#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br6 s ASP 0 N 0.00 6.57 0.65 6.12 1.01 -1.26 -4.99 116.67 124.77 2br6 s ASP 0 Ca 0.00 2.81 -0.18 0.00 0.71 0.00 0.00 52.55 55.89 2br6 s ASP 0 Cb 0.00 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 2br6 s ASP 0 CO 0.00 -0.72 1.27 -0.04 0.21 0.00 0.00 175.17 175.89 2br6 s MET 1 N -1.25 2.57 0.38 8.23 -1.94 -1.26 -4.88 119.30 121.15 2br6 s MET 1 Ca 0.55 1.99 0.02 0.00 -1.71 0.00 0.00 55.69 56.53 2br6 s MET 1 Cb -0.43 -1.86 -0.02 0.00 2.01 0.00 0.00 34.83 34.53 2br6 s MET 1 CO 0.52 -1.57 0.58 0.95 -0.01 0.00 0.00 175.02 175.49 2br6 s THR 2 N -1.50 4.50 0.16 2.05 -4.23 -1.26 -2.82 115.64 112.54 2br6 s THR 2 Ca 0.81 -0.58 -0.32 0.00 -1.18 0.00 0.00 61.69 60.42 2br6 s THR 2 Cb -0.35 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 69.75 2br6 s THR 2 CO 0.39 -0.39 1.55 -0.69 -0.54 0.00 0.00 174.62 174.94 2br6 s VAL 3 N -2.38 2.68 0.08 2.29 1.01 0.43 -4.73 120.40 119.77 2br6 s VAL 3 Ca 0.44 0.49 -0.18 0.00 0.00 0.00 0.00 61.98 62.73 2br6 s VAL 3 Cb -0.10 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 32.87 2br6 s VAL 3 CO 0.36 0.04 1.45 0.11 0.00 0.00 0.00 175.10 177.06 2br6 h LYS 4 N 6.79 0.48 -3.33 2.72 1.57 -1.22 0.13 116.57 123.71 2br6 h LYS 4 Ca -0.43 -0.20 -0.24 0.00 -1.87 0.00 0.00 60.65 57.91 2br6 h LYS 4 Cb 1.20 -0.02 -0.31 0.00 0.08 0.00 0.00 32.23 33.18 2br6 h LYS 4 CO 0.91 0.73 -0.62 0.15 -0.57 0.00 0.00 179.45 180.05 2br6 s LYS 5 N -4.66 0.08 -0.27 3.15 1.02 -1.18 -4.46 119.74 113.42 2br6 s LYS 5 Ca -0.14 0.31 -0.03 0.00 0.02 0.00 0.00 55.97 56.13 2br6 s LYS 5 Cb 0.07 -0.15 0.03 0.00 -0.52 0.00 0.00 37.83 37.26 2br6 s LYS 5 CO 0.77 -0.14 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.87 2br6 s LEU 6 N 0.98 3.50 -0.19 3.17 2.96 -0.56 -1.01 118.68 127.54 2br6 s LEU 6 Ca -0.08 -0.90 -0.08 0.00 -0.22 0.00 0.00 54.13 52.86 2br6 s LEU 6 Cb -0.10 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2br6 s LEU 6 CO -0.05 -0.17 0.07 -0.31 -1.32 0.00 0.00 176.35 174.58 2br6 s TYR 7 N 1.36 3.27 -0.18 5.38 2.02 0.27 -0.91 117.35 128.56 2br6 s TYR 7 Ca -0.00 0.11 -0.18 0.00 -0.37 0.00 0.00 57.07 56.63 2br6 s TYR 7 Cb -0.17 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 2br6 s TYR 7 CO -0.02 0.17 0.48 -0.06 -1.57 0.00 0.00 175.55 174.55 2br6 s PHE 8 N 0.38 3.41 -0.25 2.71 0.40 -1.26 -0.98 117.98 122.39 2br6 s PHE 8 Ca 0.04 0.76 0.02 0.00 -0.60 0.00 0.00 56.93 57.15 2br6 s PHE 8 Cb -0.12 -2.60 0.06 0.00 0.51 0.00 0.00 43.02 40.87 2br6 s PHE 8 CO -0.00 -0.01 -0.09 0.42 0.70 0.00 0.00 175.22 176.25 2br6 s ILE 9 N 1.28 1.87 0.21 0.64 1.01 -0.01 -0.57 121.20 125.63 2br6 s ILE 9 Ca 0.23 -1.42 -0.32 0.00 0.00 0.00 0.00 60.65 59.14 2br6 s ILE 9 Cb -0.15 -2.04 -0.12 0.00 0.01 0.00 0.00 42.46 40.15 2br6 s ILE 9 CO 0.09 -0.05 1.66 -2.65 0.00 0.00 0.00 174.94 173.99 2br6 n PRO 10 N 4.55 2.59 -2.46 2.79 -0.02 -1.26 -1.42 135.00 139.76 2br6 n PRO 10 Ca -0.13 0.93 -0.11 0.00 -2.02 0.00 0.00 63.50 62.16 2br6 n PRO 10 Cb 0.43 -2.74 0.04 0.00 -0.02 0.00 0.00 33.50 31.21 2br6 n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2br6 n ALA 11 N 3.49 3.74 0.00 3.55 0.00 0.16 -4.88 120.51 126.58 2br6 n ALA 11 Ca 0.15 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.34 2br6 n ALA 11 Cb 0.33 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2br6 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2br6 n GLY 12 N -0.64 -1.82 3.20 0.00 0.00 -1.26 -4.58 105.19 100.09 2br6 n GLY 12 Ca 0.24 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 2br6 n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2br6 s ARG 13 N 0.00 1.07 -0.06 1.61 0.52 -0.28 -0.94 118.95 120.87 2br6 s ARG 13 Ca 0.00 -1.53 -0.03 0.00 -0.52 0.00 0.00 55.73 53.65 2br6 s ARG 13 Cb 0.00 0.09 0.04 0.00 0.52 0.00 0.00 34.95 35.60 2br6 s ARG 13 CO 0.00 -0.26 0.13 0.00 0.02 0.00 0.00 175.30 175.19 2br6 s MET 15 N 1.24 4.16 0.05 0.00 -1.94 0.08 -0.54 119.30 122.36 2br6 s MET 15 Ca -0.08 0.48 -0.02 0.00 -1.71 0.00 0.00 55.69 54.35 2br6 s MET 15 Cb -0.12 -3.33 -0.03 0.00 2.01 0.00 0.00 34.83 33.37 2br6 s MET 15 CO -0.06 0.43 0.01 -0.51 -0.01 0.00 0.00 175.02 174.88 2br6 s LEU 16 N -0.28 2.25 0.41 -0.03 1.43 -0.11 -1.23 118.68 121.13 2br6 s LEU 16 Ca 0.25 -0.84 -0.26 0.00 -1.03 0.00 0.00 54.13 52.25 2br6 s LEU 16 Cb -0.16 0.33 -0.09 0.00 0.03 0.00 0.00 46.19 46.30 2br6 s LEU 16 CO 0.13 -0.57 1.32 -0.62 0.23 0.00 0.00 176.35 176.84 2br6 s ASP 17 N -2.65 6.28 0.34 2.29 2.15 -1.26 0.03 116.67 123.85 2br6 s ASP 17 Ca 0.03 2.69 0.24 0.00 0.43 0.00 0.00 52.55 55.94 2br6 s ASP 17 Cb 0.04 -2.64 1.22 0.00 -0.30 0.00 0.00 42.92 41.24 2br6 s ASP 17 CO -0.08 -0.88 1.73 1.12 -0.17 0.00 0.00 175.17 176.89 2br6 h HIS 18 N 2.67 0.00 0.00 -5.34 2.07 -0.78 -0.70 115.15 113.07 2br6 h HIS 18 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 2br6 h HIS 18 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 2br6 h HIS 18 CO 0.53 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 174.26 2br6 n SER 19 N -2.33 0.45 0.08 3.10 3.41 -1.26 -2.46 113.62 114.60 2br6 n SER 19 Ca -0.01 0.63 0.03 0.00 -0.26 0.00 0.00 58.87 59.26 2br6 n SER 19 Cb 0.09 -0.72 0.40 0.00 -0.26 0.00 0.00 64.21 63.73 2br6 n SER 19 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2br6 h SER 20 N 0.00 0.32 0.04 4.04 4.64 -1.49 -3.01 113.55 118.10 2br6 h SER 20 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2br6 h SER 20 Cb 0.27 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2br6 h SER 20 CO 0.00 0.37 -1.10 1.33 -0.87 0.00 0.00 176.83 176.56 2br6 n VAL 21 N -4.36 0.01 -3.22 0.95 0.24 -1.03 -1.54 118.33 109.38 2br6 n VAL 21 Ca 0.00 -0.07 -0.02 0.00 -2.04 0.00 0.00 64.34 62.22 2br6 n VAL 21 Cb 0.19 0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 33.33 2br6 n VAL 21 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2br6 s ASN 22 N -3.23 -0.73 0.30 -1.34 3.84 -1.16 -4.66 114.94 107.97 2br6 s ASN 22 Ca 0.06 0.04 0.18 0.00 0.21 0.00 0.00 52.86 53.36 2br6 s ASN 22 Cb 0.16 1.64 1.01 0.00 -0.55 0.00 0.00 41.25 43.51 2br6 s ASN 22 CO 0.86 -0.32 1.54 -1.20 -2.79 0.00 0.00 177.10 175.20 2br6 n SER 23 N 5.39 0.48 0.02 -4.21 7.64 0.24 -1.53 113.62 121.65 2br6 n SER 23 Ca 0.02 0.70 0.12 0.00 1.01 0.00 0.00 58.87 60.73 2br6 n SER 23 Cb 0.52 -0.74 0.31 0.00 -1.01 0.00 0.00 64.21 63.29 2br6 n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2br6 n ALA 24 N -1.71 3.06 -1.76 -0.43 0.00 -1.26 -4.92 120.51 113.48 2br6 n ALA 24 Ca -0.01 -0.25 -0.40 0.00 0.00 0.00 0.00 53.44 52.78 2br6 n ALA 24 Cb 0.10 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 2br6 n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2br6 s LEU 25 N -3.43 4.50 -0.05 0.00 1.43 -0.58 -4.99 118.68 115.55 2br6 s LEU 25 Ca 0.10 2.24 -0.30 0.00 -1.03 0.00 0.00 54.13 55.14 2br6 s LEU 25 Cb 0.16 -3.71 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 2br6 s LEU 25 CO 0.67 -0.19 1.59 -0.89 0.23 0.00 0.00 176.35 177.76 2br6 s THR 26 N -1.23 3.63 0.45 5.49 2.01 -1.26 -4.63 115.64 120.10 2br6 s THR 26 Ca 0.46 0.81 -0.25 0.00 0.31 0.00 0.00 61.69 63.03 2br6 s THR 26 Cb -0.31 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.60 2br6 s THR 26 CO 0.39 -0.06 1.31 -2.65 -0.69 0.00 0.00 174.62 172.92 2br6 n PRO 27 N 6.83 1.92 0.00 4.92 -0.02 -1.26 -4.46 135.00 142.94 2br6 n PRO 27 Ca 0.16 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2br6 n PRO 27 Cb 0.43 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2br6 n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2br6 n GLY 28 N 0.77 -0.07 2.99 -1.23 0.00 -1.26 -5.11 105.19 101.29 2br6 n GLY 28 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2br6 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2br6 s LYS 29 N 0.00 0.89 0.05 1.61 -0.14 -1.26 -5.06 119.74 115.83 2br6 s LYS 29 Ca 0.00 -0.28 -0.13 0.00 -1.36 0.00 0.00 55.97 54.20 2br6 s LYS 29 Cb 0.00 -0.84 -0.06 0.00 -1.68 0.00 0.00 37.83 35.25 2br6 s LYS 29 CO 0.00 0.10 0.43 -0.51 -0.76 0.00 0.00 175.35 174.62 2br6 s LEU 30 N 0.19 4.42 0.02 3.17 1.43 -1.26 -0.05 118.68 126.59 2br6 s LEU 30 Ca -0.03 0.94 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 2br6 s LEU 30 Cb -0.08 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2br6 