#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brl s MET 2 N 0.00 4.48 0.54 4.33 1.00 -1.26 -2.26 119.30 126.13 2brl s MET 2 Ca 0.00 1.07 0.29 0.00 0.00 0.00 0.00 55.69 57.05 2brl s MET 2 Cb 0.00 -3.45 1.46 0.00 0.00 0.00 0.00 34.83 32.84 2brl s MET 2 CO 0.00 0.04 1.93 0.66 0.00 0.00 0.00 175.02 177.65 2brl h SER 3 N 6.70 0.00 -5.05 3.03 4.64 -1.24 -3.39 113.55 118.23 2brl h SER 3 Ca -0.41 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.84 2brl h SER 3 Cb 1.21 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 2brl h SER 3 CO 0.75 0.00 -0.08 -0.31 -0.87 0.00 0.00 176.83 176.32 2brl s TYR 4 N -4.94 -0.25 0.01 4.77 1.51 -1.26 -2.02 117.35 115.17 2brl s TYR 4 Ca -0.05 0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 2brl s TYR 4 Cb 0.20 0.24 -0.01 0.00 -0.11 0.00 0.00 41.96 42.28 2brl s TYR 4 CO 0.73 -0.63 -0.13 0.99 -1.11 0.00 0.00 175.55 175.40 2brl s THR 5 N -3.06 1.03 0.10 -0.71 2.01 -0.39 -4.84 115.64 109.79 2brl s THR 5 Ca -0.02 -0.74 0.10 0.00 0.31 0.00 0.00 61.69 61.35 2brl s THR 5 Cb 0.00 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 2brl s THR 5 CO -0.07 0.15 -0.26 0.26 -0.69 0.00 0.00 174.62 174.01 2brl s TRP 6 N -0.55 2.28 -0.12 4.92 0.52 -1.26 -1.28 118.94 123.45 2brl s TRP 6 Ca 0.03 -0.39 -0.01 0.00 0.02 0.00 0.00 56.10 55.75 2brl s TRP 6 Cb -0.06 -1.27 -0.25 0.00 -1.15 0.00 0.00 33.47 30.74 2brl s TRP 6 CO 0.00 0.27 0.35 0.25 0.02 0.00 0.00 176.95 177.85 2brl n THR 7 N 1.16 1.71 0.00 2.01 -2.24 -0.79 -4.91 114.28 111.22 2brl n THR 7 Ca -0.18 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2brl n THR 7 Cb 0.53 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 2brl n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2brl n GLY 8 N 1.93 1.55 3.76 3.38 0.00 -1.26 -5.08 105.19 109.46 2brl n GLY 8 Ca -0.30 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 2brl n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2brl s ALA 9 N -0.09 3.05 0.54 4.61 0.00 -1.26 -4.97 121.76 123.63 2brl s ALA 9 Ca 0.00 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 2brl s ALA 9 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2brl s ALA 9 CO 0.00 -0.97 0.94 -0.51 0.00 0.00 0.00 175.76 175.22 2brl s LEU 10 N -2.94 3.49 -0.37 0.00 1.43 -1.26 -4.80 118.68 114.24 2brl s LEU 10 Ca 0.63 1.35 -0.25 0.00 -1.03 0.00 0.00 54.13 54.83 2brl s LEU 10 Cb -0.37 -4.32 0.01 0.00 0.03 0.00 0.00 46.19 41.54 2brl s LEU 10 CO 0.45 -0.68 0.86 -0.63 0.23 0.00 0.00 176.35 176.59 2brl s ILE 11 N -2.84 4.65 0.22 -0.59 1.01 -1.26 -4.81 121.20 117.58 2brl s ILE 11 Ca 0.54 1.03 0.07 0.00 0.00 0.00 0.00 60.65 62.30 2brl s ILE 11 Cb -0.10 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2brl s ILE 11 CO 0.43 -0.50 0.12 0.42 0.00 0.00 0.00 174.94 175.42 2brl s THR 12 N 3.30 4.21 0.63 2.92 -4.23 -1.26 -4.83 115.64 116.39 2brl s THR 12 Ca 0.35 -1.40 -0.11 0.00 -1.18 0.00 0.00 61.69 59.35 2brl s THR 12 Cb -0.12 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.47 2brl s THR 12 CO 0.18 -0.26 1.04 -2.16 -0.54 0.00 0.00 174.62 172.88 2brl s PRO 13 N -3.50 3.43 -0.00 3.99 0.04 -1.26 -4.45 135.00 133.25 2brl s PRO 13 Ca 0.31 0.66 0.12 0.00 0.04 0.00 0.00 61.00 62.14 2brl s PRO 13 Cb -0.08 -2.08 -0.13 0.00 0.04 0.00 0.00 34.50 32.24 2brl s PRO 13 CO 0.23 -0.66 0.52 0.00 0.04 0.00 0.00 177.00 177.13 2brl n ALA 15 N -1.30 -0.05 -2.31 0.00 0.00 -1.26 -5.11 120.51 110.49 2brl n ALA 15 Ca 0.02 -0.85 -0.43 0.00 0.00 0.00 0.00 53.44 52.19 2brl n ALA 15 Cb 0.19 0.69 -0.02 0.00 0.00 0.00 0.00 19.45 20.31 2brl n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2brl s ALA 16 N -2.29 2.97 0.71 0.00 0.00 -1.26 -5.02 121.76 116.87 2brl s ALA 16 Ca 0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 2brl s ALA 16 Cb -0.00 -3.98 0.10 0.00 0.00 0.00 0.00 23.12 19.23 2brl s ALA 16 CO 0.11 -2.53 1.00 -1.21 0.00 0.00 0.00 175.76 173.12 2brl s GLU 17 N 5.15 1.89 -0.28 0.00 2.02 -1.26 -5.12 118.70 121.09 2brl s GLU 17 Ca 0.62 -0.69 -0.06 0.00 0.02 0.00 0.00 54.97 54.86 2brl s GLU 17 Cb -0.14 -2.25 0.14 0.00 0.10 0.00 0.00 34.13 31.98 2brl s GLU 17 CO 0.32 -1.35 0.59 -1.21 0.02 0.00 0.00 175.26 173.62 2brl s GLU 18 N -5.19 0.53 0.00 1.61 8.01 -1.26 -5.06 118.70 117.34 2brl s GLU 18 Ca 0.63 1.21 0.23 0.00 0.01 0.00 0.00 54.97 57.05 2brl s GLU 18 Cb -0.08 0.63 0.61 0.00 -4.31 0.00 0.00 34.13 30.97 2brl s GLU 18 CO 0.44 -0.37 1.52 0.45 0.01 0.00 0.00 175.26 177.31 2brl n SER 19 N 5.43 3.85 -3.29 -0.19 2.88 -1.26 -4.43 113.62 116.61 2brl n SER 19 Ca -0.08 -2.00 -0.06 0.00 -1.33 0.00 0.00 58.87 55.40 2brl n SER 19 Cb 0.50 -0.44 0.01 0.00 -0.75 0.00 0.00 64.21 63.52 2brl n SER 19 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2brl s LYS 20 N -1.11 1.80 -0.18 -1.46 3.01 -1.26 -3.30 119.74 117.23 2brl s LYS 20 Ca 0.47 -1.12 -0.21 0.00 -1.01 0.00 0.00 55.97 54.11 2brl s LYS 20 Cb 0.25 0.53 -0.18 0.00 -1.01 0.00 0.00 37.83 37.42 2brl s LYS 20 CO 0.33 -0.84 0.28 -0.07 0.51 0.00 0.00 175.35 175.56 2brl h LEU 21 N 2.00 0.00 0.00 3.17 -0.00 -1.98 -3.48 115.31 115.02 2brl h LEU 21 Ca -0.28 -0.52 0.00 0.00 -0.00 0.00 0.00 57.88 57.08 2brl h LEU 21 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 2brl h LEU 21 CO 0.35 1.24 0.00 0.23 -0.00 0.00 0.00 178.44 180.25 2brl n MET 36 N -4.51 0.00 -3.17 1.13 2.81 -1.26 -5.19 117.12 106.93 2brl n MET 36 Ca -0.22 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.27 2brl n MET 36 Cb 0.55 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.00 2brl n MET 36 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2brl s VAL 37 N 0.00 5.09 0.44 2.03 -7.23 -1.26 -2.31 120.40 117.16 2brl s VAL 37 Ca 0.00 1.17 0.03 0.00 -1.81 0.00 0.00 61.98 61.37 2brl s VAL 37 Cb 0.00 -3.92 -0.03 0.00 0.56 0.00 0.00 36.38 32.99 2brl s VAL 37 CO 0.00 0.23 0.05 -0.72 -0.31 0.00 0.00 175.10 174.35 2brl s TYR 38 N 1.16 1.95 0.06 2.82 -0.85 -1.17 -4.73 117.35 116.58 2brl s TYR 38 Ca 0.30 -1.02 0.06 0.00 -0.52 0.00 0.00 57.07 55.89 2brl s TYR 38 Cb -0.16 -1.45 -0.03 0.00 0.38 0.00 0.00 41.96 40.70 2brl s TYR 38 CO 0.12 0.07 -0.17 0.00 -1.52 0.00 0.00 175.55 174.05 2brl s ALA 39 N -3.01 1.46 0.53 9.51 0.00 -1.21 -1.26 121.76 127.78 2brl s ALA 39 Ca 0.19 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.96 2brl s ALA 39 Cb 0.04 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 2brl s ALA 39 CO 0.10 0.29 1.09 0.95 0.00 0.00 0.00 175.76 178.19 2brl s THR 40 N -0.95 3.45 0.21 0.00 -4.23 -0.68 -4.56 115.64 108.88 2brl s THR 40 Ca 0.04 0.88 -0.03 0.00 -1.18 0.00 0.00 61.69 61.40 2brl s THR 40 Cb -0.09 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.37 2brl s THR 40 CO 0.02 -0.22 0.20 0.42 -0.54 0.00 0.00 174.62 174.50 2brl s THR 41 N -1.91 0.00 0.57 3.99 -4.23 -1.26 -4.20 115.64 108.59 2brl s THR 41 Ca 0.70 -1.89 0.26 0.00 -1.18 0.00 0.00 61.69 59.58 2brl s THR 41 Cb -0.20 -2.45 0.35 0.00 1.34 0.00 0.00 72.50 71.54 2brl s THR 41 CO 0.25 0.00 2.12 0.77 -0.54 0.00 0.00 174.62 177.22 2brl h SER 42 N 2.54 0.00 -0.54 3.99 4.64 -1.88 -2.26 113.55 120.04 2brl h SER 42 Ca -0.34 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.12 2brl h SER 42 Cb 1.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2brl h SER 42 CO 0.49 0.00 0.38 0.03 -0.87 0.00 0.00 176.83 176.86 2brl h ARG 43 N 0.00 0.11 -0.15 4.77 3.08 -1.96 -1.83 114.38 118.40 2brl h ARG 43 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2brl h ARG 43 Cb 0.41 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2brl h ARG 43 CO -0.00 0.07 0.00 -1.13 -1.07 0.00 0.00 179.97 177.84 2brl n SER 44 N -4.41 2.65 0.04 7.04 3.41 -0.85 -4.53 113.62 116.97 2brl n SER 44 Ca 0.10 -1.86 0.04 0.00 -0.26 0.00 0.00 58.87 56.88 2brl n SER 44 Cb 0.53 -0.09 0.43 0.00 -0.26 0.00 0.00 64.21 64.82 2brl n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2brl h ALA 45 N 4.49 1.67 -0.90 7.33 0.00 -1.42 -1.39 119.26 129.03 2brl h ALA 45 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2brl h ALA 45 Cb 0.82 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2brl h ALA 45 CO 0.00 0.27 0.59 0.78 0.00 0.00 0.00 179.25 180.90 2brl h GLY 46 N 0.55 1.30 0.99 0.00 0.00 -1.80 -0.03 103.07 104.10 2brl h GLY 46 Ca 0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 2brl h GLY 46 CO -0.02 0.36 0.15 1.41 0.00 0.00 0.00 176.54 178.44 2brl h LEU 47 N 1.10 0.81 -0.64 3.11 3.38 -1.59 -2.53 115.31 118.95 2brl h LEU 47 Ca 0.37 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2brl h LEU 47 Cb 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2brl h LEU 47 CO -0.12 0.82 0.33 -0.09 0.09 0.00 0.00 178.44 179.47 2brl h ARG 48 N 0.76 0.91 -0.83 1.13 9.65 -1.38 -2.89 114.38 121.72 2brl h ARG 48 Ca 0.17 -0.12 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 2brl h ARG 48 Cb 0.31 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 2brl h ARG 48 CO -0.00 0.71 0.55 1.96 2.80 0.00 0.00 179.97 185.98 2brl h GLN 49 N 0.87 1.02 -0.11 0.20 4.20 -0.85 -1.92 115.11 118.52 2brl h GLN 49 Ca 0.22 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2brl h GLN 49 Cb 0.08 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 2brl h GLN 49 CO -0.03 0.67 0.04 -0.22 -0.67 0.00 0.00 178.83 178.63 2brl h LYS 50 N 1.05 0.16 -0.46 1.46 3.11 -1.27 -2.69 116.57 117.94 2brl h LYS 50 Ca 0.33 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 58.07 2brl h LYS 50 Cb 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.19 2brl h LYS 50 CO -0.09 0.26 0.04 -0.22 -2.81 0.00 0.00 179.45 176.63 2brl h LYS 51 N 0.02 0.78 -0.00 1.90 3.64 -1.23 -3.02 116.57 118.66 2brl h LYS 51 Ca 0.04 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2brl h LYS 51 Cb 0.16 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2brl h LYS 51 CO -0.00 0.82 -0.01 1.33 -2.27 0.00 0.00 179.45 179.32 2brl n VAL 52 N -4.42 0.00 -3.50 2.00 0.24 -0.77 -4.75 118.33 107.13 2brl n VAL 52 Ca 0.00 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.34 61.88 2brl n VAL 52 Cb 0.28 -0.44 -0.10 0.00 -1.47 0.00 0.00 33.84 32.10 2brl n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2brl s THR 53 N -2.28 5.28 0.09 3.34 2.01 -1.02 -4.71 115.64 118.35 2brl s THR 53 Ca 0.38 -0.40 -0.27 0.00 0.31 0.00 0.00 61.69 61.72 2brl s THR 53 Cb 0.21 -3.80 0.08 0.00 0.01 0.00 0.00 72.50 69.00 2brl s THR 53 CO 0.42 -0.13 0.97 0.72 -0.69 0.00 0.00 174.62 175.90 2brl s PHE 54 N 1.71 -0.19 -0.10 4.92 -0.12 -1.26 -4.98 117.98 117.95 2brl s PHE 54 Ca 0.06 -0.05 -0.19 0.00 -0.05 0.00 0.00 56.93 56.70 2brl s PHE 54 Cb -0.18 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 2brl s PHE 54 CO 0.10 -0.69 0.51 0.34 -0.05 0.00 0.00 175.22 175.43 2brl s ASP 55 N -2.79 6.74 -0.01 1.98 3.68 -1.26 -0.76 116.67 124.25 2brl s ASP 55 Ca 0.10 0.88 -0.14 0.00 2.13 0.00 0.00 52.55 55.53 2brl s ASP 55 Cb -0.01 -2.30 -0.05 0.00 -1.45 0.00 0.00 42.92 39.10 2brl s ASP 55 CO -0.02 0.00 0.37 -0.13 0.13 0.00 0.00 175.17 175.53 2brl s ARG 56 N 0.55 3.85 -0.08 4.34 3.00 -0.96 -4.94 118.95 124.71 2brl s ARG 56 Ca 0.28 0.33 0.05 0.00 0.00 0.00 0.00 55.73 56.39 2brl s ARG 56 Cb -0.16 -3.21 -0.00 0.00 0.00 0.00 0.00 34.95 31.58 2brl s ARG 56 CO 0.12 0.70 -0.24 -1.17 0.00 0.00 0.00 175.30 174.70 2brl s LEU 57 N -1.11 2.07 -0.03 2.53 2.96 -1.26 -3.93 118.68 119.90 2brl s LEU 57 Ca 0.23 -0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 2brl s LEU 57 Cb -0.16 -1.37 0.03 0.00 0.50 0.00 0.00 46.19 45.19 2brl s LEU 57 CO 0.12 0.19 0.02 -1.58 -1.32 0.00 0.00 176.35 173.79 2brl s GLN 58 N 0.11 0.19 -0.22 1.98 0.74 -1.26 -3.95 119.66 117.26 2brl s GLN 58 Ca -0.12 0.15 0.00 0.00 0.05 0.00 0.00 55.36 55.45 2brl s GLN 58 Cb -0.16 -0.47 0.05 0.00 1.10 0.00 0.00 33.01 33.53 2brl s GLN 58 CO 0.06 -0.19 -0.05 0.08 -0.55 0.00 0.00 175.29 174.64 2brl s VAL 59 N 1.28 1.41 0.49 1.34 1.01 -0.60 -5.03 120.40 120.31 2brl s VAL 59 Ca -0.06 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 2brl s VAL 59 Cb -0.13 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2brl s VAL 59 CO -0.02 -0.03 0.81 -0.76 0.00 0.00 0.00 175.10 175.10 2brl s LEU 60 N 1.46 3.60 0.00 3.92 1.43 -1.26 -4.50 118.68 123.33 2brl s LEU 60 Ca -0.04 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.09 