#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br5 h PRO 22 N 0.00 0.00 -7.08 -0.67 0.13 -2.00 -3.46 132.00 118.92 2br5 h PRO 22 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 2br5 h PRO 22 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 2br5 h PRO 22 CO 0.00 0.16 0.38 0.00 -0.23 0.00 0.00 178.00 178.31 2br5 s ALA 23 N -3.43 2.87 -0.02 -0.56 0.00 -1.26 -4.42 121.76 114.94 2br5 s ALA 23 Ca 0.03 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.39 2br5 s ALA 23 Cb 0.08 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 2br5 s ALA 23 CO 0.64 -0.32 0.51 -0.47 0.00 0.00 0.00 175.76 176.13 2br5 s TYR 24 N -2.02 3.67 -0.06 0.00 5.04 -1.26 -4.92 117.35 117.80 2br5 s TYR 24 Ca 0.67 1.08 0.02 0.00 -2.44 0.00 0.00 57.07 56.39 2br5 s TYR 24 Cb -0.16 -2.49 0.02 0.00 0.35 0.00 0.00 41.96 39.68 2br5 s TYR 24 CO 0.21 0.42 -0.09 -1.01 -1.34 0.00 0.00 175.55 173.74 2br5 s HIS 25 N -0.38 1.18 0.64 4.97 3.76 -1.26 -5.01 115.29 119.19 2br5 s HIS 25 Ca 0.27 -0.41 -0.18 0.00 -0.15 0.00 0.00 55.06 54.60 2br5 s HIS 25 Cb -0.17 -0.91 -0.04 0.00 1.11 0.00 0.00 32.58 32.57 2br5 s HIS 25 CO 0.15 -0.24 0.94 -2.30 -0.85 0.00 0.00 174.74 172.44 2br5 n PRO 26 N 3.88 0.77 -1.83 8.40 -0.02 -1.26 -4.94 135.00 140.01 2br5 n PRO 26 Ca -0.24 0.31 -0.38 0.00 -2.02 0.00 0.00 63.50 61.17 2br5 n PRO 26 Cb 0.51 -2.16 0.04 0.00 -0.02 0.00 0.00 33.50 31.87 2br5 n PRO 26 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2br5 s PRO 27 N -2.89 3.18 -0.06 0.52 0.04 -1.26 -5.03 135.00 129.50 2br5 s PRO 27 Ca 0.76 2.19 0.06 0.00 0.04 0.00 0.00 61.00 64.04 2br5 s PRO 27 Cb -0.40 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 2br5 s PRO 27 CO 0.47 -1.14 -0.25 0.08 0.04 0.00 0.00 177.00 176.21 2br5 s VAL 28 N -1.33 2.08 -0.34 -0.36 1.01 -1.26 -5.11 120.40 115.09 2br5 s VAL 28 Ca 0.71 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 2br5 s VAL 28 Cb -0.39 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 2br5 s VAL 28 CO 0.46 0.57 0.46 -0.76 0.00 0.00 0.00 175.10 175.83 2br5 s LEU 29 N -0.12 4.37 -0.07 3.92 1.02 -1.26 -4.87 118.68 121.66 2br5 s LEU 29 Ca -0.05 -0.08 0.07 0.00 0.02 0.00 0.00 54.13 54.09 2br5 s LEU 29 Cb -0.14 -2.50 -0.24 0.00 0.02 0.00 0.00 46.19 43.33 2br5 s LEU 29 CO 0.04 -0.42 0.54 0.35 0.02 0.00 0.00 176.35 176.88 2br5 n THR 30 N 5.35 1.65 -0.02 5.49 -2.24 -1.26 -4.44 114.28 118.81 2br5 n THR 30 Ca -0.06 -0.76 0.06 0.00 -2.27 0.00 0.00 64.05 61.02 2br5 n THR 30 Cb 0.49 -1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 67.36 2br5 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2br5 n ASP 31 N -3.16 0.91 -4.70 3.42 5.68 -1.26 -4.97 116.55 112.47 2br5 n ASP 31 Ca -0.22 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.76 2br5 n ASP 31 Cb 1.05 1.65 -0.08 0.00 -1.14 0.00 0.00 41.12 42.61 2br5 n ASP 31 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2br5 s ARG 32 N -3.09 2.65 0.44 0.11 3.00 -1.26 -5.11 118.95 115.69 2br5 s ARG 32 Ca -0.07 -0.76 -0.23 0.00 0.00 0.00 0.00 55.73 54.67 2br5 s ARG 32 Cb 0.10 -2.60 -0.08 0.00 0.00 0.00 0.00 34.95 32.37 2br5 s ARG 32 CO 0.73 0.56 1.10 -1.25 0.00 0.00 0.00 175.30 176.44 2br5 s PRO 33 N -2.16 3.91 0.18 3.54 0.04 -1.26 -4.77 135.00 134.48 2br5 s PRO 33 Ca 0.25 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 62.79 2br5 s PRO 33 Cb -0.12 -2.39 0.07 0.00 0.04 0.00 0.00 34.50 32.10 2br5 s PRO 33 CO 0.17 -0.38 1.65 -0.09 0.04 0.00 0.00 177.00 178.38 2br5 h ARG 34 N 2.11 1.06 -4.54 4.56 2.43 -1.99 -3.37 114.38 114.63 2br5 h ARG 34 Ca -0.49 -0.33 -0.72 0.00 -0.81 0.00 0.00 59.98 57.63 2br5 h ARG 34 Cb 1.23 -0.10 -0.21 0.00 -0.42 0.00 0.00 29.97 30.47 2br5 h ARG 34 CO 0.61 1.02 0.27 -0.51 -1.51 0.00 0.00 179.97 179.85 2br5 s ASP 35 N -6.53 6.43 -0.16 -3.80 1.01 -1.26 -5.02 116.67 107.34 2br5 s ASP 35 Ca -0.12 -1.90 -0.27 0.00 0.71 0.00 0.00 52.55 50.97 2br5 s ASP 35 Cb 0.13 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 2br5 s ASP 35 CO 0.85 -0.96 0.90 0.86 0.21 0.00 0.00 175.17 177.03 2br5 s TRP 36 N 2.03 3.43 0.30 4.23 -0.11 -1.26 -5.03 118.94 122.53 2br5 s TRP 36 Ca 0.18 1.36 -0.29 0.00 1.22 0.00 0.00 56.10 58.56 2br5 s TRP 36 Cb -0.16 -3.08 -0.10 0.00 -1.50 0.00 0.00 33.47 28.62 2br5 s TRP 36 CO -0.01 -0.27 1.32 -1.25 -4.62 0.00 0.00 176.95 172.12 2br5 s PRO 37 N 2.25 4.35 0.47 5.86 0.04 -1.26 -4.92 135.00 141.80 2br5 s PRO 37 Ca 0.41 2.20 0.26 0.00 0.04 0.00 0.00 61.00 63.91 2br5 s PRO 37 Cb -0.17 -3.10 1.10 0.00 0.04 0.00 0.00 34.50 32.38 2br5 s PRO 37 CO 0.13 -0.22 1.90 -0.07 0.04 0.00 0.00 177.00 178.78 2br5 h LEU 38 N 3.94 0.00 -2.04 -3.56 4.07 -1.99 -2.09 115.31 113.64 2br5 h LEU 38 Ca -0.48 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.48 2br5 h LEU 38 Cb 1.22 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.96 2br5 h LEU 38 CO 0.69 0.17 -0.02 -2.24 -1.08 0.00 0.00 178.44 175.96 2br5 h ASP 39 N 0.00 0.00 -0.19 -0.43 2.03 -2.05 -2.79 116.42 112.99 2br5 h ASP 39 Ca -0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 2br5 h ASP 39 Cb 0.63 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.07 2br5 h ASP 39 CO 0.02 0.02 -0.21 0.54 -1.03 0.00 0.00 179.24 178.59 2br5 n ARG 40 N -3.17 1.79 -0.25 4.15 1.74 -0.79 -4.88 116.66 115.25 2br5 n ARG 40 Ca -0.01 -3.15 0.05 0.00 -0.77 0.00 0.00 57.85 53.98 2br5 n ARG 40 Cb 0.22 -1.72 0.18 0.00 -1.02 0.00 0.00 32.46 30.11 2br5 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2br5 h TRP 41 N 0.97 0.28 0.00 -1.55 7.01 -1.52 -1.52 115.95 119.62 2br5 h TRP 41 Ca 0.11 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 2br5 h TRP 41 Cb 1.36 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 28.41 2br5 h TRP 41 CO 0.81 -0.08 -0.16 0.00 -2.79 0.00 0.00 178.44 176.21 2br5 h ALA 42 N 1.60 1.04 -0.00 2.65 0.00 -1.90 -2.75 119.26 119.91 2br5 h ALA 42 Ca 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2br5 h ALA 42 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2br5 h ALA 42 CO -0.50 0.20 -0.09 0.39 0.00 0.00 0.00 179.25 179.25 2br5 n GLU 43 N -3.34 0.06 -1.99 0.00 1.02 -0.57 -4.87 120.64 110.95 2br5 n GLU 43 Ca 0.00 -0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.73 2br5 n GLU 43 Cb 0.38 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2br5 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2br5 s ALA 44 N -2.94 3.32 0.36 0.62 0.00 -1.04 -4.96 121.76 117.11 2br5 s ALA 44 Ca 0.15 1.31 -0.27 0.00 0.00 0.00 0.00 51.96 53.16 2br5 s ALA 44 Cb 0.19 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2br5 s ALA 44 CO 0.55 -0.89 1.19 -1.25 0.00 0.00 0.00 175.76 175.36 2br5 s PRO 45 N -2.21 4.24 0.06 0.00 0.04 -1.26 -4.97 135.00 130.90 2br5 s PRO 45 Ca 0.56 1.92 0.23 0.00 0.04 0.00 0.00 61.00 63.75 2br5 s PRO 45 Cb -0.40 -2.87 0.07 0.00 0.04 0.00 0.00 34.50 31.34 2br5 s PRO 45 CO 0.52 -0.18 1.05 0.54 0.04 0.00 0.00 177.00 178.97 2br5 n ARG 46 N 0.46 0.30 -1.98 4.56 5.12 -1.26 -4.94 116.66 118.93 2br5 n ARG 46 Ca 0.02 0.01 -0.29 0.00 -1.93 0.00 0.00 57.85 55.66 2br5 n ARG 46 Cb 0.45 -1.61 0.11 0.00 -1.16 0.00 0.00 32.46 30.25 2br5 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2br5 