#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br2 h ARG 2 N 0.00 0.05 0.07 2.12 -0.00 -2.09 -3.30 114.38 111.23 2br2 h ARG 2 Ca 0.00 -0.01 -0.38 0.00 -0.00 0.00 0.00 59.98 59.59 2br2 h ARG 2 Cb 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.97 29.92 2br2 h ARG 2 CO 0.00 0.25 -2.20 -1.91 -0.00 0.00 0.00 179.97 176.11 2br2 n GLU 3 N -4.29 0.71 0.09 0.08 2.13 -1.26 -4.45 120.64 113.65 2br2 n GLU 3 Ca -0.02 0.21 -0.07 0.00 0.66 0.00 0.00 57.16 57.94 2br2 n GLU 3 Cb 0.27 -1.63 0.03 0.00 0.27 0.00 0.00 31.44 30.38 2br2 n GLU 3 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 2br2 h MET 4 N 0.04 0.20 -7.13 5.31 4.05 -2.12 -3.46 114.93 111.83 2br2 h MET 4 Ca -0.49 -0.19 -0.53 0.00 -0.28 0.00 0.00 59.70 58.21 2br2 h MET 4 Cb 1.98 0.05 0.13 0.00 -0.80 0.00 0.00 31.60 32.96 2br2 h MET 4 CO 0.01 0.89 0.45 -1.17 0.23 0.00 0.00 176.91 177.32 2br2 s LEU 5 N -7.58 3.53 -0.00 3.39 2.96 -1.24 -5.04 118.68 114.70 2br2 s LEU 5 Ca -0.03 2.37 0.01 0.00 -0.22 0.00 0.00 54.13 56.26 2br2 s LEU 5 Cb 0.11 -4.59 -0.00 0.00 0.50 0.00 0.00 46.19 42.20 2br2 s LEU 5 CO 0.82 -1.83 -0.03 -1.58 -1.32 0.00 0.00 176.35 172.40 2br2 s GLN 6 N -3.57 0.28 0.12 1.98 0.74 -1.26 -5.07 119.66 112.87 2br2 s GLN 6 Ca 0.76 -0.13 -0.35 0.00 0.05 0.00 0.00 55.36 55.69 2br2 s GLN 6 Cb -0.30 -0.26 -0.17 0.00 1.10 0.00 0.00 33.01 33.38 2br2 s GLN 6 CO 0.38 0.07 1.22 0.28 -0.55 0.00 0.00 175.29 176.69 2br2 n VAL 7 N 2.98 0.42 -0.03 1.34 0.31 -1.26 -4.92 118.33 117.16 2br2 n VAL 7 Ca -0.13 -0.11 -0.15 0.00 -0.01 0.00 0.00 64.34 63.95 2br2 n VAL 7 Cb 0.59 -0.73 -0.10 0.00 -0.91 0.00 0.00 33.84 32.69 2br2 n VAL 7 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2br2 h GLU 8 N 3.83 0.29 -6.38 5.55 9.09 -2.06 -3.47 114.58 121.44 2br2 h GLU 8 Ca -0.46 -0.24 -0.57 0.00 0.05 0.00 0.00 59.36 58.14 2br2 h GLU 8 Cb 1.35 0.05 0.19 0.00 -1.65 0.00 0.00 28.75 28.69 2br2 h GLU 8 CO 0.73 0.89 -0.76 2.89 0.05 0.00 0.00 179.01 182.81 2br2 n ARG 9 N -4.47 0.23 -2.11 1.06 -4.01 -1.26 -4.95 116.66 101.15 2br2 n ARG 9 Ca -0.08 0.10 -0.37 0.00 -1.04 0.00 0.00 57.85 56.45 2br2 n ARG 9 Cb 0.48 -1.49 0.01 0.00 -3.04 0.00 0.00 32.46 28.42 2br2 n ARG 9 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 2br2 s PRO 10 N -2.07 3.48 0.32 2.89 0.04 -1.26 -5.00 135.00 133.39 2br2 s PRO 10 Ca 0.61 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 2br2 s PRO 10 Cb -0.39 -2.28 -0.11 0.00 0.04 0.00 0.00 34.50 31.76 2br2 s PRO 10 CO 0.62 -0.81 1.44 0.15 0.04 0.00 0.00 177.00 178.44 2br2 s LYS 11 N -2.87 4.23 -0.03 4.56 -0.14 -1.26 -4.94 119.74 119.29 2br2 s LYS 11 Ca 0.68 2.39 0.15 0.00 -1.36 0.00 0.00 55.97 57.83 2br2 s LYS 11 Cb -0.31 -3.05 -0.22 0.00 -1.68 0.00 0.00 37.83 32.57 2br2 s LYS 11 CO 0.37 -0.41 0.30 1.28 -0.76 0.00 0.00 175.35 176.13 2br2 n LEU 12 N 1.33 0.00 -4.23 3.17 4.77 -1.26 -4.86 117.00 115.92 2br2 n LEU 12 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 2br2 n LEU 12 Cb 0.40 0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.37 2br2 n LEU 12 CO 0.61 0.03 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.62 2br2 s ILE 13 N -2.97 2.77 0.00 -0.08 -1.09 -1.26 -3.85 121.20 114.72 2br2 s ILE 13 Ca -0.06 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2br2 s ILE 13 Cb 0.09 -2.22 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 2br2 s ILE 13 CO 0.61 0.48 0.00 0.18 -1.23 0.00 0.00 174.94 174.98 2br2 n LEU 14 N 4.61 0.00 -4.77 2.97 4.77 0.23 -4.96 117.00 119.86 2br2 n LEU 14 Ca -0.19 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.39 2br2 n LEU 14 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2br2 n LEU 14 CO 0.28 0.00 0.99 -0.62 -1.33 0.00 0.00 177.39 176.71 2br2 s ASP 15 N 0.65 6.13 0.40 -1.43 2.15 -1.26 -4.09 116.67 119.21 2br2 s ASP 15 Ca 0.00 2.73 0.00 0.00 0.43 0.00 0.00 52.55 55.71 2br2 s ASP 15 Cb 0.00 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2br2 s ASP 15 CO 0.00 -0.98 0.00 0.47 -0.17 0.00 0.00 175.17 174.49 2br2 n ASP 16 N -0.04 -3.19 0.00 -0.34 8.00 -1.26 -2.58 116.55 117.15 2br2 n ASP 16 Ca 0.04 0.19 0.01 0.00 0.71 0.00 0.00 54.79 55.74 2br2 n ASP 16 Cb 0.43 -0.61 0.03 0.00 -0.02 0.00 0.00 41.12 40.96 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 -0.59 -0.18 3.78 0.44 0.00 -1.26 -4.85 105.19 102.52 2br2 n GLY 17 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 4.54 0.99 1.61 1.02 -1.06 -4.53 119.74 120.31 2br2 s LYS 18 Ca 0.02 1.15 -0.17 0.00 0.02 0.00 0.00 55.97 56.99 2br2 s LYS 18 Cb 0.01 -3.15 0.24 0.00 -0.52 0.00 0.00 37.83 34.40 2br2 s LYS 18 CO 0.01 0.51 1.12 0.54 -0.92 0.00 0.00 175.35 176.61 2br2 n ARG 19 N 1.33 -1.97 0.24 1.68 1.74 0.41 0.75 116.66 120.84 2br2 n ARG 19 Ca -0.04 -1.75 0.10 0.00 -0.77 0.00 0.00 57.85 55.40 2br2 n ARG 19 Cb 0.49 -1.35 0.60 0.00 -1.02 0.00 0.00 32.46 31.17 2br2 n ARG 19 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2br2 h THR 20 N -2.11 0.67 -0.52 0.55 1.35 -1.88 -1.41 112.91 109.57 2br2 h THR 20 Ca -0.38 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2br2 h THR 20 Cb 1.11 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2br2 h THR 20 CO 0.26 0.19 0.00 -0.90 -0.25 0.00 0.00 175.52 174.82 2br2 n ASP 21 N -3.63 3.15 0.00 5.36 3.85 -1.26 -4.94 116.55 119.07 2br2 n ASP 21 Ca -0.01 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 2br2 n ASP 21 Cb 0.32 -0.34 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 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 1.45 0.71 3.81 6.12 0.00 -0.53 -5.06 105.19 111.69 2br2 n GLY 22 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.58 4.30 0.65 1.61 0.52 -1.26 -4.65 118.95 119.54 2br2 s ARG 23 Ca 0.00 1.16 -0.12 0.00 -0.52 0.00 0.00 55.73 56.25 2br2 s ARG 23 Cb 0.00 -2.30 -0.02 0.00 0.52 0.00 0.00 34.95 33.15 2br2 s ARG 23 CO 0.00 0.03 1.05 0.15 0.02 0.00 0.00 175.30 176.55 2br2 s LYS 24 N -2.96 3.23 0.55 3.54 1.02 -1.26 -0.45 119.74 123.41 2br2 s LYS 24 Ca 0.60 0.91 0.30 0.00 0.02 0.00 0.00 55.97 57.80 2br2 s LYS 24 Cb -0.11 -2.03 1.47 0.00 -0.52 0.00 0.00 37.83 36.64 2br2 s LYS 24 CO 0.15 -0.86 1.89 -1.35 -0.92 0.00 0.00 175.35 174.26 2br2 h PRO 25 N -0.40 0.00 -0.64 -1.68 0.11 -1.89 -2.09 132.00 125.40 2br2 h PRO 25 Ca -0.44 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.41 2br2 h PRO 25 Cb 1.20 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 2br2 h PRO 25 CO 0.59 0.00 0.24 -0.40 -0.21 0.00 0.00 178.00 178.22 2br2 n ASP 26 N -4.14 3.81 -4.45 -2.05 5.75 -1.26 -0.56 116.55 113.64 2br2 n ASP 26 Ca 0.15 -3.45 -0.33 0.00 -0.01 0.00 0.00 54.79 51.15 2br2 n ASP 26 Cb 0.87 -0.72 -0.13 0.00 -1.03 0.00 0.00 41.12 40.12 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 -3.12 3.55 0.54 0.11 2.02 -0.79 -0.81 118.70 120.21 2br2 s GLU 27 Ca 0.51 -0.58 -0.18 0.00 0.02 0.00 0.00 54.97 54.75 2br2 s GLU 27 Cb 0.43 -2.80 -0.06 0.00 0.10 0.00 0.00 34.13 31.79 2br2 s GLU 27 CO 0.09 0.24 1.04 -0.51 0.02 0.00 0.00 175.26 176.14 2br2 s LEU 28 N 0.33 3.66 0.99 1.80 1.43 -1.12 -4.74 118.68 121.02 2br2 s LEU 28 Ca -0.06 1.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.75 2br2 s LEU 28 Cb -0.15 -4.54 0.19 0.00 0.03 0.00 0.00 46.19 41.72 2br2 s LEU 28 CO 0.04 -0.95 1.11 -0.13 0.23 0.00 0.00 176.35 176.64 2br2 s ARG 29 N -3.71 0.46 0.56 1.70 0.52 -1.26 -3.60 118.95 113.62 2br2 s ARG 29 Ca 0.65 0.40 -0.20 0.00 -0.52 0.00 0.00 55.73 56.06 2br2 s ARG 29 Cb -0.16 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 2br2 s ARG 29 CO 0.29 -2.69 1.22 -1.54 0.02 0.00 0.00 175.30 172.60 2br2 s SER 30 N -3.63 5.38 -0.03 0.23 1.04 -1.26 -4.53 113.70 110.90 2br2 s SER 30 Ca 0.65 2.42 0.06 0.00 0.48 0.00 0.00 55.95 59.56 2br2 s SER 30 Cb -0.17 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.33 2br2 s SER 30 CO 0.56 -1.47 -0.22 -0.63 0.98 0.00 0.00 173.24 172.47 2br2 s ILE 31 N -1.55 1.76 -0.03 -1.02 1.01 0.09 -0.38 121.20 121.09 2br2 s ILE 31 Ca 0.74 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 60.46 2br2 s ILE 31 Cb -0.31 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.71 2br2 s ILE 31 CO 0.35 0.50 -0.01 -0.75 0.00 0.00 0.00 174.94 175.03 2br2 s LYS 32 N -0.39 0.38 -0.04 2.79 2.20 -0.43 -0.53 119.74 123.72 2br2 s LYS 32 Ca 0.05 0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.70 2br2 s LYS 32 Cb -0.10 -0.52 0.02 0.00 -1.51 0.00 0.00 37.83 35.73 2br2 s LYS 32 CO 0.00 -0.11 -0.05 0.42 -0.36 0.00 0.00 175.35 175.25 2br2 s ILE 33 N 0.91 0.56 0.02 5.43 1.01 0.03 -0.16 121.20 129.00 2br2 s ILE 33 Ca -0.10 