2brl s LEU 60 Cb -0.18 -3.97 -0.01 0.00 0.03 0.00 0.00 46.19 42.07 2brl s LEU 60 CO -0.07 -0.60 0.08 -0.90 0.23 0.00 0.00 176.35 175.09 2brl n ASP 61 N -2.24 -0.19 0.16 2.29 5.68 -1.26 -5.06 116.55 115.92 2brl n ASP 61 Ca 0.01 -1.57 0.04 0.00 -0.50 0.00 0.00 54.79 52.77 2brl n ASP 61 Cb 0.55 0.44 0.15 0.00 -1.14 0.00 0.00 41.12 41.13 2brl n ASP 61 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2brl h ASP 62 N 0.53 0.00 0.41 -1.12 3.32 -1.98 -2.42 116.42 115.16 2brl h ASP 62 Ca -0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2brl h ASP 62 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2brl h ASP 62 CO 0.09 0.47 -0.35 0.45 -1.72 0.00 0.00 179.24 178.17 2brl h HIS 63 N 0.00 -0.97 -0.96 4.55 3.86 -1.97 0.10 115.15 119.75 2brl h HIS 63 Ca -0.00 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 2brl h HIS 63 Cb 1.20 0.37 -0.15 0.00 1.06 0.00 0.00 27.41 29.89 2brl h HIS 63 CO 0.00 -0.49 -0.39 0.98 0.86 0.00 0.00 177.93 178.89 2brl n TYR 64 N -4.56 -0.00 -0.31 2.45 9.36 -1.19 -1.46 117.16 121.45 2brl n TYR 64 Ca -0.09 1.19 -0.05 0.00 3.32 0.00 0.00 57.90 62.27 2brl n TYR 64 Cb 0.33 -0.84 0.07 0.00 -0.63 0.00 0.00 39.34 38.28 2brl n TYR 64 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2brl h ARG 65 N 0.00 1.20 -0.56 2.98 3.08 -1.28 -1.51 114.38 118.29 2brl h ARG 65 Ca 0.32 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 2brl h ARG 65 Cb 0.56 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2brl h ARG 65 CO -0.95 0.92 -0.02 -0.44 -1.07 0.00 0.00 179.97 178.42 2brl h ASP 66 N 1.19 0.95 -0.07 7.04 3.32 -0.07 -1.93 116.42 126.85 2brl h ASP 66 Ca 0.29 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2brl h ASP 66 Cb 0.12 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2brl h ASP 66 CO -0.04 1.02 -0.02 0.58 -1.72 0.00 0.00 179.24 179.07 2brl h VAL 67 N 0.89 1.29 -0.64 -1.35 2.07 -1.00 -2.65 116.25 114.87 2brl h VAL 67 Ca 0.16 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.84 2brl h VAL 67 Cb 0.54 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 2brl h VAL 67 CO 0.03 0.25 0.30 0.25 0.02 0.00 0.00 177.57 178.43 2brl h LEU 68 N -0.20 0.39 -0.62 2.57 5.85 -1.24 -1.35 115.31 120.70 2brl h LEU 68 Ca 0.02 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2brl h LEU 68 Cb 0.41 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 2brl h LEU 68 CO 0.01 0.24 0.32 0.11 -0.34 0.00 0.00 178.44 178.77 2brl h LYS 69 N 0.54 0.57 -0.35 1.25 1.57 -1.21 -1.19 116.57 117.75 2brl h LYS 69 Ca 0.31 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 2brl h LYS 69 Cb 0.31 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2brl h LYS 69 CO -0.25 0.38 -0.06 0.93 -0.57 0.00 0.00 179.45 179.88 2brl h GLU 70 N 0.59 0.58 -0.32 3.15 5.08 -1.03 -2.28 114.58 120.34 2brl h GLU 70 Ca 0.29 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2brl h GLU 70 Cb 0.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2brl h GLU 70 CO -0.21 0.64 0.07 0.52 -1.00 0.00 0.00 179.01 179.03 2brl h MET 71 N 0.54 0.52 -0.65 2.33 2.86 -0.24 -2.85 114.93 117.44 2brl h MET 71 Ca 0.11 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2brl h MET 71 Cb 0.44 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2brl h MET 71 CO 0.02 0.60 0.43 0.87 1.06 0.00 0.00 176.91 179.89 2brl h LYS 72 N 0.36 0.86 -0.26 1.72 1.57 -1.15 -0.39 116.57 119.28 2brl h LYS 72 Ca 0.10 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 2brl h LYS 72 Cb 0.32 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2brl h LYS 72 CO 0.00 0.57 -0.35 0.00 -0.57 0.00 0.00 179.45 179.11 2brl h ALA 73 N 1.59 0.92 -0.09 3.86 0.00 -1.30 -0.57 119.26 123.67 2brl h ALA 73 Ca 0.24 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2brl h ALA 73 Cb -0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2brl h ALA 73 CO -0.05 0.62 -0.06 0.87 0.00 0.00 0.00 179.25 180.63 2brl h LYS 74 N 0.47 0.21 0.00 0.00 1.57 -1.22 -3.21 116.57 114.39 2brl h LYS 74 Ca 0.05 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2brl h LYS 74 Cb 0.83 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2brl h LYS 74 CO 0.07 0.60 -0.08 0.00 -0.57 0.00 0.00 179.45 179.47 2brl h ALA 75 N 0.61 1.42 0.00 3.86 0.00 -0.83 -1.00 119.26 123.32 2brl h ALA 75 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2brl h ALA 75 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2brl h ALA 75 CO 0.02 0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.03 2brl h SER 76 N 0.00 0.00 -0.01 0.00 4.64 -1.10 -2.03 113.55 115.05 2brl h SER 76 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2brl h SER 76 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2brl h SER 76 CO 0.01 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.32 2brl n THR 77 N -2.67 0.00 -3.52 2.95 -2.24 -0.38 -4.66 114.28 103.78 2brl n THR 77 Ca 0.00 -0.17 -0.37 0.00 -2.27 0.00 0.00 64.05 61.25 2brl n THR 77 Cb 0.21 0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.53 2brl n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2brl s VAL 78 N -2.00 5.27 -0.12 2.28 1.01 -0.77 -5.01 120.40 121.08 2brl s VAL 78 Ca 0.41 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 2brl s VAL 78 Cb 0.21 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 2brl s VAL 78 CO 0.34 0.40 -0.08 -0.75 0.00 0.00 0.00 175.10 175.02 2brl s LYS 79 N 0.31 3.25 0.01 2.72 2.20 -1.26 -0.76 119.74 126.22 2brl s LYS 79 Ca 0.18 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.22 2brl s LYS 79 Cb -0.14 -2.71 -0.01 0.00 -1.51 0.00 0.00 37.83 33.46 2brl s LYS 79 CO 0.05 0.39 -0.04 0.00 -0.36 0.00 0.00 175.35 175.39 2brl s ALA 80 N -0.06 0.32 0.31 3.13 0.00 -0.81 -4.95 121.76 119.70 2brl s ALA 80 Ca -0.00 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 51.65 2brl s ALA 80 Cb -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2brl s ALA 80 CO 0.03 0.00 0.20 -1.59 0.00 0.00 0.00 175.76 174.40 2brl s LYS 81 N -0.72 2.64 0.14 0.00 -2.85 -1.26 -4.27 119.74 113.42 2brl s LYS 81 Ca -0.05 -1.32 -0.30 0.00 -1.00 0.00 0.00 55.97 53.30 2brl s LYS 81 Cb -0.05 -2.39 -0.07 0.00 -2.06 0.00 0.00 37.83 33.26 2brl s LYS 81 CO -0.00 0.20 1.11 -0.51 0.10 0.00 0.00 175.35 176.24 2brl s LEU 82 N -3.89 4.46 0.38 2.77 1.43 -1.26 -4.50 118.68 118.06 2brl s LEU 82 Ca 0.37 2.04 -0.26 0.00 -1.03 0.00 0.00 54.13 55.26 2brl s LEU 82 Cb -0.05 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 2brl s LEU 82 CO 0.24 -0.27 1.13 -0.76 0.23 0.00 0.00 176.35 176.92 2brl s LEU 83 N 0.01 4.24 0.85 1.79 1.02 -0.69 -5.06 118.68 120.84 2brl s LEU 83 Ca 0.51 2.25 -0.11 0.00 0.02 0.00 0.00 54.13 56.80 2brl s LEU 83 Cb -0.29 -4.00 0.10 0.00 0.02 0.00 0.00 46.19 42.02 2brl s LEU 83 CO 0.33 -0.54 1.09 -0.94 0.02 0.00 0.00 176.35 176.32 2brl s SER 84 N -1.21 3.90 0.26 2.29 1.04 -1.26 -4.67 113.70 114.05 2brl s SER 84 Ca 0.55 1.53 -0.01 0.00 0.48 0.00 0.00 55.95 58.51 2brl s SER 84 Cb -0.29 -2.23 0.55 0.00 0.10 0.00 0.00 66.02 64.16 2brl s SER 84 CO 0.36 -2.37 1.75 0.58 0.98 0.00 0.00 173.24 174.54 2brl h VAL 85 N -1.37 0.69 -0.12 5.02 2.07 -1.97 -2.01 116.25 118.56 2brl h VAL 85 Ca -0.48 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2brl h VAL 85 Cb 1.27 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2brl h VAL 85 CO 0.55 0.11 0.07 -0.33 0.02 0.00 0.00 177.57 177.98 2brl h GLU 86 N 0.58 0.17 -0.27 1.57 3.07 -1.99 -0.00 114.58 117.70 2brl h GLU 86 Ca 0.47 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.31 2brl h GLU 86 Cb 0.70 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 2brl h GLU 86 CO -0.39 0.19 0.16 0.93 -1.40 0.00 0.00 179.01 178.50 2brl h GLU 87 N 0.10 0.36 -0.60 2.33 5.08 -1.85 -1.60 114.58 118.39 2brl h GLU 87 Ca 0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2brl h GLU 87 Cb 0.07 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2brl h GLU 87 CO -0.01 0.29 0.30 0.00 -1.00 0.00 0.00 179.01 178.59 2brl h ALA 88 N 1.05 1.39 -0.62 3.43 0.00 -1.12 -1.96 119.26 121.43 2brl h ALA 88 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2brl h ALA 88 Cb 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2brl h ALA 88 CO -0.02 0.49 0.21 0.00 0.00 0.00 0.00 179.25 179.93 2brl h LYS 90 N 0.90 0.00 -0.35 0.00 1.57 -0.56 -2.86 116.57 115.27 2brl h LYS 90 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2brl h LYS 90 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2brl h LYS 90 CO -0.01 0.27 0.00 1.28 -0.57 0.00 0.00 179.45 180.42 2brl n LEU 91 N -3.22 2.93 -4.71 2.94 4.77 -0.92 -4.89 117.00 113.89 2brl n LEU 91 Ca 0.02 -1.27 -0.42 0.00 -0.03 0.00 0.00 56.01 54.31 2brl n LEU 91 Cb 0.58 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 2brl n LEU 91 CO 0.36 0.64 1.07 -0.89 -1.33 0.00 0.00 177.39 177.24 2brl s THR 92 N -1.55 3.32 0.34 -5.08 2.01 -1.00 -4.98 115.64 108.70 2brl s THR 92 Ca 0.37 0.94 -0.29 0.00 0.31 0.00 0.00 61.69 63.02 2brl s THR 92 Cb 0.21 -3.60 -0.11 0.00 0.01 0.00 0.00 72.50 69.01 2brl s THR 92 CO 0.30 0.07 1.51 -2.65 -0.69 0.00 0.00 174.62 173.15 2brl n PRO 93 N 4.03 2.62 0.28 4.92 -0.02 -1.26 -4.92 135.00 140.65 2brl n PRO 93 Ca 0.12 0.92 0.14 0.00 -2.02 0.00 0.00 63.50 62.66 2brl n PRO 93 Cb 0.42 -2.66 0.82 0.00 -0.02 0.00 0.00 33.50 32.06 2brl n PRO 93 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2brl h PRO 94 N 3.60 0.00 -0.29 0.52 0.13 -1.93 -3.08 132.00 130.95 2brl h PRO 94 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2brl h PRO 94 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2brl h PRO 94 CO 0.70 0.07 0.00 0.72 -0.23 0.00 0.00 178.00 179.26 2brl n HIS 95 N -3.62 1.01 -1.55 1.56 8.25 -1.26 -4.48 115.22 115.14 2brl n HIS 95 Ca -0.02 -0.85 -0.31 0.00 -0.26 0.00 0.00 57.72 56.28 2brl n HIS 95 Cb 0.19 -0.32 0.06 0.00 1.12 0.00 0.00 29.99 31.04 2brl n HIS 95 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2brl s SER 96 N -1.81 5.09 0.12 0.41 1.04 -1.17 -4.92 113.70 112.46 2brl s SER 96 Ca 0.42 1.54 -0.31 0.00 0.48 0.00 0.00 55.95 58.08 2brl s SER 96 Cb 0.34 -2.37 -0.10 0.00 0.10 0.00 0.00 66.02 63.99 2brl s SER 96 CO 0.10 -1.62 1.78 0.00 0.98 0.00 0.00 173.24 174.48 2brl s ALA 97 N -3.07 3.76 0.60 5.32 0.00 -1.26 -4.36 121.76 122.75 2brl s ALA 97 Ca 0.59 1.41 -0.18 0.00 0.00 0.00 0.00 51.96 53.78 2brl s ALA 97 Cb -0.14 -3.74 -0.07 0.00 0.00 0.00 0.00 23.12 19.16 2brl s ALA 97 CO 0.55 -1.17 0.60 0.36 0.00 0.00 0.00 175.76 176.10 2brl n LYS 98 N 5.52 0.54 -1.90 0.00 2.85 -1.26 -4.57 118.16 119.34 2brl n LYS 98 Ca 0.17 0.22 -0.32 0.00 -1.05 0.00 0.00 58.31 57.33 2brl n LYS 98 Cb 0.38 -1.80 0.02 0.00 -0.65 0.00 0.00 35.03 32.98 2brl n LYS 98 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2brl s SER 99 N -1.24 5.86 0.44 -5.58 0.15 0.06 -4.73 113.70 108.66 2brl s SER 99 Ca 0.70 1.63 0.17 0.00 0.70 0.00 0.00 55.95 59.14 2brl s SER 99 Cb -0.42 -2.50 0.99 0.00 -1.71 0.00 0.00 66.02 62.38 2brl s SER 99 CO 0.53 -1.11 1.94 0.11 1.20 0.00 0.00 173.24 175.91 2brl h LYS 100 N -0.04 0.00 -1.03 5.44 1.57 -1.94 -3.30 116.57 117.26 2brl h LYS 100 Ca -0.45 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.82 2brl h LYS 100 Cb 1.20 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.24 2brl h LYS 100 CO 0.59 0.24 0.65 1.19 -0.57 0.00 0.00 179.45 181.55 2brl n PHE 101 N -4.07 2.81 -0.10 -1.35 3.01 -1.26 -4.90 117.46 111.61 2brl n PHE 101 Ca -0.02 -2.03 0.00 0.00 1.01 0.00 0.00 57.45 56.41 2brl n PHE 101 Cb 0.31 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.76 2brl n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2brl n GLY 102 N -0.90 0.94 3.20 1.37 0.00 -1.24 -5.02 105.19 103.54 2brl n GLY 102 Ca 0.55 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 2brl n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2brl s TYR 103 N -2.00 0.08 0.51 1.61 -0.85 -1.26 -5.02 117.35 110.42 2brl s TYR 103 Ca 0.00 -0.39 0.02 0.00 -0.52 0.00 0.00 57.07 56.18 2brl s TYR 103 Cb 0.00 -0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.31 2brl s TYR 103 CO 0.00 -0.50 0.10 0.20 -1.52 0.00 0.00 175.55 173.83 2brl s GLY 104 N -2.48 2.84 0.33 5.49 0.00 -1.26 -0.76 107.32 111.48 2brl s GLY 104 Ca -0.00 -0.69 0.11 0.00 0.00 0.00 0.00 44.72 44.13 