s ASP 47 N -4.01 4.19 0.49 0.55 1.47 -1.26 -4.96 116.67 113.14 2br5 s ASP 47 Ca 0.04 0.56 0.25 0.00 1.18 0.00 0.00 52.55 54.58 2br5 s ASP 47 Cb 0.14 -0.96 1.26 0.00 -0.34 0.00 0.00 42.92 43.02 2br5 s ASP 47 CO 0.79 -2.07 1.99 0.25 0.68 0.00 0.00 175.17 176.82 2br5 h LEU 48 N -1.12 0.00 0.00 2.11 5.85 -2.03 -3.46 115.31 116.66 2br5 h LEU 48 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2br5 h LEU 48 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2br5 h LEU 48 CO 0.57 0.17 0.00 0.61 -0.34 0.00 0.00 178.44 179.45 2br5 n GLY 49 N -0.46 1.12 3.82 3.75 0.00 -1.26 -5.02 105.19 107.13 2br5 n GLY 49 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 2br5 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br5 s TYR 50 N -2.53 -0.04 0.31 1.61 -0.85 -1.26 -4.54 117.35 110.04 2br5 s TYR 50 Ca 0.00 -0.40 -0.29 0.00 -0.52 0.00 0.00 57.07 55.86 2br5 s TYR 50 Cb 0.00 0.71 -0.10 0.00 0.38 0.00 0.00 41.96 42.95 2br5 s TYR 50 CO 0.00 -1.11 1.25 0.45 -1.52 0.00 0.00 175.55 174.62 2br5 s SER 51 N -3.07 6.91 -0.40 -0.18 0.15 -1.26 -4.96 113.70 110.89 2br5 s SER 51 Ca 0.15 2.56 0.06 0.00 0.70 0.00 0.00 55.95 59.41 2br5 s SER 51 Cb -0.04 -2.64 0.64 0.00 -1.71 0.00 0.00 66.02 62.27 2br5 s SER 51 CO 0.06 -0.43 1.80 -0.90 1.20 0.00 0.00 173.24 174.97 2br5 n ASP 52 N 1.05 3.54 0.00 5.45 5.75 -1.26 -4.69 116.55 126.39 2br5 n ASP 52 Ca 0.00 -3.62 0.00 0.00 -0.01 0.00 0.00 54.79 51.17 2br5 n ASP 52 Cb 0.43 -0.78 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 2br5 n ASP 52 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2br5 n PHE 53 N -1.06 0.00 -3.11 2.11 -0.00 -1.26 -4.67 117.46 109.48 2br5 n PHE 53 Ca 0.52 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.78 2br5 n PHE 53 Cb 1.50 -0.29 -0.05 0.00 -0.00 0.00 0.00 39.48 40.65 2br5 n PHE 53 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2br5 n SER 54 N -1.47 -1.26 -1.59 -2.13 7.64 -1.26 -4.98 113.62 108.56 2br5 n SER 54 Ca 0.00 -2.72 0.06 0.00 1.01 0.00 0.00 58.87 57.22 2br5 n SER 54 Cb 0.00 0.25 0.33 0.00 -1.01 0.00 0.00 64.21 63.78 2br5 n SER 54 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2br5 n PRO 55 N 2.25 4.02 -3.60 1.43 -0.04 -1.26 -4.94 135.00 132.86 2br5 n PRO 55 Ca 0.22 -2.53 -0.21 0.00 -0.04 0.00 0.00 63.50 60.94 2br5 n PRO 55 Cb 0.53 -2.07 -0.01 0.00 -0.04 0.00 0.00 33.50 31.92 2br5 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2br5 s TYR 56 N -2.32 3.32 0.13 0.54 1.51 -1.26 -5.02 117.35 114.25 2br5 s TYR 56 Ca 0.44 -0.00 -0.26 0.00 -1.01 0.00 0.00 57.07 56.24 2br5 s TYR 56 Cb 0.33 -1.85 0.07 0.00 -0.11 0.00 0.00 41.96 40.40 2br5 s TYR 56 CO 0.14 0.15 0.96 1.14 -1.11 0.00 0.00 175.55 176.83 2br5 s GLN 57 N -4.16 1.13 -0.17 -0.62 -2.07 -1.26 -2.65 119.66 109.86 2br5 s GLN 57 Ca 0.40 -0.61 -0.04 0.00 -1.82 0.00 0.00 55.36 53.29 2br5 s GLN 57 Cb -0.09 0.40 0.08 0.00 -1.09 0.00 0.00 33.01 32.31 2br5 s GLN 57 CO 0.32 -0.52 0.24 -0.46 -1.32 0.00 0.00 175.29 173.55 2br5 s TRP 58 N -3.24 -0.37 -1.17 9.60 -0.11 0.09 -4.76 118.94 118.99 2br5 s TRP 58 Ca 0.12 0.56 -0.30 0.00 1.22 0.00 0.00 56.10 57.70 2br5 s TRP 58 Cb -0.01 -0.21 0.03 0.00 -1.50 0.00 0.00 33.47 31.78 2br5 s TRP 58 CO 0.01 -0.50 0.71 0.54 -4.62 0.00 0.00 176.95 173.09 2br5 n ARG 59 N 5.33 -0.53 -0.80 5.86 1.74 -1.26 -1.65 116.66 125.35 2br5 n ARG 59 Ca -0.05 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2br5 n ARG 59 Cb 0.50 -2.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 2br5 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br5 n GLY 60 N -1.97 0.59 3.69 -0.13 0.00 -1.26 -4.98 105.19 101.13 2br5 n GLY 60 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2br5 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br5 s LEU 61 N 0.00 3.51 0.24 0.99 1.43 -0.66 -4.30 118.68 119.89 2br5 s LEU 61 Ca 0.00 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 2br5 s LEU 61 Cb 0.00 -2.15 -0.09 0.00 0.03 0.00 0.00 46.19 43.98 2br5 s LEU 61 CO 0.00 0.22 1.16 -0.13 0.23 0.00 0.00 176.35 177.82 2br5 s ARG 62 N -2.02 4.55 -0.18 1.70 0.52 -1.26 -0.73 118.95 121.54 2br5 s ARG 62 Ca 0.24 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.32 2br5 s ARG 62 Cb -0.12 -3.20 0.01 0.00 0.52 0.00 0.00 34.95 32.16 2br5 s ARG 62 CO 0.15 0.05 -0.17 -1.64 0.02 0.00 0.00 175.30 173.71 2br5 s MET 63 N -0.96 3.08 0.00 3.54 -1.94 -1.08 -3.56 119.30 118.38 2br5 s MET 63 Ca 0.48 -0.79 0.27 0.00 -1.71 0.00 0.00 55.69 53.94 2br5 s MET 63 Cb -0.33 -2.62 0.91 0.00 2.01 0.00 0.00 34.83 34.80 2br5 s MET 63 CO 0.40 -0.14 1.66 1.28 -0.01 0.00 0.00 175.02 178.21 2br5 n LEU 64 N 4.47 0.81 -4.61 -0.03 4.77 -1.26 -4.21 117.00 116.94 2br5 n LEU 64 Ca -0.20 -0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.21 2br5 n LEU 64 Cb 0.51 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2br5 n LEU 64 CO 0.27 0.15 0.51 -0.54 -1.33 0.00 0.00 177.39 176.45 2br5 s LYS 65 N -2.52 3.96 0.78 3.23 1.02 -1.26 -5.06 119.74 119.89 2br5 s LYS 65 Ca 0.25 0.49 -0.11 0.00 0.02 0.00 0.00 55.97 56.62 2br5 s LYS 65 Cb 0.19 -3.72 0.06 0.00 -0.52 0.00 0.00 37.83 33.84 2br5 s LYS 65 CO 0.51 -0.62 1.09 0.16 -0.92 0.00 0.00 175.35 175.57 2br5 s ASP 66 N 1.61 4.64 0.56 2.83 1.47 -1.26 -4.71 116.67 121.80 2br5 s ASP 66 Ca 0.29 1.40 0.25 0.00 1.18 0.00 0.00 52.55 55.68 2br5 s ASP 66 Cb -0.15 -2.16 1.49 0.00 -0.34 0.00 0.00 42.92 41.76 2br5 s ASP 66 CO 0.12 -1.89 2.07 -0.65 0.68 0.00 0.00 175.17 175.50 2br5 h PRO 67 N -1.03 0.00 -0.09 2.11 0.11 -1.99 -0.43 132.00 130.69 2br5 h PRO 67 Ca -0.46 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 2br5 h PRO 67 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2br5 h PRO 67 CO 0.58 0.00 -0.69 -0.44 -0.21 0.00 0.00 178.00 177.24 2br5 h ASP 68 N 0.00 0.47 -0.58 -2.05 3.45 -1.91 -1.91 116.42 113.89 2br5 h ASP 68 Ca 0.13 -0.30 -0.09 0.00 0.43 0.00 0.00 57.03 57.21 2br5 h ASP 68 Cb 0.61 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.22 2br5 h ASP 68 CO -0.00 1.02 0.01 0.74 -1.57 0.00 0.00 179.24 179.44 2br5 h THR 69 N 0.28 1.26 -0.80 0.35 2.02 -1.40 -2.39 112.91 112.24 2br5 h THR 69 Ca -0.02 -1.12 0.05 0.00 0.77 0.00 0.00 66.41 66.09 2br5 h THR 69 Cb 1.25 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 68.45 2br5 h THR 69 CO 0.12 0.40 0.52 1.56 0.37 0.00 0.00 175.52 178.49 2br5 h GLN 70 N 0.91 0.90 -0.05 6.66 4.20 -1.16 -0.89 115.11 125.68 2br5 h GLN 70 Ca 0.17 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 2br5 h GLN 70 Cb 0.53 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.12 2br5 h GLN 70 CO 0.03 0.59 -0.39 0.00 -0.67 0.00 0.00 178.83 178.39 2br5 h ALA 71 N 1.55 0.11 -0.29 3.87 0.00 -1.17 0.06 119.26 123.39 2br5 h ALA 71 Ca 0.33 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2br5 h ALA 71 Cb 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2br5 h ALA 71 CO -0.11 0.23 0.09 0.28 0.00 0.00 0.00 179.25 179.74 2br5 h VAL 72 N -0.17 0.91 -0.74 0.00 2.07 -1.24 -1.40 116.25 115.68 2br5 h VAL 72 Ca -0.04 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2br5 h VAL 72 Cb 1.08 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2br5 