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.41 2br2 s ILE 33 Cb -0.13 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 2br2 s ILE 33 CO -0.01 0.22 -0.04 -1.83 0.00 0.00 0.00 174.94 173.28 2br2 s GLU 34 N 0.81 0.35 0.23 2.79 -1.05 -0.53 -0.63 118.70 120.67 2br2 s GLU 34 Ca -0.11 -0.58 0.10 0.00 -0.15 0.00 0.00 54.97 54.23 2br2 s GLU 34 Cb -0.14 -0.03 -0.04 0.00 -0.44 0.00 0.00 34.13 33.48 2br2 s GLU 34 CO 0.00 -0.01 -0.10 -0.51 0.95 0.00 0.00 175.26 175.60 2br2 s LEU 35 N -1.31 2.93 -1.09 1.83 1.02 -0.26 -0.53 118.68 121.27 2br2 s LEU 35 Ca -0.12 -0.71 -0.06 0.00 0.02 0.00 0.00 54.13 53.26 2br2 s LEU 35 Cb -0.09 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.60 2br2 s LEU 35 CO -0.01 0.06 0.74 0.61 0.02 0.00 0.00 176.35 177.77 2br2 n GLY 36 N -0.39 -0.20 0.13 -3.19 0.00 0.61 -4.90 105.19 97.25 2br2 n GLY 36 Ca -0.08 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.69 0.00 -3.37 1.61 3.04 -1.85 -3.44 116.25 110.54 2br2 h VAL 37 Ca -0.42 -0.84 -0.65 0.00 -1.01 0.00 0.00 66.70 63.77 2br2 h VAL 37 Cb 1.28 1.54 -0.26 0.00 -2.01 0.00 0.00 31.29 31.85 2br2 h VAL 37 CO 0.43 0.00 -0.71 -0.76 -1.01 0.00 0.00 177.57 175.52 2br2 s LEU 38 N -5.28 2.97 0.09 3.16 1.43 -1.26 -5.02 118.68 114.77 2br2 s LEU 38 Ca 0.04 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.68 2br2 s LEU 38 Cb 0.09 -1.73 -0.11 0.00 0.03 0.00 0.00 46.19 44.48 2br2 s LEU 38 CO 0.73 0.07 1.38 0.11 0.23 0.00 0.00 176.35 178.87 2br2 h LYS 39 N 7.46 0.66 -0.50 1.70 6.56 -2.01 -3.29 116.57 127.16 2br2 h LYS 39 Ca -0.35 -0.38 0.00 0.00 -1.06 0.00 0.00 60.65 58.85 2br2 h LYS 39 Cb 1.18 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2br2 h LYS 39 CO 0.60 1.00 0.00 0.09 -2.06 0.00 0.00 179.45 179.07 2br2 n ASN 40 N -4.26 2.46 -4.73 0.86 3.02 -1.26 -4.86 115.26 106.50 2br2 n ASN 40 Ca -0.05 -2.13 -0.23 0.00 -0.03 0.00 0.00 54.58 52.14 2br2 n ASN 40 Cb 0.50 -0.35 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.60 3.35 0.17 5.41 0.00 -1.24 -5.04 121.76 122.81 2br2 s ALA 41 Ca 0.27 -1.50 0.09 0.00 0.00 0.00 0.00 51.96 50.82 2br2 s ALA 41 Cb 0.16 -1.04 0.06 0.00 0.00 0.00 0.00 23.12 22.30 2br2 s ALA 41 CO 0.15 0.30 1.44 -0.44 0.00 0.00 0.00 175.76 177.21 2br2 h ASP 42 N 1.88 0.00 -5.00 0.00 3.32 -1.29 -3.46 116.42 111.87 2br2 h ASP 42 Ca -0.46 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 2br2 h ASP 42 Cb 1.24 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.60 2br2 h ASP 42 CO 0.60 0.80 -0.02 -0.83 -1.72 0.00 0.00 179.24 178.07 2br2 s GLY 43 N -4.59 -0.38 -0.07 2.75 0.00 -0.98 -3.79 107.32 100.27 2br2 s GLY 43 Ca 0.00 0.78 -0.25 0.00 0.00 0.00 0.00 44.72 45.25 2br2 s GLY 43 CO 0.79 0.49 0.58 -1.35 0.00 0.00 0.00 173.10 173.61 2br2 s SER 44 N -1.41 -0.54 -0.05 1.64 1.04 -1.25 0.03 113.70 113.16 2br2 s SER 44 Ca -0.11 0.63 -0.13 0.00 0.48 0.00 0.00 55.95 56.82 2br2 s SER 44 Cb -0.02 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.70 2br2 s SER 44 CO 0.05 -0.51 0.29 0.00 0.98 0.00 0.00 173.24 174.05 2br2 s ALA 45 N -1.02 -0.73 -0.15 5.32 0.00 -0.69 -0.29 121.76 124.21 2br2 s ALA 45 Ca -0.10 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 2br2 s ALA 45 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2br2 s ALA 45 CO 0.07 -0.21 -0.05 0.42 0.00 0.00 0.00 175.76 175.99 2br2 s ILE 46 N -0.80 3.77 -0.08 0.00 1.01 0.31 -0.96 121.20 124.46 2br2 s ILE 46 Ca -0.09 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.20 2br2 s ILE 46 Cb -0.04 -2.64 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 2br2 s ILE 46 CO 0.03 0.50 -0.22 0.12 0.00 0.00 0.00 174.94 175.36 2br2 s PHE 47 N 0.35 2.30 -0.12 3.97 5.36 -0.29 -1.45 117.98 128.11 2br2 s PHE 47 Ca -0.05 -0.84 0.01 0.00 -0.96 0.00 0.00 56.93 55.09 2br2 s PHE 47 Cb -0.14 -1.54 0.02 0.00 -0.34 0.00 0.00 43.02 41.01 2br2 s PHE 47 CO 0.03 -0.32 -0.13 -1.21 -1.46 0.00 0.00 175.22 172.13 2br2 s GLU 48 N 0.21 2.06 -0.29 10.12 2.02 0.77 -1.33 118.70 132.27 2br2 s GLU 48 Ca -0.13 -0.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.36 2br2 s GLU 48 Cb -0.16 -1.85 0.04 0.00 0.10 0.00 0.00 34.13 32.27 2br2 s GLU 48 CO 0.06 -0.14 -0.01 -1.64 0.02 0.00 0.00 175.26 173.55 2br2 s MET 49 N 1.24 2.57 3.00 1.61 -1.94 -0.06 -1.32 119.30 124.40 2br2 s MET 49 Ca -0.02 -1.17 0.00 0.00 -1.71 0.00 0.00 55.69 52.79 2br2 s MET 49 Cb -0.14 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.56 2br2 s MET 49 CO -0.05 -0.56 0.00 0.41 -0.01 0.00 0.00 175.02 174.81 2br2 n GLY 50 N 4.65 2.86 0.66 -0.03 0.00 0.49 -0.76 105.19 113.06 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 4.91 2.12 -4.66 1.61 3.02 -1.26 -4.83 115.26 116.18 2br2 n ASN 51 Ca 0.00 -1.66 -0.41 0.00 -0.03 0.00 0.00 54.58 52.48 2br2 n ASN 51 Cb 0.00 0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.17 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 -2.07 4.89 -0.06 3.41 2.01 0.06 -4.27 115.64 119.61 2br2 s THR 52 Ca 0.32 1.52 0.00 0.00 0.31 0.00 0.00 61.69 63.84 2br2 s THR 52 Cb 0.20 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.64 2br2 s THR 52 CO 0.35 0.00 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.70 2br2 s LYS 53 N 2.40 0.88 0.04 4.92 1.02 0.23 -0.88 119.74 128.35 2br2 s LYS 53 Ca 0.35 -0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.31 2br2 s LYS 53 Cb -0.16 -0.96 -0.02 0.00 -0.52 0.00 0.00 37.83 36.17 2br2 s LYS 53 CO 0.10 -0.15 -0.15 0.00 -0.92 0.00 0.00 175.35 174.23 2br2 s ALA 54 N 1.23 1.30 -0.05 5.17 0.00 -0.44 0.24 121.76 129.20 2br2 s ALA 54 Ca -0.06 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2br2 s ALA 54 Cb -0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2br2 s ALA 54 CO -0.02 0.25 -0.17 -1.50 0.00 0.00 0.00 175.76 174.32 2br2 s ILE 55 N -0.88 2.79 -0.01 0.00 2.07 -0.16 -1.13 121.20 123.88 2br2 s ILE 55 Ca 0.03 -0.82 0.04 0.00 -1.41 0.00 0.00 60.65 58.49 2br2 s ILE 55 Cb -0.08 -2.08 -0.01 0.00 0.13 0.00 0.00 42.46 40.42 2br2 s ILE 55 CO 0.01 0.58 -0.13 0.00 -1.91 0.00 0.00 174.94 173.50 2br2 s ALA 56 N -0.55 1.08 -0.02 1.50 0.00 -0.13 -0.66 121.76 122.98 2br2 s ALA 56 Ca 0.08 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.52 2br2 s ALA 56 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2br2 s ALA 56 CO 0.01 0.26 -0.16 0.00 0.00 0.00 0.00 175.76 175.88 2br2 s ALA 57 N -0.30 1.33 -0.12 0.00 0.00 0.14 -1.70 121.76 121.11 2br2 s ALA 57 Ca 0.05 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.35 2br2 s ALA 57 Cb -0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2br2 s ALA 57 CO -0.00 0.30 -0.16 0.08 0.00 0.00 0.00 175.76 175.98 2br2 s VAL 58 N -0.26 2.82 -0.38 0.00 1.01 0.10 -0.68 120.40 123.01 2br2 s VAL 58 Ca 0.04 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2br2 s VAL 58 Cb -0.07 -2.16 0.08 0.00 0.00 0.00 0.00 36.38 34.22 2br2 s VAL 58 CO -0.00 0.53 0.17 -0.31 0.00 0.00 0.00 175.10 175.49 2br2 s TYR 59 N 0.37 3.39 1.35 5.22 1.51 -0.25 -0.78 117.35 128.17 2br2 s TYR 59 Ca -0.12 -1.87 -0.21 0.00 -1.01 0.00 0.00 57.07 53.86 2br2 s TYR 59 Cb -0.16 -2.79 0.33 0.00 -0.11 0.00 0.00 41.96 39.23 2br2 s TYR 59 CO 0.06 -0.87 0.77 0.41 -1.11 0.00 0.00 175.55 174.81 2br2 n GLY 60 N 4.74 -3.45 3.67 0.71 0.00 -1.26 -2.58 105.19 107.02 2br2 n GLY 60 Ca -0.08 -1.47 -0.47 0.00 0.00 0.00 0.00 46.02 44.00 2br2 n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2br2 n PRO 61 N -4.86 2.05 -3.75 1.61 -0.02 -1.26 -4.67 135.00 124.10 2br2 n PRO 61 Ca 0.11 0.74 -0.13 0.00 -2.02 0.00 0.00 63.50 62.20 2br2 n PRO 61 Cb 0.54 -2.52 -0.09 0.00 -0.02 0.00 0.00 33.50 31.41 2br2 n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2br2 s LYS 62 N 1.75 0.62 0.26 -0.52 -2.85 -0.92 -4.95 119.74 113.12 2br2 s LYS 62 Ca 0.83 0.03 -0.29 0.00 -1.00 0.00 0.00 55.97 55.54 2br2 s LYS 62 Cb -0.71 0.28 -0.15 0.00 -2.06 0.00 0.00 37.83 35.19 2br2 s LYS 62 CO 0.43 -0.15 1.01 0.39 0.10 0.00 0.00 175.35 177.13 2br2 n GLU 63 N 1.72 1.24 -3.57 1.78 1.02 -1.26 -0.40 120.64 121.16 2br2 n GLU 63 Ca -0.19 0.44 -0.36 0.00 -0.02 0.00 0.00 57.16 57.02 2br2 n GLU 63 Cb 0.56 -1.81 -0.07 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.27 4.23 0.00 3.49 1.75 -1.19 -4.70 119.30 121.61 2br2 s MET 64 Ca 0.62 0.05 0.00 0.00 -1.25 0.00 0.00 55.69 55.11 2br2 s MET 64 Cb -0.74 -3.42 0.00 0.00 2.84 0.00 0.00 34.83 33.51 2br2 s MET 64 CO 0.58 0.26 0.69 -2.39 -0.65 0.00 0.00 175.02 173.51 2br2 n HIS 65 N 3.51 0.00 -3.21 4.11 1.44 -1.26 -3.85 115.22 115.97 2br2 n HIS 65 Ca -0.13 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.17 2br2 n HIS 65 