#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 0.00 0.15 -1.58 0.00 -1.26 -3.29 120.51 114.53 2br8 n ALA 2 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2br8 n ALA 2 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2br8 n ALA 2 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2br8 h ASN 3 N 0.00 0.00 -0.50 0.00 2.35 -1.98 -3.35 115.58 112.10 2br8 h ASN 3 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2br8 h ASN 3 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 2br8 h ASN 3 CO 0.00 0.48 0.26 0.25 -1.65 0.00 0.00 177.43 176.76 2br8 h LEU 4 N 0.00 0.38 -0.91 1.61 5.85 -1.89 -2.31 115.31 118.05 2br8 h LEU 4 Ca -0.00 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.79 2br8 h LEU 4 Cb 1.35 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.27 2br8 h LEU 4 CO 0.06 0.26 0.58 0.24 -0.34 0.00 0.00 178.44 179.25 2br8 h MET 5 N 0.51 1.05 -0.75 1.25 2.86 -1.68 -2.15 114.93 116.02 2br8 h MET 5 Ca 0.22 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 2br8 h MET 5 Cb 0.11 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 2br8 h MET 5 CO -0.14 0.70 0.34 -0.09 1.06 0.00 0.00 176.91 178.77 2br8 h ARG 6 N 1.08 1.09 0.04 1.72 2.43 -1.63 -2.69 114.38 116.42 2br8 h ARG 6 Ca 0.38 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2br8 h ARG 6 Cb 0.10 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2br8 h ARG 6 CO -0.15 0.87 -0.02 1.25 -1.51 0.00 0.00 179.97 180.41 2br8 h LEU 7 N 1.06 -0.05 -0.96 3.80 5.85 -0.90 -1.19 115.31 122.93 2br8 h LEU 7 Ca 0.25 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.90 2br8 h LEU 7 Cb 0.15 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 2br8 h LEU 7 CO -0.03 0.14 0.60 0.11 -0.34 0.00 0.00 178.44 178.92 2br8 h LYS 8 N -0.24 0.99 -0.52 1.25 1.57 -1.48 -1.27 116.57 116.87 2br8 h LYS 8 Ca -0.01 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2br8 h LYS 8 Cb 0.21 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2br8 h LYS 8 CO 0.01 0.65 -0.11 1.03 -0.57 0.00 0.00 179.45 180.46 2br8 h SER 9 N 1.02 0.99 -0.23 0.86 0.87 -1.23 -1.63 113.55 114.19 2br8 h SER 9 Ca 0.45 -0.32 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 2br8 h SER 9 Cb 0.32 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2br8 h SER 9 CO -0.22 1.10 -0.21 0.44 -0.53 0.00 0.00 176.83 177.41 2br8 h ASP 10 N 0.88 0.59 -0.12 6.23 3.32 -0.76 -2.09 116.42 124.47 2br8 h ASP 10 Ca 0.14 -0.47 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 2br8 h ASP 10 Cb 0.67 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2br8 h ASP 10 CO 0.05 0.93 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.29 2br8 h LEU 11 N 0.25 0.34 0.00 1.55 3.38 -1.21 -3.22 115.31 116.40 2br8 h LEU 11 Ca 0.04 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 57.41 2br8 h LEU 11 Cb 0.76 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2br8 h LEU 11 CO 0.05 0.76 -0.63 -0.26 0.09 0.00 0.00 178.44 178.46 2br8 h PHE 12 N -0.09 0.00 -0.00 1.13 0.05 -1.41 -3.40 116.94 113.23 2br8 h PHE 12 Ca 0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.81 2br8 h PHE 12 Cb 0.68 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.63 2br8 h PHE 12 CO 0.09 0.96 -0.05 0.09 -0.18 0.00 0.00 178.31 179.21 2br8 n ASN 13 N -4.55 0.44 -4.30 2.17 3.02 -0.79 -4.56 115.26 106.70 2br8 n ASN 13 Ca -0.18 -0.78 -0.33 0.00 -0.03 0.00 0.00 54.58 53.26 2br8 n ASN 13 Cb 0.48 -0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 39.44 2br8 n ASN 13 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2br8 s ARG 14 N -2.29 3.26 0.21 3.52 6.06 -1.22 -4.99 118.95 123.52 2br8 s ARG 14 Ca 0.35 -0.73 0.00 0.00 -2.50 0.00 0.00 55.73 52.85 2br8 s ARG 14 Cb 0.21 -2.62 0.00 0.00 0.06 0.00 0.00 34.95 32.60 2br8 s ARG 14 CO 0.42 0.08 0.00 0.45 -2.50 0.00 0.00 175.30 173.75 2br8 n SER 15 N 3.89 -4.39 -4.03 -2.12 2.88 -1.26 -4.72 113.62 103.87 2br8 n SER 15 Ca -0.19 0.53 -0.29 0.00 -1.33 0.00 0.00 58.87 57.60 2br8 n SER 15 Cb 0.52 -1.47 0.27 0.00 -0.75 0.00 0.00 64.21 62.77 2br8 n SER 15 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2br8 s PRO 16 N -4.73 -1.80 0.60 -1.46 0.02 -1.26 -4.85 135.00 121.52 2br8 s PRO 16 Ca 0.00 0.46 -0.16 0.00 0.02 0.00 0.00 61.00 61.32 2br8 s PRO 16 Cb 0.00 -1.48 -0.03 0.00 0.02 0.00 0.00 34.50 33.01 2br8 s PRO 16 CO 0.00 -4.21 1.08 1.41 -0.33 0.00 0.00 177.00 174.95 2br8 s MET 17 N -4.78 3.18 -0.07 5.54 1.75 -1.26 -4.95 119.30 118.71 2br8 s MET 17 Ca 0.69 1.31 -0.37 0.00 -1.25 0.00 0.00 55.69 56.07 2br8 s MET 17 Cb -0.19 -2.01 -0.15 0.00 2.84 0.00 0.00 34.83 35.32 2br8 s MET 17 CO 0.61 -0.93 1.63 0.98 -0.65 0.00 0.00 175.02 176.66 2br8 n TYR 18 N -2.02 1.99 1.97 4.11 9.36 -1.26 -4.85 117.16 126.45 2br8 n TYR 18 Ca 0.10 0.42 0.08 0.00 3.32 0.00 0.00 57.90 61.81 2br8 n TYR 18 Cb 0.52 -2.48 0.45 0.00 -0.63 0.00 0.00 39.34 37.21 2br8 n TYR 18 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2br8 n PRO 19 N 4.52 1.03 0.00 2.98 -0.04 -1.26 -4.79 135.00 137.43 2br8 n PRO 19 Ca 0.22 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2br8 n PRO 19 Cb 0.20 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.75 0.13 3.81 0.55 0.00 -1.26 -5.03 105.19 104.15 2br8 n GLY 20 Ca 0.12 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.24 3.01 0.16 1.61 0.04 -1.26 -5.06 135.00 131.26 2br8 s PRO 21 Ca 0.00 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2br8 s PRO 21 Cb 0.00 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 2br8 s PRO 21 CO 0.00 -1.05 0.07 0.25 0.04 0.00 0.00 177.00 176.32 2br8 n THR 22 N -2.89 0.00 0.06 1.26 -2.24 -0.75 -4.97 114.28 104.75 2br8 n THR 22 Ca 0.08 -0.99 -0.07 0.00 -2.27 0.00 0.00 64.05 60.80 2br8 n THR 22 Cb 0.53 0.39 0.09 0.00 -2.10 0.00 0.00 70.33 69.24 2br8 n THR 22 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2br8 h LYS 23 N 0.00 0.33 0.00 -0.78 3.64 -1.92 -2.74 116.57 115.09 2br8 h LYS 23 Ca -0.12 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2br8 h LYS 23 Cb 0.50 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2br8 h LYS 23 CO 0.19 0.84 -0.60 -0.25 -2.27 0.00 0.00 179.45 177.36 2br8 n ASP 24 N -3.88 0.58 -3.24 4.20 8.00 -1.26 -4.25 116.55 116.70 2br8 n ASP 24 Ca -0.03 -0.30 -0.25 0.00 0.71 0.00 0.00 54.79 54.91 2br8 n ASP 24 Cb 0.63 0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 42.04 2br8 n ASP 24 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2br8 n ASP 25 N -1.57 2.88 -4.78 -2.24 2.03 -1.13 -5.11 116.55 106.63 2br8 n ASP 25 Ca 0.05 -3.30 -0.34 0.00 0.52 0.00 0.00 54.79 51.72 2br8 n ASP 25 Cb 0.35 -0.63 0.02 0.00 -0.72 0.00 0.00 41.12 40.13 2br8 n ASP 25 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2br8 s PRO 26 N -2.44 3.16 -0.02 -0.67 0.02 -1.05 -1.80 135.00 132.20 2br8 s PRO 26 Ca 0.41 1.40 0.01 0.00 0.02 0.00 0.00 61.00 62.84 2br8 s PRO 26 Cb 0.21 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.74 2br8 s PRO 26 CO -0.07 -0.96 -0.04 -1.17 -0.33 