h VAL 72 CO 0.08 0.04 0.41 1.88 0.02 0.00 0.00 177.57 180.00 2br5 h TYR 73 N 0.22 1.00 -0.03 1.57 0.99 -1.15 0.32 116.97 119.89 2br5 h TYR 73 Ca 0.13 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.86 2br5 h TYR 73 Cb 0.11 -0.32 -0.02 0.00 1.00 0.00 0.00 36.73 37.49 2br5 h TYR 73 CO -0.14 0.69 -0.08 1.25 -0.00 0.00 0.00 178.16 179.88 2br5 h HIS 74 N 1.03 -0.20 -0.17 4.88 2.76 -0.48 -0.52 115.15 122.46 2br5 h HIS 74 Ca 0.26 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 2br5 h HIS 74 Cb 0.02 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2br5 h HIS 74 CO 0.01 -0.12 0.07 -0.44 -1.30 0.00 0.00 177.93 176.15 2br5 h ASP 75 N -0.12 0.23 -0.53 3.26 3.32 -0.75 -0.92 116.42 120.91 2br5 h ASP 75 Ca 0.04 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 57.03 2br5 h ASP 75 Cb 0.18 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.60 2br5 h ASP 75 CO -0.10 0.31 0.15 -0.03 -1.72 0.00 0.00 179.24 177.85 2br5 h MET 76 N 0.13 0.30 -0.50 3.56 4.05 -0.90 -2.09 114.93 119.48 2br5 h MET 76 Ca 0.06 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 2br5 h MET 76 Cb 0.15 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 2br5 h MET 76 CO -0.01 0.20 0.08 -0.07 0.23 0.00 0.00 176.91 177.34 2br5 h LEU 77 N 0.31 0.72 -0.67 3.39 4.07 -0.43 -2.41 115.31 120.29 2br5 h LEU 77 Ca 0.26 -0.14 -0.14 0.00 0.08 0.00 0.00 57.88 57.94 2br5 h LEU 77 Cb 0.33 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2br5 h LEU 77 CO -0.30 0.74 -0.60 -0.25 -1.08 0.00 0.00 178.44 176.95 2br5 h TRP 78 N 0.74 0.29 0.12 1.13 2.91 -0.53 -0.08 115.95 120.53 2br5 h TRP 78 Ca 0.16 -0.11 -0.35 0.00 1.13 0.00 0.00 58.89 59.72 2br5 h TRP 78 Cb 0.33 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 28.91 2br5 h TRP 78 CO 0.02 0.77 -1.88 1.49 -1.03 0.00 0.00 178.44 177.80 2br5 h GLU 79 N 0.17 0.25 0.09 2.65 4.81 -1.36 -3.39 114.58 117.81 2br5 h GLU 79 Ca -0.01 -0.43 -0.19 0.00 -0.13 0.00 0.00 59.36 58.60 2br5 h GLU 79 Cb 1.09 0.16 0.02 0.00 0.63 0.00 0.00 28.75 30.65 2br5 h GLU 79 CO 0.09 1.20 -0.82 1.25 -0.73 0.00 0.00 179.01 180.01 2br5 h LEU 80 N -0.05 0.56 -2.46 1.64 6.46 -1.51 -3.49 115.31 116.45 2br5 h LEU 80 Ca -0.41 -0.87 -0.04 0.00 -0.12 0.00 0.00 57.88 56.45 2br5 h LEU 80 Cb 1.95 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.71 2br5 h LEU 80 CO 0.06 1.37 -0.13 0.54 -0.62 0.00 0.00 178.44 179.66 2br5 n ARG 81 N -4.10 -1.44 -2.29 1.25 1.74 -0.04 -4.91 116.66 106.85 2br5 n ARG 81 Ca -0.13 1.51 -0.42 0.00 -0.77 0.00 0.00 57.85 58.05 2br5 n ARG 81 Cb 0.80 -5.50 -0.03 0.00 -1.02 0.00 0.00 32.46 26.71 2br5 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br5 s PRO 82 N -3.09 4.41 0.38 5.56 0.04 -1.26 -4.65 135.00 136.39 2br5 s PRO 82 Ca 0.03 1.95 0.27 0.00 0.04 0.00 0.00 61.00 63.29 2br5 s PRO 82 Cb -0.01 -3.25 0.87 0.00 0.04 0.00 0.00 34.50 32.15 2br5 s PRO 82 CO 0.76 -0.25 1.77 0.00 0.04 0.00 0.00 177.00 179.33 2br5 h ARG 83 N 5.94 0.00 -2.58 4.56 2.47 -1.18 -3.40 114.38 120.20 2br5 h ARG 83 Ca -0.43 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.18 2br5 h ARG 83 Cb 1.21 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 29.26 2br5 h ARG 83 CO 0.79 0.00 -0.33 0.99 0.56 0.00 0.00 179.97 181.99 2br5 s THR 84 N -3.33 -0.30 -0.12 2.04 2.01 -0.81 -1.60 115.64 113.53 2br5 s THR 84 Ca 0.06 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.19 2br5 s THR 84 Cb 0.09 -0.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 2br5 s THR 84 CO 0.56 0.05 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.79 2br5 s ILE 85 N 1.95 3.14 -0.16 1.82 1.01 -0.89 -1.04 121.20 127.03 2br5 s ILE 85 Ca -0.06 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.96 2br5 s ILE 85 Cb -0.10 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.08 2br5 s ILE 85 CO -0.13 0.54 -0.20 -0.69 0.00 0.00 0.00 174.94 174.46 2br5 s VAL 86 N 0.12 1.98 -0.50 2.92 1.01 0.36 -1.14 120.40 125.15 2br5 s VAL 86 Ca -0.06 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 2br5 s VAL 86 Cb -0.15 -1.78 0.13 0.00 0.00 0.00 0.00 36.38 34.58 2br5 s VAL 86 CO 0.04 0.53 0.31 -1.61 0.00 0.00 0.00 175.10 174.38 2br5 s GLU 87 N 1.11 2.28 -0.25 2.72 2.02 0.05 -0.37 118.70 126.26 2br5 s GLU 87 Ca -0.00 -2.06 -0.29 0.00 0.02 0.00 0.00 54.97 52.64 2br5 s GLU 87 Cb -0.14 -3.69 -0.02 0.00 0.10 0.00 0.00 34.13 30.37 2br5 s GLU 87 CO -0.08 -1.13 1.62 -1.17 0.02 0.00 0.00 175.26 174.53 2br5 s LEU 88 N 0.75 3.81 0.00 1.80 0.20 -0.47 -1.38 118.68 123.38 2br5 s LEU 88 Ca 0.11 1.50 0.00 0.00 0.69 0.00 0.00 54.13 56.43 2br5 s LEU 88 Cb -0.22 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 2br5 s LEU 88 CO -0.04 -1.34 0.00 0.61 -0.29 0.00 0.00 176.35 175.29 2br5 n GLY 89 N 4.81 -0.33 0.12 7.98 0.00 0.06 -0.62 105.19 117.21 2br5 n GLY 89 Ca 0.19 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 2br5 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br5 n VAL 90 N 0.49 1.60 0.00 1.61 0.31 -1.26 -4.76 118.33 116.32 2br5 n VAL 90 Ca 0.00 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 2br5 n VAL 90 Cb 0.00 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 2br5 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br5 n TYR 91 N -3.23 0.00 0.38 3.52 9.36 -1.26 -2.46 117.16 123.46 2br5 n TYR 91 Ca -0.35 0.00 0.04 0.00 3.32 0.00 0.00 57.90 60.92 2br5 n TYR 91 Cb 1.04 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.78 2br5 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2br5 n ASN 92 N 8.22 1.62 0.00 2.98 2.04 -1.26 -3.56 115.26 125.30 2br5 n ASN 92 Ca 0.00 -1.31 0.00 0.00 -0.44 0.00 0.00 54.58 52.83 2br5 n ASN 92 Cb 0.00 0.10 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 2br5 n ASN 92 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2br5 n GLY 93 N 0.57 0.55 0.29 4.83 0.00 -1.03 -0.52 105.19 109.89 2br5 n GLY 93 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 2br5 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br5 h GLY 94 N 0.00 1.19 1.42 -0.02 0.00 -1.83 -0.17 103.07 103.67 2br5 h GLY 94 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2br5 h GLY 94 CO 0.00 0.15 0.01 1.48 0.00 0.00 0.00 176.54 178.18 2br5 h SER 95 N 0.77 0.67 -0.75 0.19 4.64 -1.89 -0.36 113.55 116.82 2br5 h SER 95 Ca 0.37 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 2br5 h SER 95 Cb 0.30 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 2br5 h SER 95 CO -0.23 0.74 0.31 -0.07 -0.87 0.00 0.00 176.83 176.72 2br5 h LEU 96 N 0.67 1.03 -0.89 5.97 4.07 -1.52 -0.53 115.31 124.11 2br5 h LEU 96 Ca 0.14 -0.16 -0.09 0.00 0.08 0.00 0.00 57.88 57.84 2br5 h LEU 96 Cb 0.40 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2br5 h LEU 96 CO 0.01 0.91 -0.44 0.00 -1.08 0.00 0.00 178.44 177.85 2br5 h ALA 97 N 1.16 0.99 -0.04 1.53 0.00 -0.71 -2.51 119.26 119.68 2br5 h ALA 97 Ca 0.25 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2br5 h ALA 97 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2br5 h ALA 97 CO -0.02 0.55 -0.17 2.35 0.00 0.00 0.00 179.25 181.95 2br5 h TRP 98 N 0.00 0.24 -0.20 0.00 7.01 -0.69 -1.83 115.95 120.49 2br5 h TRP 