2brl s GLY 104 CO -0.08 -2.13 1.65 0.00 0.00 0.00 0.00 173.10 172.54 2brl h ALA 105 N 1.24 1.74 -0.32 3.20 0.00 -1.83 -0.66 119.26 122.62 2brl h ALA 105 Ca -0.42 0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2brl h ALA 105 Cb 1.31 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2brl h ALA 105 CO 0.71 -0.58 -0.34 -0.22 0.00 0.00 0.00 179.25 178.82 2brl h LYS 106 N 0.25 0.70 -0.19 0.00 3.64 -1.91 -1.81 116.57 117.24 2brl h LYS 106 Ca 0.69 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 2brl h LYS 106 Cb 1.54 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.35 2brl h LYS 106 CO -0.65 0.94 0.05 -0.44 -2.27 0.00 0.00 179.45 177.07 2brl h ASP 107 N 0.59 0.29 -0.37 4.20 3.32 -1.54 -2.30 116.42 120.61 2brl h ASP 107 Ca 0.06 -0.23 0.08 0.00 0.02 0.00 0.00 57.03 56.96 2brl h ASP 107 Cb 0.85 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 40.24 2brl h ASP 107 CO 0.07 0.44 -0.28 0.58 -1.72 0.00 0.00 179.24 178.34 2brl h VAL 108 N 0.13 0.30 0.00 -1.35 2.07 -1.32 -1.36 116.25 114.72 2brl h VAL 108 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 2brl h VAL 108 Cb 0.26 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2brl h VAL 108 CO 0.00 0.00 -0.23 0.03 0.02 0.00 0.00 177.57 177.39 2brl h ARG 109 N -0.22 0.00 -0.65 1.57 3.08 -1.28 -2.26 114.38 114.62 2brl h ARG 109 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2brl h ARG 109 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2brl h ARG 109 CO -0.50 0.23 0.00 0.09 -1.07 0.00 0.00 179.97 178.72 2brl n ASN 110 N -4.01 4.00 -3.54 7.04 4.13 -0.87 -4.75 115.26 117.25 2brl n ASN 110 Ca -0.02 -2.25 -0.19 0.00 1.68 0.00 0.00 54.58 53.80 2brl n ASN 110 Cb 0.31 -0.51 0.07 0.00 -1.54 0.00 0.00 39.78 38.11 2brl n ASN 110 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2brl n LEU 111 N 1.15 -3.66 -4.75 3.41 4.77 -0.82 -4.93 117.00 112.17 2brl n LEU 111 Ca 0.23 -0.69 -0.41 0.00 -0.03 0.00 0.00 56.01 55.10 2brl n LEU 111 Cb 0.71 -2.95 -0.03 0.00 -2.33 0.00 0.00 43.42 38.83 2brl n LEU 111 CO 0.19 0.40 0.97 -0.55 -1.33 0.00 0.00 177.39 177.07 2brl s SER 112 N -4.32 6.87 0.45 -1.43 0.15 -0.58 -4.88 113.70 109.97 2brl s SER 112 Ca 0.03 2.51 0.12 0.00 0.70 0.00 0.00 55.95 59.30 2brl s SER 112 Cb -0.01 -2.63 1.03 0.00 -1.71 0.00 0.00 66.02 62.70 2brl s SER 112 CO 0.76 -0.50 2.07 0.77 1.20 0.00 0.00 173.24 177.54 2brl h SER 113 N 4.50 0.30 -0.35 5.45 4.64 -1.91 -0.43 113.55 125.74 2brl h SER 113 Ca -0.46 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2brl h SER 113 Cb 1.22 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2brl h SER 113 CO 0.72 0.21 0.17 0.50 -0.87 0.00 0.00 176.83 177.56 2brl h LYS 114 N 0.35 0.50 -0.10 4.77 3.64 -1.96 -1.66 116.57 122.10 2brl h LYS 114 Ca 0.13 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2brl h LYS 114 Cb 0.11 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2brl h LYS 114 CO -0.03 0.45 -0.20 0.00 -2.27 0.00 0.00 179.45 177.40 2brl h ALA 115 N 1.02 0.16 -0.31 5.00 0.00 -1.75 -2.84 119.26 120.54 2brl h ALA 115 Ca 0.12 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2brl h ALA 115 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2brl h ALA 115 CO -0.02 0.10 0.19 0.28 0.00 0.00 0.00 179.25 179.81 2brl h VAL 116 N -0.12 1.05 -0.48 0.00 2.07 -1.10 -0.24 116.25 117.42 2brl h VAL 116 Ca 0.00 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 2brl h VAL 116 Cb 0.78 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2brl h VAL 116 CO 0.04 0.07 0.03 0.78 0.02 0.00 0.00 177.57 178.52 2brl h ASN 117 N 0.39 0.74 0.01 0.57 2.35 -1.39 -1.26 115.58 117.00 2brl h ASN 117 Ca 0.12 -0.17 -0.18 0.00 -0.55 0.00 0.00 56.30 55.52 2brl h ASN 117 Cb -0.02 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 2brl h ASN 117 CO -0.05 0.79 -0.64 -0.74 -1.65 0.00 0.00 177.43 175.14 2brl h HIS 118 N 0.74 0.79 -0.26 1.19 2.76 -1.28 -2.42 115.15 116.67 2brl h HIS 118 Ca 0.15 -0.31 -0.04 0.00 -2.20 0.00 0.00 60.37 57.97 2brl h HIS 118 Cb 0.41 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2brl h HIS 118 CO 0.02 1.09 0.01 0.82 -1.30 0.00 0.00 177.93 178.57 2brl h ILE 119 N 0.45 1.25 -0.93 6.26 2.04 -0.75 -0.11 117.51 125.71 2brl h ILE 119 Ca -0.01 -0.88 0.11 0.00 1.00 0.00 0.00 64.86 65.08 2brl h ILE 119 Cb 1.22 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 38.55 2brl h ILE 119 CO 0.12 0.28 0.59 0.45 0.00 0.00 0.00 178.15 179.60 2brl h HIS 120 N 0.24 0.99 -0.17 1.37 3.86 -1.26 -0.75 115.15 119.42 2brl h HIS 120 Ca 0.07 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.12 2brl h HIS 120 Cb 0.40 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2brl h HIS 120 CO 0.03 0.43 -0.66 0.66 0.86 0.00 0.00 177.93 179.25 2brl h SER 121 N 0.90 0.77 -0.76 2.45 4.64 -1.07 -1.90 113.55 118.58 2brl h SER 121 Ca 0.44 -0.46 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 2brl h SER 121 Cb 0.47 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 2brl h SER 121 CO -0.20 1.23 0.41 0.58 -0.87 0.00 0.00 176.83 177.97 2brl h VAL 122 N 0.48 1.23 0.15 0.95 2.07 -0.24 -2.22 116.25 118.67 2brl h VAL 122 Ca -0.02 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2brl h VAL 122 Cb 1.26 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2brl h VAL 122 CO 0.13 0.26 -0.07 -0.25 0.02 0.00 0.00 177.57 177.66 2brl h TRP 123 N 1.05 -0.18 -0.85 1.57 2.91 -1.00 -1.27 115.95 118.18 2brl h TRP 123 Ca 0.27 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.36 2brl h TRP 123 Cb 0.04 0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 28.69 2brl h TRP 123 CO 0.00 -0.09 0.52 -0.22 -1.03 0.00 0.00 178.44 177.62 2brl h LYS 124 N -0.22 0.88 -0.45 2.65 3.64 -1.35 -0.88 116.57 120.83 2brl h LYS 124 Ca -0.02 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2brl h LYS 124 Cb 0.17 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2brl h LYS 124 CO 0.03 0.58 0.11 0.22 -2.27 0.00 0.00 179.45 178.12 2brl h ASP 125 N 0.91 0.69 -0.93 4.20 3.58 -1.14 -1.31 116.42 122.42 2brl h ASP 125 Ca 0.39 -0.23 0.08 0.00 0.42 0.00 0.00 57.03 57.69 2brl h ASP 125 Cb 0.25 -0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.05 2brl h ASP 125 CO -0.20 0.75 0.58 -0.07 -2.88 0.00 0.00 179.24 177.41 2brl h LEU 126 N 0.61 0.88 -1.18 2.28 3.38 -0.67 0.25 115.31 120.86 2brl h LEU 126 Ca 0.14 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 2brl h LEU 126 Cb 0.33 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2brl h LEU 126 CO 0.00 0.53 -0.39 -0.07 0.09 0.00 0.00 178.44 178.60 2brl h LEU 127 N 0.99 0.05 0.00 1.67 3.38 -0.76 -3.32 115.31 117.32 2brl h LEU 127 Ca 0.43 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.20 2brl h LEU 127 Cb 0.29 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2brl h LEU 127 CO -0.21 0.43 -1.92 -0.62 0.09 0.00 0.00 178.44 176.21 2brl n GLU 128 N -4.07 0.66 -3.97 1.13 1.02 -0.53 -4.83 120.64 110.03 2brl n GLU 128 Ca -0.02 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.84 2brl n GLU 128 Cb 0.43 -1.62 -0.17 0.00 -0.02 0.00 0.00 31.44 30.06 2brl n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2brl s ASP 129 N -5.27 2.64 -0.23 1.62 2.15 0.84 -5.01 116.67 113.42 2brl s ASP 129 Ca -0.07 -0.49 0.14 0.00 0.43 0.00 0.00 52.55 52.55 2brl s ASP 129 Cb 0.09 -1.07 0.52 0.00 -0.30 0.00 0.00 42.92 42.17 2brl s ASP 129 CO 0.85 -0.09 1.45 0.35 -0.17 0.00 0.00 175.17 177.55 2brl n THR 130 N 4.82 2.41 0.00 1.71 -2.24 -1.26 -4.51 114.28 115.20 2brl n THR 130 Ca -0.15 -2.20 0.00 0.00 -2.27 0.00 0.00 64.05 59.43 2brl n THR 130 Cb 0.49 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2brl n THR 130 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2brl n VAL 131 N -0.78 0.00 -1.67 2.28 0.31 -1.26 -4.67 118.33 112.53 2brl n VAL 131 Ca 0.27 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.17 2brl n VAL 131 Cb 0.97 -0.56 -0.03 0.00 -0.91 0.00 0.00 33.84 33.30 2brl n VAL 131 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2brl s THR 132 N -1.76 3.06 0.44 2.52 2.01 -1.26 -4.64 115.64 116.00 2brl s THR 132 Ca 0.00 0.07 -0.22 0.00 0.31 0.00 0.00 61.69 61.85 2brl s THR 132 Cb 0.00 -3.06 -0.12 0.00 0.01 0.00 0.00 72.50 69.33 2brl s THR 132 CO 0.00 -0.03 0.57 -2.65 -0.69 0.00 0.00 174.62 171.83 2brl n PRO 133 N 8.15 0.62 -4.44 4.92 -0.02 -1.26 -4.77 135.00 138.20 2brl n PRO 133 Ca 0.25 0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 2brl n PRO 133 Cb 0.43 -1.56 -0.10 0.00 -0.02 0.00 0.00 33.50 32.25 2brl n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2brl s ILE 134 N -1.49 4.11 0.34 4.25 1.01 -0.25 -4.96 121.20 124.22 2brl s ILE 134 Ca 0.64 -0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.66 2brl s ILE 134 Cb -0.58 -2.72 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 2brl s ILE 134 CO 0.58 0.58 1.16 -0.62 0.00 0.00 0.00 174.94 176.63 2brl s ASP 135 N -0.93 6.87 0.06 3.58 2.15 -1.26 -4.16 116.67 122.98 2brl s ASP 135 Ca 0.14 2.35 0.07 0.00 0.43 0.00 0.00 52.55 55.53 2brl s ASP 135 Cb -0.11 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 39.86 2brl s ASP 135 CO 0.03 -0.44 -0.18 0.42 -0.17 0.00 0.00 175.17 174.83 2brl s THR 136 N -1.29 1.46 -0.01 1.71 -4.23 -0.97 -4.22 115.64 108.10 2brl s THR 136 Ca 0.51 -1.27 -0.18 0.00 -1.18 0.00 0.00 61.69 59.57 2brl s THR 136 Cb -0.32 -1.32 -0.06 0.00 1.34 0.00 0.00 72.50 72.15 2brl s THR 136 CO 0.41 0.01 0.51 -0.89 -0.54 0.00 0.00 174.62 174.12 2brl s THR 137 N -0.99 4.96 -0.10 3.99 2.01 0.69 -1.57 115.64 124.63 2brl s THR 137 Ca 0.04 1.06 -0.02 0.00 0.31 0.00 0.00 61.69 63.07 2brl s THR 137 Cb -0.09 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 2brl s THR 137 CO 0.02 0.48 -0.00 -0.51 -0.69 0.00 0.00 174.62 173.92 2brl s ILE 138 N -0.49 4.27 0.07 1.82 2.07 -0.67 -1.87 121.20 126.39 2brl s ILE 138 Ca 0.27 -0.25 -0.05 0.00 -1.41 0.00 0.00 60.65 59.21 2brl s ILE 138 Cb -0.17 -2.82 -0.02 0.00 0.13 0.00 0.00 42.46 39.58 2brl s ILE 138 CO 0.15 0.58 0.08 -0.04 -1.91 0.00 0.00 174.94 173.80 2brl s MET 139 N -0.58 0.72 -0.09 3.50 -1.94 -0.75 -4.27 119.30 115.88 2brl s MET 139 Ca 0.10 -1.07 -0.12 0.00 -1.71 0.00 0.00 55.69 52.89 2brl s MET 139 Cb -0.12 0.27 -0.05 0.00 2.01 0.00 0.00 34.83 36.95 2brl s MET 139 CO 0.02 -0.19 0.28 0.00 -0.01 0.00 0.00 175.02 175.12 2brl s ALA 140 N -3.82 3.73 0.30 3.03 0.00 -1.26 -1.54 121.76 122.19 2brl s ALA 140 Ca 0.05 -0.44 -0.27 0.00 0.00 0.00 0.00 51.96 51.30 2brl s ALA 140 Cb 0.06 -2.24 -0.10 0.00 0.00 0.00 0.00 23.12 20.84 2brl s ALA 140 CO -0.10 0.40 0.95 0.21 0.00 0.00 0.00 175.76 177.22 2brl s LYS 141 N -0.56 4.67 -0.62 0.00 2.20 0.46 -4.81 119.74 121.07 2brl s LYS 141 Ca 0.18 1.39 -0.11 0.00 -0.36 0.00 0.00 55.97 57.07 2brl s LYS 141 Cb -0.14 -2.96 0.16 0.00 -1.51 0.00 0.00 37.83 33.38 2brl s LYS 141 CO 0.07 0.35 0.53 -0.80 -0.36 0.00 0.00 175.35 175.14 2brl s ASN 142 N -1.46 6.10 -0.06 1.43 0.02 -1.26 -4.39 114.94 115.31 2brl s ASN 142 Ca 0.47 -2.27 0.05 0.00 -1.02 0.00 0.00 52.86 50.09 2brl s ASN 142 Cb -0.21 -2.10 -0.00 0.00 0.02 0.00 0.00 41.25 38.95 2brl s ASN 142 CO 0.27 -0.65 -0.20 -1.61 0.02 0.00 0.00 177.10 174.92 2brl s GLU 143 N 0.83 2.28 0.22 -0.60 2.02 -1.26 -4.88 118.70 117.31 2brl s GLU 143 Ca 0.11 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 2brl s GLU 143 Cb -0.21 -1.88 -0.08 0.00 0.10 0.00 0.00 34.13 32.05 2brl s GLU 143 CO -0.03 0.25 1.02 0.08 0.02 0.00 0.00 175.26 176.60 2brl s VAL 144 N 0.12 3.92 0.12 2.63 1.01 -1.26 -1.69 120.40 125.25 2brl s VAL 144 Ca -0.08 1.82 0.02 0.00 0.00 0.00 0.00 61.98 63.73 2brl s VAL 144 Cb -0.14 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 2brl s VAL 144 CO 0.04 0.39 0.07 0.49 0.00 0.00 0.00 175.10 176.08 2brl n PHE 145 N 1.77 -0.08 -4.21 5.22 3.01 -0.39 -4.93 117.46 117.85 2brl n PHE 145 Ca -0.00 -0.86 -0.18 0.00 1.01 0.00 0.00 57.45 57.42 2brl n PHE 145 Cb 0.46 0.04 -0.12 0.00 -0.01 0.00 0.00 39.48 39.85 2brl n PHE 145 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2brl n VAL 147 N 1.57 0.57 0.00 0.00 0.31 -0.98 -5.00 118.33 114.80 2brl n VAL 147 Ca -0.20 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2brl n VAL 147 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 