#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br7 h ALA 2 N 0.00 -1.05 -0.42 -1.58 0.00 -2.04 -2.98 119.26 111.20 2br7 h ALA 2 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2br7 h ALA 2 Cb 0.00 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 2br7 h ALA 2 CO 0.00 -1.08 -0.12 -0.91 0.00 0.00 0.00 179.25 177.14 2br7 h ASN 3 N -0.76 -0.43 -0.33 0.00 2.35 -1.99 -1.62 115.58 112.80 2br7 h ASN 3 Ca -0.05 0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.91 2br7 h ASN 3 Cb 0.66 0.27 -0.07 0.00 0.05 0.00 0.00 38.32 39.24 2br7 h ASN 3 CO -0.06 -0.15 -0.15 0.25 -1.65 0.00 0.00 177.43 175.67 2br7 h LEU 4 N -0.02 -0.51 -0.23 1.61 5.85 -1.87 0.17 115.31 120.31 2br7 h LEU 4 Ca 0.20 0.12 0.06 0.00 0.84 0.00 0.00 57.88 59.11 2br7 h LEU 4 Cb 0.33 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 2br7 h LEU 4 CO -0.44 -0.18 -0.24 0.24 -0.34 0.00 0.00 178.44 177.48 2br7 h MET 5 N -0.09 -0.24 -0.92 1.25 2.86 -1.32 0.55 114.93 117.02 2br7 h MET 5 Ca 0.17 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.91 2br7 h MET 5 Cb 0.35 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.99 2br7 h MET 5 CO -0.39 -0.16 0.56 -0.09 1.06 0.00 0.00 176.91 177.89 2br7 h ARG 6 N -0.25 0.94 -0.02 1.72 2.43 -0.59 0.01 114.38 118.62 2br7 h ARG 6 Ca 0.13 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2br7 h ARG 6 Cb 0.45 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2br7 h ARG 6 CO -0.38 0.62 -0.02 1.25 -1.51 0.00 0.00 179.97 179.94 2br7 h LEU 7 N 0.97 0.05 -0.70 3.80 5.85 0.53 -1.13 115.31 124.68 2br7 h LEU 7 Ca 0.42 -0.46 0.10 0.00 0.84 0.00 0.00 57.88 58.79 2br7 h LEU 7 Cb 0.30 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 2br7 h LEU 7 CO -0.22 0.50 0.32 0.11 -0.34 0.00 0.00 178.44 178.82 2br7 h LYS 8 N -0.40 0.52 -0.34 1.25 1.57 0.31 -0.83 116.57 118.67 2br7 h LYS 8 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2br7 h LYS 8 Cb 0.48 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2br7 h LYS 8 CO 0.00 0.35 0.12 1.03 -0.57 0.00 0.00 179.45 180.38 2br7 h SER 9 N 0.54 0.48 -0.95 0.86 0.87 -0.94 -2.12 113.55 112.29 2br7 h SER 9 Ca 0.35 -0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.78 2br7 h SER 9 Cb 0.41 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 2br7 h SER 9 CO -0.30 0.54 0.62 0.44 -0.53 0.00 0.00 176.83 177.60 2br7 h ASP 10 N 0.39 0.98 0.81 6.23 3.32 -0.51 -0.79 116.42 126.85 2br7 h ASP 10 Ca 0.11 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.92 2br7 h ASP 10 Cb 0.22 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2br7 h ASP 10 CO -0.01 0.64 -1.18 -0.07 -1.72 0.00 0.00 179.24 176.90 2br7 h LEU 11 N 1.12 0.14 -0.62 1.55 3.38 -0.96 -3.21 115.31 116.70 2br7 h LEU 11 Ca 0.41 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2br7 h LEU 11 Cb 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2br7 h LEU 11 CO -0.15 1.13 -0.22 0.49 0.09 0.00 0.00 178.44 179.77 2br7 n PHE 12 N -3.37 0.00 0.00 1.13 3.72 -0.81 -4.65 117.46 113.48 2br7 n PHE 12 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2br7 n PHE 12 Cb 0.98 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 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 -0.42 1.87 -0.17 4.37 5.03 -0.33 -4.74 115.26 120.86 2br7 n ASN 13 Ca 0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.48 2br7 n ASN 13 Cb 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 2br7 n ASN 13 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2br7 n ARG 14 N -2.36 0.39 0.00 3.52 3.00 -1.01 -4.69 116.66 115.51 2br7 n ARG 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2br7 n ARG 14 Cb 0.33 -1.07 0.00 0.00 0.00 0.00 0.00 32.46 31.72 2br7 n ARG 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2br7 n SER 15 N -0.22 0.00 -3.38 6.15 2.88 -1.26 -4.99 113.62 112.80 2br7 n SER 15 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 2br7 n SER 15 Cb 0.03 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.67 2br7 n SER 15 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2br7 n PRO 16 N -0.11 -1.83 -2.28 -1.46 -0.02 -1.26 -4.45 135.00 123.59 2br7 n PRO 16 Ca 0.00 -1.46 -0.32 0.00 -2.02 0.00 0.00 63.50 59.70 2br7 n PRO 16 Cb 0.00 -1.16 -0.02 0.00 -0.02 0.00 0.00 33.50 32.31 2br7 n PRO 16 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2br7 s MET 17 N -5.07 3.75 0.08 -0.52 1.75 -1.26 -4.94 119.30 113.10 2br7 s MET 17 Ca 0.56 1.03 -0.34 0.00 -1.25 0.00 0.00 55.69 55.69 2br7 s MET 17 Cb -0.03 -2.10 -0.13 0.00 2.84 0.00 0.00 34.83 35.40 2br7 s MET 17 CO 0.41 -0.44 1.68 0.98 -0.65 0.00 0.00 175.02 177.00 2br7 n TYR 18 N -1.74 2.30 0.66 4.11 9.36 -1.26 -4.88 117.16 125.72 2br7 n TYR 18 Ca 0.07 0.17 0.12 0.00 3.32 0.00 0.00 57.90 61.58 2br7 n TYR 18 Cb 0.54 -2.59 0.47 0.00 -0.63 0.00 0.00 39.34 37.13 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 4.47 0.12 0.00 2.98 -0.04 -1.26 -4.82 135.00 136.44 2br7 n PRO 19 Ca 0.19 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2br7 n PRO 19 Cb 0.29 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 0.81 2.66 3.81 0.55 0.00 -1.26 -5.09 105.19 106.68 2br7 n GLY 20 Ca 0.05 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 2br7 n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2br7 s PRO 21 N -3.44 2.28 0.27 1.61 0.04 -1.26 -5.08 135.00 129.43 2br7 s PRO 21 Ca 0.00 0.68 0.04 0.00 0.04 0.00 0.00 61.00 61.76 2br7 s PRO 21 Cb 0.00 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2br7 s PRO 21 CO 0.00 -1.49 0.21 0.95 0.04 0.00 0.00 177.00 176.71 2br7 s THR 22 N -3.15 0.01 0.15 1.26 -4.23 -1.08 -4.99 115.64 103.60 2br7 s THR 22 Ca 0.60 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.86 2br7 s THR 22 Cb -0.14 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2br7 s THR 22 CO 0.54 0.00 1.60 0.50 -0.54 0.00 0.00 174.62 176.72 2br7 h LYS 23 N 2.34 -0.34 0.00 3.99 3.64 -1.93 -1.46 116.57 122.81 2br7 h LYS 23 Ca -0.30 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2br7 h LYS 23 Cb 1.24 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2br7 h LYS 23 CO 0.44 -0.23 0.00 -0.25 -2.27 0.00 0.00 179.45 177.14 2br7 n ASP 24 N -5.41 0.00 -2.90 4.20 8.00 -1.26 -3.81 116.55 115.37 2br7 n ASP 24 Ca -0.02 -0.71 -0.13 0.00 0.71 0.00 0.00 54.79 54.65 2br7 n ASP 24 Cb 0.33 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.46 2br7 n ASP 24 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2br7 n ASP 25 N -0.94 -1.52 -4.80 -2.24 2.03 -0.60 -5.15 116.55 103.33 2br7 n ASP 25 Ca 0.13 -3.30 -0.29 0.00 0.52 0.00 0.00 54.79 51.85 2br7 n ASP 25 Cb 0.06 1.02 0.11 0.00 -0.72 0.00 0.00 41.12 41.59 2br7 n ASP 25 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2br7 s PRO 26 N -0.34 1.63 -0.03 -0.67 0.04 -0.90 -2.64 135.00 132.09 2br7 s PRO 26 Ca 0.30 0.43 -0.04 0.00 0.04 0.00 0.00 61.00 61.73 2br7 s PRO 26 Cb 0.26 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.93 2br7 s PRO 26 CO -0.13 -1.89 