98 Ca -0.00 -0.11 0.02 0.00 2.11 0.00 0.00 58.89 60.91 2br5 h TRP 98 Cb 0.95 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.95 2br5 h TRP 98 CO 0.00 0.81 0.08 0.74 -2.79 0.00 0.00 178.44 177.28 2br5 h PHE 99 N -0.40 0.14 0.35 2.65 -1.00 -1.06 -0.97 116.94 116.65 2br5 h PHE 99 Ca -0.01 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2br5 h PHE 99 Cb 0.83 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.36 2br5 h PHE 99 CO 0.14 0.08 -0.17 -0.09 -1.61 0.00 0.00 178.31 176.66 2br5 h ARG 100 N 0.18 -0.45 -0.75 1.51 1.12 -1.50 -1.35 114.38 113.14 2br5 h ARG 100 Ca 0.08 0.03 0.08 0.00 -1.11 0.00 0.00 59.98 59.07 2br5 h ARG 100 Cb 0.04 0.10 -0.07 0.00 -0.01 0.00 0.00 29.97 30.04 2br5 h ARG 100 CO -0.08 -0.29 0.41 -0.44 -3.11 0.00 0.00 179.97 176.46 2br5 h ASP 101 N -0.47 0.58 0.15 -3.80 3.32 -1.28 -1.05 116.42 113.87 2br5 h ASP 101 Ca -0.05 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 2br5 h ASP 101 Cb 0.36 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2br5 h ASP 101 CO 0.08 0.34 -0.62 0.25 -1.72 0.00 0.00 179.24 177.57 2br5 h LEU 102 N 0.71 0.52 -0.56 1.55 5.85 -0.96 -2.21 115.31 120.21 2br5 h LEU 102 Ca 0.36 -0.30 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 2br5 h LEU 102 Cb 0.31 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2br5 h LEU 102 CO -0.24 1.01 -0.67 0.71 -0.34 0.00 0.00 178.44 178.92 2br5 h THR 103 N 0.34 1.42 -0.08 1.05 1.35 -1.05 -2.87 112.91 113.07 2br5 h THR 103 Ca -0.01 -2.15 -0.01 0.00 -0.55 0.00 0.00 66.41 63.69 2br5 h THR 103 Cb 1.17 2.13 -0.00 0.00 -1.73 0.00 0.00 68.15 69.71 2br5 h THR 103 CO 0.11 0.63 0.02 0.50 -0.25 0.00 0.00 175.52 176.54 2br5 h LYS 104 N 0.15 0.13 0.00 4.72 3.64 -0.94 -1.63 116.57 122.64 2br5 h LYS 104 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2br5 h LYS 104 Cb 1.21 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2br5 h LYS 104 CO 0.10 0.30 0.00 0.97 -2.27 0.00 0.00 179.45 178.55 2br5 h ILE 105 N -0.07 0.00 0.00 2.00 6.09 -1.40 -1.69 117.51 122.45 2br5 h ILE 105 Ca 0.03 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 2br5 h ILE 105 Cb 0.23 1.13 0.00 0.00 0.47 0.00 0.00 36.82 38.65 2br5 h ILE 105 CO -0.00 0.00 -0.48 0.23 -3.07 0.00 0.00 178.15 174.83 2br5 n MET 106 N -2.47 0.08 -0.11 2.19 2.81 -1.09 -4.94 117.12 113.60 2br5 n MET 106 Ca 0.02 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 2br5 n MET 106 Cb 0.26 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 2br5 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br5 n GLY 107 N 1.45 0.62 3.71 3.03 0.00 -0.63 -5.05 105.19 108.32 2br5 n GLY 107 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2br5 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br5 s ILE 108 N -2.32 4.24 -0.92 -0.61 1.01 -0.63 -4.97 121.20 117.00 2br5 s ILE 108 Ca 0.00 1.60 -0.24 0.00 0.00 0.00 0.00 60.65 62.01 2br5 s ILE 108 Cb 0.00 -4.03 0.05 0.00 0.01 0.00 0.00 42.46 38.49 2br5 s ILE 108 CO 0.00 0.10 1.38 -0.62 0.00 0.00 0.00 174.94 175.79 2br5 s ASP 109 N 1.14 6.39 -0.02 3.58 3.68 -1.26 -4.30 116.67 125.89 2br5 s ASP 109 Ca 0.57 -1.15 0.07 0.00 2.13 0.00 0.00 52.55 54.16 2br5 s ASP 109 Cb -0.27 -2.56 -0.02 0.00 -1.45 0.00 0.00 42.92 38.63 2br5 s ASP 109 CO 0.27 -1.60 -0.22 0.00 0.13 0.00 0.00 175.17 173.76 2br5 s GLN 111 N -0.46 2.81 0.03 0.00 -1.52 -0.63 -4.90 119.66 115.00 2br5 s GLN 111 Ca 0.07 -1.10 -0.29 0.00 -1.95 0.00 0.00 55.36 52.09 2br5 s GLN 111 Cb -0.09 -3.75 -0.04 0.00 -0.22 0.00 0.00 33.01 28.91 2br5 s GLN 111 CO -0.00 -0.72 0.94 0.08 -0.25 0.00 0.00 175.29 175.34 2br5 s VAL 112 N 1.55 4.75 -0.02 1.09 1.01 -0.35 -2.10 120.40 126.34 2br5 s VAL 112 Ca 0.02 2.00 0.04 0.00 0.00 0.00 0.00 61.98 64.04 2br5 s VAL 112 Cb -0.19 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 2br5 s VAL 112 CO 0.07 0.23 -0.14 -0.63 0.00 0.00 0.00 175.10 174.62 2br5 s ILE 113 N 0.61 1.16 -0.07 2.22 1.01 -0.29 -1.78 121.20 124.05 2br5 s ILE 113 Ca 0.49 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.54 2br5 s ILE 113 Cb -0.22 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.30 2br5 s ILE 113 CO 0.28 0.33 -0.08 -0.83 0.00 0.00 0.00 174.94 174.64 2br5 s GLY 114 N -0.19 0.68 -0.16 6.18 0.00 0.22 -0.77 107.32 113.28 2br5 s GLY 114 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.42 2br5 s GLY 114 CO 0.00 0.49 -0.17 -0.42 0.00 0.00 0.00 173.10 173.00 2br5 s ILE 115 N 1.15 1.79 -0.09 0.90 1.01 -0.48 -1.27 121.20 124.22 2br5 s ILE 115 Ca -0.06 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 2br5 s ILE 115 Cb -0.14 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.70 2br5 s ILE 115 CO -0.01 0.50 0.23 -0.62 0.00 0.00 0.00 174.94 175.04 2br5 s ASP 116 N 1.37 -0.24 0.57 3.58 -1.08 -1.08 -0.76 116.67 119.02 2br5 s ASP 116 Ca 0.04 0.47 0.32 0.00 -0.52 0.00 0.00 52.55 52.87 2br5 s ASP 116 Cb -0.13 0.47 1.70 0.00 -1.46 0.00 0.00 42.92 43.50 2br5 s ASP 116 CO -0.11 -0.09 2.15 0.08 0.52 0.00 0.00 175.17 177.72 2br5 h ARG 117 N 5.92 0.00 -4.38 4.34 0.11 -1.87 -2.69 114.38 115.80 2br5 h ARG 117 Ca -0.27 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.26 2br5 h ARG 117 Cb 1.19 0.00 -0.36 0.00 1.11 0.00 0.00 29.97 31.91 2br5 h ARG 117 CO 0.36 0.06 -0.81 0.34 0.10 0.00 0.00 179.97 180.02 2br5 s ASP 118 N -5.88 2.25 0.00 0.08 2.15 -1.26 -4.55 116.67 109.47 2br5 s ASP 118 Ca -0.03 -0.35 0.03 0.00 0.43 0.00 0.00 52.55 52.64 2br5 s ASP 118 Cb 0.13 -0.92 0.01 0.00 -0.30 0.00 0.00 42.92 41.83 2br5 s ASP 118 CO 0.54 -0.08 0.45 0.18 -0.17 0.00 0.00 175.17 176.08 2br5 n LEU 119 N 4.74 0.90 -0.36 -1.34 4.77 -1.26 -4.76 117.00 119.70 2br5 n LEU 119 Ca -0.15 -0.84 0.26 0.00 -0.03 0.00 0.00 56.01 55.26 2br5 n LEU 119 Cb 0.50 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 42.13 2br5 n LEU 119 CO 0.19 0.20 1.21 0.77 -1.33 0.00 0.00 177.39 178.43 2br5 h SER 120 N 0.44 0.41 0.00 -1.43 4.64 -1.95 -2.05 113.55 113.61 2br5 h SER 120 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2br5 h SER 120 Cb 0.12 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2br5 h SER 120 CO 0.00 -0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.49 2br5 n ARG 121 N -4.71 0.90 -2.76 4.77 3.00 -1.26 -4.87 116.66 111.73 2br5 n ARG 121 Ca 0.29 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.71 2br5 n ARG 121 Cb 1.03 -1.27 -0.03 0.00 0.00 0.00 0.00 32.46 32.19 2br5 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2br5 n GLN 123 N 6.57 1.73 -2.44 0.00 1.13 0.32 -4.92 117.38 119.77 2br5 n GLN 123 Ca 0.09 -1.06 -0.43 0.00 -1.94 0.00 0.00 57.00 53.66 2br5 n GLN 123 Cb 0.47 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 29.33 2br5 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br5 s ILE 124 N -1.97 4.26 0.56 5.09 1.01 -1.25 -5.02 121.20 123.89 2br5 s ILE 124 Ca 0.37 1.56 -0.19 0.00 0.00 0.00 0.00 60.65 62.39 2br5 s ILE 124 Cb 0.21 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 2br5 s ILE 124 CO 0.32 -0.07 1.12 -2.16 0.00 0.00 0.00 174.94 174.16 2br5 s PRO 125 N 2.83 3.27 0.00 2.79 0.04 -1.26 -4.91 135.00 137.76 2br5 s PRO 125 Ca 0.55 1.57 0.12 0.00 0.04 0.00 0.00 