Cb 0.52 -0.21 -0.08 0.00 0.12 0.00 0.00 29.99 30.34 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 -1.87 3.54 0.46 -1.40 0.05 -1.26 -4.97 135.00 129.54 2br2 s PRO 66 Ca 0.00 -0.21 0.15 0.00 0.05 0.00 0.00 61.00 60.99 2br2 s PRO 66 Cb 0.00 -3.84 1.10 0.00 0.05 0.00 0.00 34.50 31.81 2br2 s PRO 66 CO 0.00 -0.73 2.01 -0.09 0.05 0.00 0.00 177.00 178.24 2br2 h ARG 67 N 8.54 0.30 0.00 4.56 2.43 -1.99 -1.32 114.38 126.91 2br2 h ARG 67 Ca -0.27 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2br2 h ARG 67 Cb 1.12 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2br2 h ARG 67 CO 0.80 0.20 0.00 1.12 -1.51 0.00 0.00 179.97 180.58 2br2 h HIS 68 N 0.31 0.00 -0.01 2.20 2.07 -1.93 -0.73 115.15 117.06 2br2 h HIS 68 Ca 0.23 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.75 2br2 h HIS 68 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 2br2 h HIS 68 CO -0.00 0.00 -0.18 1.28 -3.07 0.00 0.00 177.93 175.96 2br2 n LEU 69 N -2.98 0.92 -4.96 6.12 4.77 -0.50 -4.90 117.00 115.47 2br2 n LEU 69 Ca -0.02 -0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 55.50 2br2 n LEU 69 Cb 0.12 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2br2 n LEU 69 CO 0.20 0.17 0.56 -0.94 -1.33 0.00 0.00 177.39 176.05 2br2 s SER 70 N -2.42 4.65 0.04 -1.43 1.04 -0.28 -5.00 113.70 110.30 2br2 s SER 70 Ca 0.28 0.09 0.09 0.00 0.48 0.00 0.00 55.95 56.89 2br2 s SER 70 Cb 0.20 -0.67 -0.03 0.00 0.10 0.00 0.00 66.02 65.62 2br2 s SER 70 CO 0.48 -1.65 -0.26 -0.76 0.98 0.00 0.00 173.24 172.03 2br2 s LEU 71 N -5.15 2.17 0.43 2.42 1.43 -1.26 -5.02 118.68 113.70 2br2 s LEU 71 Ca 0.62 -0.58 0.27 0.00 -1.03 0.00 0.00 54.13 53.41 2br2 s LEU 71 Cb -0.09 -1.24 0.79 0.00 0.03 0.00 0.00 46.19 45.69 2br2 s LEU 71 CO 0.44 0.24 1.76 1.55 0.23 0.00 0.00 176.35 180.57 2br2 h PRO 72 N 4.81 0.00 0.00 1.29 0.13 -1.97 -0.62 132.00 135.64 2br2 h PRO 72 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2br2 h PRO 72 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2br2 h PRO 72 CO 0.44 0.00 -0.62 -0.40 -0.23 0.00 0.00 178.00 177.18 2br2 n ASP 73 N -2.91 1.68 -4.04 1.44 5.75 -1.26 -4.60 116.55 112.62 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 0.42 1.09 -0.09 0.00 -1.03 0.00 0.00 41.12 41.51 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 -1.80 0.90 0.35 0.11 0.52 -1.26 -4.38 118.95 113.39 2br2 s ARG 74 Ca 0.00 -1.24 -0.14 0.00 -0.52 0.00 0.00 55.73 53.83 2br2 s ARG 74 Cb 0.03 0.29 -0.08 0.00 0.52 0.00 0.00 34.95 35.71 2br2 s ARG 74 CO 0.20 -0.27 0.76 0.00 0.02 0.00 0.00 175.30 176.01 2br2 s ALA 75 N -3.97 3.30 -0.21 2.13 0.00 -0.11 -2.96 121.76 119.95 2br2 s ALA 75 Ca 0.15 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.99 2br2 s ALA 75 Cb 0.06 -2.78 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 2br2 s ALA 75 CO -0.04 0.22 0.25 0.08 0.00 0.00 0.00 175.76 176.28 2br2 s VAL 76 N -2.11 5.31 -0.05 0.00 1.01 -0.21 -4.93 120.40 119.43 2br2 s VAL 76 Ca 0.54 0.40 -0.22 0.00 0.00 0.00 0.00 61.98 62.70 2br2 s VAL 76 Cb -0.10 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2br2 s VAL 76 CO 0.21 0.33 0.64 -0.76 0.00 0.00 0.00 175.10 175.52 2br2 s LEU 77 N 0.98 4.35 -0.20 3.92 1.43 -1.26 -1.03 118.68 126.87 2br2 s LEU 77 Ca 0.12 1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 54.35 2br2 s LEU 77 Cb -0.14 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.11 2br2 s LEU 77 CO 0.05 -0.02 -0.12 -0.13 0.23 0.00 0.00 176.35 176.36 2br2 s ARG 78 N 0.41 3.12 -0.03 1.70 0.52 -0.46 -4.95 118.95 119.26 2br2 s ARG 78 Ca 0.34 -0.77 0.05 0.00 -0.52 0.00 0.00 55.73 54.83 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 -0.23 -0.20 0.08 0.02 0.00 0.00 175.30 175.14 2br2 s VAL 79 N 1.37 1.62 -0.16 3.52 1.01 -1.26 0.03 120.40 126.53 2br2 s VAL 79 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2br2 s VAL 79 Cb -0.14 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.90 2br2 s VAL 79 CO -0.08 0.46 -0.13 -0.60 0.00 0.00 0.00 175.10 174.75 2br2 s ARG 80 N -0.21 2.20 -0.26 2.72 3.52 -0.58 -4.92 118.95 121.42 2br2 s ARG 80 Ca 0.01 -0.63 -0.09 0.00 -0.13 0.00 0.00 55.73 54.89 2br2 s ARG 80 Cb -0.10 -2.18 -0.04 0.00 -1.56 0.00 0.00 34.95 31.06 2br2 s ARG 80 CO 0.01 -0.29 0.13 -0.47 -0.81 0.00 0.00 175.30 173.87 2br2 s TYR 81 N 1.47 3.18 -0.03 5.12 5.04 -1.26 -1.16 117.35 129.71 2br2 s TYR 81 Ca 0.03 -0.07 -0.04 0.00 -2.44 0.00 0.00 57.07 54.55 2br2 s TYR 81 Cb -0.14 -2.30 0.01 0.00 0.35 0.00 0.00 41.96 39.88 2br2 s TYR 81 CO -0.10 -0.19 0.09 -1.58 -1.34 0.00 0.00 175.55 172.43 2br2 s HIS 82 N 1.54 -0.05 -0.19 4.97 2.46 -0.94 -4.81 115.29 118.27 2br2 s HIS 82 Ca 0.06 0.13 -0.06 0.00 0.47 0.00 0.00 55.06 55.66 2br2 s HIS 82 Cb -0.15 0.00 -0.03 0.00 -0.13 0.00 0.00 32.58 32.27 2br2 s HIS 82 CO 0.07 -0.10 0.02 -1.64 -2.47 0.00 0.00 174.74 170.63 2br2 s MET 83 N -0.29 3.75 0.56 2.88 1.00 -1.26 -0.15 119.30 125.78 2br2 s MET 83 Ca -0.04 -0.46 -0.20 0.00 0.00 0.00 0.00 55.69 55.00 2br2 s MET 83 Cb -0.03 -3.13 -0.04 0.00 0.00 0.00 0.00 34.83 31.63 2br2 s MET 83 CO 0.00 0.11 1.23 0.95 0.00 0.00 0.00 175.02 177.31 2br2 s THR 84 N 0.78 2.61 0.62 2.05 -4.23 -0.70 -4.83 115.64 111.94 2br2 s THR 84 Ca 0.01 0.41 0.33 0.00 -1.18 0.00 0.00 61.69 61.26 2br2 s THR 84 Cb -0.14 -3.18 0.37 0.00 1.34 0.00 0.00 72.50 70.89 2br2 s THR 84 CO 0.02 -0.06 2.16 -0.65 -0.54 0.00 0.00 174.62 175.56 2br2 h PRO 85 N 1.17 0.00 -0.48 3.99 0.11 -1.91 -1.98 132.00 132.90 2br2 h PRO 85 Ca -0.50 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2br2 h PRO 85 Cb 1.29 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 2br2 h PRO 85 CO 0.56 0.00 0.05 1.97 -0.21 0.00 0.00 178.00 180.37 2br2 n PHE 86 N -3.48 1.71 0.64 0.65 1.16 -1.26 -2.18 117.46 114.70 2br2 n PHE 86 Ca -0.01 -0.92 0.12 0.00 -1.87 0.00 0.00 57.45 54.77 2br2 n PHE 86 Cb 0.24 -0.48 0.26 0.00 -1.61 0.00 0.00 39.48 37.89 2br2 n PHE 86 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2br2 n SER 87 N -0.03 0.68 -4.43 5.98 3.41 -0.74 -4.86 113.62 113.62 2br2 n SER 87 Ca 0.28 0.23 -0.26 0.00 -0.26 0.00 0.00 58.87 58.86 2br2 n SER 87 Cb 1.12 -0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.87 2br2 n SER 87 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2br2 s THR 88 N -3.13 1.10 0.13 6.66 -4.23 -1.26 -0.45 115.64 114.47 2br2 s THR 88 Ca 0.08 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.46 2br2 s THR 88 Cb 0.14 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 2br2 s THR 88 CO 0.68 0.00 1.52 0.44 -0.54 0.00 0.00 174.62 176.72 2br2 h ASP 89 N 1.81 0.84 -2.89 3.99 3.32 -1.91 -3.41 116.42 118.16 2br2 h ASP 89 Ca -0.40 -0.39 -0.64 0.00 0.02 0.00 0.00 57.03 55.63 2br2 h ASP 89 Cb 1.27 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.51 2br2 h ASP 89 CO 0.68 1.04 -0.39 -1.61 -1.72 0.00 0.00 179.24 177.24 2br2 s GLU 90 N -4.70 3.76 0.12 3.56 2.02 -1.26 -5.04 118.70 117.16 2br2 s GLU 90 Ca -0.12 0.04 -0.31 0.00 0.02 0.00 0.00 54.97 54.60 2br2 s GLU 90 Cb 0.10 -3.25 -0.10 0.00 0.10 0.00 0.00 34.13 30.98 2br2 s GLU 90 CO 0.83 0.63 1.86 0.50 0.02 0.00 0.00 175.26 179.10 2br2 s ARG 91 N -0.69 4.13 0.20 1.61 3.52 -1.26 -4.92 118.95 121.53 2br2 s ARG 91 Ca 0.17 2.62 -0.30 0.00 -0.13 0.00 0.00 55.73 58.09 2br2 s ARG 91 Cb -0.13 -3.64 -0.08 0.00 -1.56 0.00 0.00 34.95 29.54 2br2 s ARG 91 CO 0.06 -0.86 0.93 0.15 -0.81 0.00 0.00 175.30 174.77 2br2 s LYS 92 N 2.88 4.79 0.10 5.12 1.02 -0.93 -5.03 119.74 127.68 2br2 s LYS 92 Ca 0.82 1.45 -0.31 0.00 0.02 0.00 0.00 55.97 57.95 2br2 s LYS 92 Cb -0.46 -3.31 -0.09 0.00 -0.52 0.00 0.00 37.83 33.45 2br2 s LYS 92 CO 0.37 0.43 1.63 1.21 -0.92 0.00 0.00 175.35 178.07 2br2 s ASN 93 N -0.83 6.60 0.59 2.83 3.84 -1.26 -4.30 114.94 122.41 2br2 s ASN 93 Ca 0.42 2.52 0.36 0.00 0.21 0.00 0.00 52.86 56.38 2br2 s ASN 93 Cb -0.25 -2.57 1.77 0.00 -0.55 0.00 0.00 41.25 39.65 2br2 s ASN 93 CO 0.31 -0.87 2.14 1.55 -2.79 0.00 0.00 177.10 177.45 2br2 h PRO 94 N 7.87 0.00 -6.83 0.43 0.13 -1.96 -3.44 132.00 128.20 2br2 h PRO 94 Ca -0.43 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.16 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 0.92 0.03 0.80 0.00 -0.23 0.00 0.00 178.00 179.53 2br2 n ALA 95 N -2.13 2.33 -1.96 -0.56 0.00 -1.26 -4.89 120.51 112.04 2br2 n ALA 95 Ca -0.01 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 2br2 n ALA 95 Cb 0.21 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 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 -1.19 4.32 0.46 0.00 0.02 -1.26 -5.00 135.00 132.35 2br2 s