0.00 0.00 177.00 174.42 2br8 s LEU 27 N -4.37 1.61 -0.28 -5.54 2.96 -0.49 -4.94 118.68 107.63 2br8 s LEU 27 Ca 0.68 -0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 54.37 2br8 s LEU 27 Cb -0.20 -0.34 -0.05 0.00 0.50 0.00 0.00 46.19 46.10 2br8 s LEU 27 CO 0.35 -0.00 0.23 -0.89 -1.32 0.00 0.00 176.35 174.72 2br8 s THR 28 N 0.45 5.28 -0.20 3.68 2.01 -1.26 -0.72 115.64 124.88 2br8 s THR 28 Ca -0.05 0.27 -0.05 0.00 0.31 0.00 0.00 61.69 62.17 2br8 s THR 28 Cb -0.09 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 2br8 s THR 28 CO -0.00 0.23 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.46 2br8 s VAL 29 N 1.81 3.96 -0.25 3.82 1.01 0.01 -4.42 120.40 126.33 2br8 s VAL 29 Ca 0.09 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 2br8 s VAL 29 Cb -0.16 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2br8 s VAL 29 CO 0.11 0.44 0.23 -0.89 0.00 0.00 0.00 175.10 174.98 2br8 s THR 30 N 0.92 5.30 0.05 3.92 2.01 0.55 -1.32 115.64 127.07 2br8 s THR 30 Ca 0.01 0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.34 2br8 s THR 30 Cb -0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2br8 s THR 30 CO 0.02 0.27 0.01 -0.22 -0.69 0.00 0.00 174.62 174.01 2br8 s LEU 31 N 1.48 3.51 -0.27 4.42 2.96 0.14 -1.75 118.68 129.18 2br8 s LEU 31 Ca 0.10 -0.09 -0.24 0.00 -0.22 0.00 0.00 54.13 53.67 2br8 s LEU 31 Cb -0.15 -2.15 0.09 0.00 0.50 0.00 0.00 46.19 44.48 2br8 s LEU 31 CO 0.08 0.22 0.82 -0.83 -1.32 0.00 0.00 176.35 175.32 2br8 s GLY 32 N -2.00 -0.42 -0.06 7.98 0.00 -0.81 -4.27 107.32 107.74 2br8 s GLY 32 Ca 0.23 2.27 0.04 0.00 0.00 0.00 0.00 44.72 47.27 2br8 s GLY 32 CO 0.15 1.83 -0.19 -1.36 0.00 0.00 0.00 173.10 173.53 2br8 s PHE 33 N 0.42 2.59 -0.40 1.90 0.08 -1.26 -0.14 117.98 121.17 2br8 s PHE 33 Ca 0.00 -0.43 -0.03 0.00 0.12 0.00 0.00 56.93 56.60 2br8 s PHE 33 Cb -0.05 -1.63 0.10 0.00 -0.57 0.00 0.00 43.02 40.87 2br8 s PHE 33 CO -0.03 -0.02 0.18 0.99 -0.10 0.00 0.00 175.22 176.25 2br8 s THR 34 N -0.40 3.26 -0.07 0.64 2.01 0.76 -1.69 115.64 120.16 2br8 s THR 34 Ca 0.04 -1.99 -0.30 0.00 0.31 0.00 0.00 61.69 59.75 2br8 s THR 34 Cb -0.12 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 2br8 s THR 34 CO 0.02 -0.64 1.26 -0.22 -0.69 0.00 0.00 174.62 174.36 2br8 s LEU 35 N 1.15 4.26 -0.25 4.42 2.96 -0.94 -0.52 118.68 129.77 2br8 s LEU 35 Ca 0.07 1.85 -0.01 0.00 -0.22 0.00 0.00 54.13 55.82 2br8 s LEU 35 Cb -0.22 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 42.76 2br8 s LEU 35 CO -0.04 -0.66 -0.24 1.67 -1.32 0.00 0.00 176.35 175.76 2br8 n GLN 36 N 5.63 0.61 -3.60 1.98 7.27 0.48 -3.55 117.38 126.19 2br8 n GLN 36 Ca 0.12 0.16 -0.12 0.00 0.07 0.00 0.00 57.00 57.24 2br8 n GLN 36 Cb 0.45 -1.49 -0.06 0.00 2.41 0.00 0.00 30.24 31.55 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 -6.57 -0.51 -0.38 1.69 2.15 -0.68 0.09 116.67 112.45 2br8 s ASP 37 Ca -0.34 0.83 -0.19 0.00 0.43 0.00 0.00 52.55 53.28 2br8 s ASP 37 Cb 0.10 0.78 0.01 0.00 -0.30 0.00 0.00 42.92 43.51 2br8 s ASP 37 CO 0.55 -0.28 0.54 -0.63 -0.17 0.00 0.00 175.17 175.18 2br8 s ILE 38 N -0.30 4.97 -0.17 4.11 1.01 -1.26 -0.36 121.20 129.20 2br8 s ILE 38 Ca -0.01 0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.67 2br8 s ILE 38 Cb -0.03 -4.04 -0.13 0.00 0.01 0.00 0.00 42.46 38.27 2br8 s ILE 38 CO -0.01 -0.35 0.14 0.58 0.00 0.00 0.00 174.94 175.30 2br8 h VAL 39 N 5.70 0.64 -4.01 2.92 2.07 -1.51 -3.43 116.25 118.63 2br8 h VAL 39 Ca -0.27 -1.70 -0.42 0.00 0.82 0.00 0.00 66.70 65.13 2br8 h VAL 39 Cb 1.11 1.42 -0.24 0.00 -1.52 0.00 0.00 31.29 32.07 2br8 h VAL 39 CO 0.81 0.22 -0.78 -0.75 0.02 0.00 0.00 177.57 177.08 2br8 s LYS 40 N -2.22 0.86 -0.11 1.57 2.20 -1.24 -4.98 119.74 115.82 2br8 s LYS 40 Ca -0.20 -0.76 0.02 0.00 -0.36 0.00 0.00 55.97 54.67 2br8 s LYS 40 Cb 0.03 -0.85 0.01 0.00 -1.51 0.00 0.00 37.83 35.51 2br8 s LYS 40 CO 0.42 0.20 -0.18 0.08 -0.36 0.00 0.00 175.35 175.52 2br8 s VAL 41 N -0.92 1.67 -0.18 4.02 1.01 -1.26 -1.55 120.40 123.18 2br8 s VAL 41 Ca 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 2br8 s VAL 41 Cb -0.08 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.81 2br8 s VAL 41 CO 0.01 0.47 -0.15 -0.62 0.00 0.00 0.00 175.10 174.82 2br8 s ASP 42 N 0.77 3.57 0.00 3.32 -1.08 0.24 -5.01 116.67 118.47 2br8 s ASP 42 Ca -0.10 -0.54 0.20 0.00 -0.52 0.00 0.00 52.55 51.59 2br8 s ASP 42 Cb -0.16 -1.57 -0.21 0.00 -1.46 0.00 0.00 42.92 39.52 2br8 s ASP 42 CO 0.01 0.02 0.59 -1.20 0.52 0.00 0.00 175.17 175.11 2br8 n SER 43 N 4.52 0.37 -0.07 -0.34 7.64 -1.26 -2.70 113.62 121.78 2br8 n SER 43 Ca -0.20 0.16 -0.13 0.00 1.01 0.00 0.00 58.87 59.71 2br8 n SER 43 Cb 0.51 1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 64.71 2br8 n SER 43 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2br8 h SER 44 N 0.00 0.57 -1.87 6.43 4.64 -1.99 -3.43 113.55 117.90 2br8 h SER 44 Ca -0.15 -0.47 -0.45 0.00 -0.47 0.00 0.00 61.79 60.25 2br8 h SER 44 Cb 1.39 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2br8 h SER 44 CO 0.02 0.92 -0.37 0.42 -0.87 0.00 0.00 176.83 176.95 2br8 s THR 45 N -4.34 4.21 -1.04 2.95 -4.23 -1.26 -5.04 115.64 106.89 2br8 s THR 45 Ca -0.13 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.29 2br8 s THR 45 Cb 0.07 -3.45 0.28 0.00 1.34 0.00 0.00 72.50 70.74 2br8 s THR 45 CO 0.79 -0.19 1.21 0.59 -0.54 0.00 0.00 174.62 176.48 2br8 n ASN 46 N -1.56 5.62 -4.13 3.99 3.02 -1.25 -4.61 115.26 116.33 2br8 n ASN 46 Ca -0.02 -3.25 -0.26 0.00 -0.03 0.00 0.00 54.58 51.03 2br8 n ASN 46 Cb 0.58 -1.24 -0.16 0.00 -0.61 0.00 0.00 39.78 38.36 2br8 n ASN 46 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2br8 s GLU 47 N -2.06 1.73 -0.01 3.52 2.02 -1.10 -0.35 118.70 122.45 2br8 s GLU 47 Ca 0.31 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.76 2br8 s GLU 47 Cb -0.01 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.69 2br8 s GLU 47 CO 0.00 0.25 -0.18 0.08 0.02 0.00 0.00 175.26 175.43 2br8 s VAL 48 N 0.00 1.45 -0.16 2.63 1.01 -0.34 -0.59 120.40 124.40 2br8 s VAL 48 Ca -0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2br8 s VAL 48 Cb -0.11 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2br8 s VAL 48 CO 0.02 0.40 -0.07 -1.81 0.00 0.00 0.00 175.10 173.64 2br8 s ASP 49 N -0.46 4.48 0.04 3.32 1.11 -0.60 -0.66 116.67 123.91 2br8 s ASP 49 Ca 0.07 -0.23 0.07 0.00 0.18 0.00 0.00 52.55 52.65 2br8 s ASP 49 Cb -0.07 -1.72 -0.02 0.00 1.07 0.00 0.00 42.92 42.17 2br8 s ASP 49 CO -0.01 0.14 -0.22 -0.76 1.18 0.00 0.00 175.17 175.51 2br8 s LEU 50 N 0.50 2.15 -0.16 1.23 1.43 0.88 -1.17 118.68 123.54 2br8 s LEU 50 Ca -0.05 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2br8 s LEU 50 Cb -0.15 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.04 2br8 s LEU 50 CO 0.03 0.18 -0.15 -0.69 0.23 0.00 0.00 176.35 175.96 2br8 s VAL 51 N -0.77 2.64 0.17 -1.59 1.01 0.51 -0.51 120.40 121.86 2br8 s VAL 51 Ca 0.08 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2br8 s VAL 