61.00 63.28 2br5 s PRO 125 Cb -0.23 -2.00 0.60 0.00 0.04 0.00 0.00 34.50 32.91 2br5 s PRO 125 CO 0.18 -0.91 1.29 0.00 0.04 0.00 0.00 177.00 177.61 2br5 n ALA 126 N -1.49 1.71 0.02 8.56 0.00 -1.26 -3.07 120.51 124.99 2br5 n ALA 126 Ca 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 2br5 n ALA 126 Cb 0.51 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 2br5 n ALA 126 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2br5 h SER 127 N 0.00 -0.10 -0.93 0.00 0.02 -2.03 -3.35 113.55 107.16 2br5 h SER 127 Ca 0.00 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.22 2br5 h SER 127 Cb 0.12 0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.59 2br5 h SER 127 CO 0.00 0.23 2.68 -0.90 -1.14 0.00 0.00 176.83 177.70 2br5 n ASP 128 N -4.02 7.89 -0.44 3.07 5.75 -1.17 -4.23 116.55 123.39 2br5 n ASP 128 Ca -0.02 -3.03 0.04 0.00 -0.01 0.00 0.00 54.79 51.78 2br5 n ASP 128 Cb 0.05 -1.41 0.12 0.00 -1.03 0.00 0.00 41.12 38.84 2br5 n ASP 128 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 2br5 n MET 129 N 2.32 2.84 -2.39 0.11 1.56 -1.25 -4.83 117.12 115.48 2br5 n MET 129 Ca 0.64 -1.99 -0.39 0.00 -0.27 0.00 0.00 57.70 55.68 2br5 n MET 129 Cb 0.25 -1.26 -0.03 0.00 2.15 0.00 0.00 33.22 34.33 2br5 n MET 129 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2br5 s GLU 130 N -1.28 4.38 -2.09 2.12 2.12 -1.26 -2.73 118.70 119.96 2br5 s GLU 130 Ca 0.18 1.83 0.00 0.00 0.36 0.00 0.00 54.97 57.34 2br5 s GLU 130 Cb 0.11 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.56 2br5 s GLU 130 CO 0.10 -0.03 0.00 0.09 -0.54 0.00 0.00 175.26 174.87 2br5 n ASN 131 N 0.66 -5.50 -4.20 -1.70 4.13 -1.26 -4.99 115.26 102.40 2br5 n ASN 131 Ca 0.01 0.42 -0.25 0.00 1.68 0.00 0.00 54.58 56.45 2br5 n ASN 131 Cb 0.45 -4.75 -0.15 0.00 -1.54 0.00 0.00 39.78 33.80 2br5 n ASN 131 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2br5 s ILE 132 N -2.79 1.47 -0.01 2.41 1.01 -1.10 -1.22 121.20 120.97 2br5 s ILE 132 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.70 2br5 s ILE 132 Cb 0.00 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.23 2br5 s ILE 132 CO 0.00 0.28 0.01 -0.89 0.00 0.00 0.00 174.94 174.33 2br5 s THR 133 N -0.62 0.03 -0.14 2.92 2.01 -0.73 -5.00 115.64 114.11 2br5 s THR 133 Ca 0.06 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 2br5 s THR 133 Cb -0.08 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 2br5 s THR 133 CO 0.00 0.05 0.01 -0.76 -0.69 0.00 0.00 174.62 173.23 2br5 s LEU 134 N 0.41 3.56 0.10 4.42 1.02 -1.26 -0.61 118.68 126.32 2br5 s LEU 134 Ca -0.04 0.05 0.09 0.00 0.02 0.00 0.00 54.13 54.26 2br5 s LEU 134 Cb -0.05 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2br5 s LEU 134 CO -0.01 0.26 -0.22 -1.00 0.02 0.00 0.00 176.35 175.39 2br5 s HIS 135 N -0.15 2.43 -0.13 0.29 3.76 -0.39 -4.96 115.29 116.13 2br5 s HIS 135 Ca 0.05 -0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 54.62 2br5 s HIS 135 Cb -0.12 -1.34 -0.02 0.00 1.11 0.00 0.00 32.58 32.21 2br5 s HIS 135 CO 0.02 0.31 -0.09 -1.14 -0.85 0.00 0.00 174.74 172.99 2br5 s GLN 136 N -1.87 3.41 0.00 1.40 0.74 -1.26 -2.63 119.66 119.46 2br5 s GLN 136 Ca 0.15 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 54.94 2br5 s GLN 136 Cb -0.10 -2.72 0.00 0.00 1.10 0.00 0.00 33.01 31.29 2br5 s GLN 136 CO 0.07 0.27 0.00 0.41 -0.55 0.00 0.00 175.29 175.49 2br5 n GLY 137 N 3.39 -0.87 0.00 2.59 0.00 -1.01 -4.91 105.19 104.38 2br5 n GLY 137 Ca -0.18 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.60 2br5 n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2br5 n ASP 138 N 0.00 0.00 -4.51 1.61 10.43 -1.26 -4.48 116.55 118.33 2br5 n ASP 138 Ca 0.00 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 57.05 2br5 n ASP 138 Cb 0.00 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 42.84 2br5 n ASP 138 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2br5 n HIS 147 N 1.39 0.00 -3.81 0.00 -0.00 -1.26 -5.21 115.22 106.33 2br5 n HIS 147 Ca -0.15 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.73 2br5 n HIS 147 Cb 0.52 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.24 2br5 n HIS 147 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2br5 s LEU 148 N 0.00 2.47 -0.43 0.27 0.20 -1.26 -5.06 118.68 114.88 2br5 s LEU 148 Ca 0.00 -1.48 0.03 0.00 0.69 0.00 0.00 54.13 53.36 2br5 s LEU 148 Cb 0.00 -0.99 0.12 0.00 -0.43 0.00 0.00 46.19 44.90 2br5 s LEU 148 CO 0.00 -0.36 0.20 -0.13 -0.29 0.00 0.00 176.35 175.77 2br5 s ARG 149 N 1.52 1.47 -0.71 1.98 1.81 -1.26 -4.86 118.95 118.90 2br5 s ARG 149 Ca 0.05 -2.07 -0.01 0.00 -1.72 0.00 0.00 55.73 51.98 2br5 s ARG 149 Cb -0.18 -2.75 0.41 0.00 -0.45 0.00 0.00 34.95 31.98 2br5 s ARG 149 CO -0.16 -1.09 1.95 -1.91 -0.68 0.00 0.00 175.30 173.40 2br5 n GLU 150 N 3.68 2.80 -3.72 3.54 4.07 -1.26 -5.04 120.64 124.71 2br5 n GLU 150 Ca 0.05 -3.48 -0.35 0.00 -0.06 0.00 0.00 57.16 53.32 2br5 n GLU 150 Cb 0.36 -2.28 -0.05 0.00 -0.06 0.00 0.00 31.44 29.40 2br5 n GLU 150 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 2br5 s MET 151 N -3.90 3.63 0.24 5.31 -1.94 -1.26 -5.06 119.30 116.31 2br5 s MET 151 Ca 0.58 0.00 -0.23 0.00 -1.71 0.00 0.00 55.69 54.33 2br5 s MET 151 Cb 0.47 -3.09 -0.09 0.00 2.01 0.00 0.00 34.83 34.14 2br5 s MET 151 CO -0.17 0.65 0.81 0.00 -0.01 0.00 0.00 175.02 176.30 2br5 s ALA 152 N -1.27 3.36 0.29 3.03 0.00 -1.26 -5.06 121.76 120.85 2br5 s ALA 152 Ca 0.27 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.63 2br5 s ALA 152 Cb -0.14 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 2br5 s ALA 152 CO 0.15 0.27 0.40 -1.01 0.00 0.00 0.00 175.76 175.57 2br5 s HIS 153 N -1.43 3.22 0.87 0.00 3.76 -1.26 -3.51 115.29 116.93 2br5 s HIS 153 Ca 0.43 -0.15 -0.10 0.00 -0.15 0.00 0.00 55.06 55.09 2br5 s HIS 153 Cb -0.19 -1.78 0.12 0.00 1.11 0.00 0.00 32.58 31.83 2br5 s HIS 153 CO 0.24 0.21 1.12 -2.14 -0.85 0.00 0.00 174.74 173.31 2br5 s PRO 154 N -4.07 1.38 -0.00 8.40 0.02 -1.26 -4.44 135.00 135.03 2br5 s PRO 154 Ca 0.40 1.37 0.03 0.00 0.02 0.00 0.00 61.00 62.82 2br5 s PRO 154 Cb -0.09 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.64 2br5 s PRO 154 CO 0.30 -2.32 -0.08 -1.17 -0.33 0.00 0.00 177.00 173.39 2br5 s LEU 155 N -6.38 2.03 -0.13 -5.54 0.20 -1.26 -0.79 118.68 106.80 2br5 s LEU 155 Ca 0.65 -0.17 -0.01 0.00 0.69 0.00 0.00 54.13 55.29 2br5 s LEU 155 Cb -0.21 -0.42 -0.02 0.00 -0.43 0.00 0.00 46.19 45.11 2br5 s LEU 155 CO 0.57 0.09 -0.08 -0.63 -0.29 0.00 0.00 176.35 176.01 2br5 s ILE 156 N -0.24 3.49 -0.18 6.68 1.01 -0.21 -1.45 121.20 130.31 2br5 s ILE 156 Ca 0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 2br5 s ILE 156 Cb -0.03 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 2br5 s ILE 156 CO -0.00 0.53 -0.10 0.12 0.00 0.00 0.00 174.94 175.49 2br5 s PHE 157 N 0.14 2.88 -0.23 3.97 5.36 -0.61 -0.49 117.98 129.00 2br5 s PHE 157 Ca -0.04 -0.93 0.01 0.00 -0.96 0.00 0.00 56.93 55.01 2br5 s PHE 157 Cb -0.14 -1.98 0.04 0.00 -0.34 0.00 0.00 43.02 40.60 2br5 s PHE 157 CO 0.04 -0.46 -0.13 0.42 -1.46 0.00 0.00 175.22 173.63 2br5 s ILE 158 N 1.03 2.29 -0.85 3.12 1.01 0.50 -0.61 121.20 