PRO 96 Ca 0.60 2.18 -0.03 0.00 0.02 0.00 0.00 61.00 63.76 2br2 s PRO 96 Cb -0.50 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 30.84 2br2 s PRO 96 CO 0.55 -0.36 0.73 -1.54 -0.33 0.00 0.00 177.00 176.05 2br2 s SER 97 N 0.47 6.07 0.28 2.53 1.04 -1.26 -4.93 113.70 117.89 2br2 s SER 97 Ca 0.59 0.65 0.01 0.00 0.48 0.00 0.00 55.95 57.68 2br2 s SER 97 Cb -0.39 -1.96 0.55 0.00 0.10 0.00 0.00 66.02 64.31 2br2 s SER 97 CO 0.39 -0.62 1.82 0.03 0.98 0.00 0.00 173.24 175.84 2br2 h ARG 98 N 0.31 0.88 -0.73 4.02 3.08 -1.99 0.38 114.38 120.33 2br2 h ARG 98 Ca -0.47 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.56 2br2 h ARG 98 Cb 1.23 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 31.03 2br2 h ARG 98 CO 0.60 0.58 0.46 -0.09 -1.07 0.00 0.00 179.97 180.45 2br2 h ARG 99 N 0.91 0.87 -0.48 0.04 2.43 -1.99 -0.21 114.38 115.94 2br2 h ARG 99 Ca 0.49 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.51 2br2 h ARG 99 Cb 0.53 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2br2 h ARG 99 CO -0.28 0.57 -0.10 0.93 -1.51 0.00 0.00 179.97 179.58 2br2 h GLU 100 N 0.89 0.87 -0.06 0.20 5.08 -1.36 -1.13 114.58 119.07 2br2 h GLU 100 Ca 0.29 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2br2 h GLU 100 Cb 0.02 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2br2 h GLU 100 CO -0.11 0.93 0.03 0.82 -1.00 0.00 0.00 179.01 179.68 2br2 h ILE 101 N 0.78 1.12 0.06 3.13 2.04 -0.60 -0.32 117.51 123.73 2br2 h ILE 101 Ca 0.13 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2br2 h ILE 101 Cb 0.61 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2br2 h ILE 101 CO 0.04 0.10 -0.03 -0.08 0.00 0.00 0.00 178.15 178.18 2br2 h GLU 102 N -0.04 -0.08 -0.29 2.37 4.81 -0.94 -2.78 114.58 117.63 2br2 h GLU 102 Ca 0.02 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2br2 h GLU 102 Cb 0.14 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2br2 h GLU 102 CO -0.00 -0.06 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.13 2br2 h LEU 103 N -0.09 0.41 -0.71 1.64 3.38 -1.10 -0.31 115.31 118.53 2br2 h LEU 103 Ca -0.01 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2br2 h LEU 103 Cb 0.07 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2br2 h LEU 103 CO 0.01 0.50 0.46 0.28 0.09 0.00 0.00 178.44 179.78 2br2 h SER 104 N 0.43 0.78 -0.15 -0.43 0.02 -0.94 0.19 113.55 113.45 2br2 h SER 104 Ca 0.09 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2br2 h SER 104 Cb 0.32 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2br2 h SER 104 CO 0.01 0.55 -0.03 0.50 -1.14 0.00 0.00 176.83 176.72 2br2 h LYS 105 N 0.92 0.29 -0.68 3.45 3.64 -0.93 0.00 116.57 123.27 2br2 h LYS 105 Ca 0.27 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2br2 h LYS 105 Cb -0.05 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2br2 h LYS 105 CO -0.08 0.56 0.37 0.28 -2.27 0.00 0.00 179.45 178.31 2br2 h VAL 106 N -0.00 1.21 -0.28 2.00 2.07 -0.87 -0.89 116.25 119.49 2br2 h VAL 106 Ca 0.04 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2br2 h VAL 106 Cb 0.45 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2br2 h VAL 106 CO 0.01 0.24 0.00 0.40 0.02 0.00 0.00 177.57 178.24 2br2 h ILE 107 N 0.93 1.25 -0.47 4.57 2.04 -0.57 -2.45 117.51 122.81 2br2 h ILE 107 Ca 0.24 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.27 2br2 h ILE 107 Cb 0.05 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 2br2 h ILE 107 CO -0.04 0.29 0.04 -0.09 0.00 0.00 0.00 178.15 178.36 2br2 h ARG 108 N 0.28 0.16 -0.67 2.37 2.43 -0.64 -1.58 114.38 116.73 2br2 h ARG 108 Ca 0.08 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2br2 h ARG 108 Cb 0.42 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2br2 h ARG 108 CO 0.01 0.10 0.23 0.93 -1.51 0.00 0.00 179.97 179.74 2br2 h GLU 109 N 0.16 1.00 -0.67 0.20 5.08 -1.11 -0.09 114.58 119.16 2br2 h GLU 109 Ca 0.24 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2br2 h GLU 109 Cb 0.34 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2br2 h GLU 109 CO -0.36 0.84 0.44 0.00 -1.00 0.00 0.00 179.01 178.93 2br2 h ALA 110 N 1.28 0.85 -0.20 3.43 0.00 -0.91 -2.35 119.26 121.36 2br2 h ALA 110 Ca 0.22 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2br2 h ALA 110 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2br2 h ALA 110 CO -0.01 0.25 -0.45 -0.07 0.00 0.00 0.00 179.25 178.97 2br2 h LEU 111 N 0.89 0.53 -1.59 0.00 3.38 -0.48 -2.98 115.31 115.06 2br2 h LEU 111 Ca 0.25 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2br2 h LEU 111 Cb -0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2br2 h LEU 111 CO -0.06 0.91 -0.19 -0.33 0.09 0.00 0.00 178.44 178.86 2br2 h GLU 112 N 0.40 0.02 0.00 1.13 5.08 -0.54 0.23 114.58 120.91 2br2 h GLU 112 Ca 0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2br2 h GLU 112 Cb 0.95 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2br2 h GLU 112 CO 0.08 0.21 0.00 0.66 -1.00 0.00 0.00 179.01 178.96 2br2 h SER 113 N 0.02 0.00 0.00 1.42 4.64 -1.29 -3.33 113.55 115.00 2br2 h SER 113 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 2br2 h SER 113 Cb 0.35 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 2br2 h SER 113 CO 0.03 0.00 -2.08 0.00 -0.87 0.00 0.00 176.83 173.90 2br2 n ALA 114 N -1.82 1.61 -2.37 5.18 0.00 -0.28 -4.85 120.51 117.99 2br2 n ALA 114 Ca 0.03 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 2br2 n ALA 114 Cb 0.32 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 2br2 n ALA 114 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2br2 s VAL 115 N -2.37 4.21 -1.37 0.00 1.01 0.65 0.05 120.40 122.58 2br2 s VAL 115 Ca -0.26 1.69 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 2br2 s VAL 115 Cb 0.07 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.40 2br2 s VAL 115 CO 0.42 0.19 2.13 0.18 0.00 0.00 0.00 175.10 178.01 2br2 n LEU 116 N 3.39 6.30 0.28 3.92 4.77 -0.79 -4.75 117.00 130.11 2br2 n LEU 116 Ca 0.06 -3.99 0.13 0.00 -0.03 0.00 0.00 56.01 52.18 2br2 n LEU 116 Cb 0.48 -1.63 0.79 0.00 -2.33 0.00 0.00 43.42 40.73 2br2 n LEU 116 CO 0.54 0.80 1.04 -0.37 -1.33 0.00 0.00 177.39 178.07 2br2 h VAL 117 N 4.30 0.61 0.00 4.08 -1.51 -1.89 -2.50 116.25 119.34 2br2 h VAL 117 Ca 0.53 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 65.72 2br2 h VAL 117 Cb 0.68 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2br2 h VAL 117 CO 1.83 0.07 -0.05 -0.33 -1.23 0.00 0.00 177.57 177.86 2br2 h GLU 118 N 0.00 0.00 0.00 5.19 3.07 -1.86 -0.02 114.58 120.97 2br2 h GLU 118 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2br2 h GLU 118 Cb 0.17 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2br2 h GLU 118 CO 0.01 0.05 -0.02 -0.07 -1.40 0.00 0.00 179.01 177.57 2br2 h LEU 119 N 0.00 0.00 -6.06 1.33 4.07 -1.72 -3.36 115.31 109.57 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 0.12 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.45 2br2 h LEU 119 CO 0.01 0.02 -0.82 0.49 -1.08 0.00 0.00 178.44 177.06 2br2 n PHE 120 N -3.21 2.00 -1.64 1.13 3.01 -0.67 -5.05 117.46 113.03 2br2 n PHE 120 Ca -0.02 -3.91 -0.35 0.00 1.01 0.00 0.00 57.45 54.18 2br2 n PHE 120 Cb 0.18 -0.47 0.07 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 -2.04 2.43 -0.89 -1.08 0.02 -1.26 -2.51 135.00 129.67 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 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.83 2br2 s PRO 121 CO -0.06 -1.63 0.00 0.54 -0.33 0.00 0.00 177.00 175.52 2br2 n ARG 122 N -2.26 -1.51 -4.32 5.54 5.12 -0.24 -4.87 116.66 114.11 2br2 n ARG 122 Ca 0.14 0.76 -0.25 0.00 -1.93 0.00 0.00 57.85 56.57 2br2 n ARG 122 Cb 0.50 -5.04 -0.08 0.00 -1.16 0.00 0.00 32.46 26.67 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 -1.84 2.56 0.01 0.55 -4.23 -1.17 -3.18 115.64 108.33 2br2 s THR 123 Ca 0.00 -1.93 0.08 0.00 -1.18 0.00 0.00 61.69 58.66 2br2 s THR 123 Cb 0.00 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 2br2 s THR 123 CO 0.00 -0.16 -0.25 0.00 -0.54 0.00 0.00 174.62 173.67 2br2 s ALA 124 N -2.54 2.09 -0.25 3.99 0.00 0.46 -1.05 121.76 124.47 2br2 s ALA 124 Ca 0.36 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2br2 s ALA 124 Cb 0.01 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.67 2br2 s ALA 124 CO 0.20 0.50 -0.06 0.42 0.00 0.00 0.00 175.76 176.82 2br2 s ILE 125 N -0.67 2.87 -0.22 0.00 1.01 -0.19 -2.17 121.20 121.82 2br2 s ILE 125 Ca 0.10 -1.05 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 2br2 s ILE 125 Cb -0.10 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 