51 Cb -0.09 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 2br8 s VAL 51 CO 0.02 0.51 0.31 -0.72 0.00 0.00 0.00 175.10 175.21 2br8 s TYR 52 N 0.94 0.33 -0.13 5.22 -0.85 -0.62 -0.38 117.35 121.86 2br8 s TYR 52 Ca -0.03 -0.70 -0.06 0.00 -0.52 0.00 0.00 57.07 55.77 2br8 s TYR 52 Cb -0.15 -0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.14 2br8 s TYR 52 CO -0.02 -0.74 0.08 0.71 -1.52 0.00 0.00 175.55 174.06 2br8 s TYR 53 N -3.95 3.38 -0.27 -3.49 2.02 0.33 -0.60 117.35 114.77 2br8 s TYR 53 Ca 0.16 0.32 0.01 0.00 -0.37 0.00 0.00 57.07 57.18 2br8 s TYR 53 Cb 0.03 -1.94 0.05 0.00 -0.40 0.00 0.00 41.96 39.70 2br8 s TYR 53 CO -0.01 0.51 -0.07 -2.00 -1.57 0.00 0.00 175.55 172.41 2br8 s GLU 54 N -0.61 2.42 -0.18 -0.62 2.12 -0.57 -0.17 118.70 121.09 2br8 s GLU 54 Ca 0.11 -1.25 -0.20 0.00 0.36 0.00 0.00 54.97 54.00 2br8 s GLU 54 Cb -0.12 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 2br8 s GLU 54 CO 0.02 -0.55 0.57 -1.14 -0.54 0.00 0.00 175.26 173.62 2br8 s GLN 55 N 1.19 4.23 -0.07 4.30 0.74 0.81 -3.02 119.66 127.83 2br8 s GLN 55 Ca -0.06 0.52 0.06 0.00 0.05 0.00 0.00 55.36 55.93 2br8 s GLN 55 Cb -0.19 -3.55 -0.01 0.00 1.10 0.00 0.00 33.01 30.36 2br8 s GLN 55 CO -0.04 -0.14 -0.24 -0.65 -0.55 0.00 0.00 175.29 173.67 2br8 s GLN 56 N 1.59 2.66 -0.05 1.67 -0.21 -0.03 -1.92 119.66 123.39 2br8 s GLN 56 Ca 0.27 -0.89 0.03 0.00 0.02 0.00 0.00 55.36 54.79 2br8 s GLN 56 Cb -0.16 -2.21 0.00 0.00 1.00 0.00 0.00 33.01 31.65 2br8 s GLN 56 CO 0.10 0.35 -0.13 1.03 -2.12 0.00 0.00 175.29 174.52 2br8 s ARG 57 N -0.07 1.56 0.35 2.91 0.52 -0.71 -1.96 118.95 121.54 2br8 s ARG 57 Ca -0.06 -0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 54.64 2br8 s ARG 57 Cb -0.14 -1.34 0.01 0.00 0.52 0.00 0.00 34.95 33.99 2br8 s ARG 57 CO 0.05 0.13 0.51 1.67 0.02 0.00 0.00 175.30 177.68 2br8 s TRP 58 N 0.30 0.93 -0.05 -0.53 -2.14 -0.98 -0.33 118.94 116.13 2br8 s TRP 58 Ca -0.08 -1.22 -0.02 0.00 2.66 0.00 0.00 56.10 57.45 2br8 s TRP 58 Cb -0.12 0.04 0.04 0.00 -3.10 0.00 0.00 33.47 30.32 2br8 s TRP 58 CO 0.02 -1.19 0.10 0.21 -2.66 0.00 0.00 176.95 173.43 2br8 s LYS 59 N -2.98 0.02 -0.11 3.25 2.20 -1.26 -0.48 119.74 120.38 2br8 s LYS 59 Ca 0.28 0.33 0.01 0.00 -0.36 0.00 0.00 55.97 56.24 2br8 s LYS 59 Cb -0.01 -0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.05 2br8 s LYS 59 CO 0.19 -0.20 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.32 2br8 s LEU 60 N 1.38 2.61 0.29 5.43 1.43 -0.58 -4.94 118.68 124.31 2br8 s LEU 60 Ca -0.06 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2br8 s LEU 60 Cb -0.12 -1.56 0.45 0.00 0.03 0.00 0.00 46.19 44.98 2br8 s LEU 60 CO -0.05 0.20 1.78 0.78 0.23 0.00 0.00 176.35 179.30 2br8 h ASN 61 N 6.40 0.56 0.57 2.29 2.35 -1.90 -3.09 115.58 122.77 2br8 h ASN 61 Ca -0.29 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2br8 h ASN 61 Cb 1.20 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2br8 h ASN 61 CO 0.53 0.71 0.00 -1.54 -1.65 0.00 0.00 177.43 175.48 2br8 n SER 62 N -4.20 0.58 -2.00 5.81 3.41 -1.26 -2.49 113.62 113.48 2br8 n SER 62 Ca 0.01 0.66 -0.22 0.00 -0.26 0.00 0.00 58.87 59.06 2br8 n SER 62 Cb 0.33 -0.78 0.15 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.16 6.25 -4.92 1.04 4.77 -1.17 -4.99 117.00 115.83 2br8 n LEU 63 Ca 0.02 -3.87 -0.30 0.00 -0.03 0.00 0.00 56.01 51.83 2br8 n LEU 63 Cb 0.19 -0.80 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 2br8 n LEU 63 CO 0.17 1.25 -0.09 -0.04 -1.33 0.00 0.00 177.39 177.35 2br8 s MET 64 N -3.42 3.48 0.10 3.23 -1.94 -1.04 -3.85 119.30 115.86 2br8 s MET 64 Ca 0.56 -0.40 -0.16 0.00 -1.71 0.00 0.00 55.69 53.97 2br8 s MET 64 Cb 0.47 -2.97 0.03 0.00 2.01 0.00 0.00 34.83 34.37 2br8 s MET 64 CO 0.05 0.55 0.40 1.67 -0.01 0.00 0.00 175.02 177.68 2br8 s TRP 65 N -1.62 -0.21 -0.23 -0.03 -2.14 -1.00 -5.00 118.94 108.71 2br8 s TRP 65 Ca 0.36 -0.04 -0.20 0.00 2.66 0.00 0.00 56.10 58.88 2br8 s TRP 65 Cb -0.12 0.24 -0.02 0.00 -3.10 0.00 0.00 33.47 30.47 2br8 s TRP 65 CO 0.28 -0.67 0.61 0.34 -2.66 0.00 0.00 176.95 174.85 2br8 s ASP 66 N -2.61 6.59 0.27 -2.66 2.15 -1.26 -4.69 116.67 114.46 2br8 s ASP 66 Ca 0.01 0.72 0.00 0.00 0.43 0.00 0.00 52.55 53.71 2br8 s ASP 66 Cb 0.01 -2.33 0.62 0.00 -0.30 0.00 0.00 42.92 40.92 2br8 s ASP 66 CO -0.10 -0.31 1.69 -0.65 -0.17 0.00 0.00 175.17 175.63 2br8 h PRO 67 N 7.75 0.33 -1.00 4.34 0.11 -1.93 -2.83 132.00 138.77 2br8 h PRO 67 Ca -0.29 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.95 2br8 h PRO 67 Cb 1.13 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.08 2br8 h PRO 67 CO 0.76 0.22 0.62 -0.91 -0.21 0.00 0.00 178.00 178.49 2br8 h ASN 68 N 0.34 0.86 0.29 -2.05 2.35 -1.91 0.29 115.58 115.76 2br8 h ASN 68 Ca 0.50 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.31 2br8 h ASN 68 Cb 0.91 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.18 2br8 h ASN 68 CO -0.53 0.41 0.00 -0.62 -1.65 0.00 0.00 177.43 175.04 2br8 n GLU 69 N -4.66 0.58 -2.64 0.81 1.02 -1.07 -3.56 120.64 111.12 2br8 n GLU 69 Ca 0.20 0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.27 2br8 n GLU 69 Cb 0.44 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.39 2br8 n GLU 69 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2br8 n TYR 70 N -1.17 1.60 -3.53 -0.32 4.01 -0.20 -4.99 117.16 112.57 2br8 n TYR 70 Ca 0.16 -2.54 -0.26 0.00 -0.16 0.00 0.00 57.90 55.10 2br8 n TYR 70 Cb 0.16 -0.29 0.03 0.00 -0.31 0.00 0.00 39.34 38.94 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 -0.36 -0.51 2.32 2.72 0.00 -1.15 -2.76 105.19 105.44 2br8 n GLY 71 Ca 0.15 0.17 -0.15 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.67 -4.58 -4.68 1.61 5.03 0.84 -4.99 115.26 105.82 2br8 n ASN 72 Ca -0.01 0.07 -0.42 0.00 0.87 0.00 0.00 54.58 55.09 2br8 n ASN 72 Cb 0.56 -3.64 -0.03 0.00 -1.02 0.00 0.00 39.78 35.65 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 -2.70 4.25 -0.13 2.41 1.01 -1.11 -4.92 121.20 120.00 2br8 s ILE 73 Ca 0.00 1.56 0.20 0.00 0.00 0.00 0.00 60.65 62.41 2br8 s ILE 73 Cb 0.00 -4.00 -0.18 0.00 0.01 0.00 0.00 42.46 38.29 2br8 s ILE 73 CO 0.00 -0.04 0.67 0.35 0.00 0.00 0.00 174.94 175.92 2br8 n THR 74 N 4.82 0.72 -3.62 2.92 -2.24 -1.26 -4.29 114.28 111.32 2br8 n THR 74 Ca 0.12 -0.62 -0.05 0.00 -2.27 0.00 0.00 64.05 61.22 2br8 n THR 74 Cb 0.46 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 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 -5.25 -0.25 0.05 3.42 3.84 -1.26 -1.26 116.67 115.95 2br8 s ASP 75 Ca -0.05 -0.18 -0.16 0.00 -0.00 0.00 0.00 52.55 52.16 2br8 s ASP 75 Cb 0.10 0.40 0.03 0.00 -1.38 0.00 0.00 42.92 42.07 2br8 s ASP 75 CO 0.84 -0.70 0.37 0.72 -0.00 0.00 0.00 175.17 176.40 2br8 s PHE 76 N -3.10 -0.20 0.06 2.11 -0.12 -0.42 -5.00 117.98 111.32 2br8 s PHE 76 Ca 0.09 0.11 -0.15 0.00 -0.05 0.00 0.00 56.93 56.92 2br8 s PHE 76 Cb -0.01 0.17 -0.06 0.00 -0.63 0.00 0.00 43.02 42.49 2br8 s PHE 76 CO -0.04 -0.55 0.48 1.03 -0.05 0.00 0.00 175.22 