127.70 2br5 s ILE 158 Ca -0.00 -1.30 -0.21 0.00 0.00 0.00 0.00 60.65 59.13 2br5 s ILE 158 Cb -0.15 -2.20 0.09 0.00 0.01 0.00 0.00 42.46 40.22 2br5 s ILE 158 CO -0.02 0.19 1.14 -0.62 0.00 0.00 0.00 174.94 175.64 2br5 s ASP 159 N 1.21 6.42 0.00 3.58 3.68 0.20 -1.37 116.67 130.39 2br5 s ASP 159 Ca -0.03 -1.48 0.18 0.00 2.13 0.00 0.00 52.55 53.35 2br5 s ASP 159 Cb -0.17 -2.45 -0.16 0.00 -1.45 0.00 0.00 42.92 38.69 2br5 s ASP 159 CO -0.07 -1.32 0.81 -3.20 0.13 0.00 0.00 175.17 171.51 2br5 n ASN 160 N 7.55 1.04 -4.38 -0.34 2.85 0.21 -2.93 115.26 119.26 2br5 n ASN 160 Ca 0.15 -1.02 -0.45 0.00 -0.11 0.00 0.00 54.58 53.16 2br5 n ASN 160 Cb 0.48 0.90 -0.07 0.00 1.24 0.00 0.00 39.78 42.34 2br5 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2br5 s ALA 161 N -2.62 3.56 -2.00 5.20 0.00 -0.91 -4.81 121.76 120.17 2br5 s ALA 161 Ca 0.09 -2.17 0.16 0.00 0.00 0.00 0.00 51.96 50.04 2br5 s ALA 161 Cb 0.14 -3.16 0.94 0.00 0.00 0.00 0.00 23.12 21.05 2br5 s ALA 161 CO 0.70 -1.84 1.53 0.72 0.00 0.00 0.00 175.76 176.87 2br5 n HIS 162 N 5.35 0.00 -1.82 0.00 -0.00 -1.26 -4.73 115.22 112.76 2br5 n HIS 162 Ca -0.12 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.29 2br5 n HIS 162 Cb 0.43 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.45 2br5 n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2br5 s ALA 163 N -2.00 2.96 -1.40 -1.41 0.00 -1.26 -4.62 121.76 114.03 2br5 s ALA 163 Ca 0.24 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 2br5 s ALA 163 Cb 0.11 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.16 2br5 s ALA 163 CO 0.18 -0.91 0.32 -1.71 0.00 0.00 0.00 175.76 173.64 2br5 n ASN 164 N -2.89 -1.19 -0.08 0.00 4.05 -1.26 -4.87 115.26 109.02 2br5 n ASN 164 Ca 0.06 -1.24 -0.11 0.00 0.45 0.00 0.00 54.58 53.75 2br5 n ASN 164 Cb 0.55 -1.89 -0.06 0.00 1.23 0.00 0.00 39.78 39.60 2br5 n ASN 164 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2br5 h THR 165 N -2.09 0.57 -0.17 -0.44 2.02 -1.89 -3.14 112.91 107.78 2br5 h THR 165 Ca -0.68 -1.58 0.05 0.00 0.77 0.00 0.00 66.41 64.97 2br5 h THR 165 Cb 1.40 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 2br5 h THR 165 CO 0.62 0.19 0.14 -0.26 0.37 0.00 0.00 175.52 176.58 2br5 h PHE 166 N -1.00 0.00 -0.28 3.16 -1.00 -1.98 0.12 116.94 115.96 2br5 h PHE 166 Ca -0.11 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.55 2br5 h PHE 166 Cb 0.74 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.29 2br5 h PHE 166 CO -0.00 0.00 -0.31 -0.91 -1.61 0.00 0.00 178.31 175.48 2br5 h ASN 167 N 0.00 0.76 0.40 2.17 2.35 -1.97 -2.29 115.58 117.00 2br5 h ASN 167 Ca 0.08 -0.48 -0.08 0.00 -0.55 0.00 0.00 56.30 55.27 2br5 h ASN 167 Cb 0.35 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2br5 h ASN 167 CO -0.00 1.09 -0.36 0.40 -1.65 0.00 0.00 177.43 176.90 2br5 h ILE 168 N 0.44 1.21 -0.37 2.81 2.04 -1.13 -1.08 117.51 121.43 2br5 h ILE 168 Ca 0.04 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.53 2br5 h ILE 168 Cb 0.89 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2br5 h ILE 168 CO 0.08 0.36 -0.18 -0.03 0.00 0.00 0.00 178.15 178.37 2br5 h MET 169 N 0.00 0.78 -0.36 2.37 4.05 -0.71 0.97 114.93 122.04 2br5 h MET 169 Ca -0.00 -0.34 -0.10 0.00 -0.28 0.00 0.00 59.70 58.98 2br5 h MET 169 Cb 0.66 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 2br5 h MET 169 CO 0.05 0.96 -0.18 -0.22 0.23 0.00 0.00 176.91 177.75 2br5 h LYS 170 N 0.58 0.67 -0.40 0.39 3.11 -1.26 -1.79 116.57 117.87 2br5 h LYS 170 Ca 0.08 -0.24 -0.08 0.00 -2.81 0.00 0.00 60.65 57.61 2br5 h LYS 170 Cb 0.73 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.89 2br5 h LYS 170 CO 0.05 0.81 -0.07 2.35 -2.81 0.00 0.00 179.45 179.79 2br5 h TRP 171 N 0.60 0.73 0.00 1.91 7.01 -0.94 -1.89 115.95 123.38 2br5 h TRP 171 Ca 0.09 -0.11 -0.17 0.00 2.11 0.00 0.00 58.89 60.81 2br5 h TRP 171 Cb 0.64 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.48 2br5 h TRP 171 CO 0.03 0.73 -0.83 0.00 -2.79 0.00 0.00 178.44 175.58 2br5 h ALA 172 N 1.30 0.58 0.00 2.65 0.00 -0.56 -2.19 119.26 121.04 2br5 h ALA 172 Ca 0.12 -0.75 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 2br5 h ALA 172 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2br5 h ALA 172 CO 0.03 1.04 -0.44 0.28 0.00 0.00 0.00 179.25 180.15 2br5 h VAL 173 N 0.00 0.81 0.00 0.00 2.07 -1.10 0.19 116.25 118.22 2br5 h VAL 173 Ca -0.01 -1.95 -0.17 0.00 0.82 0.00 0.00 66.70 65.38 2br5 h VAL 173 Cb 1.52 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 33.52 2br5 h VAL 173 CO 0.11 0.43 -1.35 0.44 0.02 0.00 0.00 177.57 177.22 2br5 h ASP 174 N 0.00 0.00 0.00 0.57 3.32 -1.26 -3.42 116.42 115.64 2br5 h ASP 174 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2br5 h ASP 174 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 2br5 h ASP 174 CO 0.06 0.61 -1.00 1.41 -1.72 0.00 0.00 179.24 178.60 2br5 n HIS 175 N -2.94 0.00 0.04 4.55 8.25 -0.83 -4.99 115.22 119.31 2br5 n HIS 175 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2br5 n HIS 175 Cb 0.85 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.96 2br5 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br5 n LEU 176 N -1.66 0.66 -4.72 2.41 7.94 -0.55 -5.06 117.00 116.01 2br5 n LEU 176 Ca -0.00 0.13 -0.42 0.00 -1.11 0.00 0.00 56.01 54.61 2br5 n LEU 176 Cb 0.16 -0.17 -0.03 0.00 0.53 0.00 0.00 43.42 43.91 2br5 n LEU 176 CO 0.00 -0.55 0.97 -0.76 -1.11 0.00 0.00 177.39 175.94 2br5 s LEU 177 N -6.65 4.39 0.53 -1.96 1.43 0.55 -5.03 118.68 111.93 2br5 s LEU 177 Ca 0.00 2.23 0.06 0.00 -1.03 0.00 0.00 54.13 55.39 2br5 s LEU 177 Cb 0.00 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.66 2br5 s LEU 177 CO 0.00 -0.54 0.41 -1.61 0.23 0.00 0.00 176.35 174.85 2br5 s GLU 178 N 0.72 2.28 0.44 1.70 2.02 -1.26 -4.93 118.70 119.67 2br5 s GLU 178 Ca 0.60 -1.94 -0.25 0.00 0.02 0.00 0.00 54.97 53.39 2br5 s GLU 178 Cb -0.34 -2.15 -0.08 0.00 0.10 0.00 0.00 34.13 31.66 2br5 s GLU 178 CO 0.32 -0.57 1.36 -2.00 0.02 0.00 0.00 175.26 174.39 2br5 s GLU 179 N -4.27 3.77 0.00 1.61 2.12 -1.26 -2.36 118.70 118.30 2br5 s GLU 179 Ca 0.37 2.27 0.00 0.00 0.36 0.00 0.00 54.97 57.97 2br5 s GLU 179 Cb -0.02 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.71 2br5 s GLU 179 CO 0.23 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 2br5 n GLY 180 N 0.62 1.89 3.61 -1.50 0.00 -0.95 -5.00 105.19 103.86 2br5 n GLY 180 Ca 0.05 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2br5 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2br5 n ASP 181 N 2.12 1.40 -4.90 1.61 8.00 -1.00 -4.55 116.55 119.24 2br5 n ASP 181 Ca 0.00 1.08 -0.33 0.00 0.71 0.00 0.00 54.79 56.26 2br5 n ASP 181 Cb 0.00 -1.35 -0.05 0.00 -0.02 0.00 0.00 41.12 39.70 2br5 n ASP 181 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2br5 s TYR 182 N -1.21 3.53 -0.11 1.24 1.51 -0.53 -1.81 117.35 119.97 2br5 s TYR 182 Ca 0.61 0.41 0.01 0.00 -1.01 0.00 0.00 57.07 57.10 2br5 s TYR 182 Cb -0.59 -1.88 0.02 0.00 -0.11 0.00 0.00 41.96 39.40 2br5 s TYR 182 CO 0.58 0.58 -0.14 0.12 -1.11 0.00 0.00 175.55 175.58 2br5 s PHE 183 N -1.43 1.93 -0.06 2.71 5.36 -0.49 -1.57 117.98 