s LEU 30 CO 0.00 0.24 -0.24 -0.76 0.23 0.00 0.00 176.35 175.82 2br6 s LEU 31 N -1.48 2.23 -0.43 1.79 1.43 0.10 -4.79 118.68 117.54 2br6 s LEU 31 Ca 0.29 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 2br6 s LEU 31 Cb -0.16 -1.35 0.11 0.00 0.03 0.00 0.00 46.19 44.83 2br6 s LEU 31 CO 0.16 0.28 0.25 0.21 0.23 0.00 0.00 176.35 177.48 2br6 s ASN 32 N -1.04 5.37 0.07 2.29 3.84 -1.26 -0.93 114.94 123.28 2br6 s ASN 32 Ca 0.12 -2.03 -0.11 0.00 0.21 0.00 0.00 52.86 51.04 2br6 s ASN 32 Cb -0.10 -1.88 -0.06 0.00 -0.55 0.00 0.00 41.25 38.66 2br6 s ASN 32 CO 0.01 -0.58 0.42 -0.76 -2.79 0.00 0.00 177.10 173.41 2br6 s LEU 33 N 1.16 4.37 0.31 3.21 1.43 0.30 -4.88 118.68 124.58 2br6 s LEU 33 Ca 0.08 0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 53.77 2br6 s LEU 33 Cb -0.24 -2.95 -0.09 0.00 0.03 0.00 0.00 46.19 42.94 2br6 s LEU 33 CO -0.03 0.19 1.06 -2.16 0.23 0.00 0.00 176.35 175.64 2br6 s PRO 34 N -1.76 4.51 -0.12 1.29 0.04 -1.26 -1.00 135.00 136.70 2br6 s PRO 34 Ca 0.32 1.66 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 2br6 s PRO 34 Cb -0.15 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 2br6 s PRO 34 CO 0.17 0.14 0.02 0.08 0.04 0.00 0.00 177.00 177.45 2br6 s VAL 35 N -1.34 4.45 0.06 -0.36 1.01 -0.11 -4.63 120.40 119.48 2br6 s VAL 35 Ca 0.48 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.36 2br6 s VAL 35 Cb -0.28 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2br6 s VAL 35 CO 0.35 0.56 -0.20 0.26 0.00 0.00 0.00 175.10 176.07 2br6 s TRP 36 N -0.47 1.74 0.31 5.22 0.52 -1.26 -0.66 118.94 124.33 2br6 s TRP 36 Ca 0.09 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.86 2br6 s TRP 36 Cb -0.12 -1.01 -0.06 0.00 -1.15 0.00 0.00 33.47 31.13 2br6 s TRP 36 CO 0.02 0.12 0.05 0.00 0.02 0.00 0.00 176.95 177.16 2br6 s TYR 38 N -3.32 0.41 -0.12 0.00 2.02 -0.60 -0.83 117.35 114.92 2br6 s TYR 38 Ca 0.35 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.97 2br6 s TYR 38 Cb 0.08 -0.26 -0.00 0.00 -0.40 0.00 0.00 41.96 41.38 2br6 s TYR 38 CO 0.15 -0.02 -0.21 -1.17 -1.57 0.00 0.00 175.55 172.73 2br6 s LEU 39 N -0.24 2.23 -0.22 -1.29 2.96 -0.15 -0.32 118.68 121.65 2br6 s LEU 39 Ca 0.00 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 2br6 s LEU 39 Cb -0.02 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.22 2br6 s LEU 39 CO -0.00 0.14 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.31 2br6 s LEU 40 N 0.46 2.75 -0.31 -0.68 1.02 0.50 -0.57 118.68 121.86 2br6 s LEU 40 Ca -0.15 -0.65 -0.21 0.00 0.02 0.00 0.00 54.13 53.14 2br6 s LEU 40 Cb -0.17 -1.62 -0.01 0.00 0.02 0.00 0.00 46.19 44.41 2br6 s LEU 40 CO 0.06 -0.05 0.65 -1.61 0.02 0.00 0.00 176.35 175.42 2br6 s GLU 41 N 1.36 3.90 0.31 1.70 0.41 -0.18 -0.45 118.70 125.75 2br6 s GLU 41 Ca 0.03 0.33 0.06 0.00 -0.41 0.00 0.00 54.97 54.98 2br6 s GLU 41 Cb -0.15 -3.73 -0.06 0.00 -1.78 0.00 0.00 34.13 28.41 2br6 s GLU 41 CO -0.07 -0.59 -0.02 0.95 -0.49 0.00 0.00 175.26 175.04 2br6 s THR 42 N 2.66 1.60 0.24 3.63 -4.23 -1.04 -0.66 115.64 117.84 2br6 s THR 42 Ca 0.26 -2.08 -0.05 0.00 -1.18 0.00 0.00 61.69 58.64 2br6 s THR 42 Cb -0.15 -2.61 0.21 0.00 1.34 0.00 0.00 72.50 71.30 2br6 s THR 42 CO 0.12 -0.19 1.73 -0.08 -0.54 0.00 0.00 174.62 175.66 2br6 h GLU 43 N 2.17 0.41 0.00 3.99 4.81 -1.93 -1.30 114.58 122.72 2br6 h GLU 43 Ca -0.41 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2br6 h GLU 43 Cb 1.24 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2br6 h GLU 43 CO 0.70 0.27 0.00 0.93 -0.73 0.00 0.00 179.01 180.17 2br6 h GLU 44 N 0.42 0.00 0.00 1.92 5.08 -1.98 -3.49 114.58 116.53 2br6 h GLU 44 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2br6 h GLU 44 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2br6 h GLU 44 CO -0.41 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.01 2br6 n GLY 45 N 1.17 1.21 3.76 -3.84 0.00 -0.49 -4.93 105.19 102.07 2br6 n GLY 45 Ca 0.05 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 2br6 n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2br6 s PRO 46 N -1.36 4.64 -0.07 1.61 0.04 -1.26 -2.49 135.00 136.12 2br6 s PRO 46 Ca 0.00 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.73 2br6 s PRO 46 Cb 0.00 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2br6 s PRO 46 CO 0.00 0.26 -0.17 0.42 0.04 0.00 0.00 177.00 177.55 2br6 s ILE 47 N -1.26 1.51 -0.19 0.56 1.01 0.40 0.30 121.20 123.55 2br6 s ILE 47 Ca 0.45 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 2br6 s ILE 47 Cb -0.28 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 2br6 s ILE 47 CO 0.36 0.44 0.02 -0.22 0.00 0.00 0.00 174.94 175.54 2br6 s LEU 48 N 0.36 3.52 -0.35 2.97 2.96 -0.85 -0.37 118.68 126.91 2br6 s LEU 48 Ca -0.12 -0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.61 2br6 s LEU 48 Cb -0.15 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.66 2br6 s LEU 48 CO 0.05 0.13 0.22 -0.69 -1.32 0.00 0.00 176.35 174.73 2br6 s VAL 49 N 0.61 4.88 0.32 1.68 1.01 0.56 -0.09 120.40 129.38 2br6 s VAL 49 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2br6 s VAL 49 Cb -0.14 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2br6 s VAL 49 CO 0.02 -0.10 0.00 0.47 0.00 0.00 0.00 175.10 175.49 2br6 n ASP 50 N 5.05 -4.13 -0.32 3.32 8.00 0.17 -1.56 116.55 127.09 2br6 n ASP 50 Ca -0.12 0.74 0.01 0.00 0.71 0.00 0.00 54.79 56.12 2br6 n ASP 50 Cb 0.48 -2.57 0.01 0.00 -0.02 0.00 0.00 41.12 39.02 2br6 n ASP 50 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2br6 n THR 51 N -3.25 0.17 -4.29 -3.53 -2.24 -0.44 -4.64 114.28 96.06 2br6 n THR 51 Ca -0.05 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2br6 n THR 51 Cb 0.36 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2br6 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2br6 n GLY 52 N -0.12 -1.13 3.93 3.38 0.00 -1.26 -2.68 105.19 107.32 2br6 n GLY 52 Ca 0.01 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 2br6 n GLY 52 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2br6 s MET 53 N 0.00 3.38 0.52 1.61 -1.94 -1.26 -1.01 119.30 120.60 2br6 s MET 53 Ca 0.00 -0.17 -0.21 0.00 -1.71 0.00 0.00 55.69 53.59 2br6 s MET 53 Cb 0.00 -2.52 -0.06 0.00 2.01 0.00 0.00 34.83 34.26 2br6 s MET 53 CO 0.00 -0.11 1.22 -2.14 -0.01 0.00 0.00 175.02 173.98 2br6 s PRO 54 N -4.55 3.37 0.64 2.03 0.02 -1.25 -4.07 135.00 131.18 2br6 s PRO 54 Ca 0.45 1.89 0.42 0.00 0.02 0.00 0.00 61.00 63.78 2br6 s PRO 54 Cb -0.10 -2.21 2.18 0.00 0.02 0.00 0.00 34.50 34.39 2br6 s PRO 54 CO 0.40 -0.91 2.29 1.05 -0.33 0.00 0.00 177.00 179.50 2br6 h GLU 55 N 1.53 0.00 0.00 5.54 4.11 -1.98 -0.39 114.58 123.39 2br6 h GLU 55 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2br6 h GLU 55 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2br6 h GLU 55 CO 0.58 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.53 2br6 n SER 56 N -3.11 0.60 0.05 3.06 3.41 -1.26 -2.11 113.62 114.25 2br6 n SER 56 Ca -0.02 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 2br6 n SER 56 Cb 0.12 -0.80 0.26 0.00 -0.26 0.00 0.00 64.21 63.54 2br6 n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2br6 n ALA 57 N -1.76 2.90 -1.74 7.33 0.00 -0.16 -4.71 120.51 122.38 2br6 n ALA 57 Ca 0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2br6 n ALA 57 Cb 0.17 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 2br6 n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2br6 s VAL 58 N -3.11 2.91 -1.49 0.00 1.01 -0.90 -2.38 120.40 116.44 2br6 s VAL 58 Ca 0.08 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 2br6 s VAL 58 Cb 0.15 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.51 2br6 s VAL 58 CO 0.68 -0.01 0.95 -3.20 0.00 0.00 0.00 175.10 173.52 2br6 n ASN 59 N 6.73 -4.27 0.00 3.32 4.05 -0.72 -5.03 115.26 119.34 2br6 n ASN 59 Ca 0.19 -0.78 0.00 0.00 0.45 0.00 0.00 54.58 54.44 2br6 n ASN 59 Cb 0.40 -3.96 0.00 0.00 1.23 0.00 0.00 39.78 37.46 2br6 n ASN 59 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2br6 n ASN 60 N -2.88 0.00 0.00 1.20 5.15 -1.00 -5.12 115.26 112.60 2br6 n ASN 60 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 2br6 n ASN 60 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 2br6 n ASN 60 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2br6 