#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br7 n ALA 2 N 0.00 -0.09 0.93 1.69 0.00 -1.26 -4.86 120.51 116.93 2br7 n ALA 2 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.64 2br7 n ALA 2 Cb 0.00 -1.38 0.53 0.00 0.00 0.00 0.00 19.45 18.60 2br7 n ALA 2 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2br7 n ASN 3 N -0.45 0.00 -0.30 0.00 2.04 -1.26 -3.28 115.26 112.00 2br7 n ASN 3 Ca -0.06 0.22 0.13 0.00 -0.44 0.00 0.00 54.58 54.43 2br7 n ASN 3 Cb 0.45 -0.39 0.25 0.00 -2.53 0.00 0.00 39.78 37.57 2br7 n ASN 3 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 2br7 n LEU 4 N -1.39 -0.10 -0.04 -4.53 7.94 -1.26 0.40 117.00 118.01 2br7 n LEU 4 Ca 0.08 1.46 0.00 0.00 -1.11 0.00 0.00 56.01 56.45 2br7 n LEU 4 Cb 0.22 -0.53 0.01 0.00 0.53 0.00 0.00 43.42 43.64 2br7 n LEU 4 CO 0.19 -1.48 0.07 0.80 -1.11 0.00 0.00 177.39 175.86 2br7 n MET 5 N -5.25 -0.02 0.04 1.96 1.56 -1.21 -0.17 117.12 114.04 2br7 n MET 5 Ca 0.20 0.17 -0.13 0.00 -0.27 0.00 0.00 57.70 57.68 2br7 n MET 5 Cb 0.66 -0.26 -0.08 0.00 2.15 0.00 0.00 33.22 35.70 2br7 n MET 5 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 2br7 h ARG 6 N 0.00 -0.05 -0.99 2.12 2.43 -0.36 -2.62 114.38 114.92 2br7 h ARG 6 Ca 0.04 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.41 2br7 h ARG 6 Cb 0.07 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.54 2br7 h ARG 6 CO -0.11 0.13 0.61 1.25 -1.51 0.00 0.00 179.97 180.34 2br7 h LEU 7 N -0.22 0.71 -0.26 3.80 5.85 -0.67 0.31 115.31 124.82 2br7 h LEU 7 Ca -0.01 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2br7 h LEU 7 Cb 0.20 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2br7 h LEU 7 CO 0.01 0.27 -0.06 0.11 -0.34 0.00 0.00 178.44 178.42 2br7 h LYS 8 N 0.70 0.51 0.00 1.25 1.57 -1.06 -1.83 116.57 117.70 2br7 h LYS 8 Ca 0.55 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2br7 h LYS 8 Cb 0.94 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2br7 h LYS 8 CO -0.33 0.72 -0.02 -1.13 -0.57 0.00 0.00 179.45 178.12 2br7 n SER 9 N -4.54 0.79 0.11 0.86 3.41 -0.92 -1.53 113.62 111.81 2br7 n SER 9 Ca -0.04 0.56 -0.03 0.00 -0.26 0.00 0.00 58.87 59.11 2br7 n SER 9 Cb 0.30 -0.76 0.06 0.00 -0.26 0.00 0.00 64.21 63.55 2br7 n SER 9 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2br7 h ASP 10 N 0.00 0.00 0.00 4.04 3.32 -0.82 -3.20 116.42 119.76 2br7 h ASP 10 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2br7 h ASP 10 Cb 0.73 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 2br7 h ASP 10 CO 0.00 0.75 -0.95 0.18 -1.72 0.00 0.00 179.24 177.50 2br7 n LEU 11 N -3.57 1.84 0.04 1.55 4.77 -0.70 -4.31 117.00 116.63 2br7 n LEU 11 Ca -0.00 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 2br7 n LEU 11 Cb 0.75 -0.90 -0.09 0.00 -2.33 0.00 0.00 43.42 40.85 2br7 n LEU 11 CO 0.44 -0.10 -0.38 0.49 -1.33 0.00 0.00 177.39 176.50 2br7 n PHE 12 N -4.51 0.49 1.01 -1.77 3.72 -0.58 -4.05 117.46 111.77 2br7 n PHE 12 Ca -0.20 0.14 0.11 0.00 -0.05 0.00 0.00 57.45 57.45 2br7 n PHE 12 Cb 0.48 -0.74 0.04 0.00 -0.94 0.00 0.00 39.48 38.32 2br7 n PHE 12 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2br7 n ASN 13 N -2.48 2.24 0.12 4.37 5.03 -1.21 -4.38 115.26 118.95 2br7 n ASN 13 Ca -0.03 -1.62 0.06 0.00 0.87 0.00 0.00 54.58 53.86 2br7 n ASN 13 Cb 0.58 0.34 0.02 0.00 -1.02 0.00 0.00 39.78 39.70 2br7 n ASN 13 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2br7 h ARG 14 N 2.98 0.00 -2.28 3.52 9.65 -1.70 -3.47 114.38 123.08 2br7 h ARG 14 Ca 0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 2br7 h ARG 14 Cb 0.81 0.00 -0.19 0.00 -1.39 0.00 0.00 29.97 29.20 2br7 h ARG 14 CO 0.00 0.21 0.09 -1.54 2.80 0.00 0.00 179.97 181.53 2br7 s SER 15 N -5.96 -0.55 0.76 -3.80 1.04 -1.26 -5.11 113.70 98.81 2br7 s SER 15 Ca 0.02 0.54 -0.16 0.00 0.48 0.00 0.00 55.95 56.83 2br7 s SER 15 Cb 0.08 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 2br7 s SER 15 CO 0.76 -0.60 0.42 -2.65 0.98 0.00 0.00 173.24 172.14 2br7 n PRO 16 N 0.90 0.19 -1.50 4.02 -0.02 -1.26 -4.84 135.00 132.49 2br7 n PRO 16 Ca -0.19 0.10 -0.44 0.00 -2.02 0.00 0.00 63.50 60.95 2br7 n PRO 16 Cb 0.57 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.29 2br7 n PRO 16 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2br7 n MET 17 N -0.60 0.79 -1.68 -0.52 0.00 -1.26 -4.83 117.12 109.01 2br7 n MET 17 Ca 0.09 0.28 -0.53 0.00 -0.00 0.00 0.00 57.70 57.54 2br7 n MET 17 Cb 0.51 -1.57 -0.06 0.00 0.00 0.00 0.00 33.22 32.10 2br7 n MET 17 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 2br7 n TYR 18 N -0.31 2.07 0.90 1.12 9.36 -1.26 -4.84 117.16 124.19 2br7 n TYR 18 Ca 0.12 0.36 0.03 0.00 3.32 0.00 0.00 57.90 61.73 2br7 n TYR 18 Cb 0.34 -2.51 0.10 0.00 -0.63 0.00 0.00 39.34 36.65 2br7 n TYR 18 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2br7 n PRO 19 N 5.11 1.79 0.00 2.98 -0.04 -1.26 -4.78 135.00 138.79 2br7 n PRO 19 Ca 0.23 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 2br7 n PRO 19 Cb 0.20 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 2br7 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2br7 n GLY 20 N 0.49 1.36 3.64 0.55 0.00 -1.26 -4.95 105.19 105.01 2br7 n GLY 20 Ca 0.07 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 2br7 n GLY 20 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2br7 s PRO 21 N -1.86 4.06 0.00 1.61 0.02 -1.26 -5.04 135.00 132.52 2br7 s PRO 21 Ca 0.00 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.05 2br7 s PRO 21 Cb 0.00 -3.74 0.00 0.00 0.02 0.00 0.00 34.50 30.78 2br7 s PRO 21 CO 0.00 -0.89 0.00 0.25 -0.33 0.00 0.00 177.00 176.03 2br7 n THR 22 N 5.85 0.00 -0.02 0.99 -2.24 -0.98 -4.82 114.28 113.06 2br7 n THR 22 Ca 0.11 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.68 2br7 n THR 22 Cb 0.47 -1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 67.51 2br7 n THR 22 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2br7 n LYS 23 N -0.83 0.73 -0.13 -0.78 4.81 -1.26 -4.08 118.16 116.61 2br7 n LYS 23 Ca 0.00 0.26 -0.09 0.00 -0.87 0.00 0.00 58.31 57.62 2br7 n LYS 23 Cb 0.00 -1.68 0.06 0.00 0.02 0.00 0.00 35.03 33.43 2br7 n LYS 23 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2br7 h ASP 24 N -0.01 0.90 -3.81 3.14 5.19 -1.95 -3.35 116.42 116.52 2br7 h ASP 24 Ca -0.45 -0.31 -0.74 0.00 -0.62 0.00 0.00 57.03 54.91 2br7 h ASP 24 Cb 1.97 -0.25 -0.30 0.00 0.18 0.00 0.00 39.33 40.93 2br7 h ASP 24 CO 0.04 1.06 -0.19 -0.62 -3.12 0.00 0.00 179.24 176.40 2br7 s ASP 25 N -6.71 5.93 0.12 6.45 2.15 -1.26 -5.09 116.67 118.27 2br7 s ASP 25 Ca -0.10 -2.57 0.00 0.00 0.43 0.00 0.00 52.55 50.31 2br7 s ASP 25 Cb 0.13 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.72 2br7 s ASP 25 CO 0.85 -0.53 0.00 -0.81 -0.17 0.00 0.00 175.17 174.51 2br7 n PRO 26 N 4.02 1.37 -3.63 4.34 -0.04 -1.26 -2.33 135.00 137.47 2br7 n PRO 26 Ca 0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.48 2br7 n PRO 26 Cb 0.42 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.82 2br7 n PRO 26 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2br7 