2brl n VAL 147 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2brl n GLY 153 N 0.64 -0.01 3.72 2.92 0.00 -1.26 -5.07 105.19 106.14 2brl n GLY 153 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2brl n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2brl s ARG 154 N -0.29 4.26 -0.03 1.61 0.52 -1.26 -5.01 118.95 118.75 2brl s ARG 154 Ca 0.00 2.25 -0.13 0.00 -0.52 0.00 0.00 55.73 57.33 2brl s ARG 154 Cb 0.00 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 2brl s ARG 154 CO 0.00 -0.51 0.36 -1.59 0.02 0.00 0.00 175.30 173.58 2brl s LYS 155 N 0.80 3.84 0.94 3.54 -2.85 -1.26 -5.10 119.74 119.65 2brl s LYS 155 Ca 0.66 0.31 -0.12 0.00 -1.00 0.00 0.00 55.97 55.82 2brl s LYS 155 Cb -0.41 -3.22 0.15 0.00 -2.06 0.00 0.00 37.83 32.29 2brl s LYS 155 CO 0.33 0.69 1.09 -1.25 0.10 0.00 0.00 175.35 176.32 2brl s PRO 156 N -1.02 0.92 0.23 1.78 0.04 -1.26 -4.87 135.00 130.82 2brl s PRO 156 Ca 0.22 0.80 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 2brl s PRO 156 Cb -0.16 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2brl s PRO 156 CO 0.11 -2.47 1.39 0.00 0.04 0.00 0.00 177.00 176.07 2brl s ALA 157 N -2.89 3.58 0.46 8.56 0.00 -1.26 -4.96 121.76 125.26 2brl s ALA 157 Ca 0.64 1.24 -0.23 0.00 0.00 0.00 0.00 51.96 53.62 2brl s ALA 157 Cb -0.19 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 2brl s ALA 157 CO 0.58 -0.66 1.14 1.03 0.00 0.00 0.00 175.76 177.85 2brl s ARG 158 N -0.33 3.76 -0.00 0.00 0.52 -1.26 -4.62 118.95 117.01 2brl s ARG 158 Ca 0.58 1.71 -0.16 0.00 -0.52 0.00 0.00 55.73 57.33 2brl s ARG 158 Cb -0.40 -2.36 -0.06 0.00 0.52 0.00 0.00 34.95 32.65 2brl s ARG 158 CO 0.42 -0.53 0.46 -0.51 0.02 0.00 0.00 175.30 175.15 2brl s LEU 159 N -3.09 4.46 -0.13 2.53 1.43 -1.26 -0.41 118.68 122.21 2brl s LEU 159 Ca 0.64 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 2brl s LEU 159 Cb -0.27 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 2brl s LEU 159 CO 0.32 0.26 -0.15 -0.51 0.23 0.00 0.00 176.35 176.51 2brl s ILE 160 N -0.82 2.88 -0.26 -0.59 1.10 -0.59 -4.84 121.20 118.08 2brl s ILE 160 Ca 0.25 -0.72 0.01 0.00 -0.51 0.00 0.00 60.65 59.68 2brl s ILE 160 Cb -0.17 -2.20 0.07 0.00 0.15 0.00 0.00 42.46 40.31 2brl s ILE 160 CO 0.14 0.53 -0.03 -0.69 -2.11 0.00 0.00 174.94 172.78 2brl s VAL 161 N 0.44 1.58 0.03 4.00 1.01 -1.26 -1.82 120.40 124.39 2brl s VAL 161 Ca -0.11 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 60.50 2brl s VAL 161 Cb -0.16 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2brl s VAL 161 CO 0.05 -0.23 -0.08 0.72 0.00 0.00 0.00 175.10 175.56 2brl s PHE 162 N 1.34 0.71 0.89 5.22 -0.12 -0.78 -1.62 117.98 123.63 2brl s PHE 162 Ca -0.02 -0.40 -0.13 0.00 -0.05 0.00 0.00 56.93 56.33 2brl s PHE 162 Cb -0.19 -0.42 0.20 0.00 -0.63 0.00 0.00 43.02 41.98 2brl s PHE 162 CO -0.08 -0.05 1.22 -0.35 -0.05 0.00 0.00 175.22 175.90 2brl n PRO 163 N 1.80 -1.06 -1.73 1.99 -0.04 -1.26 -0.22 135.00 134.47 2brl n PRO 163 Ca -0.20 -2.05 -0.34 0.00 -0.04 0.00 0.00 63.50 60.87 2brl n PRO 163 Cb 0.55 -1.20 0.05 0.00 -0.04 0.00 0.00 33.50 32.87 2brl n PRO 163 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2brl s ASP 164 N -5.51 4.94 0.27 3.54 -1.08 -1.26 -4.80 116.67 112.77 2brl s ASP 164 Ca 0.70 2.12 -0.00 0.00 -0.52 0.00 0.00 52.55 54.85 2brl s ASP 164 Cb -0.02 -2.57 0.55 0.00 -1.46 0.00 0.00 42.92 39.43 2brl s ASP 164 CO 0.49 -1.75 1.77 0.25 0.52 0.00 0.00 175.17 176.45 2brl h LEU 165 N 0.09 0.56 -1.01 -1.34 5.85 -1.85 -0.96 115.31 116.65 2brl h LEU 165 Ca -0.47 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 2brl h LEU 165 Cb 1.26 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 2brl h LEU 165 CO 0.53 0.23 0.55 1.23 -0.34 0.00 0.00 178.44 180.65 2brl h GLY 166 N 0.65 1.31 1.59 3.75 0.00 -1.95 -0.74 103.07 107.68 2brl h GLY 166 Ca 0.47 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 2brl h GLY 166 CO -0.36 0.52 -0.26 -2.08 0.00 0.00 0.00 176.54 174.36 2brl h VAL 167 N 1.25 1.27 -0.03 4.60 2.07 -1.57 -2.94 116.25 120.90 2brl h VAL 167 Ca 0.33 -1.28 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 2brl h VAL 167 Cb -0.06 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2brl h VAL 167 CO -0.06 0.41 -0.46 0.03 0.02 0.00 0.00 177.57 177.50 2brl h ARG 168 N 0.42 0.08 -0.09 1.57 3.08 -0.35 -1.66 114.38 117.42 2brl h ARG 168 Ca 0.06 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2brl h ARG 168 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 2brl h ARG 168 CO 0.05 0.53 -0.02 0.28 -1.07 0.00 0.00 179.97 179.74 2brl h VAL 169 N 0.07 1.28 -0.06 2.04 2.07 -1.16 -3.12 116.25 117.37 2brl h VAL 169 Ca 0.00 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.63 2brl h VAL 169 Cb 0.84 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2brl h VAL 169 CO 0.06 0.26 0.05 0.00 0.02 0.00 0.00 177.57 177.96 2brl h GLU 171 N 0.00 0.77 -0.73 0.00 5.08 -1.30 -2.18 114.58 116.22 2brl h GLU 171 Ca 0.03 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2brl h GLU 171 Cb 0.12 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2brl h GLU 171 CO -0.00 0.87 0.42 0.87 -1.00 0.00 0.00 179.01 180.18 2brl h LYS 172 N 0.59 1.00 0.04 2.33 1.57 -1.32 -0.56 116.57 120.22 2brl h LYS 172 Ca 0.11 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2brl h LYS 172 Cb 0.56 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2brl h LYS 172 CO 0.03 0.72 -0.13 0.52 -0.57 0.00 0.00 179.45 180.02 2brl h MET 173 N 1.00 -0.23 -0.34 3.15 2.86 -1.14 -0.61 114.93 119.62 2brl h MET 173 Ca 0.26 0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.80 2brl h MET 173 Cb -0.01 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2brl h MET 173 CO -0.05 -0.16 -0.25 0.00 1.06 0.00 0.00 176.91 177.52 2brl h ALA 174 N 0.68 0.94 0.00 6.32 0.00 -1.36 -1.83 119.26 124.01 2brl h ALA 174 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2brl h ALA 174 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2brl h ALA 174 CO -0.10 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.04 2brl n LEU 175 N -4.11 0.18 -0.14 0.00 4.77 -0.22 -4.77 117.00 112.70 2brl n LEU 175 Ca -0.00 -0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 55.59 2brl n LEU 175 Cb 0.43 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2brl n LEU 175 CO 0.44 0.05 0.92 0.22 -1.33 0.00 0.00 177.39 177.68 2brl h TYR 176 N 0.00 0.64 -0.50 -1.77 3.20 -1.22 -0.05 116.97 117.27 2brl h TYR 176 Ca 0.00 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 2brl h TYR 176 Cb 0.13 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2brl h TYR 176 CO 0.00 0.57 0.07 0.22 -1.64 0.00 0.00 178.16 177.39 2brl h ASP 177 N 0.53 0.74 0.09 -2.11 3.58 -1.79 -2.56 116.42 114.89 2brl h ASP 177 Ca 0.14 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2brl h ASP 177 Cb 0.21 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2brl h ASP 177 CO -0.01 0.76 -0.04 0.58 -2.88 0.00 0.00 179.24 177.65 2brl h VAL 178 N 0.75 1.11 0.00 2.25 2.07 -1.69 -2.93 116.25 117.82 2brl h VAL 178 Ca 0.16 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2brl h VAL 178 Cb 0.35 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2brl h VAL 178 CO 0.01 0.19 0.00 -0.37 0.02 0.00 0.00 177.57 177.41 2brl h VAL 179 N -0.46 0.00 -0.02 2.57 -1.51 -0.97 0.52 116.25 116.39 2brl h VAL 179 Ca -0.01 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2brl h VAL 179 Cb 0.39 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2brl h VAL 179 CO 0.02 0.00 -0.30 -1.54 -1.23 0.00 0.00 177.57 174.52 2brl n SER 180 N -2.82 1.93 0.01 4.19 3.41 -0.97 -4.57 113.62 114.80 2brl n SER 180 Ca 0.01 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 2brl n SER 180 Cb 0.30 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2brl n SER 180 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2brl n THR 181 N 0.10 0.32 -0.05 6.66 -1.04 -0.98 -4.93 114.28 114.36 2brl n THR 181 Ca 0.12 0.11 -0.08 0.00 -2.04 0.00 0.00 64.05 62.15 2brl n THR 181 Cb 0.46 -1.48 -0.02 0.00 -1.82 0.00 0.00 70.33 67.47 2brl n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2brl h LEU 182 N 0.00 -0.26 -0.95 -4.42 6.46 -1.13 -3.24 115.31 111.77 2brl h LEU 182 Ca 0.00 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.89 2brl h LEU 182 Cb 0.70 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.73 2brl h LEU 182 CO 0.00 -0.10 0.62 -0.65 -0.62 0.00 0.00 178.44 177.69 2brl h PRO 183 N -0.03 1.12 -0.22 5.25 0.11 -1.81 -0.80 132.00 135.63 2brl h PRO 183 Ca 0.12 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 2brl h PRO 183 Cb 0.20 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 2brl h PRO 183 CO -0.25 0.74 -0.35 0.37 -0.21 0.00 0.00 178.00 178.30 2brl h GLN 184 N 1.16 0.48 -0.41 1.05 4.15 -1.88 0.92 115.11 120.57 2brl h GLN 184 Ca 0.40 -0.22 -0.13 0.00 0.77 0.00 0.00 58.65 59.47 2brl h GLN 184 Cb 0.08 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2brl h GLN 184 CO -0.15 0.77 -0.24 0.28 -1.93 0.00 0.00 178.83 177.56 2brl h VAL 185 N 0.41 1.28 -0.06 2.39 2.07 -1.36 -0.61 116.25 120.36 2brl h VAL 185 Ca 0.05 -1.39 -0.24 0.00 0.82 0.00 0.00 66.70 65.93 2brl h VAL 185 Cb 0.80 1.28 0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2brl h VAL 185 CO 0.07 0.47 -0.90 0.58 0.02 0.00 0.00 177.57 177.81 2brl h VAL 186 N 0.71 1.29 -0.00 2.57 2.07 -0.87 -3.35 116.25 118.67 2brl h VAL 186 Ca 0.09 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2brl h VAL 186 Cb 0.81 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 2brl h VAL 186 CO 0.07 0.66 -0.66 0.23 0.02 0.00 0.00 177.57 177.88 2brl n MET 187 N -3.93 1.37 0.00 1.57 2.81 0.29 -4.92 117.12 114.32 2brl n MET 187 Ca -0.10 -0.31 0.00 0.00 -1.81 0.00 0.00 57.70 55.49 2brl n MET 187 Cb 0.81 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.99 2brl n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2brl n GLY 188 N 1.35 3.37 0.07 3.03 0.00 -0.24 -1.81 105.19 110.97 2brl n GLY 188 Ca 0.05 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2brl n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2brl n SER 189 N 5.28 0.40 0.02 1.61 3.41 -1.26 -2.50 113.62 120.59 2brl n SER 189 Ca 0.00 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 2brl n SER 189 Cb 0.00 -0.67 0.47 0.00 -0.26 0.00 0.00 64.21 63.75 2brl n SER 189 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2brl n SER 190 N -1.92 0.29 -4.55 4.04 7.64 -0.75 -4.71 113.62 113.66 2brl n SER 190 Ca 0.04 0.32 -0.38 0.00 1.01 0.00 0.00 58.87 59.86 2brl n SER 190 Cb 0.25 -0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 63.08 2brl n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2brl s TYR 191 N -3.03 2.02 0.43 1.43 5.04 -1.04 -1.41 117.35 120.79 2brl s TYR 191 Ca 0.12 0.22 0.13 0.00 -2.44 0.00 0.00 57.07 55.10 2brl s TYR 191 Cb 0.17 -4.35 1.00 0.00 0.35 0.00 0.00 41.96 39.13 2brl s TYR 191 CO 0.59 -2.07 1.99 0.78 -1.34 0.00 0.00 175.55 175.50 2brl h GLY 192 N 15.03 0.59 1.49 8.97 0.00 -1.21 -3.06 103.07 124.88 2brl h GLY 192 Ca -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2brl h GLY 192 CO 1.27 0.12 0.00 0.69 0.00 0.00 0.00 176.54 178.62 2brl n PHE 193 N -4.47 0.00 0.95 5.60 3.01 -1.26 -2.73 117.46 118.56 2brl n PHE 193 Ca 0.09 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.68 2brl n PHE 193 Cb 0.32 -0.24 0.45 0.00 -0.01 0.00 0.00 39.48 40.00 2brl n PHE 193 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2brl n GLN 194 N -1.24 0.03 -3.99 -1.08 10.64 -1.16 -4.89 117.38 115.68 2brl n GLN 194 Ca 0.07 0.02 -0.35 0.00 -1.83 0.00 0.00 57.00 54.91 2brl n GLN 194 Cb 0.11 -1.53 -0.06 0.00 -0.86 0.00 0.00 30.24 27.89 2brl n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2brl s TYR 195 N -3.02 3.47 0.97 2.61 1.51 -1.11 -5.06 117.35 116.73 2brl s TYR 195 Ca 0.12 0.38 -0.15 0.00 -1.01 0.00 0.00 57.07 56.42 2brl s TYR 195 Cb 0.18 -1.86 0.18 0.00 -0.11 0.00 0.00 41.96 40.35 2brl s TYR 195 CO 0.61 0.65 1.20 -1.54 -1.11 0.00 0.00 175.55 175.35 2brl s SER 196 N -1.35 2.98 0.16 2.29 1.04 -1.26 -4.80 113.70 112.75 2brl s SER 196 Ca 0.19 0.64 -0.16 0.00 0.48 0.00 0.00 55.95 57.10 2brl s SER 196 Cb -0.12 -0.96 0.02 0.00 0.10 0.00 0.00 