124.43 2br5 s PHE 183 Ca 0.32 -0.94 0.03 0.00 -0.96 0.00 0.00 56.93 55.39 2br5 s PHE 183 Cb -0.13 -1.41 0.01 0.00 -0.34 0.00 0.00 43.02 41.14 2br5 s PHE 183 CO 0.22 -0.50 -0.15 0.42 -1.46 0.00 0.00 175.22 173.74 2br5 s ILE 184 N 1.13 1.32 -0.32 3.12 1.01 0.22 -1.62 121.20 126.07 2br5 s ILE 184 Ca -0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 2br5 s ILE 184 Cb -0.14 -1.17 0.06 0.00 0.01 0.00 0.00 42.46 41.22 2br5 s ILE 184 CO -0.04 0.39 0.03 -0.63 0.00 0.00 0.00 174.94 174.70 2br5 s ILE 185 N 0.37 2.96 0.46 2.92 1.01 0.02 -0.63 121.20 128.31 2br5 s ILE 185 Ca -0.10 -1.57 -0.14 0.00 0.00 0.00 0.00 60.65 58.83 2br5 s ILE 185 Cb -0.14 -2.79 -0.07 0.00 0.01 0.00 0.00 42.46 39.47 2br5 s ILE 185 CO 0.04 -0.24 0.89 -1.61 0.00 0.00 0.00 174.94 174.02 2br5 s GLU 186 N 1.20 3.89 0.00 2.79 2.02 -1.15 -4.45 118.70 123.01 2br5 s GLU 186 Ca -0.02 0.75 0.00 0.00 0.02 0.00 0.00 54.97 55.72 2br5 s GLU 186 Cb -0.20 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.77 2br5 s GLU 186 CO -0.02 -0.15 0.00 -0.25 0.02 0.00 0.00 175.26 174.86 2br5 n ASP 187 N -1.38 0.00 -0.25 -0.19 8.00 0.11 -4.51 116.55 118.33 2br5 n ASP 187 Ca 0.05 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.69 2br5 n ASP 187 Cb 0.54 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 42.21 2br5 n ASP 187 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2br5 n MET 188 N 0.00 1.09 0.23 -1.24 2.81 -1.26 -4.31 117.12 114.44 2br5 n MET 188 Ca 0.00 -0.51 -0.16 0.00 -1.81 0.00 0.00 57.70 55.22 2br5 n MET 188 Cb 0.00 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 30.94 2br5 n MET 188 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2br5 h ILE 189 N 1.25 0.29 0.00 2.02 1.08 -1.83 -1.94 117.51 118.38 2br5 h ILE 189 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2br5 h ILE 189 Cb 0.40 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 2br5 h ILE 189 CO 0.00 0.00 -0.09 1.55 -0.69 0.00 0.00 178.15 178.92 2br5 h PRO 190 N -0.73 0.00 -0.05 2.37 0.13 -1.79 -1.52 132.00 130.41 2br5 h PRO 190 Ca -0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.96 2br5 h PRO 190 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2br5 h PRO 190 CO -0.04 0.09 -0.61 1.88 -0.23 0.00 0.00 178.00 179.09 2br5 h TYR 191 N 0.00 0.23 0.00 1.56 -1.99 -1.73 -2.20 116.97 112.83 2br5 h TYR 191 Ca -0.00 -0.09 -0.12 0.00 2.00 0.00 0.00 58.73 60.52 2br5 h TYR 191 Cb 0.24 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 2br5 h TYR 191 CO 0.00 0.74 -0.57 -1.49 -0.00 0.00 0.00 178.16 176.83 2br5 h TRP 192 N 0.13 0.00 0.00 4.88 6.55 -0.50 -1.90 115.95 125.12 2br5 h TRP 192 Ca -0.01 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.73 2br5 h TRP 192 Cb 1.10 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.38 2br5 h TRP 192 CO 0.02 0.57 -0.48 -0.92 -1.05 0.00 0.00 178.44 176.57 2br5 h TYR 193 N 0.00 0.00 0.06 0.49 3.20 -1.43 -2.88 116.97 116.40 2br5 h TYR 193 Ca -0.01 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2br5 h TYR 193 Cb 1.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2br5 h TYR 193 CO 0.00 0.48 -0.03 -0.09 -1.64 0.00 0.00 178.16 176.89 2br5 h ARG 194 N 0.00 -0.07 0.17 1.82 9.65 -1.13 -3.29 114.38 121.52 2br5 h ARG 194 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2br5 h ARG 194 Cb 1.20 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 2br5 h ARG 194 CO 0.06 0.44 -0.08 1.88 2.80 0.00 0.00 179.97 185.07 2br5 h TYR 195 N -0.63 -0.21 -3.13 2.20 0.99 -1.45 -3.42 116.97 111.33 2br5 h TYR 195 Ca -0.01 -0.00 -0.62 0.00 2.00 0.00 0.00 58.73 60.09 2br5 h TYR 195 Cb 0.54 0.07 -0.41 0.00 1.00 0.00 0.00 36.73 37.93 2br5 h TYR 195 CO 0.10 -0.13 -0.62 0.00 -0.00 0.00 0.00 178.16 177.52 2br5 s ALA 196 N -3.19 3.46 0.06 3.88 0.00 -1.09 -4.99 121.76 119.90 2br5 s ALA 196 Ca -0.03 -3.54 -0.18 0.00 0.00 0.00 0.00 51.96 48.20 2br5 s ALA 196 Cb 0.00 -2.12 -0.12 0.00 0.00 0.00 0.00 23.12 20.89 2br5 s ALA 196 CO 0.10 -2.07 1.39 -1.00 0.00 0.00 0.00 175.76 174.18 2br5 h PRO 197 N 5.79 0.49 0.02 0.00 0.13 -1.70 -2.34 132.00 134.39 2br5 h PRO 197 Ca 0.08 -0.25 0.03 0.00 -0.87 0.00 0.00 66.00 64.99 2br5 h PRO 197 Cb 0.81 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 2br5 h PRO 197 CO 0.68 0.82 -0.31 1.96 -0.23 0.00 0.00 178.00 180.92 2br5 h GLN 198 N 0.17 -0.46 -0.68 0.86 4.20 -1.92 -2.58 115.11 114.70 2br5 h GLN 198 Ca 0.04 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 2br5 h GLN 198 Cb 0.72 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2br5 h GLN 198 CO 0.05 -0.31 0.15 -0.07 -0.67 0.00 0.00 178.83 177.98 2br5 h LEU 199 N -0.48 1.05 -0.17 1.46 3.38 -1.95 -2.76 115.31 115.84 2br5 h LEU 199 Ca 0.06 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2br5 h LEU 199 Cb 0.55 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2br5 h LEU 199 CO -0.25 1.02 -0.09 0.15 0.09 0.00 0.00 178.44 179.37 2br5 h PHE 200 N 1.03 -0.20 -0.31 1.13 3.57 -1.25 0.43 116.94 121.34 2br5 h PHE 200 Ca 0.21 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2br5 h PHE 200 Cb 0.39 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2br5 h PHE 200 CO 0.03 -0.13 0.16 0.77 -2.23 0.00 0.00 178.31 176.91 2br5 h SER 201 N -0.07 0.39 -0.42 0.41 0.02 -1.36 -0.61 113.55 111.91 2br5 h SER 201 Ca 0.10 -0.10 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2br5 h SER 201 Cb 0.21 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 2br5 h SER 201 CO -0.22 0.38 0.05 -0.08 -1.14 0.00 0.00 176.83 175.82 2br5 h GLU 202 N 0.38 0.16 -0.38 3.45 4.81 -1.22 0.36 114.58 122.14 2br5 h GLU 202 Ca 0.11 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 2br5 h GLU 202 Cb 0.08 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2br5 h GLU 202 CO -0.02 0.11 -0.25 1.88 -0.73 0.00 0.00 179.01 180.00 2br5 h TYR 203 N 0.17 0.89 -0.06 0.92 0.99 -0.55 -0.96 116.97 118.37 2br5 h TYR 203 Ca 0.21 -0.21 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 2br5 h TYR 203 Cb 0.28 -0.21 0.01 0.00 1.00 0.00 0.00 36.73 37.80 2br5 h TYR 203 CO -0.24 0.94 -0.85 -0.07 -0.00 0.00 0.00 178.16 177.94 2br5 h LEU 204 N 0.67 0.68 0.00 3.88 3.38 -1.00 -3.21 115.31 119.72 2br5 h LEU 204 Ca 0.09 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2br5 h LEU 204 Cb 0.77 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2br5 h LEU 204 CO 0.06 1.27 0.00 0.61 0.09 0.00 0.00 178.44 180.48 2br5 n GLY 205 N 0.79 -1.01 0.18 0.83 0.00 0.13 -2.25 105.19 103.85 2br5 n GLY 205 Ca -0.07 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 45.96 2br5 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2br5 h ALA 206 N 2.54 0.92 -0.55 4.61 0.00 -1.18 -3.06 119.26 122.54 2br5 h ALA 206 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2br5 h ALA 206 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2br5 h ALA 206 CO 0.00 0.46 0.00 1.19 0.00 0.00 0.00 179.25 180.90 2br5 n PHE 207 N -3.42 1.26 -0.28 0.00 3.01 -0.95 -4.58 117.46 112.50 2br5 n PHE 207 Ca 0.00 -0.50 0.19 0.00 1.01 0.00 0.00 57.45 58.15 2br5 n PHE 207 Cb 0.54 -0.22 0.48 0.00 -0.01 0.00 0.00 39.48 40.28 2br5 