n ILE 73 N 0.00 0.00 -3.97 -1.44 5.41 -1.26 -4.54 119.36 113.56 2br6 n ILE 73 Ca 0.00 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.44 2br6 n ILE 73 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 2br6 n ILE 73 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2br6 s LEU 74 N 0.00 4.11 0.33 1.39 1.02 -0.36 -4.98 118.68 120.18 2br6 s LEU 74 Ca 0.00 -1.96 -0.29 0.00 0.02 0.00 0.00 54.13 51.90 2br6 s LEU 74 Cb 0.00 -1.46 -0.11 0.00 0.02 0.00 0.00 46.19 44.64 2br6 s LEU 74 CO 0.00 -0.37 1.48 -2.84 0.02 0.00 0.00 176.35 174.64 2br6 s PRO 75 N 1.07 4.18 -0.54 1.29 0.02 -1.26 -0.74 135.00 139.02 2br6 s PRO 75 Ca 0.09 2.47 0.02 0.00 0.02 0.00 0.00 61.00 63.60 2br6 s PRO 75 Cb -0.19 -3.02 0.14 0.00 0.02 0.00 0.00 34.50 31.45 2br6 s PRO 75 CO -0.11 -0.49 0.30 0.15 -0.33 0.00 0.00 177.00 176.52 2br6 s LYS 76 N -1.34 2.11 -0.03 5.54 -0.14 0.68 -4.72 119.74 121.84 2br6 s LYS 76 Ca 0.56 -2.57 0.02 0.00 -1.36 0.00 0.00 55.97 52.62 2br6 s LYS 76 Cb -0.45 -3.43 0.01 0.00 -1.68 0.00 0.00 37.83 32.28 2br6 s LYS 76 CO 0.54 -1.12 -0.07 1.41 -0.76 0.00 0.00 175.35 175.36 2br6 s MET 77 N -0.18 0.85 0.41 1.68 1.75 -1.26 -1.13 119.30 121.41 2br6 s MET 77 Ca 0.17 -0.21 0.07 0.00 -1.25 0.00 0.00 55.69 54.47 2br6 s MET 77 Cb -0.24 -0.81 -0.05 0.00 2.84 0.00 0.00 34.83 36.56 2br6 s MET 77 CO -0.01 0.03 0.16 0.95 -0.65 0.00 0.00 175.02 175.50 2br6 s THR 78 N 0.45 2.32 0.35 10.11 -4.23 -1.26 -1.76 115.64 121.62 2br6 s THR 78 Ca -0.06 -1.73 0.16 0.00 -1.18 0.00 0.00 61.69 58.88 2br6 s THR 78 Cb -0.10 -2.99 0.35 0.00 1.34 0.00 0.00 72.50 71.09 2br6 s THR 78 CO 0.00 -0.01 1.69 -0.33 -0.54 0.00 0.00 174.62 175.43 2br6 h GLU 79 N 1.47 0.35 -0.06 3.99 4.39 -1.99 0.68 114.58 123.40 2br6 h GLU 79 Ca -0.43 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.27 2br6 h GLU 79 Cb 1.25 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2br6 h GLU 79 CO 0.70 0.23 0.05 0.93 -1.16 0.00 0.00 179.01 179.76 2br6 h GLU 80 N 0.36 0.00 -0.00 2.33 4.39 -1.98 -2.48 114.58 117.20 2br6 h GLU 80 Ca 0.71 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.41 2br6 h GLU 80 Cb 1.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 2br6 h GLU 80 CO -0.52 0.00 -0.21 -0.25 -1.16 0.00 0.00 179.01 176.87 2br6 n ASP 81 N -4.36 0.32 -4.75 1.42 8.00 0.23 -4.00 116.55 113.41 2br6 n ASP 81 Ca -0.02 -0.07 -0.41 0.00 0.71 0.00 0.00 54.79 55.00 2br6 n ASP 81 Cb 0.15 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.12 2br6 n ASP 81 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2br6 s ARG 82 N -2.85 4.17 0.46 -1.24 0.52 -0.94 -4.68 118.95 114.40 2br6 s ARG 82 Ca 0.17 2.49 0.19 0.00 -0.52 0.00 0.00 55.73 58.06 2br6 s ARG 82 Cb 0.19 -3.05 1.18 0.00 0.52 0.00 0.00 34.95 33.79 2br6 s ARG 82 CO 0.57 -0.56 1.94 0.97 0.02 0.00 0.00 175.30 178.25 2br6 h ILE 83 N 3.42 0.76 0.00 1.52 6.09 -1.86 0.27 117.51 127.72 2br6 h ILE 83 Ca -0.47 -0.09 -0.10 0.00 -1.37 0.00 0.00 64.86 62.83 2br6 h ILE 83 Cb 1.22 0.48 -0.01 0.00 0.47 0.00 0.00 36.82 38.97 2br6 h ILE 83 CO 0.78 0.05 -0.48 -0.37 -3.07 0.00 0.00 178.15 175.06 2br6 h VAL 84 N 0.26 0.98 -0.07 2.19 -1.51 -1.93 0.63 116.25 116.81 2br6 h VAL 84 Ca 0.34 -1.91 -0.23 0.00 -1.23 0.00 0.00 66.70 63.66 2br6 h VAL 84 Cb 0.94 2.16 0.01 0.00 -2.13 0.00 0.00 31.29 32.27 2br6 h VAL 84 CO -0.08 0.47 -0.87 0.78 -1.23 0.00 0.00 177.57 176.64 2br6 h ASN 85 N 0.00 0.76 -0.42 4.19 2.35 -1.29 0.11 115.58 121.27 2br6 h ASN 85 Ca -0.00 -0.55 0.05 0.00 -0.55 0.00 0.00 56.30 55.25 2br6 h ASN 85 Cb 1.12 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 39.22 2br6 h ASN 85 CO 0.06 1.34 0.16 0.40 -1.65 0.00 0.00 177.43 177.74 2br6 h ILE 86 N 0.39 0.88 -0.52 2.81 2.04 -0.87 -0.96 117.51 121.29 2br6 h ILE 86 Ca -0.07 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.74 2br6 h ILE 86 Cb 1.50 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 2br6 h ILE 86 CO 0.17 0.06 0.21 -0.07 0.00 0.00 0.00 178.15 178.52 2br6 h LEU 87 N 0.33 0.26 -0.72 1.44 3.38 0.41 0.26 115.31 120.66 2br6 h LEU 87 Ca 0.19 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.25 2br6 h LEU 87 Cb 0.17 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 2br6 h LEU 87 CO -0.19 0.18 0.45 0.11 0.09 0.00 0.00 178.44 179.07 2br6 h LYS 88 N 0.42 0.84 -0.12 1.13 1.57 -0.56 -0.51 116.57 119.33 2br6 h LYS 88 Ca 0.24 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 2br6 h LYS 88 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2br6 h LYS 88 CO -0.22 0.56 -0.56 0.00 -0.57 0.00 0.00 179.45 178.65 2br6 h ARG 89 N 0.87 0.38 0.00 3.15 3.08 -0.25 -2.67 114.38 118.94 2br6 h ARG 89 Ca 0.29 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2br6 h ARG 89 Cb 0.03 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2br6 h ARG 89 CO -0.12 0.84 -0.01 1.33 -1.07 0.00 0.00 179.97 180.95 2br6 n VAL 90 N -3.93 0.48 -0.76 2.04 0.24 -0.01 -4.94 118.33 111.46 2br6 n VAL 90 Ca -0.03 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2br6 n VAL 90 Cb 0.60 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 2br6 n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2br6 n GLY 91 N 1.35 0.89 3.34 7.63 0.00 -0.30 -5.09 105.19 113.01 2br6 n GLY 91 Ca 0.06 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 2br6 n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2br6 s TYR 92 N -2.00 2.12 0.30 1.61 2.02 -0.63 -5.03 117.35 115.74 2br6 s TYR 92 Ca 0.00 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 2br6 s TYR 92 Cb 0.00 -1.19 -0.05 0.00 -0.40 0.00 0.00 41.96 40.32 2br6 s TYR 92 CO 0.00 0.23 0.56 -1.21 -1.57 0.00 0.00 175.55 173.56 2br6 s GLU 93 N -1.73 3.61 0.29 -0.62 2.02 -1.26 -4.08 118.70 116.93 2br6 s GLU 93 Ca 0.11 -0.03 0.02 0.00 0.02 0.00 0.00 54.97 55.09 2br6 s GLU 93 Cb -0.10 -2.64 0.70 0.00 0.10 0.00 0.00 34.13 32.19 2br6 s GLU 93 CO 0.04 0.19 1.65 -1.35 0.02 0.00 0.00 175.26 175.82 2br6 h PRO 94 N 1.52 0.22 0.00 0.39 0.11 -1.97 -0.35 132.00 131.92 2br6 h PRO 94 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2br6 h PRO 94 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2br6 h PRO 94 CO 0.65 0.15 0.00 -0.25 -0.21 0.00 0.00 178.00 178.34 2br6 n ASP 95 N -5.20 0.65 0.24 -2.05 8.00 -1.26 -2.25 116.55 114.67 2br6 n ASP 95 Ca 0.21 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.50 2br6 n ASP 95 Cb 0.67 -0.81 0.52 0.00 -0.02 0.00 0.00 41.12 41.49 2br6 n ASP 95 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2br6 h ASP 96 N 0.00 0.00 -3.26 -2.24 3.32 -1.45 -3.45 116.42 109.34 2br6 h ASP 96 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2br6 h ASP 96 Cb 0.31 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.87 2br6 h ASP 96 CO 0.00 0.17 0.57 -0.76 -1.72 0.00 0.00 179.24 177.50 2br6 s LEU 97 N -6.71 4.39 0.02 1.55 2.01 -0.95 -4.50 118.68 114.49 2br6 s LEU 97 Ca 0.00 2.08 -0.23 0.00 0.01 0.00 0.00 54.13 56.00 2br6 s LEU 97 Cb 0.10 -3.59 -0.17 0.00 0.01 0.00 0.00 46.19 42.55 2br6 s LEU 97 CO 0.61 -0.45 1.34 0.25 1.01 0.00 0.00 176.35 179.12 2br6 h LEU 98 N 6.38 0.19 -7.84 1.79 5.85 -0.46 -3.44 115.31 117.79 2br6 h LEU 98 Ca -0.42 -0.45 -0.14 0.00 0.84 0.00 0.00 57.88 57.70 2br6 h LEU 98 Cb 1.21 -0.05 -0.20 0.00 0.37 0.00 0.00 40.66 41.99 2br6 h LEU 98 CO 0.80 0.60 -0.54 -0.31 -0.34 0.00 0.00 178.44 178.65 2br6 s TYR 99 N -4.41 0.13 -0.13 1.25 2.02 -1.25 -4.35 117.35 110.62 2br6 s TYR 99 Ca -0.15 -0.32 -0.05 0.00 -0.37 0.00 0.00 57.07 56.18 2br6 s TYR 99 Cb 0.04 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.45 2br6 s TYR 99 CO 0.71 -0.29 0.07 0.42 -1.57 0.00 0.00 175.55 174.90 2br6 s ILE 100 N -1.73 4.90 -0.21 2.71 -1.09 -0.32 -2.02 121.20 123.44 2br6 s ILE 100 Ca -0.12 -0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.25 2br6 s ILE 100 Cb -0.06 -3.14 -0.01 0.00 -1.58 0.00 0.00 42.46 37.67 2br6 s ILE 100 CO -0.01 0.57 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.59 2br6 s ILE 101 N -0.56 3.31 -0.42 2.92 1.01 0.87 -0.16 121.20 128.16 2br6 s ILE 101 Ca 0.11 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 2br6 s ILE 101 Cb -0.12 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.88 2br6 s ILE 101 CO 0.02 0.43 0.38 -0.44 0.00 0.00 0.00 174.94 175.33 2br6 s SER 102 N 1.40 6.16 0.24 3.58 0.01 -0.27 -0.65 113.70 124.16 2br6 s SER 102 Ca 0.05 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 56.47 2br6 s SER 102 Cb -0.14 -2.20 0.42 0.00 0.21 0.00 0.00 66.02 64.31 2br6 s SER 102 CO -0.03 -0.53 1.78 0.77 0.41 0.00 0.00 173.24 175.64 2br6 h SER 103 N 8.69 0.54 -5.41 2.44 4.64 -1.85 -3.43 113.55 119.17 2br6 h SER 103 Ca -0.27 0.07 0.17 0.00 -0.47 0.00 0.00 61.79 61.30 2br6 h SER 103 Cb 1.11 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 2br6 h SER 103 CO 0.77 0.28 0.57 -1.38 -0.87 0.00 0.00 176.83 176.20 2br6 s HIS 104 N -6.02 0.01 -0.26 4.77 -3.43 -1.26 -0.70 115.29 108.40 2br6 s HIS 104 Ca -0.12 -0.37 0.13 0.00 -0.80 0.00 0.00 55.06 53.90 2br6 s HIS 104 Cb 0.20 0.68 0.61 0.00 -1.43 0.00 0.00 32.58 32.64 2br6 s HIS 104 CO 0.77 -0.87 1.58 1.28 -2.00 0.00 0.00 174.74 175.51 2br6 n LEU 105 N -0.62 4.78 -4.73 5.38 4.77 -1.26 -4.27 117.00 121.05 2br6 n LEU 105 Ca -0.04 -3.24 -0.35 0.00 -0.03 0.00 0.00 56.01 52.34 2br6 n LEU 105 Cb 0.60 -0.64 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 2br6 n LEU 105 CO 0.18 0.84 0.83 -1.00 -1.33 0.00 0.00 177.39 176.91 2br6 s HIS 106 N -2.97 2.16 0.54 -1.77 3.76 -1.26 -4.67 115.29 111.07 2br6 s HIS 106 Ca 0.48 1.55 0.20 0.00 -0.15 0.00 0.00 55.06 57.14 2br6 s HIS 106 Cb 0.39 -3.52 1.40 0.00 1.11 0.00 0.00 32.58 31.97 2br6 s HIS 106 CO 0.09 -2.56 2.15 0.27 -0.85 0.00 0.00 174.74 173.84 2br6 h PHE 107 N 0.20 0.00 -0.04 1.40 -5.15 -1.93 -0.00 116.94 111.42 2br6 h PHE 107 Ca -0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.28 2br6 h PHE 107 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 2br6 h PHE 107 CO 0.46 0.00 0.00 -0.40 -2.00 0.00 0.00 178.31 176.37 2br6 n ASP 108 N -4.36 0.89 0.00 -0.68 3.85 -1.26 -2.85 116.55 112.13 2br6 n ASP 108 Ca -0.01 -1.38 0.00 0.00 -0.71 0.00 0.00 54.79 52.68 2br6 n ASP 108 Cb 0.15 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 2br6 n ASP 108 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 2br6 n HIS 109 N -0.27 0.00 -0.72 2.11 8.25 -0.08 -4.14 115.22 120.37 2br6 n HIS 109 Ca 0.19 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.66 2br6 n HIS 109 Cb 0.24 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.36 2br6 n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2br6 n ALA 110 N -1.55 1.65 0.25 -1.41 0.00 -0.78 -1.32 120.51 117.35 2br6 n ALA 110 Ca 0.00 -0.99 0.12 0.00 0.00 0.00 0.00 53.44 52.57 2br6 n ALA 110 Cb 0.18 -0.10 0.65 0.00 0.00 0.00 0.00 19.45 20.19 2br6 n ALA 110 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2br6 h GLY 111 N 0.00 0.00 -1.15 0.00 0.00 -0.92 -1.42 103.07 99.58 2br6 h GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2br6 h GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2br6 n GLY 112 N -0.45 0.60 0.30 4.60 0.00 -1.09 -4.14 105.19 105.00 2br6 n GLY 112 Ca -0.01 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.59 2br6 n GLY 112 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2br6 h ASN 113 N 2.61 0.31 0.33 1.61 4.21 -1.47 -2.38 115.58 120.81 2br6 h ASN 113 Ca 0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2br6 h ASN 113 Cb 0.58 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 2br6 h ASN 113 CO 0.00 0.22 0.00 1.23 -1.29 0.00 0.00 177.43 177.59 2br6 h GLY 114 N 0.36 0.00 2.00 2.83 0.00 -1.81 -1.93 103.07 104.51 2br6 h GLY 114 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2br6 h GLY 114 CO -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.47 2br6 h ALA 115 N 2.03 1.06 -2.98 3.60 0.00 -1.79 -3.39 119.26 117.79 2br6 h ALA 115 Ca 0.00 -0.05 -0.71 0.00 0.00 0.00 0.00 54.91 54.15 2br6 h ALA 115 Cb 0.17 -0.01 -0.33 0.00 0.00 0.00 0.00 17.79 17.62 2br6 h ALA 115 CO 0.00 0.06 -0.40 -0.06 0.00 0.00 0.00 179.25 178.86 2br6 s PHE 116 N -3.89 3.50 -1.09 0.00 0.08 -0.73 -4.80 117.98 111.04 2br6 s PHE 116 Ca -0.01 -2.33 0.18 0.00 0.12 0.00 0.00 56.93 54.89 2br6 s PHE 116 Cb 0.11 -3.34 -0.13 0.00 -0.57 0.00 0.00 43.02 39.09 2br6 s PHE 116 CO 0.53 -0.94 0.80 0.25 -0.10 0.00 0.00 175.22 175.76 2br6 n THR 117 N 4.29 0.00 -0.04 0.64 -2.24 -1.26 -4.55 114.28 111.12 2br6 n THR 117 Ca 0.00 -0.16 -0.05 0.00 -2.27 0.00 0.00 64.05 61.57 2br6 n THR 117 Cb 0.40 1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 2br6 n THR 117 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2br6 n ASN 118 N -0.99 3.35 -4.73 3.42 3.02 -1.26 -4.39 115.26 113.68 2br6 n ASN 118 Ca 0.05 -0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 2br6 n ASN 118 Cb 0.31 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 2br6 n ASN 118 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2br6 s THR 119 N -2.17 2.46 0.22 3.41 2.01 -1.26 -4.82 115.64 115.49 2br6 s THR 119 Ca -0.10 0.35 -0.31 0.00 0.31 0.00 0.00 61.69 61.93 2br6 s THR 119 Cb 0.03 -3.22 -0.11 0.00 0.01 0.00 0.00 72.50 69.21 2br6 s THR 119 CO 0.20 0.04 1.60 -2.84 -0.69 0.00 0.00 174.62 172.93 2br6 s PRO 120 N 0.64 4.17 -0.37 4.92 0.02 -1.26 -4.46 135.00 138.67 2br6 s PRO 120 Ca 0.68 2.48 -0.11 0.00 0.02 0.00 0.00 61.00 64.07 2br6 s PRO 120 Cb -0.45 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.00 2br6 s PRO 120 CO 0.36 -0.63 0.20 0.42 -0.33 0.00 0.00 177.00 177.02 2br6 s ILE 121 N 0.72 4.57 -0.25 2.83 1.01 -0.38 -1.18 121.20 128.52 2br6 s ILE 121 Ca 0.68 -0.82 -0.28 0.00 0.00 0.00 0.00 60.65 60.24 2br6 s ILE 121 Cb -0.46 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.48 2br6 s ILE 121 CO 0.37 -0.20 0.98 -0.63 0.00 0.00 0.00 174.94 175.46 2br6 s ILE 122 N 1.56 4.69 -0.03 2.92 1.01 0.77 -0.02 121.20 132.10 2br6 s ILE 122 Ca 0.02 1.83 -0.07 0.00 0.00 0.00 0.00 60.65 62.43 2br6 s ILE 122 Cb -0.19 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.01 2br6 s ILE 122 CO 0.07 -0.21 0.16 0.54 0.00 0.00 0.00 174.94 175.50 2br6 s VAL 123 N 3.19 0.05 0.28 2.92 0.11 -0.99 -1.12 120.40 124.84 2br6 s VAL 123 Ca 0.42 -0.38 -0.29 0.00 -2.93 0.00 0.00 61.98 58.79 2br6 s VAL 123 Cb -0.15 -0.36 -0.10 0.00 -1.53 0.00 0.00 36.38 34.24 2br6 s VAL 123 CO 0.08 -0.21 1.21 -1.10 -3.33 0.00 0.00 175.10 171.76 2br6 s GLN 124 N -0.74 4.49 0.24 1.54 -1.52 -1.26 -1.10 119.66 121.31 2br6 s GLN 124 Ca -0.08 2.00 -0.04 0.00 -1.95 0.00 0.00 55.36 55.29 2br6 s GLN 124 Cb -0.05 -3.15 0.45 0.00 -0.22 0.00 0.00 33.01 30.05 2br6 s GLN 124 CO 0.01 -0.02 1.72 -0.09 -0.25 0.00 0.00 175.29 176.66 2br6 h ARG 125 N 3.91 0.40 0.00 2.91 2.43 -0.65 -0.22 114.38 123.16 2br6 h ARG 125 Ca -0.47 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.59 2br6 h ARG 125 Cb 1.22 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2br6 h ARG 125 CO 0.68 0.26 -0.38 1.79 -1.51 0.00 0.00 179.97 180.81 2br6 h THR 126 N 0.41 1.22 -0.04 0.20 1.35 -1.89 -0.16 112.91 114.00 2br6 h THR 126 Ca 0.41 -1.33 -0.05 0.00 -0.55 0.00 0.00 66.41 64.89 2br6 h THR 126 Cb 0.64 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2br6 h THR 126 CO -0.42 0.37 -0.17 -0.08 -0.25 0.00 0.00 175.52 174.97 2br6 h GLU 127 N 0.00 0.19 0.09 4.72 4.57 -1.52 -2.25 114.58 120.39 2br6 h GLU 127 Ca -0.00 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2br6 h GLU 127 Cb 0.70 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2br6 h GLU 127 CO 0.05 0.79 -0.05 -0.92 -1.18 0.00 0.00 179.01 177.70 2br6 h TYR 128 N -0.37 -0.13 -0.68 0.92 3.20 -0.86 0.66 116.97 119.71 2br6 h TYR 128 Ca -0.01 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2br6 h TYR 128 Cb 0.82 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 2br6 h TYR 128 CO 0.14 -0.08 0.26 0.93 -1.64 0.00 0.00 178.16 177.76 2br6 h GLU 129 N -0.14 1.01 -0.73 1.82 5.08 -1.14 -1.86 114.58 118.61 2br6 h GLU 129 Ca -0.01 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 2br6 h GLU 129 Cb 0.11 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2br6 h GLU 129 CO 0.01 0.83 0.34 0.00 -1.00 0.00 0.00 179.01 179.19 2br6 h ALA 130 N 1.30 0.95 0.00 3.43 0.00 -1.09 -2.88 119.26 120.96 2br6 h ALA 130 Ca 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2br6 h ALA 130 Cb 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2br6 h ALA 130 CO -0.02 0.53 -0.15 0.00 0.00 0.00 0.00 179.25 179.61 2br6 h ALA 131 N 1.17 1.14 0.00 0.00 0.00 -0.09 0.30 119.26 121.77 2br6 h ALA 131 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2br6 h ALA 131 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2br6 h ALA 131 CO -0.03 0.19 0.00 -0.07 0.00 0.00 0.00 179.25 179.34 2br6 h LEU 132 N 0.00 0.00 0.00 0.00 3.38 -1.17 -3.39 115.31 114.13 2br6 h LEU 132 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2br6 h LEU 132 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2br6 h LEU 132 CO 0.02 0.00 -0.41 1.41 0.09 0.00 0.00 178.44 179.55 2br6 n HIS 133 N -2.33 0.00 -2.69 1.13 8.25 -0.54 -5.09 115.22 113.94 2br6 n HIS 133 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 2br6 n HIS 133 Cb 0.29 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 2br6 n HIS 133 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2br6 s ARG 134 N -1.41 4.79 0.40 -0.41 0.52 0.93 -4.96 118.95 118.81 2br6 s ARG 134 Ca 0.00 1.55 0.08 0.00 -0.52 0.00 0.00 55.73 56.84 2br6 s ARG 134 Cb 0.00 -3.27 0.82 0.00 0.52 0.00 0.00 34.95 33.02 2br6 s ARG 134 CO 0.00 0.42 2.00 1.49 0.02 0.00 0.00 175.30 179.22 2br6 h GLU 135 N 4.27 0.42 0.00 3.54 4.81 -1.94 -2.82 114.58 122.85 2br6 h GLU 135 Ca -0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2br6 h GLU 135 Cb 1.