2br2 s ILE 125 CO 0.00 0.18 0.36 -1.81 0.00 0.00 0.00 174.94 173.67 2br2 s ASP 126 N 1.32 6.36 -0.25 3.58 1.01 -1.07 -1.35 116.67 126.27 2br2 s ASP 126 Ca -0.00 0.42 0.01 0.00 0.71 0.00 0.00 52.55 53.69 2br2 s ASP 126 Cb -0.17 -2.21 0.05 0.00 1.01 0.00 0.00 42.92 41.60 2br2 s ASP 126 CO -0.04 -0.07 -0.10 -0.69 0.21 0.00 0.00 175.17 174.48 2br2 s VAL 127 N 1.37 2.37 -0.16 -1.27 1.01 0.10 -1.09 120.40 122.74 2br2 s VAL 127 Ca 0.17 -1.38 -0.04 0.00 0.00 0.00 0.00 61.98 60.72 2br2 s VAL 127 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2br2 s VAL 127 CO 0.08 0.10 -0.03 -0.36 0.00 0.00 0.00 175.10 174.88 2br2 s PHE 128 N 1.19 3.03 -0.06 5.22 0.40 0.14 -1.53 117.98 126.38 2br2 s PHE 128 Ca -0.05 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 2br2 s PHE 128 Cb -0.18 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.37 2br2 s PHE 128 CO -0.06 -0.05 -0.18 0.99 0.70 0.00 0.00 175.22 176.62 2br2 s THR 129 N 0.43 1.50 -0.09 0.64 2.01 -0.31 -0.68 115.64 119.15 2br2 s THR 129 Ca -0.03 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.24 2br2 s THR 129 Cb -0.14 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.09 2br2 s THR 129 CO 0.03 0.43 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.72 2br2 s GLU 130 N 0.21 1.26 -0.32 4.92 0.41 0.16 -2.22 118.70 123.12 2br2 s GLU 130 Ca -0.09 -0.18 -0.26 0.00 -0.41 0.00 0.00 54.97 54.03 2br2 s GLU 130 Cb -0.14 -1.31 0.01 0.00 -1.78 0.00 0.00 34.13 30.91 2br2 s GLU 130 CO 0.04 -0.20 0.91 0.42 -0.49 0.00 0.00 175.26 175.94 2br2 s ILE 131 N 1.46 4.66 -0.05 -1.63 1.09 0.79 -0.98 121.20 126.54 2br2 s ILE 131 Ca -0.01 1.37 0.05 0.00 -1.10 0.00 0.00 60.65 60.97 2br2 s ILE 131 Cb -0.13 -4.27 -0.24 0.00 -1.06 0.00 0.00 42.46 36.75 2br2 s ILE 131 CO -0.04 -0.38 0.64 -0.07 -0.10 0.00 0.00 174.94 174.99 2br2 h LEU 132 N 9.77 0.16 -7.59 2.97 3.38 -0.54 -1.86 115.31 121.59 2br2 h LEU 132 Ca -0.23 -0.32 -0.20 0.00 0.09 0.00 0.00 57.88 57.22 2br2 h LEU 132 Cb 1.08 -0.05 -0.27 0.00 0.09 0.00 0.00 40.66 41.51 2br2 h LEU 132 CO 0.95 1.28 -0.58 -1.10 0.09 0.00 0.00 178.44 179.08 2br2 s GLN 133 N -2.60 0.13 -0.16 1.13 -0.21 -1.10 -4.11 119.66 112.74 2br2 s GLN 133 Ca -0.10 0.19 -0.03 0.00 0.02 0.00 0.00 55.36 55.44 2br2 s GLN 133 Cb 0.08 0.04 -0.02 0.00 1.00 0.00 0.00 33.01 34.10 2br2 s GLN 133 CO 0.81 -0.03 -0.07 0.00 -2.12 0.00 0.00 175.29 173.88 2br2 s ALA 134 N 0.19 2.84 -0.33 6.09 0.00 0.41 -0.60 121.76 130.36 2br2 s ALA 134 Ca -0.01 -0.92 0.17 0.00 0.00 0.00 0.00 51.96 51.20 2br2 s ALA 134 Cb -0.02 -1.49 0.45 0.00 0.00 0.00 0.00 23.12 22.07 2br2 s ALA 134 CO -0.01 0.08 1.06 -3.47 0.00 0.00 0.00 175.76 173.42 2br2 n ASP 135 N 3.82 0.81 -0.71 0.00 2.03 -1.26 -4.79 116.55 116.46 2br2 n ASP 135 Ca -0.18 -2.57 0.00 0.00 0.52 0.00 0.00 54.79 52.57 2br2 n ASP 135 Cb 0.52 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 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 -0.26 -1.28 -0.90 -1.67 0.00 -1.26 -3.29 120.51 111.84 2br2 n ALA 136 Ca 0.06 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2br2 n ALA 136 Cb 0.82 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.74 0.52 0.26 0.00 0.00 -1.26 -4.76 105.19 98.21 2br2 n GLY 137 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 0.41 -0.69 1.61 0.02 -1.95 -1.30 113.55 111.65 2br2 h SER 138 Ca 0.00 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2br2 h SER 138 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2br2 h SER 138 CO 0.00 0.23 0.45 0.08 -1.14 0.00 0.00 176.83 176.46 2br2 h ARG 139 N 0.56 0.75 0.14 3.45 0.11 -1.99 0.15 114.38 117.56 2br2 h ARG 139 Ca 0.35 -0.05 -0.28 0.00 0.10 0.00 0.00 59.98 60.10 2br2 h ARG 139 Cb 0.39 -0.17 0.03 0.00 1.11 0.00 0.00 29.97 31.33 2br2 h ARG 139 CO -0.28 0.50 -1.18 -0.07 0.10 0.00 0.00 179.97 179.04 2br2 h LEU 140 N 0.77 0.79 -0.58 0.08 3.38 -1.67 -1.37 115.31 116.71 2br2 h LEU 140 Ca 0.28 -0.86 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 2br2 h LEU 140 Cb 0.15 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2br2 h LEU 140 CO -0.09 1.57 0.32 0.58 0.09 0.00 0.00 178.44 180.92 2br2 h VAL 141 N 0.12 1.19 -0.29 1.22 2.07 -0.97 0.78 116.25 120.37 2br2 h VAL 141 Ca -0.19 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 66.90 2br2 h VAL 141 Cb 1.88 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2br2 h VAL 141 CO 0.22 0.20 0.13 -1.28 0.02 0.00 0.00 177.57 176.86 2br2 h SER 142 N 0.78 0.18 -0.53 0.57 0.87 -0.75 0.06 113.55 114.73 2br2 h SER 142 Ca 0.20 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 2br2 h SER 142 Cb 0.03 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 2br2 h SER 142 CO -0.03 0.14 0.31 0.25 -0.53 0.00 0.00 176.83 176.97 2br2 h LEU 143 N 0.28 0.65 -0.35 2.23 5.85 -0.61 -0.59 115.31 122.77 2br2 h LEU 143 Ca 0.12 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 2br2 h LEU 143 Cb 0.06 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2br2 h LEU 143 CO -0.10 0.53 -0.12 0.24 -0.34 0.00 0.00 178.44 178.65 2br2 h MET 144 N 0.72 0.70 -0.64 1.25 2.86 -0.69 0.09 114.93 119.22 2br2 h MET 144 Ca 0.19 -0.28 0.08 0.00 -2.06 0.00 0.00 59.70 57.63 2br2 h MET 144 Cb 0.01 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.57 2br2 h MET 144 CO -0.03 0.88 0.30 0.00 1.06 0.00 0.00 176.91 179.12 2br2 h ALA 145 N 0.80 0.86 0.21 6.32 0.00 -0.76 0.74 119.26 127.44 2br2 h ALA 145 Ca 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2br2 h ALA 145 Cb 0.64 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2br2 h ALA 145 CO 0.04 -0.09 -0.15 0.00 0.00 0.00 0.00 179.25 179.05 2br2 h ALA 146 N 1.39 -0.35 -0.60 0.00 0.00 -0.76 0.36 119.26 119.30 2br2 h ALA 146 Ca 0.31 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.28 2br2 h ALA 146 Cb 0.31 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 2br2 h ALA 146 CO -0.25 -0.71 0.10 1.03 0.00 0.00 0.00 179.25 179.42 2br2 h SER 147 N -0.37 -0.06 0.01 0.00 0.87 -0.24 -0.33 113.55 113.42 2br2 h SER 147 Ca -0.01 0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 2br2 h SER 147 Cb 0.32 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2br2 h SER 147 CO 0.00 -0.02 -0.47 -0.07 -0.53 0.00 0.00 176.83 175.74 2br2 h LEU 148 N 0.22 0.59 -0.93 2.23 3.38 -0.66 -1.99 115.31 118.15 2br2 h LEU 148 Ca 0.32 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2br2 h LEU 148 Cb 0.48 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2br2 h LEU 148 CO -0.43 0.97 0.09 0.00 0.09 0.00 0.00 178.44 179.16 2br2 h ALA 149 N 1.05 1.12 -0.43 1.53 0.00 -0.02 0.28 119.26 122.80 2br2 h ALA 149 Ca 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2br2 h ALA 149 Cb 0.99 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2br2 h ALA 149 CO 0.09 0.58 0.12 -0.07 0.00 0.00 0.00 179.25 179.97 2br2 h LEU 150 N 0.83 0.64 -0.46 0.00 3.38 -0.91 0.95 115.31 119.75 2br2 h LEU 150 Ca 0.17 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2br2 h LEU 150 Cb 0.37 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2br2 h LEU 150 CO 0.01 0.69 0.28 0.00 0.09 0.00 0.00 178.44 179.50 2br2 h ALA 151 N 0.98 0.58 -0.62 1.53 0.00 -0.86 -1.80 119.26 119.06 2br2 h ALA 151 Ca 0.14 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2br2 h ALA 151 Cb 0.29 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2br2 h ALA 151 CO -0.00 0.07 0.41 0.22 0.00 0.00 0.00 179.25 179.95 2br2 h ASP 152 N 0.61 0.52 0.69 0.00 3.58 -0.10 0.19 116.42 121.91 2br2 h ASP 152 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2br2 h ASP 152 Cb -0.01 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2br2 h ASP 152 CO -0.03 0.34 0.00 0.00 -2.88 0.00 0.00 179.24 176.67 2br2 n ALA 153 N -2.48 2.06 -1.77 -0.78 0.00 0.30 -4.71 120.51 113.13 2br2 n ALA 153 Ca 0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 2br2 n ALA 153 Cb 0.24 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 0.78 0.43 3.66 0.00 0.00 0.05 -4.90 105.19 105.21 2br2 n GLY 154 Ca 0.07 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2br2 n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br2 s ILE 155 N -2.34 4.92 0.21 -0.61 1.01 -0.75 -5.00 121.20 118.64 2br2 s ILE 155 Ca 0.00 1.46 -0.31 0.00 0.00 0.00 0.00 60.65 61.80 2br2 s ILE 155 Cb 0.00 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 38.30 2br2 s ILE 155 CO 0.00 0.03 1.60 -2.84 0.00 0.00 0.00 174.94 173.73 2br2 s PRO 156 N 2.24 4.18 0.19 2.79 0.02 -1.26 -4.51 135.00 138.65 2br2 s PRO 156 Ca 0.34 2.47 0.01 0.00 0.02 0.00 0.00 61.00 63.84 2br2 s