66.02 65.06 2brl s SER 196 CO 0.09 -2.85 1.82 -0.65 0.98 0.00 0.00 173.24 172.63 2brl h PRO 197 N -1.71 0.56 -0.63 4.02 0.11 -1.91 -0.93 132.00 131.51 2brl h PRO 197 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2brl h PRO 197 Cb 1.29 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2brl h PRO 197 CO 0.49 0.38 0.40 0.78 -0.21 0.00 0.00 178.00 179.83 2brl h GLY 198 N 0.58 0.90 1.55 -0.55 0.00 -1.94 -1.77 103.07 101.84 2brl h GLY 198 Ca 0.16 -0.35 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 2brl h GLY 198 CO -0.03 0.34 -0.60 1.46 0.00 0.00 0.00 176.54 177.71 2brl h GLN 199 N 0.86 0.46 -0.38 4.80 4.20 -1.85 -2.11 115.11 121.10 2brl h GLN 199 Ca 0.23 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 2brl h GLN 199 Cb -0.06 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2brl h GLN 199 CO -0.05 0.93 0.09 -0.09 -0.67 0.00 0.00 178.83 179.04 2brl h ARG 200 N 0.35 0.61 -0.67 1.46 2.43 -0.86 -1.22 114.38 116.47 2brl h ARG 200 Ca -0.00 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 2brl h ARG 200 Cb 1.14 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 2brl h ARG 200 CO 0.11 0.64 0.29 0.28 -1.51 0.00 0.00 179.97 179.78 2brl h VAL 201 N 0.47 1.22 -0.27 0.20 2.07 -1.31 -1.28 116.25 117.36 2brl h VAL 201 Ca 0.12 -0.67 -0.19 0.00 0.82 0.00 0.00 66.70 66.78 2brl h VAL 201 Cb 0.30 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2brl h VAL 201 CO 0.00 0.27 -0.59 -0.08 0.02 0.00 0.00 177.57 177.20 2brl h GLU 202 N 0.95 0.87 0.16 1.57 4.81 -1.06 0.04 114.58 121.93 2brl h GLU 202 Ca 0.23 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2brl h GLU 202 Cb 0.14 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2brl h GLU 202 CO -0.02 1.21 -0.16 0.35 -0.73 0.00 0.00 179.01 179.65 2brl h PHE 203 N 0.66 -0.42 -0.39 0.92 3.57 -1.02 -1.00 116.94 119.25 2brl h PHE 203 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2brl h PHE 203 Cb 1.20 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 2brl h PHE 203 CO 0.07 -0.25 0.20 -0.07 -2.23 0.00 0.00 178.31 176.04 2brl h LEU 204 N -0.35 0.51 -0.27 0.59 3.38 -1.15 -1.06 115.31 116.95 2brl h LEU 204 Ca 0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2brl h LEU 204 Cb 0.33 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2brl h LEU 204 CO -0.04 0.48 -0.08 0.58 0.09 0.00 0.00 178.44 179.47 2brl h VAL 205 N 0.50 1.29 -0.88 1.22 2.07 -0.96 -0.59 116.25 118.89 2brl h VAL 205 Ca 0.14 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2brl h VAL 205 Cb 0.10 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2brl h VAL 205 CO -0.02 0.35 0.57 0.78 0.02 0.00 0.00 177.57 179.27 2brl h ASN 206 N 0.28 1.03 -0.18 0.57 2.35 -1.09 -0.93 115.58 117.61 2brl h ASN 206 Ca 0.07 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2brl h ASN 206 Cb 0.56 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2brl h ASN 206 CO 0.03 0.76 -0.05 0.74 -1.65 0.00 0.00 177.43 177.26 2brl h THR 207 N 1.20 1.29 -0.59 2.81 2.02 -1.01 -2.09 112.91 116.54 2brl h THR 207 Ca 0.32 -1.03 0.07 0.00 0.77 0.00 0.00 66.41 66.54 2brl h THR 207 Cb -0.11 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 2brl h THR 207 CO -0.07 0.31 0.28 -0.25 0.37 0.00 0.00 175.52 176.16 2brl h TRP 208 N 0.05 0.50 0.00 3.16 2.91 -0.91 -2.78 115.95 118.88 2brl h TRP 208 Ca 0.04 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2brl h TRP 208 Cb 0.50 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.01 2brl h TRP 208 CO 0.05 0.20 0.00 0.87 -1.03 0.00 0.00 178.44 178.53 2brl h LYS 209 N 0.51 0.00 0.00 2.65 1.57 -1.06 -2.90 116.57 117.34 2brl h LYS 209 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2brl h LYS 209 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2brl h LYS 209 CO -0.22 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.32 2brl h SER 210 N 0.00 0.00 -3.16 0.86 4.64 -1.08 -3.45 113.55 111.36 2brl h SER 210 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2brl h SER 210 Cb 0.72 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.77 2brl h SER 210 CO 0.00 0.00 -0.10 -0.54 -0.87 0.00 0.00 176.83 175.32 2brl s LYS 211 N -3.21 4.07 0.04 4.77 -0.14 -1.10 -5.02 119.74 119.16 2brl s LYS 211 Ca 0.08 0.59 -0.22 0.00 -1.36 0.00 0.00 55.97 55.06 2brl s LYS 211 Cb 0.11 -3.21 -0.14 0.00 -1.68 0.00 0.00 37.83 32.91 2brl s LYS 211 CO 0.53 0.65 1.43 0.87 -0.76 0.00 0.00 175.35 178.07 2brl h LYS 212 N 4.51 0.21 -3.28 1.68 1.57 -1.88 -3.37 116.57 116.02 2brl h LYS 212 Ca -0.50 -0.08 -0.62 0.00 -1.87 0.00 0.00 60.65 57.57 2brl h LYS 212 Cb 1.21 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.11 2brl h LYS 212 CO 0.63 0.51 -0.70 -0.80 -0.57 0.00 0.00 179.45 178.52 2brl s ASN 213 N -5.78 4.00 0.32 0.86 0.01 -1.26 -5.08 114.94 108.00 2brl s ASN 213 Ca -0.14 -2.69 -0.29 0.00 -0.71 0.00 0.00 52.86 49.03 2brl s ASN 213 Cb 0.05 -1.30 -0.10 0.00 0.41 0.00 0.00 41.25 40.31 2brl s ASN 213 CO 0.71 -0.27 1.22 -2.16 -1.51 0.00 0.00 177.10 175.09 2brl s PRO 214 N 0.21 4.43 0.06 -0.60 0.04 -1.26 -0.41 135.00 137.47 2brl s PRO 214 Ca 0.16 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.28 2brl s PRO 214 Cb -0.24 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 2brl s PRO 214 CO -0.02 -0.06 -0.12 1.41 0.04 0.00 0.00 177.00 178.26 2brl s MET 215 N -1.72 0.75 0.19 4.56 1.75 -0.61 -4.65 119.30 119.58 2brl s MET 215 Ca 0.48 -0.84 -0.15 0.00 -1.25 0.00 0.00 55.69 53.92 2brl s MET 215 Cb -0.36 -0.70 0.02 0.00 2.84 0.00 0.00 34.83 36.63 2brl s MET 215 CO 0.47 0.16 0.46 0.20 -0.65 0.00 0.00 175.02 175.66 2brl s GLY 216 N -1.54 0.07 0.08 2.11 0.00 -0.71 -0.78 107.32 106.55 2brl s GLY 216 Ca -0.03 -0.41 -0.19 0.00 0.00 0.00 0.00 44.72 44.08 2brl s GLY 216 CO 0.02 -0.42 0.47 -0.11 0.00 0.00 0.00 173.10 173.05 2brl s PHE 217 N -3.90 -0.33 -0.06 1.90 -0.71 -0.50 -0.89 117.98 113.49 2brl s PHE 217 Ca 0.11 0.21 -0.04 0.00 -1.04 0.00 0.00 56.93 56.18 2brl s PHE 217 Cb 0.00 0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 42.08 2brl s PHE 217 CO -0.02 -0.67 0.12 -1.54 -1.34 0.00 0.00 175.22 171.77 2brl s SER 218 N -2.33 6.07 0.07 1.98 1.04 -1.26 -1.29 113.70 117.97 2brl s SER 218 Ca -0.02 0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.81 2brl s SER 218 Cb 0.00 -1.87 -0.03 0.00 0.10 0.00 0.00 66.02 64.22 2brl s SER 218 CO -0.06 0.34 -0.21 -0.47 0.98 0.00 0.00 173.24 173.82 2brl s TYR 219 N -1.11 1.83 -0.10 5.02 5.04 -0.35 -4.59 117.35 123.09 2brl s TYR 219 Ca 0.19 -0.39 -0.04 0.00 -2.44 0.00 0.00 57.07 54.39 2brl s TYR 219 Cb -0.12 -1.06 0.05 0.00 0.35 0.00 0.00 41.96 41.18 2brl s TYR 219 CO 0.09 0.14 0.21 0.34 -1.34 0.00 0.00 175.55 175.00 2brl s ASP 220 N -1.48 -0.07 0.22 4.32 2.15 -1.26 -1.65 116.67 118.89 2brl s ASP 220 Ca 0.07 0.45 -0.29 0.00 0.43 0.00 0.00 52.55 53.22 2brl s ASP 220 Cb -0.09 0.37 -0.09 0.00 -0.30 0.00 0.00 42.92 42.81 2brl s ASP 220 CO 0.03 -0.18 0.92 -0.89 -0.17 0.00 0.00 175.17 174.88 2brl s THR 221 N 1.45 4.14 -0.28 1.71 2.01 -1.25 -2.30 115.64 121.12 2brl s THR 221 Ca -0.07 2.03 -0.29 0.00 0.31 0.00 0.00 61.69 63.67 2brl s THR 221 Cb -0.11 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 2brl s THR 221 CO -0.08 0.49 1.45 -0.60 -0.69 0.00 0.00 174.62 175.19 2brl s ARG 222 N -1.09 3.82 -0.97 4.92 3.52 -0.53 -3.89 118.95 124.73 2brl s ARG 222 Ca 0.41 1.39 -0.11 0.00 -0.13 0.00 0.00 55.73 57.28 2brl s ARG 222 Cb -0.25 -3.96 -0.00 0.00 -1.56 0.00 0.00 34.95 29.17 2brl s ARG 222 CO 0.31 -1.24 0.72 0.00 -0.81 0.00 0.00 175.30 174.28 2brl h PHE 224 N -0.99 0.06 -0.88 0.00 3.57 -1.96 -1.73 116.94 115.01 2brl h PHE 224 Ca -0.51 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.18 2brl h PHE 224 Cb 1.29 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.91 2brl h PHE 224 CO 0.28 0.04 0.42 -0.44 -2.23 0.00 0.00 178.31 176.37 2brl h ASP 225 N 0.08 0.42 0.66 0.41 3.32 -1.91 -0.65 116.42 118.74 2brl h ASP 225 Ca 0.04 0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 2brl h ASP 225 Cb 0.02 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2brl h ASP 225 CO -0.04 0.09 -0.43 0.28 -1.72 0.00 0.00 179.24 177.42 2brl h SER 226 N 0.49 0.00 1.18 6.45 0.02 -1.67 -2.53 113.55 117.49 2brl h SER 226 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 2brl h SER 226 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2brl h SER 226 CO -0.46 0.43 0.00 0.71 -1.14 0.00 0.00 176.83 176.37 2brl h THR 227 N 0.00 0.00 -2.83 -2.27 1.35 -0.28 -3.44 112.91 105.44 2brl h THR 227 Ca -0.00 -0.51 -0.56 0.00 -0.55 0.00 0.00 66.41 64.79 2brl h THR 227 Cb 0.87 1.43 -0.03 0.00 -1.73 0.00 0.00 68.15 68.70 2brl h THR 227 CO 0.06 0.00 0.94 -0.69 -0.25 0.00 0.00 175.52 175.58 2brl s VAL 228 N -3.40 4.01 0.62 6.82 1.01 -1.05 -4.85 120.40 123.56 2brl s VAL 228 Ca 0.05 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.30 2brl s VAL 228 Cb 0.09 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.74 2brl s VAL 228 CO 0.53 -0.09 0.86 0.42 0.00 0.00 0.00 175.10 176.82 2brl s THR 229 N 3.47 2.37 0.20 3.92 -4.23 -1.26 -4.15 115.64 115.96 2brl s THR 229 Ca 0.61 -0.70 -0.08 0.00 -1.18 0.00 0.00 61.69 60.34 2brl s THR 229 Cb -0.26 -2.67 0.12 0.00 1.34 0.00 0.00 72.50 71.03 2brl s THR 229 CO 0.21 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 175.93 2brl h GLU 230 N -0.15 1.15 -0.70 3.99 4.81 -1.88 -1.77 114.58 120.02 2brl h GLU 230 Ca -0.38 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.55 2brl h GLU 230 Cb 1.28 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2brl h GLU 230 CO 0.45 1.01 0.31 -0.97 -0.73 0.00 0.00 179.01 179.07 2brl h ASN 231 N 1.09 0.94 -0.42 1.04 -1.24 -1.98 -0.91 115.58 114.10 2brl h ASN 231 Ca 0.23 -0.15 0.05 0.00 0.71 0.00 0.00 56.30 57.14 2brl h ASN 231 Cb 0.37 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.13 2brl h ASN 231 CO 0.00 0.83 0.14 0.44 -1.29 0.00 0.00 177.43 177.55 2brl h ASP 232 N 0.99 0.13 -0.09 1.15 3.32 -1.82 0.19 116.42 120.28 2brl h ASP 232 Ca 0.24 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 2brl h ASP 232 Cb 0.16 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2brl h ASP 232 CO -0.03 0.11 -0.26 0.40 -1.72 0.00 0.00 179.24 177.75 2brl h ILE 233 N 0.30 1.27 -0.04 0.35 2.04 -1.05 -0.70 117.51 119.68 2brl h ILE 233 Ca 0.20 -1.30 -0.15 0.00 1.00 0.00 0.00 64.86 64.60 2brl h ILE 233 Cb 0.19 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2brl h ILE 233 CO -0.21 0.42 -0.68 0.03 0.00 0.00 0.00 178.15 177.71 2brl h ARG 234 N 0.47 0.16 -0.26 2.37 3.08 -0.64 -2.30 114.38 117.27 2brl h ARG 234 Ca 0.07 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2brl h ARG 234 Cb 0.69 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2brl h ARG 234 CO 0.05 0.78 0.01 0.28 -1.07 0.00 0.00 179.97 180.02 2brl h VAL 235 N 0.11 1.25 -0.50 2.04 2.07 -0.20 -1.97 116.25 119.06 2brl h VAL 235 Ca -0.01 -0.89 0.08 0.00 0.82 0.00 0.00 66.70 66.69 2brl h VAL 235 Cb 1.21 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 2brl h VAL 235 CO 0.10 0.28 0.15 -0.33 0.02 0.00 0.00 177.57 177.79 2brl h GLU 236 N 0.24 0.30 -0.66 1.57 5.08 -1.04 -0.98 114.58 119.09 2brl h GLU 236 Ca 0.07 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2brl h GLU 236 Cb 0.40 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2brl h GLU 236 CO 0.01 0.20 0.44 1.49 -1.00 0.00 0.00 179.01 180.15 2brl h GLU 237 N 0.31 0.76 -0.11 2.33 4.22 -1.30 -1.86 114.58 118.93 2brl h GLU 237 Ca 0.25 -0.05 -0.16 0.00 0.08 0.00 0.00 59.36 59.48 2brl h GLU 237 Cb 0.30 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2brl h GLU 237 CO -0.28 0.51 -0.63 0.66 -2.18 0.00 0.00 179.01 177.09 2brl h SER 238 N 0.79 0.47 0.18 1.04 4.64 -0.42 -1.41 113.55 118.84 2brl h SER 238 Ca 0.26 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2brl h SER 238 Cb 0.07 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2brl h SER 238 CO -0.07 0.98 -0.10 0.40 -0.87 0.00 0.00 176.83 177.17 2brl h ILE 239 N 0.30 0.80 -0.73 0.95 2.04 -0.75 -2.77 117.51 117.35 2brl h ILE 239 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 2brl h ILE 239 Cb 1.17 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 2brl h ILE 239 CO 0.11 0.00 0.48 1.88 0.00 0.00 