#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br8 n ALA 2 N 0.00 -1.39 1.13 1.69 0.00 -1.26 -4.84 120.51 115.84 2br8 n ALA 2 Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.72 2br8 n ALA 2 Cb 0.00 -4.17 0.28 0.00 0.00 0.00 0.00 19.45 15.56 2br8 n ALA 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2br8 n ASN 3 N -2.87 0.93 0.06 0.00 5.03 -1.26 -3.98 115.26 113.16 2br8 n ASN 3 Ca -0.01 -0.73 -0.12 0.00 0.87 0.00 0.00 54.58 54.59 2br8 n ASN 3 Cb 0.55 0.25 -0.06 0.00 -1.02 0.00 0.00 39.78 39.50 2br8 n ASN 3 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2br8 h LEU 4 N 0.83 -0.17 -0.71 3.41 5.85 -1.89 -0.17 115.31 122.47 2br8 h LEU 4 Ca 0.00 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.88 2br8 h LEU 4 Cb 0.52 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 2br8 h LEU 4 CO 0.00 -0.09 0.23 0.24 -0.34 0.00 0.00 178.44 178.47 2br8 h MET 5 N -0.12 0.35 -0.70 1.25 2.86 -1.97 0.11 114.93 116.70 2br8 h MET 5 Ca 0.01 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2br8 h MET 5 Cb 0.14 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 2br8 h MET 5 CO -0.04 0.23 0.45 -0.09 1.06 0.00 0.00 176.91 178.52 2br8 h ARG 6 N 0.36 0.88 0.31 1.72 2.43 -1.66 -2.60 114.38 115.81 2br8 h ARG 6 Ca 0.38 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 2br8 h ARG 6 Cb 0.59 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2br8 h ARG 6 CO -0.42 0.58 -0.15 1.25 -1.51 0.00 0.00 179.97 179.72 2br8 h LEU 7 N 0.90 -0.35 -1.25 3.80 5.85 0.63 -2.75 115.31 122.14 2br8 h LEU 7 Ca 0.27 -0.15 0.15 0.00 0.84 0.00 0.00 57.88 59.00 2br8 h LEU 7 Cb -0.05 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 2br8 h LEU 7 CO -0.08 -0.03 0.59 0.11 -0.34 0.00 0.00 178.44 178.68 2br8 h LYS 8 N -0.68 0.68 0.00 1.25 1.57 -0.87 -1.25 116.57 117.27 2br8 h LYS 8 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2br8 h LYS 8 Cb 0.47 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2br8 h LYS 8 CO 0.07 0.45 0.00 0.45 -0.57 0.00 0.00 179.45 179.85 2br8 n SER 9 N -4.58 0.00 0.11 0.86 2.88 -0.98 -1.20 113.62 110.71 2br8 n SER 9 Ca 0.18 0.60 0.08 0.00 -1.33 0.00 0.00 58.87 58.41 2br8 n SER 9 Cb 0.50 -0.10 0.43 0.00 -0.75 0.00 0.00 64.21 64.29 2br8 n SER 9 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2br8 n ASP 10 N -0.91 0.42 0.01 -3.46 5.68 -1.04 0.61 116.55 117.86 2br8 n ASP 10 Ca 0.00 0.68 -0.18 0.00 -0.50 0.00 0.00 54.79 54.79 2br8 n ASP 10 Cb 0.00 -0.74 -0.13 0.00 -1.14 0.00 0.00 41.12 39.11 2br8 n ASP 10 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2br8 h LEU 11 N 0.00 0.40 -2.13 -2.12 3.38 -1.26 -3.37 115.31 110.20 2br8 h LEU 11 Ca 0.00 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.11 2br8 h LEU 11 Cb 0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2br8 h LEU 11 CO 0.00 1.22 0.00 0.49 0.09 0.00 0.00 178.44 180.24 2br8 n PHE 12 N -4.27 0.29 -0.01 1.13 0.99 -0.11 -4.67 117.46 110.80 2br8 n PHE 12 Ca -0.12 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.45 57.12 2br8 n PHE 12 Cb 0.68 -0.01 -0.01 0.00 -1.00 0.00 0.00 39.48 39.15 2br8 n PHE 12 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2br8 n ASN 13 N 0.98 3.91 -4.74 4.37 5.03 0.20 -5.00 115.26 120.01 2br8 n ASN 13 Ca 0.13 -0.01 -0.41 0.00 0.87 0.00 0.00 54.58 55.16 2br8 n ASN 13 Cb 0.46 0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 39.20 2br8 n ASN 13 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2br8 s ARG 14 N -2.04 4.43 0.00 3.52 3.00 -1.26 -4.89 118.95 121.72 2br8 s ARG 14 Ca -0.02 2.00 0.00 0.00 -1.00 0.00 0.00 55.73 56.71 2br8 s ARG 14 Cb 0.01 -3.19 0.00 0.00 0.00 0.00 0.00 34.95 31.76 2br8 s ARG 14 CO 0.04 -0.16 0.00 0.43 0.00 0.00 0.00 175.30 175.61 2br8 n SER 15 N 2.25 0.00 -4.66 -2.12 7.64 -1.26 -4.79 113.62 110.68 2br8 n SER 15 Ca 0.04 0.00 -0.58 0.00 1.01 0.00 0.00 58.87 59.34 2br8 n SER 15 Cb 0.43 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.56 2br8 n SER 15 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2br8 n PRO 16 N 0.00 0.79 -3.99 1.43 -0.04 -1.26 -4.98 135.00 126.94 2br8 n PRO 16 Ca 0.00 0.29 -0.35 0.00 -0.04 0.00 0.00 63.50 63.40 2br8 n PRO 16 Cb 0.00 -1.90 -0.13 0.00 -0.04 0.00 0.00 33.50 31.43 2br8 n PRO 16 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2br8 s MET 17 N 2.15 3.48 -0.05 0.54 1.75 -1.26 -4.86 119.30 121.05 2br8 s MET 17 Ca 0.95 -0.58 -0.30 0.00 -1.25 0.00 0.00 55.69 54.51 2br8 s MET 17 Cb -1.15 -3.05 -0.07 0.00 2.84 0.00 0.00 34.83 33.41 2br8 s MET 17 CO 0.62 -0.11 1.87 -0.47 -0.65 0.00 0.00 175.02 176.28 2br8 s TYR 18 N 1.28 1.56 -1.64 4.11 5.04 -1.26 -4.89 117.35 121.56 2br8 s TYR 18 Ca 0.04 -0.03 0.04 0.00 -2.44 0.00 0.00 57.07 54.67 2br8 s TYR 18 Cb -0.14 -4.08 0.14 0.00 0.35 0.00 0.00 41.96 38.23 2br8 s TYR 18 CO -0.00 -4.58 1.00 -0.35 -1.34 0.00 0.00 175.55 170.27 2br8 n PRO 19 N 7.59 1.48 0.00 4.97 -0.04 -1.26 -4.82 135.00 142.92 2br8 n PRO 19 Ca 0.20 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 2br8 n PRO 19 Cb 0.43 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2br8 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2br8 n GLY 20 N 0.54 -0.39 3.85 0.55 0.00 -1.26 -5.03 105.19 103.45 2br8 n GLY 20 Ca 0.05 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 2br8 n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2br8 s PRO 21 N -2.05 1.30 0.27 1.61 0.04 -1.26 -5.06 135.00 129.84 2br8 s PRO 21 Ca 0.00 0.06 -0.06 0.00 0.04 0.00 0.00 61.00 61.04 2br8 s PRO 21 Cb 0.00 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2br8 s PRO 21 CO 0.00 -2.04 0.38 0.95 0.04 0.00 0.00 177.00 176.33 2br8 s THR 22 N -3.51 0.00 0.58 1.26 -4.23 -0.88 -4.96 115.64 103.90 2br8 s THR 22 Ca 0.65 -1.64 0.28 0.00 -1.18 0.00 0.00 61.69 59.80 2br8 s THR 22 Cb -0.11 -2.42 0.37 0.00 1.34 0.00 0.00 72.50 71.68 2br8 s THR 22 CO 0.51 0.00 2.02 0.50 -0.54 0.00 0.00 174.62 177.12 2br8 h LYS 23 N 2.30 0.00 0.00 3.99 3.64 -1.91 -1.54 116.57 123.05 2br8 h LYS 23 Ca -0.29 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 2br8 h LYS 23 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2br8 h LYS 23 CO 0.41 0.00 -0.98 -0.44 -2.27 0.00 0.00 179.45 176.17 2br8 h ASP 24 N 0.00 0.00 -2.09 4.20 3.32 -1.95 -3.39 116.42 116.51 2br8 h ASP 24 Ca 0.15 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.63 2br8 h ASP 24 Cb 0.77 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.93 2br8 h ASP 24 CO -0.00 0.12 -1.04 -0.67 -1.72 0.00 0.00 179.24 175.93 2br8 n ASP 25 N -2.77 0.44 -4.83 6.45 2.03 -0.65 -5.13 116.55 112.09 2br8 n ASP 25 Ca -0.01 -2.72 -0.30 0.00 0.52 0.00 0.00 54.79 52.28 2br8 n ASP 25 Cb 0.61 -0.63 0.08 0.00 -0.72 0.00 0.00 41.12 40.45 2br8 n ASP 25 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2br8 s PRO 26 N -1.12 2.30 -0.02 -0.67 0.04 -0.78 -2.07 135.00 132.69 2br8 s PRO 26 Ca 0.35 0.55 -0.03 0.00 0.04 0.00 0.00 61.00 61.91 2br8 s PRO 26 Cb 0.15 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2br8 s PRO 26 CO -0.12 -1.45 0.07 -1.17 0.04 0.00 0.00 177.00 174.38 2br8 s LEU 27 N -5.64 