 -0.14 0.00 0.00 0.00 0.00 51.96 52.09 2br2 s ALA 75 Cb 0.06 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2br2 s ALA 75 CO -0.04 0.21 0.30 0.08 0.00 0.00 0.00 175.76 176.31 2br2 s VAL 76 N -2.11 5.28 -0.04 0.00 1.01 -0.31 -4.92 120.40 119.30 2br2 s VAL 76 Ca 0.56 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.86 2br2 s VAL 76 Cb -0.10 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2br2 s VAL 76 CO 0.18 0.33 0.63 -0.76 0.00 0.00 0.00 175.10 175.48 2br2 s LEU 77 N 0.88 4.36 -0.22 3.92 1.43 -1.26 -0.80 118.68 126.99 2br2 s LEU 77 Ca 0.16 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 2br2 s LEU 77 Cb -0.14 -2.96 0.03 0.00 0.03 0.00 0.00 46.19 43.15 2br2 s LEU 77 CO 0.05 0.00 -0.12 -0.13 0.23 0.00 0.00 176.35 176.38 2br2 s ARG 78 N 0.30 2.81 -0.06 1.70 0.52 -0.47 -4.95 118.95 118.79 2br2 s ARG 78 Ca 0.33 -0.98 0.05 0.00 -0.52 0.00 0.00 55.73 54.62 2br2 s ARG 78 Cb -0.18 -2.81 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 2br2 s ARG 78 CO 0.17 -0.35 -0.22 0.08 0.02 0.00 0.00 175.30 175.00 2br2 s VAL 79 N 1.27 1.85 -0.19 3.52 1.01 -1.26 -0.19 120.40 126.42 2br2 s VAL 79 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2br2 s VAL 79 Cb -0.16 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.68 2br2 s VAL 79 CO -0.08 0.52 -0.16 -0.60 0.00 0.00 0.00 175.10 174.78 2br2 s ARG 80 N -0.06 2.57 -0.26 2.72 3.52 -0.55 -4.91 118.95 121.98 2br2 s ARG 80 Ca -0.05 -0.84 -0.10 0.00 -0.13 0.00 0.00 55.73 54.61 2br2 s ARG 80 Cb -0.13 -2.48 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 2br2 s ARG 80 CO 0.04 -0.30 0.16 -0.47 -0.81 0.00 0.00 175.30 173.92 2br2 s TYR 81 N 1.33 3.22 -0.05 5.12 5.04 -1.26 -1.01 117.35 129.74 2br2 s TYR 81 Ca 0.02 0.07 -0.05 0.00 -2.44 0.00 0.00 57.07 54.67 2br2 s TYR 81 Cb -0.14 -2.33 0.01 0.00 0.35 0.00 0.00 41.96 39.85 2br2 s TYR 81 CO -0.11 -0.13 0.14 -1.58 -1.34 0.00 0.00 175.55 172.53 2br2 s HIS 82 N 1.56 -0.15 -0.20 4.97 2.46 -0.98 -4.81 115.29 118.14 2br2 s HIS 82 Ca 0.07 0.36 -0.07 0.00 0.47 0.00 0.00 55.06 55.89 2br2 s HIS 82 Cb -0.15 0.05 -0.04 0.00 -0.13 0.00 0.00 32.58 32.31 2br2 s HIS 82 CO 0.08 -0.08 0.05 -1.64 -2.47 0.00 0.00 174.74 170.69 2br2 s MET 83 N 0.05 3.83 0.51 2.88 1.00 -1.26 0.16 119.30 126.47 2br2 s MET 83 Ca -0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 55.69 55.06 2br2 s MET 83 Cb -0.01 -3.22 -0.06 0.00 0.00 0.00 0.00 34.83 31.54 2br2 s MET 83 CO 0.00 0.11 1.24 0.95 0.00 0.00 0.00 175.02 177.32 2br2 s THR 84 N 0.79 2.69 0.63 2.05 -4.23 -0.73 -4.83 115.64 112.00 2br2 s THR 84 Ca 0.03 0.50 0.36 0.00 -1.18 0.00 0.00 61.69 61.40 2br2 s THR 84 Cb -0.14 -3.24 0.39 0.00 1.34 0.00 0.00 72.50 70.85 2br2 s THR 84 CO 0.02 -0.02 2.23 -0.65 -0.54 0.00 0.00 174.62 175.66 2br2 h PRO 85 N 1.65 0.00 -0.53 3.99 0.11 -1.91 -1.61 132.00 133.71 2br2 h PRO 85 Ca -0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 2br2 h PRO 85 Cb 1.27 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.31 2br2 h PRO 85 CO 0.58 0.00 0.12 1.97 -0.21 0.00 0.00 178.00 180.46 2br2 n PHE 86 N -3.41 1.81 0.50 0.65 1.16 -1.26 -2.24 117.46 114.67 2br2 n PHE 86 Ca -0.02 -1.11 0.12 0.00 -1.87 0.00 0.00 57.45 54.57 2br2 n PHE 86 Cb 0.16 -0.54 0.20 0.00 -1.61 0.00 0.00 39.48 37.69 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 2.36 0.00 -2.08 5.98 4.64 -1.43 -3.46 113.55 119.56 2br2 h SER 87 Ca 0.15 -0.13 -0.58 0.00 -0.47 0.00 0.00 61.79 60.77 2br2 h SER 87 Cb 1.96 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.92 2br2 h SER 87 CO 0.52 0.06 -0.57 0.42 -0.87 0.00 0.00 176.83 176.39 2br2 s THR 88 N -3.18 1.39 0.13 2.95 -4.23 -1.26 -0.24 115.64 111.19 2br2 s THR 88 Ca 0.06 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.43 2br2 s THR 88 Cb 0.12 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 2br2 s THR 88 CO 0.70 0.00 1.58 0.44 -0.54 0.00 0.00 174.62 176.80 2br2 h ASP 89 N 1.79 0.69 -2.86 3.99 3.32 -1.91 -3.41 116.42 118.02 2br2 h ASP 89 Ca -0.42 -0.30 -0.64 0.00 0.02 0.00 0.00 57.03 55.70 2br2 h ASP 89 Cb 1.26 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.56 2br2 h ASP 89 CO 0.73 0.82 -0.37 -1.61 -1.72 0.00 0.00 179.24 177.09 2br2 s GLU 90 N -5.04 3.72 0.08 3.56 2.02 -1.26 -5.04 118.70 116.74 2br2 s GLU 90 Ca -0.13 0.08 -0.31 0.00 0.02 0.00 0.00 54.97 54.63 2br2 s GLU 90 Cb 0.10 -3.23 -0.09 0.00 0.10 0.00 0.00 34.13 31.01 2br2 s GLU 90 CO 0.79 0.67 1.79 0.50 0.02 0.00 0.00 175.26 179.03 2br2 s ARG 91 N -0.83 4.16 0.15 1.61 3.52 -1.26 -4.92 118.95 121.37 2br2 s ARG 91 Ca 0.18 2.49 -0.30 0.00 -0.13 0.00 0.00 55.73 57.96 2br2 s ARG 91 Cb -0.14 -3.74 -0.07 0.00 -1.56 0.00 0.00 34.95 29.45 2br2 s ARG 91 CO 0.07 -0.83 0.96 0.15 -0.81 0.00 0.00 175.30 174.84 2br2 s LYS 92 N 3.14 4.74 0.12 5.12 1.02 -0.95 -5.03 119.74 127.90 2br2 s LYS 92 Ca 0.80 1.47 -0.31 0.00 0.02 0.00 0.00 55.97 57.95 2br2 s LYS 92 Cb -0.42 -3.35 -0.09 0.00 -0.52 0.00 0.00 37.83 33.45 2br2 s LYS 92 CO 0.36 0.30 1.66 1.21 -0.92 0.00 0.00 175.35 177.95 2br2 s ASN 93 N -0.34 6.56 0.54 2.83 3.84 -1.26 -4.29 114.94 122.82 2br2 s ASN 93 Ca 0.45 2.59 0.31 0.00 0.21 0.00 0.00 52.86 56.42 2br2 s ASN 93 Cb -0.24 -2.58 1.53 0.00 -0.55 0.00 0.00 41.25 39.42 2br2 s ASN 93 CO 0.31 -0.89 2.08 1.55 -2.79 0.00 0.00 177.10 177.36 2br2 h PRO 94 N 7.80 0.00 -6.72 0.43 0.13 -1.96 -3.44 132.00 128.24 2br2 h PRO 94 Ca -0.43 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.13 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 0.09 0.58 0.00 -0.23 0.00 0.00 178.00 179.37 2br2 n ALA 95 N -2.22 1.43 -2.12 -0.56 0.00 -1.26 -4.89 120.51 110.89 2br2 n ALA 95 Ca -0.01 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 2br2 n ALA 95 Cb 0.24 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 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 -1.39 4.37 0.52 0.00 0.02 -1.26 -5.00 135.00 132.25 2br2 s PRO 96 Ca 0.59 2.02 -0.05 0.00 0.02 0.00 0.00 61.00 63.59 2br2 s PRO 96 Cb -0.58 -3.23 -0.02 0.00 0.02 0.00 0.00 34.50 30.69 2br2 s PRO 96 CO 0.58 -0.32 0.81 -1.54 -0.33 0.00 0.00 177.00 176.20 2br2 s SER 97 N 0.71 5.96 0.28 2.53 1.04 -1.26 -4.91 113.70 118.04 2br2 s SER 97 Ca 0.60 0.76 0.01 0.00 0.48 0.00 0.00 55.95 57.80 2br2 s SER 97 Cb -0.36 -1.95 0.59 0.00 0.10 0.00 0.00 66.02 64.40 2br2 s SER 97 CO 0.34 -0.77 1.79 0.03 0.98 0.00 0.00 173.24 175.61 2br2 h ARG 98 N 0.10 0.77 -0.34 4.02 3.08 -1.99 0.45 114.38 120.48 2br2 h ARG 98 Ca -0.46 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 59.58 2br2 h ARG 98 Cb 1.23 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 2br2 h ARG 98 CO 0.61 0.51 0.10 -0.09 -1.07 0.00 0.00 179.97 180.03 2br2 h ARG 99 N 0.79 0.23 -0.58 0.04 2.43 -1.99 -0.34 114.38 114.96 2br2 h ARG 99 Ca 0.50 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.60 2br2 h ARG 99 Cb 0.66 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2br2 h ARG 99 CO -0.33 0.15 0.13 0.93 -1.51 0.00 0.00 179.97 179.34 2br2 h GLU 100 N 0.24 0.90 -0.10 0.20 5.08 -1.56 -0.43 114.58 118.91 2br2 h GLU 100 Ca 0.16 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2br2 h GLU 100 Cb 0.15 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2br2 h GLU 100 CO -0.17 0.81 0.04 0.82 -1.00 0.00 0.00 179.01 179.51 2br2 h ILE 101 N 0.86 1.14 0.10 3.13 2.04 -0.57 -0.83 117.51 123.38 2br2 h ILE 101 Ca 0.18 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2br2 h ILE 101 Cb 0.33 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2br2 h ILE 101 CO 0.00 0.12 -0.05 -0.08 0.00 0.00 0.00 178.15 178.14 2br2 h GLU 102 N 0.01 -0.13 -0.10 2.37 4.81 -0.87 -2.84 114.58 117.82 2br2 h GLU 102 Ca 0.03 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2br2 h GLU 102 Cb 0.16 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2br2 h GLU 102 CO -0.00 -0.07 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.01 2br2 h LEU 103 N -0.17 0.15 -0.56 1.64 3.38 -1.04 -0.35 115.31 118.36 2br2 h LEU 103 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2br2 h LEU 103 Cb 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2br2 h LEU 103 CO 0.02 0.30 0.31 0.28 0.09 0.00 0.00 178.44 179.45 2br2 h SER 104 N 0.15 0.70 0.18 -0.43 0.02 -1.03 0.46 113.55 113.61 2br2 h SER 104 Ca 0.03 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2br2 h SER 104 Cb 0.33 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2br2 h SER 104 CO 0.02 0.59 -0.09 0.50 -1.14 0.00 0.00 176.83 176.71 2br2 h LYS 105 N 0.76 -0.24 -0.65 3.45 3.64 -1.02 0.58 116.57 123.10 2br2 h LYS 105 Ca 0.20 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.67 2br2 h LYS 105 Cb 0.04 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 2br2 h LYS 105 CO -0.03 0.02 0.33 0.28 -2.27 0.00 0.00 179.45 177.78 2br2 h VAL 106 N -0.48 0.91 -0.35 2.00 2.07 -0.96 -0.42 116.25 119.02 2br2 h VAL 106 Ca -0.03 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 2br2 h VAL 106 Cb 0.37 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2br2 h VAL 106 CO 0.04 0.11 0.03 0.40 0.02 0.00 0.00 177.57 178.17 2br2 h ILE 107 N 0.60 1.25 -0.51 4.57 2.04 -0.83 -2.16 117.51 122.47 2br2 h ILE 107 Ca 0.30 -0.91 0.07 0.00 1.00 0.00 0.00 64.86 65.33 2br2 h ILE 107 Cb 0.25 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 2br2 h ILE 107 CO -0.22 0.30 0.17 -0.09 0.00 0.00 0.00 178.15 178.32 2br2 h ARG 108 N 0.42 0.33 -0.50 2.37 2.43 -0.03 -1.27 114.38 118.12 2br2 h ARG 108 Ca 0.10 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 2br2 h ARG 108 Cb 0.41 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2br2 h ARG 108 CO 0.01 0.22 -0.02 0.93 -1.51 0.00 0.00 179.97 179.61 2br2 h GLU 109 N 0.34 0.86 -0.45 0.20 5.08 -0.98 0.28 114.58 119.91 2br2 h GLU 109 Ca 0.25 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2br2 h GLU 109 Cb 0.28 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2br2 h GLU 109 CO -0.27 0.87 0.23 0.00 -1.00 0.00 0.00 179.01 178.84 2br2 h ALA 110 N 1.18 0.57 -0.26 3.43 0.00 -0.73 -2.53 119.26 120.93 2br2 h ALA 110 Ca 0.15 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2br2 h ALA 110 Cb 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2br2 h ALA 110 CO 0.02 -0.12 -0.26 -0.07 0.00 0.00 0.00 179.25 178.82 2br2 h LEU 111 N 0.45 0.52 -1.64 0.00 3.38 -0.37 -2.89 115.31 114.76 2br2 h LEU 111 Ca 0.20 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2br2 h LEU 111 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2br2 h LEU 111 CO -0.14 0.77 -0.20 -0.33 0.09 0.00 0.00 178.44 178.63 2br2 h GLU 112 N 0.45 0.00 0.00 1.13 5.08 -0.56 0.13 114.58 120.82 2br2 h GLU 112 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2br2 h GLU 112 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2br2 h GLU 112 CO 0.05 0.20 0.00 -1.13 -1.00 0.00 0.00 179.01 177.13 2br2 n SER 113 N -3.94 0.46 -0.08 1.42 3.41 -1.05 -3.95 113.62 109.89 2br2 n SER 113 Ca -0.02 0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 59.03 2br2 n SER 113 Cb 0.29 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.48 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 1.65 -2.57 7.33 0.00 -0.20 -4.85 120.51 120.20 2br2 n ALA 114 Ca 0.05 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 2br2 n ALA 114 Cb 0.35 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.33 4.64 -1.35 0.00 1.01 0.30 0.21 120.40 122.87 2br2 s VAL 115 Ca -0.23 1.94 -0.16 0.00 0.00 0.00 0.00 61.98 63.54 2br2 s VAL 115 Cb 0.06 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.21 2br2 s VAL 115 CO 0.38 0.18 2.13 0.18 0.00 0.00 0.00 175.10 177.97 2br2 n LEU 116 N 3.69 6.23 0.29 3.92 4.77 -0.82 -4.75 117.00 130.33 2br2 n LEU 116 Ca 0.06 -3.95 0.15 0.00 -0.03 0.00 0.00 56.01 52.24 2br2 n LEU 116 Cb 0.50 -1.61 0.88 0.00 -2.33 0.00 0.00 43.42 40.86 2br2 n LEU 116 CO 0.53 0.76 1.08 -0.37 -1.33 0.00 0.00 177.39 178.05 2br2 h VAL 117 N 4.29 0.47 0.00 4.08 -1.51 -1.89 -2.50 116.25 119.19 2br2 h VAL 117 Ca 0.53 -0.21 -0.02 0.00 -1.23 0.00 0.00 66.70 65.78 2br2 h VAL 117 Cb 0.68 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.97 2br2 h VAL 117 CO 1.83 0.04 -0.07 -0.33 -1.23 0.00 0.00 177.57 177.81 2br2 h GLU 118 N 0.00 0.00 0.00 5.19 3.07 -1.86 0.59 114.58 121.57 2br2 h GLU 118 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2br2 h GLU 118 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2br2 h GLU 118 CO 0.01 0.07 0.00 -0.07 -1.40 0.00 0.00 179.01 177.62 2br2 h LEU 119 N 0.00 0.00 -6.04 1.33 4.07 -1.72 -3.37 115.31 109.58 2br2 h LEU 119 Ca -0.00 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.39 2br2 h LEU 119 Cb 0.23 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 41.57 2br2 h LEU 119 CO 0.01 0.00 -0.87 0.49 -1.08 0.00 0.00 178.44 176.99 2br2 n PHE 120 N -2.92 1.62 -1.86 1.13 3.01 -0.73 -5.04 117.46 112.67 2br2 n PHE 120 Ca -0.00 -3.85 -0.37 0.00 1.01 0.00 0.00 57.45 54.24 2br2 n PHE 120 Cb 0.21 -0.45 0.05 0.00 -0.01 0.00 0.00 39.48 39.28 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 -1.94 2.75 -0.47 -1.08 0.02 -1.26 -2.39 135.00 130.63 2br2 s PRO 121 Ca 0.38 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.37 2br2 s PRO 121 Cb 0.18 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.81 2br2 s PRO 121 CO -0.07 -1.42 0.00 0.54 -0.33 0.00 0.00 177.00 175.72 2br2 n ARG 122 N -1.74 -1.19 -4.31 5.54 5.12 -0.38 -4.87 116.66 114.83 2br2 n ARG 122 Ca 0.15 0.54 -0.24 0.00 -1.93 0.00 0.00 57.85 56.37 2br2 n ARG 122 Cb 0.49 -4.55 -0.08 0.00 -1.16 0.00 0.00 32.46 27.15 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 -1.73 2.74 0.02 0.55 -4.23 -1.18 -3.12 115.64 108.69 2br2 s THR 123 Ca 0.00 -1.95 0.07 0.00 -1.18 0.00 0.00 61.69 58.64 2br2 s THR 123 Cb 0.00 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 2br2 s THR 123 CO 0.00 -0.22 -0.22 0.00 -0.54 0.00 0.00 174.62 173.64 2br2 s ALA 124 N -2.49 2.41 -0.24 3.99 0.00 0.79 -1.17 121.76 125.05 2br2 s ALA 124 Ca 0.35 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 2br2 s ALA 124 Cb -0.01 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2br2 s ALA 124 CO 0.20 0.55 -0.06 0.42 0.00 0.00 0.00 175.76 176.87 2br2 s ILE 125 N -0.80 3.00 -0.21 0.00 1.01 0.02 -2.22 121.20 121.99 2br2 s ILE 125 Ca 0.12 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 2br2 s ILE 125 Cb -0.10 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 2br2 s ILE 125 CO 0.02 0.28 0.26 -1.81 0.00 0.00 0.00 174.94 173.69 2br2 s ASP 126 N 1.37 6.27 -0.24 3.58 1.01 -1.02 -1.37 116.67 126.27 2br2 s ASP 126 Ca 0.02 0.31 0.03 0.00 0.71 0.00 0.00 52.55 53.62 2br2 s ASP 126 Cb -0.16 -2.16 0.05 0.00 1.01 0.00 0.00 42.92 41.67 2br2 s ASP 126 CO -0.04 0.02 -0.13 -0.69 0.21 0.00 0.00 175.17 174.54 2br2 s VAL 127 N 1.04 2.13 -0.15 -1.27 1.01 0.74 -0.94 120.40 122.95 2br2 s VAL 127 Ca 0.13 -1.47 -0.03 0.00 0.00 0.00 0.00 61.98 60.60 2br2 s VAL 127 Cb -0.14 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2br2 s VAL 127 CO 0.05 0.10 -0.04 -0.36 0.00 0.00 0.00 175.10 174.85 2br2 s PHE 128 N 1.15 3.02 -0.06 5.22 0.40 -0.00 -1.49 117.98 126.22 2br2 s PHE 128 Ca -0.06 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 2br2 s PHE 128 Cb -0.18 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.40 2br2 s PHE 128 CO -0.07 -0.02 -0.17 0.99 0.70 0.00 0.00 175.22 176.65 2br2 s THR 129 N 0.31 1.48 -0.09 0.64 2.01 -0.18 -0.74 115.64 119.07 2br2 s THR 129 Ca -0.04 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.26 2br2 s THR 129 Cb -0.14 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.09 2br2 s THR 129 CO 0.03 0.43 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.68 2br2 s GLU 130 N 0.29 1.57 -0.29 4.92 0.41 0.12 -2.32 118.70 123.41 2br2 s GLU 130 Ca -0.10 -0.32 -0.26 0.00 -0.41 0.00 0.00 54.97 53.88 2br2 s GLU 130 Cb -0.14 -1.47 0.00 0.00 -1.78 0.00 0.00 34.13 30.74 2br2 s GLU 130 CO 0.04 -0.13 0.90 0.42 -0.49 0.00 0.00 175.26 176.00 2br2 s ILE 131 N 1.21 4.71 -0.08 -1.63 1.09 0.12 -0.95 121.20 125.67 2br2 s ILE 131 Ca -0.04 1.50 0.07 0.00 -1.10 0.00 0.00 60.65 61.07 2br2 s ILE 131 Cb -0.14 -4.23 -0.24 0.00 -1.06 0.00 0.00 42.46 36.79 2br2 s ILE 131 CO -0.03 -0.27 0.50 0.18 -0.10 0.00 0.00 174.94 175.22 2br2 n LEU 132 N 6.36 1.44 -3.84 2.97 4.77 0.16 -1.78 117.00 127.07 2br2 n LEU 132 Ca 0.07 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.23 2br2 n LEU 132 Cb 0.47 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 2br2 n LEU 132 CO 0.52 0.56 -0.28 -1.10 -1.33 0.00 0.00 177.39 175.77 2br2 s GLN 133 N -2.58 0.09 -0.15 3.23 -0.21 -1.11 -4.08 119.66 114.86 2br2 s GLN 133 Ca -0.12 0.12 -0.02 0.00 0.02 0.00 0.00 55.36 55.36 2br2 s GLN 133 Cb 0.07 0.03 -0.02 0.00 1.00 0.00 0.00 33.01 34.10 2br2 s GLN 133 CO 0.80 -0.02 -0.09 0.00 -2.12 0.00 0.00 175.29 173.86 2br2 s ALA 134 N 0.10 2.77 -0.32 6.09 0.00 0.67 -0.92 121.76 130.15 2br2 s ALA 134 Ca -0.00 -0.89 0.18 0.00 0.00 0.00 0.00 51.96 51.25 2br2 s ALA 134 Cb -0.01 -1.37 0.46 0.00 0.00 0.00 0.00 23.12 22.20 2br2 s ALA 134 CO -0.00 0.19 1.10 -3.47 0.00 0.00 0.00 175.76 173.58 2br2 n ASP 135 N 3.62 0.77 -0.65 0.00 2.03 -1.26 -4.79 116.55 116.27 2br2 n ASP 135 Ca -0.18 -2.44 0.00 0.00 0.52 0.00 0.00 54.79 52.69 2br2 n ASP 135 Cb 0.52 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 -0.41 -1.39 -0.81 -1.67 0.00 -1.26 -3.42 120.51 111.55 2br2 n ALA 136 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2br2 n ALA 136 Cb 0.82 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.44 0.58 0.22 0.00 0.00 -1.26 -4.77 105.19 98.52 2br2 n GLY 137 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.02 -0.83 1.61 0.02 -1.95 -1.61 113.55 110.78 2br2 h SER 138 Ca 0.00 0.11 0.10 0.00 -0.84 0.00 0.00 61.79 61.15 2br2 h SER 138 Cb 0.00 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 2br2 h SER 138 CO 0.00 0.01 0.54 0.08 -1.14 0.00 0.00 176.83 176.32 2br2 h ARG 139 N 0.24 0.76 0.07 3.45 0.11 -1.99 0.20 114.38 117.23 2br2 h ARG 139 Ca 0.29 -0.05 -0.29 0.00 0.10 0.00 0.00 59.98 60.04 2br2 h ARG 139 Cb 0.43 -0.17 0.03 0.00 1.11 0.00 0.00 29.97 31.36 2br2 h ARG 139 CO -0.39 0.51 -1.16 -0.07 0.10 0.00 0.00 179.97 178.96 2br2 h LEU 140 N 0.79 0.90 -0.34 0.08 3.38 -1.73 -1.25 115.31 117.14 2br2 h LEU 140 Ca 0.39 -0.78 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2br2 h LEU 140 Cb 0.44 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2br2 h LEU 140 CO -0.16 1.58 0.15 0.58 0.09 0.00 0.00 178.44 180.68 2br2 h VAL 141 N 0.33 1.18 -0.42 1.22 2.07 -0.75 0.20 116.25 120.08 2br2 h VAL 141 Ca -0.16 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 66.87 2br2 h VAL 141 Cb 1.82 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 2br2 h VAL 141 CO 0.22 0.19 0.20 -1.28 0.02 0.00 0.00 177.57 176.92 2br2 h SER 142 N 0.41 0.27 -0.51 0.57 0.87 -0.64 0.12 113.55 114.64 2br2 h SER 142 Ca 0.11 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2br2 h SER 142 Cb 0.16 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2br2 h SER 142 CO -0.01 0.20 0.29 0.25 -0.53 0.00 0.00 176.83 177.02 2br2 h LEU 143 N 0.40 0.63 -0.34 2.23 5.85 -0.89 -0.79 115.31 122.39 2br2 h LEU 143 Ca 0.18 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 2br2 h LEU 143 Cb 0.11 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2br2 h LEU 143 CO -0.14 0.52 -0.17 0.24 -0.34 0.00 0.00 178.44 178.55 2br2 h MET 144 N 0.68 0.72 -0.62 1.25 2.86 -0.66 -0.06 114.93 119.11 2br2 h MET 144 Ca 0.18 -0.32 0.09 0.00 -2.06 0.00 0.00 59.70 57.59 2br2 h MET 144 Cb 0.03 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 2br2 h MET 144 CO -0.03 0.92 0.25 0.00 1.06 0.00 0.00 176.91 179.11 2br2 h ALA 145 N 0.78 0.81 0.00 6.32 0.00 -0.61 -0.39 119.26 126.17 2br2 h ALA 145 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2br2 h ALA 145 Cb 0.71 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2br2 h ALA 145 CO 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 179.25 179.10 2br2 h ALA 146 N 1.41 -0.05 -0.47 0.00 0.00 -0.78 0.72 119.26 120.08 2br2 h ALA 146 Ca 0.31 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.30 2br2 h ALA 146 Cb 0.35 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2br2 h ALA 146 CO -0.28 -0.54 0.10 1.03 0.00 0.00 0.00 179.25 179.55 2br2 h SER 147 N -0.09 0.02 0.21 0.00 0.87 -0.31 -0.46 113.55 113.80 2br2 h SER 147 Ca 0.02 0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.51 2br2 h SER 147 Cb 0.11 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2br2 h SER 147 CO -0.05 0.04 -0.58 -0.07 -0.53 0.00 0.00 176.83 175.64 2br2 h LEU 148 N 0.24 0.42 -0.97 2.23 3.38 -0.85 -1.89 115.31 117.87 2br2 h LEU 148 Ca 0.24 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2br2 h LEU 148 Cb 0.30 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2br2 h LEU 148 CO -0.30 0.91 0.32 0.00 0.09 0.00 0.00 178.44 179.45 2br2 h ALA 149 N 1.10 1.19 -0.47 1.53 0.00 -0.06 0.28 119.26 122.82 2br2 h ALA 149 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2br2 h ALA 149 Cb 1.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2br2 h ALA 149 CO 0.10 0.60 0.10 -0.07 0.00 0.00 0.00 179.25 179.98 2br2 h LEU 150 N 1.04 0.72 -0.40 0.00 3.38 -0.78 0.52 115.31 119.80 2br2 h LEU 150 Ca 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2br2 h LEU 150 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2br2 h LEU 150 CO -0.03 0.78 0.27 0.00 0.09 0.00 0.00 178.44 179.55 2br2 h ALA 151 N 0.97 0.51 -0.49 1.53 0.00 -0.99 -1.73 119.26 119.06 2br2 h ALA 151 Ca 0.15 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2br2 h ALA 151 Cb 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2br2 h ALA 151 CO 0.00 -0.03 0.33 0.22 0.00 0.00 0.00 179.25 179.77 2br2 h ASP 152 N 0.54 0.44 0.74 0.00 3.58 -0.01 0.83 116.42 122.55 2br2 h ASP 152 Ca 0.15 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2br2 h ASP 152 Cb -0.06 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2br2 h ASP 152 CO -0.03 0.30 0.00 0.00 -2.88 0.00 0.00 179.24 176.63 2br2 n ALA 153 N -2.49 2.27 -1.50 -0.78 0.00 0.14 -4.73 120.51 113.42 2br2 n ALA 153 Ca 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 2br2 n ALA 153 Cb 0.18 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 1.14 0.55 3.66 0.00 0.00 0.29 -4.89 105.19 105.93 2br2 n GLY 154 Ca 0.09 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.21 4.85 0.23 -0.61 1.01 -0.71 -5.00 121.20 118.75 2br2 s ILE 155 Ca 0.00 1.62 -0.31 0.00 0.00 0.00 0.00 60.65 61.96 2br2 s ILE 155 Cb 0.00 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.23 2br2 s ILE 155 CO 0.00 -0.04 1.58 -2.84 0.00 0.00 0.00 174.94 173.65 2br2 s PRO 156 N 2.56 4.18 0.15 2.79 0.02 -1.26 -4.51 135.00 138.93 2br2 s PRO 156 Ca 0.37 2.47 0.02 0.00 0.02 0.00 0.00 61.00 63.87 2br2 s PRO 156 Cb -0.16 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 2br2 s PRO 156 CO 0.09 -0.61 -0.03 -1.64 -0.33 0.00 0.00 177.00 174.49 2br2 s MET 157 N 0.35 1.03 0.20 5.54 -1.94 -1.26 -1.94 119.30 121.27 2br2 s MET 157 Ca 0.67 -1.47 -0.08 0.00 -1.71 0.00 0.00 55.69 53.10 2br2 s MET 157 Cb -0.46 -0.29 0.12 0.00 2.01 0.00 0.00 34.83 36.21 2br2 s MET 157 CO 0.39 -0.07 1.71 0.00 -0.01 0.00 0.00 175.02 177.03 2br2 h ARG 158 N 2.78 1.12 -2.30 2.03 3.08 -0.57 -3.47 114.38 117.05 2br2 h ARG 158 Ca -0.36 -0.29 0.19 0.00 0.07 0.00 0.00 59.98 59.59 2br2 h ARG 158 Cb 1.19 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 2br2 h ARG 158 CO 0.63 1.01 0.52 0.34 -1.07 0.00 0.00 179.97 181.41 2br2 s ASP 159 N -6.49 -0.14 0.84 7.04 2.15 -1.26 -5.02 116.67 113.80 2br2 s ASP 159 Ca -0.12 -0.44 -0.12 0.00 0.43 0.00 0.00 52.55 52.31 2br2 s ASP 159 Cb 0.15 0.47 0.10 0.00 -0.30 0.00 0.00 42.92 43.33 2br2 s ASP 159 CO 0.85 -0.88 1.11 -0.76 -0.17 0.00 0.00 175.17 175.33 2br2 s LEU 160 N -3.02 2.35 -0.14 -1.34 1.43 -1.26 -4.94 118.68 111.77 2br2 s LEU 160 Ca 0.14 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 2br2 s LEU 160 Cb -0.01 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2br2 s LEU 160 CO 0.02 -2.21 -0.16 -0.63 0.23 0.00 0.00 176.35 173.60 2br2 s ILE 161 N -3.21 2.67 0.04 -0.59 1.01 -1.26 -4.13 121.20 115.73 2br2 s ILE 161 Ca 0.62 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 