PRO 156 Cb -0.16 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 2br2 s PRO 156 CO 0.10 -0.63 0.05 -1.64 -0.33 0.00 0.00 177.00 174.55 2br2 s MET 157 N 0.62 1.18 0.23 5.54 -1.94 -1.26 -1.89 119.30 121.78 2br2 s MET 157 Ca 0.69 -1.60 -0.02 0.00 -1.71 0.00 0.00 55.69 53.05 2br2 s MET 157 Cb -0.46 -0.16 0.24 0.00 2.01 0.00 0.00 34.83 36.45 2br2 s MET 157 CO 0.36 -0.21 1.64 0.00 -0.01 0.00 0.00 175.02 176.80 2br2 h ARG 158 N 2.62 0.68 -1.52 2.03 3.08 -0.71 -3.47 114.38 117.09 2br2 h ARG 158 Ca -0.37 -0.28 0.31 0.00 0.07 0.00 0.00 59.98 59.71 2br2 h ARG 158 Cb 1.22 -0.03 -0.12 0.00 0.08 0.00 0.00 29.97 31.12 2br2 h ARG 158 CO 0.61 0.87 0.80 0.34 -1.07 0.00 0.00 179.97 181.52 2br2 s ASP 159 N -6.78 -0.08 0.78 7.04 2.15 -1.26 -5.02 116.67 113.51 2br2 s ASP 159 Ca -0.08 -0.15 -0.11 0.00 0.43 0.00 0.00 52.55 52.64 2br2 s ASP 159 Cb 0.13 0.19 0.06 0.00 -0.30 0.00 0.00 42.92 43.00 2br2 s ASP 159 CO 0.82 -0.34 1.09 -0.76 -0.17 0.00 0.00 175.17 175.81 2br2 s LEU 160 N -2.91 2.68 -0.15 -1.34 1.43 -1.26 -4.94 118.68 112.19 2br2 s LEU 160 Ca 0.14 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.60 2br2 s LEU 160 Cb 0.04 -4.03 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 2br2 s LEU 160 CO -0.03 -1.91 -0.10 -0.63 0.23 0.00 0.00 176.35 173.90 2br2 s ILE 161 N -3.12 3.20 0.03 -0.59 1.01 -1.26 -4.09 121.20 116.37 2br2 s ILE 161 Ca 0.60 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.73 2br2 s ILE 161 Cb -0.14 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 2br2 s ILE 161 CO 0.54 0.50 -0.22 0.00 0.00 0.00 0.00 174.94 175.77 2br2 s ALA 162 N 0.59 1.86 0.01 9.38 0.00 -0.39 -4.63 121.76 128.59 2br2 s ALA 162 Ca -0.06 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 2br2 s ALA 162 Cb -0.15 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.60 2br2 s ALA 162 CO 0.03 0.43 0.32 0.20 0.00 0.00 0.00 175.76 176.75 2br2 s GLY 163 N -1.04 -0.16 0.01 0.00 0.00 -1.26 -0.69 107.32 104.18 2br2 s GLY 163 Ca 0.08 0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.97 2br2 s GLY 163 CO 0.01 0.02 0.14 -1.34 0.00 0.00 0.00 173.10 171.93 2br2 s VAL 164 N -1.83 0.10 -0.11 1.40 -7.23 -0.41 -4.90 120.40 107.41 2br2 s VAL 164 Ca -0.10 -0.79 -0.21 0.00 -1.81 0.00 0.00 61.98 59.07 2br2 s VAL 164 Cb -0.03 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 2br2 s VAL 164 CO 0.01 -0.44 0.59 0.00 -0.31 0.00 0.00 175.10 174.96 2br2 s ALA 165 N -1.75 3.43 0.28 1.32 0.00 -1.26 -0.98 121.76 122.80 2br2 s ALA 165 Ca -0.12 -0.08 0.09 0.00 0.00 0.00 0.00 51.96 51.85 2br2 s ALA 165 Cb -0.06 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 2br2 s ALA 165 CO -0.00 -0.14 0.04 0.54 0.00 0.00 0.00 175.76 176.20 2br2 s VAL 166 N 0.92 3.41 0.01 0.00 0.11 -0.50 0.20 120.40 124.54 2br2 s VAL 166 Ca 0.31 -1.84 -0.02 0.00 -2.93 0.00 0.00 61.98 57.50 2br2 s VAL 166 Cb -0.16 -2.91 0.01 0.00 -1.53 0.00 0.00 36.38 31.78 2br2 s VAL 166 CO 0.13 -0.33 0.08 0.61 -3.33 0.00 0.00 175.10 172.26 2br2 n GLY 167 N -0.97 1.18 2.90 6.54 0.00 -0.13 0.18 105.19 114.89 2br2 n GLY 167 Ca -0.06 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 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 1.23 0.00 1.61 2.20 -1.08 -0.51 119.74 121.19 2br2 s LYS 168 Ca 0.02 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2br2 s LYS 168 Cb -0.00 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.04 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 4.59 0.33 -2.86 3.13 0.00 0.32 -0.74 120.51 125.27 2br2 n ALA 169 Ca -0.16 -0.04 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 2br2 n ALA 169 Cb 0.50 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 -1.63 4.69 0.00 0.00 8.00 -1.26 -4.28 116.55 122.07 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 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 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 -0.27 2.14 3.72 0.44 0.00 -1.26 -5.02 105.19 104.94 2br2 n GLY 171 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 2br2 n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br2 s VAL 172 N -3.23 5.37 -0.04 1.61 1.01 -1.26 -5.07 120.40 118.78 2br2 s VAL 172 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 2br2 s VAL 172 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2br2 s VAL 172 CO 0.00 0.44 1.14 -0.63 0.00 0.00 0.00 175.10 176.05 2br2 s ILE 173 N 0.36 4.39 0.13 2.22 1.01 -1.26 -0.53 121.20 127.52 2br2 s ILE 173 Ca 0.08 1.70 0.05 0.00 0.00 0.00 0.00 60.65 62.48 2br2 s ILE 173 Cb -0.11 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2br2 s ILE 173 CO -0.02 0.03 -0.12 0.27 0.00 0.00 0.00 174.94 175.10 2br2 s ILE 174 N 1.89 1.24 -0.15 2.92 -4.36 0.34 -4.80 121.20 118.27 2br2 s ILE 174 Ca 0.54 -1.81 -0.02 0.00 -0.26 0.00 0.00 60.65 59.10 2br2 s ILE 174 Cb -0.24 -1.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.86 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 -2.66 3.00 -0.26 0.37 2.96 0.28 -0.95 118.68 121.41 2br2 s LEU 175 Ca 0.11 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 2br2 s LEU 175 Cb -0.03 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.96 2br2 s LEU 175 CO 0.02 0.15 0.19 -0.67 -1.32 0.00 0.00 176.35 174.72 2br2 n ASP 176 N 3.64 -6.30 -4.76 3.68 2.03 0.13 -4.67 116.55 110.30 2br2 n ASP 176 Ca -0.18 0.75 -0.39 0.00 0.52 0.00 0.00 54.79 55.50 2br2 n ASP 176 Cb 0.52 -4.13 -0.06 0.00 -0.72 0.00 0.00 41.12 36.74 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 -1.60 4.47 1.03 -2.67 1.43 -1.23 -4.77 118.68 115.34 2br2 s LEU 177 Ca 0.08 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 55.04 2br2 s LEU 177 Cb -0.02 -3.81 0.18 0.00 0.03 0.00 0.00 46.19 42.56 2br2 s LEU 177 CO 0.56 -0.04 0.86 0.59 0.23 0.00 0.00 176.35 178.55 2br2 n ASN 178 N 0.96 -1.04 -0.28 2.29 5.03 -1.26 -4.58 115.26 116.38 2br2 n ASN 178 Ca 0.00 0.15 -0.03 0.00 0.87 0.00 0.00 54.58 55.57 2br2 n ASN 178 Cb 0.48 -1.31 0.08 0.00 -1.02 0.00 0.00 39.78 38.01 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 -2.14 0.95 -0.60 3.52 4.81 -1.89 -0.50 114.58 118.72 2br2 h GLU 179 Ca -0.51 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.71 2br2 h GLU 179 Cb 1.30 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 2br2 h GLU 179 CO 0.42 0.63 0.34 1.15 -0.73 0.00 0.00 179.01 180.83 2br2 h THR 180 N 0.98 1.01 -0.21 0.32 2.02 -1.93 -0.05 112.91 115.05 2br2 h THR 180 Ca 0.30 -0.23 -0.15 0.00 0.77 0.00 0.00 66.41 67.10 2br2 h THR 180 Cb -0.04 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2br2 h THR 180 CO -0.09 0.12 -0.48 -0.33 0.37 0.00 0.00 175.52 175.11 2br2 h GLU 181 N 0.66 0.56 0.42 6.66 5.08 -1.90 -1.31 114.58 124.74 2br2 h GLU 181 Ca 0.26 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2br2 h GLU 181 Cb 0.11 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2br2 h GLU 181 CO -0.14 0.92 -0.20 0.22 -1.00 0.00 0.00 179.01 178.80 2br2 h ASP 182 N 0.44 -0.47 0.00 1.42 1.82 -0.61 0.10 116.42 119.13 2br2 h ASP 182 Ca 0.02 -0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.67 2br2 h ASP 182 Cb 1.01 0.12 -0.04 0.00 0.68 0.00 0.00 39.33 41.10 2br2 h ASP 182 CO 0.09 -0.29 -0.23 -0.03 -1.61 0.00 0.00 179.24 177.17 2br2 h MET 183 N -0.62 -0.35 0.00 0.28 4.05 -0.98 -3.36 114.93 113.95 2br2 h MET 183 Ca -0.06 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2br2 h MET 183 Cb 0.46 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 2br2 h MET 183 CO 0.09 -0.24 -1.10 0.91 0.23 0.00 0.00 176.91 176.81 2br2 n TRP 184 N -5.36 0.00 -0.99 1.39 7.02 -0.50 -5.00 117.44 114.00 2br2 n TRP 184 Ca -0.05 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.14 2br2 n TRP 184 Cb 0.27 -0.10 0.22 0.00 -2.42 0.00 0.00 31.31 29.28 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 -3.07 1.55 0.25 6.99 0.00 0.36 -4.98 107.32 108.42 2br2 s GLY 185 Ca 0.04 -0.55 0.20 0.00 0.00 0.00 0.00 44.72 44.40 2br2 s GLY 185 CO 0.77 0.19 1.23 0.83 0.00 0.00 0.00 173.10 176.12 2br2 h GLU 186 N -2.34 0.00 -2.57 2.90 3.07 -1.12 -3.48 114.58 111.04 2br2 h GLU 186 Ca -0.53 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.25 2br2 h GLU 186 Cb 1.32 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 29.04 2br2 h GLU 186 CO 0.48 0.18 -0.05 0.00 -1.40 0.00 0.00 179.01 178.22 2br2 s ALA 187 N -3.13 -1.25 -0.09 3.43 0.00 -1.21 -0.79 121.76 118.72 2br2 s ALA 187 Ca 0.02 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 2br2 s ALA 187 Cb 0.08 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.31 2br2 s ALA 187 CO 0.76 -0.33 