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2br6 h GLU 135 CO 0.68 0.37 0.00 -0.85 -0.73 0.00 0.00 179.01 178.48 2br6 n GLU 136 N -4.39 0.03 -3.21 1.92 0.00 -1.26 -4.71 120.64 109.02 2br6 n GLU 136 Ca 0.01 0.33 -0.40 0.00 0.00 0.00 0.00 57.16 57.10 2br6 n GLU 136 Cb 0.15 -1.57 -0.07 0.00 0.00 0.00 0.00 31.44 29.95 2br6 n GLU 136 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2br6 s TYR 137 N -3.06 3.31 0.38 -1.84 2.02 -1.07 -4.84 117.35 112.25 2br6 s TYR 137 Ca 0.05 0.73 -0.24 0.00 -0.37 0.00 0.00 57.07 57.24 2br6 s TYR 137 Cb 0.08 -2.73 -0.10 0.00 -0.40 0.00 0.00 41.96 38.81 2br6 s TYR 137 CO 0.24 -0.23 0.97 -1.64 -1.57 0.00 0.00 175.55 173.32 2br6 s MET 138 N 2.11 4.36 0.37 -0.62 -1.94 -1.26 -4.96 119.30 117.36 2br6 s MET 138 Ca 0.23 1.30 0.08 0.00 -1.71 0.00 0.00 55.69 55.59 2br6 s MET 138 Cb -0.16 -2.52 0.79 0.00 2.01 0.00 0.00 34.83 34.96 2br6 s MET 138 CO 0.09 0.07 1.94 -0.22 -0.01 0.00 0.00 175.02 176.89 2br6 h LYS 139 N 2.57 0.68 -0.59 2.03 1.63 -1.96 -0.31 116.57 120.62 2br6 h LYS 139 Ca -0.48 -0.04 0.17 0.00 -0.85 0.00 0.00 60.65 59.45 2br6 h LYS 139 Cb 1.19 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.65 2br6 h LYS 139 CO 0.63 0.45 0.56 0.93 -3.45 0.00 0.00 179.45 178.56 2br6 h GLU 140 N 0.70 0.00 -0.01 1.90 3.07 -1.92 -0.64 114.58 117.67 2br6 h GLU 140 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2br6 h GLU 140 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2br6 h GLU 140 CO -0.12 0.00 -0.31 0.00 -1.40 0.00 0.00 179.01 177.18 2br6 n ILE 142 N -0.21 0.85 -1.83 0.00 0.13 -0.27 -4.91 119.36 113.12 2br6 n ILE 142 Ca 0.12 -2.57 -0.41 0.00 -1.10 0.00 0.00 62.75 58.79 2br6 n ILE 142 Cb 0.41 0.98 -0.00 0.00 -0.84 0.00 0.00 39.64 40.19 2br6 n ILE 142 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2br6 s LEU 143 N -3.50 4.33 0.33 9.51 1.43 -1.06 -4.90 118.68 124.82 2br6 s LEU 143 Ca 0.24 3.01 0.16 0.00 -1.03 0.00 0.00 54.13 56.52 2br6 s LEU 143 Cb 0.40 -3.66 0.48 0.00 0.03 0.00 0.00 46.19 43.43 2br6 s LEU 143 CO -0.03 -0.85 1.64 1.55 0.23 0.00 0.00 176.35 178.90 2br6 h PRO 144 N 3.20 0.00 -0.17 1.29 0.13 -2.00 -3.34 132.00 131.11 2br6 h PRO 144 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2br6 h PRO 144 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2br6 h PRO 144 CO 0.66 0.47 0.00 0.72 -0.23 0.00 0.00 178.00 179.61 2br6 n HIS 145 N -3.50 0.53 -1.45 1.56 8.25 -1.26 -5.00 115.22 114.35 2br6 n HIS 145 Ca 0.00 -0.84 -0.30 0.00 -0.26 0.00 0.00 57.72 56.32 2br6 n HIS 145 Cb 0.59 -0.21 0.11 0.00 1.12 0.00 0.00 29.99 31.59 2br6 n HIS 145 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2br6 s LEU 146 N -2.49 2.47 -1.33 2.41 1.43 -1.26 -4.94 118.68 114.97 2br6 s LEU 146 Ca 0.34 1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 54.67 2br6 s LEU 146 Cb 0.27 -3.89 0.13 0.00 0.03 0.00 0.00 46.19 42.73 2br6 s LEU 146 CO 0.07 -2.20 1.95 -3.20 0.23 0.00 0.00 176.35 173.20 2br6 n ASN 147 N -3.58 4.74 -4.74 2.29 5.15 -1.26 -4.98 115.26 112.87 2br6 n ASN 147 Ca 0.07 -3.02 -0.41 0.00 -0.60 0.00 0.00 54.58 50.62 2br6 n ASN 147 Cb 0.56 -1.55 -0.03 0.00 -0.53 0.00 0.00 39.78 38.24 2br6 n ASN 147 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2br6 s TYR 148 N 1.41 3.08 -0.50 1.20 2.02 -1.26 -1.25 117.35 122.04 2br6 s TYR 148 Ca 0.42 1.03 -0.02 0.00 -0.37 0.00 0.00 57.07 58.13 2br6 s TYR 148 Cb 0.10 -3.78 0.13 0.00 -0.40 0.00 0.00 41.96 38.01 2br6 s TYR 148 CO -0.02 -2.55 0.30 0.21 -1.57 0.00 0.00 175.55 171.92 2br6 s LYS 149 N -0.16 2.23 -0.16 -0.62 2.20 0.97 -4.81 119.74 119.39 2br6 s LYS 149 Ca 0.60 -2.16 -0.24 0.00 -0.36 0.00 0.00 55.97 53.81 2br6 s LYS 149 Cb -0.41 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.27 2br6 s LYS 149 CO 0.41 -1.11 0.78 0.42 -0.36 0.00 0.00 175.35 175.48 2br6 s ILE 150 N 0.56 4.93 0.39 5.43 1.01 -1.26 -2.34 121.20 129.92 2br6 s ILE 150 Ca 0.12 1.53 0.07 0.00 0.00 0.00 0.00 60.65 62.37 2br6 s ILE 150 Cb -0.22 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.09 2br6 s ILE 150 CO -0.04 0.07 -0.00 0.27 0.00 0.00 0.00 174.94 175.24 2br6 s ILE 151 N 1.93 1.97 -0.14 2.92 -4.36 -0.26 -4.87 121.20 118.39 2br6 s ILE 151 Ca 0.36 -2.03 -0.04 0.00 -0.26 0.00 0.00 60.65 58.69 2br6 s ILE 151 Cb -0.17 -2.93 0.05 0.00 1.25 0.00 0.00 42.46 40.66 2br6 s ILE 151 CO 0.13 -0.03 0.06 -1.61 0.24 0.00 0.00 174.94 173.73 2br6 s GLU 152 N -3.71 0.23 1.43 0.37 8.01 -1.26 0.13 118.70 123.90 2br6 s GLU 152 Ca 0.35 -0.05 0.00 0.00 0.01 0.00 0.00 54.97 55.28 2br6 s GLU 152 Cb 0.09 -1.54 0.00 0.00 -4.31 0.00 0.00 34.13 28.37 2br6 s GLU 152 CO 0.18 -0.56 0.00 0.41 0.01 0.00 0.00 175.26 175.30 2br6 n GLY 153 N 5.22 -0.98 3.78 -1.39 0.00 -1.26 -4.92 105.19 105.63 2br6 n GLY 153 Ca -0.07 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 2br6 n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2br6 s ASP 154 N -4.00 5.85 -0.28 1.61 1.01 -1.26 -4.45 116.67 115.15 2br6 s ASP 154 Ca 0.00 2.10 -0.16 0.00 0.71 0.00 0.00 52.55 55.20 2br6 s ASP 154 Cb 0.00 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.44 2br6 s ASP 154 CO 0.00 -1.13 0.68 -0.47 0.21 0.00 0.00 175.17 174.46 2br6 s TYR 155 N -1.86 -1.04 -0.28 4.23 5.04 -0.96 -4.99 117.35 117.48 2br6 s TYR 155 Ca 0.71 2.10 -0.21 0.00 -2.44 0.00 0.00 57.07 57.23 2br6 s TYR 155 Cb -0.22 0.61 -0.01 0.00 0.35 0.00 0.00 41.96 42.69 2br6 s TYR 155 CO 0.26 -0.52 0.68 -2.00 -1.34 0.00 0.00 175.55 172.63 2br6 s GLU 156 N 1.59 4.03 -0.07 4.97 2.12 -1.26 -0.35 118.70 129.72 2br6 s GLU 156 Ca -0.10 0.52 -0.09 0.00 0.36 0.00 0.00 54.97 55.66 2br6 s GLU 156 Cb -0.05 -3.69 -0.06 0.00 0.26 0.00 0.00 34.13 30.59 2br6 s GLU 156 CO -0.19 -0.52 0.37 0.28 -0.54 0.00 0.00 175.26 174.66 2br6 h VAL 157 N 5.49 0.14 -4.21 3.70 2.07 -1.44 -3.48 116.25 118.51 2br6 h VAL 157 Ca -0.26 -0.89 -0.15 0.00 0.82 0.00 0.00 66.70 66.22 2br6 h VAL 157 Cb 1.11 0.24 -0.14 0.00 -1.52 0.00 0.00 31.29 30.98 2br6 h VAL 157 CO 0.81 0.04 -0.53 0.68 0.02 0.00 0.00 177.57 178.59 2br6 s VAL 158 N -2.49 0.10 0.11 2.57 -7.23 -1.22 -5.05 120.40 107.19 2br6 s VAL 158 Ca -0.05 -1.70 -0.36 0.00 -1.81 0.00 0.00 61.98 58.06 2br6 s VAL 158 Cb 0.00 -1.90 -0.16 0.00 0.56 0.00 0.00 36.38 34.89 2br6 s VAL 158 CO 0.17 -0.47 1.44 -2.65 -0.31 0.00 0.00 175.10 173.28 2br6 n PRO 159 N -0.11 1.54 -0.05 4.82 -0.02 -1.26 -1.14 135.00 138.77 2br6 n PRO 159 Ca -0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2br6 n PRO 159 Cb 0.63 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2br6 n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2br6 n GLY 160 N 2.90 1.02 2.81 -1.23 0.00 -1.13 -4.62 105.19 104.95 2br6 n GLY 160 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2br6 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br6 s VAL 161 N -2.41 0.86 0.04 1.61 1.01 -0.29 -1.71 120.40 119.51 2br6 s VAL 161 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.28 2br6 s VAL 161 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 2br6 s VAL 161 CO 0.00 -0.15 -0.17 -1.10 0.00 0.00 0.00 175.10 173.68 2br6 s GLN 162 