0.11 -1.17 0.04 0.00 0.00 177.00 173.96 2br7 s LEU 27 N -5.88 1.63 -0.18 -3.56 2.96 -0.66 -4.95 118.68 108.03 2br7 s LEU 27 Ca 0.62 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.57 2br7 s LEU 27 Cb -0.14 0.43 -0.01 0.00 0.50 0.00 0.00 46.19 46.97 2br7 s LEU 27 CO 0.53 -0.14 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.44 2br7 s THR 28 N -0.43 3.15 -0.24 3.68 2.01 -1.26 -1.42 115.64 121.14 2br7 s THR 28 Ca -0.05 -0.59 -0.08 0.00 0.31 0.00 0.00 61.69 61.28 2br7 s THR 28 Cb -0.03 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 2br7 s THR 28 CO 0.00 0.48 0.09 -0.69 -0.69 0.00 0.00 174.62 173.81 2br7 s VAL 29 N 0.98 4.60 -0.28 3.82 1.01 0.21 -4.52 120.40 126.21 2br7 s VAL 29 Ca -0.01 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 2br7 s VAL 29 Cb -0.15 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 2br7 s VAL 29 CO -0.01 0.35 0.77 -0.89 0.00 0.00 0.00 175.10 175.33 2br7 s THR 30 N 1.33 4.84 0.06 3.92 2.01 -0.15 -2.51 115.64 125.13 2br7 s THR 30 Ca 0.05 1.28 0.05 0.00 0.31 0.00 0.00 61.69 63.38 2br7 s THR 30 Cb -0.15 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2br7 s THR 30 CO 0.04 -0.15 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.55 2br7 s LEU 31 N 2.84 3.22 -0.18 4.42 2.96 -0.53 -1.89 118.68 129.52 2br7 s LEU 31 Ca 0.32 -0.22 -0.28 0.00 -0.22 0.00 0.00 54.13 53.73 2br7 s LEU 31 Cb -0.15 -1.93 0.11 0.00 0.50 0.00 0.00 46.19 44.72 2br7 s LEU 31 CO 0.10 0.22 0.90 -0.83 -1.32 0.00 0.00 176.35 175.43 2br7 s GLY 32 N -1.88 -0.34 -0.04 7.98 0.00 -0.96 -4.41 107.32 107.66 2br7 s GLY 32 Ca 0.21 2.05 0.05 0.00 0.00 0.00 0.00 44.72 47.03 2br7 s GLY 32 CO 0.12 1.33 -0.19 -1.36 0.00 0.00 0.00 173.10 173.00 2br7 s PHE 33 N -0.57 2.55 -0.39 1.90 0.40 -1.26 -0.70 117.98 119.91 2br7 s PHE 33 Ca -0.02 -0.33 -0.08 0.00 -0.60 0.00 0.00 56.93 55.90 2br7 s PHE 33 Cb -0.02 -1.59 0.07 0.00 0.51 0.00 0.00 43.02 41.98 2br7 s PHE 33 CO 0.01 0.05 0.20 0.99 0.70 0.00 0.00 175.22 177.17 2br7 s THR 34 N -0.58 3.98 0.01 0.64 2.01 -0.77 -1.48 115.64 119.46 2br7 s THR 34 Ca 0.08 -1.38 -0.30 0.00 0.31 0.00 0.00 61.69 60.41 2br7 s THR 34 Cb -0.11 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 2br7 s THR 34 CO 0.01 -0.41 0.96 -0.22 -0.69 0.00 0.00 174.62 174.26 2br7 s LEU 35 N 1.39 4.38 -0.10 4.42 2.96 -1.10 -1.67 118.68 128.97 2br7 s LEU 35 Ca 0.02 1.65 0.08 0.00 -0.22 0.00 0.00 54.13 55.66 2br7 s LEU 35 Cb -0.22 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.81 2br7 s LEU 35 CO 0.02 -0.22 0.02 1.67 -1.32 0.00 0.00 176.35 176.51 2br7 n GLN 36 N 3.74 2.21 -3.63 1.98 7.27 -0.19 -3.81 117.38 124.95 2br7 n GLN 36 Ca 0.05 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.06 2br7 n GLN 36 Cb 0.51 -1.25 -0.06 0.00 2.41 0.00 0.00 30.24 31.85 2br7 n GLN 36 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2br7 s ASP 37 N -4.29 -0.23 -0.39 1.69 2.15 -0.57 -0.68 116.67 114.35 2br7 s ASP 37 Ca -0.06 0.40 -0.16 0.00 0.43 0.00 0.00 52.55 53.15 2br7 s ASP 37 Cb 0.03 0.38 0.01 0.00 -0.30 0.00 0.00 42.92 43.04 2br7 s ASP 37 CO 0.38 -0.12 0.40 -0.63 -0.17 0.00 0.00 175.17 175.03 2br7 s ILE 38 N -0.25 5.13 -0.16 4.11 1.01 -1.26 -1.63 121.20 128.16 2br7 s ILE 38 Ca 0.05 -0.23 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 2br7 s ILE 38 Cb -0.04 -3.95 -0.16 0.00 0.01 0.00 0.00 42.46 38.32 2br7 s ILE 38 CO -0.09 -0.29 0.32 0.58 0.00 0.00 0.00 174.94 175.46 2br7 h VAL 39 N 5.65 0.96 -3.91 2.92 2.07 -1.72 -3.42 116.25 118.79 2br7 h VAL 39 Ca -0.28 -1.90 -0.30 0.00 0.82 0.00 0.00 66.70 65.04 2br7 h VAL 39 Cb 1.12 1.99 -0.27 0.00 -1.52 0.00 0.00 31.29 32.62 2br7 h VAL 39 CO 0.75 0.32 -0.75 -0.75 0.02 0.00 0.00 177.57 177.17 2br7 s LYS 40 N -2.18 0.42 -0.09 1.57 2.20 -1.25 -4.93 119.74 115.48 2br7 s LYS 40 Ca -0.19 -0.31 0.04 0.00 -0.36 0.00 0.00 55.97 55.14 2br7 s LYS 40 Cb 0.01 -0.35 0.00 0.00 -1.51 0.00 0.00 37.83 35.99 2br7 s LYS 40 CO 0.49 0.09 -0.21 0.08 -0.36 0.00 0.00 175.35 175.44 2br7 s VAL 41 N -0.42 1.80 -0.18 4.02 1.01 -1.26 -1.06 120.40 124.31 2br7 s VAL 41 Ca -0.01 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2br7 s VAL 41 Cb -0.04 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.79 2br7 s VAL 41 CO -0.00 0.50 -0.18 -0.62 0.00 0.00 0.00 175.10 174.81 2br7 s ASP 42 N 0.40 3.13 0.00 3.32 -1.08 -0.37 -5.01 116.67 117.06 2br7 s ASP 42 Ca -0.17 -0.68 0.23 0.00 -0.52 0.00 0.00 52.55 51.41 2br7 s ASP 42 Cb -0.17 -1.40 0.48 0.00 -1.46 0.00 0.00 42.92 40.37 2br7 s ASP 42 CO 0.07 -0.03 1.42 -1.54 0.52 0.00 0.00 175.17 175.61 2br7 n SER 43 N 4.64 2.92 -0.10 -0.34 3.41 -1.26 -2.64 113.62 120.26 2br7 n SER 43 Ca -0.19 -1.91 -0.23 0.00 -0.26 0.00 0.00 58.87 56.28 2br7 n SER 43 Cb 0.49 -0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 64.16 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 1.16 1.99 -4.88 4.04 3.41 -1.26 -4.76 113.62 113.32 2br7 n SER 44 Ca 0.18 0.16 -0.30 0.00 -0.26 0.00 0.00 58.87 58.65 2br7 n SER 44 Cb 0.54 -0.72 0.04 0.00 -0.26 0.00 0.00 64.21 63.81 2br7 n SER 44 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2br7 s THR 45 N -2.50 3.69 -0.90 6.66 -4.23 -1.26 -5.00 115.64 112.10 2br7 s THR 45 Ca -0.32 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2br7 s THR 45 Cb 0.09 -3.54 0.31 0.00 1.34 0.00 0.00 72.50 70.70 2br7 s THR 45 CO 0.61 -0.71 1.37 0.59 -0.54 0.00 0.00 174.62 175.94 2br7 n ASN 46 N -2.96 5.93 -4.33 3.99 5.03 -1.26 -4.74 115.26 116.93 2br7 n ASN 46 Ca 0.07 -3.56 -0.31 0.00 0.87 0.00 0.00 54.58 51.65 2br7 n ASN 46 Cb 0.57 -1.01 -0.16 0.00 -1.02 0.00 0.00 39.78 38.16 2br7 n ASN 46 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2br7 s GLU 47 N -3.36 2.20 0.00 3.52 2.02 -1.08 0.19 118.70 122.19 2br7 s GLU 47 Ca 0.38 -0.90 0.03 0.00 0.02 0.00 0.00 54.97 54.50 2br7 s GLU 47 Cb 0.15 -2.10 -0.01 0.00 0.10 0.00 0.00 34.13 32.28 2br7 s GLU 47 CO -0.03 0.55 -0.08 0.08 0.02 0.00 0.00 175.26 175.80 2br7 s VAL 48 N -0.59 0.65 -0.17 2.63 1.01 -0.95 -1.24 120.40 121.74 2br7 s VAL 48 Ca 0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 2br7 s VAL 48 Cb -0.10 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 2br7 s VAL 48 CO -0.00 0.13 -0.06 -1.81 0.00 0.00 0.00 175.10 173.35 2br7 s ASP 49 N -0.35 4.45 0.05 3.32 1.11 -0.23 -1.75 116.67 123.28 2br7 s ASP 49 Ca 0.02 -0.26 0.05 0.00 0.18 0.00 0.00 52.55 52.54 2br7 s ASP 49 Cb -0.04 -1.73 -0.04 0.00 1.07 0.00 0.00 42.92 42.19 2br7 s ASP 49 CO -0.00 0.11 -0.09 -0.76 1.18 0.00 0.00 175.17 175.60 2br7 s LEU 50 N 0.72 3.04 -0.19 1.23 1.43 0.81 -1.83 118.68 123.90 2br7 s LEU 50 Ca -0.03 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 2br7 s LEU 50 Cb -0.15 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.32 2br7 s LEU 50 CO 0.02 0.24 -0.15 -0.69 0.23 0.00 0.00 176.35 176.00 2br7 s VAL 51 N -1.07 1.84 0.12 -1.59 1.01 -0.64 0.05 120.40 120.12 2br7 s VAL 51 Ca 0.18 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2br7 