0.00 178.15 180.62 2brl h TYR 240 N -0.26 0.53 0.00 1.37 0.99 -1.18 -1.40 116.97 117.02 2brl h TYR 240 Ca -0.02 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2brl h TYR 240 Cb 0.21 -0.17 0.00 0.00 1.00 0.00 0.00 36.73 37.77 2brl h TYR 240 CO -0.07 0.22 -0.05 1.04 -0.00 0.00 0.00 178.16 179.30 2brl n GLN 241 N -4.48 0.00 0.19 4.88 1.13 -0.55 -2.72 117.38 115.84 2brl n GLN 241 Ca 0.13 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.23 2brl n GLN 241 Cb 0.46 -1.50 0.38 0.00 0.11 0.00 0.00 30.24 29.69 2brl n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2brl s ASP 244 N -2.04 6.42 0.17 0.00 -1.08 0.06 -4.99 116.67 115.21 2brl s ASP 244 Ca 0.69 -0.03 0.09 0.00 -0.52 0.00 0.00 52.55 52.78 2brl s ASP 244 Cb -0.28 -2.51 -0.04 0.00 -1.46 0.00 0.00 42.92 38.63 2brl s ASP 244 CO 0.55 -1.36 -0.20 -0.76 0.52 0.00 0.00 175.17 173.93 2brl s LEU 245 N 4.52 2.43 0.49 -1.34 1.43 -1.26 -1.92 118.68 123.02 2brl s LEU 245 Ca 0.39 -0.85 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 2brl s LEU 245 Cb -0.09 -0.92 -0.07 0.00 0.03 0.00 0.00 46.19 45.14 2brl s LEU 245 CO 0.24 0.01 1.22 0.00 0.23 0.00 0.00 176.35 178.04 2brl s ALA 246 N -1.89 2.92 0.27 4.21 0.00 -1.26 -4.87 121.76 121.14 2brl s ALA 246 Ca 0.16 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 2brl s ALA 246 Cb -0.07 -3.43 0.58 0.00 0.00 0.00 0.00 23.12 20.20 2brl s ALA 246 CO 0.07 -0.85 1.63 -1.35 0.00 0.00 0.00 175.76 175.26 2brl h PRO 247 N 1.86 0.12 -0.83 0.00 0.11 -2.00 -0.05 132.00 131.21 2brl h PRO 247 Ca -0.50 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2brl h PRO 247 Cb 1.26 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2brl h PRO 247 CO 0.59 0.08 0.38 0.93 -0.21 0.00 0.00 178.00 179.77 2brl h GLU 248 N 0.12 1.21 -0.59 1.05 5.08 -2.00 -2.03 114.58 117.41 2brl h GLU 248 Ca 0.49 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.70 2brl h GLU 248 Cb 0.93 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2brl h GLU 248 CO -0.71 0.94 0.35 0.00 -1.00 0.00 0.00 179.01 178.59 2brl h ALA 249 N 1.21 0.77 -0.77 3.43 0.00 -1.40 -1.36 119.26 121.13 2brl h ALA 249 Ca 0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2brl h ALA 249 Cb 0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2brl h ALA 249 CO -0.03 0.05 0.45 0.00 0.00 0.00 0.00 179.25 179.72 2brl h ARG 250 N 0.67 1.06 -0.14 0.00 3.08 -0.68 -0.01 114.38 118.36 2brl h ARG 250 Ca 0.25 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 2brl h ARG 250 Cb 0.08 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 2brl h ARG 250 CO -0.13 0.76 -0.06 0.37 -1.07 0.00 0.00 179.97 179.85 2brl h GLN 251 N 1.06 0.29 -0.83 0.04 5.75 -1.16 -1.47 115.11 118.79 2brl h GLN 251 Ca 0.28 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 2brl h GLN 251 Cb -0.01 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 2brl h GLN 251 CO -0.05 0.61 0.39 0.00 -2.65 0.00 0.00 178.83 177.13 2brl h ALA 252 N 0.67 1.13 -0.42 3.38 0.00 -1.10 -0.28 119.26 122.63 2brl h ALA 252 Ca 0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2brl h ALA 252 Cb 0.52 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2brl h ALA 252 CO 0.02 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.73 2brl h ILE 253 N 1.19 1.26 -0.12 0.00 2.04 -0.89 0.10 117.51 121.09 2brl h ILE 253 Ca 0.28 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2brl h ILE 253 Cb 0.13 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2brl h ILE 253 CO -0.03 0.36 0.08 0.50 0.00 0.00 0.00 178.15 179.05 2brl h LYS 254 N 0.59 0.16 0.19 2.37 3.64 -1.13 -0.73 116.57 121.67 2brl h LYS 254 Ca 0.12 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2brl h LYS 254 Cb 0.51 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2brl h LYS 254 CO 0.02 0.12 -0.09 1.03 -2.27 0.00 0.00 179.45 178.27 2brl h SER 255 N 0.16 -0.22 -0.92 4.20 0.87 -0.88 -1.00 113.55 115.75 2brl h SER 255 Ca 0.04 -0.08 0.19 0.00 -1.23 0.00 0.00 61.79 60.71 2brl h SER 255 Cb -0.00 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 61.94 2brl h SER 255 CO -0.01 -0.06 0.59 -0.07 -0.53 0.00 0.00 176.83 176.76 2brl h LEU 256 N -0.38 0.53 0.26 2.23 3.38 -0.83 -1.05 115.31 119.44 2brl h LEU 256 Ca -0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2brl h LEU 256 Cb 0.29 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2brl h LEU 256 CO 0.04 0.22 -0.12 0.74 0.09 0.00 0.00 178.44 179.41 2brl h THR 257 N 0.53 0.80 -0.34 0.22 2.02 -0.31 -1.14 112.91 114.69 2brl h THR 257 Ca 0.48 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 2brl h THR 257 Cb 1.02 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2brl h THR 257 CO -0.22 0.09 -0.09 -0.33 0.37 0.00 0.00 175.52 175.34 2brl h GLU 258 N -0.55 0.57 0.00 6.66 4.39 -0.81 -2.08 114.58 122.76 2brl h GLU 258 Ca -0.04 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2brl h GLU 258 Cb 0.41 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2brl h GLU 258 CO 0.06 0.66 -1.94 0.54 -1.16 0.00 0.00 179.01 177.16 2brl n ARG 259 N -4.21 0.62 0.00 2.33 1.74 -0.43 -4.66 116.66 112.05 2brl n ARG 259 Ca 0.01 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2brl n ARG 259 Cb 0.31 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2brl n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2brl n LEU 260 N -2.22 0.26 -0.02 0.55 7.94 -0.74 -1.09 117.00 121.68 2brl n LEU 260 Ca -0.04 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.70 2brl n LEU 260 Cb 0.54 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.40 2brl n LEU 260 CO 0.44 -0.14 0.34 1.88 -1.11 0.00 0.00 177.39 178.80 2brl h TYR 261 N 0.00 0.74 0.00 1.96 0.05 -0.80 -3.11 116.97 115.82 2brl h TYR 261 Ca 0.00 -0.33 -0.07 0.00 0.05 0.00 0.00 58.73 58.38 2brl h TYR 261 Cb 0.56 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 2brl h TYR 261 CO 0.00 1.12 -0.31 -0.84 -1.05 0.00 0.00 178.16 177.08 2brl h ILE 262 N 0.15 0.95 0.00 -2.88 3.07 -1.66 -3.42 117.51 113.71 2brl h ILE 262 Ca -0.04 -1.20 0.00 0.00 1.55 0.00 0.00 64.86 65.17 2brl h ILE 262 Cb 1.20 1.70 0.00 0.00 -0.27 0.00 0.00 36.82 39.45 2brl h ILE 262 CO 0.11 0.31 0.00 0.61 -1.05 0.00 0.00 178.15 178.13 2brl n GLY 263 N -0.25 0.06 0.00 0.16 0.00 -1.17 -3.68 105.19 100.31 2brl n GLY 263 Ca -0.01 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2brl n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brl n GLY 264 N -0.73 -1.79 3.82 -0.02 0.00 -0.54 -4.00 105.19 101.92 2brl n GLY 264 Ca 0.00 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 2brl n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2brl s PRO 265 N -1.66 3.94 0.02 1.61 0.04 -1.26 -0.79 135.00 136.90 2brl s PRO 265 Ca 0.00 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.22 2brl s PRO 265 Cb 0.00 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2brl s PRO 265 CO 0.00 -0.29 -0.10 -0.51 0.04 0.00 0.00 177.00 176.15 2brl s LEU 266 N -3.68 3.03 -0.01 -3.56 1.43 -0.07 -2.28 118.68 113.54 2brl s LEU 266 Ca 0.62 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 2brl s LEU 266 Cb -0.12 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2brl s LEU 266 CO 0.23 0.27 0.00 -0.89 0.23 0.00 0.00 176.35 176.19 2brl s THR 267 N -0.99 0.09 0.99 5.49 2.01 -0.61 -1.47 115.64 121.15 2brl s THR 267 Ca 0.17 0.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.05 2brl s THR 267 Cb -0.11 -0.15 0.22 0.00 0.01 0.00 0.00 72.50 72.48 2brl s THR 267 CO 0.07 0.08 1.35 0.54 -0.69 0.00 0.00 174.62 175.97 2brl s ASN 268 N 0.54 2.84 0.47 3.53 2.20 0.09 -1.66 114.94 122.94 2brl s ASN 268 Ca -0.05 0.16 0.32 0.00 -0.94 0.00 0.00 52.86 52.35 2brl s ASN 268 Cb -0.07 -0.11 1.66 0.00 -2.00 0.00 0.00 41.25 40.72 2brl s ASN 268 CO -0.01 -2.90 1.97 0.77 -2.94 0.00 0.00 177.10 173.99 2brl h SER 269 N -1.76 0.00 -0.76 3.54 4.64 -1.78 -2.08 113.55 115.36 2brl h SER 269 Ca -0.44 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.45 2brl h SER 269 Cb 1.21 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.06 2brl h SER 269 CO 0.32 0.00 0.36 0.29 -0.87 0.00 0.00 176.83 176.93 2brl n LYS 270 N -2.64 2.23 -2.37 4.77 4.76 -1.26 -4.95 118.16 118.70 2brl n LYS 270 Ca -0.02 -3.18 -0.11 0.00 -2.87 0.00 0.00 58.31 52.14 2brl n LYS 270 Cb 0.09 -2.08 -0.01 0.00 -1.84 0.00 0.00 35.03 31.20 2brl n LYS 270 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2brl n GLY 271 N -1.09 -0.40 3.86 0.72 0.00 -0.78 -4.98 105.19 102.52 2brl n GLY 271 Ca 0.50 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 2brl n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2brl s GLN 272 N -4.88 3.19 -0.59 1.61 -0.21 -1.26 -4.87 119.66 112.65 2brl s GLN 272 Ca 0.00 -0.55 -0.27 0.00 0.02 0.00 0.00 55.36 54.56 2brl s GLN 272 Cb 0.00 -2.90 0.03 0.00 1.00 0.00 0.00 33.01 31.14 2brl s GLN 272 CO 0.00 0.59 1.16 1.21 -2.12 0.00 0.00 175.29 176.14 2brl s ASN 273 N -2.45 6.40 0.40 5.90 2.47 -1.26 -0.73 114.94 125.67 2brl s ASN 273 Ca 0.32 -0.03 0.22 0.00 0.42 0.00 0.00 52.86 53.80 2brl s ASN 273 Cb -0.13 -2.54 0.45 0.00 -1.45 0.00 0.00 41.25 37.59 2brl s ASN 273 CO 0.25 -1.48 1.63 0.00 -3.72 0.00 0.00 177.10 173.78 2brl n GLY 275 N 0.88 0.75 3.14 0.00 0.00 -1.22 -1.89 105.19 106.85 2brl n GLY 275 Ca 0.02 -1.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 2brl n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2brl s TYR 276 N -3.14 1.18 -0.09 1.61 5.04 -0.41 -0.89 117.35 120.66 2brl s TYR 276 Ca 0.00 -0.39 0.03 0.00 -2.44 0.00 0.00 57.07 54.27 2brl s TYR 276 Cb 0.00 -0.69 -0.02 0.00 0.35 0.00 0.00 41.96 41.60 2brl s TYR 276 CO 0.00 0.04 -0.17 0.50 -1.34 0.00 0.00 175.55 174.57 2brl s ARG 277 N -1.33 2.90 -0.14 4.97 3.52 0.03 -1.26 118.95 127.65 2brl s ARG 277 Ca -0.00 -0.76 0.17 0.00 -0.13 0.00 0.00 55.73 55.01 2brl s ARG 277 Cb -0.08 -2.41 0.43 0.00 -1.56 0.00 0.00 34.95 31.33 2brl s ARG 277 CO 0.01 0.37 1.19 0.54 -0.81 0.00 0.00 175.30 176.60 2brl n ARG 278 N 3.04 1.13 -1.87 5.12 1.74 -0.86 -1.47 116.66 123.49 2brl n ARG 278 Ca -0.18 -2.87 -0.01 0.00 -0.77 0.00 0.00 57.85 54.02 2brl n ARG 278 Cb 0.52 -1.03 -0.00 0.00 -1.02 0.00 0.00 32.46 30.93 2brl n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2brl s ARG 280 N -2.06 4.37 0.21 0.00 6.06 -0.97 -4.56 118.95 121.99 2brl s ARG 280 Ca 0.02 2.00 -0.30 0.00 -2.50 0.00 0.00 55.73 54.95 2brl s ARG 280 Cb 0.00 -3.25 -0.08 0.00 0.06 0.00 0.00 34.95 31.68 2brl s ARG 280 CO 0.01 -0.34 1.08 0.00 -2.50 0.00 0.00 175.30 173.56 2brl s ALA 281 N 0.77 3.37 -1.05 6.12 0.00 -1.26 -4.76 121.76 124.95 2brl s ALA 281 Ca 0.61 0.81 0.28 0.00 0.00 0.00 0.00 51.96 53.65 2brl s ALA 281 Cb -0.35 -3.33 1.05 0.00 0.00 0.00 0.00 23.12 20.50 2brl s ALA 281 CO 0.32 -0.14 1.79 -1.13 0.00 0.00 0.00 175.76 176.60 2brl n SER 282 N 1.98 0.16 -0.58 0.00 3.41 -1.25 -4.27 113.62 113.07 2brl n SER 282 Ca 0.01 0.22 0.05 0.00 -0.26 0.00 0.00 58.87 58.89 2brl n SER 282 Cb 0.46 -0.27 0.19 0.00 -0.26 0.00 0.00 64.21 64.33 2brl n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2brl n GLY 283 N 1.48 5.00 3.70 5.00 0.00 -0.64 -4.84 105.19 114.90 2brl n GLY 283 Ca 0.07 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.61 2brl n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2brl s VAL 284 N -3.14 2.95 0.23 1.61 -7.23 -1.26 -4.54 120.40 109.02 2brl s VAL 284 Ca 0.38 -1.78 -0.07 0.00 -1.81 0.00 0.00 61.98 58.70 2brl s VAL 284 Cb 0.35 -2.92 0.18 0.00 0.56 0.00 0.00 36.38 34.55 2brl s VAL 284 CO -0.03 -0.20 1.82 0.25 -0.31 0.00 0.00 175.10 176.63 2brl h LEU 285 N 1.64 1.10 -0.04 1.32 5.85 -1.95 -2.64 115.31 120.59 2brl h LEU 285 Ca -0.43 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.15 2brl h LEU 285 Cb 1.25 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2brl h LEU 285 CO 0.64 0.93 0.00 0.35 -0.34 0.00 0.00 178.44 180.02 2brl n THR 286 N -4.30 0.01 0.12 1.05 -2.24 -1.26 -4.34 114.28 103.31 2brl n THR 286 Ca 0.08 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 2brl n THR 286 Cb 0.15 -0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 68.06 2brl n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2brl h THR 287 N 0.07 0.87 -0.29 4.28 2.02 -1.76 0.16 112.91 118.27 2brl h THR 287 Ca 0.00 -0.31 