N 1.71 1.13 -0.17 2.72 -0.21 -0.12 -0.99 119.66 123.72 2br6 s GLN 162 Ca -0.02 -0.80 -0.07 0.00 0.02 0.00 0.00 55.36 54.48 2br6 s GLN 162 Cb -0.17 -1.17 -0.04 0.00 1.00 0.00 0.00 33.01 32.62 2br6 s GLN 162 CO -0.07 0.30 0.07 -0.51 -2.12 0.00 0.00 175.29 172.96 2br6 s LEU 163 N -1.06 3.92 -0.24 2.90 1.43 0.53 -0.60 118.68 125.54 2br6 s LEU 163 Ca 0.04 0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.24 2br6 s LEU 163 Cb -0.08 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 2br6 s LEU 163 CO 0.01 0.22 0.00 -0.76 0.23 0.00 0.00 176.35 176.05 2br6 s LEU 164 N 0.11 3.17 -0.08 1.79 1.43 -0.16 -2.28 118.68 122.66 2br6 s LEU 164 Ca 0.06 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 2br6 s LEU 164 Cb -0.12 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 2br6 s LEU 164 CO 0.00 -0.05 1.68 -0.47 0.23 0.00 0.00 176.35 177.75 2br6 s TYR 165 N 1.51 1.94 -0.41 0.29 5.04 -1.26 -0.44 117.35 124.01 2br6 s TYR 165 Ca 0.05 0.22 0.10 0.00 -2.44 0.00 0.00 57.07 55.00 2br6 s TYR 165 Cb -0.15 -3.94 0.30 0.00 0.35 0.00 0.00 41.96 38.52 2br6 s TYR 165 CO -0.01 -3.81 0.67 0.25 -1.34 0.00 0.00 175.55 171.32 2br6 n THR 166 N 5.69 0.07 -1.20 4.34 -2.24 -0.07 -4.91 114.28 115.95 2br6 n THR 166 Ca 0.18 -4.50 -0.31 0.00 -2.27 0.00 0.00 64.05 57.15 2br6 n THR 166 Cb 0.43 -1.12 0.10 0.00 -2.10 0.00 0.00 70.33 67.65 2br6 n THR 166 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2br6 s PRO 167 N -2.05 2.08 0.00 -0.78 0.04 -1.10 -4.35 135.00 128.84 2br6 s PRO 167 Ca 0.39 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2br6 s PRO 167 Cb 0.26 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2br6 s PRO 167 CO -0.09 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.57 2br6 n GLY 168 N -0.90 2.62 0.22 0.56 0.00 -1.26 -3.50 105.19 102.93 2br6 n GLY 168 Ca 0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 2br6 n GLY 168 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2br6 h HIS 169 N 0.00 0.23 -3.34 1.61 -0.00 -1.80 0.31 115.15 112.15 2br6 h HIS 169 Ca 0.00 0.03 -0.37 0.00 -0.00 0.00 0.00 60.37 60.03 2br6 h HIS 169 Cb 0.00 -0.01 -0.14 0.00 -0.00 0.00 0.00 27.41 27.25 2br6 h HIS 169 CO 0.00 0.00 -0.66 -1.54 -0.00 0.00 0.00 177.93 175.73 2br6 s SER 170 N -5.32 1.80 0.42 3.26 1.04 -1.26 -1.11 113.70 112.52 2br6 s SER 170 Ca -0.13 -1.20 0.13 0.00 0.48 0.00 0.00 55.95 55.23 2br6 s SER 170 Cb 0.17 0.01 0.99 0.00 0.10 0.00 0.00 66.02 67.29 2br6 s SER 170 CO 0.74 -0.50 1.95 -0.65 0.98 0.00 0.00 173.24 175.75 2br6 h PRO 171 N 2.50 0.46 -0.17 4.02 0.11 -1.87 -3.08 132.00 133.97 2br6 h PRO 171 Ca -0.38 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.53 2br6 h PRO 171 Cb 1.22 -0.10 -0.26 0.00 0.11 0.00 0.00 31.00 31.97 2br6 h PRO 171 CO 0.64 0.30 -0.83 0.41 -0.21 0.00 0.00 178.00 178.32 2br6 n GLY 172 N -1.51 3.34 3.78 -0.55 0.00 -1.26 -4.58 105.19 104.40 2br6 n GLY 172 Ca 0.12 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 2br6 n GLY 172 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2br6 s HIS 173 N -2.19 2.57 0.03 1.61 2.46 -1.17 -4.50 115.29 114.11 2br6 s HIS 173 Ca 0.37 1.10 0.04 0.00 0.47 0.00 0.00 55.06 57.03 2br6 s HIS 173 Cb 0.38 -4.06 -0.02 0.00 -0.13 0.00 0.00 32.58 28.75 2br6 s HIS 173 CO -0.09 -3.16 -0.11 1.14 -2.47 0.00 0.00 174.74 170.05 2br6 s GLN 174 N -1.90 0.76 0.44 2.88 -2.07 0.12 -0.89 119.66 118.99 2br6 s GLN 174 Ca 0.54 -0.63 0.07 0.00 -1.82 0.00 0.00 55.36 53.53 2br6 s GLN 174 Cb -0.47 -0.70 -0.01 0.00 -1.09 0.00 0.00 33.01 30.73 2br6 s GLN 174 CO 0.62 0.17 0.38 -1.12 -1.32 0.00 0.00 175.29 174.02 2br6 s SER 175 N -0.98 4.95 -0.08 12.60 0.01 0.41 -4.53 113.70 126.08 2br6 s SER 175 Ca -0.01 -0.84 0.05 0.00 1.31 0.00 0.00 55.95 56.46 2br6 s SER 175 Cb -0.07 -0.41 -0.01 0.00 0.21 0.00 0.00 66.02 65.75 2br6 s SER 175 CO 0.01 -0.73 -0.23 -0.76 0.41 0.00 0.00 173.24 171.94 2br6 s LEU 176 N -4.15 2.17 -0.21 2.44 2.01 -0.33 -0.99 118.68 119.61 2br6 s LEU 176 Ca 0.46 -0.49 0.00 0.00 0.01 0.00 0.00 54.13 54.11 2br6 s LEU 176 Cb -0.03 -1.41 0.02 0.00 0.01 0.00 0.00 46.19 44.78 2br6 s LEU 176 CO 0.27 0.22 -0.14 0.12 1.01 0.00 0.00 176.35 177.83 2br6 s PHE 177 N -0.01 2.92 0.04 0.29 5.36 0.23 -0.98 117.98 125.83 2br6 s PHE 177 Ca -0.08 -1.61 0.07 0.00 -0.96 0.00 0.00 56.93 54.35 2br6 s PHE 177 Cb -0.15 -1.98 -0.02 0.00 -0.34 0.00 0.00 43.02 40.53 2br6 s PHE 177 CO 0.05 -0.77 -0.20 0.42 -1.46 0.00 0.00 175.22 173.27 2br6 s ILE 178 N 1.30 1.57 -0.19 3.12 1.01 -0.10 -0.95 121.20 126.96 2br6 s ILE 178 Ca 0.02 -1.14 -0.03 0.00 0.00 0.00 0.00 60.65 59.50 2br6 s ILE 178 Cb -0.15 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2br6 s ILE 178 CO -0.09 0.19 -0.05 -0.54 0.00 0.00 0.00 174.94 174.44 2br6 s LYS 179 N -1.12 3.45 0.18 2.79 1.02 -0.70 -0.05 119.74 125.31 2br6 s LYS 179 Ca 0.07 -0.61 0.06 0.00 0.02 0.00 0.00 55.97 55.51 2br6 s LYS 179 Cb -0.09 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 2br6 s LYS 179 CO 0.02 -0.03 0.10 0.95 -0.92 0.00 0.00 175.35 175.47 2br6 s THR 180 N 1.03 4.23 0.25 2.17 -4.23 -0.27 -0.43 115.64 118.39 2br6 s THR 180 Ca 0.00 -1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 59.23 2br6 s THR 180 Cb -0.15 -3.17 0.25 0.00 1.34 0.00 0.00 72.50 70.77 2br6 s THR 180 CO 0.00 -0.14 1.90 -0.08 -0.54 0.00 0.00 174.62 175.76 2br6 h GLU 181 N 2.39 1.18 0.00 3.99 4.81 -0.96 -1.11 114.58 124.87 2br6 h GLU 181 Ca -0.47 -0.07 -0.23 0.00 -0.13 0.00 0.00 59.36 58.45 2br6 h GLU 181 Cb 1.21 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 2br6 h GLU 181 CO 0.61 0.78 -1.36 1.96 -0.73 0.00 0.00 179.01 180.27 2br6 h GLN 182 N 1.21 0.00 0.00 1.92 1.08 -1.83 -3.41 115.11 114.09 2br6 h GLN 182 Ca 0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 2br6 h GLN 182 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2br6 h GLN 182 CO -0.12 0.60 -0.40 0.43 -0.95 0.00 0.00 178.83 178.39 2br6 n SER 183 N -3.12 2.00 0.00 1.46 7.64 -1.20 -5.11 113.62 115.28 2br6 n SER 183 Ca -0.09 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2br6 n SER 183 Cb 0.96 1.00 0.00 0.00 -1.01 0.00 0.00 64.21 65.16 2br6 n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2br6 n GLY 184 N 1.60 1.18 3.72 0.23 0.00 -0.43 -4.86 105.19 106.63 2br6 n GLY 184 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2br6 n GLY 184 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2br6 s SER 185 N -4.00 7.23 -0.05 1.61 0.01 -1.26 -1.12 113.70 116.13 2br6 s SER 185 Ca 0.00 1.93 0.01 0.00 1.31 0.00 0.00 55.95 59.21 2br6 s SER 185 Cb 0.00 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2br6 s SER 185 CO 0.00 -0.32 -0.06 -0.69 0.41 0.00 0.00 173.24 172.59 2br6 s VAL 186 N 0.60 0.63 -0.23 3.43 1.01 0.93 -1.49 120.40 125.28 2br6 s VAL 186 Ca 0.54 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 2br6 s VAL 186 Cb -0.27 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 2br6 s VAL 186 CO 0.31 0.25 -0.00 -0.22 0.00 0.00 0.00 175.10 175.43 2br6 s LEU 187 N 0.93 3.11 -0.47 3.92 2.96 0.61 -0.92 118.68 128.82 2br6 s LEU 187 Ca -0.11 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 53.31 2br6 s LEU 187 Cb -0.14 -1.80 0.08 0.00 0.50 0.00 0.00 46.19 44.83 2br6 s LEU 187 CO 0.00 -0.03 0.37 -0.76 -1.32 0.00 0.00 176.35 174.61 2br6 s LEU 188 N 1.52 5.56 0.44 -0.68 1.43 -0.15 -0.57 118.68 126.23 2br6 s LEU 188 Ca 0.06 -1.43 0.22 0.00 -1.03 0.00 0.00 54.13 51.94 2br6 s LEU 188 Cb -0.15 -2.13 1.03 0.00 0.03 0.00 0.00 46.19 44.97 2br6 s LEU 188 CO -0.01 -0.64 1.90 0.71 0.23 0.00 0.00 176.35 178.54 2br6 h THR 189 N 5.86 0.79 0.00 5.49 1.35 -1.63 -0.86 112.91 123.92 2br6 h THR 189 Ca -0.27 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 2br6 h THR 189 Cb 1.10 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2br6 h THR 189 CO 0.86 0.24 0.00 -0.38 -0.25 0.00 0.00 175.52 176.00 2br6 n ILE 190 N -3.69 0.00 1.12 6.82 2.08 -1.26 -2.28 119.36 122.15 2br6 n ILE 190 Ca -0.01 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.33 2br6 n ILE 190 Cb 0.36 0.00 0.11 0.00 -0.75 0.00 0.00 39.64 39.36 2br6 n ILE 190 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2br6 n ASP 191 N 1.40 1.46 0.22 4.38 9.92 -1.26 -2.29 116.55 130.38 2br6 n ASP 191 Ca 0.00 -2.04 0.16 0.00 -0.53 0.00 