s LEU 27 N 0.00 -0.94 -0.27 1.53 2.96 -0.99 -4.90 118.68 116.08 2br7 s LEU 27 Ca 0.00 1.42 -0.15 0.00 -0.22 0.00 0.00 54.13 55.18 2br7 s LEU 27 Cb 0.00 2.26 -0.04 0.00 0.50 0.00 0.00 46.19 48.91 2br7 s LEU 27 CO 0.00 -0.21 0.37 -0.89 -1.32 0.00 0.00 176.35 174.29 2br7 s THR 28 N 2.03 5.18 -0.18 3.68 2.01 -1.26 0.49 115.64 127.59 2br7 s THR 28 Ca -0.08 0.56 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 2br7 s THR 28 Cb -0.07 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 2br7 s THR 28 CO -0.19 0.17 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.10 2br7 s VAL 29 N 2.02 2.91 0.11 3.82 1.01 -0.37 -4.06 120.40 125.84 2br7 s VAL 29 Ca 0.15 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 2br7 s VAL 29 Cb -0.16 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 2br7 s VAL 29 CO 0.10 0.48 0.53 -0.89 0.00 0.00 0.00 175.10 175.32 2br7 s THR 30 N 1.09 4.87 -0.01 3.92 2.01 -0.24 -1.91 115.64 125.37 2br7 s THR 30 Ca 0.00 0.89 0.05 0.00 0.31 0.00 0.00 61.69 62.94 2br7 s THR 30 Cb -0.14 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 2br7 s THR 30 CO -0.03 0.36 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.88 2br7 s LEU 31 N -1.65 2.03 -0.20 4.42 2.96 0.52 -2.67 118.68 124.09 2br7 s LEU 31 Ca 0.34 -0.30 -0.16 0.00 -0.22 0.00 0.00 54.13 53.80 2br7 s LEU 31 Cb -0.16 -0.84 0.05 0.00 0.50 0.00 0.00 46.19 45.74 2br7 s LEU 31 CO 0.18 0.20 0.51 -0.83 -1.32 0.00 0.00 176.35 175.09 2br7 s GLY 32 N -0.37 -0.40 -0.11 7.98 0.00 -0.20 -4.38 107.32 109.85 2br7 s GLY 32 Ca 0.06 1.57 -0.01 0.00 0.00 0.00 0.00 44.72 46.34 2br7 s GLY 32 CO -0.01 1.47 -0.06 -1.36 0.00 0.00 0.00 173.10 173.14 2br7 s PHE 33 N 0.68 2.96 -0.32 1.90 0.08 -1.26 0.52 117.98 122.55 2br7 s PHE 33 Ca -0.03 -0.16 -0.09 0.00 0.12 0.00 0.00 56.93 56.76 2br7 s PHE 33 Cb -0.05 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 2br7 s PHE 33 CO -0.05 0.14 0.14 0.99 -0.10 0.00 0.00 175.22 176.35 2br7 s THR 34 N -0.26 4.42 -0.30 0.64 2.01 0.01 -2.50 115.64 119.66 2br7 s THR 34 Ca 0.04 -0.57 -0.23 0.00 0.31 0.00 0.00 61.69 61.24 2br7 s THR 34 Cb -0.13 -3.30 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 2br7 s THR 34 CO 0.02 0.02 0.75 -0.22 -0.69 0.00 0.00 174.62 174.51 2br7 s LEU 35 N 1.57 4.10 -0.10 4.42 2.96 -0.86 0.09 118.68 130.86 2br7 s LEU 35 Ca 0.04 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 2br7 s LEU 35 Cb -0.17 -3.02 -0.24 0.00 0.50 0.00 0.00 46.19 43.25 2br7 s LEU 35 CO 0.05 -0.56 0.45 0.00 -1.32 0.00 0.00 176.35 174.97 2br7 n GLN 36 N 6.09 0.70 -3.64 1.98 6.02 0.76 -4.07 117.38 125.22 2br7 n GLN 36 Ca 0.03 0.26 -0.06 0.00 -0.01 0.00 0.00 57.00 57.21 2br7 n GLN 36 Cb 0.48 -1.73 -0.07 0.00 1.02 0.00 0.00 30.24 29.95 2br7 n GLN 36 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2br7 s ASP 37 N -6.55 -0.35 -0.28 1.08 2.15 -1.02 0.60 116.67 112.31 2br7 s ASP 37 Ca -0.15 0.65 -0.16 0.00 0.43 0.00 0.00 52.55 53.32 2br7 s ASP 37 Cb 0.07 0.75 -0.03 0.00 -0.30 0.00 0.00 42.92 43.42 2br7 s ASP 37 CO 0.79 -0.11 0.43 -0.63 -0.17 0.00 0.00 175.17 175.47 2br7 s ILE 38 N 0.39 5.13 -0.17 4.11 1.01 -1.26 -0.69 121.20 129.73 2br7 s ILE 38 Ca 0.02 0.62 -0.22 0.00 0.00 0.00 0.00 60.65 61.06 2br7 s ILE 38 Cb -0.05 -3.76 -0.20 0.00 0.01 0.00 0.00 42.46 38.46 2br7 s ILE 38 CO -0.10 0.09 0.42 0.58 0.00 0.00 0.00 174.94 175.93 2br7 h VAL 39 N 5.42 1.18 -3.85 2.92 2.07 -1.14 -3.42 116.25 119.43 2br7 h VAL 39 Ca -0.30 -2.09 -0.13 0.00 0.82 0.00 0.00 66.70 64.99 2br7 h VAL 39 Cb 1.15 2.44 -0.18 0.00 -1.52 0.00 0.00 31.29 33.17 2br7 h VAL 39 CO 0.68 0.40 -0.57 -0.75 0.02 0.00 0.00 177.57 177.35 2br7 s LYS 40 N -2.23 0.53 -0.07 1.57 2.20 -1.25 -4.91 119.74 115.60 2br7 s LYS 40 Ca -0.21 -0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 54.64 2br7 s LYS 40 Cb 0.01 0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.56 2br7 s LYS 40 CO 0.57 -0.12 0.00 0.08 -0.36 0.00 0.00 175.35 175.51 2br7 s VAL 41 N -2.42 0.35 -0.43 4.02 1.01 -1.26 -1.93 120.40 119.73 2br7 s VAL 41 Ca -0.07 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 2br7 s VAL 41 Cb -0.02 -0.50 0.10 0.00 0.00 0.00 0.00 36.38 35.95 2br7 s VAL 41 CO -0.04 0.25 0.27 -0.62 0.00 0.00 0.00 175.10 174.96 2br7 s ASP 42 N 1.85 5.56 0.00 3.32 -1.08 -0.62 -4.93 116.67 120.77 2br7 s ASP 42 Ca 0.03 -1.74 0.29 0.00 -0.52 0.00 0.00 52.55 50.61 2br7 s ASP 42 Cb -0.12 -1.96 1.46 0.00 -1.46 0.00 0.00 42.92 40.84 2br7 s ASP 42 CO -0.04 -0.59 1.99 -1.54 0.52 0.00 0.00 175.17 175.51 2br7 n SER 43 N 4.85 0.00 -0.06 -0.34 3.41 -1.26 -2.56 113.62 117.66 2br7 n SER 43 Ca -0.08 -0.17 -0.01 0.00 -0.26 0.00 0.00 58.87 58.35 2br7 n SER 43 Cb 0.42 -0.27 -0.15 0.00 -0.26 0.00 0.00 64.21 63.95 2br7 n SER 43 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2br7 n SER 44 N -1.27 0.41 0.00 4.04 3.41 -1.26 -4.76 113.62 114.19 2br7 n SER 44 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2br7 n SER 44 Cb 0.22 1.37 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 2br7 n SER 44 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2br7 n THR 45 N -2.48 0.00 0.00 6.66 -2.24 -1.21 -5.05 114.28 109.97 2br7 n THR 45 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2br7 n THR 45 Cb 0.85 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2br7 n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2br7 n ASN 46 N -0.81 0.00 -4.20 3.42 4.13 -1.06 -5.06 115.26 111.68 2br7 n ASN 46 Ca 0.00 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.98 2br7 n ASN 46 Cb 0.00 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.08 2br7 n ASN 46 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2br7 s GLU 47 N 0.00 1.91 0.06 3.52 2.02 -1.18 -0.34 118.70 124.68 2br7 s GLU 47 Ca 0.00 -0.74 0.09 0.00 0.02 0.00 0.00 54.97 54.34 2br7 s GLU 47 Cb 0.00 -1.72 -0.03 0.00 0.10 0.00 0.00 34.13 32.48 2br7 s GLU 47 CO 0.00 0.37 -0.24 0.08 0.02 0.00 0.00 175.26 175.49 2br7 s VAL 48 N -0.25 2.37 -0.28 2.63 1.01 -0.03 -1.59 120.40 124.26 2br7 s VAL 48 Ca 0.02 -1.40 -0.06 0.00 0.00 0.00 0.00 61.98 60.54 2br7 s VAL 48 Cb -0.10 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2br7 s VAL 48 CO 0.01 0.30 0.05 -1.81 0.00 0.00 0.00 175.10 173.65 2br7 s ASP 49 N -1.46 4.93 0.06 3.32 1.11 -0.81 -1.17 116.67 122.64 2br7 s ASP 49 Ca 0.13 -0.68 0.03 0.00 0.18 0.00 0.00 52.55 52.21 2br7 s ASP 49 Cb -0.10 -1.84 -0.04 0.00 1.07 0.00 0.00 42.92 42.01 2br7 s ASP 49 CO 0.04 -0.16 0.06 -0.76 1.18 0.00 0.00 175.17 175.53 2br7 s LEU 50 N 1.48 3.72 -0.15 1.23 1.43 0.40 -0.50 118.68 126.28 2br7 s LEU 50 Ca 0.03 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2br7 s LEU 50 Cb -0.17 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.72 2br7 s LEU 50 CO 0.01 0.20 -0.14 -0.69 0.23 0.00 0.00 176.35 175.96 2br7 s VAL 51 N -1.32 1.59 0.21 -1.59 1.01 0.14 -0.36 120.40 120.08 2br7 s VAL 51 Ca 0.27 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2br7 s VAL 51 Cb -0.12 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 2br7 s VAL 51 CO 0.19 