s VAL 51 Cb -0.11 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2br7 s VAL 51 CO 0.10 0.33 0.12 -0.72 0.00 0.00 0.00 175.10 174.93 2br7 s TYR 52 N 1.34 0.60 0.32 5.22 -0.85 -1.00 -1.02 117.35 121.97 2br7 s TYR 52 Ca 0.01 -1.00 0.09 0.00 -0.52 0.00 0.00 57.07 55.64 2br7 s TYR 52 Cb -0.15 -0.30 -0.05 0.00 0.38 0.00 0.00 41.96 41.85 2br7 s TYR 52 CO -0.10 -0.56 0.08 1.52 -1.52 0.00 0.00 175.55 174.97 2br7 s TYR 53 N -3.99 2.66 -0.21 -3.49 -0.85 -0.67 -1.08 117.35 109.74 2br7 s TYR 53 Ca 0.17 -0.36 -0.03 0.00 -0.52 0.00 0.00 57.07 56.34 2br7 s TYR 53 Cb 0.06 -1.50 0.06 0.00 0.38 0.00 0.00 41.96 40.96 2br7 s TYR 53 CO -0.02 0.44 0.04 -2.00 -1.52 0.00 0.00 175.55 172.49 2br7 s GLU 54 N -3.77 0.65 0.08 -3.49 2.12 -0.50 -1.85 118.70 111.94 2br7 s GLU 54 Ca 0.36 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 2br7 s GLU 54 Cb -0.03 -2.08 -0.06 0.00 0.26 0.00 0.00 34.13 32.22 2br7 s GLU 54 CO 0.21 -0.68 1.16 -1.14 -0.54 0.00 0.00 175.26 174.27 2br7 s GLN 55 N 1.85 4.48 -0.03 4.30 0.74 0.12 -3.36 119.66 127.75 2br7 s GLN 55 Ca 0.00 1.73 0.03 0.00 0.05 0.00 0.00 55.36 57.17 2br7 s GLN 55 Cb -0.17 -3.34 0.00 0.00 1.10 0.00 0.00 33.01 30.60 2br7 s GLN 55 CO -0.10 -0.16 -0.12 -0.65 -0.55 0.00 0.00 175.29 173.71 2br7 s GLN 56 N 0.72 1.24 0.01 1.67 -0.21 0.46 -2.28 119.66 121.27 2br7 s GLN 56 Ca 0.56 -0.40 -0.07 0.00 0.02 0.00 0.00 55.36 55.47 2br7 s GLN 56 Cb -0.29 -1.12 -0.00 0.00 1.00 0.00 0.00 33.01 32.60 2br7 s GLN 56 CO 0.31 0.15 0.13 -0.98 -2.12 0.00 0.00 175.29 172.78 2br7 s ARG 57 N 0.17 0.50 0.23 2.91 1.70 -0.79 -1.26 118.95 122.40 2br7 s ARG 57 Ca -0.04 -0.46 -0.22 0.00 -0.47 0.00 0.00 55.73 54.54 2br7 s ARG 57 Cb -0.10 0.21 0.05 0.00 -0.57 0.00 0.00 34.95 34.54 2br7 s ARG 57 CO 0.01 -0.12 0.87 1.67 -1.08 0.00 0.00 175.30 176.65 2br7 s TRP 58 N -1.58 -0.10 -0.05 5.89 -2.14 -1.08 -0.98 118.94 118.90 2br7 s TRP 58 Ca -0.13 -0.31 0.02 0.00 2.66 0.00 0.00 56.10 58.33 2br7 s TRP 58 Cb -0.07 0.69 0.02 0.00 -3.10 0.00 0.00 33.47 31.01 2br7 s TRP 58 CO 0.01 -1.06 -0.08 0.21 -2.66 0.00 0.00 176.95 173.37 2br7 s LYS 59 N -3.26 1.12 -0.11 3.25 2.20 -1.26 0.19 119.74 121.87 2br7 s LYS 59 Ca 0.13 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 2br7 s LYS 59 Cb -0.03 -1.02 0.02 0.00 -1.51 0.00 0.00 37.83 35.29 2br7 s LYS 59 CO 0.05 -0.02 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.42 2br7 s LEU 60 N 0.73 1.36 0.40 5.43 1.43 0.12 -4.93 118.68 123.22 2br7 s LEU 60 Ca -0.12 -0.33 0.11 0.00 -1.03 0.00 0.00 54.13 52.76 2br7 s LEU 60 Cb -0.14 -0.89 0.92 0.00 0.03 0.00 0.00 46.19 46.11 2br7 s LEU 60 CO 0.01 -0.08 1.95 0.78 0.23 0.00 0.00 176.35 179.25 2br7 h ASN 61 N 7.91 0.49 -0.59 2.29 2.35 -1.87 0.19 115.58 126.35 2br7 h ASN 61 Ca -0.31 0.01 0.17 0.00 -0.55 0.00 0.00 56.30 55.62 2br7 h ASN 61 Cb 1.14 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 2br7 h ASN 61 CO 0.44 0.29 0.51 0.77 -1.65 0.00 0.00 177.43 177.79 2br7 h SER 62 N 0.54 0.00 -0.79 5.81 4.64 -1.94 -1.26 113.55 120.56 2br7 h SER 62 Ca 0.32 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 61.20 2br7 h SER 62 Cb 0.52 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.36 2br7 h SER 62 CO -0.10 0.00 0.39 0.18 -0.87 0.00 0.00 176.83 176.42 2br7 n LEU 63 N -3.97 6.00 -4.83 5.97 4.77 0.05 -5.00 117.00 120.00 2br7 n LEU 63 Ca 0.11 -3.83 -0.33 0.00 -0.03 0.00 0.00 56.01 51.93 2br7 n LEU 63 Cb 0.74 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2br7 n LEU 63 CO 0.32 1.24 -0.22 -0.32 -1.33 0.00 0.00 177.39 177.09 2br7 s MET 64 N -3.38 3.21 0.15 3.23 1.75 -0.48 -3.65 119.30 120.12 2br7 s MET 64 Ca 0.54 -0.40 -0.10 0.00 -1.25 0.00 0.00 55.69 54.48 2br7 s MET 64 Cb 0.46 -2.96 0.00 0.00 2.84 0.00 0.00 34.83 35.17 2br7 s MET 64 CO 0.05 0.67 0.30 1.67 -0.65 0.00 0.00 175.02 177.06 2br7 s TRP 65 N -1.21 0.24 -0.33 4.11 -2.14 -0.72 -4.97 118.94 113.93 2br7 s TRP 65 Ca 0.23 -0.62 -0.12 0.00 2.66 0.00 0.00 56.10 58.25 2br7 s TRP 65 Cb -0.12 0.01 -0.02 0.00 -3.10 0.00 0.00 33.47 30.24 2br7 s TRP 65 CO 0.14 -0.70 0.22 0.34 -2.66 0.00 0.00 176.95 174.30 2br7 s ASP 66 N -2.92 6.02 0.35 -2.66 2.15 -1.26 -4.62 116.67 113.72 2br7 s ASP 66 Ca 0.12 -0.35 0.03 0.00 0.43 0.00 0.00 52.55 52.79 2br7 s ASP 66 Cb 0.03 -2.13 0.65 0.00 -0.30 0.00 0.00 42.92 41.17 2br7 s ASP 66 CO -0.04 -0.20 1.98 -0.65 -0.17 0.00 0.00 175.17 176.10 2br7 h PRO 67 N 8.46 0.84 -0.70 4.34 0.11 -1.92 -1.57 132.00 141.56 2br7 h PRO 67 Ca -0.32 -0.05 0.17 0.00 0.11 0.00 0.00 66.00 65.91 2br7 h PRO 67 Cb 1.16 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 2br7 h PRO 67 CO 0.62 0.55 0.48 -0.97 -0.21 0.00 0.00 178.00 178.47 2br7 h ASN 68 N 0.86 0.19 1.53 -2.05 -0.73 -1.93 0.55 115.58 113.99 2br7 h ASN 68 Ca 0.28 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.43 2br7 h ASN 68 Cb 0.05 -0.03 -0.00 0.00 0.27 0.00 0.00 38.32 38.61 2br7 h ASN 68 CO -0.08 0.10 -0.16 -0.33 -0.37 0.00 0.00 177.43 176.59 2br7 h GLU 69 N 0.20 0.00 -1.65 6.67 5.08 -1.71 -3.36 114.58 119.81 2br7 h GLU 69 Ca 0.34 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.14 2br7 h GLU 69 Cb 1.05 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.88 2br7 h GLU 69 CO -0.06 0.16 -0.78 0.66 -1.00 0.00 0.00 179.01 177.98 2br7 n TYR 70 N -3.18 3.18 -2.38 4.33 4.01 0.17 -4.95 117.16 118.34 2br7 n TYR 70 Ca 0.02 -3.31 -0.19 0.00 -0.16 0.00 0.00 57.90 54.27 2br7 n TYR 70 Cb 0.52 -0.22 -0.01 0.00 -0.31 0.00 0.00 39.34 39.33 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 -0.35 -0.40 2.36 2.72 0.00 -1.01 -2.14 105.19 106.36 2br7 n GLY 71 Ca 0.33 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.89 -4.61 1.61 5.03 0.02 -4.96 115.26 105.87 2br7 n ASN 72 Ca -0.22 -0.04 -0.43 0.00 0.87 0.00 0.00 54.58 54.77 2br7 n ASN 72 Cb 0.67 -3.97 -0.03 0.00 -1.02 0.00 0.00 39.78 35.42 2br7 n ASN 72 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2br7 s ILE 73 N -2.84 4.60 -0.09 2.41 1.01 -0.91 -4.93 121.20 120.44 2br7 s ILE 73 Ca 0.02 1.32 0.21 0.00 0.00 0.00 0.00 60.65 62.20 2br7 s ILE 73 Cb -0.01 -4.33 -0.31 0.00 0.01 0.00 0.00 42.46 37.82 2br7 s ILE 73 CO 0.03 -0.48 0.34 0.35 0.00 0.00 0.00 174.94 175.18 2br7 n THR 74 N 5.89 0.47 -3.53 2.92 -2.24 -1.26 -4.44 114.28 112.09 2br7 n THR 74 Ca 0.08 -0.62 -0.16 0.00 -2.27 0.00 0.00 64.05 61.07 2br7 n THR 74 Cb 0.48 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 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 -4.85 -0.58 0.27 3.42 1.47 -1.26 0.67 116.67 115.81 2br7 s ASP 75 Ca -0.09 0.49 0.02 0.00 1.18 0.00 0.00 52.55 54.16 2br7 s ASP 75 Cb 0.11 0.52 -0.04 0.00 -0.34 0.00 0.00 42.92 43.18 2br7 s ASP 75 CO 0.88 -0.66 0.16 0.72 0.68 0.00 0.00 175.17 176.95 2br7 s PHE 76 N -1.74 1.49 -0.06 2.11 -0.71 0.39 -4.99 117.98 114.48 2br7 s PHE 76 Ca -0.09 -1.39 0.05 0.00 -1.04 0.00 0.00 56.93 54.46 2br7 s PHE 76 Cb -0.01 -0.77 -0.02 0.00 -1.21 0.00 0.00 43.02 41.02 2br7 s PHE 76 CO 0.05 -0.57 -0.19 1.03 -1.34 0.00 0.00 175.22 174.19 2br7 s ARG 77 N -3.89 2.58 0.08 1.99 0.52 -1.26 -0.20 118.95 118.77 2br7 s ARG 77 Ca 0.37 -0.79 -0.16 0.00 -0.52 0.00 0.00 55.73 54.63 2br7 s ARG 77 Cb 0.06 -2.29 0.03 0.00 0.52 0.00 0.00 34.95 33.26 2br7 s ARG 77 CO 0.17 0.48 0.38 -0.08 0.02 0.00 0.00 175.30 176.27 2br7 s THR 78 N -0.39 0.07 0.02 0.02 -1.32 -0.10 -4.99 115.64 108.95 2br7 s THR 78 Ca 0.04 -0.58 -0.35 0.00 -1.21 0.00 0.00 61.69 59.58 2br7 s THR 78 Cb -0.12 -1.08 -0.14 0.00 -1.51 0.00 0.00 72.50 69.65 2br7 s THR 78 CO 0.02 -0.32 1.65 -0.24 -2.21 0.00 0.00 174.62 173.52 2br7 n SER 79 N 0.14 2.88 -0.32 8.08 2.88 -1.26 -0.47 113.62 125.55 2br7 n SER 79 Ca -0.17 1.05 0.18 0.00 -1.33 0.00 0.00 58.87 58.60 2br7 n SER 79 Cb 0.62 -1.34 0.37 0.00 -0.75 0.00 0.00 64.21 63.11 2br7 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2br7 h ALA 80 N 6.88 1.59 -0.14 -1.46 0.00 -0.88 0.20 119.26 125.45 2br7 h ALA 80 Ca -0.47 0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2br7 h ALA 80 Cb 1.28 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2br7 h ALA 80 CO 0.90 -0.50 0.44 0.00 0.00 0.00 0.00 179.25 180.09 2br7 h ALA 81 N 1.81 1.65 -0.04 0.00 0.00 -1.90 -0.83 119.26 119.95 2br7 h ALA 81 Ca 0.64 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.41 2br7 h ALA 81 Cb 1.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2br7 h ALA 81 CO -0.63 -0.52 -0.59 -0.44 0.00 0.00 0.00 179.25 177.08 2br7 h ASP 82 N 0.00 0.15 -1.48 0.00 3.32 -0.96 -3.46 116.42 113.99 2br7 h ASP 82 Ca 0.07 -0.08 -0.56 0.00 0.02 0.00 0.00 57.03 56.48 2br7 h ASP 82 Cb 0.96 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.39 2br7 h ASP 82 CO -0.00 0.70 -0.46 0.27 -1.72 0.00 0.00 179.24 178.03 2br7 s ILE 83 N -3.75 2.30 0.33 0.35 -4.36 -0.32 -5.00 121.20 110.76 2br7 s ILE 83 Ca -0.03 -1.62 -0.25 0.00 -0.26 0.00 0.00 60.65 58.49 2br7 s ILE 83 Cb 0.12 -2.92 -0.10 0.00 1.25 0.00 0.00 42.46 40.81 2br7 s ILE 83 CO 0.78 0.00 0.93 0.86 0.24 0.00 0.00 174.94 177.75 2br7 s TRP 84 N -2.59 3.64 0.03 1.37 -0.00 -1.26 -4.97 118.94 115.15 2br7 s TRP 84 Ca 0.41 1.74 0.02 0.00 -0.00 0.00 0.00 56.10 58.27 2br7 s TRP 84 Cb 0.02 -2.90 -0.02 0.00 -0.00 0.00 0.00 33.47 30.58 2br7 s TRP 84 CO 0.23 0.17 -0.07 0.95 -0.00 0.00 0.00 176.95 178.23 2br7 s THR 85 N -1.69 0.50 0.73 5.86 -4.23 -1.26 -5.09 115.64 110.46 2br7 s THR 85 Ca 0.51 -0.82 -0.13 0.00 -1.18 0.00 0.00 61.69 60.07 2br7 s THR 85 Cb -0.17 -0.53 0.04 0.00 1.34 0.00 0.00 72.50 73.18 2br7 s THR 85 CO 0.22 -0.23 1.12 -2.16 -0.54 0.00 0.00 174.62 173.03 2br7 s PRO 86 N -1.14 2.36 -1.00 3.99 0.04 -1.26 -4.93 135.00 133.06 2br7 s PRO 86 Ca -0.06 1.39 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 2br7 s PRO 86 Cb -0.08 -1.89 0.24 0.00 0.04 0.00 0.00 34.50 32.81 2br7 s PRO 86 CO 0.00 -1.59 2.14 -0.40 0.04 0.00 0.00 177.00 177.19 2br7 n ASP 87 N -2.99 7.47 -4.66 6.66 5.75 -1.26 -4.97 116.55 122.55 2br7 n ASP 87 Ca 0.11 -3.51 -0.43 0.00 -0.01 0.00 0.00 54.79 50.95 2br7 n ASP 87 Cb 0.52 -1.21 -0.02 0.00 -1.03 0.00 0.00 41.12 39.38 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 -3.37 4.05 0.19 2.12 -1.09 -1.26 -2.67 121.20 119.17 2br7 s ILE 88 Ca 0.48 1.27 0.10 0.00 -2.23 0.00 0.00 60.65 60.28 2br7 s ILE 88 Cb 0.26 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 2br7 s ILE 88 CO -0.19 -0.11 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.31 2br7 s THR 89 N 3.66 2.13 -0.04 2.92 2.01 0.15 -4.81 115.64 121.66 2br7 s THR 89 Ca 0.61 -2.00 -0.24 0.00 0.31 0.00 0.00 61.69 60.37 2br7 s THR 89 Cb -0.26 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 2br7 s THR 89 CO 0.20 -0.21 0.71 0.00 -0.69 0.00 0.00 174.62 174.63 2br7 s ALA 90 N -1.87 3.34 -0.56 7.40 0.00 -1.26 -0.83 121.76 127.98 2br7 s ALA 90 Ca 0.19 0.16 0.24 0.00 0.00 0.00 0.00 51.96 52.56 2br7 s ALA 90 Cb -0.07 -2.96 0.53 0.00 0.00 0.00 0.00 23.12 20.62 2br7 s ALA 90 CO 0.09 -0.07 1.67 1.88 0.00 0.00 0.00 175.76 179.33 2br7 h TYR 91 N 6.55 0.00 -0.67 0.00 -1.99 -0.58 -3.32 116.97 116.95 2br7 h TYR 91 Ca -0.42 0.00 -0.39 0.00 2.00 0.00 0.00 58.73 59.93 2br7 h TYR 91 Cb 1.20 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 39.52 2br7 h TYR 91 CO 0.65 0.00 -0.99 -1.13 -0.00 0.00 0.00 178.16 176.69 2br7 n SER 92 N -2.73 2.97 -4.72 3.88 3.41 -1.26 -5.00 113.62 110.17 2br7 n SER 92 Ca 0.05 -2.82 -0.31 0.00 -0.26 0.00 0.00 58.87 55.52 2br7 n SER 92 Cb 0.49 -0.43 0.13 0.00 -0.26 0.00 0.00 64.21 64.13 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 -3.65 3.69 0.00 4.04 1.04 -1.25 -1.98 113.70 115.59 2br7 s SER 93 Ca 0.37 2.05 0.01 0.00 0.48 0.00 0.00 55.95 58.86 2br7 s SER 93 Cb 0.37 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.94 2br7 s SER 93 CO -0.01 -2.58 0.15 0.35 0.98 0.00 0.00 173.24 172.12 2br7 n THR 94 N -3.81 0.00 -4.15 2.02 -2.24 0.12 -4.81 114.28 101.41 2br7 n THR 94 Ca 0.11 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 2br7 n THR 94 Cb 0.52 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.83 0.81 0.34 -0.78 0.52 -1.25 -5.07 118.95 112.69 2br7 s ARG 95 Ca 0.00 -1.34 -0.27 0.00 -0.52 0.00 0.00 55.73 53.61 2br7 s ARG 95 Cb 0.01 -0.06 -0.13 0.00 0.52 0.00 0.00 34.95 35.29 2br7 s ARG 95 CO 0.03 -0.08 1.12 -2.30 0.02 0.00 0.00 175.30 174.09 2br7 n PRO 96 N -0.03 1.65 -2.16 3.54 -0.02 -1.26 -4.72 135.00 132.00 2br7 n PRO 96 Ca -0.11 0.58 -0.39 0.00 -2.02 0.00 0.00 63.50 61.55 2br7 n PRO 96 Cb 0.61 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 32.01 2br7 n PRO 96 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2br7 s VAL 97 N -1.12 2.85 -0.14 -1.45 0.11 -1.26 -4.86 120.40 114.53 2br7 s VAL 97 Ca 0.58 0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 60.35 2br7 s VAL 97 Cb -0.62 -3.46 -0.04 0.00 -1.53 0.00 0.00 36.38 30.73 2br7 s VAL 97 CO 0.60 0.12 0.05 -1.10 -3.33 0.00 0.00 175.10 171.44 2br7 s GLN 98 N -2.11 3.57 -0.15 1.54 -0.21 -0.79 -4.96 119.66 116.54 2br7 s GLN 98 Ca 0.54 -0.34 -0.16 0.00 0.02 0.00 0.00 55.36 55.43 2br7 s GLN 98 Cb -0.36 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.55 2br7 s GLN 98 CO 0.46 0.48 0.37 0.08 -2.12 0.00 0.00 175.29 174.56 2br7 s VAL 99 N -0.24 5.25 -0.26 1.09 1.01 -1.26 -0.77 120.40 125.23 2br7 s VAL 99 Ca 0.07 0.70 0.16 0.00 0.00 0.00 0.00 61.98 62.92 2br7 s VAL 99 Cb -0.12 -3.71 -0.23 0.00 0.00 0.00 0.00 36.38 32.32 2br7 s VAL 99 CO 0.02 0.35 0.46 0.18 0.00 0.00 0.00 175.10 176.10 2br7 n LEU 100 N 3.73 0.24 -4.28 3.92 4.32 0.64 -4.97 117.00 120.60 2br7 n LEU 100 Ca -0.10 -0.16 -0.17 0.00 -0.02 0.00 0.00 56.01 55.56 2br7 n LEU 100 Cb 0.52 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.21 2br7 n LEU 100 CO 0.41 0.06 -0.43 -0.94 -1.22 0.00 0.00 177.39 175.27 2br7 s SER 101 N -3.44 2.12 0.46 -1.43 1.04 -1.23 -4.92 113.70 106.29 2br7 s SER 101 Ca -0.02 -0.94 -0.22 0.00 0.48 0.00 0.00 55.95 55.24 2br7 s SER 101 Cb 0.11 -0.07 -0.11 0.00 0.10 0.00 0.00 66.02 66.05 2br7 s SER 