1.76 -0.17 -3.56 2.96 -0.77 -4.93 118.68 108.33 2br8 s LEU 27 Ca 0.60 -0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 54.45 2br8 s LEU 27 Cb -0.13 0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.84 2br8 s LEU 27 CO 0.53 -0.13 0.00 -0.89 -1.32 0.00 0.00 176.35 174.54 2br8 s THR 28 N -0.44 4.22 -0.15 3.68 2.01 -1.26 -0.26 115.64 123.43 2br8 s THR 28 Ca -0.05 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 2br8 s THR 28 Cb -0.03 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 2br8 s THR 28 CO 0.00 0.48 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.61 2br8 s VAL 29 N 0.40 3.12 -0.24 3.82 1.01 0.44 -4.39 120.40 124.57 2br8 s VAL 29 Ca -0.01 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 2br8 s VAL 29 Cb -0.14 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 2br8 s VAL 29 CO 0.02 0.50 0.20 -0.89 0.00 0.00 0.00 175.10 174.93 2br8 s THR 30 N 0.64 5.33 -0.10 3.92 2.01 -0.00 -1.06 115.64 126.38 2br8 s THR 30 Ca -0.06 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.21 2br8 s THR 30 Cb -0.15 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2br8 s THR 30 CO 0.03 0.31 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.85 2br8 s LEU 31 N 1.24 2.32 0.06 4.42 2.96 0.18 -1.99 118.68 127.87 2br8 s LEU 31 Ca 0.09 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2br8 s LEU 31 Cb -0.14 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2br8 s LEU 31 CO 0.06 0.19 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.39 2br8 s GLY 32 N 0.19 0.57 0.11 7.98 0.00 -0.50 -4.34 107.32 111.35 2br8 s GLY 32 Ca -0.12 -1.02 0.11 0.00 0.00 0.00 0.00 44.72 43.69 2br8 s GLY 32 CO 0.07 -1.10 -0.27 -1.36 0.00 0.00 0.00 173.10 170.44 2br8 s PHE 33 N -2.53 2.31 -0.26 1.90 0.08 -1.26 -0.74 117.98 117.48 2br8 s PHE 33 Ca -0.00 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.68 2br8 s PHE 33 Cb -0.02 -1.28 0.07 0.00 -0.57 0.00 0.00 43.02 41.22 2br8 s PHE 33 CO -0.03 0.30 -0.04 0.99 -0.10 0.00 0.00 175.22 176.34 2br8 s THR 34 N -1.01 1.78 -0.17 0.64 2.01 -0.44 -1.46 115.64 116.99 2br8 s THR 34 Ca 0.14 -1.54 -0.29 0.00 0.31 0.00 0.00 61.69 60.31 2br8 s THR 34 Cb -0.10 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 2br8 s THR 34 CO 0.05 -0.21 1.07 -0.22 -0.69 0.00 0.00 174.62 174.63 2br8 s LEU 35 N 1.25 4.16 -0.14 4.42 2.96 -0.69 -0.44 118.68 130.20 2br8 s LEU 35 Ca -0.03 1.49 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 2br8 s LEU 35 Cb -0.19 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.72 2br8 s LEU 35 CO -0.08 -0.62 0.26 1.67 -1.32 0.00 0.00 176.35 176.27 2br8 n GLN 36 N 5.92 0.71 -3.65 1.98 7.27 0.34 -3.75 117.38 126.21 2br8 n GLN 36 Ca 0.11 0.22 -0.04 0.00 0.07 0.00 0.00 57.00 57.37 2br8 n GLN 36 Cb 0.47 -1.67 -0.07 0.00 2.41 0.00 0.00 30.24 31.38 2br8 n GLN 36 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2br8 s ASP 37 N -6.66 -0.15 -0.53 1.69 2.15 -0.93 -0.96 116.67 111.28 2br8 s ASP 37 Ca -0.22 0.29 -0.24 0.00 0.43 0.00 0.00 52.55 52.81 2br8 s ASP 37 Cb 0.07 0.41 0.04 0.00 -0.30 0.00 0.00 42.92 43.14 2br8 s ASP 37 CO 0.74 -0.05 0.90 -0.63 -0.17 0.00 0.00 175.17 175.97 2br8 s ILE 38 N 0.24 4.46 -0.09 4.11 1.01 -1.26 -0.52 121.20 129.14 2br8 s ILE 38 Ca 0.04 0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.85 2br8 s ILE 38 Cb -0.05 -4.49 -0.07 0.00 0.01 0.00 0.00 42.46 37.86 2br8 s ILE 38 CO -0.13 -1.04 0.31 0.58 0.00 0.00 0.00 174.94 174.66 2br8 h VAL 39 N 6.01 0.40 -4.16 2.92 2.07 -1.26 -3.43 116.25 118.80 2br8 h VAL 39 Ca -0.26 -1.19 -0.54 0.00 0.82 0.00 0.00 66.70 65.53 2br8 h VAL 39 Cb 1.08 0.73 -0.26 0.00 -1.52 0.00 0.00 31.29 31.32 2br8 h VAL 39 CO 1.06 0.13 -0.83 -0.75 0.02 0.00 0.00 177.57 177.20 2br8 s LYS 40 N -2.10 1.27 -0.10 1.57 2.20 -1.17 -4.97 119.74 116.43 2br8 s LYS 40 Ca -0.06 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.74 2br8 s LYS 40 Cb -0.00 -1.32 0.01 0.00 -1.51 0.00 0.00 37.83 35.01 2br8 s LYS 40 CO 0.20 0.34 -0.16 0.08 -0.36 0.00 0.00 175.35 175.45 2br8 s VAL 41 N -0.74 1.50 -0.20 4.02 1.01 -1.26 -0.20 120.40 124.54 2br8 s VAL 41 Ca 0.06 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2br8 s VAL 41 Cb -0.08 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.97 2br8 s VAL 41 CO 0.01 0.44 -0.16 -0.62 0.00 0.00 0.00 175.10 174.77 2br8 s ASP 42 N 0.89 3.44 0.04 3.32 -1.08 -0.26 -5.00 116.67 118.01 2br8 s ASP 42 Ca -0.09 -0.84 0.11 0.00 -0.52 0.00 0.00 52.55 51.21 2br8 s ASP 42 Cb -0.15 -1.45 -0.20 0.00 -1.46 0.00 0.00 42.92 39.66 2br8 s ASP 42 CO -0.00 -0.06 0.93 0.28 0.52 0.00 0.00 175.17 176.83 2br8 h SER 43 N 7.91 0.00 -0.28 -0.34 0.02 -1.94 -3.13 113.55 115.79 2br8 h SER 43 Ca -0.37 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.42 2br8 h SER 43 Cb 1.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 2br8 h SER 43 CO 0.57 0.93 -0.41 0.77 -1.14 0.00 0.00 176.83 177.56 2br8 h SER 44 N 0.00 0.89 -1.96 3.07 4.64 -1.97 -3.41 113.55 114.80 2br8 h SER 44 Ca -0.17 -0.41 -0.48 0.00 -0.47 0.00 0.00 61.79 60.26 2br8 h SER 44 Cb 1.86 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.67 2br8 h SER 44 CO 0.09 1.18 -0.44 0.42 -0.87 0.00 0.00 176.83 177.21 2br8 s THR 45 N -4.33 4.07 -1.07 2.95 -4.23 -1.26 -5.03 115.64 106.75 2br8 s THR 45 Ca -0.10 -1.25 -0.05 0.00 -1.18 0.00 0.00 61.69 59.11 2br8 s THR 45 Cb 0.11 -3.37 0.30 0.00 1.34 0.00 0.00 72.50 70.88 2br8 s THR 45 CO 0.87 -0.23 1.34 0.59 -0.54 0.00 0.00 174.62 176.65 2br8 n ASN 46 N -1.39 6.03 -4.34 3.99 5.03 -1.26 -4.65 115.26 118.68 2br8 n ASN 46 Ca -0.04 -3.31 -0.28 0.00 0.87 0.00 0.00 54.58 51.82 2br8 n ASN 46 Cb 0.59 -1.27 -0.14 0.00 -1.02 0.00 0.00 39.78 37.93 2br8 n ASN 46 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2br8 s GLU 47 N -2.34 1.53 -0.02 3.52 2.02 -1.18 0.43 118.70 122.65 2br8 s GLU 47 Ca 0.31 -1.17 0.02 0.00 0.02 0.00 0.00 54.97 54.15 2br8 s GLU 47 Cb 0.01 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.43 2br8 s GLU 47 CO 0.05 0.45 -0.07 0.08 0.02 0.00 0.00 175.26 175.79 2br8 s VAL 48 N -0.93 0.59 -0.18 2.63 1.01 -0.36 -1.10 120.40 122.05 2br8 s VAL 48 Ca 0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 2br8 s VAL 48 Cb -0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2br8 s VAL 48 CO 0.04 0.19 0.03 -1.81 0.00 0.00 0.00 175.10 173.55 2br8 s ASP 49 N 0.23 5.30 0.05 3.32 1.11 0.73 -1.60 116.67 125.80 2br8 s ASP 49 Ca -0.03 -0.02 0.08 0.00 0.18 0.00 0.00 52.55 52.76 2br8 s ASP 49 Cb -0.07 -1.90 -0.03 0.00 1.07 0.00 0.00 42.92 41.99 2br8 s ASP 49 CO 0.00 0.15 -0.23 -0.76 1.18 0.00 0.00 175.17 175.51 2br8 s LEU 50 N 0.52 2.18 -0.18 1.23 1.43 -0.58 -0.70 118.68 122.58 2br8 s LEU 50 Ca 0.01 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 2br8 s LEU 50 Cb -0.13 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.01 2br8 s LEU 50 CO 0.02 0.19 -0.19 -0.69 0.23 0.00 0.00 176.35 175.91 2br8 s VAL 51 N -0.83 2.14 0.12 -1.59 1.01 0.32 -1.68 120.40 119.89 2br8 s VAL 51 Ca 0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 2br8 s VAL 51 Cb -0.09 