0.12 0.34 0.00 0.00 0.00 175.76 176.65 2br2 s ASP 188 N -1.32 1.14 -0.49 0.00 2.15 0.56 -2.64 116.67 116.08 2br2 s ASP 188 Ca -0.12 0.08 0.03 0.00 0.43 0.00 0.00 52.55 52.97 2br2 s ASP 188 Cb -0.03 0.08 0.15 0.00 -0.30 0.00 0.00 42.92 42.82 2br2 s ASP 188 CO 0.06 -0.27 0.31 -0.32 -0.17 0.00 0.00 175.17 174.78 2br2 s MET 189 N 2.24 1.45 0.16 4.34 -2.45 0.13 -0.93 119.30 124.23 2br2 s MET 189 Ca 0.04 -2.29 -0.31 0.00 -1.25 0.00 0.00 55.69 51.88 2br2 s MET 189 Cb -0.13 -2.38 -0.09 0.00 1.25 0.00 0.00 34.83 33.48 2br2 s MET 189 CO -0.06 -1.23 1.45 -1.25 1.05 0.00 0.00 175.02 174.99 2br2 s PRO 190 N -0.06 4.28 -0.03 4.11 0.04 -1.07 -1.42 135.00 140.86 2br2 s PRO 190 Ca 0.22 2.20 0.01 0.00 0.04 0.00 0.00 61.00 63.47 2br2 s PRO 190 Cb -0.15 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.21 2br2 s PRO 190 CO -0.07 -0.48 -0.05 0.42 0.04 0.00 0.00 177.00 176.87 2br2 s ILE 191 N 0.87 0.51 -0.01 0.56 1.01 -0.15 -1.84 121.20 122.14 2br2 s ILE 191 Ca 0.65 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 61.18 2br2 s ILE 191 Cb -0.40 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 2br2 s ILE 191 CO 0.33 0.20 -0.11 0.00 0.00 0.00 0.00 174.94 175.36 2br2 s ALA 192 N 0.64 0.97 0.15 9.38 0.00 -0.10 -1.29 121.76 131.51 2br2 s ALA 192 Ca -0.08 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.44 2br2 s ALA 192 Cb -0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2br2 s ALA 192 CO 0.00 0.22 -0.08 -1.64 0.00 0.00 0.00 175.76 174.26 2br2 s MET 193 N -0.15 1.05 -0.81 0.00 1.00 0.14 -0.39 119.30 120.13 2br2 s MET 193 Ca 0.02 -1.46 -0.19 0.00 0.00 0.00 0.00 55.69 54.06 2br2 s MET 193 Cb -0.06 -0.52 0.12 0.00 0.00 0.00 0.00 34.83 34.37 2br2 s MET 193 CO -0.00 0.03 1.01 -1.64 0.00 0.00 0.00 175.02 174.42 2br2 s MET 194 N -3.79 3.41 0.27 2.03 -1.94 -0.00 -1.26 119.30 118.03 2br2 s MET 194 Ca 0.18 -1.53 -0.03 0.00 -1.71 0.00 0.00 55.69 52.60 2br2 s MET 194 Cb 0.04 -4.64 0.40 0.00 2.01 0.00 0.00 34.83 32.64 2br2 s MET 194 CO 0.01 -1.72 1.92 -1.35 -0.01 0.00 0.00 175.02 173.86 2br2 h PRO 195 N 8.99 1.16 0.00 2.03 0.11 -1.84 -1.33 132.00 141.12 2br2 h PRO 195 Ca -0.01 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 2br2 h PRO 195 Cb 1.04 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 2br2 h PRO 195 CO 1.10 0.77 -0.08 0.77 -0.21 0.00 0.00 178.00 180.35 2br2 h SER 196 N 1.19 0.00 -0.01 -2.05 0.02 -1.93 -2.49 113.55 108.28 2br2 h SER 196 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2br2 h SER 196 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2br2 h SER 196 CO -0.12 0.08 -0.41 0.18 -1.14 0.00 0.00 176.83 175.42 2br2 n LEU 197 N -3.67 1.81 -3.52 5.07 4.77 -0.56 -4.98 117.00 115.93 2br2 n LEU 197 Ca -0.02 -0.76 -0.26 0.00 -0.03 0.00 0.00 56.01 54.94 2br2 n LEU 197 Cb 0.19 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2br2 n LEU 197 CO 0.29 0.34 0.02 0.59 -1.33 0.00 0.00 177.39 177.30 2br2 n ASN 198 N -0.09 -4.53 -4.48 -1.43 5.03 -0.87 -4.97 115.26 103.93 2br2 n ASN 198 Ca 0.08 -0.52 -0.35 0.00 0.87 0.00 0.00 54.58 54.66 2br2 n ASN 198 Cb 0.40 -3.68 -0.12 0.00 -1.02 0.00 0.00 39.78 35.36 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 -6.19 3.67 -0.21 3.52 -1.52 -1.14 -5.00 119.66 112.79 2br2 s GLN 199 Ca 0.49 -0.49 -0.25 0.00 -1.95 0.00 0.00 55.36 53.15 2br2 s GLN 199 Cb -0.25 -3.10 -0.01 0.00 -0.22 0.00 0.00 33.01 29.43 2br2 s GLN 199 CO 0.60 0.05 0.84 0.08 -0.25 0.00 0.00 175.29 176.61 2br2 s VAL 200 N 0.91 4.85 -0.13 1.09 1.01 -1.26 -0.82 120.40 126.05 2br2 s VAL 200 Ca 0.02 1.61 -0.08 0.00 0.00 0.00 0.00 61.98 63.53 2br2 s VAL 200 Cb -0.14 -4.13 -0.26 0.00 0.00 0.00 0.00 36.38 31.85 2br2 s VAL 200 CO 0.02 -0.03 0.35 0.41 0.00 0.00 0.00 175.10 175.85 2br2 n THR 201 N 5.01 1.76 -3.96 3.92 -1.04 0.47 -4.94 114.28 115.51 2br2 n THR 201 Ca 0.05 -0.60 -0.16 0.00 -2.04 0.00 0.00 64.05 61.31 2br2 n THR 201 Cb 0.48 -1.77 -0.15 0.00 -1.82 0.00 0.00 70.33 67.07 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 -7.13 1.47 -0.21 -4.42 0.20 -0.92 -4.21 118.68 103.46 2br2 s LEU 202 Ca -0.23 -0.03 -0.04 0.00 0.69 0.00 0.00 54.13 54.52 2br2 s LEU 202 Cb 0.07 -0.19 0.11 0.00 -0.43 0.00 0.00 46.19 45.75 2br2 s LEU 202 CO 0.75 -0.05 0.36 0.12 -0.29 0.00 0.00 176.35 177.24 2br2 s PHE 203 N 0.63 -0.72 0.02 5.38 5.36 -1.26 -0.93 117.98 126.46 2br2 s PHE 203 Ca -0.06 0.97 0.01 0.00 -0.96 0.00 0.00 56.93 56.89 2br2 s PHE 203 Cb -0.09 0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.62 2br2 s PHE 203 CO -0.01 -0.60 -0.04 -0.65 -1.46 0.00 0.00 175.22 172.46 2br2 s GLN 204 N 2.53 0.31 -0.05 10.12 -0.21 -0.77 -5.05 119.66 126.54 2br2 s GLN 204 Ca 0.07 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 54.99 2br2 s GLN 204 Cb -0.14 -0.08 0.02 0.00 1.00 0.00 0.00 33.01 33.81 2br2 s GLN 204 CO -0.14 0.01 -0.03 -1.17 -2.12 0.00 0.00 175.29 171.84 2br2 s LEU 205 N -1.00 1.16 0.07 2.90 2.96 -1.26 -2.59 118.68 120.91 2br2 s LEU 205 Ca -0.09 -0.11 0.08 0.00 -0.22 0.00 0.00 54.13 53.79 2br2 s LEU 205 Cb -0.07 -0.43 -0.04 0.00 0.50 0.00 0.00 46.19 46.15 2br2 s LEU 205 CO -0.00 -0.09 -0.19 0.54 -1.32 0.00 0.00 176.35 175.29 2br2 s ASN 206 N 1.16 3.78 0.00 3.68 2.20 -0.11 -5.00 114.94 120.65 2br2 s ASN 206 Ca -0.07 -0.50 0.00 0.00 -0.94 0.00 0.00 52.86 51.35 2br2 s ASN 206 Cb -0.14 -0.55 0.00 0.00 -2.00 0.00 0.00 41.25 38.56 2br2 s ASN 206 CO -0.01 0.22 0.00 0.61 -2.94 0.00 0.00 177.10 174.98 2br2 n GLY 207 N 1.26 0.68 3.50 0.45 0.00 -1.26 -0.32 105.19 109.50 2br2 n GLY 207 Ca -0.16 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.75 -0.01 1.61 0.15 0.03 -4.95 113.70 105.78 2br2 s SER 208 Ca 0.00 1.27 -0.19 0.00 0.70 0.00 0.00 55.95 57.73 2br2 s SER 208 Cb 0.00 1.18 0.03 0.00 -1.71 0.00 0.00 66.02 65.52 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 1.24 0.80 0.50 5.44 -1.94 -1.26 -4.40 119.30 119.68 2br2 s MET 209 Ca -0.07 -0.14 -0.17 0.00 -1.71 0.00 0.00 55.69 53.59 2br2 s MET 209 Cb -0.06 0.36 -0.08 0.00 2.01 0.00 0.00 34.83 37.06 2br2 s MET 209 CO -0.13 -0.24 0.99 0.95 -0.01 0.00 0.00 175.02 176.58 2br2 s THR 210 N -1.54 4.43 0.32 2.05 -4.23 -1.26 -4.85 115.64 110.56 2br2 s THR 210 Ca -0.11 1.24 0.08 0.00 -1.18 0.00 0.00 61.69 61.72 2br2 s THR 210 Cb -0.03 -3.67 0.31 0.00 1.34 0.00 0.00 72.50 70.46 2br2 s THR 210 CO 0.04 -0.59 1.78 -0.65 -0.54 0.00 0.00 174.62 174.66 2br2 h PRO 211 N 1.10 0.68 -0.14 3.99 0.11 -2.01 0.19 132.00 135.91 2br2 h PRO 211 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2br2 h PRO 211 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2br2 h PRO 211 CO 0.61 0.45 0.08 -0.44 -0.21 0.00 0.00 178.00 178.49 2br2 h ASP 212 N 0.70 0.17 -0.66 -2.05 3.32 -1.99 -0.61 116.42 115.30 2br2 h ASP 212 Ca 0.58 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.55 2br2 h ASP 212 Cb 0.99 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 2br2 h ASP 212 CO -0.37 0.20 0.43 -0.33 -1.72 0.00 0.00 179.24 177.45 2br2 h GLU 213 N 0.13 0.87 -0.52 3.56 5.08 -1.62 -0.19 114.58 121.89 2br2 h GLU 213 Ca 0.05 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2br2 h GLU 213 Cb 0.07 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 2br2 h GLU 213 CO -0.01 0.58 0.22 0.35 -1.00 0.00 0.00 179.01 179.16 2br2 h PHE 214 N 0.89 0.40 -0.45 4.33 3.57 -0.43 0.12 116.94 125.38 2br2 h PHE 214 Ca 0.24 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.66 2br2 h PHE 214 Cb -0.09 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 2br2 h PHE 214 CO -0.03 0.17 -0.14 0.00 -2.23 0.00 0.00 178.31 176.08 2br2 h ARG 215 N 0.43 0.83 -0.00 1.11 3.08 -0.45 -1.25 114.38 118.14 2br2 h ARG 215 Ca 0.24 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2br2 h ARG 215 Cb 0.21 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 2br2 h ARG 215 CO -0.21 0.92 0.00 1.96 -1.07 0.00 0.00 179.97 181.57 2br2 h GLN 216 N 0.74 0.00 -0.54 0.04 4.20 -0.46 -2.14 115.11 116.95 2br2 h GLN 216 Ca 0.12 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2br2 h GLN 216 Cb 0.64 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 2br2 h GLN 216 CO 0.04 0.20 0.34 0.00 -0.67 0.00 0.00 178.83 178.74 2br2 h ALA 217 N 0.81 0.69 -0.37 3.87 0.00 -0.71 -1.85 119.26 121.70 2br2 h ALA 217 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2br2 h ALA 217 Cb 0.19 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2br2 h ALA 217 CO -0.00 0.15 -0.12 0.35 0.00 0.00 0.00 179.25 179.63 2br2 h PHE 218 N 0.73 -0.28 -0.80 0.00 3.57 -1.19 0.20 116.94 119.16 2br2 h PHE 218 Ca 0.20 