176.09 2br8 s ARG 77 N -2.57 3.99 0.04 1.99 1.81 -1.26 -0.89 118.95 122.06 2br8 s ARG 77 Ca -0.05 0.49 -0.15 0.00 -1.72 0.00 0.00 55.73 54.31 2br8 s ARG 77 Cb -0.01 -3.14 0.02 0.00 -0.45 0.00 0.00 34.95 31.38 2br8 s ARG 77 CO -0.03 0.62 0.33 -0.08 -0.68 0.00 0.00 175.30 175.46 2br8 s THR 78 N -1.20 0.07 0.26 0.02 -1.32 0.59 -4.99 115.64 109.08 2br8 s THR 78 Ca 0.29 -0.61 -0.30 0.00 -1.21 0.00 0.00 61.69 59.86 2br8 s THR 78 Cb -0.17 -0.91 -0.14 0.00 -1.51 0.00 0.00 72.50 69.77 2br8 s THR 78 CO 0.17 -0.34 1.31 -0.24 -2.21 0.00 0.00 174.62 173.31 2br8 n SER 79 N 0.62 2.41 0.00 8.08 2.88 -1.26 -0.17 113.62 126.19 2br8 n SER 79 Ca -0.19 1.16 0.07 0.00 -1.33 0.00 0.00 58.87 58.58 2br8 n SER 79 Cb 0.59 -1.40 0.40 0.00 -0.75 0.00 0.00 64.21 63.06 2br8 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2br8 n ALA 80 N 1.35 2.10 0.20 -1.46 0.00 0.13 -1.87 120.51 120.96 2br8 n ALA 80 Ca 0.10 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.57 2br8 n ALA 80 Cb 0.32 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2br8 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2br8 n ALA 81 N -0.90 2.71 0.62 0.00 0.00 -1.26 -3.84 120.51 117.83 2br8 n ALA 81 Ca 0.10 -0.29 0.08 0.00 0.00 0.00 0.00 53.44 53.34 2br8 n ALA 81 Cb 0.05 -1.06 0.38 0.00 0.00 0.00 0.00 19.45 18.81 2br8 n ALA 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2br8 n ASP 82 N -2.48 0.00 -4.00 0.00 8.00 -0.78 -4.86 116.55 112.44 2br8 n ASP 82 Ca 0.00 0.43 -0.09 0.00 0.71 0.00 0.00 54.79 55.85 2br8 n ASP 82 Cb 0.53 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 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 -2.93 0.15 0.15 0.53 -4.36 -1.25 -4.99 121.20 108.50 2br8 s ILE 83 Ca 0.09 -1.21 -0.31 0.00 -0.26 0.00 0.00 60.65 58.96 2br8 s ILE 83 Cb 0.11 -0.79 -0.10 0.00 1.25 0.00 0.00 42.46 42.94 2br8 s ILE 83 CO 0.30 -0.67 1.52 0.86 0.24 0.00 0.00 174.94 177.20 2br8 s TRP 84 N -2.46 3.11 0.16 1.37 -0.00 -1.26 -4.97 118.94 114.89 2br8 s TRP 84 Ca -0.06 0.71 0.09 0.00 -0.00 0.00 0.00 56.10 56.83 2br8 s TRP 84 Cb -0.02 -3.87 -0.04 0.00 -0.00 0.00 0.00 33.47 29.54 2br8 s TRP 84 CO -0.04 -3.16 -0.20 0.95 -0.00 0.00 0.00 176.95 174.49 2br8 s THR 85 N 1.13 1.93 0.59 5.86 -4.23 -1.26 -5.08 115.64 114.57 2br8 s THR 85 Ca 0.69 -1.86 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 2br8 s THR 85 Cb -0.42 -1.85 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 2br8 s THR 85 CO 0.31 -0.21 1.12 -2.84 -0.54 0.00 0.00 174.62 172.46 2br8 s PRO 86 N -2.57 3.12 -0.68 3.99 0.02 -1.26 -4.92 135.00 132.70 2br8 s PRO 86 Ca 0.15 1.51 -0.03 0.00 0.02 0.00 0.00 61.00 62.65 2br8 s PRO 86 Cb -0.07 -1.98 0.17 0.00 0.02 0.00 0.00 34.50 32.63 2br8 s PRO 86 CO 0.07 -1.02 2.47 -0.40 -0.33 0.00 0.00 177.00 177.79 2br8 n ASP 87 N -1.79 6.98 -4.64 2.53 5.75 -1.26 -4.96 116.55 119.15 2br8 n ASP 87 Ca 0.11 -3.42 -0.43 0.00 -0.01 0.00 0.00 54.79 51.04 2br8 n ASP 87 Cb 0.51 -1.19 -0.02 0.00 -1.03 0.00 0.00 41.12 39.39 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 -3.11 4.53 0.09 2.12 -1.09 -1.26 -2.42 121.20 120.05 2br8 s ILE 88 Ca 0.55 1.79 0.09 0.00 -2.23 0.00 0.00 60.65 60.85 2br8 s ILE 88 Cb 0.37 -4.36 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 2br8 s ILE 88 CO -0.27 -0.38 -0.23 -0.89 -1.23 0.00 0.00 174.94 171.94 2br8 s THR 89 N 3.55 1.85 0.23 2.92 2.01 0.10 -4.89 115.64 121.41 2br8 s THR 89 Ca 0.46 -1.48 -0.30 0.00 0.31 0.00 0.00 61.69 60.68 2br8 s THR 89 Cb -0.13 -1.64 -0.09 0.00 0.01 0.00 0.00 72.50 70.64 2br8 s THR 89 CO 0.13 0.08 1.31 0.00 -0.69 0.00 0.00 174.62 175.45 2br8 s ALA 90 N -1.01 3.52 -1.18 7.40 0.00 -1.26 -1.06 121.76 128.18 2br8 s ALA 90 Ca 0.09 1.14 0.25 0.00 0.00 0.00 0.00 51.96 53.44 2br8 s ALA 90 Cb -0.10 -3.48 0.50 0.00 0.00 0.00 0.00 23.12 20.05 2br8 s ALA 90 CO 0.04 -0.55 1.41 0.66 0.00 0.00 0.00 175.76 177.32 2br8 n TYR 91 N 2.17 0.00 -2.36 0.00 4.01 0.51 -4.30 117.16 117.20 2br8 n TYR 91 Ca 0.05 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.82 2br8 n TYR 91 Cb 0.42 -0.20 0.06 0.00 -0.31 0.00 0.00 39.34 39.31 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 -1.30 1.27 -4.65 7.72 3.41 -1.26 -5.01 113.62 113.80 2br8 n SER 92 Ca 0.07 -2.39 -0.29 0.00 -0.26 0.00 0.00 58.87 56.00 2br8 n SER 92 Cb 0.34 -0.36 0.17 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.42 2.67 0.00 4.04 1.04 -1.26 -1.59 113.70 116.18 2br8 s SER 93 Ca 0.34 1.59 0.00 0.00 0.48 0.00 0.00 55.95 58.36 2br8 s SER 93 Cb 0.38 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 64.25 2br8 s SER 93 CO -0.14 -3.16 0.00 0.35 0.98 0.00 0.00 173.24 171.27 2br8 n THR 94 N -4.23 0.00 -4.06 2.02 -2.24 -0.05 -4.76 114.28 100.95 2br8 n THR 94 Ca 0.07 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 2br8 n THR 94 Cb 0.55 0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.82 0.53 0.13 -0.78 0.52 -1.25 -5.06 118.95 112.22 2br8 s ARG 95 Ca 0.00 -0.95 -0.35 0.00 -0.52 0.00 0.00 55.73 53.91 2br8 s ARG 95 Cb 0.00 0.01 -0.15 0.00 0.52 0.00 0.00 34.95 35.32 2br8 s ARG 95 CO 0.00 -0.04 1.42 -2.30 0.02 0.00 0.00 175.30 174.39 2br8 n PRO 96 N 0.84 1.56 -2.13 3.54 -0.02 -1.26 -4.66 135.00 132.87 2br8 n PRO 96 Ca -0.19 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 2br8 n PRO 96 Cb 0.58 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 2br8 n PRO 96 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2br8 s VAL 97 N 0.57 2.88 -0.18 -1.45 0.11 -1.26 -4.88 120.40 116.19 2br8 s VAL 97 Ca 0.81 0.79 -0.09 0.00 -2.93 0.00 0.00 61.98 60.56 2br8 s VAL 97 Cb -0.83 -3.50 -0.05 0.00 -1.53 0.00 0.00 36.38 30.47 2br8 s VAL 97 CO 0.44 0.15 0.10 -1.10 -3.33 0.00 0.00 175.10 171.36 2br8 s GLN 98 N -0.85 3.99 -0.12 1.54 -0.21 -0.48 -4.97 119.66 118.56 2br8 s GLN 98 Ca 0.54 -0.26 -0.19 0.00 0.02 0.00 0.00 55.36 55.48 2br8 s GLN 98 Cb -0.39 -3.30 -0.04 0.00 1.00 0.00 0.00 33.01 30.28 2br8 s GLN 98 CO 0.45 0.36 0.50 0.08 -2.12 0.00 0.00 175.29 174.57 2br8 s VAL 99 N 0.15 5.17 -0.73 1.09 1.01 -1.26 -0.89 120.40 124.93 2br8 s VAL 99 Ca 0.07 1.00 0.10 0.00 0.00 0.00 0.00 61.98 63.15 2br8 s VAL 99 Cb -0.12 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2br8 s VAL 99 CO -0.00 0.30 0.54 0.18 0.00 0.00 0.00 175.10 176.12 2br8 n LEU 100 N 3.79 0.92 -4.20 3.92 4.32 -0.01 -4.98 117.00 120.76 2br8 n LEU 100 Ca -0.06 -0.67 -0.12 0.00 -0.02 0.00 0.00 56.01 55.14 2br8 n LEU 100 Cb 0.51 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.21 2br8 n LEU 100 CO 0.43 0.19 -0.31 -0.94 -1.22 0.00 0.00 177.39 175.54 2br8 s SER 101 N -1.54 0.83 0.59 -1.43 1.04 -1.25 -4.89 113.70 107.04 2br8 s SER 101 Ca 0.06 -1.19 -0.20 0.00 0.48 0.00 0.00 55.95 55.11 2br8 s SER 101 Cb 0.08 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 2br8 s SER 101 CO 0.30 -0.64 1.26 -2.65 0.98 0.00 0.00 173.24 172.48 2br8 n PRO 102 N -0.18 1.34 -3.39 4.02 -0.02 -1.26 -4.84 135.00 130.67 2br8 n PRO 102 Ca -0.06 0.51 -0.44 0.00 -2.02 0.00 0.00 63.50 