0.44 0.29 -0.72 0.00 0.00 0.00 175.10 175.30 2br7 s TYR 52 N 1.48 0.75 -0.16 5.22 -0.85 -0.83 -0.17 117.35 122.78 2br7 s TYR 52 Ca 0.05 -1.04 -0.04 0.00 -0.52 0.00 0.00 57.07 55.52 2br7 s TYR 52 Cb -0.13 -0.20 -0.03 0.00 0.38 0.00 0.00 41.96 41.98 2br7 s TYR 52 CO -0.11 -0.79 -0.04 0.71 -1.52 0.00 0.00 175.55 173.81 2br7 s TYR 53 N -4.08 3.02 -0.42 -3.49 2.02 0.11 -1.73 117.35 112.79 2br7 s TYR 53 Ca 0.29 -0.34 -0.13 0.00 -0.37 0.00 0.00 57.07 56.53 2br7 s TYR 53 Cb 0.04 -1.97 0.05 0.00 -0.40 0.00 0.00 41.96 39.67 2br7 s TYR 53 CO 0.09 -0.07 0.29 -2.00 -1.57 0.00 0.00 175.55 172.29 2br7 s GLU 54 N 0.45 2.86 -0.19 -0.62 2.12 -0.33 -0.81 118.70 122.17 2br7 s GLU 54 Ca -0.04 -1.21 -0.18 0.00 0.36 0.00 0.00 54.97 53.91 2br7 s GLU 54 Cb -0.14 -3.91 -0.03 0.00 0.26 0.00 0.00 34.13 30.31 2br7 s GLU 54 CO 0.03 -0.85 0.49 -1.14 -0.54 0.00 0.00 175.26 173.26 2br7 s GLN 55 N 1.58 4.20 -0.03 4.30 0.74 0.19 -2.76 119.66 127.88 2br7 s GLN 55 Ca 0.03 0.38 0.05 0.00 0.05 0.00 0.00 55.36 55.87 2br7 s GLN 55 Cb -0.21 -3.55 -0.01 0.00 1.10 0.00 0.00 33.01 30.34 2br7 s GLN 55 CO 0.07 -0.11 -0.17 -0.65 -0.55 0.00 0.00 175.29 173.88 2br7 s GLN 56 N 1.52 1.57 -0.00 1.67 -0.21 0.41 -1.04 119.66 123.58 2br7 s GLN 56 Ca 0.23 -0.60 0.02 0.00 0.02 0.00 0.00 55.36 55.03 2br7 s GLN 56 Cb -0.15 -1.43 -0.00 0.00 1.00 0.00 0.00 33.01 32.42 2br7 s GLN 56 CO 0.09 0.30 -0.06 1.03 -2.12 0.00 0.00 175.29 174.54 2br7 s ARG 57 N -0.17 0.48 0.18 2.91 0.52 -1.09 -0.76 118.95 121.03 2br7 s ARG 57 Ca 0.01 -0.21 -0.05 0.00 -0.52 0.00 0.00 55.73 54.97 2br7 s ARG 57 Cb -0.09 -0.46 -0.03 0.00 0.52 0.00 0.00 34.95 34.89 2br7 s ARG 57 CO 0.01 0.13 0.20 1.67 0.02 0.00 0.00 175.30 177.32 2br7 s TRP 58 N -0.14 0.79 -0.13 -0.53 -2.14 -1.15 -1.07 118.94 114.57 2br7 s TRP 58 Ca 0.02 -1.10 0.03 0.00 2.66 0.00 0.00 56.10 57.71 2br7 s TRP 58 Cb -0.02 -0.31 0.01 0.00 -3.10 0.00 0.00 33.47 30.04 2br7 s TRP 58 CO -0.00 -0.68 -0.22 0.21 -2.66 0.00 0.00 176.95 173.60 2br7 s LYS 59 N -4.07 2.97 -0.19 3.25 2.20 -1.26 -1.31 119.74 121.33 2br7 s LYS 59 Ca 0.28 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 2br7 s LYS 59 Cb 0.05 -2.36 0.03 0.00 -1.51 0.00 0.00 37.83 34.05 2br7 s LYS 59 CO 0.06 0.03 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.42 2br7 s LEU 60 N 0.71 2.35 0.56 5.43 1.43 -0.09 -4.89 118.68 124.17 2br7 s LEU 60 Ca -0.10 -0.82 0.24 0.00 -1.03 0.00 0.00 54.13 52.42 2br7 s LEU 60 Cb -0.16 -1.39 1.58 0.00 0.03 0.00 0.00 46.19 46.25 2br7 s LEU 60 CO 0.01 -0.08 2.19 0.78 0.23 0.00 0.00 176.35 179.48 2br7 h ASN 61 N 7.93 0.00 0.33 2.29 2.35 -1.88 -1.58 115.58 125.02 2br7 h ASN 61 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2br7 h ASN 61 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2br7 h ASN 61 CO 0.55 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.79 2br7 n SER 62 N -4.13 0.00 -0.52 5.81 3.41 -1.26 -3.23 113.62 113.70 2br7 n SER 62 Ca -0.02 -0.49 0.06 0.00 -0.26 0.00 0.00 58.87 58.16 2br7 n SER 62 Cb 0.13 -0.17 0.19 0.00 -0.26 0.00 0.00 64.21 64.10 2br7 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2br7 n LEU 63 N -1.17 2.78 -4.80 1.04 4.77 -0.59 -5.03 117.00 114.01 2br7 n LEU 63 Ca 0.18 -3.65 -0.22 0.00 -0.03 0.00 0.00 56.01 52.29 2br7 n LEU 63 Cb 0.18 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 2br7 n LEU 63 CO 0.21 1.18 -0.14 0.00 -1.33 0.00 0.00 177.39 177.31 2br7 s MET 64 N -3.13 2.61 -0.01 3.23 0.23 -1.20 -3.89 119.30 117.13 2br7 s MET 64 Ca 0.37 -1.36 -0.28 0.00 -1.03 0.00 0.00 55.69 53.39 2br7 s MET 64 Cb 0.35 -2.37 0.09 0.00 -1.53 0.00 0.00 34.83 31.37 2br7 s MET 64 CO -0.03 0.15 0.79 1.67 -2.03 0.00 0.00 175.02 175.56 2br7 s TRP 65 N -2.33 -0.48 -0.26 3.16 -2.14 0.20 -4.95 118.94 112.13 2br7 s TRP 65 Ca 0.38 0.58 -0.29 0.00 2.66 0.00 0.00 56.10 59.43 2br7 s TRP 65 Cb -0.05 0.49 0.01 0.00 -3.10 0.00 0.00 33.47 30.82 2br7 s TRP 65 CO 0.25 -0.59 1.09 0.34 -2.66 0.00 0.00 176.95 175.38 2br7 s ASP 66 N -1.90 6.99 0.57 -2.66 2.15 -1.26 -4.60 116.67 115.96 2br7 s ASP 66 Ca -0.02 1.27 0.26 0.00 0.43 0.00 0.00 52.55 54.48 2br7 s ASP 66 Cb -0.01 -2.54 1.58 0.00 -0.30 0.00 0.00 42.92 41.65 2br7 s ASP 66 CO -0.02 -0.79 2.14 -0.65 -0.17 0.00 0.00 175.17 175.67 2br7 h PRO 67 N 7.90 0.00 0.00 4.34 0.11 -1.92 -2.09 132.00 140.34 2br7 h PRO 67 Ca -0.21 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 2br7 h PRO 67 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2br7 h PRO 67 CO 1.00 0.00 -0.19 -0.97 -0.21 0.00 0.00 178.00 177.64 2br7 h ASN 68 N 0.00 0.00 -0.48 -2.05 -0.00 -1.91 -1.61 115.58 109.53 2br7 h ASN 68 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.36 2br7 h ASN 68 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.63 2br7 h ASN 68 CO -0.00 0.19 0.00 -0.62 -0.00 0.00 0.00 177.43 177.00 2br7 n GLU 69 N -3.65 2.17 -2.67 6.67 1.02 -0.78 -4.46 120.64 118.93 2br7 n GLU 69 Ca -0.01 -1.82 -0.08 0.00 -0.02 0.00 0.00 57.16 55.22 2br7 n GLU 69 Cb 0.31 -1.40 0.04 0.00 -0.02 0.00 0.00 31.44 30.37 2br7 n GLU 69 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2br7 n TYR 70 N 0.98 0.67 -2.21 -0.32 4.01 -0.86 -4.98 117.16 114.44 2br7 n TYR 70 Ca 0.17 -2.64 -0.19 0.00 -0.16 0.00 0.00 57.90 55.08 2br7 n TYR 70 Cb 0.43 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.34 2br7 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2br7 n GLY 71 N -0.17 0.01 3.50 2.72 0.00 -1.25 -2.71 105.19 107.29 2br7 n GLY 71 Ca 0.07 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2br7 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2br7 n ASN 72 N -1.58 -2.00 -4.48 1.61 3.02 -0.66 -4.94 115.26 106.23 2br7 n ASN 72 Ca -0.22 -0.67 -0.38 0.00 -0.03 0.00 0.00 54.58 53.28 2br7 n ASN 72 Cb 0.67 -4.86 -0.12 0.00 -0.61 0.00 0.00 39.78 34.86 2br7 n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2br7 s ILE 73 N -3.43 4.67 -0.14 2.41 1.01 -1.10 -4.98 121.20 119.63 2br7 s ILE 73 Ca 0.03 -0.18 0.11 0.00 0.00 0.00 0.00 60.65 60.61 2br7 s ILE 73 Cb -0.01 -3.27 -0.23 0.00 0.01 0.00 0.00 42.46 38.96 2br7 s ILE 73 CO 0.75 0.21 0.28 0.35 0.00 0.00 0.00 174.94 176.54 2br7 n THR 74 N 4.98 1.53 -3.69 2.92 -2.24 -1.26 -4.47 114.28 112.05 2br7 n THR 74 Ca -0.15 -0.77 -0.14 0.00 -2.27 0.00 0.00 64.05 60.72 2br7 n THR 74 Cb 0.51 -0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 2br7 n THR 74 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2br7 s ASP 75 N -6.03 -0.31 0.10 3.42 -4.77 -1.26 0.85 116.67 108.67 2br7 s ASP 75 Ca -0.13 0.18 0.02 0.00 -3.30 0.00 0.00 52.55 49.32 2br7 s ASP 75 Cb 0.07 0.39 -0.04 0.00 -1.09 0.00 0.00 42.92 42.25 2br7 s ASP 75 CO 0.79 -0.54 -0.06 0.72 0.70 0.00 0.00 175.17 176.78 2br7 s PHE 76 N -1.62 0.88 -0.12 2.11 -0.12 0.06 -4.98 117.98 114.19 2br7 s PHE 76 Ca -0.11 -0.92 -0.11 0.00 -0.05 0.00 0.00 56.93 55.74 2br7 s PHE 76 Cb -0.03 -0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 41.80 2br7 s PHE 76 CO 0.04 -0.16 0.25 1.03 -0.05 0.00 0.00 175.22 176.33 2br7 s ARG 77 N -3.84 3.93 0.06 1.99 1.81 -1.26 -0.72 118.95 