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.79 2br2 h PHE 218 Cb -0.05 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 2br2 h PHE 218 CO -0.03 -0.20 0.49 -0.44 -2.23 0.00 0.00 178.31 175.90 2br2 h ASP 219 N -0.04 0.77 -0.50 0.41 3.32 -0.74 -2.22 116.42 117.41 2br2 h ASP 219 Ca 0.18 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 2br2 h ASP 219 Cb 0.32 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2br2 h ASP 219 CO -0.40 0.50 0.09 0.25 -1.72 0.00 0.00 179.24 177.95 2br2 h LEU 220 N 0.90 0.79 -0.81 1.55 5.85 -0.53 -2.81 115.31 120.25 2br2 h LEU 220 Ca 0.35 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.90 2br2 h LEU 220 Cb 0.16 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 2br2 h LEU 220 CO -0.17 0.85 0.47 0.00 -0.34 0.00 0.00 178.44 179.24 2br2 h ALA 221 N 0.97 1.13 -0.61 1.25 0.00 -0.43 -1.52 119.26 120.05 2br2 h ALA 221 Ca 0.15 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2br2 h ALA 221 Cb 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2br2 h ALA 221 CO 0.01 0.12 0.39 0.28 0.00 0.00 0.00 179.25 180.05 2br2 h VAL 222 N 0.80 1.11 -0.62 0.00 2.07 -1.17 0.20 116.25 118.64 2br2 h VAL 222 Ca 0.38 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 2br2 h VAL 222 Cb 0.30 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2br2 h VAL 222 CO -0.22 0.14 0.24 0.11 0.02 0.00 0.00 177.57 177.86 2br2 h LYS 223 N 0.78 0.94 0.14 1.57 1.57 -1.17 -0.59 116.57 119.81 2br2 h LYS 223 Ca 0.24 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2br2 h LYS 223 Cb -0.03 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.13 2br2 h LYS 223 CO -0.08 0.80 -0.07 0.78 -0.57 0.00 0.00 179.45 180.31 2br2 h GLY 224 N 0.87 -0.19 0.38 3.86 0.00 -0.85 -2.98 103.07 104.17 2br2 h GLY 224 Ca 0.21 0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.73 2br2 h GLY 224 CO -0.02 -0.07 0.46 -2.22 0.00 0.00 0.00 176.54 174.69 2br2 h ILE 225 N -0.26 0.82 -0.24 2.60 2.04 -0.30 -1.58 117.51 120.59 2br2 h ILE 225 Ca -0.02 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2br2 h ILE 225 Cb 0.20 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2br2 h ILE 225 CO 0.03 0.13 -0.08 0.78 0.00 0.00 0.00 178.15 179.02 2br2 h ASN 226 N 0.72 0.36 -0.14 1.72 2.35 -0.98 0.16 115.58 119.76 2br2 h ASN 226 Ca 0.43 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 56.05 2br2 h ASN 226 Cb 0.50 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 2br2 h ASN 226 CO -0.30 0.48 -0.13 0.40 -1.65 0.00 0.00 177.43 176.23 2br2 h ILE 227 N 0.36 1.35 -0.80 2.81 2.04 -1.17 -2.70 117.51 119.39 2br2 h ILE 227 Ca 0.07 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.68 2br2 h ILE 227 Cb 0.37 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 2br2 h ILE 227 CO 0.02 0.37 0.52 0.40 0.00 0.00 0.00 178.15 179.46 2br2 h ILE 228 N -0.05 1.14 -0.47 -0.67 2.04 -0.88 -2.78 117.51 115.84 2br2 h ILE 228 Ca 0.02 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.57 2br2 h ILE 228 Cb 0.65 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 2br2 h ILE 228 CO 0.03 0.19 0.25 0.22 0.00 0.00 0.00 178.15 178.84 2br2 h TYR 229 N 1.02 0.47 -0.05 1.37 3.20 -0.66 -0.76 116.97 121.56 2br2 h TYR 229 Ca 0.31 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 2br2 h TYR 229 Cb -0.02 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 2br2 h TYR 229 CO -0.02 0.24 -0.01 -0.91 -1.64 0.00 0.00 178.16 175.82 2br2 h ASN 230 N 0.50 0.05 0.01 -2.11 2.35 -1.21 -0.96 115.58 114.22 2br2 h ASN 230 Ca 0.20 -0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.72 2br2 h ASN 230 Cb 0.08 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.45 2br2 h ASN 230 CO -0.13 0.08 -0.84 -0.07 -1.65 0.00 0.00 177.43 174.82 2br2 h LEU 231 N 0.06 0.81 -0.37 1.61 3.38 -1.18 -2.42 115.31 117.21 2br2 h LEU 231 Ca 0.02 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 2br2 h LEU 231 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2br2 h LEU 231 CO 0.00 1.36 0.22 -0.33 0.09 0.00 0.00 178.44 179.79 2br2 h GLU 232 N 0.43 0.50 -0.67 1.13 5.08 -0.53 0.12 114.58 120.65 2br2 h GLU 232 Ca -0.07 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2br2 h GLU 232 Cb 1.47 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.55 2br2 h GLU 232 CO 0.16 0.37 0.33 0.00 -1.00 0.00 0.00 179.01 178.88 2br2 h ARG 233 N 0.48 0.57 -0.32 2.33 3.08 -1.19 -1.72 114.38 117.62 2br2 h ARG 233 Ca 0.13 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 2br2 h ARG 233 Cb -0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2br2 h ARG 233 CO -0.03 0.38 -0.40 1.49 -1.07 0.00 0.00 179.97 180.34 2br2 h GLU 234 N 0.58 0.78 0.00 0.04 4.57 -1.09 -2.76 114.58 116.70 2br2 h GLU 234 Ca 0.32 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2br2 h GLU 234 Cb 0.30 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2br2 h GLU 234 CO -0.24 1.04 -0.09 0.00 -1.18 0.00 0.00 179.01 178.53 2br2 h ALA 235 N 0.91 1.57 -0.32 2.92 0.00 -0.27 -0.78 119.26 123.29 2br2 h ALA 235 Ca 0.05 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2br2 h ALA 235 Cb 0.96 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2br2 h ALA 235 CO 0.09 0.12 -0.44 1.25 0.00 0.00 0.00 179.25 180.27 2br2 h LEU 236 N 0.00 0.88 0.00 0.00 5.85 -1.03 0.10 115.31 121.12 2br2 h LEU 236 Ca -0.00 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 2br2 h LEU 236 Cb 0.20 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2br2 h LEU 236 CO 0.01 1.19 -0.00 0.11 -0.34 0.00 0.00 178.44 179.41 2br2 h LYS 237 N 0.65 -0.00 -0.00 1.25 1.57 -1.36 -3.39 116.57 115.29 2br2 h LYS 237 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2br2 h LYS 237 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2br2 h LYS 237 CO 0.10 0.85 -0.73 -1.13 -0.57 0.00 0.00 179.45 177.97 2br2 n SER 238 N -4.65 0.82 0.00 0.86 3.41 -0.36 -4.96 113.62 108.75 2br2 n SER 238 Ca -0.09 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 2br2 n SER 238 Cb 0.41 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 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 -1.41 0.00 -3.69 4.33 4.01 0.02 -4.91 118.16 116.51 2br2 n LYS 239 Ca 0.05 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.74 2br2 n LYS 239 Cb 0.34 -2.06 -0.11 0.00 -0.51 0.00 0.00 35.03 32.68 2br2 n LYS 239 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2br2 s TYR 240 N -2.15 -0.54 -0.03 2.13 5.04 -1.26 -1.10 117.35 119.43 2br2 s TYR 240 Ca 0.00 1.16 -0.01 0.00 -2.44 0.00 0.00 57.07 55.79 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 -0.34 0.06 0.08 -1.34 0.00 0.00 175.55 174.01 2br2 s VAL 241 N 1.67 -0.06 -0.02 3.14 1.01 0.20 -4.84 120.40 121.50 2br2 s VAL 241 Ca -0.07 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2br2 s VAL 241 Cb -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 2br2 s VAL 241 CO -0.11 0.09 -0.24 -1.61 0.00 0.00 0.00 175.10 173.23 2br2 s GLU 242 N 1.11 2.15 -0.12 2.72 2.02 -1.26 -0.79 118.70 124.53 2br2 s GLU 242 Ca -0.09 -0.91 -0.04 0.00 0.02 0.00 0.00 54.97 53.96 2br2 s GLU 242 Cb -0.13 -2.10 0.06 0.00 0.10 0.00 0.00 34.13 32.06 2br2 s GLU 242 CO -0.04 0.57 0.17 0.12 0.02 0.00 0.00 175.26 176.10 2br2 s PHE 243 N -0.66 -0.18 0.44 1.61 5.36 0.31 -5.00 117.98 119.85 2br2 s PHE 243 Ca 0.11 0.48 -0.22 0.00 -0.96 0.00 0.00 56.93 56.33 2br2 s PHE 243 Cb -0.10 -0.30 -0.09 0.00 -0.34 0.00 0.00 43.02 42.19 2br2 s PHE 243 CO -0.00 -0.37 1.04 -1.59 -1.46 0.00 0.00 175.22 172.84 2br2 s LYS 244 N 2.30 4.01 0.13 10.12 -2.85 -1.26 -0.73 119.74 131.45 2br2 s LYS 244 Ca 0.04 1.43 -0.33 0.00 -1.00 0.00 0.00 55.97 56.11 2br2 s LYS 244 Cb -0.13 -2.33 -0.18 0.00 -2.06 0.00 0.00 37.83 33.13 2br2 s LYS 244 CO -0.07 -0.27 0.84 0.39 0.10 0.00 0.00 175.35 176.34 2br2 n GLU 245 N -0.49 0.25 -3.64 1.78 1.02 -1.26 -4.83 120.64 113.48 2br2 n GLU 245 Ca 0.07 0.09 -0.06 0.00 -0.02 0.00 0.00 57.16 57.24 2br2 n GLU 245 Cb 0.51 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.55 2br2 n GLU 245 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2br2 s GLU 246 N -0.57 1.02 0.35 3.49 -1.05 -1.24 -5.00 118.70 115.70 2br2 s GLU 246 Ca 0.75 -0.49 -0.29 0.00 -0.15 0.00 0.00 54.97 54.79 2br2 s GLU 246 Cb -1.02 0.39 -0.11 0.00 -0.44 0.00 0.00 34.13 32.95 2br2 s GLU 246 CO 0.56 -0.46 1.48 0.20 0.95 0.00 0.00 175.26 177.99 2br2 s GLY 247 N -2.74 2.77 0.00 -3.83 0.00 -1.26 -2.80 107.32 99.45 2br2 s GLY 247 Ca 0.09 1.53 0.23 0.00 0.00 0.00 0.00 44.72 46.56 2br2 s GLY 247 CO -0.03 2.28 1.72 -0.62 0.00 0.00 0.00 173.10 176.45