61.49 2br8 n PRO 102 Cb 0.63 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 2br8 n PRO 102 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2br8 s GLN 103 N -3.00 3.97 -0.07 -0.52 -1.52 -1.26 -4.85 119.66 112.40 2br8 s GLN 103 Ca 0.76 -3.14 0.02 0.00 -1.95 0.00 0.00 55.36 51.05 2br8 s GLN 103 Cb -0.41 -4.44 0.01 0.00 -0.22 0.00 0.00 33.01 27.96 2br8 s GLN 103 CO 0.46 -1.25 -0.14 0.42 -0.25 0.00 0.00 175.29 174.53 2br8 s ILE 104 N -1.12 1.29 0.22 1.08 1.01 -1.26 0.19 121.20 122.61 2br8 s ILE 104 Ca 0.29 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.46 2br8 s ILE 104 Cb -0.10 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 2br8 s ILE 104 CO -0.09 0.39 -0.01 0.00 0.00 0.00 0.00 174.94 175.23 2br8 s ALA 105 N 0.65 3.15 -0.13 9.38 0.00 0.76 -4.61 121.76 130.97 2br8 s ALA 105 Ca -0.14 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.24 2br8 s ALA 105 Cb -0.16 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2br8 s ALA 105 CO 0.04 0.36 0.04 0.54 0.00 0.00 0.00 175.76 176.74 2br8 s VAL 106 N -2.04 4.58 -0.12 0.00 0.11 -0.57 -0.30 120.40 122.07 2br8 s VAL 106 Ca 0.29 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.23 2br8 s VAL 106 Cb -0.08 -3.00 -0.01 0.00 -1.53 0.00 0.00 36.38 31.77 2br8 s VAL 106 CO 0.19 0.54 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.64 2br8 s VAL 107 N -0.29 2.63 0.18 2.04 1.01 -0.07 -1.69 120.40 124.22 2br8 s VAL 107 Ca 0.07 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2br8 s VAL 107 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2br8 s VAL 107 CO 0.02 0.54 0.21 -0.89 0.00 0.00 0.00 175.10 174.98 2br8 s THR 108 N 0.42 4.84 0.59 3.92 2.01 -0.71 -1.30 115.64 125.41 2br8 s THR 108 Ca -0.13 -0.98 0.28 0.00 0.31 0.00 0.00 61.69 61.18 2br8 s THR 108 Cb -0.17 -3.51 0.36 0.00 0.01 0.00 0.00 72.50 69.19 2br8 s THR 108 CO 0.06 -0.15 2.15 1.12 -0.69 0.00 0.00 174.62 177.11 2br8 h HIS 109 N 2.09 0.00 0.00 4.92 2.07 -1.47 0.31 115.15 123.07 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 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 2br8 h HIS 109 CO 0.55 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.01 2br8 n ASP 110 N -3.86 0.00 0.00 3.10 5.75 -1.26 -2.37 116.55 117.91 2br8 n ASP 110 Ca -0.00 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 2br8 n ASP 110 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 2br8 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2br8 n GLY 111 N 0.66 1.00 3.82 6.12 0.00 0.11 -4.83 105.19 112.07 2br8 n GLY 111 Ca 0.09 0.00 -0.33 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 -3.03 6.93 -0.02 1.61 1.04 -1.25 -1.52 113.70 117.46 2br8 s SER 112 Ca 0.00 1.67 0.05 0.00 0.48 0.00 0.00 55.95 58.14 2br8 s SER 112 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 2br8 s SER 112 CO 0.00 -0.35 -0.17 -0.69 0.98 0.00 0.00 173.24 173.01 2br8 s VAL 113 N -2.17 1.34 -0.01 5.02 1.01 0.37 -1.73 120.40 124.23 2br8 s VAL 113 Ca 0.62 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2br8 s VAL 113 Cb -0.09 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 2br8 s VAL 113 CO 0.13 0.38 -0.13 -0.32 0.00 0.00 0.00 175.10 175.16 2br8 s MET 114 N -0.23 1.08 -0.12 2.72 0.00 -0.68 -2.33 119.30 119.75 2br8 s MET 114 Ca 0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 55.69 55.20 2br8 s MET 114 Cb -0.08 -1.04 0.06 0.00 0.00 0.00 0.00 34.83 33.77 2br8 s MET 114 CO 0.00 0.28 0.22 0.12 0.00 0.00 0.00 175.02 175.64 2br8 s PHE 115 N -0.30 -0.32 -0.62 4.11 5.36 -0.83 -1.51 117.98 123.88 2br8 s PHE 115 Ca 0.05 0.76 0.05 0.00 -0.96 0.00 0.00 56.93 56.83 2br8 s PHE 115 Cb -0.05 -0.16 0.19 0.00 -0.34 0.00 0.00 43.02 42.66 2br8 s PHE 115 CO -0.00 -0.35 0.50 -0.89 -1.46 0.00 0.00 175.22 173.02 2br8 n ILE 116 N 5.34 1.02 -2.69 3.12 5.41 -1.26 -0.85 119.36 129.45 2br8 n ILE 116 Ca -0.05 -4.57 -0.41 0.00 1.00 0.00 0.00 62.75 58.72 2br8 n ILE 116 Cb 0.50 -2.05 -0.05 0.00 -0.71 0.00 0.00 39.64 37.33 2br8 n ILE 116 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2br8 s PRO 117 N -1.29 4.75 0.17 0.38 0.04 -1.17 -4.78 135.00 133.10 2br8 s PRO 117 Ca 0.30 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 2br8 s PRO 117 Cb 0.02 -3.31 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 2br8 s PRO 117 CO -0.15 0.32 0.69 0.00 0.04 0.00 0.00 177.00 177.91 2br8 s ALA 118 N -0.61 3.47 -0.06 8.56 0.00 -1.26 -1.50 121.76 130.36 2br8 s ALA 118 Ca 0.45 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 2br8 s ALA 118 Cb -0.26 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.09 2br8 s ALA 118 CO 0.32 0.34 0.31 -0.65 0.00 0.00 0.00 175.76 176.08 2br8 s GLN 119 N -1.56 0.54 -0.20 0.00 -0.21 0.23 -0.83 119.66 117.64 2br8 s GLN 119 Ca 0.38 0.06 -0.07 0.00 0.02 0.00 0.00 55.36 55.75 2br8 s GLN 119 Cb -0.19 0.25 -0.04 0.00 1.00 0.00 0.00 33.01 34.03 2br8 s GLN 119 CO 0.22 -0.12 0.05 0.50 -2.12 0.00 0.00 175.29 173.81 2br8 s ARG 120 N -0.73 3.83 -0.10 2.91 3.52 -0.07 -1.59 118.95 126.72 2br8 s ARG 120 Ca -0.08 -0.41 0.04 0.00 -0.13 0.00 0.00 55.73 55.15 2br8 s ARG 120 Cb -0.04 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 2br8 s ARG 120 CO 0.03 0.13 -0.24 -1.17 -0.81 0.00 0.00 175.30 173.24 2br8 s LEU 121 N 0.74 2.09 -0.20 -0.88 2.96 0.34 -1.38 118.68 122.35 2br8 s LEU 121 Ca 0.03 -0.56 -0.13 0.00 -0.22 0.00 0.00 54.13 53.25 2br8 s LEU 121 Cb -0.14 -1.41 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 2br8 s LEU 121 CO 0.02 0.16 0.26 -0.44 -1.32 0.00 0.00 176.35 175.02 2br8 s SER 122 N 0.37 6.30 0.15 3.68 0.01 -1.26 -0.09 113.70 122.86 2br8 s SER 122 Ca -0.18 0.35 -0.03 0.00 1.31 0.00 0.00 55.95 57.40 2br8 s SER 122 Cb -0.18 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 2br8 s SER 122 CO 0.08 0.05 0.11 0.72 0.41 0.00 0.00 173.24 174.62 2br8 s PHE 123 N 0.87 0.79 -0.28 2.43 -0.12 0.17 -0.87 117.98 120.98 2br8 s PHE 123 Ca 0.13 -1.15 -0.29 0.00 -0.05 0.00 0.00 56.93 55.57 2br8 s PHE 123 Cb -0.13 -0.40 -0.01 0.00 -0.63 0.00 0.00 43.02 41.85 2br8 s PHE 123 CO 0.04 -0.58 1.53 -1.64 -0.05 0.00 0.00 175.22 174.53 2br8 s MET 124 N -4.04 3.74 -0.24 1.99 -1.94 -0.62 -1.20 119.30 116.99 2br8 s MET 124 Ca 0.24 1.44 -0.06 0.00 -1.71 0.00 0.00 55.69 55.60 2br8 s MET 124 Cb 0.06 -4.01 0.12 0.00 2.01 0.00 0.00 34.83 33.01 2br8 s MET 124 CO 0.03 -1.35 0.48 0.00 -0.01 0.00 0.00 175.02 174.17 2br8 s ASP 126 N 2.69 6.15 0.10 0.00 -1.08 -1.26 -3.16 116.67 120.12 2br8 s ASP 126 Ca 0.02 0.37 0.27 0.00 -0.52 0.00 0.00 52.55 52.69 2br8 s ASP 126 Cb -0.13 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.72 2br8 s ASP 126 CO -0.15 -1.68 1.78 -0.81 0.52 0.00 0.00 175.17 174.83 2br8 n PRO 127 N 8.57 0.14 -1.15 4.34 -0.04 -1.26 -4.89 135.00 140.72 2br8 n PRO 127 Ca 0.13 0.10 -0.45 0.00 -0.04 0.00 0.00 63.50 63.25 2br8 n PRO 127 Cb 0.49 -1.65 -0.06 0.00 -0.04 0.00 0.00 33.50 32.23 2br8 n PRO 127 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2br8 n THR 128 