0.00 54.79 52.37 2br6 n ASP 191 Cb 0.00 -0.22 0.69 0.00 -0.64 0.00 0.00 41.12 40.96 2br6 n ASP 191 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2br6 h ALA 192 N 3.34 1.00 -1.71 2.24 0.00 -1.77 -3.41 119.26 118.95 2br6 h ALA 192 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2br6 h ALA 192 Cb 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.00 2br6 h ALA 192 CO 0.02 0.00 -0.16 -1.12 0.00 0.00 0.00 179.25 177.99 2br6 s SER 193 N -4.89 -1.20 0.08 0.00 0.01 -1.20 -4.80 113.70 101.71 2br6 s SER 193 Ca 0.01 1.37 -0.19 0.00 1.31 0.00 0.00 55.95 58.45 2br6 s SER 193 Cb 0.09 2.25 -0.08 0.00 0.21 0.00 0.00 66.02 68.49 2br6 s SER 193 CO 0.42 -0.23 1.54 1.88 0.41 0.00 0.00 173.24 177.26 2br6 h TYR 194 N 7.99 0.44 -2.84 2.43 -1.99 -1.79 -1.57 116.97 119.64 2br6 h TYR 194 Ca -0.19 -0.07 -0.46 0.00 2.00 0.00 0.00 58.73 60.01 2br6 h TYR 194 Cb 1.12 -0.12 -0.14 0.00 2.00 0.00 0.00 36.73 39.59 2br6 h TYR 194 CO 0.14 0.56 -0.70 0.95 -0.00 0.00 0.00 178.16 179.11 2br6 s THR 195 N -5.07 1.61 0.30 -2.88 -4.23 -1.26 -1.23 115.64 102.88 2br6 s THR 195 Ca -0.14 -2.15 0.03 0.00 -1.18 0.00 0.00 61.69 58.24 2br6 s THR 195 Cb 0.07 -2.23 0.29 0.00 1.34 0.00 0.00 72.50 71.98 2br6 s THR 195 CO 0.74 -0.46 1.85 0.50 -0.54 0.00 0.00 174.62 176.71 2br6 h LYS 196 N 2.45 0.92 0.00 3.99 3.64 -1.97 -0.97 116.57 124.63 2br6 h LYS 196 Ca -0.39 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 2br6 h LYS 196 Cb 1.23 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2br6 h LYS 196 CO 0.64 0.61 -0.37 1.05 -2.27 0.00 0.00 179.45 179.11 2br6 h GLU 197 N 0.95 0.00 -0.35 1.90 4.11 -1.96 0.15 114.58 119.37 2br6 h GLU 197 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 2br6 h GLU 197 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2br6 h GLU 197 CO -0.25 0.37 0.23 -0.91 0.07 0.00 0.00 179.01 178.52 2br6 h ASN 198 N 0.00 0.41 0.00 3.06 2.35 -1.37 -1.47 115.58 118.56 2br6 h ASN 198 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2br6 h ASN 198 Cb 0.87 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2br6 h ASN 198 CO 0.05 0.30 -0.23 0.15 -1.65 0.00 0.00 177.43 176.05 2br6 h PHE 199 N 0.48 0.00 -0.51 1.19 3.57 -1.20 -3.03 116.94 117.43 2br6 h PHE 199 Ca 0.13 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2br6 h PHE 199 Cb -0.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2br6 h PHE 199 CO 0.00 0.00 0.18 1.49 -2.23 0.00 0.00 178.31 177.75 2br6 h GLU 200 N -0.60 0.77 -0.02 1.11 4.81 -0.84 -3.17 114.58 116.65 2br6 h GLU 200 Ca 0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2br6 h GLU 200 Cb 0.23 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2br6 h GLU 200 CO 0.00 0.70 -0.04 -0.25 -0.73 0.00 0.00 179.01 178.69 2br6 n ASP 201 N -4.52 2.48 -3.73 1.04 8.00 -0.64 -4.98 116.55 114.21 2br6 n ASP 201 Ca 0.02 -1.74 -0.25 0.00 0.71 0.00 0.00 54.79 53.53 2br6 n ASP 201 Cb 0.18 0.05 0.05 0.00 -0.02 0.00 0.00 41.12 41.38 2br6 n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2br6 n GLU 202 N 0.93 -6.03 -2.30 -1.24 1.02 -0.72 -4.93 120.64 107.38 2br6 n GLU 202 Ca 0.11 0.69 -0.43 0.00 -0.02 0.00 0.00 57.16 57.51 2br6 n GLU 202 Cb 0.46 -5.53 -0.02 0.00 -0.02 0.00 0.00 31.44 26.32 2br6 n GLU 202 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2br6 s VAL 203 N -3.42 4.06 0.47 2.62 1.01 -0.90 -4.97 120.40 119.27 2br6 s VAL 203 Ca 0.38 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.38 2br6 s VAL 203 Cb -0.18 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 2br6 s VAL 203 CO 0.79 -0.15 1.39 -2.84 0.00 0.00 0.00 175.10 174.30 2br6 s PRO 204 N 3.75 3.59 0.24 2.72 0.02 -1.26 -4.34 135.00 139.72 2br6 s PRO 204 Ca 0.61 2.34 -0.05 0.00 0.02 0.00 0.00 61.00 63.92 2br6 s PRO 204 Cb -0.24 -2.57 -0.02 0.00 0.02 0.00 0.00 34.50 31.68 2br6 s PRO 204 CO 0.20 -0.86 0.29 -0.59 -0.33 0.00 0.00 177.00 175.70 2br6 s PHE 205 N -1.24 0.91 0.19 6.54 -0.12 -1.26 -0.60 117.98 122.41 2br6 s PHE 205 Ca 0.63 -1.17 -0.33 0.00 -0.05 0.00 0.00 56.93 56.01 2br6 s PHE 205 Cb -0.42 -0.27 -0.13 0.00 -0.63 0.00 0.00 43.02 41.57 2br6 s PHE 205 CO 0.53 -0.82 1.62 0.00 -0.05 0.00 0.00 175.22 176.50 2br6 n ALA 206 N -0.35 1.94 -3.55 1.99 0.00 -0.59 -4.91 120.51 115.04 2br6 n ALA 206 Ca 0.01 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.79 2br6 n ALA 206 Cb 0.64 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 2br6 n ALA 206 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2br6 s GLY 207 N 0.94 -0.35 0.21 0.00 0.00 -1.26 -4.84 107.32 102.01 2br6 s GLY 207 Ca 0.76 1.51 -0.10 0.00 0.00 0.00 0.00 44.72 46.89 2br6 s GLY 207 CO 0.37 0.63 1.86 -2.75 0.00 0.00 0.00 173.10 173.21 2br6 h PHE 208 N 2.19 0.86 -2.12 1.90 3.57 -0.60 -3.39 116.94 119.35 2br6 h PHE 208 Ca -0.18 0.02 -0.48 0.00 3.53 0.00 0.00 57.97 60.86 2br6 h PHE 208 Cb 1.20 -0.28 -0.34 0.00 2.79 0.00 0.00 35.95 39.32 2br6 h PHE 208 CO 0.27 0.51 -0.83 0.34 -2.23 0.00 0.00 178.31 176.37 2br6 s ASP 209 N -5.79 1.19 0.41 0.41 -1.08 0.10 -5.02 116.67 106.90 2br6 s ASP 209 Ca -0.13 -2.45 0.17 0.00 -0.52 0.00 0.00 52.55 49.62 2br6 s ASP 209 Cb 0.15 0.10 1.07 0.00 -1.46 0.00 0.00 42.92 42.78 2br6 s ASP 209 CO 0.77 -0.19 1.84 -0.65 0.52 0.00 0.00 175.17 177.46 2br6 h PRO 210 N 6.04 0.41 -0.29 4.34 0.11 -1.77 0.37 132.00 141.21 2br6 h PRO 210 Ca 0.16 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 2br6 h PRO 210 Cb 0.98 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2br6 h PRO 210 CO 0.27 0.27 0.09 1.49 -0.21 0.00 0.00 178.00 179.91 2br6 h GLU 211 N 0.42 0.45 -0.58 1.05 4.81 -1.95 -0.30 114.58 118.49 2br6 h GLU 211 Ca 0.49 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.53 2br6 h GLU 211 Cb 1.20 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2br6 h GLU 211 CO -0.20 0.51 -0.00 1.25 -0.73 0.00 0.00 179.01 179.84 2br6 h LEU 212 N 0.31 0.98 -0.74 1.64 5.85 -1.65 -2.44 115.31 119.26 2br6 h LEU 212 Ca 0.09 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.61 2br6 h LEU 212 Cb 0.25 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 2br6 h LEU 212 CO -0.00 1.04 0.42 0.00 -0.34 0.00 0.00 178.44 179.56 2br6 h ALA 213 N 1.06 1.01 -0.37 1.25 0.00 -0.68 -0.63 119.26 120.89 2br6 h ALA 213 Ca 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2br6 h ALA 213 Cb 0.54 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2br6 h ALA 213 CO 0.03 0.10 0.14 1.25 0.00 0.00 0.00 179.25 180.77 2br6 h LEU 214 N 0.76 0.52 -1.38 0.00 5.85 -0.77 -1.22 115.31 119.07 2br6 h LEU 214 Ca 0.33 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2br6 h LEU 214 Cb 0.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2br6 h LEU 214 CO -0.20 0.56 0.01 0.77 -0.34 0.00 0.00 178.44 179.24 2br6 h SER 215 N 0.45 0.39 -0.62 1.25 4.64 -1.03 -0.42 113.55 118.21 2br6 h SER 215 Ca 0.12 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 2br6 h SER 215 Cb 0.21 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2br6 h SER 215 CO -0.01 0.44 0.14 0.28 -0.87 0.00 0.00 176.83 176.81 2br6 h SER 216 N 0.41 0.95 -0.57 4.97 0.02 -0.75 -0.73 113.55 117.84 2br6 h SER 216 Ca 0.09 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2br6 h SER 216 Cb 0.25 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2br6 h SER 216 CO 0.01 0.94 0.38 0.40 -1.14 0.00 0.00 176.83 177.41 2br6 h ILE 217 N 0.91 1.14 -0.73 3.27 2.04 -0.69 -0.90 117.51 122.55 2br6 h ILE 217 Ca 0.19 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2br6 h ILE 217 Cb 0.37 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2br6 h ILE 217 CO 0.00 0.14 0.47 0.11 0.00 0.00 0.00 178.15 178.88 2br6 h LYS 218 N 0.77 0.92 -0.50 2.37 1.79 -0.74 0.69 116.57 121.88 2br6 h LYS 218 Ca 0.21 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.53 2br6 h LYS 218 Cb -0.09 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.34 2br6 h LYS 218 CO -0.05 0.61 -0.08 -0.09 -1.08 0.00 0.00 179.45 178.77 2br6 h ARG 219 N 0.95 0.94 -0.52 3.15 2.43 -0.83 -2.13 114.38 118.36 2br6 h ARG 219 Ca 0.28 -0.34 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2br6 h ARG 219 Cb -0.06 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 2br6 h ARG 219 CO -0.08 1.00 0.35 -0.07 -1.51 0.00 0.00 179.97 179.65 2br6 h LEU 220 N 0.79 0.52 -1.24 3.80 3.38 -0.67 -1.11 115.31 120.78 2br6 h LEU 220 Ca 0.13 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2br6 h LEU 220 Cb 0.62 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2br6 h LEU 220 CO 0.04 0.36 0.09 0.11 0.09 0.00 0.00 178.44 179.13 2br6 h LYS 221 N 0.60 0.62 -0.60 1.13 1.57 -0.25 0.96 116.57 120.60 2br6 h LYS 221 Ca 0.21 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 2br6 h LYS 221 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2br6 h LYS 221 CO -0.05 0.57 -0.01 0.93 -0.57 0.00 0.00 179.45 180.32 2br6 h GLU 222 N 0.60 1.06 -0.35 3.15 4.39 -0.68 -0.51 114.58 122.24 2br6 h GLU 222 Ca 0.14 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 2br6 h GLU 222 Cb 0.24 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2br6 h GLU 222 CO -0.00 1.04 0.15 0.28 -1.16 0.00 0.00 179.01 179.32 2br6 h VAL 223 N 0.97 1.18 -0.78 3.13 2.07 -0.88 -2.69 116.25 119.25 2br6 h VAL 223 Ca 0.17 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2br6 h VAL 223 Cb 0.57 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2br6 h VAL 223 CO 0.03 0.20 0.44 0.58 0.02 0.00 0.00 177.57 178.84 2br6 h VAL 224 N 0.43 1.23 -0.83 2.57 2.07 -0.54 0.00 116.25 121.18 2br6 h VAL 224 Ca 0.12 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2br6 h VAL 224 Cb 0.17 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 2br6 h VAL 224 CO -0.01 0.25 0.45 0.11 0.02 0.00 0.00 177.57 178.39 2br6 h LYS 225 N 1.09 1.16 0.19 1.57 1.57 -0.93 0.54 116.57 121.76 2br6 h LYS 225 Ca 0.28 -0.14 -0.32 0.00 -1.87 0.00 0.00 60.65 58.60 2br6 h LYS 225 Cb -0.00 -0.23 0.02 0.00 0.08 0.00 0.00 32.23 32.10 2br6 h LYS 225 CO -0.05 0.85 -1.48 0.87 -0.57 0.00 0.00 179.45 179.07 2br6 h LYS 226 N 1.17 0.41 0.00 3.15 1.57 -1.10 -3.39 116.57 118.37 2br6 h LYS 226 Ca 0.29 -0.70 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2br6 h LYS 226 Cb 0.04 0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2br6 h LYS 226 CO -0.05 1.32 -1.69 0.39 -0.57 0.00 0.00 179.45 178.85 2br6 n GLU 227 N -3.61 0.47 -3.99 3.15 -0.58 -0.06 -5.03 120.64 110.99 2br6 n GLU 227 Ca -0.16 -0.14 -0.39 0.00 -0.42 0.00 0.00 57.16 56.05 2br6 n GLU 227 Cb 1.07 -1.36 0.01 0.00 -0.57 0.00 0.00 31.44 30.59 2br6 n GLU 227 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2br6 n LYS 228 N -2.03 -0.90 -2.08 3.49 5.02 0.18 -4.91 118.16 116.92 2br6 n LYS 228 Ca -0.03 0.21 -0.28 0.00 -2.02 0.00 0.00 58.31 56.19 2br6 n LYS 228 Cb 0.40 -3.29 0.06 0.00 -0.02 0.00 0.00 35.03 32.18 2br6 n LYS 228 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2br6 s PRO 229 N -6.96 2.49 0.13 1.97 0.04 -1.26 -4.92 135.00 126.49 2br6 s PRO 229 Ca 0.38 0.10 -0.27 0.00 0.04 0.00 0.00 61.00 61.24 2br6 s PRO 229 Cb -0.18 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 2br6 s PRO 229 CO 0.94 -1.15 0.84 0.96 0.04 0.00 0.00 177.00 178.63 2br6 s ILE 230 N -3.30 4.45 -0.09 0.56 -4.36 -0.55 -4.85 121.20 113.04 2br6 s ILE 230 Ca 0.59 1.83 0.02 0.00 -0.26 0.00 0.00 60.65 62.83 2br6 s ILE 230 Cb -0.11 -4.21 -0.02 0.00 1.25 0.00 0.00 42.46 39.38 2br6 s ILE 230 CO 0.48 0.43 -0.15 -0.63 0.24 0.00 0.00 174.94 175.31 2br6 s ILE 231 N -0.60 2.92 -0.12 8.37 1.01 -1.26 -0.29 121.20 131.24 2br6 s ILE 231 Ca 0.40 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2br6 s ILE 231 Cb -0.23 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.08 2br6 s ILE 231 CO 0.27 0.56 -0.17 -0.36 0.00 0.00 0.00 174.94 175.23 2br6 s PHE 232 N -0.13 2.21 0.62 3.97 0.08 0.26 -4.97 117.98 120.03 2br6 s PHE 232 Ca -0.02 -1.08 -0.04 0.00 0.12 0.00 0.00 56.93 55.91 2br6 s PHE 232 Cb -0.14 -1.56 0.04 0.00 -0.57 0.00 0.00 43.02 40.79 2br6 s PHE 232 CO 0.04 -0.53 0.91 -0.06 -0.10 0.00 0.00 175.22 175.47 2br6 s PHE 233 N 0.95 3.01 0.04 0.36 0.40 -1.26 -1.81 117.98 119.67 2br6 s PHE 233 Ca -0.06 0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 56.47 2br6 s PHE 233 Cb -0.15 -2.92 -0.17 0.00 0.51 0.00 0.00 43.02 40.29 2br6 s PHE 233 CO -0.02 -1.07 1.25 0.78 0.70 0.00 0.00 175.22 176.86 2br6 h GLY 234 N -0.28 0.49 -5.66 4.36 0.00 -0.85 -3.40 103.07 97.74 2br6 h GLY 234 Ca -0.44 -0.64 -0.41 0.00 0.00 0.00 0.00 47.33 45.84 2br6 h GLY 234 CO 0.58 0.57 -0.93 1.42 0.00 0.00 0.00 176.54 178.18 2br6 n HIS 235 N -4.36 -0.97 -3.73 5.60 8.25 -0.36 -4.74 115.22 114.91 2br6 n HIS 235 Ca -0.07 -3.18 -0.38 0.00 -0.26 0.00 0.00 57.72 53.83 2br6 n HIS 235 Cb 0.51 0.29 -0.11 0.00 1.12 0.00 0.00 29.99 31.80 2br6 n HIS 235 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2br6 s ASP 236 N -1.90 5.34 0.51 0.41 -1.08 -1.09 -4.56 116.67 114.29 2br6 s ASP 236 Ca 0.34 -1.60 0.30 0.00 -0.52 0.00 0.00 52.55 51.07 2br6 s ASP 236 Cb 0.30 -1.87 1.17 0.00 -1.46 0.00 0.00 42.92 41.06 2br6 s ASP 236 CO -0.09 -0.47 1.91 0.16 0.52 0.00 0.00 175.17 177.21 2br6 h ILE 237 N 6.25 0.18 -0.02 4.11 -2.65 -1.92 -1.22 117.51 122.25 2br6 h ILE 237 Ca -0.19 -0.73 -0.23 0.00 1.03 0.00 0.00 64.86 64.74 2br6 h ILE 237 Cb 1.07 1.62 0.01 0.00 -2.05 0.00 0.00 36.82 37.46 2br6 h ILE 237 CO 0.68 0.07 -0.93 -0.08 0.03 0.00 0.00 178.15 177.92 2br6 h GLU 238 N 0.00 0.50 0.00 0.16 4.81 -1.99 -3.30 114.58 114.76 2br6 h GLU 238 Ca -0.00 -0.51 -0.17 0.00 -0.13 0.00 0.00 59.36 58.54 2br6 h GLU 238 Cb 0.61 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 2br6 h GLU 238 CO 0.01 1.15 -1.07 0.37 -0.73 0.00 0.00 179.01 178.74 2br6 h GLN 239 N 0.29 0.00 -0.70 1.92 4.15 -1.95 -3.41 115.11 115.41 2br6 h GLN 239 Ca -0.08 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.43 2br6 h GLN 239 Cb 1.56 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 29.14 2br6 h GLN 239 CO 0.17 0.54 -0.47 1.49 -1.93 0.00 0.00 178.83 178.63 2br6 h GLU 240 N 0.00 -0.16 0.00 1.69 4.81 -1.30 -2.83 114.58 116.78 2br6 h GLU 240 Ca -0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2br6 h GLU 240 Cb 1.62 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.04 2br6 h GLU 240 CO 0.07 -0.11 -0.11 1.63 -0.73 0.00 0.00 179.01 179.77 2br6 n LYS 241 N -5.38 0.03 0.00 1.92 4.76 -1.26 -2.68 118.16 115.54 2br6 n LYS 241 Ca 0.03 0.02 0.12 0.00 -2.87 0.00 0.00 58.31 55.61 2br6 n LYS 241 Cb 0.34 -1.53 0.26 0.00 -1.84 0.00 0.00 35.03 32.26 2br6 n LYS 241 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2br6 n SER 242 N -1.58 1.01 -4.74 4.39 3.41 -1.07 -4.88 113.62 110.16 2br6 n SER 242 Ca 0.07 -0.81 -0.41 0.00 -0.26 0.00 0.00 58.87 57.45 2br6 n SER 242 Cb 0.35 0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 2br6 n SER 242 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2br6 s ARG 244 N -0.26 4.32 0.25 0.00 0.52 -1.26 -5.02 118.95 117.50 2br6 s ARG 244 Ca 0.55 2.08 0.10 0.00 -0.52 0.00 0.00 55.73 57.94 2br6 s ARG 244 Cb -0.35 -3.25 -0.05 0.00 0.52 0.00 0.00 34.95 31.82 2br6 s ARG 244 CO 0.39 -0.44 -0.16 0.14 0.02 0.00 0.00 175.30 175.24 2br6 s VAL 245 N 1.12 2.08 0.14 3.52 -7.23 -1.26 -4.42 120.40 114.34 2br6 s VAL 245 Ca 0.65 -2.29 -0.34 0.00 -1.81 0.00 0.00 61.98 58.19 2br6 s VAL 245 Cb -0.37 -2.20 -0.17 0.00 0.56 0.00 0.00 36.38 34.20 2br6 s VAL 245 CO 0.30 -0.48 1.06 0.33 -0.31 0.00 0.00 175.10 176.01 2br6 n PHE 246 N -0.51 0.93 1.68 2.82 7.35 0.27 -0.73 117.46 129.26 2br6 n PHE 246 Ca -0.06 0.79 0.12 0.00 -0.76 0.00 0.00 57.45 57.54 2br6 n PHE 246 Cb 0.60 -2.20 0.59 0.00 0.35 0.00 0.00 39.48 38.82 2br6 n PHE 246 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2br6 n PRO 247 N 1.64 1.34 -1.65 -7.13 -0.04 -1.26 -5.00 135.00 122.90 2br6 n PRO 247 Ca 0.17 -0.51 -0.31 0.00 -0.04 0.00 0.00 63.50 62.81 2br6 n PRO 247 Cb 0.21 -1.41 0.05 0.00 -0.04 0.00 0.00 33.50 32.31 2br6 n PRO 247 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2br6 s GLU 248 N -1.94 2.94 0.17 0.54 2.02 0.09 -5.09 118.70 117.43 2br6 s GLU 248 Ca 0.36 0.84 -0.02 0.00 0.02 0.00 0.00 54.97 56.16 2br6 s GLU 248 Cb 0.18 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.37 2br6 s GLU 248 CO 0.29 -1.07 0.13 1.52 0.02 0.00 0.00 175.26 176.15 2br6 s TYR 249 N -3.11 0.91 0.00 1.61 -0.85 -1.26 -4.42 117.35 110.22 2br6 s TYR 249 Ca 0.58 -1.22 0.00 0.00 -0.52 0.00 0.00 57.07 55.91 2br6 s TYR 249 Cb -0.13 -0.43 0.00 0.00 0.38 0.00 0.00 41.96 41.77 2br6 s TYR 249 CO 0.54 -0.61 0.34 0.44 -1.52 0.00 0.00 175.55 174.74