120.92 2br7 s ARG 77 Ca 0.12 0.06 -0.09 0.00 -1.72 0.00 0.00 55.73 54.10 2br7 s ARG 77 Cb 0.05 -3.31 0.00 0.00 -0.45 0.00 0.00 34.95 31.25 2br7 s ARG 77 CO -0.05 0.51 0.20 -0.08 -0.68 0.00 0.00 175.30 175.20 2br7 s THR 78 N -0.34 0.12 0.34 0.02 -1.32 -0.07 -4.99 115.64 109.41 2br7 s THR 78 Ca 0.17 -1.01 -0.29 0.00 -1.21 0.00 0.00 61.69 59.35 2br7 s THR 78 Cb -0.13 -1.09 -0.11 0.00 -1.51 0.00 0.00 72.50 69.66 2br7 s THR 78 CO 0.05 -0.56 1.47 -0.55 -2.21 0.00 0.00 174.62 172.83 2br7 s SER 79 N -2.40 6.44 0.58 8.08 0.15 -1.26 -0.49 113.70 124.80 2br7 s SER 79 Ca -0.01 2.94 0.32 0.00 0.70 0.00 0.00 55.95 59.91 2br7 s SER 79 Cb 0.01 -2.66 1.79 0.00 -1.71 0.00 0.00 66.02 63.45 2br7 s SER 79 CO -0.07 -0.81 2.20 0.00 1.20 0.00 0.00 173.24 175.76 2br7 h ALA 80 N 3.56 1.29 -0.00 5.45 0.00 -0.71 -2.85 119.26 125.99 2br7 h ALA 80 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2br7 h ALA 80 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2br7 h ALA 80 CO 0.68 0.06 -0.15 0.00 0.00 0.00 0.00 179.25 179.84 2br7 n ALA 81 N -2.24 2.72 -0.73 0.00 0.00 -1.26 -3.09 120.51 115.92 2br7 n ALA 81 Ca -0.02 -0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.31 2br7 n ALA 81 Cb 0.15 -1.36 0.27 0.00 0.00 0.00 0.00 19.45 18.52 2br7 n ALA 81 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2br7 n ASP 82 N -1.42 4.07 -4.24 0.00 5.68 -1.08 -4.89 116.55 114.68 2br7 n ASP 82 Ca 0.08 -2.66 -0.15 0.00 -0.50 0.00 0.00 54.79 51.56 2br7 n ASP 82 Cb 0.33 -0.50 -0.10 0.00 -1.14 0.00 0.00 41.12 39.70 2br7 n ASP 82 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 2br7 s ILE 83 N -2.21 1.16 0.32 2.12 -4.36 -1.18 -4.98 121.20 112.07 2br7 s ILE 83 Ca 0.41 -1.92 -0.28 0.00 -0.26 0.00 0.00 60.65 58.60 2br7 s ILE 83 Cb 0.30 -1.70 -0.09 0.00 1.25 0.00 0.00 42.46 42.22 2br7 s ILE 83 CO 0.14 -0.65 1.07 0.86 0.24 0.00 0.00 174.94 176.60 2br7 s TRP 84 N -2.94 3.50 0.12 1.37 -0.00 -1.26 -4.94 118.94 114.79 2br7 s TRP 84 Ca 0.13 1.70 0.08 0.00 -0.00 0.00 0.00 56.10 58.01 2br7 s TRP 84 Cb 0.00 -3.20 -0.04 0.00 -0.00 0.00 0.00 33.47 30.23 2br7 s TRP 84 CO 0.01 -0.49 -0.20 0.95 -0.00 0.00 0.00 176.95 177.22 2br7 s THR 85 N -1.34 1.74 0.60 5.86 -4.23 -1.26 -5.09 115.64 111.92 2br7 s THR 85 Ca 0.49 -1.63 -0.18 0.00 -1.18 0.00 0.00 61.69 59.19 2br7 s THR 85 Cb -0.28 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 2br7 s THR 85 CO 0.35 -0.12 1.17 -2.84 -0.54 0.00 0.00 174.62 172.65 2br7 s PRO 86 N -2.11 2.98 -0.87 3.99 0.02 -1.26 -4.96 135.00 132.80 2br7 s PRO 86 Ca 0.08 1.70 -0.01 0.00 0.02 0.00 0.00 61.00 62.80 2br7 s PRO 86 Cb -0.09 -1.95 0.34 0.00 0.02 0.00 0.00 34.50 32.83 2br7 s PRO 86 CO 0.05 -1.17 1.85 -0.40 -0.33 0.00 0.00 177.00 177.00 2br7 n ASP 87 N -1.72 7.15 -4.65 2.53 5.75 -1.26 -4.98 116.55 119.37 2br7 n ASP 87 Ca 0.13 -3.77 -0.43 0.00 -0.01 0.00 0.00 54.79 50.70 2br7 n ASP 87 Cb 0.50 -1.04 -0.03 0.00 -1.03 0.00 0.00 41.12 39.53 2br7 n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2br7 s ILE 88 N -4.84 4.68 0.19 2.12 -1.09 -1.26 -2.07 121.20 118.92 2br7 s ILE 88 Ca 0.47 1.79 0.09 0.00 -2.23 0.00 0.00 60.65 60.78 2br7 s ILE 88 Cb 0.35 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 2br7 s ILE 88 CO -0.29 -0.24 -0.19 -0.89 -1.23 0.00 0.00 174.94 172.09 2br7 s THR 89 N 3.23 2.00 0.00 2.92 2.01 0.49 -4.90 115.64 121.39 2br7 s THR 89 Ca 0.42 -2.01 -0.30 0.00 0.31 0.00 0.00 61.69 60.10 2br7 s THR 89 Cb -0.14 -1.97 -0.06 0.00 0.01 0.00 0.00 72.50 70.34 2br7 s THR 89 CO 0.09 -0.30 1.51 0.00 -0.69 0.00 0.00 174.62 175.23 2br7 s ALA 90 N -2.08 3.62 -1.26 7.40 0.00 -1.26 -1.43 121.76 126.76 2br7 s ALA 90 Ca 0.19 0.96 0.21 0.00 0.00 0.00 0.00 51.96 53.32 2br7 s ALA 90 Cb -0.06 -3.65 1.01 0.00 0.00 0.00 0.00 23.12 20.42 2br7 s ALA 90 CO 0.08 -1.06 1.68 0.66 0.00 0.00 0.00 175.76 177.12 2br7 n TYR 91 N 5.80 0.00 -2.03 0.00 4.01 0.50 -3.72 117.16 121.73 2br7 n TYR 91 Ca 0.15 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.93 2br7 n TYR 91 Cb 0.43 -0.37 0.09 0.00 -0.31 0.00 0.00 39.34 39.17 2br7 n TYR 91 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2br7 n SER 92 N -1.37 1.21 -4.73 7.72 3.41 -1.26 -5.01 113.62 113.59 2br7 n SER 92 Ca 0.08 -2.70 -0.35 0.00 -0.26 0.00 0.00 58.87 55.64 2br7 n SER 92 Cb 0.20 -0.37 0.08 0.00 -0.26 0.00 0.00 64.21 63.86 2br7 n SER 92 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2br7 s SER 93 N -2.34 4.46 -0.06 4.04 1.04 -1.24 -2.55 113.70 117.03 2br7 s SER 93 Ca 0.31 2.46 0.09 0.00 0.48 0.00 0.00 55.95 59.29 2br7 s SER 93 Cb 0.32 -2.60 0.14 0.00 0.10 0.00 0.00 66.02 63.98 2br7 s SER 93 CO -0.10 -2.09 1.02 0.35 0.98 0.00 0.00 173.24 173.40 2br7 n THR 94 N -2.29 1.17 -3.64 2.02 -2.24 0.93 -4.89 114.28 105.34 2br7 n THR 94 Ca 0.14 -1.35 -0.10 0.00 -2.27 0.00 0.00 64.05 60.47 2br7 n THR 94 Cb 0.49 0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.85 2br7 n THR 94 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2br7 s ARG 95 N -1.64 0.59 0.18 -0.78 0.52 -1.26 -5.04 118.95 111.53 2br7 s ARG 95 Ca 0.15 0.71 -0.33 0.00 -0.52 0.00 0.00 55.73 55.74 2br7 s ARG 95 Cb 0.13 0.29 -0.14 0.00 0.52 0.00 0.00 34.95 35.75 2br7 s ARG 95 CO 0.01 -0.07 1.53 -2.30 0.02 0.00 0.00 175.30 174.49 2br7 n PRO 96 N 2.35 2.10 -1.71 3.54 -0.02 -1.26 -4.66 135.00 135.34 2br7 n PRO 96 Ca -0.13 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 2br7 n PRO 96 Cb 0.56 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 2br7 n PRO 96 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2br7 n VAL 97 N 2.99 2.44 -3.87 -1.45 3.14 -1.26 -4.93 118.33 115.39 2br7 n VAL 97 Ca 0.16 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.68 2br7 n VAL 97 Cb 0.29 -1.61 -0.12 0.00 -1.06 0.00 0.00 33.84 31.34 2br7 n VAL 97 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2br7 s GLN 98 N -2.16 3.67 -0.22 1.45 -0.21 -0.82 -4.98 119.66 116.39 2br7 s GLN 98 Ca 0.60 -0.48 -0.27 0.00 0.02 0.00 0.00 55.36 55.22 2br7 s GLN 98 Cb -0.51 -3.24 -0.00 0.00 1.00 0.00 0.00 33.01 30.26 2br7 s GLN 98 CO 0.59 -0.09 0.93 0.08 -2.12 0.00 0.00 175.29 174.68 2br7 s VAL 99 N 1.33 4.77 -0.81 1.09 1.01 -1.26 -1.42 120.40 125.10 2br7 s VAL 99 Ca 0.05 1.81 0.21 0.00 0.00 0.00 0.00 61.98 64.05 2br7 s VAL 99 Cb -0.15 -4.22 -0.24 0.00 0.00 0.00 0.00 36.38 31.77 2br7 s VAL 99 CO 0.03 -0.10 0.81 0.18 0.00 0.00 0.00 175.10 176.01 2br7 n LEU 100 N 5.98 0.81 -4.30 3.92 4.32 0.54 -4.98 117.00 123.29 2br7 n LEU 100 Ca 0.08 -0.41 -0.16 0.00 -0.02 0.00 0.00 56.01 55.50 2br7 n LEU 100 Cb 0.47 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.17 2br7 n LEU 100 CO 0.50 0.20 -0.42 -0.94 -1.22 0.00 0.00 177.39 175.51 2br7 s SER 101 N -3.21 2.20 0.51 -1.43 1.04 -1.23 -4.88 113.70 106.70 2br7 s SER 101 Ca 0.05 -1.02 -0.21 0.00 0.48 0.00 0.00 55.95 55.25 2br7 s SER 101 Cb 0.15 -0.07 -0.08 0.00 0.10 0.00 0.00 66.02 66.12 2br7 s SER 101 CO 0.86 -0.26 0.90 -2.65 0.98 0.00 0.00 173.24 173.07 2br7 n PRO 102 N -0.30 1.02 -2.46 4.02 -0.02 -1.26 -4.78 135.00 131.22 2br7 n PRO 102 Ca -0.09 