N -1.89 0.00 -0.49 0.52 -1.04 -1.26 -1.18 114.28 108.94 2br8 n THR 128 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2br8 n THR 128 Cb 0.39 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 2br8 n THR 128 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2br8 n GLY 129 N 1.99 0.75 0.23 3.41 0.00 -1.26 -4.76 105.19 105.55 2br8 n GLY 129 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 0.90 -0.06 1.61 3.04 -1.35 -2.81 116.25 117.58 2br8 h VAL 130 Ca 0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 2br8 h VAL 130 Cb 0.00 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 2br8 h VAL 130 CO 0.00 0.21 0.00 -0.90 -1.01 0.00 0.00 177.57 175.87 2br8 n ASP 131 N -3.91 1.68 -3.47 3.17 3.85 -1.26 -1.33 116.55 115.28 2br8 n ASP 131 Ca -0.02 -1.59 -0.18 0.00 -0.71 0.00 0.00 54.79 52.28 2br8 n ASP 131 Cb 0.30 -0.03 0.12 0.00 -1.35 0.00 0.00 41.12 40.16 2br8 n ASP 131 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 2br8 n SER 132 N 0.32 0.40 0.15 -1.12 3.41 -1.06 -4.90 113.62 110.81 2br8 n SER 132 Ca 0.18 -1.50 0.03 0.00 -0.26 0.00 0.00 58.87 57.32 2br8 n SER 132 Cb 0.37 -0.60 0.12 0.00 -0.26 0.00 0.00 64.21 63.84 2br8 n SER 132 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2br8 h GLU 133 N 0.00 0.00 0.00 4.33 4.81 -1.90 -3.27 114.58 118.55 2br8 h GLU 133 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2br8 h GLU 133 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2br8 h GLU 133 CO 0.22 0.49 -0.99 0.39 -0.73 0.00 0.00 179.01 178.39 2br8 n GLU 134 N -3.32 0.27 0.00 1.92 1.02 -1.26 -5.04 120.64 114.23 2br8 n GLU 134 Ca 0.01 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2br8 n GLU 134 Cb 0.68 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 2br8 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2br8 n GLY 135 N 1.38 1.24 3.07 0.62 0.00 -1.22 -4.83 105.19 105.45 2br8 n GLY 135 Ca 0.02 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 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 0.10 -0.09 1.61 0.11 -0.21 -4.39 120.40 117.54 2br8 s VAL 136 Ca 0.00 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.21 2br8 s VAL 136 Cb 0.00 -0.47 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 2br8 s VAL 136 CO 0.00 -0.46 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.38 2br8 s THR 137 N -1.63 3.92 0.02 5.04 2.01 -1.26 -1.27 115.64 122.46 2br8 s THR 137 Ca -0.13 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.48 2br8 s THR 137 Cb -0.07 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 2br8 s THR 137 CO -0.00 0.59 -0.03 0.00 -0.69 0.00 0.00 174.62 174.48 2br8 s ALA 139 N -1.01 0.88 -0.02 0.00 0.00 -1.26 -0.54 121.76 119.80 2br8 s ALA 139 Ca -0.10 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2br8 s ALA 139 Cb -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2br8 s ALA 139 CO -0.00 0.20 -0.07 0.54 0.00 0.00 0.00 175.76 176.42 2br8 s VAL 140 N -0.15 0.63 -0.01 0.00 0.11 -0.55 -4.90 120.40 115.52 2br8 s VAL 140 Ca 0.02 -0.29 -0.08 0.00 -2.93 0.00 0.00 61.98 58.71 2br8 s VAL 140 Cb -0.05 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.19 2br8 s VAL 140 CO -0.00 0.20 0.27 -0.54 -3.33 0.00 0.00 175.10 171.70 2br8 s LYS 141 N 0.18 3.62 -0.07 1.54 1.02 -1.26 -0.11 119.74 124.65 2br8 s LYS 141 Ca -0.02 0.01 0.04 0.00 0.02 0.00 0.00 55.97 56.02 2br8 s LYS 141 Cb -0.07 -3.12 -0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2br8 s LYS 141 CO 0.00 0.68 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.83 2br8 s PHE 142 N -1.21 2.22 0.32 3.18 0.08 0.50 -0.36 117.98 122.71 2br8 s PHE 142 Ca 0.25 -0.80 -0.18 0.00 0.12 0.00 0.00 56.93 56.32 2br8 s PHE 142 Cb -0.14 -1.49 0.06 0.00 -0.57 0.00 0.00 43.02 40.88 2br8 s PHE 142 CO 0.13 -0.31 0.85 0.20 -0.10 0.00 0.00 175.22 175.99 2br8 s GLY 143 N 0.22 0.25 0.36 4.36 0.00 -0.22 -0.79 107.32 111.49 2br8 s GLY 143 Ca -0.12 -0.59 -0.28 0.00 0.00 0.00 0.00 44.72 43.73 2br8 s GLY 143 CO 0.06 0.33 1.47 -0.45 0.00 0.00 0.00 173.10 174.50 2br8 s SER 144 N -3.13 6.42 0.14 1.64 0.15 -1.26 0.02 113.70 117.68 2br8 s SER 144 Ca 0.16 2.98 0.08 0.00 0.70 0.00 0.00 55.95 59.87 2br8 s SER 144 Cb -0.04 -2.66 -0.13 0.00 -1.71 0.00 0.00 66.02 61.47 2br8 s SER 144 CO 0.09 -0.82 1.33 -0.25 1.20 0.00 0.00 173.24 174.79 2br8 h TRP 145 N 3.28 0.00 0.00 3.44 2.91 -1.83 -3.40 115.95 120.34 2br8 h TRP 145 Ca -0.50 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.52 2br8 h TRP 145 Cb 1.23 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 2br8 h TRP 145 CO 0.54 0.94 0.00 1.33 -1.03 0.00 0.00 178.44 180.22 2br8 n VAL 146 N -3.40 0.00 -5.02 2.65 0.24 -1.26 -5.04 118.33 106.49 2br8 n VAL 146 Ca -0.00 -0.37 -0.32 0.00 -2.04 0.00 0.00 64.34 61.60 2br8 n VAL 146 Cb 0.89 1.05 -0.16 0.00 -1.47 0.00 0.00 33.84 34.16 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 -0.59 2.67 1.06 6.34 2.02 -1.26 -5.12 117.35 122.46 2br8 s TYR 147 Ca 0.00 -0.83 -0.17 0.00 -0.37 0.00 0.00 57.07 55.70 2br8 s TYR 147 Cb 0.00 -1.76 0.23 0.00 -0.40 0.00 0.00 41.96 40.03 2br8 s TYR 147 CO 0.00 -0.30 1.21 -1.54 -1.57 0.00 0.00 175.55 173.35 2br8 s SER 148 N 0.29 2.23 0.66 2.29 1.04 -1.26 -4.66 113.70 114.30 2br8 s SER 148 Ca -0.14 0.50 0.43 0.00 0.48 0.00 0.00 55.95 57.22 2br8 s SER 148 Cb -0.17 -0.69 2.38 0.00 0.10 0.00 0.00 66.02 67.65 2br8 s SER 148 CO 0.07 -3.30 2.37 1.23 0.98 0.00 0.00 173.24 174.59 2br8 h GLY 149 N -2.02 0.00 2.00 7.32 0.00 -0.77 -0.75 103.07 108.85 2br8 h GLY 149 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2br8 h GLY 149 CO 0.39 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.67 2br8 h PHE 150 N 0.00 0.00 0.00 5.60 0.04 -1.93 -3.34 116.94 117.31 2br8 h PHE 150 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 2br8 h PHE 150 Cb 0.01 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 2br8 h PHE 150 CO 0.00 0.00 -1.55 0.39 -0.60 0.00 0.00 178.31 176.55 2br8 n GLU 151 N -2.33 0.22 -4.03 1.51 1.02 -0.63 -4.43 120.64 111.97 2br8 n GLU 151 Ca 0.04 0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.94 2br8 n GLU 151 Cb 0.37 -0.99 -0.15 0.00 -0.02 0.00 0.00 31.44 30.64 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 -2.18 2.04 0.25 -3.67 1.01 -0.38 -1.39 121.20 116.86 2br8 s ILE 152 Ca -0.13 -1.70 -0.30 0.00 0.00 0.00 0.00 60.65 58.52 2br8 s ILE 152 Cb 0.05 -2.26 -0.09 0.00 0.01 0.00 0.00 42.46 40.17 2br8 s ILE 152 CO 0.19 -0.18 1.17 -0.62 0.00 0.00 0.00 174.94 175.50 2br8 s ASP 153 N 1.13 7.13 -0.12 3.58 2.15 0.10 -4.15 116.67 126.49 2br8 s ASP 153 Ca -0.04 2.31 0.02 0.00 0.43 0.00 0.00 52.55 55.27 2br8 s ASP 153 Cb -0.20 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 39.82 2br8 s ASP 153 CO -0.06 -0.29 -0.18 -0.22 -0.17 0.00 0.00 175.17 174.25 2br8 s LEU 154 N -0.98 1.88 0.25 -1.34 2.96 -1.26 -0.81 118.68 119.37 2br8 s LEU 154 Ca 0.49 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2br8 s LEU 154 Cb -0.33 -1.22 -0.05 0.00 0.50 