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2br5 h ARG 208 N 3.44 0.45 -0.01 -1.08 -0.00 -1.65 -0.83 114.38 114.71 2br5 h ARG 208 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 2br5 h ARG 208 Cb 1.26 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 31.13 2br5 h ARG 208 CO 0.20 0.30 -0.05 -0.25 -0.00 0.00 0.00 179.97 180.17 2br5 n ASP 209 N -4.56 0.74 0.00 0.08 8.00 -1.26 -4.36 116.55 115.19 2br5 n ASP 209 Ca 0.21 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.67 2br5 n ASP 209 Cb 0.71 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 2br5 n ASP 209 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2br5 n VAL 210 N -0.55 0.00 -4.32 2.53 0.24 -0.43 -4.72 118.33 111.08 2br5 n VAL 210 Ca 0.19 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.20 2br5 n VAL 210 Cb 0.26 -0.39 -0.11 0.00 -1.47 0.00 0.00 33.84 32.13 2br5 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br5 s LEU 211 N -4.35 2.67 0.24 1.34 1.43 -0.52 -1.25 118.68 118.23 2br5 s LEU 211 Ca 0.00 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.53 2br5 s LEU 211 Cb 0.00 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 2br5 s LEU 211 CO 0.00 0.16 -0.03 -0.94 0.23 0.00 0.00 176.35 175.78 2br5 s SER 212 N -2.26 2.09 -0.32 2.29 1.04 -0.94 -4.52 113.70 111.08 2br5 s SER 212 Ca 0.19 -1.19 -0.13 0.00 0.48 0.00 0.00 55.95 55.29 2br5 s SER 212 Cb -0.10 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 2br5 s SER 212 CO 0.10 -0.45 0.28 -0.32 0.98 0.00 0.00 173.24 173.83 2br5 s MET 213 N -3.82 3.68 -0.51 4.02 1.75 -1.26 -1.72 119.30 121.44 2br5 s MET 213 Ca 0.28 -0.42 -0.28 0.00 -1.25 0.00 0.00 55.69 54.02 2br5 s MET 213 Cb 0.05 -3.76 0.01 0.00 2.84 0.00 0.00 34.83 33.97 2br5 s MET 213 CO 0.09 -0.39 1.44 0.34 -0.65 0.00 0.00 175.02 175.85 2br5 s ASP 214 N 1.73 6.15 0.00 1.11 -1.08 -0.64 -4.89 116.67 119.05 2br5 s ASP 214 Ca 0.09 0.50 0.08 0.00 -0.52 0.00 0.00 52.55 52.70 2br5 s ASP 214 Cb -0.17 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.07 2br5 s ASP 214 CO 0.11 -1.65 1.23 0.23 0.52 0.00 0.00 175.17 175.61 2br5 n MET 215 N 8.48 1.31 0.06 4.34 2.81 -1.26 -1.91 117.12 130.95 2br5 n MET 215 Ca 0.14 -0.48 0.02 0.00 -1.81 0.00 0.00 57.70 55.58 2br5 n MET 215 Cb 0.49 -1.16 -0.05 0.00 -0.71 0.00 0.00 33.22 31.79 2br5 n MET 215 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2br5 h LEU 216 N 0.82 0.00 0.00 4.03 5.85 -1.98 -3.41 115.31 120.62 2br5 h LEU 216 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2br5 h LEU 216 Cb 0.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2br5 h LEU 216 CO 0.00 0.49 -1.03 -1.22 -0.34 0.00 0.00 178.44 176.34 2br5 n TYR 217 N -2.93 0.00 0.64 1.25 0.53 -1.12 -4.76 117.16 110.77 2br5 n TYR 217 Ca -0.06 0.00 0.10 0.00 -1.02 0.00 0.00 57.90 56.92 2br5 n TYR 217 Cb 0.78 -0.01 0.42 0.00 -1.03 0.00 0.00 39.34 39.49 2br5 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br5 n ALA 218 N -1.56 1.88 -0.59 -0.72 0.00 -0.80 -2.23 120.51 116.49 2br5 n ALA 218 Ca -0.00 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.43 2br5 n ALA 218 Cb 0.05 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.24 2br5 n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2br5 n ASN 219 N -1.59 1.96 -1.04 0.00 3.02 -1.26 -0.28 115.26 116.07 2br5 n ASN 219 Ca 0.04 -2.41 0.10 0.00 -0.03 0.00 0.00 54.58 52.28 2br5 n ASN 219 Cb 0.23 -0.19 0.22 0.00 -0.61 0.00 0.00 39.78 39.44 2br5 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br5 n ALA 220 N -0.85 2.35 -3.63 5.41 0.00 -0.95 -4.93 120.51 117.91 2br5 n ALA 220 Ca 0.07 -1.11 -0.14 0.00 0.00 0.00 0.00 53.44 52.26 2br5 n ALA 220 Cb 0.45 -0.74 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 2br5 n ALA 220 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2br5 s SER 221 N -1.15 -0.72 0.23 0.00 0.15 -1.26 -4.77 113.70 106.17 2br5 s SER 221 Ca 0.36 1.39 -0.06 0.00 0.70 0.00 0.00 55.95 58.35 2br5 s SER 221 Cb 0.20 1.41 0.23 0.00 -1.71 0.00 0.00 66.02 66.15 2br5 s SER 221 CO 0.27 -0.24 1.78 0.77 1.20 0.00 0.00 173.24 177.01 2br5 h SER 222 N 4.93 0.99 0.12 5.45 4.64 -1.95 -1.08 113.55 126.64 2br5 h SER 222 Ca -0.29 -0.18 -0.18 0.00 -0.47 0.00 0.00 61.79 60.67 2br5 h SER 222 Cb 1.16 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2br5 h SER 222 CO 0.06 0.92 -0.67 1.56 -0.87 0.00 0.00 176.83 177.83 2br5 h GLN 223 N 1.02 0.51 -0.41 4.77 4.20 -1.96 -3.13 115.11 120.11 2br5 h GLN 223 Ca 0.22 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2br5 h GLN 223 Cb 0.29 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2br5 h GLN 223 CO -0.01 1.01 0.00 1.28 -0.67 0.00 0.00 178.83 180.44 2br5 n LEU 224 N -3.90 3.25 -4.42 1.46 4.77 -1.20 0.07 117.00 117.03 2br5 n LEU 224 Ca -0.04 -1.44 -0.50 0.00 -0.03 0.00 0.00 56.01 54.00 2br5 n LEU 224 Cb 0.67 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.41 2br5 n LEU 224 CO 0.48 0.72 1.86 -0.67 -1.33 0.00 0.00 177.39 178.45 2br5 n ASP 225 N 1.34 1.66 -1.71 -1.43 2.03 -0.41 -0.66 116.55 117.37 2br5 n ASP 225 Ca 0.19 0.36 -0.15 0.00 0.52 0.00 0.00 54.79 55.71 2br5 n ASP 225 Cb 0.56 -1.18 -0.01 0.00 -0.72 0.00 0.00 41.12 39.78 2br5 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2br5 n ARG 226 N 8.17 -1.20 -0.04 -0.67 1.74 0.62 -4.51 116.66 120.77 2br5 n ARG 226 Ca 0.46 0.72 0.02 0.00 -0.77 0.00 0.00 57.85 58.29 2br5 n ARG 226 Cb 0.18 -5.06 0.03 0.00 -1.02 0.00 0.00 32.46 26.59 2br5 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br5 n GLY 227 N -1.02 2.33 3.36 -0.13 0.00 0.17 -4.95 105.19 104.95 2br5 n GLY 227 Ca -0.18 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 2br5 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br5 s VAL 228 N -1.17 4.97 0.22 1.61 1.01 -1.25 -0.80 120.40 124.99 2br5 s VAL 228 Ca 0.06 -1.12 0.09 0.00 0.00 0.00 0.00 61.98 61.01 2br5 s VAL 228 Cb 0.06 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2br5 s VAL 228 CO 0.01 -0.54 -0.05 -0.76 0.00 0.00 0.00 175.10 173.75 2br5 s LEU 229 N 1.59 3.07 -0.17 3.92 1.43 -0.64 -1.62 118.68 126.26 2br5 s LEU 229 Ca 0.04 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 2br5 s LEU 229 Cb -0.24 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.36 2br5 s LEU 229 CO 0.06 0.05 0.46 0.00 0.23 0.00 0.00 176.35 177.15 2br5 s ARG 230 N -3.25 0.52 0.20 1.70 1.70 -0.70 -1.39 118.95 117.73 2br5 s ARG 230 Ca 0.28 0.67 -0.32 0.00 -0.47 0.00 0.00 55.73 55.89 2br5 s ARG 230 Cb -0.08 0.23 -0.14 0.00 -0.57 0.00 0.00 34.95 34.39 2br5 s ARG 230 CO 0.17 -0.08 1.35 -2.13 -1.08 0.00 0.00 175.30 173.54 2br5 n ARG 231 N 3.02 1.74 -0.05 3.89 3.00 -0.75 -2.22 116.66 125.29 2br5 n ARG 231 Ca -0.15 0.62 -0.06 0.00 -0.00 0.00 0.00 57.85 58.26 2br5 n ARG 231 Cb 0.57 -2.24 -0.06 0.00 0.00 0.00 0.00 32.46 30.73 2br5 n ARG 231 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2br5 n VAL 232 N 1.99 0.63 0.00 5.15 0.24 -0.38 -2.23 118.33 123.73 2br5 n VAL 232 Ca 0.14 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2br5 n VAL 232 Cb 0.28 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 2br5 n VAL 232 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69