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 2brl h THR 287 Cb 0.02 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2brl h THR 287 CO 0.00 0.07 -0.24 -1.28 0.37 0.00 0.00 175.52 174.45 2brl h SER 288 N -0.41 0.71 -0.26 4.18 0.87 -1.82 0.30 113.55 117.11 2brl h SER 288 Ca -0.03 -0.45 -0.12 0.00 -1.23 0.00 0.00 61.79 59.96 2brl h SER 288 Cb 0.32 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2brl h SER 288 CO 0.04 1.01 -0.32 0.00 -0.53 0.00 0.00 176.83 177.03 2brl h GLY 290 N 0.40 -0.23 0.66 0.00 0.00 -0.66 -0.79 103.07 102.46 2brl h GLY 290 Ca 0.03 0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.52 2brl h GLY 290 CO 0.08 -0.08 0.49 3.43 0.00 0.00 0.00 176.54 180.45 2brl h ASN 291 N -0.29 0.74 -0.12 0.19 2.35 -0.91 -0.49 115.58 117.06 2brl h ASN 291 Ca -0.02 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2brl h ASN 291 Cb 0.22 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 2brl h ASN 291 CO 0.04 0.46 0.02 0.74 -1.65 0.00 0.00 177.43 177.04 2brl h THR 292 N 0.87 1.21 -0.67 2.81 2.02 -1.20 0.02 112.91 117.97 2brl h THR 292 Ca 0.37 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2brl h THR 292 Cb 0.22 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 2brl h THR 292 CO -0.19 0.19 0.37 -0.07 0.37 0.00 0.00 175.52 176.19 2brl h LEU 293 N -0.03 0.82 0.02 2.58 3.38 -0.61 -0.31 115.31 121.16 2brl h LEU 293 Ca 0.04 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 2brl h LEU 293 Cb 0.28 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2brl h LEU 293 CO 0.00 0.65 -0.49 0.74 0.09 0.00 0.00 178.44 179.43 2brl h THR 294 N 0.93 1.50 0.06 0.22 2.02 -0.86 -1.15 112.91 115.62 2brl h THR 294 Ca 0.24 -2.13 0.02 0.00 0.77 0.00 0.00 66.41 65.31 2brl h THR 294 Cb 0.01 2.80 -0.03 0.00 -1.74 0.00 0.00 68.15 69.19 2brl h THR 294 CO -0.04 0.60 -0.17 0.00 0.37 0.00 0.00 175.52 176.28 2brl h TYR 296 N -0.31 0.63 -0.07 0.00 3.20 -1.05 0.20 116.97 119.58 2brl h TYR 296 Ca 0.03 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2brl h TYR 296 Cb 0.34 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 2brl h TYR 296 CO -0.19 0.11 0.01 1.25 -1.64 0.00 0.00 178.16 177.69 2brl h LEU 297 N 0.52 0.11 -0.39 2.82 5.85 -0.93 -0.35 115.31 122.94 2brl h LEU 297 Ca 0.45 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 2brl h LEU 297 Cb 0.67 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2brl h LEU 297 CO -0.40 0.37 -0.27 0.11 -0.34 0.00 0.00 178.44 177.91 2brl h LYS 298 N -0.15 0.87 -0.55 1.25 1.57 -1.05 -2.48 116.57 116.03 2brl h LYS 298 Ca 0.02 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.32 2brl h LYS 298 Cb 0.30 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2brl h LYS 298 CO 0.00 1.06 0.10 0.00 -0.57 0.00 0.00 179.45 180.04 2brl h ALA 299 N 0.79 0.73 -0.71 3.86 0.00 -0.61 0.91 119.26 124.21 2brl h ALA 299 Ca 0.08 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2brl h ALA 299 Cb 0.84 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2brl h ALA 299 CO 0.07 0.46 0.17 0.77 0.00 0.00 0.00 179.25 180.73 2brl h SER 300 N 0.79 1.09 -0.72 0.00 0.02 -1.02 0.11 113.55 113.81 2brl h SER 300 Ca 0.17 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 2brl h SER 300 Cb 0.40 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2brl h SER 300 CO 0.01 1.04 0.24 0.00 -1.14 0.00 0.00 176.83 176.99 2brl h ALA 301 N 1.09 0.94 -0.13 3.77 0.00 -1.40 -2.71 119.26 120.83 2brl h ALA 301 Ca 0.22 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2brl h ALA 301 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2brl h ALA 301 CO 0.00 0.61 -0.42 0.00 0.00 0.00 0.00 179.25 179.44 2brl h ALA 302 N 1.12 1.05 -0.65 0.00 0.00 -0.53 -2.27 119.26 117.97 2brl h ALA 302 Ca 0.24 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2brl h ALA 302 Cb 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2brl h ALA 302 CO -0.01 0.61 0.42 0.00 0.00 0.00 0.00 179.25 180.26 2brl h ARG 304 N 0.89 0.88 -0.34 0.00 3.08 -1.14 -1.33 114.38 116.42 2brl h ARG 304 Ca 0.24 -0.57 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 2brl h ARG 304 Cb -0.07 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2brl h ARG 304 CO -0.05 1.20 0.21 0.00 -1.07 0.00 0.00 179.97 180.26 2brl h ALA 305 N 0.68 0.44 0.00 0.04 0.00 -1.35 -2.61 119.26 116.46 2brl h ALA 305 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2brl h ALA 305 Cb 1.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2brl h ALA 305 CO 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2brl n ALA 306 N -2.22 1.69 -3.63 0.00 0.00 -0.75 -4.92 120.51 110.68 2brl n ALA 306 Ca -0.01 0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.25 2brl n ALA 306 Cb 0.06 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.19 2brl n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2brl n LYS 307 N -2.16 -7.18 -2.33 0.00 5.02 -0.54 -4.85 118.16 106.12 2brl n LYS 307 Ca 0.02 0.78 -0.40 0.00 -2.02 0.00 0.00 58.31 56.69 2brl n LYS 307 Cb 0.23 -5.78 -0.03 0.00 -0.02 0.00 0.00 35.03 29.42 2brl n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2brl s LEU 308 N -7.26 4.49 -0.09 -0.35 1.43 -0.94 -5.01 118.68 110.95 2brl s LEU 308 Ca 0.59 2.44 -0.16 0.00 -1.03 0.00 0.00 54.13 55.96 2brl s LEU 308 Cb -0.27 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.25 2brl s LEU 308 CO 0.73 -0.32 0.42 -1.58 0.23 0.00 0.00 176.35 175.82 2brl s GLN 309 N -1.62 4.20 -1.11 1.70 0.74 -1.26 -4.49 119.66 117.82 2brl s GLN 309 Ca 0.47 0.36 -0.20 0.00 0.05 0.00 0.00 55.36 56.03 2brl s GLN 309 Cb -0.35 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.38 2brl s GLN 309 CO 0.46 0.33 0.78 -3.47 -0.55 0.00 0.00 175.29 172.83 2brl n ASP 310 N 3.12 -5.36 -4.74 6.67 2.03 -1.26 -1.02 116.55 115.98 2brl n ASP 310 Ca -0.10 -0.99 -0.40 0.00 0.52 0.00 0.00 54.79 53.81 2brl n ASP 310 Cb 0.52 -3.27 -0.05 0.00 -0.72 0.00 0.00 41.12 37.60 2brl n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2brl s THR 312 N 0.19 1.07 0.03 0.00 2.01 -0.22 -5.00 115.64 113.72 2brl s THR 312 Ca 0.40 -0.54 0.09 0.00 0.31 0.00 0.00 61.69 61.95 2brl s THR 312 Cb -0.20 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 2brl s THR 312 CO 0.23 0.31 -0.26 -0.04 -0.69 0.00 0.00 174.62 174.17 2brl s MET 313 N -0.04 1.84 -0.12 4.92 -1.94 -1.26 -0.94 119.30 121.76 2brl s MET 313 Ca -0.00 -1.06 0.01 0.00 -1.71 0.00 0.00 55.69 52.92 2brl s MET 313 Cb -0.08 -1.96 0.02 0.00 2.01 0.00 0.00 34.83 34.82 2brl s MET 313 CO 0.01 0.51 -0.12 -1.17 -0.01 0.00 0.00 175.02 174.24 2brl s LEU 314 N -1.11 1.52 -0.11 -0.03 2.96 -0.08 -4.14 118.68 117.69 2brl s LEU 314 Ca 0.11 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2brl s LEU 314 Cb -0.10 -1.02 0.02 0.00 0.50 0.00 0.00 46.19 45.59 2brl s LEU 314 CO 0.01 -0.05 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.15 2brl s VAL 315 N 1.38 1.46 -0.28 1.68 1.01 -0.50 -1.21 120.40 123.94 2brl s VAL 315 Ca 0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2brl s VAL 315 Cb -0.13 -1.34 0.08 0.00 0.00 0.00 0.00 36.38 34.99 2brl s VAL 315 CO -0.07 0.43 0.06 0.20 0.00 0.00 0.00 175.10 175.72 2brl s ASN 316 N 1.04 3.82 1.98 3.32 -0.87 -0.69 -0.73 114.94 122.80 2brl s ASN 316 Ca -0.06 -1.43 0.00 0.00 -1.57 0.00 0.00 52.86 49.81 2brl s ASN 316 Cb -0.15 -0.91 0.00 0.00 -0.02 0.00 0.00 41.25 40.17 2brl s ASN 316 CO -0.02 -0.36 0.00 0.61 -2.57 0.00 0.00 177.10 174.76 2brl n GLY 317 N 4.82 4.25 1.11 0.66 0.00 -1.26 -1.77 105.19 112.99 2brl n GLY 317 Ca -0.05 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.19 2brl n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2brl n ASP 318 N 8.17 3.46 -4.65 1.61 5.75 -1.26 -3.99 116.55 125.64 2brl n ASP 318 Ca 0.00 -1.97 -0.42 0.00 -0.01 0.00 0.00 54.79 52.39 2brl n ASP 318 Cb 0.00 -0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 39.75 2brl n ASP 318 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2brl s ASP 319 N -1.25 6.95 -0.05 -1.12 1.11 -0.73 -3.90 116.67 117.68 2brl s ASP 319 Ca 0.38 1.19 0.04 0.00 0.18 0.00 0.00 52.55 54.34 2brl s ASP 319 Cb 0.21 -2.48 0.00 0.00 1.07 0.00 0.00 42.92 41.73 2brl s ASP 319 CO 0.29 -0.54 -0.16 -0.22 1.18 0.00 0.00 175.17 175.72 2brl s LEU 320 N 2.78 1.86 -0.08 1.23 2.96 -0.66 -1.71 118.68 125.07 2brl s LEU 320 Ca 0.39 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2brl s LEU 320 Cb -0.16 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 2brl s LEU 320 CO 0.08 0.12 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.41 2brl s VAL 321 N 0.24 3.07 -0.06 1.68 1.01 -0.35 -1.21 120.40 124.78 2brl s VAL 321 Ca -0.08 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.26 2brl s VAL 321 Cb -0.13 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2brl s VAL 321 CO 0.03 0.57 -0.23 -0.69 0.00 0.00 0.00 175.10 174.78 2brl s VAL 322 N -0.34 2.23 -0.06 2.92 1.01 -0.41 -0.91 120.40 124.83 2brl s VAL 322 Ca 0.03 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2brl s VAL 322 Cb -0.13 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.43 2brl s VAL 322 CO 0.02 0.57 -0.15 -0.63 0.00 0.00 0.00 175.10 174.91 2brl s ILE 323 N -0.16 1.34 0.37 2.22 1.01 -0.11 -1.41 121.20 124.45 2brl s ILE 323 Ca -0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 2brl s ILE 323 Cb -0.14 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.16 2brl s ILE 323 CO 0.04 0.40 0.53 0.00 0.00 0.00 0.00 174.94 175.90 2brl s GLU 325 N -2.76 4.23 0.31 0.00 0.41 -0.19 -1.57 118.70 119.12 2brl s GLU 325 Ca 0.29 1.26 -0.29 0.00 -0.41 0.00 0.00 54.97 55.82 2brl s GLU 325 Cb -0.01 -3.65 -0.13 0.00 -1.78 0.00 0.00 34.13 28.56 2brl s GLU 325 CO 0.21 -0.63 1.27 0.45 -0.49 0.00 0.00 175.26 176.06 2brl n SER 326 N 6.31 2.51 -1.00 -0.19 2.88 0.46 -4.47 113.62 120.12 2brl n SER 326 Ca 0.11 1.19 0.08 0.00 -1.33 0.00 0.00 58.87 58.91 2brl n SER 326 Cb 0.46 -1.44 0.25 0.00 -0.75 0.00 0.00 64.21 62.74 2brl n SER 326 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2brl n ALA 327 N 0.71 2.75 0.00 -1.46 0.00 -1.26 -4.90 120.51 116.35 2brl n ALA 327 Ca 0.07 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.80 2brl n ALA 327 Cb 0.34 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2brl n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2brl n GLY 328 N 0.29 2.29 0.26 0.00 0.00 -1.26 -4.68 105.19 102.09 2brl n GLY 328 Ca 0.19 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 2brl n GLY 328 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2brl h THR 329 N 0.00 0.50 -0.01 2.61 2.02 -1.99 -0.22 112.91 115.82 2brl h THR 329 Ca 0.00 -0.40 -0.14 0.00 0.77 0.00 0.00 66.41 66.64 2brl h THR 329 Cb 0.00 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2brl h THR 329 CO 0.00 0.06 -0.65 1.56 0.37 0.00 0.00 175.52 176.87 2brl h GLN 330 N -0.85 0.06 -0.57 6.66 1.08 -1.99 -2.25 115.11 117.24 2brl h GLN 330 Ca -0.06 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 2brl h GLN 330 Cb 0.56 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 2brl h GLN 330 CO 0.10 0.68 0.16 0.93 -0.95 0.00 0.00 178.83 179.76 2brl h GLU 331 N 0.04 0.90 -0.16 1.46 3.07 -1.81 -2.21 114.58 115.86 2brl h GLU 331 Ca -0.01 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 58.60 2brl h GLU 331 Cb 1.15 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 2brl h GLU 331 CO 0.09 0.82 -0.09 -0.44 -1.40 0.00 0.00 179.01 177.98 2brl h ASP 332 N 0.81 0.36 -0.42 1.42 3.32 -0.92 -0.97 116.42 120.02 2brl h ASP 332 Ca 0.18 -0.43 0.06 0.00 0.02 0.00 0.00 57.03 56.86 2brl h ASP 332 Cb 0.31 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 2brl h ASP 332 CO -0.00 0.71 0.13 0.00 -1.72 0.00 0.00 179.24 178.36 2brl h ALA 333 N 0.67 0.49 -0.75 3.45 0.00 -1.38 -1.47 119.26 120.26 2brl h ALA 333 Ca 0.03 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2brl h ALA 333 Cb 0.58 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2brl h ALA 333 CO 0.03 -0.26 0.25 0.00 0.00 0.00 0.00 179.25 179.26 2brl h ALA 334 N 1.29 1.02 -0.16 0.00 0.00 -1.36 -2.66 119.26 117.38 2brl h ALA 334 Ca 0.20 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2brl h ALA 334 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2brl