0.00 0.00 46.19 45.08 2br8 s LEU 154 CO 0.41 0.05 0.09 -0.75 -1.32 0.00 0.00 176.35 174.83 2br8 s LYS 155 N 0.85 1.37 0.09 1.98 2.20 -0.43 -4.94 119.74 120.85 2br8 s LYS 155 Ca -0.08 -1.73 0.02 0.00 -0.36 0.00 0.00 55.97 53.82 2br8 s LYS 155 Cb -0.15 -0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 35.90 2br8 s LYS 155 CO -0.00 -0.29 -0.07 0.95 -0.36 0.00 0.00 175.35 175.58 2br8 s THR 156 N -3.78 0.68 -0.01 3.43 -4.23 -1.26 0.27 115.64 110.75 2br8 s THR 156 Ca 0.37 -1.76 0.09 0.00 -1.18 0.00 0.00 61.69 59.22 2br8 s THR 156 Cb 0.08 -1.46 -0.23 0.00 1.34 0.00 0.00 72.50 72.23 2br8 s THR 156 CO 0.13 -0.76 0.80 0.44 -0.54 0.00 0.00 174.62 174.69 2br8 h ASP 157 N 3.29 0.04 -5.15 3.99 3.32 -1.97 -3.48 116.42 116.47 2br8 h ASP 157 Ca -0.35 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.49 2br8 h ASP 157 Cb 1.17 -0.01 -0.17 0.00 0.22 0.00 0.00 39.33 40.54 2br8 h ASP 157 CO 0.59 1.07 -0.62 0.28 -1.72 0.00 0.00 179.24 178.84 2br8 s THR 158 N -2.62 0.17 -0.92 0.35 -1.32 -1.26 -5.04 115.64 104.99 2br8 s THR 158 Ca -0.04 -1.42 0.25 0.00 -1.21 0.00 0.00 61.69 59.26 2br8 s THR 158 Cb 0.08 -1.12 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2br8 s THR 158 CO 0.82 -0.79 1.38 0.47 -2.21 0.00 0.00 174.62 174.30 2br8 n ASP 159 N 0.53 0.54 -4.76 8.08 9.92 -1.26 -4.78 116.55 124.81 2br8 n ASP 159 Ca -0.17 -0.19 -0.38 0.00 -0.53 0.00 0.00 54.79 53.52 2br8 n ASP 159 Cb 0.59 0.27 -0.06 0.00 -0.64 0.00 0.00 41.12 41.28 2br8 n ASP 159 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2br8 s GLN 160 N -3.04 4.24 0.30 -1.24 -1.52 -1.26 0.19 119.66 117.33 2br8 s GLN 160 Ca 0.10 0.51 -0.28 0.00 -1.95 0.00 0.00 55.36 53.74 2br8 s GLN 160 Cb 0.17 -3.36 -0.09 0.00 -0.22 0.00 0.00 33.01 29.50 2br8 s GLN 160 CO 0.71 0.33 0.99 0.08 -0.25 0.00 0.00 175.29 177.15 2br8 s VAL 161 N 0.04 3.93 -0.36 1.09 1.01 -0.94 -4.80 120.40 120.38 2br8 s VAL 161 Ca 0.27 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 63.74 2br8 s VAL 161 Cb -0.16 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 2br8 s VAL 161 CO 0.13 0.30 1.61 -0.62 0.00 0.00 0.00 175.10 176.51 2br8 s ASP 162 N -1.29 6.13 0.00 3.32 -1.08 -0.68 -4.84 116.67 118.23 2br8 s ASP 162 Ca 0.47 1.12 0.13 0.00 -0.52 0.00 0.00 52.55 53.76 2br8 s ASP 162 Cb -0.25 -2.53 0.38 0.00 -1.46 0.00 0.00 42.92 39.06 2br8 s ASP 162 CO 0.31 -1.55 1.31 0.18 0.52 0.00 0.00 175.17 175.94 2br8 n LEU 163 N 9.47 3.14 0.15 -1.34 4.77 -1.26 -2.21 117.00 129.72 2br8 n LEU 163 Ca 0.20 -1.97 0.13 0.00 -0.03 0.00 0.00 56.01 54.34 2br8 n LEU 163 Cb 0.47 -0.28 0.47 0.00 -2.33 0.00 0.00 43.42 41.75 2br8 n LEU 163 CO 0.69 0.78 0.88 0.77 -1.33 0.00 0.00 177.39 179.18 2br8 h SER 164 N 2.57 0.00 0.00 -1.43 4.64 -1.88 -2.65 113.55 114.80 2br8 h SER 164 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2br8 h SER 164 Cb 0.79 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2br8 h SER 164 CO 0.00 0.00 -0.08 -1.54 -0.87 0.00 0.00 176.83 174.34 2br8 n SER 165 N -2.43 2.22 -4.73 4.97 3.41 -1.26 -5.03 113.62 110.78 2br8 n SER 165 Ca 0.03 -3.19 -0.42 0.00 -0.26 0.00 0.00 58.87 55.03 2br8 n SER 165 Cb 0.32 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 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 -2.89 2.93 -0.09 7.33 5.04 -1.00 -4.68 117.35 123.99 2br8 s TYR 166 Ca 0.32 0.64 -0.35 0.00 -2.44 0.00 0.00 57.07 55.24 2br8 s TYR 166 Cb 0.29 -4.01 -0.12 0.00 0.35 0.00 0.00 41.96 38.46 2br8 s TYR 166 CO 0.01 -3.63 1.85 0.98 -1.34 0.00 0.00 175.55 173.42 2br8 n TYR 167 N 3.29 2.30 0.33 4.97 9.36 0.11 -4.84 117.16 132.68 2br8 n TYR 167 Ca 0.12 0.06 0.15 0.00 3.32 0.00 0.00 57.90 61.55 2br8 n TYR 167 Cb 0.37 -2.64 0.52 0.00 -0.63 0.00 0.00 39.34 36.97 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 8.83 1.00 -0.24 2.98 0.00 -1.90 -2.95 119.26 126.98 2br8 h ALA 168 Ca -0.48 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2br8 h ALA 168 Cb 1.28 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2br8 h ALA 168 CO 0.95 0.00 -0.05 0.43 0.00 0.00 0.00 179.25 180.58 2br8 n SER 169 N -2.80 3.04 -4.70 0.00 7.64 -1.26 -5.04 113.62 110.50 2br8 n SER 169 Ca 0.02 -3.34 -0.33 0.00 1.01 0.00 0.00 58.87 56.22 2br8 n SER 169 Cb 0.34 -0.56 0.12 0.00 -1.01 0.00 0.00 64.21 63.10 2br8 n SER 169 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2br8 s SER 170 N -2.35 3.66 0.29 6.43 0.15 -1.12 -4.93 113.70 115.83 2br8 s SER 170 Ca 0.41 2.34 -0.01 0.00 0.70 0.00 0.00 55.95 59.40 2br8 s SER 170 Cb 0.36 -2.59 0.44 0.00 -1.71 0.00 0.00 66.02 62.52 2br8 s SER 170 CO 0.04 -2.62 1.89 0.11 1.20 0.00 0.00 173.24 173.86 2br8 h LYS 171 N -0.87 0.90 -5.21 5.44 1.79 -1.92 -3.43 116.57 113.26 2br8 h LYS 171 Ca -0.46 -0.13 -0.65 0.00 -2.18 0.00 0.00 60.65 57.23 2br8 h LYS 171 Cb 1.29 -0.16 -0.26 0.00 -1.58 0.00 0.00 32.23 31.52 2br8 h LYS 171 CO 0.46 0.72 -0.73 0.71 -1.08 0.00 0.00 179.45 179.53 2br8 s TYR 172 N -5.47 2.91 0.12 -1.35 2.02 -1.26 -1.12 117.35 113.19 2br8 s TYR 172 Ca -0.10 -0.67 -0.25 0.00 -0.37 0.00 0.00 57.07 55.68 2br8 s TYR 172 Cb 0.16 -1.95 -0.07 0.00 -0.40 0.00 0.00 41.96 39.70 2br8 s TYR 172 CO 0.79 -0.29 0.76 -2.00 -1.57 0.00 0.00 175.55 173.25 2br8 s GLU 173 N 0.72 4.52 -0.18 -0.62 2.12 0.04 -4.84 118.70 120.46 2br8 s GLU 173 Ca -0.04 1.10 -0.22 0.00 0.36 0.00 0.00 54.97 56.18 2br8 s GLU 173 Cb -0.15 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 2br8 s GLU 173 CO 0.02 0.48 0.68 0.42 -0.54 0.00 0.00 175.26 176.32 2br8 s ILE 174 N -0.77 4.99 -0.08 -3.70 -1.09 -1.26 -2.03 121.20 117.27 2br8 s ILE 174 Ca 0.36 1.31 0.06 0.00 -2.23 0.00 0.00 60.65 60.15 2br8 s ILE 174 Cb -0.22 -4.00 -0.24 0.00 -1.58 0.00 0.00 42.46 36.42 2br8 s ILE 174 CO 0.25 0.10 0.53 0.18 -1.23 0.00 0.00 174.94 174.77 2br8 n LEU 175 N 4.97 1.48 -3.60 2.97 4.77 0.34 -4.99 117.00 122.94 2br8 n LEU 175 Ca -0.00 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 2br8 n LEU 175 Cb 0.50 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 2br8 n LEU 175 CO 0.45 0.56 0.75 -0.94 -1.33 0.00 0.00 177.39 176.88 2br8 s SER 176 N -6.40 -0.41 -0.13 -1.43 1.04 -0.93 -4.96 113.70 100.48 2br8 s SER 176 Ca -0.11 0.59 -0.03 0.00 0.48 0.00 0.00 55.95 56.87 2br8 s SER 176 Cb 0.07 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.77 2br8 s SER 176 CO 0.80 -0.28 0.06 0.00 0.98 0.00 0.00 173.24 174.80 2br8 s ALA 177 N -0.62 0.51 0.12 5.32 0.00 -1.26 -0.79 121.76 125.03 2br8 s ALA 177 Ca -0.00 -0.23 0.10 0.00 0.00 0.00 0.00 51.96 51.83 2br8 s ALA 177 Cb -0.02 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2br8 s ALA 177 CO -0.01 -0.93 -0.25 -0.08 0.00 0.00 0.00 175.76 174.49 2br8 s THR 178 N 2.08 2.35 -0.39 0.00 -1.32 -0.48 -2.21 115.64 115.66 2br8 s THR 178 Ca 0.03 -1.66 0.01 0.00 -1.21 0.00 0.00 61.69 58.85 2br8 s THR 178 Cb -0.15 -2.03 0.12 0.00 -1.51 0.00 0.00 72.50 68.94 2br8 s THR 178 CO -0.07 0.13 0.19 0.00 -2.21 0.00 0.00 174.62 172.66 2br8 s GLN 179 N -1.96 1.05 -0.16 7.08 -2.07 