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2br8 s VAL 51 CO 0.02 0.52 0.12 -0.72 0.00 0.00 0.00 175.10 175.04 2br8 s TYR 52 N 1.30 0.58 -0.21 5.22 -0.85 -0.97 -0.50 117.35 121.92 2br8 s TYR 52 Ca 0.05 -0.99 -0.04 0.00 -0.52 0.00 0.00 57.07 55.57 2br8 s TYR 52 Cb -0.13 -0.29 -0.01 0.00 0.38 0.00 0.00 41.96 41.90 2br8 s TYR 52 CO -0.12 -0.55 -0.04 0.71 -1.52 0.00 0.00 175.55 174.03 2br8 s TYR 53 N -3.98 2.97 -0.52 -3.49 2.02 0.41 -1.55 117.35 113.21 2br8 s TYR 53 Ca 0.16 -0.76 -0.17 0.00 -0.37 0.00 0.00 57.07 55.93 2br8 s TYR 53 Cb 0.06 -2.07 0.09 0.00 -0.40 0.00 0.00 41.96 39.63 2br8 s TYR 53 CO -0.03 -0.42 0.55 -2.00 -1.57 0.00 0.00 175.55 172.08 2br8 s GLU 54 N 1.22 3.04 -0.13 -0.62 2.12 -1.00 -1.32 118.70 122.01 2br8 s GLU 54 Ca 0.03 -1.27 -0.26 0.00 0.36 0.00 0.00 54.97 53.82 2br8 s GLU 54 Cb -0.14 -4.18 -0.02 0.00 0.26 0.00 0.00 34.13 30.04 2br8 s GLU 54 CO -0.01 -1.25 0.85 -1.14 -0.54 0.00 0.00 175.26 173.16 2br8 s GLN 55 N 2.16 4.36 -0.05 4.30 0.74 0.08 -3.72 119.66 127.53 2br8 s GLN 55 Ca 0.09 1.08 0.02 0.00 0.05 0.00 0.00 55.36 56.60 2br8 s GLN 55 Cb -0.24 -3.54 0.01 0.00 1.10 0.00 0.00 33.01 30.34 2br8 s GLN 55 CO 0.07 -0.24 -0.11 -0.65 -0.55 0.00 0.00 175.29 173.81 2br8 s GLN 56 N 1.82 1.37 -0.07 1.67 -0.21 -0.22 -1.40 119.66 122.61 2br8 s GLN 56 Ca 0.41 -0.37 -0.03 0.00 0.02 0.00 0.00 55.36 55.38 2br8 s GLN 56 Cb -0.17 -1.20 0.04 0.00 1.00 0.00 0.00 33.01 32.68 2br8 s GLN 56 CO 0.15 0.07 0.17 0.50 -2.12 0.00 0.00 175.29 174.06 2br8 s ARG 57 N 0.45 0.11 0.24 2.91 3.00 -0.84 -1.00 118.95 123.82 2br8 s ARG 57 Ca -0.09 0.41 0.02 0.00 -1.00 0.00 0.00 55.73 55.07 2br8 s ARG 57 Cb -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 34.95 34.64 2br8 s ARG 57 CO 0.02 -0.17 0.28 -2.67 0.00 0.00 0.00 175.30 172.76 2br8 n TRP 58 N 4.28 -0.90 -3.70 5.12 2.14 -0.89 -0.82 117.44 122.66 2br8 n TRP 58 Ca -0.25 -1.80 -0.14 0.00 2.07 0.00 0.00 57.50 57.38 2br8 n TRP 58 Cb 0.52 0.31 -0.14 0.00 -0.81 0.00 0.00 31.31 31.19 2br8 n TRP 58 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 2br8 s LYS 59 N -2.73 0.14 -0.10 -2.67 2.20 -1.26 -0.81 119.74 114.51 2br8 s LYS 59 Ca 0.24 0.57 0.04 0.00 -0.36 0.00 0.00 55.97 56.45 2br8 s LYS 59 Cb 0.00 -0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.18 2br8 s LYS 59 CO 0.17 -0.22 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.21 2br8 s LEU 60 N 1.73 2.23 0.23 5.43 1.43 0.85 -4.91 118.68 125.67 2br8 s LEU 60 Ca -0.04 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.50 2br8 s LEU 60 Cb -0.11 -1.45 0.36 0.00 0.03 0.00 0.00 46.19 45.02 2br8 s LEU 60 CO -0.08 0.18 1.78 0.78 0.23 0.00 0.00 176.35 179.25 2br8 h ASN 61 N 6.53 0.47 0.04 2.29 2.35 -1.90 -2.71 115.58 122.65 2br8 h ASN 61 Ca -0.24 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2br8 h ASN 61 Cb 1.22 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2br8 h ASN 61 CO 0.49 0.26 0.00 -1.54 -1.65 0.00 0.00 177.43 174.99 2br8 n SER 62 N -4.87 0.00 -0.20 5.81 3.41 -1.26 -1.60 113.62 114.92 2br8 n SER 62 Ca 0.12 -0.12 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 2br8 n SER 62 Cb 0.29 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 2br8 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2br8 n LEU 63 N -1.09 1.11 -4.76 1.04 4.77 -1.02 -5.03 117.00 112.03 2br8 n LEU 63 Ca 0.05 -0.73 -0.39 0.00 -0.03 0.00 0.00 56.01 54.92 2br8 n LEU 63 Cb 0.04 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2br8 n LEU 63 CO 0.05 0.23 0.96 -0.04 -1.33 0.00 0.00 177.39 177.26 2br8 s MET 64 N -1.46 3.64 -0.00 3.23 -1.94 -0.63 -4.35 119.30 117.78 2br8 s MET 64 Ca 0.08 2.16 -0.17 0.00 -1.71 0.00 0.00 55.69 56.04 2br8 s MET 64 Cb 0.08 -2.53 0.03 0.00 2.01 0.00 0.00 34.83 34.42 2br8 s MET 64 CO 0.28 -0.77 0.37 1.67 -0.01 0.00 0.00 175.02 176.56 2br8 s TRP 65 N -1.32 -0.24 -0.41 -0.03 -2.14 -0.80 -4.96 118.94 109.04 2br8 s TRP 65 Ca 0.63 0.33 -0.26 0.00 2.66 0.00 0.00 56.10 59.46 2br8 s TRP 65 Cb -0.38 0.15 0.02 0.00 -3.10 0.00 0.00 33.47 30.16 2br8 s TRP 65 CO 0.47 -0.45 0.96 0.34 -2.66 0.00 0.00 176.95 175.61 2br8 s ASP 66 N -1.48 6.62 0.44 -2.66 -1.08 -1.26 -4.74 116.67 112.50 2br8 s ASP 66 Ca -0.11 0.42 0.12 0.00 -0.52 0.00 0.00 52.55 52.46 2br8 s ASP 66 Cb -0.04 -2.47 0.96 0.00 -1.46 0.00 0.00 42.92 39.91 2br8 s ASP 66 CO 0.03 -0.97 2.00 -0.65 0.52 0.00 0.00 175.17 176.10 2br8 h PRO 67 N 8.77 0.13 -0.62 4.34 0.11 -1.92 -2.07 132.00 140.74 2br8 h PRO 67 Ca -0.23 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.98 2br8 h PRO 67 Cb 1.07 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.07 2br8 h PRO 67 CO 1.02 0.23 0.08 -0.91 -0.21 0.00 0.00 178.00 178.21 2br8 h ASN 68 N 0.13 -0.10 0.38 -2.05 -0.26 -1.92 -0.53 115.58 111.23 2br8 h ASN 68 Ca 0.03 0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2br8 h ASN 68 Cb 0.25 0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 2br8 h ASN 68 CO 0.01 -0.04 0.00 1.21 -1.06 0.00 0.00 177.43 177.55 2br8 n GLU 69 N -5.19 0.08 -3.09 0.81 4.07 -0.78 -3.90 120.64 112.64 2br8 n GLU 69 Ca 0.09 0.42 -0.20 0.00 -0.06 0.00 0.00 57.16 57.41 2br8 n GLU 69 Cb 0.35 -1.68 -0.03 0.00 -0.06 0.00 0.00 31.44 30.02 2br8 n GLU 69 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2br8 n TYR 70 N -1.84 1.31 -3.40 4.31 4.01 -0.34 -4.98 117.16 116.23 2br8 n TYR 70 Ca 0.02 -3.82 -0.25 0.00 -0.16 0.00 0.00 57.90 53.69 2br8 n TYR 70 Cb 0.13 -0.43 0.01 0.00 -0.31 0.00 0.00 39.34 38.74 2br8 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2br8 n GLY 71 N 0.11 -0.50 3.70 2.72 0.00 -1.22 -1.23 105.19 108.77 2br8 n GLY 71 Ca 0.26 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 2br8 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2br8 n ASN 72 N -2.48 -5.11 -4.60 1.61 5.03 -0.42 -4.83 115.26 104.47 2br8 n ASN 72 Ca -0.03 -0.64 -0.41 0.00 0.87 0.00 0.00 54.58 54.37 2br8 n ASN 72 Cb 0.56 -4.08 -0.06 0.00 -1.02 0.00 0.00 39.78 35.17 2br8 n ASN 72 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2br8 s ILE 73 N -3.24 4.90 -0.12 2.41 1.01 -0.37 -4.95 121.20 120.84 2br8 s ILE 73 Ca 0.59 0.87 0.20 0.00 0.00 0.00 0.00 60.65 62.31 2br8 s ILE 73 Cb -0.29 -4.05 -0.23 0.00 0.01 0.00 0.00 42.46 37.91 2br8 s ILE 73 CO 0.72 -0.20 0.53 0.35 0.00 0.00 0.00 174.94 176.34 2br8 n THR 74 N 5.47 0.73 -3.72 2.92 -2.24 -1.26 -4.48 114.28 111.69 2br8 n THR 74 Ca -0.00 -0.65 -0.10 0.00 -2.27 0.00 0.00 64.05 61.04 2br8 n THR 74 Cb 0.49 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 2br8 n THR 74 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2br8 s ASP 75 N -5.18 -0.25 0.11 3.42 1.47 -1.26 -0.42 116.67 114.55 2br8 s ASP 75 Ca -0.06 -0.46 -0.13 0.00 1.18 0.00 0.00 52.55 53.08 2br8 s ASP 75 Cb 0.10 0.55 0.02 0.00 -0.34 0.00 0.00 42.92 43.25 2br8 s ASP 75 CO 0.85 -1.00 0.31 0.72 0.68 0.00 0.00 175.17 176.73 2br8 s PHE 76 N -3.86 -0.05 -0.15 2.11 -0.12 0.15 -4.99 117.98 111.05 2br8 s PHE 76 Ca 0.08 -0.30 -0.10 0.00 -0.05 0.00 0.00 56.93 56.56 2br8 s PHE 76 Cb -0.00 0.12 -0.05 0.00 -0.63 0.00 0.00 43.02 42.46 2br8 s PHE 76 CO -0.05 -0.63 0.19 1.03 -0.05 0.00 0.00 175.22 175.72 2br8 s ARG 77 N -3.78 3.97 0.04 1.99 1.81 -1.26 -0.84 118.95 120.88 2br8 s ARG 77 Ca 0.03 -0.07 -0.02 0.00 -1.72 0.00 0.00 55.73 53.95 2br8 s ARG 77 Cb 0.03 -3.34 -0.03 0.00 -0.45 0.00 0.00 34.95 31.16 2br8 s ARG 77 CO -0.11 0.45 0.00 -0.08 -0.68 0.00 0.00 175.30 174.88 2br8 s THR 78 N -0.12 0.17 0.40 0.02 -1.32 -0.83 -4.98 115.64 108.97 2br8 s THR 78 Ca 0.13 -1.39 -0.27 0.00 -1.21 0.00 0.00 61.69 58.95 2br8 s THR 78 Cb -0.12 -1.04 -0.10 0.00 -1.51 0.00 0.00 72.50 69.73 2br8 s THR 78 CO 0.02 -0.77 1.40 -0.94 -2.21 0.00 0.00 174.62 172.12 2br8 s SER 79 N -2.36 6.27 0.54 8.08 1.04 -1.26 -0.49 113.70 125.52 2br8 s SER 79 Ca -0.02 2.86 0.34 0.00 0.48 0.00 0.00 55.95 59.61 2br8 s SER 79 Cb 0.01 -2.65 1.84 0.00 0.10 0.00 0.00 66.02 65.31 2br8 s SER 79 CO -0.06 -0.90 2.03 0.00 0.98 0.00 0.00 173.24 175.28 2br8 h ALA 80 N 2.79 1.06 -0.07 5.32 0.00 -1.40 -1.72 119.26 125.24 2br8 h ALA 80 Ca -0.50 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 2br8 h ALA 80 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2br8 h ALA 80 CO 0.63 -0.06 -0.61 0.00 0.00 0.00 0.00 179.25 179.22 2br8 h ALA 81 N 1.86 0.84 0.00 0.00 0.00 -1.90 -3.04 119.26 117.01 2br8 h ALA 81 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2br8 h ALA 81 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2br8 h ALA 81 CO 0.00 0.73 0.00 -0.25 0.00 0.00 0.00 179.25 179.73 2br8 n ASP 82 N -3.87 0.00 -4.16 0.00 8.00 -0.65 -4.81 116.55 111.06 2br8 n ASP 82 Ca -0.02 0.25 -0.10 0.00 0.71 0.00 0.00 54.79 55.62 2br8 n ASP 82 Cb 0.62 -0.35 -0.10 0.00 -0.02 0.00 0.00 41.12 41.27 2br8 n ASP 82 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2br8 s ILE 83 N -2.70 0.43 0.36 0.53 -4.36 -1.15 -5.02 121.20 109.28 2br8 s ILE 83 Ca 0.08 -1.91 -0.27 0.00 -0.26 0.00 0.00 60.65 58.29 2br8 s ILE 83 Cb 0.07 -1.85 -0.09 0.00 1.25 0.00 0.00 42.46 41.84 2br8 s ILE 83 CO 0.16 -0.70 1.26 0.86 0.24 0.00 0.00 174.94 176.76 2br8 s TRP 84 N -3.81 3.04 0.00 1.37 -0.00 -1.26 -4.96 118.94 113.32 2br8 s TRP 84 Ca 0.17 1.47 0.01 0.00 -0.00 0.00 0.00 56.10 57.76 2br8 s TRP 84 Cb 0.07 -3.58 -0.01 0.00 -0.00 0.00 0.00 33.47 29.95 2br8 s TRP 84 CO -0.02 -1.67 -0.05 0.95 -0.00 0.00 0.00 176.95 176.15 2br8 s THR 85 N -1.23 0.38 0.86 5.86 -4.23 -1.26 -5.09 115.64 110.93 2br8 s THR 85 Ca 0.52 -0.36 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 2br8 s THR 85 Cb -0.37 -0.35 0.11 0.00 1.34 0.00 0.00 72.50 73.24 2br8 s THR 85 CO 0.48 0.00 1.11 -2.84 -0.54 0.00 0.00 174.62 172.83 2br8 s PRO 86 N -0.39 1.47 -0.71 3.99 0.02 -1.26 -4.90 135.00 133.22 2br8 s PRO 86 Ca -0.01 1.27 -0.02 0.00 0.02 0.00 0.00 61.00 62.26 2br8 s PRO 86 Cb -0.03 -1.80 0.36 0.00 0.02 0.00 0.00 34.50 33.05 2br8 s PRO 86 CO -0.00 -2.22 2.09 -0.40 -0.33 0.00 0.00 177.00 176.13 2br8 n ASP 87 N -3.93 7.47 -4.65 2.53 5.75 -1.26 -4.99 116.55 117.48 2br8 n ASP 87 Ca 0.10 -3.72 -0.43 0.00 -0.01 0.00 0.00 54.79 50.73 2br8 n ASP 87 Cb 0.53 -1.04 -0.03 0.00 -1.03 0.00 0.00 41.12 39.55 2br8 n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2br8 s ILE 88 N -4.59 3.71 0.04 2.12 -1.09 -1.26 -2.97 121.20 117.15 2br8 s ILE 88 Ca 0.57 0.84 0.09 0.00 -2.23 0.00 0.00 60.65 59.92 2br8 s ILE 88 Cb 0.45 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 2br8 s ILE 88 CO -0.20 -0.14 -0.25 -0.89 -1.23 0.00 0.00 174.94 172.23 2br8 s THR 89 N 4.38 2.27 0.14 2.92 2.01 0.10 -4.87 115.64 122.58 2br8 s THR 89 Ca 0.70 -1.32 -0.31 0.00 0.31 0.00 0.00 61.69 61.08 2br8 s THR 89 Cb -0.29 -1.89 -0.10 0.00 0.01 0.00 0.00 72.50 70.24 2br8 s THR 89 CO 0.27 0.39 1.60 0.00 -0.69 0.00 0.00 174.62 176.19 2br8 s ALA 90 N -0.81 3.76 -0.76 7.40 0.00 -1.26 -1.04 121.76 129.04 2br8 s ALA 90 Ca 0.12 1.33 0.26 0.00 0.00 0.00 0.00 51.96 53.68 2br8 s ALA 90 Cb -0.10 -3.64 0.79 0.00 0.00 0.00 0.00 23.12 20.17 2br8 s ALA 90 CO 0.02 -0.87 1.72 0.66 0.00 0.00 0.00 175.76 177.29 2br8 n TYR 91 N 4.43 0.73 -1.94 0.00 4.01 0.20 -4.23 117.16 120.35 2br8 n TYR 91 Ca 0.14 0.21 0.05 0.00 -0.16 0.00 0.00 57.90 58.14 2br8 n TYR 91 Cb 0.39 -0.82 0.10 0.00 -0.31 0.00 0.00 39.34 38.70 2br8 n TYR 91 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2br8 n SER 92 N -2.12 1.27 -4.66 7.72 3.41 -1.26 -5.01 113.62 112.97 2br8 n SER 92 Ca 0.05 -2.80 -0.30 0.00 -0.26 0.00 0.00 58.87 55.57 2br8 n SER 92 Cb 0.42 -0.38 0.17 0.00 -0.26 0.00 0.00 64.21 64.15 2br8 n SER 92 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2br8 s SER 93 N -2.40 2.87 0.00 4.04 1.04 -1.26 -1.68 113.70 116.31 2br8 s SER 93 Ca 0.30 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.64 2br8 s SER 93 Cb 0.31 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2br8 s SER 93 CO -0.09 -3.09 0.33 0.35 0.98 0.00 0.00 173.24 171.73 2br8 n THR 94 N -4.21 0.09 -3.72 2.02 -2.24 -0.29 -4.80 114.28 101.13 2br8 n THR 94 Ca 0.09 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 2br8 n THR 94 Cb 0.53 1.39 -0.08 0.00 -2.10 0.00 0.00 70.33 70.06 2br8 n THR 94 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2br8 s ARG 95 N -0.09 0.74 0.28 -0.78 0.52 -1.26 -5.06 118.95 113.30 2br8 s ARG 95 Ca 0.00 -0.10 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 2br8 s ARG 95 Cb 0.00 0.33 -0.11 0.00 0.52 0.00 0.00 34.95 35.69 2br8 s ARG 95 CO 0.00 -0.21 1.53 -2.14 0.02 0.00 0.00 175.30 174.50 2br8 s PRO 96 N -1.28 4.18 0.80 3.54 0.02 -1.26 -4.66 135.00 136.34 2br8 s PRO 96 Ca -0.13 2.47 -0.13 0.00 0.02 0.00 0.00 61.00 63.23 2br8 s PRO 96 Cb -0.04 -3.05 0.08 0.00 0.02 0.00 0.00 34.50 31.50 2br8 s PRO 96 CO 0.05 -0.55 1.21 0.14 -0.33 0.00 0.00 177.00 177.53 2br8 s VAL 97 N -0.05 2.01 -0.14 3.83 -7.23 -1.26 -4.91 120.40 112.65 2br8 s VAL 97 Ca 0.61 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.81 2br8 s VAL 97 Cb -0.45 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.07 2br8 s VAL 97 CO 0.47 -0.00 -0.22 -1.10 -0.31 0.00 0.00 175.10 173.93 2br8 s GLN 98 N -4.10 3.02 -0.12 4.82 -0.21 -0.78 -4.98 119.66 117.30 2br8 s GLN 98 Ca 0.74 -0.85 -0.29 0.00 0.02 0.00 0.00 55.36 54.97 2br8 s GLN 98 Cb -0.29 -2.44 -0.01 0.00 1.00 0.00 0.00 33.01 31.27 2br8 s GLN 98 CO 0.50 -0.02 1.05 0.08 -2.12 0.00 0.00 175.29 174.79 2br8 s VAL 99 N 0.83 4.66 -1.37 1.09 1.01 -1.26 -1.63 120.40 123.72 2br8 s VAL 99 Ca -0.07 1.95 0.18 0.00 0.00 0.00 0.00 61.98 64.04 2br8 s VAL 99 Cb -0.15 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.90 2br8 s VAL 99 CO -0.02 -0.04 0.86 0.18 0.00 0.00 0.00 175.10 176.08 2br8 n LEU 100 N 5.36 1.43 -4.28 3.92 4.32 0.08 -4.99 117.00 122.83 2br8 n LEU 100 Ca 0.10 -0.67 -0.15 0.00 -0.02 0.00 0.00 56.01 55.27 2br8 n LEU 100 Cb 0.48 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.17 2br8 n LEU 100 CO 0.53 0.29 -0.26 -0.94 -1.22 0.00 0.00 177.39 175.78 2br8 s SER 101 N -2.28 1.00 0.50 -1.43 1.04 -1.24 -4.92 113.70 106.38 2br8 s SER 101 Ca 0.12 -1.36 -0.22 0.00 0.48 0.00 0.00 55.95 54.97 2br8 s SER 101 Cb 0.14 0.20 -0.06 0.00 0.10 0.00 0.00 66.02 66.40 2br8 s SER 101 CO 0.55 -0.73 1.24 -2.84 0.98 0.00 0.00 173.24 172.44 2br8 