101 CO 0.67 -0.21 0.73 -2.65 0.98 0.00 0.00 173.24 172.76 2br7 n PRO 102 N 0.00 0.84 -3.09 4.02 -0.02 -1.26 -4.75 135.00 130.73 2br7 n PRO 102 Ca -0.11 0.31 -0.44 0.00 -2.02 0.00 0.00 63.50 61.24 2br7 n PRO 102 Cb 0.59 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.22 3.99 -4.62 -0.52 1.13 -1.26 -4.82 117.38 111.50 2br7 n GLN 103 Ca 0.11 -4.41 -0.24 0.00 -1.94 0.00 0.00 57.00 50.52 2br7 n GLN 103 Cb 0.41 -2.58 -0.16 0.00 0.11 0.00 0.00 30.24 28.01 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 -1.73 1.14 0.27 5.09 1.01 -1.26 -0.17 121.20 125.55 2br7 s ILE 104 Ca 0.32 -0.52 0.10 0.00 0.00 0.00 0.00 60.65 60.55 2br7 s ILE 104 Cb -0.01 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 2br7 s ILE 104 CO 0.02 0.35 -0.06 0.00 0.00 0.00 0.00 174.94 175.24 2br7 s ALA 105 N 0.36 3.04 -0.17 9.38 0.00 0.38 -4.60 121.76 130.16 2br7 s ALA 105 Ca -0.09 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.15 2br7 s ALA 105 Cb -0.13 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.41 2br7 s ALA 105 CO 0.02 0.26 -0.20 0.14 0.00 0.00 0.00 175.76 175.99 2br7 s VAL 106 N -2.39 2.15 -0.10 0.00 -7.23 -0.41 -0.93 120.40 111.49 2br7 s VAL 106 Ca 0.31 -0.92 -0.08 0.00 -1.81 0.00 0.00 61.98 59.48 2br7 s VAL 106 Cb -0.06 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 2br7 s VAL 106 CO 0.18 0.54 0.18 -0.69 -0.31 0.00 0.00 175.10 175.00 2br7 s VAL 107 N 1.15 5.43 0.13 1.32 1.01 0.72 -1.45 120.40 128.71 2br7 s VAL 107 Ca 0.01 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.38 2br7 s VAL 107 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2br7 s VAL 107 CO -0.09 0.61 -0.11 -0.89 0.00 0.00 0.00 175.10 174.62 2br7 s THR 108 N -1.02 3.21 0.66 3.92 2.01 -0.15 -0.46 115.64 123.81 2br7 s THR 108 Ca 0.16 -1.43 0.29 0.00 0.31 0.00 0.00 61.69 61.02 2br7 s THR 108 Cb -0.13 -2.53 0.29 0.00 0.01 0.00 0.00 72.50 70.14 2br7 s THR 108 CO 0.05 0.04 1.87 1.12 -0.69 0.00 0.00 174.62 177.02 2br7 h HIS 109 N 3.42 0.00 -0.30 4.92 2.07 -0.08 0.21 115.15 125.39 2br7 h HIS 109 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2br7 h HIS 109 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 2br7 h HIS 109 CO 0.62 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.08 2br7 n ASP 110 N -2.86 2.54 0.00 3.10 5.75 -1.26 -1.75 116.55 122.07 2br7 n ASP 110 Ca -0.02 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2br7 n ASP 110 Cb 0.41 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 2br7 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2br7 n GLY 111 N 1.31 0.39 3.89 6.12 0.00 0.72 -4.79 105.19 112.82 2br7 n GLY 111 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.56 6.53 -0.02 1.61 1.04 -1.23 0.10 113.70 119.17 2br7 s SER 112 Ca 0.00 0.88 0.05 0.00 0.48 0.00 0.00 55.95 57.36 2br7 s SER 112 Cb 0.00 -2.21 -0.01 0.00 0.10 0.00 0.00 66.02 63.90 2br7 s SER 112 CO 0.00 -0.19 -0.16 -0.69 0.98 0.00 0.00 173.24 173.18 2br7 s VAL 113 N -2.05 1.25 -0.10 5.02 1.01 0.13 -0.97 120.40 124.69 2br7 s VAL 113 Ca 0.47 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2br7 s VAL 113 Cb -0.11 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2br7 s VAL 113 CO 0.27 0.36 -0.10 -0.32 0.00 0.00 0.00 175.10 175.31 2br7 s MET 114 N -0.32 1.68 -0.05 2.72 1.75 -0.53 -2.64 119.30 121.91 2br7 s MET 114 Ca 0.05 -0.34 0.01 0.00 -1.25 0.00 0.00 55.69 54.15 2br7 s MET 114 Cb -0.07 -1.61 0.02 0.00 2.84 0.00 0.00 34.83 36.02 2br7 s MET 114 CO -0.00 -0.18 -0.04 0.12 -0.65 0.00 0.00 175.02 174.27 2br7 s PHE 115 N 1.37 0.80 -0.48 4.11 5.36 -0.39 -1.29 117.98 127.45 2br7 s PHE 115 Ca -0.01 -0.24 0.06 0.00 -0.96 0.00 0.00 56.93 55.78 2br7 s PHE 115 Cb -0.14 -0.73 0.21 0.00 -0.34 0.00 0.00 43.02 42.02 2br7 s PHE 115 CO -0.05 -0.23 0.49 -0.89 -1.46 0.00 0.00 175.22 173.07 2br7 n ILE 116 N 4.27 -0.07 -2.39 3.12 5.41 -1.26 -0.40 119.36 128.04 2br7 n ILE 116 Ca -0.21 -4.12 -0.42 0.00 1.00 0.00 0.00 62.75 59.01 2br7 n ILE 116 Cb 0.51 -1.91 -0.03 0.00 -0.71 0.00 0.00 39.64 37.50 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 -0.99 4.46 0.08 0.38 0.04 -1.21 -4.71 135.00 133.05 2br7 s PRO 117 Ca 0.34 1.84 -0.23 0.00 0.04 0.00 0.00 61.00 62.98 2br7 s PRO 117 Cb 0.09 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.28 2br7 s PRO 117 CO -0.14 -0.18 0.71 0.00 0.04 0.00 0.00 177.00 177.44 2br7 s ALA 118 N 0.49 3.45 0.05 8.56 0.00 -1.26 -1.41 121.76 131.63 2br7 s ALA 118 Ca 0.56 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.73 2br7 s ALA 118 Cb -0.31 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 2br7 s ALA 118 CO 0.33 0.21 -0.01 -0.65 0.00 0.00 0.00 175.76 175.64 2br7 s GLN 119 N -0.59 0.61 -0.08 0.00 -0.21 -0.24 -0.26 119.66 118.88 2br7 s GLN 119 Ca 0.35 -1.14 0.05 0.00 0.02 0.00 0.00 55.36 54.64 2br7 s GLN 119 Cb -0.21 0.21 -0.00 0.00 1.00 0.00 0.00 33.01 34.01 2br7 s GLN 119 CO 0.22 -0.12 -0.23 0.50 -2.12 0.00 0.00 175.29 173.54 2br7 s ARG 120 N -3.69 2.70 -0.03 2.91 3.52 0.05 -2.37 118.95 122.05 2br7 s ARG 120 Ca 0.05 -0.84 0.02 0.00 -0.13 0.00 0.00 55.73 54.82 2br7 s ARG 120 Cb 0.06 -2.14 0.01 0.00 -1.56 0.00 0.00 34.95 31.31 2br7 s ARG 120 CO -0.09 0.25 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.41 2br7 s LEU 121 N 0.16 1.70 -0.23 -0.88 2.96 0.11 -1.89 118.68 120.60 2br7 s LEU 121 Ca -0.12 -0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 2br7 s LEU 121 Cb -0.16 -0.45 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 2br7 s LEU 121 CO 0.06 0.03 0.08 -0.44 -1.32 0.00 0.00 176.35 174.76 2br7 s SER 122 N 0.34 5.38 0.32 3.68 0.01 -1.26 -0.13 113.70 122.04 2br7 s SER 122 Ca -0.05 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.14 2br7 s SER 122 Cb -0.09 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 2br7 s SER 122 CO 0.00 0.03 0.13 0.72 0.41 0.00 0.00 173.24 174.53 2br7 s PHE 123 N 1.26 1.68 -0.26 2.43 -0.71 -0.71 0.14 117.98 121.80 2br7 s PHE 123 Ca 0.05 -1.26 -0.24 0.00 -1.04 0.00 0.00 56.93 54.44 2br7 s PHE 123 Cb -0.15 -0.98 -0.01 0.00 -1.21 0.00 0.00 43.02 40.68 2br7 s PHE 123 CO 0.04 -0.37 0.79 -1.64 -1.34 0.00 0.00 175.22 172.69 2br7 s MET 124 N -3.84 4.13 -0.30 1.99 -1.94 -0.84 -2.24 119.30 116.26 2br7 s MET 124 Ca 0.34 0.80 -0.12 0.00 -1.71 0.00 0.00 55.69 55.01 2br7 s MET 124 Cb 0.06 -3.66 0.14 0.00 2.01 0.00 0.00 34.83 33.37 2br7 s MET 124 CO 0.16 -0.53 0.74 0.00 -0.01 0.00 0.00 175.02 175.38 2br7 s ASP 126 N 2.70 6.33 0.00 0.00 -1.08 -1.26 -3.38 116.67 119.98 2br7 s ASP 126 Ca -0.05 -0.43 0.10 0.00 -0.52 0.00 0.00 52.55 51.65 2br7 s ASP 126 Cb -0.10 -2.38 0.39 0.00 -1.46 0.00 0.00 42.92 39.36 2br7 s ASP 126 CO -0.19 -1.05 1.28 -0.81 0.52 0.00 0.00 175.17 174.92 2br7 n PRO 127 N 6.91 1.40 -1.64 4.34 -0.04 -1.26 -4.81 135.00 139.90 2br7 n PRO 127 Ca -0.00 -0.62 -0.50 0.00 -0.04 0.00 0.00 63.50 62.34 2br7 n PRO 127 Cb 0.47 -1.20 -0.05 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.05 0.09 -0.27 0.52 -1.04 -1.26 -1.11 114.28 111.16 2br7 n THR 128 Ca 0.09 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 2br7 n THR 128 Cb 0.16 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 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 3.22 0.68 0.32 3.41 0.00 -1.26 -4.84 105.19 106.71 2br7 n GLY 129 Ca 0.19 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.41 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 0.08 0.00 1.61 3.04 -1.36 -2.58 116.25 117.04 2br7 h VAL 130 Ca 0.00 -0.18 -0.17 0.00 -1.01 0.00 0.00 66.70 65.34 2br7 h VAL 130 Cb 0.00 1.16 -0.03 0.00 -2.01 0.00 0.00 31.29 30.41 2br7 h VAL 130 CO 0.00 0.01 -1.38 -2.24 -1.01 0.00 0.00 177.57 172.95 2br7 h ASP 131 N 0.00 0.00 -3.32 3.17 3.04 -1.92 0.45 116.42 117.84 2br7 h ASP 131 Ca -0.00 0.00 -0.41 0.00 -3.24 0.00 0.00 57.03 53.38 2br7 h ASP 131 Cb 0.16 0.00 0.20 0.00 -1.04 0.00 0.00 39.33 38.65 2br7 h ASP 131 CO 0.00 0.58 0.02 -0.94 -2.04 0.00 0.00 179.24 176.86 2br7 s SER 132 N -5.81 0.46 0.12 4.15 1.04 -0.97 -4.77 113.70 107.92 2br7 s SER 132 Ca -0.03 1.03 -0.06 0.00 0.48 0.00 0.00 55.95 57.38 2br7 s SER 132 Cb 0.09 -1.54 -0.13 0.00 0.10 0.00 0.00 66.02 64.54 2br7 s SER 132 CO 0.81 -4.45 1.27 -0.08 0.98 0.00 0.00 173.24 171.77 2br7 h GLU 133 N -2.80 0.44 -0.00 4.02 4.81 -1.91 -3.20 114.58 115.93 2br7 h GLU 133 Ca -0.51 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.23 2br7 h GLU 133 Cb 1.33 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.85 2br7 h GLU 133 CO 0.41 1.15 0.00 -0.85 -0.73 0.00 0.00 179.01 178.99 2br7 n GLU 134 N -3.74 1.01 0.00 1.92 0.00 -1.26 -4.99 120.64 113.57 2br7 n GLU 134 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.07 2br7 n GLU 134 Cb 0.86 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.82 2br7 n GLU 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2br7 n GLY 135 N 0.99 0.10 3.27 -1.84 0.00 -1.21 -4.92 105.19 101.58 2br7 n GLY 135 Ca 0.23 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 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 1.08 -0.06 1.61 0.11 0.11 -4.57 120.40 118.67 2br7 s VAL 136 Ca 0.00 -2.04 0.03 0.00 -2.93 0.00 0.00 61.98 57.04 2br7 s VAL 136 Cb 0.00 -2.03 0.01 0.00 -1.53 0.00 0.00 36.38 32.83 2br7 s VAL 136 CO 0.00 -0.59 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.13 2br7 s THR 137 N -3.39 1.35 -0.01 5.04 2.01 -1.26 -1.03 115.64 118.35 2br7 s THR 137 Ca 0.21 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 2br7 s THR 137 Cb 0.04 -1.20 0.00 0.00 0.01 0.00 0.00 72.50 71.35 2br7 s THR 137 CO 0.03 0.40 0.15 0.00 -0.69 0.00 0.00 174.62 174.51 2br7 s ALA 139 N -1.15 1.25 -0.09 0.00 0.00 -1.26 -1.15 121.76 119.35 2br7 s ALA 139 Ca -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 2br7 s ALA 139 Cb -0.06 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.05 2br7 s ALA 139 CO 0.01 0.09 0.21 0.54 0.00 0.00 0.00 175.76 176.62 2br7 s VAL 140 N -1.86 -0.06 0.18 0.00 0.11 -0.77 -4.83 120.40 113.18 2br7 s VAL 140 Ca 0.03 0.16 -0.25 0.00 -2.93 0.00 0.00 61.98 58.99 2br7 s VAL 140 Cb -0.06 -0.34 -0.08 0.00 -1.53 0.00 0.00 36.38 34.37 2br7 s VAL 140 CO 0.02 0.07 0.79 -0.54 -3.33 0.00 0.00 175.10 172.11 2br7 s LYS 141 N 1.28 4.58 -0.07 1.54 1.02 -1.26 -1.60 119.74 125.23 2br7 s LYS 141 Ca -0.09 1.18 0.05 0.00 0.02 0.00 0.00 55.97 57.13 2br7 s LYS 141 Cb -0.11 -3.23 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 2br7 s LYS 141 CO -0.08 0.55 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.60 2br7 s PHE 142 N -1.19 2.42 -0.05 3.18 0.40 -0.01 0.23 117.98 122.95 2br7 s PHE 142 Ca 0.37 -0.81 -0.31 0.00 -0.60 0.00 0.00 56.93 55.58 2br7 s PHE 142 Cb -0.23 -1.60 0.12 0.00 0.51 0.00 0.00 43.02 41.83 2br7 s PHE 142 CO 0.26 -0.28 1.26 0.20 0.70 0.00 0.00 175.22 177.36 2br7 s GLY 143 N 0.02 -0.38 0.12 4.36 0.00 -0.01 -0.45 107.32 110.97 2br7 s GLY 143 Ca -0.09 0.88 -0.34 0.00 0.00 0.00 0.00 44.72 45.17 2br7 s GLY 143 CO 0.05 0.21 1.63 -1.26 0.00 0.00 0.00 173.10 173.73 2br7 n SER 144 N -0.40 3.15 0.02 1.64 2.88 -1.26 0.32 113.62 119.97 2br7 n SER 144 Ca -0.07 1.06 -0.12 0.00 -1.33 0.00 0.00 58.87 58.41 2br7 n SER 144 Cb 0.62 -1.42 -0.09 0.00 -0.75 0.00 0.00 64.21 62.57 2br7 n SER 144 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 2br7 h TRP 145 N 6.50 -0.10 0.00 0.66 2.91 -1.86 -3.40 115.95 120.66 2br7 h TRP 145 Ca -0.46 -0.00 -0.12 0.00 1.13 0.00 0.00 58.89 59.44 2br7 h TRP 145 Cb 1.26 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.92 2br7 h TRP 145 CO 0.67 0.41 -2.00 1.33 -1.03 0.00 0.00 178.44 177.82 2br7 n VAL 146 N -4.88 0.55 -3.20 2.65 0.24 -1.26 -4.93 118.33 107.50 2br7 n VAL 146 Ca -0.08 -0.63 -0.40 0.00 -2.04 0.00 0.00 64.34 61.19 2br7 n VAL 146 Cb 0.28 -0.22 -0.07 0.00 -1.47 0.00 0.00 33.84 32.36 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 -3.16 3.34 1.03 6.34 2.02 -1.26 -5.07 117.35 120.58 2br7 s TYR 147 Ca -0.08 0.78 -0.14 0.00 -0.37 0.00 0.00 57.07 57.27 2br7 s TYR 147 Cb 0.11 -2.73 0.20 0.00 -0.40 0.00 0.00 41.96 39.14 2br7 s TYR 147 CO 0.87 -0.19 1.11 -1.54 -1.57 0.00 0.00 175.55 174.23 2br7 s SER 148 N 1.29 2.40 0.56 2.29 1.04 -1.26 -4.55 113.70 115.47 2br7 s SER 148 Ca 0.25 1.00 0.28 0.00 0.48 0.00 0.00 55.95 57.96 2br7 s SER 148 Cb -0.16 -1.55 1.47 0.00 0.10 0.00 0.00 66.02 65.89 2br7 s SER 148 CO 0.09 -3.25 1.95 1.23 0.98 0.00 0.00 173.24 174.25 2br7 h GLY 149 N -1.97 0.00 2.00 7.32 0.00 0.40 0.78 103.07 111.60 2br7 h GLY 149 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2br7 h GLY 149 CO 0.54 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.82 2br7 h PHE 150 N 0.00 0.00 0.00 5.60 0.04 -1.91 -3.38 116.94 117.28 2br7 h PHE 150 Ca 0.25 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.80 2br7 h PHE 150 Cb 1.16 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.27 2br7 h PHE 150 CO 0.00 0.00 -1.77 0.39 -0.60 0.00 0.00 178.31 176.33 2br7 n GLU 151 N -2.59 0.30 -4.54 1.51 4.71 0.17 -4.34 120.64 115.85 2br7 n GLU 151 Ca 0.04 0.12 -0.33 0.00 -0.01 0.00 0.00 57.16 56.98 2br7 n GLU 151 Cb 0.41 -1.03 -0.16 0.00 -1.01 0.00 0.00 31.44 29.66 2br7 n GLU 151 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2br7 s ILE 152 N -2.25 2.31 -0.05 -3.67 1.01 -0.61 -1.65 121.20 116.28 2br7 s ILE 152 Ca -0.19 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.61 2br7 s ILE 152 Cb 0.07 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 2br7 s ILE 152 CO 0.25 0.53 -0.18 -0.62 0.00 0.00 0.00 174.94 174.92 2br7 s ASP 153 N 0.88 3.68 0.27 3.58 2.15 -0.51 -4.22 116.67 122.50 2br7 s ASP 153 Ca -0.05 -0.31 0.05 0.00 0.43 0.00 0.00 52.55 52.67 2br7 s ASP 153 Cb -0.15 -0.83 -0.02 0.00 -0.30 0.00 0.00 42.92 41.62 2br7 s ASP 153 CO -0.02 0.31 0.40 -0.76 -0.17 0.00 0.00 175.17 174.92 2br7 s LEU 154 N -0.50 4.21 -0.01 -1.34 1.02 -1.26 -0.62 118.68 120.18 2br7 s LEU 154 Ca 0.06 0.02 -0.29 0.00 0.02 0.00 0.00 54.13 53.94 2br7 s LEU 154 Cb -0.12 -2.85 0.08 0.00 0.02 