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.34 2br7 n PRO 102 Cb 0.61 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2br7 n PRO 102 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2br7 n GLN 103 N -0.30 3.67 -4.34 -0.52 1.13 -1.26 -4.85 117.38 110.91 2br7 n GLN 103 Ca 0.11 -3.66 -0.24 0.00 -1.94 0.00 0.00 57.00 51.27 2br7 n GLN 103 Cb 0.44 -2.90 -0.17 0.00 0.11 0.00 0.00 30.24 27.72 2br7 n GLN 103 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br7 s ILE 104 N 0.20 0.98 0.32 5.09 1.01 -1.26 0.05 121.20 127.58 2br7 s ILE 104 Ca 0.39 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.75 2br7 s ILE 104 Cb 0.08 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 2br7 s ILE 104 CO 0.01 0.33 0.44 0.00 0.00 0.00 0.00 174.94 175.73 2br7 s ALA 105 N 0.97 4.17 -0.16 9.38 0.00 0.36 -4.71 121.76 131.77 2br7 s ALA 105 Ca -0.09 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.45 2br7 s ALA 105 Cb -0.15 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.33 2br7 s ALA 105 CO 0.00 0.02 -0.21 0.54 0.00 0.00 0.00 175.76 176.11 2br7 s VAL 106 N -2.15 2.11 -0.19 0.00 0.11 -0.41 -0.89 120.40 118.97 2br7 s VAL 106 Ca 0.43 -0.95 -0.06 0.00 -2.93 0.00 0.00 61.98 58.47 2br7 s VAL 106 Cb -0.09 -1.86 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 2br7 s VAL 106 CO 0.31 0.54 0.04 -0.69 -3.33 0.00 0.00 175.10 171.96 2br7 s VAL 107 N 1.04 4.42 -0.01 2.04 1.01 0.11 -0.60 120.40 128.41 2br7 s VAL 107 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2br7 s VAL 107 Cb -0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2br7 s VAL 107 CO -0.07 0.44 0.13 -0.89 0.00 0.00 0.00 175.10 174.71 2br7 s THR 108 N 0.66 5.05 0.62 3.92 2.01 0.16 -0.76 115.64 127.30 2br7 s THR 108 Ca 0.02 -0.29 0.24 0.00 0.31 0.00 0.00 61.69 61.97 2br7 s THR 108 Cb -0.14 -3.33 0.31 0.00 0.01 0.00 0.00 72.50 69.35 2br7 s THR 108 CO 0.02 0.34 1.61 1.12 -0.69 0.00 0.00 174.62 177.02 2br7 h HIS 109 N 3.98 0.00 -0.01 4.92 2.07 0.15 0.21 115.15 126.46 2br7 h HIS 109 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2br7 h HIS 109 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 2br7 h HIS 109 CO 0.66 0.00 -0.05 -0.40 -3.07 0.00 0.00 177.93 175.07 2br7 n ASP 110 N -3.23 1.21 0.00 3.10 5.68 -1.26 -0.63 116.55 121.42 2br7 n ASP 110 Ca 0.09 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 2br7 n ASP 110 Cb 0.88 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.88 2br7 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2br7 n GLY 111 N 1.19 0.49 3.76 6.12 0.00 0.72 -4.76 105.19 112.71 2br7 n GLY 111 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2br7 n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2br7 s SER 112 N -2.98 7.59 0.02 1.61 1.04 -1.20 -0.92 113.70 118.86 2br7 s SER 112 Ca 0.00 1.90 0.05 0.00 0.48 0.00 0.00 55.95 58.38 2br7 s SER 112 Cb 0.00 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 2br7 s SER 112 CO 0.00 0.15 -0.10 -0.69 0.98 0.00 0.00 173.24 173.58 2br7 s VAL 113 N -1.21 3.37 -0.09 5.02 1.01 -0.42 -0.66 120.40 127.41 2br7 s VAL 113 Ca 0.41 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2br7 s VAL 113 Cb -0.25 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.68 2br7 s VAL 113 CO 0.31 0.35 -0.13 -0.32 0.00 0.00 0.00 175.10 175.31 2br7 s MET 114 N -1.49 1.86 -0.08 2.72 1.75 0.23 -2.91 119.30 121.38 2br7 s MET 114 Ca 0.17 -0.44 -0.00 0.00 -1.25 0.00 0.00 55.69 54.17 2br7 s MET 114 Cb -0.11 -1.61 0.02 0.00 2.84 0.00 0.00 34.83 35.98 2br7 s MET 114 CO 0.07 -0.05 -0.05 0.12 -0.65 0.00 0.00 175.02 174.47 2br7 s PHE 115 N 0.95 1.05 -0.55 4.11 5.36 0.07 -1.29 117.98 127.68 2br7 s PHE 115 Ca -0.09 -0.42 0.06 0.00 -0.96 0.00 0.00 56.93 55.52 2br7 s PHE 115 Cb -0.15 -0.96 0.21 0.00 -0.34 0.00 0.00 43.02 41.78 2br7 s PHE 115 CO 0.00 -0.37 0.54 -0.89 -1.46 0.00 0.00 175.22 173.04 2br7 n ILE 116 N 4.77 0.67 -1.91 3.12 5.41 -1.25 -0.44 119.36 129.73 2br7 n ILE 116 Ca -0.13 -4.46 -0.41 0.00 1.00 0.00 0.00 62.75 58.75 2br7 n ILE 116 Cb 0.50 -1.99 -0.02 0.00 -0.71 0.00 0.00 39.64 37.42 2br7 n ILE 116 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2br7 s PRO 117 N -1.37 4.20 -0.06 0.38 0.04 -1.11 -4.72 135.00 132.37 2br7 s PRO 117 Ca 0.33 2.43 -0.13 0.00 0.04 0.00 0.00 61.00 63.67 2br7 s PRO 117 Cb 0.08 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 2br7 s PRO 117 CO -0.12 -0.48 0.34 0.00 0.04 0.00 0.00 177.00 176.78 2br7 s ALA 118 N -0.34 3.71 0.04 8.56 0.00 -1.26 -1.18 121.76 131.28 2br7 s ALA 118 Ca 0.58 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.21 2br7 s ALA 118 Cb -0.44 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 2br7 s ALA 118 CO 0.49 0.42 -0.05 -0.65 0.00 0.00 0.00 175.76 175.98 2br7 s GLN 119 N -0.74 0.48 -0.19 0.00 -0.21 -0.70 -0.34 119.66 117.96 2br7 s GLN 119 Ca 0.21 -0.83 -0.08 0.00 0.02 0.00 0.00 55.36 54.68 2br7 s GLN 119 Cb -0.15 -0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.80 2br7 s GLN 119 CO 0.10 -0.03 0.08 0.50 -2.12 0.00 0.00 175.29 173.82 2br7 s ARG 120 N -2.17 4.03 -0.03 2.91 3.52 -0.51 -1.97 118.95 124.73 2br7 s ARG 120 Ca -0.07 -0.31 0.06 0.00 -0.13 0.00 0.00 55.73 55.27 2br7 s ARG 120 Cb -0.05 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 30.06 2br7 s ARG 120 CO -0.03 0.28 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.38 2br7 s LEU 121 N 0.37 2.00 -0.21 -0.88 2.96 0.51 -1.94 118.68 121.48 2br7 s LEU 121 Ca 0.04 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2br7 s LEU 121 Cb -0.12 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 2br7 s LEU 121 CO -0.00 0.21 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.77 2br7 s SER 122 N -0.25 4.44 0.09 3.68 0.01 -1.26 -0.46 113.70 119.96 2br7 s SER 122 Ca 0.02 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 56.96 2br7 s SER 122 Cb -0.10 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 2br7 s SER 122 CO 0.01 0.00 -0.06 0.72 0.41 0.00 0.00 173.24 174.32 2br7 s PHE 123 N 1.34 0.84 0.05 2.43 -0.71 -0.32 -0.05 117.98 121.57 2br7 s PHE 123 Ca 0.04 -0.89 -0.31 0.00 -1.04 0.00 0.00 56.93 54.73 2br7 s PHE 123 Cb -0.14 -0.50 -0.07 0.00 -1.21 0.00 0.00 43.02 41.10 2br7 s PHE 123 CO -0.01 -0.16 1.55 -1.64 -1.34 0.00 0.00 175.22 173.61 2br7 s MET 124 N -3.66 4.23 -0.30 1.99 -1.94 -1.06 -0.85 119.30 117.72 2br7 s MET 124 Ca 0.10 2.19 -0.13 0.00 -1.71 0.00 0.00 55.69 56.14 2br7 s MET 124 Cb 0.04 -3.56 0.14 0.00 2.01 0.00 0.00 34.83 33.46 2br7 s MET 124 CO -0.05 -0.66 0.78 0.00 -0.01 0.00 0.00 175.02 175.08 2br7 s ASP 126 N 2.52 6.39 0.00 0.00 -1.08 -1.26 -3.79 116.67 119.45 2br7 s ASP 126 Ca -0.06 -0.02 0.20 0.00 -0.52 0.00 0.00 52.55 52.15 2br7 s ASP 126 Cb -0.09 -2.33 0.53 0.00 -1.46 0.00 0.00 42.92 39.57 2br7 s ASP 126 CO -0.18 -0.68 1.44 -0.81 0.52 0.00 0.00 175.17 175.46 2br7 n PRO 127 N 6.17 2.23 -1.68 4.34 -0.04 -1.26 -4.80 135.00 139.95 2br7 n PRO 127 Ca -0.01 -1.88 -0.58 0.00 -0.04 0.00 0.00 63.50 60.99 2br7 n PRO 127 Cb 0.48 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 