s PRO 102 N -4.04 3.45 -1.01 4.02 0.02 -1.26 -4.82 135.00 131.37 2br8 s PRO 102 Ca 0.36 1.95 -0.04 0.00 0.02 0.00 0.00 61.00 63.29 2br8 s PRO 102 Cb 0.07 -2.30 0.26 0.00 0.02 0.00 0.00 34.50 32.55 2br8 s PRO 102 CO 0.12 -0.85 1.06 1.04 -0.33 0.00 0.00 177.00 178.04 2br8 n GLN 103 N -0.80 3.37 -4.84 5.54 6.02 -1.26 -4.80 117.38 120.62 2br8 n GLN 103 Ca 0.09 -4.50 -0.31 0.00 -0.01 0.00 0.00 57.00 52.27 2br8 n GLN 103 Cb 0.47 -2.48 -0.14 0.00 1.02 0.00 0.00 30.24 29.12 2br8 n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2br8 s ILE 104 N -1.73 2.42 0.24 5.09 1.01 -1.26 -1.03 121.20 125.94 2br8 s ILE 104 Ca 0.31 -1.27 0.08 0.00 0.00 0.00 0.00 60.65 59.77 2br8 s ILE 104 Cb -0.04 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 2br8 s ILE 104 CO -0.05 0.38 -0.13 0.00 0.00 0.00 0.00 174.94 175.14 2br8 s ALA 105 N -0.84 2.22 -0.18 9.38 0.00 0.35 -4.52 121.76 128.19 2br8 s ALA 105 Ca 0.13 -1.76 -0.03 0.00 0.00 0.00 0.00 51.96 50.29 2br8 s ALA 105 Cb -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2br8 s ALA 105 CO 0.03 0.06 -0.06 0.54 0.00 0.00 0.00 175.76 176.33 2br8 s VAL 106 N -2.91 3.52 -0.19 0.00 0.11 -0.36 -1.97 120.40 118.60 2br8 s VAL 106 Ca 0.26 -0.47 -0.05 0.00 -2.93 0.00 0.00 61.98 58.78 2br8 s VAL 106 Cb -0.00 -2.55 -0.03 0.00 -1.53 0.00 0.00 36.38 32.27 2br8 s VAL 106 CO 0.09 0.47 0.01 -0.69 -3.33 0.00 0.00 175.10 171.65 2br8 s VAL 107 N 0.80 4.12 0.18 2.04 1.01 -0.02 -1.47 120.40 127.06 2br8 s VAL 107 Ca -0.02 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.75 2br8 s VAL 107 Cb -0.15 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2br8 s VAL 107 CO 0.02 0.44 0.18 -0.89 0.00 0.00 0.00 175.10 174.85 2br8 s THR 108 N 0.75 4.64 0.56 3.92 2.01 0.45 -0.68 115.64 127.30 2br8 s THR 108 Ca 0.01 -1.05 0.42 0.00 0.31 0.00 0.00 61.69 61.37 2br8 s THR 108 Cb -0.14 -3.40 0.43 0.00 0.01 0.00 0.00 72.50 69.41 2br8 s THR 108 CO 0.02 -0.14 2.30 1.12 -0.69 0.00 0.00 174.62 177.23 2br8 h HIS 109 N 2.21 0.00 -0.04 4.92 2.07 -1.05 0.17 115.15 123.42 2br8 h HIS 109 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2br8 h HIS 109 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2br8 h HIS 109 CO 0.56 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.03 2br8 n ASP 110 N -3.13 0.33 0.00 3.10 5.68 -1.26 -1.91 116.55 119.36 2br8 n ASP 110 Ca -0.02 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 2br8 n ASP 110 Cb 0.11 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2br8 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2br8 n GLY 111 N 0.79 0.75 3.81 6.12 0.00 0.58 -4.74 105.19 112.51 2br8 n GLY 111 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2br8 n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2br8 s SER 112 N -2.52 7.08 -0.02 1.61 1.04 -1.21 -0.11 113.70 119.59 2br8 s SER 112 Ca 0.00 1.52 0.06 0.00 0.48 0.00 0.00 55.95 58.01 2br8 s SER 112 Cb 0.00 -2.46 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 2br8 s SER 112 CO 0.00 -0.05 -0.20 -0.69 0.98 0.00 0.00 173.24 173.28 2br8 s VAL 113 N -1.64 1.60 0.08 5.02 1.01 0.01 -0.41 120.40 126.06 2br8 s VAL 113 Ca 0.47 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.66 2br8 s VAL 113 Cb -0.16 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2br8 s VAL 113 CO 0.21 0.45 -0.18 -0.32 0.00 0.00 0.00 175.10 175.26 2br8 s MET 114 N -0.46 1.03 -0.26 2.72 0.00 -0.54 -2.09 119.30 119.69 2br8 s MET 114 Ca 0.08 -1.03 -0.08 0.00 0.00 0.00 0.00 55.69 54.65 2br8 s MET 114 Cb -0.08 -1.17 0.12 0.00 0.00 0.00 0.00 34.83 33.70 2br8 s MET 114 CO -0.01 0.27 0.55 0.12 0.00 0.00 0.00 175.02 175.96 2br8 s PHE 115 N -1.13 -1.12 -0.56 4.11 5.36 -0.17 -1.22 117.98 123.26 2br8 s PHE 115 Ca 0.03 1.96 0.04 0.00 -0.96 0.00 0.00 56.93 58.01 2br8 s PHE 115 Cb -0.10 0.58 0.17 0.00 -0.34 0.00 0.00 43.02 43.33 2br8 s PHE 115 CO 0.03 -0.60 0.41 0.42 -1.46 0.00 0.00 175.22 174.02 2br8 s ILE 116 N 2.78 1.66 0.27 3.12 1.01 -1.26 -1.06 121.20 127.72 2br8 s ILE 116 Ca -0.03 -3.43 -0.27 0.00 0.00 0.00 0.00 60.65 56.92 2br8 s ILE 116 Cb -0.12 -2.11 -0.09 0.00 0.01 0.00 0.00 42.46 40.14 2br8 s ILE 116 CO -0.16 -1.10 0.91 -2.16 0.00 0.00 0.00 174.94 172.43 2br8 s PRO 117 N -0.65 4.64 -0.02 2.79 0.04 -1.24 -4.84 135.00 135.72 2br8 s PRO 117 Ca 0.28 1.32 -0.22 0.00 0.04 0.00 0.00 61.00 62.42 2br8 s PRO 117 Cb -0.03 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 2br8 s PRO 117 CO -0.17 0.39 0.65 0.00 0.04 0.00 0.00 177.00 177.92 2br8 s ALA 118 N -1.42 3.42 0.04 8.56 0.00 -1.26 -2.36 121.76 128.73 2br8 s ALA 118 Ca 0.45 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.53 2br8 s ALA 118 Cb -0.21 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 2br8 s ALA 118 CO 0.26 0.06 -0.10 -0.65 0.00 0.00 0.00 175.76 175.33 2br8 s GLN 119 N 0.18 0.63 -0.15 0.00 -0.21 -0.59 -0.74 119.66 118.77 2br8 s GLN 119 Ca 0.34 -0.74 -0.04 0.00 0.02 0.00 0.00 55.36 54.94 2br8 s GLN 119 Cb -0.18 -0.51 -0.03 0.00 1.00 0.00 0.00 33.01 33.29 2br8 s GLN 119 CO 0.18 0.11 -0.01 0.50 -2.12 0.00 0.00 175.29 173.95 2br8 s ARG 120 N -1.39 3.64 -0.07 2.91 3.52 -0.65 -2.28 118.95 124.63 2br8 s ARG 120 Ca -0.05 -0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 2br8 s ARG 120 Cb -0.09 -2.96 0.02 0.00 -1.56 0.00 0.00 34.95 30.36 2br8 s ARG 120 CO 0.01 0.32 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.59 2br8 s LEU 121 N 0.16 1.24 -0.18 -0.88 2.96 -0.68 -1.86 118.68 119.45 2br8 s LEU 121 Ca 0.00 -0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.58 2br8 s LEU 121 Cb -0.13 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 2br8 s LEU 121 CO 0.02 -0.07 0.32 -0.44 -1.32 0.00 0.00 176.35 174.85 2br8 s SER 122 N 1.21 6.42 0.08 3.68 0.01 -1.26 -1.53 113.70 122.31 2br8 s SER 122 Ca -0.06 0.49 -0.01 0.00 1.31 0.00 0.00 55.95 57.68 2br8 s SER 122 Cb -0.14 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2br8 s SER 122 CO -0.02 0.05 0.00 0.72 0.41 0.00 0.00 173.24 174.40 2br8 s PHE 123 N 0.74 0.65 -0.09 2.43 -0.12 -0.63 -1.14 117.98 119.82 2br8 s PHE 123 Ca 0.17 -1.13 -0.29 0.00 -0.05 0.00 0.00 56.93 55.62 2br8 s PHE 123 Cb -0.14 -0.42 -0.06 0.00 -0.63 0.00 0.00 43.02 41.77 2br8 s PHE 123 CO 0.05 -0.44 1.92 -1.64 -0.05 0.00 0.00 175.22 175.07 2br8 s MET 124 N -3.97 3.81 -0.30 1.99 -1.94 -0.68 -1.23 119.30 116.99 2br8 s MET 124 Ca 0.14 2.21 -0.09 0.00 -1.71 0.00 0.00 55.69 56.23 2br8 s MET 124 Cb 0.08 -4.17 0.15 0.00 2.01 0.00 0.00 34.83 32.90 2br8 s MET 124 CO -0.05 -1.31 0.74 0.00 -0.01 0.00 0.00 175.02 174.39 2br8 s ASP 126 N 2.79 6.35 -0.08 0.00 2.15 -1.26 -3.38 116.67 123.24 2br8 s ASP 126 Ca 0.01 -0.28 0.05 0.00 0.43 0.00 0.00 52.55 52.76 2br8 s ASP 126 Cb -0.11 -2.47 0.30 0.00 -0.30 0.00 0.00 42.92 40.34 2br8 s ASP 126 CO -0.19 -1.31 0.98 -0.81 -0.17 0.00 0.00 175.17 173.67 2br8 n PRO 127 N 7.76 2.40 -1.88 4.34 -0.04 -1.26 -4.85 135.00 141.47 2br8 n PRO 127 Ca 0.03 -1.16 -0.42 0.00 -0.04 0.00 0.00 63.50 61.91 2br8 n PRO 127 Cb 0.48 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 2br8 n PRO 127 