0.00 0.00 46.19 43.33 2br7 s LEU 154 CO 0.01 -0.18 0.72 -0.75 0.02 0.00 0.00 176.35 176.17 2br7 s LYS 155 N -4.05 1.03 0.09 1.70 2.20 -1.04 -4.90 119.74 114.76 2br7 s LYS 155 Ca 0.37 -0.00 0.03 0.00 -0.36 0.00 0.00 55.97 56.01 2br7 s LYS 155 Cb -0.09 0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 2br7 s LYS 155 CO 0.30 -0.37 -0.08 0.95 -0.36 0.00 0.00 175.35 175.78 2br7 s THR 156 N -2.03 0.77 -0.33 3.43 -4.23 -1.26 -1.45 115.64 110.54 2br7 s THR 156 Ca -0.05 -1.63 0.23 0.00 -1.18 0.00 0.00 61.69 59.06 2br7 s THR 156 Cb -0.00 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 2br7 s THR 156 CO 0.01 -0.64 1.08 0.47 -0.54 0.00 0.00 174.62 175.00 2br7 n ASP 157 N 0.53 0.79 -3.84 3.99 8.00 -1.26 -4.91 116.55 119.84 2br7 n ASP 157 Ca -0.16 0.25 -0.10 0.00 0.71 0.00 0.00 54.79 55.49 2br7 n ASP 157 Cb 0.58 0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 42.08 2br7 n ASP 157 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2br7 s THR 158 N -3.32 0.05 -2.06 -3.53 -1.32 -1.26 -5.03 115.64 99.17 2br7 s THR 158 Ca 0.01 -1.07 0.19 0.00 -1.21 0.00 0.00 61.69 59.60 2br7 s THR 158 Cb 0.11 -1.66 0.29 0.00 -1.51 0.00 0.00 72.50 69.72 2br7 s THR 158 CO 0.78 -0.24 1.22 -0.90 -2.21 0.00 0.00 174.62 173.27 2br7 n ASP 159 N -0.26 2.95 -4.69 8.08 5.75 -1.26 -4.84 116.55 122.27 2br7 n ASP 159 Ca -0.09 -1.87 -0.40 0.00 -0.01 0.00 0.00 54.79 52.42 2br7 n ASP 159 Cb 0.63 -0.15 -0.05 0.00 -1.03 0.00 0.00 41.12 40.52 2br7 n ASP 159 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2br7 s GLN 160 N -1.35 4.35 0.19 0.11 -1.52 -1.26 0.86 119.66 121.04 2br7 s GLN 160 Ca 0.28 0.85 -0.30 0.00 -1.95 0.00 0.00 55.36 54.24 2br7 s GLN 160 Cb 0.17 -3.50 -0.08 0.00 -0.22 0.00 0.00 33.01 29.38 2br7 s GLN 160 CO 0.25 -0.09 1.02 0.08 -0.25 0.00 0.00 175.29 176.30 2br7 s VAL 161 N 1.35 4.04 -0.45 1.09 1.01 -0.95 -4.84 120.40 121.65 2br7 s VAL 161 Ca 0.36 1.84 -0.28 0.00 0.00 0.00 0.00 61.98 63.90 2br7 s VAL 161 Cb -0.17 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 2br7 s VAL 161 CO 0.15 0.35 1.75 -0.62 0.00 0.00 0.00 175.10 176.73 2br7 s ASP 162 N -0.43 5.74 -0.03 3.32 -1.08 -0.55 -4.85 116.67 118.79 2br7 s ASP 162 Ca 0.46 0.87 0.20 0.00 -0.52 0.00 0.00 52.55 53.55 2br7 s ASP 162 Cb -0.27 -2.53 0.60 0.00 -1.46 0.00 0.00 42.92 39.26 2br7 s ASP 162 CO 0.34 -1.90 1.51 0.18 0.52 0.00 0.00 175.17 175.81 2br7 n LEU 163 N 10.92 3.96 -0.35 -1.34 4.77 -1.26 -2.71 117.00 130.99 2br7 n LEU 163 Ca 0.21 -2.12 0.02 0.00 -0.03 0.00 0.00 56.01 54.09 2br7 n LEU 163 Cb 0.49 -0.47 0.16 0.00 -2.33 0.00 0.00 43.42 41.27 2br7 n LEU 163 CO 0.70 0.90 1.24 0.77 -1.33 0.00 0.00 177.39 179.67 2br7 h SER 164 N 3.80 0.96 -0.55 -1.43 4.64 -1.88 -2.30 113.55 116.79 2br7 h SER 164 Ca 0.00 0.01 -0.36 0.00 -0.47 0.00 0.00 61.79 60.97 2br7 h SER 164 Cb 1.06 -0.19 -0.23 0.00 -0.31 0.00 0.00 62.40 62.73 2br7 h SER 164 CO 0.05 0.61 -0.19 -1.54 -0.87 0.00 0.00 176.83 174.90 2br7 n SER 165 N -4.55 3.94 -4.76 4.97 3.41 -1.26 -5.00 113.62 110.37 2br7 n SER 165 Ca 0.14 -3.79 -0.41 0.00 -0.26 0.00 0.00 58.87 54.55 2br7 n SER 165 Cb 0.18 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 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 -3.45 2.99 -0.20 7.33 5.04 -0.87 -4.60 117.35 123.60 2br7 s TYR 166 Ca 0.49 1.17 -0.28 0.00 -2.44 0.00 0.00 57.07 56.01 2br7 s TYR 166 Cb 0.42 -3.79 -0.05 0.00 0.35 0.00 0.00 41.96 38.89 2br7 s TYR 166 CO 0.00 -2.43 2.20 -0.47 -1.34 0.00 0.00 175.55 173.51 2br7 s TYR 167 N -0.48 1.17 0.30 4.97 5.04 0.14 -4.86 117.35 123.63 2br7 s TYR 167 Ca 0.55 0.45 0.06 0.00 -2.44 0.00 0.00 57.07 55.69 2br7 s TYR 167 Cb -0.42 -3.96 0.74 0.00 0.35 0.00 0.00 41.96 38.68 2br7 s TYR 167 CO 0.48 -4.22 1.77 0.00 -1.34 0.00 0.00 175.55 172.25 2br7 h ALA 168 N 14.67 1.66 -0.71 3.97 0.00 -1.91 -2.15 119.26 134.79 2br7 h ALA 168 Ca -0.42 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2br7 h ALA 168 Cb 1.24 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 2br7 h ALA 168 CO 0.96 -0.06 0.21 0.43 0.00 0.00 0.00 179.25 180.78 2br7 n SER 169 N -4.78 5.13 -4.66 0.00 7.64 -1.26 -5.00 113.62 110.69 2br7 n SER 169 Ca 0.23 -3.15 -0.39 0.00 1.01 0.00 0.00 58.87 56.57 2br7 n SER 169 Cb 0.58 -0.74 0.03 0.00 -1.01 0.00 0.00 64.21 63.08 2br7 n SER 169 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2br7 n SER 170 N 0.06 1.68 0.31 6.43 2.88 -0.81 -4.86 113.62 119.31 2br7 n SER 170 Ca 0.38 0.96 0.19 0.00 -1.33 0.00 0.00 58.87 59.07 2br7 n SER 170 Cb 1.35 -1.45 1.03 0.00 -0.75 0.00 0.00 64.21 64.39 2br7 n SER 170 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2br7 h LYS 171 N 1.29 0.00 -5.47 -1.46 1.79 -1.91 -3.42 116.57 107.38 2br7 h LYS 171 Ca -0.48 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.43 2br7 h LYS 171 Cb 1.33 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.68 2br7 h LYS 171 CO 0.56 0.00 -0.84 0.71 -1.08 0.00 0.00 179.45 178.80 2br7 s TYR 172 N -4.04 1.66 -0.18 -1.35 2.02 -1.26 -2.25 117.35 111.95 2br7 s TYR 172 Ca -0.04 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.20 2br7 s TYR 172 Cb 0.11 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.54 2br7 s TYR 172 CO 0.34 -0.11 0.01 -2.00 -1.57 0.00 0.00 175.55 172.22 2br7 s GLU 173 N -0.15 3.73 -0.38 -0.62 2.12 0.77 -4.82 118.70 119.35 2br7 s GLU 173 Ca 0.01 -0.47 -0.28 0.00 0.36 0.00 0.00 54.97 54.58 2br7 s GLU 173 Cb -0.09 -3.07 0.02 0.00 0.26 0.00 0.00 34.13 31.25 2br7 s GLU 173 CO 0.01 0.15 1.06 0.42 -0.54 0.00 0.00 175.26 176.36 2br7 s ILE 174 N 0.64 4.43 -0.04 -3.70 -1.09 -1.26 -1.70 121.20 118.48 2br7 s ILE 174 Ca 0.00 1.45 -0.22 0.00 -2.23 0.00 0.00 60.65 59.65 2br7 s ILE 174 Cb -0.14 -4.46 -0.27 0.00 -1.58 0.00 0.00 42.46 36.01 2br7 s ILE 174 CO 0.02 -0.66 0.97 -0.07 -1.23 0.00 0.00 174.94 173.97 2br7 h LEU 175 N 10.44 0.41 -7.08 2.97 3.38 -0.72 -3.48 115.31 121.24 2br7 h LEU 175 Ca -0.22 -0.86 -0.06 0.00 0.09 0.00 0.00 57.88 56.82 2br7 h LEU 175 Cb 1.06 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 41.50 2br7 h LEU 175 CO 1.05 1.23 0.12 -0.94 0.09 0.00 0.00 178.44 180.00 2br7 s SER 176 N -6.73 -0.58 -0.03 -0.43 1.04 -0.57 -4.98 113.70 101.42 2br7 s SER 176 Ca -0.14 0.56 -0.01 0.00 0.48 0.00 0.00 55.95 56.84 2br7 s SER 176 Cb 0.01 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.67 2br7 s SER 176 CO 0.80 -0.62 0.03 0.00 0.98 0.00 0.00 173.24 174.43 2br7 s ALA 177 N -1.46 0.24 0.09 5.32 0.00 -1.26 -0.42 121.76 124.26 2br7 s ALA 177 Ca -0.10 0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.15 2br7 s ALA 177 Cb -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2br7 s ALA 177 CO 0.07 -0.24 -0.23 0.99 0.00 0.00 0.00 175.76 176.36 2br7 s THR 178 N 1.45 1.86 -0.19 0.00 2.01 0.16 -2.24 115.64 118.69 2br7 s THR 178 Ca -0.04 -1.48 -0.04 0.00 0.31 0.00 0.00 61.69 60.44 2br7 s THR 178 Cb -0.13 -1.65 0.07 0.00 0.01 0.00 0.00 72.50 70.80 2br7 s THR 178 CO -0.03 0.09 0.08 0.00 -0.69 