60.57 2br2 s ILE 161 Cb -0.15 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2br2 s ILE 161 CO 0.54 0.53 -0.23 0.00 0.00 0.00 0.00 174.94 175.77 2br2 s ALA 162 N 0.58 2.00 0.01 9.38 0.00 -0.46 -4.64 121.76 128.62 2br2 s ALA 162 Ca -0.10 -1.16 -0.15 0.00 0.00 0.00 0.00 51.96 50.55 2br2 s ALA 162 Cb -0.16 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.58 2br2 s ALA 162 CO 0.03 0.46 0.32 0.20 0.00 0.00 0.00 175.76 176.77 2br2 s GLY 163 N -1.21 -0.15 0.02 0.00 0.00 -1.26 -0.69 107.32 104.02 2br2 s GLY 163 Ca 0.10 0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.99 2br2 s GLY 163 CO 0.02 0.03 0.13 -1.34 0.00 0.00 0.00 173.10 171.93 2br2 s VAL 164 N -1.75 0.10 -0.18 1.40 -7.23 -0.43 -4.90 120.40 107.42 2br2 s VAL 164 Ca -0.11 -0.86 -0.19 0.00 -1.81 0.00 0.00 61.98 59.02 2br2 s VAL 164 Cb -0.04 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 2br2 s VAL 164 CO 0.02 -0.47 0.53 0.00 -0.31 0.00 0.00 175.10 174.86 2br2 s ALA 165 N -1.95 3.52 0.26 1.32 0.00 -1.26 -1.02 121.76 122.63 2br2 s ALA 165 Ca -0.10 -0.33 0.08 0.00 0.00 0.00 0.00 51.96 51.61 2br2 s ALA 165 Cb -0.05 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 2br2 s ALA 165 CO -0.01 -0.35 0.16 0.54 0.00 0.00 0.00 175.76 176.09 2br2 s VAL 166 N 1.44 4.18 0.00 0.00 0.11 -0.42 0.14 120.40 125.85 2br2 s VAL 166 Ca 0.25 -1.52 0.00 0.00 -2.93 0.00 0.00 61.98 57.79 2br2 s VAL 166 Cb -0.15 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 2br2 s VAL 166 CO 0.10 -0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.13 2br2 n GLY 167 N -1.13 1.52 2.89 6.54 0.00 -0.08 0.30 105.19 115.22 2br2 n GLY 167 Ca -0.07 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.80 1.16 0.00 1.61 2.20 -1.08 -0.80 119.74 121.02 2br2 s LYS 168 Ca 0.00 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2br2 s LYS 168 Cb 0.00 -1.22 0.00 0.00 -1.51 0.00 0.00 37.83 35.10 2br2 s LYS 168 CO 0.00 -0.18 0.00 0.00 -0.36 0.00 0.00 175.35 174.81 2br2 n ALA 169 N 4.58 0.05 -2.91 3.13 0.00 0.38 -0.73 120.51 125.01 2br2 n ALA 169 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.00 2br2 n ALA 169 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 2br2 n ALA 169 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2br2 n ASP 170 N -1.31 4.70 0.00 0.00 8.00 -1.26 -4.21 116.55 122.46 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 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 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 -0.24 2.61 3.74 0.44 0.00 -1.26 -4.95 105.19 105.52 2br2 n GLY 171 Ca 0.32 0.00 -0.36 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 -2.82 5.39 -0.04 1.61 1.01 -1.26 -5.06 120.40 119.23 2br2 s VAL 172 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 2br2 s VAL 172 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2br2 s VAL 172 CO 0.00 0.45 1.11 -0.63 0.00 0.00 0.00 175.10 176.03 2br2 s ILE 173 N 0.25 4.46 0.13 2.22 1.01 -1.26 -0.47 121.20 127.55 2br2 s ILE 173 Ca 0.11 1.77 0.05 0.00 0.00 0.00 0.00 60.65 62.58 2br2 s ILE 173 Cb -0.12 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2br2 s ILE 173 CO 0.00 0.05 -0.13 0.27 0.00 0.00 0.00 174.94 175.13 2br2 s ILE 174 N 1.77 1.27 -0.14 2.92 -4.36 0.02 -4.81 121.20 117.87 2br2 s ILE 174 Ca 0.54 -1.83 -0.02 0.00 -0.26 0.00 0.00 60.65 59.08 2br2 s ILE 174 Cb -0.23 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.83 2br2 s ILE 174 CO 0.23 -0.53 -0.08 -0.22 0.24 0.00 0.00 174.94 174.58 2br2 s LEU 175 N -2.70 3.00 -0.28 0.37 2.96 0.30 -0.91 118.68 121.43 2br2 s LEU 175 Ca 0.11 -0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 2br2 s LEU 175 Cb -0.02 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.97 2br2 s LEU 175 CO 0.02 0.17 0.23 -0.67 -1.32 0.00 0.00 176.35 174.79 2br2 n ASP 176 N 3.48 -6.60 -4.77 3.68 2.03 0.12 -4.65 116.55 109.83 2br2 n ASP 176 Ca -0.18 0.76 -0.38 0.00 0.52 0.00 0.00 54.79 55.51 2br2 n ASP 176 Cb 0.53 -4.36 -0.05 0.00 -0.72 0.00 0.00 41.12 36.52 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 -1.74 4.38 1.15 -2.67 1.43 -1.23 -4.77 118.68 115.23 2br2 s LEU 177 Ca 0.10 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.11 2br2 s LEU 177 Cb -0.03 -3.91 0.28 0.00 0.03 0.00 0.00 46.19 42.56 2br2 s LEU 177 CO 0.60 -0.20 1.04 0.20 0.23 0.00 0.00 176.35 178.22 2br2 s ASN 178 N -1.34 1.04 0.21 2.29 0.02 -1.26 -4.61 114.94 111.29 2br2 s ASN 178 Ca 0.50 1.64 -0.09 0.00 -1.02 0.00 0.00 52.86 53.88 2br2 s ASN 178 Cb -0.24 -2.38 0.15 0.00 0.02 0.00 0.00 41.25 38.80 2br2 s ASN 178 CO 0.31 -4.18 1.81 -0.08 0.02 0.00 0.00 177.10 174.98 2br2 h GLU 179 N -2.61 1.08 -0.55 -0.60 4.81 -1.90 -0.50 114.58 114.31 2br2 h GLU 179 Ca -0.60 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 2br2 h GLU 179 Cb 1.33 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2br2 h GLU 179 CO 0.48 0.81 0.36 1.15 -0.73 0.00 0.00 179.01 181.09 2br2 h THR 180 N 1.06 1.15 -0.16 0.32 2.02 -1.93 0.13 112.91 115.50 2br2 h THR 180 Ca 0.27 -0.28 -0.16 0.00 0.77 0.00 0.00 66.41 67.01 2br2 h THR 180 Cb 0.07 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2br2 h THR 180 CO -0.04 0.14 -0.56 -0.33 0.37 0.00 0.00 175.52 175.11 2br2 h GLU 181 N 0.74 0.49 -0.26 6.66 5.08 -1.90 -1.40 114.58 123.99 2br2 h GLU 181 Ca 0.20 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2br2 h GLU 181 Cb -0.07 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2br2 h GLU 181 CO -0.04 0.92 0.16 0.22 -1.00 0.00 0.00 179.01 179.27 2br2 h ASP 182 N 0.37 0.30 -0.43 1.42 1.82 -0.68 -0.15 116.42 119.08 2br2 h ASP 182 Ca 0.00 -0.03 -0.12 0.00 -0.39 0.00 0.00 57.03 56.50 2br2 h ASP 182 Cb 1.09 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.01 2br2 h ASP 182 CO 0.10 0.24 -0.18 -0.03 -1.61 0.00 0.00 179.24 177.76 2br2 h MET 183 N 0.34 0.92 0.00 0.28 4.05 -0.57 -3.35 114.93 116.60 2br2 h MET 183 Ca 0.09 -0.36 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2br2 h MET 183 Cb -0.01 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 2br2 h MET 183 CO -0.02 1.02 -0.35 0.91 0.23 0.00 0.00 176.91 178.70 2br2 n TRP 184 N -4.12 0.00 -1.22 1.39 7.02 -0.54 -5.05 117.44 114.92 2br2 n TRP 184 Ca 0.01 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.20 2br2 n TRP 184 Cb 0.43 -0.01 0.18 0.00 -2.42 0.00 0.00 31.31 29.49 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 -1.59 1.57 0.24 6.99 0.00 -0.07 -4.98 107.32 109.47 2br2 s GLY 185 Ca 0.01 -0.49 0.20 0.00 0.00 0.00 0.00 44.72 44.44 2br2 s GLY 185 CO 0.20 0.16 1.21 0.83 0.00 0.00 0.00 173.10 175.49 2br2 h GLU 186 N -1.95 0.00 -2.63 2.90 3.07 -1.10 -3.48 114.58 111.39 2br2 h GLU 186 Ca -0.53 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.23 2br2 h GLU 186 Cb 1.33 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 29.04 2br2 h GLU 186 CO 0.55 0.18 -0.10 0.00 -1.40 0.00 0.00 179.01 178.25 2br2 s ALA 187 N -3.13 -1.16 -0.09 3.43 0.00 -1.20 -0.59 121.76 119.01 2br2 s ALA 187 Ca 0.02 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 2br2 s ALA 187 Cb 0.08 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.25 2br2 s ALA 187 CO 0.76 -0.30 0.12 0.34 0.00 0.00 0.00 175.76 176.68 2br2 s ASP 188 N -1.21 1.21 -0.46 0.00 2.15 0.52 -2.64 116.67 116.23 2br2 s ASP 188 Ca -0.12 0.04 0.03 0.00 0.43 0.00 0.00 52.55 52.92 2br2 s ASP 188 Cb -0.03 0.05 0.15 0.00 -0.30 0.00 0.00 42.92 42.78 2br2 s ASP 188 CO 0.06 -0.27 0.29 -0.32 -0.17 0.00 0.00 175.17 174.76 2br2 s MET 189 N 2.23 1.33 0.17 4.34 -2.45 0.15 -0.95 119.30 124.12 2br2 s MET 189 Ca 0.04 -2.15 -0.31 0.00 -1.25 0.00 0.00 55.69 52.02 2br2 s MET 189 Cb -0.13 -2.26 -0.09 0.00 1.25 0.00 0.00 34.83 33.60 2br2 s MET 189 CO -0.06 -1.22 1.43 -1.25 1.05 0.00 0.00 175.02 174.98 2br2 s PRO 190 N 0.12 4.29 -0.03 4.11 0.04 -1.02 -1.29 135.00 141.22 2br2 s PRO 190 Ca 0.21 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.45 2br2 s PRO 190 Cb -0.17 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.20 2br2 s PRO 190 CO -0.05 -0.45 -0.04 0.42 0.04 0.00 0.00 177.00 176.92 2br2 s ILE 191 N 0.72 0.43 -0.01 0.56 1.01 -0.19 -1.75 121.20 121.97 2br2 s ILE 191 Ca 0.64 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 61.22 2br2 s ILE 191 Cb -0.40 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 2br2 s ILE 191 CO 0.34 0.18 -0.11 0.00 0.00 0.00 0.00 174.94 175.35 2br2 s ALA 192 N 0.67 0.96 0.17 9.38 0.00 0.02 -1.31 121.76 131.64 2br2 s ALA 192 Ca -0.08 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.41 2br2 s ALA 192 Cb -0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2br2 s ALA 192 CO -0.00 0.23 -0.03 -1.64 0.00 0.00 0.00 175.76 174.32 2br2 s MET 193 N -0.25 1.11 -0.79 0.00 1.00 0.13 -0.20 119.30 120.30 2br2 s MET 193 Ca 0.04 -1.52 -0.18 0.00 0.00 0.00 0.00 55.69 54.04 2br2 s MET 193 Cb -0.05 -0.40 0.15 0.00 0.00 0.00 0.00 34.83 34.53 2br2 s MET 193 CO -0.00 -0.07 0.89 -1.64 0.00 0.00 0.00 175.02 174.20 2br2 s MET 194 N -3.86 3.43 0.32 2.03 -1.94 0.16 -1.36 119.30 118.07 2br2 s MET 194 Ca 0.22 -1.81 0.01 0.00 -1.71 0.00 0.00 55.69 52.40 2br2 s MET 194 Cb 0.05 -4.56 0.55 0.00 2.01 0.00 0.00 34.83 32.88 2br2 s MET 194 CO 0.03 -1.57 1.95 -1.35 -0.01 0.00 0.00 175.02 174.07 2br2 h PRO 195 N 8.65 0.96 0.00 2.03 0.11 -1.83 -1.13 132.00 140.79 2br2 h PRO 195 Ca -0.00 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2br2 h PRO 195 Cb 1.05 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 2br2 h PRO 195 CO 1.00 0.64 -0.16 0.77 -0.21 0.00 0.00 178.00 180.04 2br2 h SER 196 N 0.99 0.00 0.01 -2.05 0.02 -1.93 -2.77 113.55 107.82 2br2 h SER 196 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2br2 h SER 196 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2br2 h SER 196 CO -0.10 0.16 -0.55 0.18 -1.14 0.00 0.00 176.83 175.39 2br2 n LEU 197 N -3.82 1.81 -3.60 5.07 4.77 -0.47 -4.97 117.00 115.78 2br2 n LEU 197 Ca -0.02 -0.68 -0.27 0.00 -0.03 0.00 0.00 56.01 55.01 2br2 n LEU 197 Cb 0.26 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2br2 n LEU 197 CO 0.32 0.35 0.05 0.59 -1.33 0.00 0.00 177.39 177.38 2br2 n ASN 198 N -0.29 -4.81 -4.42 -1.43 5.03 -0.93 -4.98 115.26 103.43 2br2 n ASN 198 Ca 0.09 -0.58 -0.34 0.00 0.87 0.00 0.00 54.58 54.62 2br2 n ASN 198 Cb 0.44 -3.88 -0.13 0.00 -1.02 0.00 0.00 39.78 35.19 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 -6.29 3.55 -0.17 3.52 -1.52 -1.14 -5.00 119.66 112.61 2br2 s GLN 199 Ca 0.53 -0.57 -0.24 0.00 -1.95 0.00 0.00 55.36 53.13 2br2 s GLN 199 Cb -0.26 -2.96 -0.02 0.00 -0.22 0.00 0.00 33.01 29.55 2br2 s GLN 199 CO 0.65 0.05 0.79 0.08 -0.25 0.00 0.00 175.29 176.62 2br2 s VAL 200 N 0.85 4.91 -0.16 1.09 1.01 -1.26 -0.67 120.40 126.18 2br2 s VAL 200 Ca -0.01 1.54 -0.06 0.00 0.00 0.00 0.00 61.98 63.45 2br2 s VAL 200 Cb -0.15 -4.10 -0.24 0.00 0.00 0.00 0.00 36.38 31.90 2br2 s VAL 200 CO 0.02 0.05 0.23 0.41 0.00 0.00 0.00 175.10 175.80 2br2 n THR 201 N 4.69 1.71 -4.06 3.92 -1.04 0.72 -4.94 114.28 115.28 2br2 n THR 201 Ca 0.03 -0.59 -0.17 0.00 -2.04 0.00 0.00 64.05 61.28 2br2 n THR 201 Cb 0.49 -1.70 -0.15 0.00 -1.82 0.00 0.00 70.33 67.15 2br2 n THR 201 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2br2 s LEU 202 N -7.01 1.56 -0.22 -4.42 0.20 -0.95 -4.15 118.68 103.69 2br2 s LEU 202 Ca -0.26 -0.07 -0.04 0.00 0.69 0.00 0.00 54.13 54.45 2br2 s LEU 202 Cb 0.07 -0.27 0.11 0.00 -0.43 0.00 0.00 46.19 45.68 2br2 s LEU 202 CO 0.72 -0.02 0.36 0.12 -0.29 0.00 0.00 176.35 177.24 2br2 s PHE 203 N 0.51 -0.73 0.01 5.38 5.36 -1.26 -0.80 117.98 126.45 2br2 s PHE 203 Ca -0.06 0.95 -0.00 0.00 -0.96 0.00 0.00 56.93 56.87 2br2 s PHE 203 Cb -0.09 0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.63 2br2 s PHE 203 CO -0.01 -0.62 -0.01 -0.65 -1.46 0.00 0.00 175.22 172.48 2br2 s GLN 204 N 2.53 0.14 -0.06 10.12 -0.21 -0.72 -5.05 119.66 126.41 2br2 s GLN 204 Ca 0.08 -0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.22 2br2 s GLN 204 Cb -0.14 0.05 0.02 0.00 1.00 0.00 0.00 33.01 33.94 2br2 s GLN 204 CO -0.14 -0.02 -0.08 -1.17 -2.12 0.00 0.00 175.29 171.76 2br2 s LEU 205 N -0.62 1.39 0.07 2.90 2.96 -1.26 -2.43 118.68 121.70 2br2 s LEU 205 Ca -0.07 -0.22 0.09 0.00 -0.22 0.00 0.00 54.13 53.71 2br2 s LEU 205 Cb -0.04 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 2br2 s LEU 205 CO -0.00 -0.04 -0.23 0.54 -1.32 0.00 0.00 176.35 175.30 2br2 s ASN 206 N 0.99 3.49 0.00 3.68 2.20 -0.12 -5.00 114.94 120.18 2br2 s ASN 206 Ca -0.09 -0.57 0.00 0.00 -0.94 0.00 0.00 52.86 51.25 2br2 s ASN 206 Cb -0.15 -0.40 0.00 0.00 -2.00 0.00 0.00 41.25 38.70 2br2 s ASN 206 CO 0.00 0.23 0.00 0.61 -2.94 0.00 0.00 177.10 175.00 2br2 n GLY 207 N 1.37 0.75 3.47 0.45 0.00 -1.26 -0.36 105.19 109.61 2br2 n GLY 207 Ca -0.17 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.72 -0.02 1.61 0.15 0.25 -4.95 113.70 106.03 2br2 s SER 208 Ca 0.00 1.22 -0.16 0.00 0.70 0.00 0.00 55.95 57.71 2br2 s SER 208 Cb 0.00 1.13 0.03 0.00 -1.71 0.00 0.00 66.02 65.46 2br2 s SER 208 CO 0.00 -0.21 0.34 -0.04 1.20 0.00 0.00 173.24 174.52 2br2 s MET 209 N 1.23 0.70 0.50 5.44 -1.94 -1.26 -4.39 119.30 119.58 2br2 s MET 209 Ca -0.07 -0.16 -0.17 0.00 -1.71 0.00 0.00 55.69 53.57 2br2 s MET 209 Cb -0.06 0.31 -0.08 0.00 2.01 0.00 0.00 34.83 37.01 2br2 s MET 209 CO -0.12 -0.20 0.99 0.95 -0.01 0.00 0.00 175.02 176.63 2br2 s THR 210 N -1.34 4.43 0.36 2.05 -4.23 -1.26 -4.85 115.64 110.80 2br2 s THR 210 Ca -0.13 1.24 0.12 0.00 -1.18 0.00 0.00 61.69 61.73 2br2 s THR 210 Cb -0.05 -3.66 0.34 0.00 1.34 0.00 0.00 72.50 70.47 2br2 s THR 210 CO 0.05 -0.59 1.80 -0.65 -0.54 0.00 0.00 174.62 174.69 2br2 h PRO 211 N 1.08 0.56 -0.26 3.99 0.11 -2.01 0.10 132.00 135.58 2br2 h PRO 211 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2br2 h PRO 211 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2br2 h PRO 211 CO 0.61 0.37 0.12 -0.44 -0.21 0.00 0.00 178.00 178.46 2br2 h ASP 212 N 0.58 0.34 -0.52 -2.05 3.32 -1.99 -1.14 116.42 114.96 2br2 h ASP 212 Ca 0.54 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.46 2br2 h ASP 212 Cb 1.09 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 2br2 h ASP 212 CO -0.29 0.37 0.31 -0.33 -1.72 0.00 0.00 179.24 177.58 2br2 h GLU 213 N 0.29 0.71 -0.51 3.56 5.08 -1.64 -0.93 114.58 121.14 2br2 h GLU 213 Ca 0.09 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2br2 h GLU 213 Cb 0.12 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 2br2 h GLU 213 CO -0.01 0.52 0.17 0.35 -1.00 0.00 0.00 179.01 179.04 2br2 h PHE 214 N 0.70 0.30 -0.50 4.33 3.57 -0.69 0.11 116.94 124.76 2br2 h PHE 214 Ca 0.19 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 2br2 h PHE 214 Cb -0.00 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2br2 h PHE 214 CO -0.02 0.09 -0.10 0.00 -2.23 0.00 0.00 178.31 176.04 2br2 h ARG 215 N 0.35 0.92 -0.05 1.11 3.08 -0.81 -1.29 114.38 117.69 2br2 h ARG 215 Ca 0.25 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2br2 h ARG 215 Cb 0.28 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2br2 h ARG 215 CO -0.26 0.97 0.03 1.96 -1.07 0.00 0.00 179.97 181.60 2br2 h GLN 216 N 0.83 0.07 -0.56 0.04 4.20 -0.61 -2.39 115.11 116.68 2br2 h GLN 216 Ca 0.13 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2br2 h GLN 216 Cb 0.63 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 2br2 h GLN 216 CO 0.04 0.13 0.32 0.00 -0.67 0.00 0.00 178.83 178.66 2br2 h ALA 217 N 0.93 0.71 -0.31 3.87 0.00 -0.72 -1.66 119.26 122.08 2br2 h ALA 217 Ca 0.02 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2br2 h ALA 217 Cb 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2br2 h ALA 217 CO -0.00 0.21 -0.11 0.35 0.00 0.00 0.00 179.25 179.70 2br2 h PHE 218 N 0.75 -0.26 -0.84 0.00 3.57 -1.17 -0.15 116.94 118.84 2br2 h PHE 218 Ca 0.20 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.79 2br2 h PHE 218 Cb 0.01 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 2br2 h PHE 218 CO -0.02 -0.18 0.52 -0.44 -2.23 0.00 0.00 178.31 175.97 2br2 h ASP 219 N -0.05 0.83 -0.45 0.41 3.32 -0.90 -2.09 116.42 117.50 2br2 h ASP 219 Ca 0.16 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2br2 h ASP 219 Cb 0.29 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2br2 h ASP 219 CO -0.35 0.54 0.20 0.25 -1.72 0.00 0.00 179.24 178.16 2br2 h LEU 220 N 0.97 0.59 -0.87 1.55 5.85 -0.53 -2.90 115.31 119.96 2br2 h LEU 220 Ca 0.36 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 59.01 2br2 h LEU 220 Cb 0.14 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 2br2 h LEU 220 CO -0.16 0.56 0.54 0.00 -0.34 0.00 0.00 178.44 179.04 2br2 h ALA 221 N 1.05 1.22 -0.50 1.25 0.00 -0.47 -1.81 119.26 119.99 2br2 h ALA 221 Ca 0.15 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2br2 h ALA 221 Cb 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2br2 h ALA 221 CO -0.02 0.26 0.33 0.28 0.00 0.00 0.00 179.25 180.10 2br2 h VAL 222 N 0.96 1.12 -0.65 0.00 2.07 -1.21 0.19 116.25 118.72 2br2 h VAL 222 Ca 0.39 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 2br2 h VAL 222 Cb 0.22 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2br2 h VAL 222 CO -0.19 0.12 0.38 0.11 0.02 0.00 0.00 177.57 178.01 2br2 h LYS 223 N 0.67 0.89 0.11 1.57 1.57 -1.19 -0.38 116.57 119.81 2br2 h LYS 223 Ca 0.19 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2br2 h LYS 223 Cb -0.07 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.06 2br2 h LYS 223 CO -0.05 0.65 -0.05 0.78 -0.57 0.00 0.00 179.45 180.21 2br2 h GLY 224 N 0.88 -0.16 0.41 3.86 0.00 -0.99 -2.94 103.07 104.13 2br2 h GLY 224 Ca 0.23 0.06 0.12 0.00 0.00 0.00 0.00 47.33 47.74 2br2 h GLY 224 CO -0.04 -0.06 0.51 -2.22 0.00 0.00 0.00 176.54 174.73 2br2 h ILE 225 N -0.23 0.85 -0.25 2.60 2.04 -0.34 -1.70 117.51 120.48 2br2 h ILE 225 Ca -0.02 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 2br2 h ILE 225 Cb 0.19 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 2br2 h ILE 225 CO 0.03 0.14 -0.07 0.78 0.00 0.00 0.00 178.15 179.03 2br2 h ASN 226 N 0.79 0.38 -0.15 1.72 2.35 -0.95 0.12 115.58 119.84 2br2 h ASN 226 Ca 0.45 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 56.05 2br2 h ASN 226 Cb 0.50 