2br7 n PRO 127 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2br7 n THR 128 N 1.06 0.19 -0.03 0.52 -1.04 -1.26 -0.46 114.28 113.26 2br7 n THR 128 Ca 0.18 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 2br7 n THR 128 Cb 0.48 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 2br7 n THR 128 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2br7 n GLY 129 N 3.72 0.57 0.22 3.41 0.00 -1.26 -4.80 105.19 107.06 2br7 n GLY 129 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 2br7 n GLY 129 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2br7 h VAL 130 N 0.00 0.78 -0.81 1.61 3.04 -0.97 -3.08 116.25 116.82 2br7 h VAL 130 Ca 0.00 -0.99 -0.46 0.00 -1.01 0.00 0.00 66.70 64.24 2br7 h VAL 130 Cb 0.00 1.61 -0.18 0.00 -2.01 0.00 0.00 31.29 30.71 2br7 h VAL 130 CO 0.00 0.24 0.52 -0.90 -1.01 0.00 0.00 177.57 176.42 2br7 n ASP 131 N -3.67 6.75 -3.64 3.17 5.75 -1.26 -1.62 116.55 122.02 2br7 n ASP 131 Ca -0.01 -3.27 -0.16 0.00 -0.01 0.00 0.00 54.79 51.34 2br7 n ASP 131 Cb 0.36 -1.09 -0.07 0.00 -1.03 0.00 0.00 41.12 39.28 2br7 n ASP 131 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2br7 s SER 132 N -0.19 -0.42 0.44 -1.12 1.04 -1.22 -5.03 113.70 107.19 2br7 s SER 132 Ca 0.46 0.42 0.19 0.00 0.48 0.00 0.00 55.95 57.50 2br7 s SER 132 Cb 0.34 0.44 1.15 0.00 0.10 0.00 0.00 66.02 68.05 2br7 s SER 132 CO -0.09 -0.52 1.88 -0.08 0.98 0.00 0.00 173.24 175.42 2br7 h GLU 133 N 3.50 0.32 -0.43 4.02 4.81 -1.90 0.20 114.58 125.11 2br7 h GLU 133 Ca -0.28 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.98 2br7 h GLU 133 Cb 1.16 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.38 2br7 h GLU 133 CO 0.39 0.21 -0.56 0.93 -0.73 0.00 0.00 179.01 179.25 2br7 h GLU 134 N 0.33 -0.38 0.00 1.92 4.39 -1.95 -3.49 114.58 115.40 2br7 h GLU 134 Ca 0.43 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.16 2br7 h GLU 134 Cb 1.17 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2br7 h GLU 134 CO -0.14 -0.25 0.00 0.41 -1.16 0.00 0.00 179.01 177.87 2br7 n GLY 135 N -1.37 -1.81 3.22 -3.84 0.00 0.06 -4.93 105.19 96.51 2br7 n GLY 135 Ca -0.03 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 2br7 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2br7 s VAL 136 N 0.00 0.11 0.04 1.61 0.11 0.04 -4.39 120.40 117.91 2br7 s VAL 136 Ca 0.00 -1.57 0.09 0.00 -2.93 0.00 0.00 61.98 57.57 2br7 s VAL 136 Cb 0.00 -1.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.04 2br7 s VAL 136 CO 0.00 -0.50 -0.26 -0.89 -3.33 0.00 0.00 175.10 170.12 2br7 s THR 137 N -3.97 2.13 0.14 5.04 2.01 -1.26 -0.47 115.64 119.26 2br7 s THR 137 Ca 0.16 -1.36 -0.01 0.00 0.31 0.00 0.00 61.69 60.79 2br7 s THR 137 Cb 0.05 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2br7 s THR 137 CO -0.03 0.39 0.06 0.00 -0.69 0.00 0.00 174.62 174.35 2br7 s ALA 139 N -4.03 -0.92 -0.10 0.00 0.00 -1.26 -0.66 121.76 114.79 2br7 s ALA 139 Ca 0.25 1.14 -0.04 0.00 0.00 0.00 0.00 51.96 53.32 2br7 s ALA 139 Cb 0.07 -0.68 0.05 0.00 0.00 0.00 0.00 23.12 22.57 2br7 s ALA 139 CO 0.03 -0.20 0.20 0.54 0.00 0.00 0.00 175.76 176.33 2br7 s VAL 140 N 0.51 -0.21 -0.08 0.00 0.11 -0.91 -4.88 120.40 114.94 2br7 s VAL 140 Ca -0.03 0.26 -0.24 0.00 -2.93 0.00 0.00 61.98 59.04 2br7 s VAL 140 Cb -0.04 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 2br7 s VAL 140 CO -0.03 0.11 0.75 -0.54 -3.33 0.00 0.00 175.10 172.06 2br7 s LYS 141 N 1.87 4.43 -0.13 1.54 1.02 -1.26 0.26 119.74 127.47 2br7 s LYS 141 Ca -0.03 0.96 -0.06 0.00 0.02 0.00 0.00 55.97 56.86 2br7 s LYS 141 Cb -0.12 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 2br7 s LYS 141 CO -0.07 -0.01 0.09 -0.06 -0.92 0.00 0.00 175.35 174.38 2br7 s PHE 142 N 1.05 3.42 0.31 3.18 0.40 0.37 -0.37 117.98 126.34 2br7 s PHE 142 Ca 0.39 0.36 -0.20 0.00 -0.60 0.00 0.00 56.93 56.88 2br7 s PHE 142 Cb -0.18 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.43 2br7 s PHE 142 CO 0.18 0.54 0.74 0.20 0.70 0.00 0.00 175.22 177.58 2br7 s GLY 143 N -0.64 0.03 0.44 4.36 0.00 -0.51 0.13 107.32 111.13 2br7 s GLY 143 Ca 0.12 -0.42 -0.23 0.00 0.00 0.00 0.00 44.72 44.19 2br7 s GLY 143 CO 0.02 -0.15 1.14 -0.45 0.00 0.00 0.00 173.10 173.67 2br7 s SER 144 N -2.96 6.32 -0.06 1.64 0.15 -1.26 -0.38 113.70 117.15 2br7 s SER 144 Ca 0.12 2.24 -0.20 0.00 0.70 0.00 0.00 55.95 58.82 2br7 s SER 144 Cb -0.06 -2.60 -0.30 0.00 -1.71 0.00 0.00 66.02 61.35 2br7 s SER 144 CO 0.08 -0.81 0.79 -0.25 1.20 0.00 0.00 173.24 174.26 2br7 h TRP 145 N 2.18 0.53 0.00 3.44 2.91 -1.77 -3.41 115.95 119.82 2br7 h TRP 145 Ca -0.49 -0.38 0.00 0.00 1.13 0.00 0.00 58.89 59.15 2br7 h TRP 145 Cb 1.24 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.87 2br7 h TRP 145 CO 0.54 1.39 -1.30 1.33 -1.03 0.00 0.00 178.44 179.37 2br7 n VAL 146 N -4.06 0.00 -3.57 2.65 0.24 -1.26 -5.03 118.33 107.30 2br7 n VAL 146 Ca -0.17 -0.26 -0.37 0.00 -2.04 0.00 0.00 64.34 61.50 2br7 n VAL 146 Cb 0.85 0.41 -0.06 0.00 -1.47 0.00 0.00 33.84 33.58 2br7 n VAL 146 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2br7 s TYR 147 N -2.64 3.66 0.83 6.34 2.02 -1.26 -5.10 117.35 121.20 2br7 s TYR 147 Ca -0.02 0.87 -0.12 0.00 -0.37 0.00 0.00 57.07 57.43 2br7 s TYR 147 Cb 0.08 -2.21 0.19 0.00 -0.40 0.00 0.00 41.96 39.62 2br7 s TYR 147 CO 0.48 0.61 1.13 -1.13 -1.57 0.00 0.00 175.55 175.07 2br7 n SER 148 N 1.50 0.33 -1.19 2.29 3.41 -1.26 -4.74 113.62 113.97 2br7 n SER 148 Ca -0.12 -1.56 -0.03 0.00 -0.26 0.00 0.00 58.87 56.90 2br7 n SER 148 Cb 0.53 -0.84 0.09 0.00 -0.26 0.00 0.00 64.21 63.73 2br7 n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2br7 n GLY 149 N -2.61 2.41 0.00 5.00 0.00 0.30 -2.08 105.19 108.22 2br7 n GLY 149 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2br7 n GLY 149 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2br7 n PHE 150 N 0.08 0.00 -0.01 1.61 3.72 -1.26 -4.74 117.46 116.87 2br7 n PHE 150 Ca 0.14 -0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.54 2br7 n PHE 150 Cb 0.73 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.26 2br7 n PHE 150 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2br7 n GLU 151 N -0.00 0.03 -4.00 -1.08 1.02 -1.14 -4.43 120.64 111.04 2br7 n GLU 151 Ca 0.00 0.01 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 2br7 n GLU 151 Cb 0.07 -0.98 -0.16 0.00 -0.02 0.00 0.00 31.44 30.35 2br7 n GLU 151 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2br7 s ILE 152 N -2.02 0.27 -0.21 -3.67 1.01 -0.88 -2.34 121.20 113.35 2br7 s ILE 152 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.67 2br7 s ILE 152 Cb 0.00 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 42.17 2br7 s ILE 152 CO 0.02 0.16 -0.16 -0.62 0.00 0.00 0.00 174.94 174.34 2br7 s ASP 153 N 0.90 3.61 0.42 3.58 2.15 0.18 -3.90 116.67 123.60 2br7 s ASP 153 Ca -0.10 -0.92 -0.22 0.00 0.43 0.00 0.00 52.55 51.74 2br7 s ASP 153 Cb -0.13 -1.50 -0.11 0.00 -0.30 0.00 0.00 42.92 40.89 2br7 s ASP 153 CO -0.01 -0.07 0.96 -0.76 -0.17 0.00 0.00 175.17 175.11 2br7 s LEU 154 N 1.23 4.00 0.02 -1.34 1.02 -1.26 -1.23 