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2br8 s THR 128 N -1.65 2.76 0.00 0.52 2.01 -1.26 -1.97 115.64 116.05 2br8 s THR 128 Ca 0.20 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.57 2br8 s THR 128 Cb 0.15 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.43 2br8 s THR 128 CO 0.06 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2br8 n GLY 129 N 3.97 3.32 0.51 4.40 0.00 -1.26 -4.75 105.19 111.38 2br8 n GLY 129 Ca 0.16 0.00 0.41 0.00 0.00 0.00 0.00 46.02 46.59 2br8 n GLY 129 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2br8 h VAL 130 N 0.00 0.05 -0.18 1.61 3.04 -1.59 0.29 116.25 119.47 2br8 h VAL 130 Ca 0.00 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.67 2br8 h VAL 130 Cb 0.00 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.29 2br8 h VAL 130 CO 0.00 0.01 0.08 0.44 -1.01 0.00 0.00 177.57 177.08 2br8 h ASP 131 N 0.03 0.22 -3.93 3.17 5.19 -1.92 -2.22 116.42 116.96 2br8 h ASP 131 Ca 0.87 -0.01 -0.46 0.00 -0.62 0.00 0.00 57.03 56.80 2br8 h ASP 131 Cb 2.91 -0.06 0.08 0.00 0.18 0.00 0.00 39.33 42.44 2br8 h ASP 131 CO -0.37 0.20 0.26 -0.94 -3.12 0.00 0.00 179.24 175.27 2br8 s SER 132 N -6.89 4.90 0.50 6.45 1.04 0.10 -4.86 113.70 114.95 2br8 s SER 132 Ca -0.06 0.58 0.23 0.00 0.48 0.00 0.00 55.95 57.18 2br8 s SER 132 Cb 0.17 -1.26 1.32 0.00 0.10 0.00 0.00 66.02 66.35 2br8 s SER 132 CO 0.70 -1.56 2.06 -0.08 0.98 0.00 0.00 173.24 175.34 2br8 h GLU 133 N -0.62 0.00 0.00 4.02 4.81 -1.89 -2.89 114.58 118.01 2br8 h GLU 133 Ca -0.45 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.59 2br8 h GLU 133 Cb 1.31 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 2br8 h GLU 133 CO 0.61 0.14 -1.00 0.93 -0.73 0.00 0.00 179.01 178.96 2br8 h GLU 134 N 0.00 0.00 0.00 1.92 4.39 -1.94 -3.50 114.58 115.46 2br8 h GLU 134 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2br8 h GLU 134 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2br8 h GLU 134 CO 0.02 0.73 0.00 0.41 -1.16 0.00 0.00 179.01 179.01 2br8 n GLY 135 N 1.35 -0.74 3.08 -3.84 0.00 -1.09 -4.86 105.19 99.08 2br8 n GLY 135 Ca -0.03 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.75 2br8 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2br8 s VAL 136 N 0.00 0.17 -0.11 1.61 0.11 -0.19 -4.34 120.40 117.64 2br8 s VAL 136 Ca 0.00 -1.39 0.02 0.00 -2.93 0.00 0.00 61.98 57.68 2br8 s VAL 136 Cb 0.00 -1.07 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 2br8 s VAL 136 CO 0.00 -0.77 -0.17 -0.89 -3.33 0.00 0.00 175.10 169.94 2br8 s THR 137 N -3.04 2.74 0.06 5.04 2.01 -1.26 -1.71 115.64 119.48 2br8 s THR 137 Ca -0.01 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.25 2br8 s THR 137 Cb 0.02 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 2br8 s THR 137 CO -0.07 0.55 -0.14 0.00 -0.69 0.00 0.00 174.62 174.26 2br8 s ALA 139 N -1.10 1.00 -0.12 0.00 0.00 -1.26 0.27 121.76 120.56 2br8 s ALA 139 Ca -0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 2br8 s ALA 139 Cb -0.09 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2br8 s ALA 139 CO 0.02 0.08 0.28 0.54 0.00 0.00 0.00 175.76 176.68 2br8 s VAL 140 N -1.53 -0.03 -0.05 0.00 0.11 -0.40 -4.96 120.40 113.55 2br8 s VAL 140 Ca -0.03 0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 58.98 2br8 s VAL 140 Cb -0.09 -0.42 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 2br8 s VAL 140 CO 0.01 0.04 0.37 -0.54 -3.33 0.00 0.00 175.10 171.65 2br8 s LYS 141 N 0.97 3.94 -0.03 1.54 1.02 -1.26 -1.24 119.74 124.68 2br8 s LYS 141 Ca -0.07 0.31 0.06 0.00 0.02 0.00 0.00 55.97 56.29 2br8 s LYS 141 Cb -0.08 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 2br8 s LYS 141 CO -0.07 0.59 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.69 2br8 s PHE 142 N -0.71 2.51 0.06 3.18 0.08 -0.21 0.61 117.98 123.50 2br8 s PHE 142 Ca 0.22 -0.30 -0.28 0.00 0.12 0.00 0.00 56.93 56.69 2br8 s PHE 142 Cb -0.15 -1.56 0.09 0.00 -0.57 0.00 0.00 43.02 40.82 2br8 s PHE 142 CO 0.11 0.08 1.05 0.20 -0.10 0.00 0.00 175.22 176.55 2br8 s GLY 143 N -0.68 -0.32 0.42 4.36 0.00 -0.21 -0.20 107.32 110.69 2br8 s GLY 143 Ca 0.11 0.52 -0.25 0.00 0.00 0.00 0.00 44.72 45.11 2br8 s GLY 143 CO -0.00 0.13 1.19 -0.45 0.00 0.00 0.00 173.10 173.96 2br8 s SER 144 N -2.82 6.37 0.19 1.64 0.15 -1.26 0.02 113.70 117.98 2br8 s SER 144 Ca 0.11 2.38 0.15 0.00 0.70 0.00 0.00 55.95 59.29 2br8 s SER 144 Cb 0.00 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 2br8 s SER 144 CO -0.02 -0.78 1.21 -0.25 1.20 0.00 0.00 173.24 174.60 2br8 h TRP 145 N 2.45 0.00 0.00 3.44 2.91 -1.90 -3.41 115.95 119.44 2br8 h TRP 145 Ca -0.49 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.53 2br8 h TRP 145 Cb 1.24 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.89 2br8 h TRP 145 CO 0.54 0.58 -0.24 1.33 -1.03 0.00 0.00 178.44 179.62 2br8 n VAL 146 N -3.12 0.00 -4.28 2.65 0.24 -1.26 -5.07 118.33 107.49 2br8 n VAL 146 Ca -0.02 -0.20 -0.34 0.00 -2.04 0.00 0.00 64.34 61.73 2br8 n VAL 146 Cb 0.79 0.75 -0.13 0.00 -1.47 0.00 0.00 33.84 33.78 2br8 n VAL 146 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2br8 s TYR 147 N -0.88 2.96 0.92 6.34 2.02 -1.26 -5.10 117.35 122.34 2br8 s TYR 147 Ca 0.00 -0.57 -0.15 0.00 -0.37 0.00 0.00 57.07 55.97 2br8 s TYR 147 Cb 0.00 -2.00 0.23 0.00 -0.40 0.00 0.00 41.96 39.79 2br8 s TYR 147 CO 0.00 -0.25 0.75 -1.13 -1.57 0.00 0.00 175.55 173.35 2br8 n SER 148 N 4.02 -2.16 0.10 2.29 3.41 -1.26 -4.45 113.62 115.57 2br8 n SER 148 Ca -0.18 -0.91 0.13 0.00 -0.26 0.00 0.00 58.87 57.66 2br8 n SER 148 Cb 0.52 -0.72 0.43 0.00 -0.26 0.00 0.00 64.21 64.19 2br8 n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2br8 n GLY 149 N -3.02 -1.63 0.05 5.00 0.00 -0.09 0.27 105.19 105.78 2br8 n GLY 149 Ca 0.11 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.24 2br8 n GLY 149 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2br8 n PHE 150 N -2.18 0.00 -0.03 1.61 3.72 -1.26 -3.80 117.46 115.52 2br8 n PHE 150 Ca 0.05 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.39 2br8 n PHE 150 Cb 0.40 -0.30 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 2br8 n PHE 150 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2br8 n GLU 151 N -1.25 0.13 -4.04 -1.08 1.02 -0.42 -3.99 120.64 111.00 2br8 n GLU 151 Ca 0.10 0.06 -0.31 0.00 -0.02 0.00 0.00 57.16 56.98 2br8 n GLU 151 Cb 0.31 -0.74 -0.16 0.00 -0.02 0.00 0.00 31.44 30.83 2br8 n GLU 151 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2br8 s ILE 152 N -2.11 1.89 -0.03 -3.67 1.01 0.14 -1.85 121.20 116.58 2br8 s ILE 152 Ca -0.09 -1.22 -0.23 0.00 0.00 0.00 0.00 60.65 59.12 2br8 s ILE 152 Cb 0.03 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 2br8 s ILE 152 CO 0.11 0.15 0.67 -0.62 0.00 0.00 0.00 174.94 175.25 2br8 s ASP 153 N 1.28 7.01 -0.16 3.58 2.15 0.64 -3.92 116.67 127.24 2br8 s ASP 153 Ca -0.03 1.21 0.01 0.00 0.43 0.00 0.00 52.55 54.18 2br8 s ASP 153 Cb -0.17 -2.40 0.01 0.00 -0.30 0.00 0.00 42.92 40.06 2br8 s ASP 153 CO -0.08 -0.01 -0.19 -0.22 -0.17 0.00 0.00 175.17 174.50 2br8 s LEU 154 N 0.29 2.21 0.20 -1.34 2.96 -1.26 -0.42 118.68 121.33 2br8 s LEU 154 Ca 0.35 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2br8 s LEU 154 Cb -0.18 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2br8 s LEU 154 CO 0.18 0.05 0.12 -1.59 -1.32 0.00 0.00 176.35 173.79 2br8 s LYS 155 N 1.02 1.21 0.30 1.98 -2.85 -0.22 -4.89 119.74 116.29 2br8 s LYS 155 Ca -0.02 -1.63 0.05 0.00 -1.00 0.00 0.00 55.97 53.37 2br8 s LYS 155 Cb -0.15 0.20 -0.06 0.00 -2.06 0.00 0.00 37.83 35.77 2br8 s LYS 155 CO -0.06 -0.37 0.01 0.95 0.10 0.00 0.00 175.35 175.98 2br8 s THR 156 N -4.10 1.37 -0.94 3.79 -4.23 -1.26 -0.65 115.64 109.61 2br8 s THR 156 Ca 0.38 -2.04 0.15 0.00 -1.18 0.00 0.00 61.69 59.00 2br8 s THR 156 Cb 0.07 -2.65 -0.11 0.00 1.34 0.00 0.00 72.50 71.15 2br8 s THR 156 CO 0.12 -0.13 0.70 0.47 -0.54 0.00 0.00 174.62 175.23 2br8 n ASP 157 N -0.64 0.99 -3.60 3.99 8.00 -1.26 -4.98 116.55 119.05 2br8 n ASP 157 Ca -0.04 -0.99 -0.14 0.00 0.71 0.00 0.00 54.79 54.33 2br8 n ASP 157 Cb 0.65 0.83 -0.07 0.00 -0.02 0.00 0.00 41.12 42.52 2br8 n ASP 157 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2br8 s THR 158 N -2.24 0.00 0.45 -3.53 -1.32 -1.26 -5.01 115.64 102.74 2br8 s THR 158 Ca 0.08 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.79 2br8 s THR 158 Cb 0.12 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.37 2br8 s THR 158 CO 0.54 0.00 2.07 0.44 -2.21 0.00 0.00 174.62 175.46 2br8 h ASP 159 N 4.15 0.00 -3.48 8.08 3.32 -1.96 -3.44 116.42 123.09 2br8 h ASP 159 Ca -0.27 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.17 2br8 h ASP 159 Cb 1.16 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.60 2br8 h ASP 159 CO 0.17 0.12 0.34 -1.58 -1.72 0.00 0.00 179.24 176.57 2br8 s GLN 160 N -4.42 3.88 0.33 3.56 2.00 -1.26 -0.30 119.66 123.45 2br8 s GLN 160 Ca -0.04 0.44 -0.29 0.00 -2.00 0.00 0.00 55.36 53.48 2br8 s GLN 160 Cb 0.14 -3.75 -0.11 0.00 0.80 0.00 0.00 33.01 30.10 2br8 s GLN 160 CO 0.62 -0.71 1.41 0.08 -0.50 0.00 0.00 175.29 176.19 2br8 s VAL 161 N 2.92 2.44 -0.16 1.34 1.01 -1.10 -4.88 120.40 121.97 2br8 s VAL 161 Ca 0.30 0.42 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 2br8 s VAL 161 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2br8 s VAL 161 CO 0.14 0.09 1.28 -0.62 0.00 0.00 0.00 175.10 175.99 2br8 s ASP 162 N -0.16 6.93 0.00 3.32 -1.08 -0.54 -4.85 116.67 120.30 2br8 s ASP 162 Ca 0.53 1.72 0.05 0.00 -0.52 0.00 0.00 52.55 54.33 2br8 s ASP 162 Cb -0.43 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 38.55 2br8 s ASP 162 CO 0.54 -0.77 0.72 0.18 0.52 0.00 0.00 175.17 176.36 2br8 n LEU 163 N 6.62 1.55 0.22 -1.34 4.77 -1.26 -1.70 117.00 125.86 2br8 n LEU 163 Ca 0.14 -1.12 0.15 0.00 -0.03 0.00 0.00 56.01 55.16 2br8 n LEU 163 Cb 0.45 -0.01 0.77 0.00 -2.33 0.00 0.00 43.42 42.29 2br8 n LEU 163 CO 0.56 0.34 0.96 0.77 -1.33 0.00 0.00 177.39 178.69 2br8 h SER 164 N 1.01 0.00 0.00 -1.43 4.64 -1.88 -0.96 113.55 114.93 2br8 h SER 164 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2br8 h SER 164 Cb 0.26 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.23 2br8 h SER 164 CO 0.00 0.00 -0.63 -1.54 -0.87 0.00 0.00 176.83 173.79 2br8 n SER 165 N -2.60 1.45 -4.75 4.97 3.41 -1.26 -5.05 113.62 109.80 2br8 n SER 165 Ca -0.01 -3.14 -0.41 0.00 -0.26 0.00 0.00 58.87 55.05 2br8 n SER 165 Cb 0.11 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.61 2br8 n SER 165 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2br8 s TYR 166 N -2.02 2.85 0.10 7.33 5.04 -0.37 -4.73 117.35 125.55 2br8 s TYR 166 Ca 0.34 0.94 -0.31 0.00 -2.44 0.00 0.00 57.07 55.60 2br8 s TYR 166 Cb 0.35 -3.96 -0.10 0.00 0.35 0.00 0.00 41.96 38.60 2br8 s TYR 166 CO -0.09 -3.12 1.88 0.98 -1.34 0.00 0.00 175.55 173.87 2br8 n TYR 167 N 2.01 2.60 0.39 4.97 9.36 -0.13 -4.87 117.16 131.49 2br8 n TYR 167 Ca 0.07 -0.22 0.14 0.00 3.32 0.00 0.00 57.90 61.20 2br8 n TYR 167 Cb 0.39 -2.76 0.43 0.00 -0.63 0.00 0.00 39.34 36.77 2br8 n TYR 167 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2br8 h ALA 168 N 9.18 1.00 -0.18 2.98 0.00 -1.91 -2.84 119.26 127.49 2br8 h ALA 168 Ca -0.47 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2br8 h ALA 168 Cb 1.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2br8 h ALA 168 CO 0.95 0.00 -0.11 0.43 0.00 0.00 0.00 179.25 180.52 2br8 n SER 169 N -2.65 2.68 -4.65 0.00 7.64 -1.26 -5.05 113.62 110.33 2br8 n SER 169 Ca 0.03 -3.43 -0.35 0.00 1.01 0.00 0.00 58.87 56.14 2br8 n SER 169 Cb 0.38 -0.54 0.10 0.00 -1.01 0.00 0.00 64.21 63.14 2br8 n SER 169 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2br8 n SER 170 N -1.04 0.74 0.26 6.43 2.88 -1.08 -4.89 113.62 116.92 2br8 n SER 170 Ca 0.23 0.63 0.11 0.00 -1.33 0.00 0.00 58.87 58.52 2br8 n SER 170 Cb 0.84 -1.45 0.73 0.00 -0.75 0.00 0.00 64.21 63.57 2br8 n SER 170 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2br8 h LYS 171 N -0.51 0.00 -6.22 -1.46 1.79 -1.92 -3.44 116.57 104.81 2br8 h LYS 171 Ca -0.47 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.31 2br8 h LYS 171 Cb 1.32 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.70 2br8 h LYS 171 CO 0.46 0.09 -0.82 0.71 -1.08 0.00 0.00 179.45 178.81 2br8 s TYR 172 N -4.51 2.57 -0.18 -1.35 2.02 -1.26 -0.74 117.35 113.89 2br8 s TYR 172 Ca -0.04 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.22 2br8 s TYR 172 Cb 0.15 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 40.07 2br8 s TYR 172 CO 0.61 0.00 -0.03 -2.00 -1.57 0.00 0.00 175.55 172.55 2br8 s GLU 173 N -0.46 3.57 -0.11 -0.62 2.12 0.79 -4.84 118.70 119.15 2br8 s GLU 173 Ca 0.05 -0.55 -0.28 0.00 0.36 0.00 0.00 54.97 54.55 2br8 s GLU 173 Cb -0.12 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 2br8 s GLU 173 CO 0.01 0.09 0.95 0.42 -0.54 0.00 0.00 175.26 176.19 2br8 s ILE 174 N 0.76 4.83 -0.09 -3.70 1.09 -1.26 -1.61 121.20 121.22 2br8 s ILE 174 Ca -0.01 1.92 0.15 0.00 -1.10 0.00 0.00 60.65 61.61 2br8 s ILE 174 Cb -0.14 -4.26 -0.18 0.00 -1.06 0.00 0.00 42.46 36.82 2br8 s ILE 174 CO 0.02 0.04 0.74 0.18 -0.10 0.00 0.00 174.94 175.82 2br8 n LEU 175 N 4.90 0.85 -3.63 2.97 4.77 0.19 -4.97 117.00 122.08 2br8 n LEU 175 Ca 0.07 0.39 -0.08 0.00 -0.03 0.00 0.00 56.01 56.36 2br8 n LEU 175 Cb 0.49 0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 2br8 n LEU 175 CO 0.51 0.25 0.83 -0.55 -1.33 0.00 0.00 177.39 177.10 2br8 s SER 176 N -5.90 -0.36 -0.20 -1.43 0.15 -0.88 -4.98 113.70 100.10 2br8 s SER 176 Ca -0.04 0.65 -0.07 0.00 0.70 0.00 0.00 55.95 57.19 2br8 s SER 176 Cb 0.08 0.65 0.09 0.00 -1.71 0.00 0.00 66.02 65.13 2br8 s SER 176 CO 0.82 -0.15 0.44 0.00 1.20 0.00 0.00 173.24 175.54 2br8 s ALA 177 N -0.02 -1.22 0.01 5.45 0.00 -1.26 0.10 121.76 124.82 2br8 s ALA 177 Ca 0.03 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2br8 s ALA 177 Cb -0.04 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 2br8 s ALA 177 CO -0.07 -0.73 -0.02 -0.08 0.00 0.00 0.00 175.76 174.86 2br8 s THR 178 N 2.54 0.08 -0.09 0.00 -1.32 -0.48 -2.73 115.64 113.65 2br8 s THR 178 Ca -0.03 -0.48 0.03 0.00 -1.21 0.00 0.00 61.69 60.00 2br8 s THR 178 Cb -0.12 -0.16 0.01 0.00 -1.51 0.00 0.00 72.50 70.72 2br8 s THR 178 CO -0.13 -0.25 -0.19 0.00 -2.21 0.00 0.00 174.62 171.83 2br8 s GLN 179 N -0.77 2.50 -0.09 7.08 -2.07 0.59 -0.69 119.66 126.21 2br8 s GLN 179 Ca -0.08 -0.69 -0.05 0.00 -1.82 0.00 0.00 55.36 52.72 2br8 s GLN 179 Cb -0.05 -1.95 0.04 0.00 -1.09 0.00 0.00 33.01 29.96 2br8 s GLN 179 CO -0.00 0.10 0.22 -0.08 -1.32 0.00 0.00 175.29 174.20 2br8 s THR 180 N 0.52 -0.03 0.03 3.63 -1.32 -0.47 -4.25 115.64 113.76 2br8 s THR 180 Ca -0.16 0.12 -0.30 0.00 -1.21 0.00 0.00 61.69 60.13 2br8 s THR 180 Cb -0.17 -0.33 -0.07 0.00 -1.51 0.00 0.00 72.50 70.42 2br8 s THR 180 CO 0.06 0.05 1.55 -0.60 -2.21 0.00 0.00 174.62 173.47 2br8 s ARG 181 N 0.94 4.23 -0.02 7.08 3.52 -1.26 -0.75 118.95 132.69 2br8 s ARG 181 Ca -0.07 2.18 0.07 0.00 -0.13 0.00 0.00 55.73 57.78 2br8 s ARG 181 Cb -0.08 -3.61 -0.02 0.00 -1.56 0.00 0.00 34.95 29.68 2br8 s ARG 181 CO -0.06 -0.68 -0.23 -0.65 -0.81 0.00 0.00 175.30 172.87 2br8 s GLN 182 N 2.64 1.90 -0.12 5.12 -0.21 -0.27 -4.97 119.66 123.74 2br8 s GLN 182 Ca 0.70 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 55.27 2br8 s GLN 182 Cb -0.36 -1.82 -0.01 0.00 1.00 0.00 0.00 33.01 31.82 2br8 s GLN 182 CO 0.30 0.49 -0.17 0.08 -2.12 0.00 0.00 175.29 173.86 2br8 s VAL 183 N -0.52 2.62 -0.11 1.09 1.01 -1.26 -1.97 120.40 121.27 2br8 s VAL 183 Ca 0.08 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 2br8 s VAL 183 Cb -0.09 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 2br8 s VAL 183 CO -0.01 0.54 -0.08 -1.58 0.00 0.00 0.00 175.10 173.96 2br8 s GLN 184 N 0.43 3.16 -0.12 2.72 2.00 -0.22 -4.97 119.66 122.66 2br8 s GLN 184 Ca -0.13 -0.59 -0.04 0.00 -2.00 0.00 0.00 55.36 52.60 2br8 s GLN 184 Cb -0.17 -2.67 -0.04 0.00 0.80 0.00 0.00 33.01 30.94 2br8 s GLN 184 CO 0.06 0.42 0.04 -1.01 -0.50 0.00 0.00 175.29 174.29 2br8 s HIS 185 N -0.15 3.26 -0.09 1.67 3.76 -1.26 -1.46 115.29 121.01 2br8 s HIS 185 Ca 0.01 0.21 0.04 0.00 -0.15 0.00 0.00 55.06 55.16 2br8 s HIS 185 Cb -0.13 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 2br8 s HIS 185 CO 0.03 0.43 -0.21 0.71 -0.85 0.00 0.00 174.74 174.85 2br8 s TYR 186 N -0.59 2.60 -0.88 1.40 2.02 -1.26 -5.04 117.35 115.60 2br8 s TYR 186 Ca 0.10 -0.84 0.13 0.00 -0.37 0.00 0.00 57.07 56.09 2br8 s TYR 186 Cb -0.12 -1.71 0.55 0.00 -0.40 0.00 0.00 41.96 40.28 2br8 s TYR 186 CO 0.02 -0.29 1.40 -1.13 -1.57 0.00 0.00 175.55 173.97 2br8 n SER 187 N 3.33 0.13 0.20 2.29 3.41 -1.26 -1.76 113.62 119.95 2br8 n SER 187 Ca -0.18 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.04 2br8 n SER 187 Cb 0.53 -0.56 0.36 0.00 -0.26 0.00 0.00 64.21 64.27 2br8 n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2br8 h PRO 190 N 6.72 0.00 -6.33 0.00 0.13 -1.92 -3.41 132.00 127.20 2br8 h PRO 190 Ca -0.36 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.23 2br8 h PRO 190 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2br8 h PRO 190 CO 0.42 0.00 0.15 -1.83 -0.23 0.00 0.00 178.00 176.51 2br8 s GLU 191 N -3.36 4.49 0.49 0.86 1.03 -1.26 -5.06 118.70 115.89 2br8 s GLU 191 Ca 0.05 1.06 -0.15 0.00 0.03 0.00 0.00 54.97 55.96 2br8 s GLU 191 Cb 0.09 -3.34 -0.08 0.00 -0.80 0.00 0.00 34.13 30.00 2br8 s GLU 191 CO 0.56 0.35 0.93 -1.25 -1.33 0.00 0.00 175.26 174.52 2br8 s PRO 192 N -0.29 3.91 -0.03 -4.83 0.04 -1.26 -4.69 135.00 127.85 2br8 s PRO 192 Ca 0.37 0.84 0.03 0.00 0.04 0.00 0.00 61.00 62.28 2br8 s PRO 192 Cb -0.21 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2br8 s PRO 192 CO 0.23 -0.22 -0.10 0.71 0.04 0.00 0.00 177.00 177.66 2br8 s TYR 193 N -2.57 2.81 0.02 0.56 1.51 -0.54 -0.91 117.35 118.24 2br8 s TYR 193 Ca 0.57 -0.08 0.05 0.00 -1.01 0.00 0.00 57.07 56.60 2br8 s TYR 193 Cb -0.10 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 2br8 s TYR 193 CO 0.31 0.29 -0.15 0.42 -1.11 0.00 0.00 175.55 175.31 2br8 s ILE 194 N -0.85 1.21 0.06 2.71 -1.09 -1.26 -1.06 121.20 120.92 2br8 s ILE 194 Ca 0.14 -0.90 -0.12 0.00 -2.23 0.00 0.00 60.65 57.54 2br8 s ILE 194 Cb -0.11 -1.06 0.01 0.00 -1.58 0.00 0.00 42.46 39.73 2br8 s ILE 194 CO 0.03 0.14 0.26 1.51 -1.23 0.00 0.00 174.94 175.65 2br8 s ASP 195 N -0.88 -0.04 -0.23 3.58 -4.77 -0.83 -4.51 116.67 108.99 2br8 s ASP 195 Ca 0.04 -0.36 -0.07 0.00 -3.30 0.00 0.00 52.55 48.85 2br8 s ASP 195 Cb -0.07 0.35 -0.03 0.00 -1.09 0.00 0.00 42.92 42.07 2br8 s ASP 195 CO 0.01 -0.66 0.07 -0.69 0.70 0.00 0.00 175.17 174.61 2br8 s VAL 196 N -3.02 4.47 -0.31 2.11 1.01 0.72 -1.12 120.40 124.28 2br8 s VAL 196 Ca -0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 2br8 s VAL 196 Cb 0.01 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2br8 s VAL 196 CO -0.06 0.36 0.44 0.21 0.00 0.00 0.00 175.10 176.05 2br8 s ASN 197 N 1.33 6.29 -0.50 3.32 2.47 0.07 -1.04 114.94 126.88 2br8 s ASN 197 Ca 0.05 0.13 -0.18 0.00 0.42 0.00 0.00 52.86 53.28 2br8 s ASN 197 Cb -0.15 -2.24 0.06 0.00 -1.45 0.00 0.00 41.25 37.48 2br8 s ASN 197 CO 0.04 -0.33 0.57 -0.22 -3.72 0.00 0.00 177.10 173.45 2br8 s LEU 198 N 2.21 5.11 -0.24 3.21 2.96 -0.37 -1.37 118.68 130.19 2br8 s LEU 198 Ca 0.17 -1.00 -0.05 0.00 -0.22 0.00 0.00 54.13 53.02 2br8 s LEU 198 Cb -0.16 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 2br8 s LEU 198 CO 0.11 -0.84 0.00 -0.69 -1.32 0.00 0.00 176.35 173.62 2br8 s VAL 199 N 2.41 3.70 -0.07 1.68 1.01 0.13 -1.28 120.40 127.99 2br8 s VAL 199 Ca 0.13 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.71 2br8 s VAL 199 Cb -0.20 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 2br8 s VAL 199 CO 0.11 0.35 -0.21 0.68 0.00 0.00 0.00 175.10 176.02 2br8 s VAL 200 N 1.52 2.40 -0.11 2.92 -7.23 0.14 -1.38 120.40 118.65 2br8 s VAL 200 Ca 0.05 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 2br8 s VAL 200 Cb -0.15 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 2br8 s VAL 200 CO -0.01 0.57 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.47 2br8 s LYS 201 N -0.21 3.20 0.25 4.82 2.20 0.11 -0.65 119.74 129.47 2br8 s LYS 201 Ca -0.01 -0.68 -0.19 0.00 -0.36 0.00 0.00 55.97 54.72 2br8 s LYS 201 Cb -0.13 -2.59 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 2br8 s LYS 201 CO 0.03 0.31 0.63 -0.59 -0.36 0.00 0.00 175.35 175.37 2br8 s PHE 202 N 0.10 -0.12 0.17 4.03 -0.12 -0.69 -0.64 117.98 120.71 2br8 s PHE 202 Ca -0.06 -0.28 -0.14 0.00 -0.05 0.00 0.00 56.93 56.40 2br8 s PHE 202 Cb -0.15 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 42.81 2br8 s PHE 202 CO 0.04 -1.10 0.41 -0.98 -0.05 0.00 0.00 175.22 173.54 2br8 s ARG 203 N -3.91 1.22 0.39 1.99 1.70 -0.63 -1.03 118.95 118.68 2br8 s ARG 203 Ca 0.12 -0.95 -0.28 0.00 -0.47 0.00 0.00 55.73 54.16 2br8 s ARG 203 Cb -0.04 0.45 -0.11 0.00 -0.57 0.00 0.00 34.95 34.69 2br8 s ARG 203 CO 0.04 -0.49 1.45 0.39 -1.08 0.00 0.00 175.30 175.61 2br8 n GLU 204 N -0.26 2.53 0.00 3.89 1.02 -0.83 -0.15 120.64 126.84 2br8 n GLU 204 Ca -0.10 0.89 0.15 0.00 -0.02 0.00 0.00 57.16 58.07 2br8 n GLU 204 Cb 0.63 -2.62 0.66 0.00 -0.02 0.00 0.00 31.44 30.09 2br8 n GLU 204 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18