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 2br2 h ASN 226 CO -0.29 0.50 -0.18 0.40 -1.65 0.00 0.00 177.43 176.21 2br2 h ILE 227 N 0.38 1.35 -0.90 2.81 2.04 -1.17 -2.82 117.51 119.21 2br2 h ILE 227 Ca 0.08 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.58 2br2 h ILE 227 Cb 0.37 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 2br2 h ILE 227 CO 0.02 0.40 0.60 0.40 0.00 0.00 0.00 178.15 179.57 2br2 h ILE 228 N 0.01 1.23 -0.47 -0.67 2.04 -1.02 -2.80 117.51 115.83 2br2 h ILE 228 Ca 0.02 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.49 2br2 h ILE 228 Cb 0.73 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 2br2 h ILE 228 CO 0.04 0.22 0.25 0.22 0.00 0.00 0.00 178.15 178.89 2br2 h TYR 229 N 1.22 0.47 -0.17 1.37 3.20 -0.73 -0.67 116.97 121.65 2br2 h TYR 229 Ca 0.33 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 2br2 h TYR 229 Cb -0.14 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 2br2 h TYR 229 CO -0.01 0.25 0.05 -0.91 -1.64 0.00 0.00 178.16 175.90 2br2 h ASN 230 N 0.50 0.21 -0.09 -2.11 2.35 -1.24 -0.69 115.58 114.52 2br2 h ASN 230 Ca 0.20 -0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.74 2br2 h ASN 230 Cb 0.07 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2br2 h ASN 230 CO -0.12 0.22 -0.65 -0.07 -1.65 0.00 0.00 177.43 175.16 2br2 h LEU 231 N 0.24 0.82 -0.44 1.61 3.38 -1.12 -2.17 115.31 117.63 2br2 h LEU 231 Ca 0.06 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2br2 h LEU 231 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2br2 h LEU 231 CO -0.00 1.26 0.25 -0.33 0.09 0.00 0.00 178.44 179.70 2br2 h GLU 232 N 0.52 0.60 -1.00 1.13 5.08 -0.30 0.16 114.58 120.77 2br2 h GLU 232 Ca -0.02 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2br2 h GLU 232 Cb 1.25 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.31 2br2 h GLU 232 CO 0.13 0.47 0.64 0.00 -1.00 0.00 0.00 179.01 179.25 2br2 h ARG 233 N 0.57 1.13 -0.18 2.33 3.08 -1.10 -1.52 114.38 118.69 2br2 h ARG 233 Ca 0.15 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 2br2 h ARG 233 Cb 0.04 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 2br2 h ARG 233 CO -0.03 0.75 -0.24 1.49 -1.07 0.00 0.00 179.97 180.87 2br2 h GLU 234 N 1.16 0.48 -0.22 0.04 4.22 -0.90 -2.92 114.58 116.45 2br2 h GLU 234 Ca 0.43 -0.28 0.06 0.00 0.08 0.00 0.00 59.36 59.66 2br2 h GLU 234 Cb 0.18 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2br2 h GLU 234 CO -0.18 0.87 0.16 0.00 -2.18 0.00 0.00 179.01 177.68 2br2 h ALA 235 N 0.60 2.20 -0.60 2.92 0.00 -0.27 -0.82 119.26 123.29 2br2 h ALA 235 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2br2 h ALA 235 Cb 0.81 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2br2 h ALA 235 CO 0.06 -0.27 0.00 1.25 0.00 0.00 0.00 179.25 180.30 2br2 h LEU 236 N 0.00 1.02 0.02 0.00 5.85 -1.10 0.11 115.31 121.22 2br2 h LEU 236 Ca 0.10 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2br2 h LEU 236 Cb 0.41 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2br2 h LEU 236 CO -0.00 1.07 -0.01 0.11 -0.34 0.00 0.00 178.44 179.27 2br2 h LYS 237 N 0.96 -0.02 -0.00 1.25 1.57 -1.22 -3.39 116.57 115.72 2br2 h LYS 237 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2br2 h LYS 237 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2br2 h LYS 237 CO 0.03 0.71 -0.66 -1.13 -0.57 0.00 0.00 179.45 177.83 2br2 n SER 238 N -4.69 0.92 0.00 0.86 3.41 -0.42 -4.96 113.62 108.73 2br2 n SER 238 Ca -0.08 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 2br2 n SER 238 Cb 0.36 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 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 -1.24 0.00 -3.70 4.33 4.01 0.39 -4.91 118.16 117.04 2br2 n LYS 239 Ca 0.06 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.75 2br2 n LYS 239 Cb 0.35 -2.30 -0.12 0.00 -0.51 0.00 0.00 35.03 32.45 2br2 n LYS 239 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2br2 s TYR 240 N -2.19 -0.52 -0.03 2.13 5.04 -1.26 -1.29 117.35 119.23 2br2 s TYR 240 Ca 0.00 1.13 -0.01 0.00 -2.44 0.00 0.00 57.07 55.75 2br2 s TYR 240 Cb 0.00 0.18 0.03 0.00 0.35 0.00 0.00 41.96 42.52 2br2 s TYR 240 CO 0.00 -0.32 0.07 0.08 -1.34 0.00 0.00 175.55 174.03 2br2 s VAL 241 N 1.55 -0.05 -0.01 3.14 1.01 0.36 -4.82 120.40 121.57 2br2 s VAL 241 Ca -0.08 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.16 2br2 s VAL 241 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 2br2 s VAL 241 CO -0.11 0.07 -0.25 -1.61 0.00 0.00 0.00 175.10 173.20 2br2 s GLU 242 N 0.98 2.09 -0.14 2.72 2.02 -1.26 -0.80 118.70 124.30 2br2 s GLU 242 Ca -0.08 -0.94 -0.04 0.00 0.02 0.00 0.00 54.97 53.93 2br2 s GLU 242 Cb -0.11 -2.05 0.07 0.00 0.10 0.00 0.00 34.13 32.13 2br2 s GLU 242 CO -0.03 0.56 0.18 0.12 0.02 0.00 0.00 175.26 176.10 2br2 s PHE 243 N -0.65 -0.18 0.45 1.61 5.36 0.18 -5.00 117.98 119.75 2br2 s PHE 243 Ca 0.10 0.37 -0.22 0.00 -0.96 0.00 0.00 56.93 56.22 2br2 s PHE 243 Cb -0.10 -0.34 -0.08 0.00 -0.34 0.00 0.00 43.02 42.15 2br2 s PHE 243 CO -0.00 -0.43 1.06 -1.59 -1.46 0.00 0.00 175.22 172.80 2br2 s LYS 244 N 2.29 3.95 0.21 10.12 -2.85 -1.26 -0.91 119.74 131.29 2br2 s LYS 244 Ca 0.04 1.48 -0.28 0.00 -1.00 0.00 0.00 55.97 56.20 2br2 s LYS 244 Cb -0.14 -2.32 -0.16 0.00 -2.06 0.00 0.00 37.83 33.14 2br2 s LYS 244 CO -0.09 -0.33 0.67 0.39 0.10 0.00 0.00 175.35 176.09 2br2 n GLU 245 N -0.53 0.34 -3.60 1.78 1.02 -1.26 -4.83 120.64 113.56 2br2 n GLU 245 Ca 0.07 0.12 -0.04 0.00 -0.02 0.00 0.00 57.16 57.29 2br2 n GLU 245 Cb 0.51 -1.23 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.08 0.64 0.29 3.49 -1.05 -1.23 -5.00 118.70 114.75 2br2 s GLU 246 Ca 0.64 -0.28 -0.30 0.00 -0.15 0.00 0.00 54.97 54.88 2br2 s GLU 246 Cb -0.89 0.26 -0.11 0.00 -0.44 0.00 0.00 34.13 32.95 2br2 s GLU 246 CO 0.57 -0.28 1.57 0.20 0.95 0.00 0.00 175.26 178.26 2br2 s GLY 247 N -2.55 2.20 0.00 -3.83 0.00 -1.26 -2.82 107.32 99.06 2br2 s GLY 247 Ca 0.09 1.54 0.15 0.00 0.00 0.00 0.00 44.72 46.51 2br2 s GLY 247 CO -0.05 2.49 1.33 -0.62 0.00 0.00 0.00 173.10 176.26