0.00 0.00 174.62 174.07 2br7 s GLN 179 N -1.66 0.28 -0.06 4.92 -2.07 0.25 -1.38 119.66 119.94 2br7 s GLN 179 Ca 0.09 -0.26 0.06 0.00 -1.82 0.00 0.00 55.36 53.42 2br7 s GLN 179 Cb -0.10 -1.86 -0.01 0.00 -1.09 0.00 0.00 33.01 29.95 2br7 s GLN 179 CO 0.04 -0.71 -0.24 0.95 -1.32 0.00 0.00 175.29 174.01 2br7 s THR 180 N 2.03 2.15 0.23 3.63 -4.23 -1.01 -4.32 115.64 114.12 2br7 s THR 180 Ca 0.02 -1.04 -0.30 0.00 -1.18 0.00 0.00 61.69 59.20 2br7 s THR 180 Cb -0.16 -1.78 -0.09 0.00 1.34 0.00 0.00 72.50 71.80 2br7 s THR 180 CO -0.12 0.57 1.31 -0.60 -0.54 0.00 0.00 174.62 175.24 2br7 s ARG 181 N -0.20 4.39 0.03 3.99 3.52 -1.26 -0.02 118.95 129.39 2br7 s ARG 181 Ca -0.02 2.09 0.01 0.00 -0.13 0.00 0.00 55.73 57.68 2br7 s ARG 181 Cb -0.13 -3.17 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2br7 s ARG 181 CO 0.03 -0.23 -0.05 -0.65 -0.81 0.00 0.00 175.30 173.59 2br7 s GLN 182 N -0.49 0.39 -0.08 5.12 -1.52 0.85 -4.92 119.66 119.01 2br7 s GLN 182 Ca 0.55 -0.60 -0.01 0.00 -1.95 0.00 0.00 55.36 53.35 2br7 s GLN 182 Cb -0.37 -0.10 -0.03 0.00 -0.22 0.00 0.00 33.01 32.28 2br7 s GLN 182 CO 0.41 0.01 -0.04 0.14 -0.25 0.00 0.00 175.29 175.56 2br7 s VAL 183 N -1.24 3.93 -0.23 1.09 -7.23 -1.26 -1.17 120.40 114.29 2br7 s VAL 183 Ca -0.11 -0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 59.66 2br7 s VAL 183 Cb -0.09 -2.64 0.07 0.00 0.56 0.00 0.00 36.38 34.29 2br7 s VAL 183 CO -0.00 0.59 0.03 -1.10 -0.31 0.00 0.00 175.10 174.31 2br7 s GLN 184 N -0.70 0.90 0.25 4.82 -1.52 0.13 -4.97 119.66 118.56 2br7 s GLN 184 Ca 0.11 -0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 52.49 2br7 s GLN 184 Cb -0.11 -2.20 -0.09 0.00 -0.22 0.00 0.00 33.01 30.39 2br7 s GLN 184 CO 0.02 -0.72 1.24 -1.01 -0.25 0.00 0.00 175.29 174.56 2br7 s HIS 185 N 1.68 3.31 0.29 0.91 3.76 -1.26 0.01 115.29 123.98 2br7 s HIS 185 Ca 0.01 1.42 0.00 0.00 -0.15 0.00 0.00 55.06 56.34 2br7 s HIS 185 Cb -0.18 -3.52 -0.00 0.00 1.11 0.00 0.00 32.58 30.00 2br7 s HIS 185 CO -0.12 -1.44 0.01 0.66 -0.85 0.00 0.00 174.74 173.00 2br7 n TYR 186 N 1.79 0.64 -0.02 1.40 4.01 -1.25 -4.92 117.16 118.81 2br7 n TYR 186 Ca 0.02 -1.44 -0.01 0.00 -0.16 0.00 0.00 57.90 56.32 2br7 n TYR 186 Cb 0.43 -0.18 -0.00 0.00 -0.31 0.00 0.00 39.34 39.28 2br7 n TYR 186 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2br7 h SER 187 N 0.71 -0.04 0.15 7.72 0.02 -1.96 -3.33 113.55 116.81 2br7 h SER 187 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2br7 h SER 187 Cb 0.73 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2br7 h SER 187 CO 0.39 0.36 0.00 0.00 -1.14 0.00 0.00 176.83 176.44 2br7 h PRO 190 N 7.59 -0.20 -6.88 0.00 0.11 -1.86 -3.30 132.00 127.46 2br7 h PRO 190 Ca -0.30 0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.27 2br7 h PRO 190 Cb 1.14 0.05 0.12 0.00 0.11 0.00 0.00 31.00 32.42 2br7 h PRO 190 CO 0.27 0.15 0.58 -0.85 -0.21 0.00 0.00 178.00 177.94 2br7 n GLU 191 N -4.90 2.11 -2.36 1.05 0.00 -1.26 -4.54 120.64 110.74 2br7 n GLU 191 Ca -0.06 0.75 -0.36 0.00 0.00 0.00 0.00 57.16 57.49 2br7 n GLU 191 Cb 0.22 -2.48 -0.02 0.00 0.00 0.00 0.00 31.44 29.17 2br7 n GLU 191 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2br7 s PRO 192 N -2.25 3.77 0.04 3.44 0.04 -1.26 -4.37 135.00 134.40 2br7 s PRO 192 Ca 0.60 1.63 0.02 0.00 0.04 0.00 0.00 61.00 63.29 2br7 s PRO 192 Cb -0.49 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 2br7 s PRO 192 CO 0.59 -0.51 0.04 0.71 0.04 0.00 0.00 177.00 177.87 2br7 s TYR 193 N -1.67 3.14 -0.07 0.56 1.51 0.10 0.94 117.35 121.86 2br7 s TYR 193 Ca 0.65 0.09 0.05 0.00 -1.01 0.00 0.00 57.07 56.85 2br7 s TYR 193 Cb -0.25 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 2br7 s TYR 193 CO 0.30 0.50 -0.24 -1.50 -1.11 0.00 0.00 175.55 173.50 2br7 s ILE 194 N -1.23 1.97 0.21 2.71 1.10 -1.26 0.19 121.20 124.89 2br7 s ILE 194 Ca 0.24 -1.00 0.02 0.00 -0.51 0.00 0.00 60.65 59.40 2br7 s ILE 194 Cb -0.12 -1.69 -0.05 0.00 0.15 0.00 0.00 42.46 40.76 2br7 s ILE 194 CO 0.16 0.55 0.02 1.51 -2.11 0.00 0.00 174.94 175.06 2br7 s ASP 195 N 0.06 1.39 -0.21 4.50 1.47 -0.32 -4.33 116.67 119.24 2br7 s ASP 195 Ca -0.09 -1.24 -0.04 0.00 1.18 0.00 0.00 52.55 52.36 2br7 s ASP 195 Cb -0.15 0.10 -0.01 0.00 -0.34 0.00 0.00 42.92 42.51 2br7 s ASP 195 CO 0.05 -0.59 -0.04 -0.69 0.68 0.00 0.00 175.17 174.58 2br7 s VAL 196 N -3.61 3.46 -0.41 2.11 1.01 0.40 -0.10 120.40 123.25 2br7 s VAL 196 Ca 0.28 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 2br7 s VAL 196 Cb 0.06 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.91 2br7 s VAL 196 CO 0.08 0.44 0.31 0.21 0.00 0.00 0.00 175.10 176.14 2br7 s ASN 197 N 1.24 6.12 -0.44 3.32 2.47 0.97 -0.83 114.94 127.79 2br7 s ASN 197 Ca 0.03 -0.90 -0.24 0.00 0.42 0.00 0.00 52.86 52.17 2br7 s ASN 197 Cb -0.14 -2.17 0.02 0.00 -1.45 0.00 0.00 41.25 37.51 2br7 s ASN 197 CO -0.01 -0.47 0.85 -0.22 -3.72 0.00 0.00 177.10 173.53 2br7 s LEU 198 N 1.71 4.13 -0.23 3.21 2.96 -0.63 -2.39 118.68 127.44 2br7 s LEU 198 Ca 0.05 0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.98 2br7 s LEU 198 Cb -0.19 -3.08 -0.02 0.00 0.50 0.00 0.00 46.19 43.40 2br7 s LEU 198 CO 0.10 -0.94 0.02 -0.69 -1.32 0.00 0.00 176.35 173.52 2br7 s VAL 199 N 3.46 3.98 -0.09 1.68 1.01 -0.48 -1.84 120.40 128.12 2br7 s VAL 199 Ca 0.33 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2br7 s VAL 199 Cb -0.11 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2br7 s VAL 199 CO 0.23 0.38 -0.18 0.68 0.00 0.00 0.00 175.10 176.22 2br7 s VAL 200 N 1.44 2.68 -0.21 2.92 -7.23 -0.30 0.40 120.40 120.09 2br7 s VAL 200 Ca 0.05 -0.82 -0.04 0.00 -1.81 0.00 0.00 61.98 59.37 2br7 s VAL 200 Cb -0.15 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 2br7 s VAL 200 CO 0.01 0.55 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.56 2br7 s LYS 201 N 0.04 3.40 0.22 4.82 2.20 0.44 -1.06 119.74 129.80 2br7 s LYS 201 Ca -0.07 -0.62 -0.04 0.00 -0.36 0.00 0.00 55.97 54.88 2br7 s LYS 201 Cb -0.15 -2.98 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 2br7 s LYS 201 CO 0.05 -0.15 0.25 -0.59 -0.36 0.00 0.00 175.35 174.55 2br7 s PHE 202 N 1.35 0.93 0.28 4.03 -0.71 -0.20 0.06 117.98 123.71 2br7 s PHE 202 Ca 0.04 -1.19 -0.11 0.00 -1.04 0.00 0.00 56.93 54.63 2br7 s PHE 202 Cb -0.14 -0.32 0.00 0.00 -1.21 0.00 0.00 43.02 41.35 2br7 s PHE 202 CO -0.02 -0.77 0.50 -0.98 -1.34 0.00 0.00 175.22 172.61 2br7 s ARG 203 N -4.06 1.67 0.84 1.99 1.70 -0.69 0.08 118.95 120.48 2br7 s ARG 203 Ca 0.34 -1.36 -0.12 0.00 -0.47 0.00 0.00 55.73 54.12 2br7 s ARG 203 Cb 0.04 0.48 0.10 0.00 -0.57 0.00 0.00 34.95 35.00 2br7 s ARG 203 CO 0.12 -0.70 1.16 0.39 -1.08 0.00 0.00 175.30 175.18 2br7 n GLU 204 N -0.43 -0.00 0.00 3.89 1.02 0.16 -0.16 120.64 125.11 2br7 n GLU 204 Ca -0.02 0.08 0.13 0.00 -0.02 0.00 0.00 57.16 57.33 2br7 n GLU 204 Cb 0.62 -2.40 0.34 0.00 -0.02 0.00 0.00 31.44 29.98 2br7 n GLU 204 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18