118.68 121.12 2br7 s LEU 154 Ca -0.00 1.74 -0.21 0.00 0.02 0.00 0.00 54.13 55.68 2br7 s LEU 154 Cb -0.16 -4.45 0.04 0.00 0.02 0.00 0.00 46.19 41.65 2br7 s LEU 154 CO -0.10 -0.35 0.47 -0.75 0.02 0.00 0.00 176.35 175.64 2br7 s LYS 155 N -2.99 0.94 0.14 1.70 2.20 -0.80 -4.92 119.74 116.00 2br7 s LYS 155 Ca 0.60 -0.21 0.09 0.00 -0.36 0.00 0.00 55.97 56.09 2br7 s LYS 155 Cb -0.11 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 2br7 s LYS 155 CO 0.15 -0.32 -0.21 0.95 -0.36 0.00 0.00 175.35 175.57 2br7 s THR 156 N -2.11 1.87 0.27 3.43 -4.23 -1.26 -0.36 115.64 113.24 2br7 s THR 156 Ca -0.07 -1.77 0.09 0.00 -1.18 0.00 0.00 61.69 58.76 2br7 s THR 156 Cb -0.01 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.03 2br7 s THR 156 CO 0.01 -0.16 1.60 0.44 -0.54 0.00 0.00 174.62 175.97 2br7 h ASP 157 N 3.63 0.05 -4.68 3.99 3.32 -1.97 -3.47 116.42 117.28 2br7 h ASP 157 Ca -0.45 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 56.64 2br7 h ASP 157 Cb 1.19 -0.02 -0.16 0.00 0.22 0.00 0.00 39.33 40.57 2br7 h ASP 157 CO 0.45 0.65 0.42 0.28 -1.72 0.00 0.00 179.24 179.32 2br7 s THR 158 N -3.65 0.00 -0.28 0.35 -1.32 -1.26 -5.07 115.64 104.41 2br7 s THR 158 Ca -0.02 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.62 2br7 s THR 158 Cb 0.13 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.57 2br7 s THR 158 CO 0.77 0.00 1.35 -0.90 -2.21 0.00 0.00 174.62 173.63 2br7 n ASP 159 N -0.07 3.49 -4.58 8.08 5.68 -1.26 -4.82 116.55 123.06 2br7 n ASP 159 Ca -0.11 -2.84 -0.42 0.00 -0.50 0.00 0.00 54.79 50.92 2br7 n ASP 159 Cb 0.62 -0.47 -0.06 0.00 -1.14 0.00 0.00 41.12 40.08 2br7 n ASP 159 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2br7 s GLN 160 N -2.50 3.74 0.44 0.11 -1.52 -1.26 -1.85 119.66 116.82 2br7 s GLN 160 Ca 0.37 0.25 -0.25 0.00 -1.95 0.00 0.00 55.36 53.77 2br7 s GLN 160 Cb 0.29 -3.81 -0.08 0.00 -0.22 0.00 0.00 33.01 29.19 2br7 s GLN 160 CO 0.09 -0.82 1.38 0.08 -0.25 0.00 0.00 175.29 175.78 2br7 s VAL 161 N 2.99 2.26 -0.50 1.09 1.01 -0.98 -4.91 120.40 121.36 2br7 s VAL 161 Ca 0.29 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 2br7 s VAL 161 Cb -0.14 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.14 2br7 s VAL 161 CO 0.16 0.03 1.15 -0.62 0.00 0.00 0.00 175.10 175.82 2br7 s ASP 162 N -0.61 6.59 0.00 3.32 -1.08 -1.04 -4.80 116.67 119.06 2br7 s ASP 162 Ca 0.60 0.39 0.11 0.00 -0.52 0.00 0.00 52.55 53.13 2br7 s ASP 162 Cb -0.42 -2.55 0.14 0.00 -1.46 0.00 0.00 42.92 38.64 2br7 s ASP 162 CO 0.53 -1.30 0.95 0.18 0.52 0.00 0.00 175.17 176.06 2br7 n LEU 163 N 7.95 2.18 0.00 -1.34 4.77 -1.26 -2.03 117.00 127.27 2br7 n LEU 163 Ca 0.11 -1.25 0.08 0.00 -0.03 0.00 0.00 56.01 54.92 2br7 n LEU 163 Cb 0.49 -0.06 0.42 0.00 -2.33 0.00 0.00 43.42 41.94 2br7 n LEU 163 CO 0.72 0.46 0.70 -1.54 -1.33 0.00 0.00 177.39 176.40 2br7 n SER 164 N 0.60 0.00 -2.03 -1.43 3.41 -1.26 -1.63 113.62 111.28 2br7 n SER 164 Ca 0.08 -0.14 -0.02 0.00 -0.26 0.00 0.00 58.87 58.53 2br7 n SER 164 Cb 0.32 -0.18 0.06 0.00 -0.26 0.00 0.00 64.21 64.14 2br7 n SER 164 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2br7 n SER 165 N -1.18 1.95 -4.74 4.04 3.41 -1.26 -5.08 113.62 110.75 2br7 n SER 165 Ca 0.09 -2.52 -0.40 0.00 -0.26 0.00 0.00 58.87 55.78 2br7 n SER 165 Cb 0.10 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.59 2br7 n SER 165 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2br7 s TYR 166 N -2.54 3.82 -0.28 7.33 5.04 -0.65 -4.72 117.35 125.36 2br7 s TYR 166 Ca 0.34 1.69 -0.37 0.00 -2.44 0.00 0.00 57.07 56.29 2br7 s TYR 166 Cb 0.36 -2.93 -0.13 0.00 0.35 0.00 0.00 41.96 39.60 2br7 s TYR 166 CO -0.07 0.30 1.96 0.98 -1.34 0.00 0.00 175.55 177.37 2br7 n TYR 167 N 2.49 1.91 0.29 4.97 9.36 0.20 -4.85 117.16 131.53 2br7 n TYR 167 Ca -0.01 0.34 0.17 0.00 3.32 0.00 0.00 57.90 61.72 2br7 n TYR 167 Cb 0.49 -2.52 0.80 0.00 -0.63 0.00 0.00 39.34 37.48 2br7 n TYR 167 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2br7 h ALA 168 N 9.67 1.04 -0.34 2.98 0.00 -1.92 -2.71 119.26 127.98 2br7 h ALA 168 Ca -0.38 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2br7 h ALA 168 Cb 1.31 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2br7 h ALA 168 CO 0.99 0.04 0.02 0.43 0.00 0.00 0.00 179.25 180.73 2br7 n SER 169 N -3.19 3.83 -4.75 0.00 7.64 -1.26 -5.02 113.62 110.88 2br7 n SER 169 Ca -0.01 -3.16 -0.39 0.00 1.01 0.00 0.00 58.87 56.33 2br7 n SER 169 Cb 0.25 -0.59 0.04 0.00 -1.01 0.00 0.00 64.21 62.91 2br7 n SER 169 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2br7 s SER 170 N -1.90 5.25 0.48 6.43 0.15 -1.02 -4.87 113.70 118.22 2br7 s SER 170 Ca 0.44 2.80 0.33 0.00 0.70 0.00 0.00 55.95 60.22 2br7 s SER 170 Cb 0.37 -2.64 1.63 0.00 -1.71 0.00 0.00 66.02 63.66 2br7 s SER 170 CO 0.08 -1.59 1.99 0.11 1.20 0.00 0.00 173.24 175.03 2br7 h LYS 171 N 1.48 0.00 -4.87 5.44 1.57 -1.91 -3.42 116.57 114.86 2br7 h LYS 171 Ca -0.51 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.62 2br7 h LYS 171 Cb 1.30 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.25 2br7 h LYS 171 CO 0.57 0.00 -0.84 0.71 -0.57 0.00 0.00 179.45 179.32 2br7 s TYR 172 N -3.74 2.64 0.00 -1.35 2.02 -1.26 0.55 117.35 116.20 2br7 s TYR 172 Ca -0.01 -1.62 -0.25 0.00 -0.37 0.00 0.00 57.07 54.81 2br7 s TYR 172 Cb 0.10 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 2br7 s TYR 172 CO 0.37 -0.77 0.79 -1.21 -1.57 0.00 0.00 175.55 173.16 2br7 s GLU 173 N 1.33 4.49 -0.08 -0.62 2.02 0.34 -4.72 118.70 121.46 2br7 s GLU 173 Ca 0.02 1.08 -0.24 0.00 0.02 0.00 0.00 54.97 55.85 2br7 s GLU 173 Cb -0.14 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 2br7 s GLU 173 CO -0.11 0.15 0.76 0.42 0.02 0.00 0.00 175.26 176.50 2br7 s ILE 174 N 0.43 4.99 -0.10 -1.63 -1.09 -1.26 -1.30 121.20 121.24 2br7 s ILE 174 Ca 0.41 1.55 -0.20 0.00 -2.23 0.00 0.00 60.65 60.17 2br7 s ILE 174 Cb -0.20 -4.09 -0.28 0.00 -1.58 0.00 0.00 42.46 36.32 2br7 s ILE 174 CO 0.22 0.19 0.67 -0.07 -1.23 0.00 0.00 174.94 174.73 2br7 h LEU 175 N 7.13 0.32 -7.00 2.97 3.38 -1.04 -3.49 115.31 117.58 2br7 h LEU 175 Ca -0.38 -0.88 -0.02 0.00 0.09 0.00 0.00 57.88 56.69 2br7 h LEU 175 Cb 1.18 -0.10 -0.20 0.00 0.09 0.00 0.00 40.66 41.63 2br7 h LEU 175 CO 0.77 1.44 0.29 -0.94 0.09 0.00 0.00 178.44 180.09 2br7 s SER 176 N -6.88 -0.58 -0.05 -0.43 1.04 -0.92 -5.00 113.70 100.88 2br7 s SER 176 Ca -0.18 0.69 -0.01 0.00 0.48 0.00 0.00 55.95 56.93 2br7 s SER 176 Cb 0.02 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.72 2br7 s SER 176 CO 0.76 -0.50 0.00 0.00 0.98 0.00 0.00 173.24 174.49 2br7 s ALA 177 N -1.01 0.53 0.08 5.32 0.00 -1.26 -0.69 121.76 124.73 2br7 s ALA 177 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 51.96 51.95 2br7 s ALA 177 Cb -0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2br7 s ALA 177 CO 0.07 -0.32 -0.11 -0.08 0.00 0.00 0.00 175.76 175.33 2br7 s THR 178 N 1.64 3.34 -0.40 0.00 -1.32 0.16 -2.32 115.64 116.75 2br7 s THR 178 Ca -0.01 -1.18 0.01 0.00 -1.21 0.00 0.00 61.69 59.30 2br7 s THR 178 Cb -0.13 -2.53 0.13 0.00 -1.51 0.00 0.00 72.50 68.46 2br7 s THR 178 CO -0.03 0.18 0.20 0.00 -2.21 0.00 0.00 174.62 172.76 2br7 s GLN 179 N -1.99 1.09 -0.14 7.08 -2.07 -0.77 -1.53 119.66 121.32 2br7 s GLN 179 Ca 0.20 -1.73 -0.07 0.00 -1.82 0.00 0.00 55.36 51.93 2br7 s GLN 179 Cb -0.11 -2.16 -0.04 0.00 -1.09 0.00 0.00 33.01 29.61 2br7 s GLN 179 CO 0.12 -1.13 0.12 0.95 -1.32 0.00 0.00 175.29 174.03 2br7 s THR 180 N 0.70 5.35 -0.32 3.63 -4.23 -1.01 -4.32 115.64 115.44 2br7 s THR 180 Ca 0.16 0.15 -0.29 0.00 -1.18 0.00 0.00 61.69 60.53 2br7 s THR 180 Cb -0.23 -3.35 0.01 0.00 1.34 0.00 0.00 72.50 70.27 2br7 s THR 180 CO -0.05 0.57 1.14 -0.60 -0.54 0.00 0.00 174.62 175.15 2br7 s ARG 181 N -0.63 4.02 -0.18 3.99 3.52 -1.26 -1.53 118.95 126.87 2br7 s ARG 181 Ca 0.13 1.12 -0.09 0.00 -0.13 0.00 0.00 55.73 56.76 2br7 s ARG 181 Cb -0.12 -3.78 -0.05 0.00 -1.56 0.00 0.00 34.95 29.45 2br7 s ARG 181 CO 0.02 -0.97 0.10 -0.65 -0.81 0.00 0.00 175.30 173.00 2br7 s GLN 182 N 3.81 4.03 -0.12 5.12 -0.21 0.13 -4.98 119.66 127.45 2br7 s GLN 182 Ca 0.49 -0.26 0.02 0.00 0.02 0.00 0.00 55.36 55.63 2br7 s GLN 182 Cb -0.13 -3.32 -0.00 0.00 1.00 0.00 0.00 33.01 30.55 2br7 s GLN 182 CO 0.18 0.34 -0.19 0.54 -2.12 0.00 0.00 175.29 174.04 2br7 s VAL 183 N 0.22 2.44 -0.04 1.09 0.11 -1.26 -1.06 120.40 121.90 2br7 s VAL 183 Ca 0.07 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 2br7 s VAL 183 Cb -0.12 -1.98 0.01 0.00 -1.53 0.00 0.00 36.38 32.77 2br7 s VAL 183 CO -0.01 0.54 -0.07 0.00 -3.33 0.00 0.00 175.10 172.23 2br7 s GLN 184 N 0.44 0.98 -0.04 1.54 -2.07 -0.52 -5.00 119.66 114.98 2br7 s GLN 184 Ca -0.14 -0.22 0.00 0.00 -1.82 0.00 0.00 55.36 53.18 2br7 s GLN 184 Cb -0.17 -0.92 0.03 0.00 -1.09 0.00 0.00 33.01 30.86 2br7 s GLN 184 CO 0.06 0.01 -0.01 -1.58 -1.32 0.00 0.00 175.29 172.45 2br7 s HIS 185 N 0.57 0.54 0.24 9.60 5.65 -1.26 0.87 115.29 131.51 2br7 s HIS 185 Ca -0.09 -0.10 0.06 0.00 0.25 0.00 0.00 55.06 55.18 2br7 s HIS 185 Cb -0.12 -0.59 -0.03 0.00 -1.18 0.00 0.00 32.58 30.65 2br7 s HIS 185 CO 0.01 -0.20 0.23 0.71 -0.65 0.00 0.00 174.74 174.84 2br7 s TYR 186 N 1.24 3.19 0.03 3.88 2.02 -1.26 -5.03 117.35 121.42 2br7 s TYR 186 Ca -0.06 -0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 56.48 2br7 s TYR 186 Cb -0.13 -1.45 -0.02 0.00 -0.40 0.00 0.00 41.96 39.96 2br7 s TYR 186 CO -0.02 0.50 1.12 1.03 -1.57 0.00 0.00 175.55 176.62 2br7 h SER 187 N 1.49 -0.42 -1.13 2.29 0.87 -2.02 -2.40 113.55 112.24 2br7 h SER 187 Ca -0.49 0.06 0.33 0.00 -1.23 0.00 0.00 61.79 60.45 2br7 h SER 187 Cb 1.23 0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 63.32 2br7 h SER 187 CO 0.61 -0.09 0.93 0.00 -0.53 0.00 0.00 176.83 177.76 2br7 n PRO 190 N 4.48 0.43 -4.95 0.00 -0.04 -1.26 -4.23 135.00 129.44 2br7 n PRO 190 Ca -0.14 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.06 2br7 n PRO 190 Cb 0.42 -1.28 -0.15 0.00 -0.04 0.00 0.00 33.50 32.45 2br7 n PRO 190 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2br7 s GLU 191 N 0.46 1.61 -0.06 0.54 0.41 -1.26 -5.02 118.70 115.37 2br7 s GLU 191 Ca 0.00 -0.75 -0.12 0.00 -0.41 0.00 0.00 54.97 53.69 2br7 s GLU 191 Cb 0.00 -1.58 -0.05 0.00 -1.78 0.00 0.00 34.13 30.72 2br7 s GLU 191 CO 0.00 0.43 0.30 -1.25 -0.49 0.00 0.00 175.26 174.25 2br7 s PRO 192 N -0.57 3.76 -0.15 0.39 0.04 -1.26 -4.08 135.00 133.14 2br7 s PRO 192 Ca 0.08 0.18 -0.03 0.00 0.04 0.00 0.00 61.00 61.27 2br7 s PRO 192 Cb -0.08 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 2br7 s PRO 192 CO -0.00 0.69 -0.07 0.71 0.04 0.00 0.00 177.00 178.37 2br7 s TYR 193 N -0.93 2.95 0.03 0.56 1.51 0.25 0.11 117.35 121.84 2br7 s TYR 193 Ca 0.20 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.85 2br7 s TYR 193 Cb -0.15 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 2br7 s TYR 193 CO 0.09 -0.13 -0.11 0.96 -1.11 0.00 0.00 175.55 175.25 2br7 s ILE 194 N 0.45 0.88 0.05 2.71 -5.25 -1.26 -1.43 121.20 117.34 2br7 s ILE 194 Ca -0.06 -0.85 -0.11 0.00 -0.99 0.00 0.00 60.65 58.64 2br7 s ILE 194 Cb -0.15 -0.81 0.01 0.00 2.95 0.00 0.00 42.46 44.46 2br7 s ILE 194 CO 0.03 -0.03 0.24 1.51 -1.79 0.00 0.00 174.94 174.90 2br7 s ASP 195 N -1.00 -0.01 -0.32 4.36 -4.77 -0.23 -4.46 116.67 110.24 2br7 s ASP 195 Ca -0.00 -0.36 -0.11 0.00 -3.30 0.00 0.00 52.55 48.78 2br7 s ASP 195 Cb -0.07 0.33 -0.01 0.00 -1.09 0.00 0.00 42.92 42.08 2br7 s ASP 195 CO 0.01 -0.62 0.18 -0.69 0.70 0.00 0.00 175.17 174.75 2br7 s VAL 196 N -2.87 4.87 -0.26 2.11 1.01 0.12 0.22 120.40 125.59 2br7 s VAL 196 Ca -0.03 -0.33 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 2br7 s VAL 196 Cb 0.00 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 2br7 s VAL 196 CO -0.05 0.05 0.81 0.21 0.00 0.00 0.00 175.10 176.11 2br7 s ASN 197 N 1.66 6.78 -0.59 3.32 2.47 -0.58 -0.48 114.94 127.52 2br7 s ASN 197 Ca 0.05 0.94 -0.18 0.00 0.42 0.00 0.00 52.86 54.09 2br7 s ASN 197 Cb -0.17 -2.42 0.12 0.00 -1.45 0.00 0.00 41.25 37.32 2br7 s ASN 197 CO 0.08 -0.53 0.64 -0.22 -3.72 0.00 0.00 177.10 173.35 2br7 s LEU 198 N 2.85 5.77 -0.26 3.21 2.96 0.14 -2.40 118.68 130.95 2br7 s LEU 198 Ca 0.34 -1.65 -0.10 0.00 -0.22 0.00 0.00 54.13 52.49 2br7 s LEU 198 Cb -0.15 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 2br7 s LEU 198 CO 0.09 -0.99 0.16 -0.69 -1.32 0.00 0.00 176.35 173.60 2br7 s VAL 199 N 2.13 5.13 -0.08 1.68 1.01 -0.58 -2.14 120.40 127.55 2br7 s VAL 199 Ca 0.09 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.22 2br7 s VAL 199 Cb -0.25 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2br7 s VAL 199 CO 0.04 0.29 -0.22 0.68 0.00 0.00 0.00 175.10 175.89 2br7 s VAL 200 N 1.57 2.34 -0.15 2.92 -7.23 0.16 0.40 120.40 120.41 2br7 s VAL 200 Ca 0.07 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 2br7 s VAL 200 Cb -0.15 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.90 2br7 s VAL 200 CO 0.08 0.56 -0.17 -0.75 -0.31 0.00 0.00 175.10 174.52 2br7 s LYS 201 N -0.07 3.16 0.15 4.82 2.20 0.13 0.79 119.74 130.93 2br7 s LYS 201 Ca -0.06 -0.78 -0.14 0.00 -0.36 0.00 0.00 55.97 54.64 2br7 s LYS 201 Cb -0.14 -2.58 0.02 0.00 -1.51 0.00 0.00 37.83 33.61 2br7 s LYS 201 CO 0.04 -0.01 0.39 -0.59 -0.36 0.00 0.00 175.35 174.83 2br7 s PHE 202 N 0.85 0.01 0.26 4.03 -0.71 0.38 -0.34 117.98 122.46 2br7 s PHE 202 Ca -0.05 -0.36 -0.00 0.00 -1.04 0.00 0.00 56.93 55.48 2br7 s PHE 202 Cb -0.15 0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.83 2br7 s PHE 202 CO -0.01 -0.76 0.27 -0.98 -1.34 0.00 0.00 175.22 172.39 2br7 s ARG 203 N -3.87 1.50 0.37 1.99 1.70 -0.42 -0.78 118.95 119.44 2br7 s ARG 203 Ca 0.09 -1.71 -0.25 0.00 -0.47 0.00 0.00 55.73 53.39 2br7 s ARG 203 Cb 0.02 0.34 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 2br7 s ARG 203 CO -0.06 -0.55 1.03 -1.21 -1.08 0.00 0.00 175.30 173.43 2br7 s GLU 204 N -3.78 4.30 0.00 3.89 2.02 -0.64 -0.51 118.70 123.99 2br7 s GLU 204 Ca 0.36 1.49 0.16 0.00 0.02 0.00 0.00 54.97 57.00 2br7 s GLU 204 Cb 0.04 -2.65 0.94 0.00 0.10 0.00 0.00 34.13 32.56 2br7 s GLU 204 CO 0.17 -0.01 1.36 2.89 0.02 0.00 0.00 175.26 179.69