0.13 -1.60 119.66 122.13 2br8 s GLN 179 Ca 0.14 -1.66 0.01 0.00 -1.82 0.00 0.00 55.36 52.04 2br8 s GLN 179 Cb -0.10 -2.16 0.01 0.00 -1.09 0.00 0.00 33.01 29.66 2br8 s GLN 179 CO 0.06 -1.11 -0.18 -0.08 -1.32 0.00 0.00 175.29 172.66 2br8 s THR 180 N 0.82 2.34 0.18 3.63 -1.32 -0.68 -4.41 115.64 116.20 2br8 s THR 180 Ca 0.15 -0.88 -0.31 0.00 -1.21 0.00 0.00 61.69 59.45 2br8 s THR 180 Cb -0.22 -1.97 -0.10 0.00 -1.51 0.00 0.00 72.50 68.70 2br8 s THR 180 CO -0.07 0.53 1.47 -0.60 -2.21 0.00 0.00 174.62 173.74 2br8 s ARG 181 N 0.94 4.26 -0.08 7.08 3.52 -1.26 -1.10 118.95 132.31 2br8 s ARG 181 Ca -0.04 2.26 0.02 0.00 -0.13 0.00 0.00 55.73 57.85 2br8 s ARG 181 Cb -0.15 -3.16 0.01 0.00 -1.56 0.00 0.00 34.95 30.09 2br8 s ARG 181 CO -0.03 -0.49 -0.13 -0.65 -0.81 0.00 0.00 175.30 173.19 2br8 s GLN 182 N 0.55 1.80 -0.07 5.12 -0.21 0.23 -4.95 119.66 122.13 2br8 s GLN 182 Ca 0.64 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 55.60 2br8 s GLN 182 Cb -0.41 -1.53 -0.03 0.00 1.00 0.00 0.00 33.01 32.04 2br8 s GLN 182 CO 0.35 -0.02 -0.08 0.08 -2.12 0.00 0.00 175.29 173.51 2br8 s VAL 183 N 0.82 3.62 0.13 1.09 1.01 -1.26 -0.58 120.40 125.24 2br8 s VAL 183 Ca -0.11 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2br8 s VAL 183 Cb -0.15 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.77 2br8 s VAL 183 CO 0.02 0.59 0.39 0.00 0.00 0.00 0.00 175.10 176.10 2br8 s GLN 184 N -0.70 1.10 0.11 2.72 -2.07 -0.06 -4.96 119.66 115.79 2br8 s GLN 184 Ca 0.11 -0.78 0.10 0.00 -1.82 0.00 0.00 55.36 52.97 2br8 s GLN 184 Cb -0.11 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.23 2br8 s GLN 184 CO 0.02 -0.43 -0.24 -1.01 -1.32 0.00 0.00 175.29 172.31 2br8 s HIS 185 N -3.83 2.06 0.15 9.60 3.76 -1.26 -0.60 115.29 125.18 2br8 s HIS 185 Ca 0.05 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.59 2br8 s HIS 185 Cb 0.02 -1.13 -0.04 0.00 1.11 0.00 0.00 32.58 32.54 2br8 s HIS 185 CO -0.10 0.26 0.23 0.71 -0.85 0.00 0.00 174.74 174.99 2br8 s TYR 186 N -1.07 3.37 0.40 1.40 2.02 -1.26 -5.01 117.35 117.19 2br8 s TYR 186 Ca 0.10 0.07 0.17 0.00 -0.37 0.00 0.00 57.07 57.04 2br8 s TYR 186 Cb -0.10 -1.61 0.99 0.00 -0.40 0.00 0.00 41.96 40.84 2br8 s TYR 186 CO 0.05 0.52 1.94 0.66 -1.57 0.00 0.00 175.55 177.15 2br8 h SER 187 N 2.26 0.00 0.45 2.29 4.64 -2.01 -2.78 113.55 118.40 2br8 h SER 187 Ca -0.48 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.73 2br8 h SER 187 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2br8 h SER 187 CO 0.67 0.24 -0.51 0.00 -0.87 0.00 0.00 176.83 176.36 2br8 h PRO 190 N 6.24 0.00 -6.54 0.00 0.11 -1.91 -3.37 132.00 126.53 2br8 h PRO 190 Ca -0.32 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.27 2br8 h PRO 190 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2br8 h PRO 190 CO 0.49 0.17 0.14 -1.83 -0.21 0.00 0.00 178.00 176.76 2br8 s GLU 191 N -3.14 4.38 0.49 1.05 1.03 -1.26 -5.05 118.70 116.20 2br8 s GLU 191 Ca 0.06 0.99 -0.20 0.00 0.03 0.00 0.00 54.97 55.85 2br8 s GLU 191 Cb 0.06 -3.04 -0.08 0.00 -0.80 0.00 0.00 34.13 30.26 2br8 s GLU 191 CO 0.69 0.47 1.04 -1.25 -1.33 0.00 0.00 175.26 174.89 2br8 s PRO 192 N -1.61 3.78 -0.13 -4.83 0.04 -1.26 -4.68 135.00 126.31 2br8 s PRO 192 Ca 0.40 1.37 0.03 0.00 0.04 0.00 0.00 61.00 62.83 2br8 s PRO 192 Cb -0.19 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.26 2br8 s PRO 192 CO 0.23 -0.45 -0.22 0.71 0.04 0.00 0.00 177.00 177.31 2br8 s TYR 193 N -1.98 2.64 -0.08 0.56 1.51 0.23 -0.24 117.35 119.99 2br8 s TYR 193 Ca 0.67 -1.21 0.03 0.00 -1.01 0.00 0.00 57.07 55.56 2br8 s TYR 193 Cb -0.17 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 2br8 s TYR 193 CO 0.20 -0.53 -0.19 0.42 -1.11 0.00 0.00 175.55 174.34 2br8 s ILE 194 N 0.63 2.56 0.23 2.71 1.01 -1.26 -0.89 121.20 126.21 2br8 s ILE 194 Ca -0.11 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2br8 s ILE 194 Cb -0.16 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2br8 s ILE 194 CO 0.02 0.56 0.15 1.51 0.00 0.00 0.00 174.94 177.18 2br8 s ASP 195 N -0.07 0.58 -0.14 3.58 -4.77 0.25 -4.60 116.67 111.50 2br8 s ASP 195 Ca -0.05 -1.46 0.02 0.00 -3.30 0.00 0.00 52.55 47.76 2br8 s ASP 195 Cb -0.14 0.39 0.01 0.00 -1.09 0.00 0.00 42.92 42.09 2br8 s ASP 195 CO 0.04 -0.87 -0.20 -0.69 0.70 0.00 0.00 175.17 174.16 2br8 s VAL 196 N -3.98 1.91 -0.30 2.11 1.01 0.03 0.77 120.40 121.94 2br8 s VAL 196 Ca 0.39 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 2br8 s VAL 196 Cb 0.06 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2br8 s VAL 196 CO 0.15 0.52 0.26 0.21 0.00 0.00 0.00 175.10 176.24 2br8 s ASN 197 N 0.98 6.09 -0.48 3.32 2.47 -0.26 -0.37 114.94 126.70 2br8 s ASN 197 Ca -0.04 -0.11 -0.17 0.00 0.42 0.00 0.00 52.86 52.96 2br8 s ASN 197 Cb -0.15 -2.15 0.06 0.00 -1.45 0.00 0.00 41.25 37.56 2br8 s ASN 197 CO -0.04 -0.17 0.51 -0.22 -3.72 0.00 0.00 177.10 173.46 2br8 s LEU 198 N 1.84 5.22 -0.29 3.21 2.96 0.85 -1.69 118.68 130.77 2br8 s LEU 198 Ca 0.09 -1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 52.92 2br8 s LEU 198 Cb -0.16 -2.33 0.03 0.00 0.50 0.00 0.00 46.19 44.23 2br8 s LEU 198 CO 0.11 -0.75 0.02 -0.69 -1.32 0.00 0.00 176.35 173.72 2br8 s VAL 199 N 2.16 3.28 -0.15 1.68 1.01 -0.63 -1.49 120.40 126.27 2br8 s VAL 199 Ca 0.10 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2br8 s VAL 199 Cb -0.21 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 2br8 s VAL 199 CO 0.10 -0.01 -0.15 0.68 0.00 0.00 0.00 175.10 175.72 2br8 s VAL 200 N 1.34 2.77 -0.20 2.92 -7.23 0.29 -1.38 120.40 118.92 2br8 s VAL 200 Ca -0.02 -0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 59.31 2br8 s VAL 200 Cb -0.18 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2br8 s VAL 200 CO -0.01 0.52 0.12 -0.75 -0.31 0.00 0.00 175.10 174.67 2br8 s LYS 201 N 0.67 4.15 0.18 4.82 2.20 0.03 -0.41 119.74 131.37 2br8 s LYS 201 Ca -0.07 -0.24 -0.14 0.00 -0.36 0.00 0.00 55.97 55.15 2br8 s LYS 201 Cb -0.16 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.79 2br8 s LYS 201 CO 0.02 0.28 0.43 -0.59 -0.36 0.00 0.00 175.35 175.14 2br8 s PHE 202 N 0.39 0.06 0.10 4.03 -0.12 -0.40 -0.51 117.98 121.54 2br8 s PHE 202 Ca 0.07 -0.41 -0.11 0.00 -0.05 0.00 0.00 56.93 56.43 2br8 s PHE 202 Cb -0.11 0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.51 2br8 s PHE 202 CO -0.01 -0.84 0.25 -0.98 -0.05 0.00 0.00 175.22 173.59 2br8 s ARG 203 N -3.90 0.93 0.40 1.99 1.70 -0.86 -1.04 118.95 118.16 2br8 s ARG 203 Ca 0.12 -0.90 -0.27 0.00 -0.47 0.00 0.00 55.73 54.21 2br8 s ARG 203 Cb 0.01 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.67 2br8 s ARG 203 CO -0.02 -0.32 1.37 -1.21 -1.08 0.00 0.00 175.30 174.04 2br8 s GLU 204 N -3.85 3.98 0.00 3.89 2.02 -0.44 -0.78 118.70 123.52 2br8 s GLU 204 Ca 0.05 2.32 0.00 0.00 0.02 0.00 0.00 54.97 57.36 2br8 s GLU 204 Cb 0.04 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.45 2br8 s GLU 204 CO -0.11 -0.54 0.48 -2.13 0.02 0.00 0.00 175.26 172.99