h ALA 334 CO -0.22 0.67 -0.15 0.66 0.00 0.00 0.00 179.25 180.21 2brl h SER 335 N 1.11 0.25 0.47 0.00 4.64 -0.67 -1.71 113.55 117.64 2brl h SER 335 Ca 0.24 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.34 2brl h SER 335 Cb 0.29 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2brl h SER 335 CO -0.01 0.42 -0.74 -0.07 -0.87 0.00 0.00 176.83 175.56 2brl h LEU 336 N 0.24 0.27 -0.79 5.97 4.07 -1.05 -1.58 115.31 122.45 2brl h LEU 336 Ca 0.05 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.78 2brl h LEU 336 Cb 0.42 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 2brl h LEU 336 CO 0.03 0.92 0.33 0.03 -1.08 0.00 0.00 178.44 178.66 2brl h ARG 337 N 0.15 1.16 -0.22 1.13 3.08 -1.10 -0.18 114.38 118.41 2brl h ARG 337 Ca -0.03 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.70 2brl h ARG 337 Cb 1.31 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 2brl h ARG 337 CO 0.11 0.94 -0.38 0.28 -1.07 0.00 0.00 179.97 179.85 2brl h VAL 338 N 1.13 1.30 0.23 2.04 2.07 -1.14 -0.53 116.25 121.36 2brl h VAL 338 Ca 0.26 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 2brl h VAL 338 Cb 0.19 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2brl h VAL 338 CO -0.02 0.48 -0.11 0.15 0.02 0.00 0.00 177.57 178.08 2brl h PHE 339 N 0.41 -0.29 -0.97 1.57 3.57 -1.11 -1.06 116.94 119.05 2brl h PHE 339 Ca 0.04 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2brl h PHE 339 Cb 0.85 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 2brl h PHE 339 CO 0.03 -0.04 0.62 1.15 -2.23 0.00 0.00 178.31 177.84 2brl h THR 340 N -0.51 1.07 -0.10 4.41 2.02 -0.96 -0.78 112.91 118.07 2brl h THR 340 Ca -0.03 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 2brl h THR 340 Cb 0.38 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 2brl h THR 340 CO 0.05 0.21 0.05 -0.33 0.37 0.00 0.00 175.52 175.87 2brl h GLU 341 N 1.13 0.14 -0.67 6.66 5.08 -0.95 -0.59 114.58 125.37 2brl h GLU 341 Ca 0.42 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.80 2brl h GLU 341 Cb 0.18 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2brl h GLU 341 CO -0.18 0.19 0.41 0.00 -1.00 0.00 0.00 179.01 178.43 2brl h ALA 342 N 0.94 0.88 -0.84 3.43 0.00 -0.88 -1.28 119.26 121.51 2brl h ALA 342 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2brl h ALA 342 Cb 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2brl h ALA 342 CO -0.00 0.15 0.43 0.52 0.00 0.00 0.00 179.25 180.35 2brl h MET 343 N 0.79 1.19 -0.62 0.00 2.86 -0.95 -2.46 114.93 115.74 2brl h MET 343 Ca 0.28 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 2brl h MET 343 Cb 0.06 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 2brl h MET 343 CO -0.12 0.89 0.23 1.15 1.06 0.00 0.00 176.91 180.12 2brl h THR 344 N 1.18 1.24 -0.54 2.22 2.02 -0.58 0.04 112.91 118.49 2brl h THR 344 Ca 0.29 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.75 2brl h THR 344 Cb 0.07 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2brl h THR 344 CO -0.04 0.29 0.36 0.03 0.37 0.00 0.00 175.52 176.53 2brl h ARG 345 N 0.87 0.60 -0.00 6.66 3.08 -1.06 -1.64 114.38 122.90 2brl h ARG 345 Ca 0.21 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2brl h ARG 345 Cb 0.23 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2brl h ARG 345 CO -0.01 0.40 -0.00 0.66 -1.07 0.00 0.00 179.97 179.94 2brl n TYR 346 N -4.47 0.00 0.00 3.04 4.01 -0.92 -1.56 117.16 117.26 2brl n TYR 346 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2brl n TYR 346 Cb 0.14 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 2brl n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2brl n SER 347 N -0.79 0.00 -3.89 7.72 2.88 -0.61 -4.91 113.62 114.01 2brl n SER 347 Ca 0.22 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.47 2brl n SER 347 Cb 0.16 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.52 2brl n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2brl n ALA 348 N -1.30 3.62 -1.32 -1.46 0.00 -0.05 -4.79 120.51 115.21 2brl n ALA 348 Ca 0.00 -4.59 -0.31 0.00 0.00 0.00 0.00 53.44 48.54 2brl n ALA 348 Cb 0.00 -1.19 0.08 0.00 0.00 0.00 0.00 19.45 18.34 2brl n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2brl s PRO 349 N -1.61 2.40 0.24 0.00 0.04 -1.26 -3.87 135.00 130.93 2brl s PRO 349 Ca 0.28 1.19 -0.04 0.00 0.04 0.00 0.00 61.00 62.47 2brl s PRO 349 Cb -0.02 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2brl s PRO 349 CO -0.14 -1.54 0.48 -1.25 0.04 0.00 0.00 177.00 174.60 2brl s PRO 350 N -4.77 3.61 0.16 0.56 0.04 -1.26 -1.46 135.00 131.87 2brl s PRO 350 Ca 0.62 -0.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.44 2brl s PRO 350 Cb -0.17 -2.73 0.04 0.00 0.04 0.00 0.00 34.50 31.68 2brl s PRO 350 CO 0.53 0.31 1.68 0.78 0.04 0.00 0.00 177.00 180.34 2brl h GLY 351 N 1.98 0.88 -4.96 0.56 0.00 -1.69 -3.41 103.07 96.43 2brl h GLY 351 Ca -0.47 -0.53 -0.40 0.00 0.00 0.00 0.00 47.33 45.92 2brl h GLY 351 CO 0.68 0.50 -0.78 0.99 0.00 0.00 0.00 176.54 177.92 2brl s ASP 352 N -6.13 1.29 0.31 0.19 -0.00 -1.26 -5.00 116.67 106.08 2brl s ASP 352 Ca -0.13 -0.33 -0.29 0.00 -0.00 0.00 0.00 52.55 51.80 2brl s ASP 352 Cb 0.12 -0.10 -0.11 0.00 -0.00 0.00 0.00 42.92 42.83 2brl s ASP 352 CO 0.79 0.05 1.49 -2.84 -0.00 0.00 0.00 175.17 174.66 2brl s PRO 353 N -0.74 4.18 0.45 8.23 0.02 -1.26 -4.81 135.00 141.08 2brl s PRO 353 Ca 0.01 2.46 -0.24 0.00 0.02 0.00 0.00 61.00 63.25 2brl s PRO 353 Cb -0.06 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.35 2brl s PRO 353 CO 0.00 -0.50 1.26 -1.25 -0.33 0.00 0.00 177.00 176.18 2brl s PRO 354 N -1.00 3.72 -0.07 5.54 0.04 -1.26 -5.04 135.00 136.92 2brl s PRO 354 Ca 0.58 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.68 2brl s PRO 354 Cb -0.45 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 2brl s PRO 354 CO 0.51 -0.66 -0.19 -1.14 0.04 0.00 0.00 177.00 175.56 2brl s GLN 355 N -2.55 2.75 0.39 4.56 2.00 -1.26 -4.96 119.66 120.59 2brl s GLN 355 Ca 0.62 -0.79 -0.27 0.00 -2.00 0.00 0.00 55.36 52.92 2brl s GLN 355 Cb -0.35 -2.34 -0.10 0.00 0.80 0.00 0.00 33.01 31.02 2brl s GLN 355 CO 0.43 0.41 1.41 -2.14 -0.50 0.00 0.00 175.29 174.90 2brl s PRO 356 N -0.20 4.02 -0.01 1.67 0.02 -1.26 -4.56 135.00 134.68 2brl s PRO 356 Ca -0.01 2.40 0.03 0.00 0.02 0.00 0.00 61.00 63.44 2brl s PRO 356 Cb -0.13 -2.87 -0.01 0.00 0.02 0.00 0.00 34.50 31.51 2brl s PRO 356 CO 0.03 -0.54 -0.10 -1.21 -0.33 0.00 0.00 177.00 174.85 2brl s GLU 357 N -2.16 0.88 0.00 5.54 0.41 -0.07 -4.97 118.70 118.33 2brl s GLU 357 Ca 0.55 -0.37 0.09 0.00 -0.41 0.00 0.00 54.97 54.83 2brl s GLU 357 Cb -0.43 -0.84 0.17 0.00 -1.78 0.00 0.00 34.13 31.25 2brl s GLU 357 CO 0.57 0.21 1.02 0.66 -0.49 0.00 0.00 175.26 177.23 2brl n TYR 358 N 2.90 0.21 -3.91 1.61 4.02 -1.26 -1.74 117.16 118.99 2brl n TYR 358 Ca -0.14 -0.28 -0.27 0.00 -0.01 0.00 0.00 57.90 57.20 2brl n TYR 358 Cb 0.56 -0.02 -0.17 0.00 -0.02 0.00 0.00 39.34 39.69 2brl n TYR 358 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2brl s ASP 359 N -0.89 2.37 0.37 7.72 -1.08 -1.26 -5.00 116.67 118.91 2brl s ASP 359 Ca 0.15 -0.40 0.11 0.00 -0.52 0.00 0.00 52.55 51.89 2brl s ASP 359 Cb 0.09 -0.88 0.88 0.00 -1.46 0.00 0.00 42.92 41.55 2brl s ASP 359 CO 0.12 -0.13 1.88 0.25 0.52 0.00 0.00 175.17 177.81 2brl h LEU 360 N 8.16 0.59 -2.58 -1.34 6.46 -1.96 -2.08 115.31 122.55 2brl h LEU 360 Ca -0.29 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 2brl h LEU 360 Cb 1.13 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2brl h LEU 360 CO 0.41 0.30 0.00 -0.08 -0.62 0.00 0.00 178.44 178.45 2brl h GLU 361 N 0.62 0.00 -0.04 1.25 4.81 -1.96 -2.58 114.58 116.68 2brl h GLU 361 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 2brl h GLU 361 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2brl h GLU 361 CO -0.19 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.37 2brl n LEU 362 N -3.69 1.95 -4.55 1.64 4.77 -0.78 -4.61 117.00 111.73 2brl n LEU 362 Ca -0.03 -0.67 -0.41 0.00 -0.03 0.00 0.00 56.01 54.87 2brl n LEU 362 Cb 0.08 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2brl n LEU 362 CO 0.26 0.33 0.22 -0.63 -1.33 0.00 0.00 177.39 176.24 2brl s ILE 363 N -1.97 5.02 -0.18 -0.08 1.01 -0.97 -5.04 121.20 118.98 2brl s ILE 363 Ca 0.35 0.29 -0.03 0.00 0.00 0.00 0.00 60.65 61.26 2brl s ILE 363 Cb 0.21 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2brl s ILE 363 CO 0.32 -0.23 -0.04 -0.89 0.00 0.00 0.00 174.94 174.10 2brl s THR 364 N 2.38 3.62 -0.08 2.92 2.01 -1.26 -4.49 115.64 120.74 2brl s THR 364 Ca 0.18 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 2brl s THR 364 Cb -0.16 -2.61 0.04 0.00 0.01 0.00 0.00 72.50 69.79 2brl s THR 364 CO 0.13 0.46 0.46 -0.55 -0.69 0.00 0.00 174.62 174.43 2brl s SER 365 N 0.83 -0.41 -1.46 3.53 0.15 -0.54 -4.75 113.70 111.06 2brl s SER 365 Ca -0.01 0.55 -0.11 0.00 0.70 0.00 0.00 55.95 57.07 2brl s SER 365 Cb -0.15 0.60 0.08 0.00 -1.71 0.00 0.00 66.02 64.84 2brl s SER 365 CO 0.02 -0.39 0.73 0.00 1.20 0.00 0.00 173.24 174.80 2brl n SER 367 N -2.57 -5.54 -4.32 0.00 7.64 -1.26 -4.96 113.62 102.61 2brl n SER 367 Ca 0.00 0.09 -0.17 0.00 1.01 0.00 0.00 58.87 59.80 2brl n SER 367 Cb 0.54 -3.55 -0.10 0.00 -1.01 0.00 0.00 64.21 60.09 2brl n SER 367 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2brl s SER 368 N -2.02 2.11 0.10 6.43 1.04 -0.65 -4.36 113.70 116.36 2brl s SER 368 Ca 0.00 -1.10 -0.09 0.00 0.48 0.00 0.00 55.95 55.25 2brl s SER 368 Cb 0.00 -0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.06 2brl s SER 368 CO 0.00 -0.35 0.21 0.54 0.98 0.00 0.00 173.24 174.62 2brl s ASN 369 N -3.28 0.10 0.16 7.02 4.22 -0.08 -1.47 114.94 121.63 2brl s ASN 369 Ca 0.23 -0.70 -0.25 0.00 -2.14 0.00 0.00 52.86 50.00 2brl s ASN 369 Cb 0.03 0.36 -0.08 0.00 1.28 0.00 0.00 41.25 42.84 2brl s ASN 369 CO 0.06 -0.76 0.78 -0.69 -2.04 0.00 0.00 177.10 174.45 2brl s VAL 370 N -3.88 4.37 0.28 3.54 1.01 -1.26 -1.13 120.40 123.33 2brl s VAL 370 Ca 0.08 1.71 0.03 0.00 0.00 0.00 0.00 61.98 63.80 2brl s VAL 370 Cb 0.05 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2brl s VAL 370 CO -0.09 0.52 0.26 -0.55 0.00 0.00 0.00 175.10 175.24 2brl s SER 371 N -1.10 1.00 0.05 3.32 0.15 -0.45 -4.33 113.70 112.34 2brl s SER 371 Ca 0.36 -1.57 0.08 0.00 0.70 0.00 0.00 55.95 55.51 2brl s SER 371 Cb -0.23 0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 2brl s SER 371 CO 0.26 -1.02 -0.21 0.68 1.20 0.00 0.00 173.24 174.15 2brl s VAL 372 N -3.66 1.71 0.01 4.45 -7.23 -1.26 -1.75 120.40 112.66 2brl s VAL 372 Ca 0.38 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 2brl s VAL 372 Cb 0.03 -1.49 -0.00 0.00 0.56 0.00 0.00 36.38 35.49 2brl s VAL 372 CO 0.21 0.20 0.01 0.00 -0.31 0.00 0.00 175.10 175.20 2brl n ALA 373 N 1.78 0.00 -2.51 1.32 0.00 -0.39 -2.80 120.51 117.92 2brl n ALA 373 Ca -0.17 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 52.98 2brl n ALA 373 Cb 0.53 0.03 -0.15 0.00 0.00 0.00 0.00 19.45 19.85 2brl n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2brl s HIS 374 N -3.86 1.60 0.00 0.00 3.76 -0.15 -0.44 115.29 116.19 2brl s HIS 374 Ca 0.01 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2brl s HIS 374 Cb 0.00 -1.03 0.00 0.00 1.11 0.00 0.00 32.58 32.66 2brl s HIS 374 CO 0.00 -0.03 0.00 -0.40 -0.85 0.00 0.00 174.74 173.46 2brl n ASP 375 N 2.67 0.00 -0.04 1.40 5.68 -0.41 -0.86 116.55 125.00 2brl n ASP 375 Ca -0.15 -0.90 -0.11 0.00 -0.50 0.00 0.00 54.79 53.13 2brl n ASP 375 Cb 0.54 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.47 2brl n ASP 375 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2brl h ALA 376 N -1.26 0.20 0.00 2.12 0.00 -1.90 -1.79 119.26 116.62 2brl h ALA 376 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2brl h ALA 376 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2brl h ALA 376 CO 0.00 -0.23 0.00 -1.13 0.00 0.00 0.00 179.25 177.89 2brl n SER 377 N -4.89 0.00 0.00 0.00 3.41 -1.26 -4.86 113.62 106.03 2brl n SER 377 Ca -0.05 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2brl n SER 377 Cb 0.11 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2brl n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2brl n GLY 378 N -0.53 0.66 3.74 5.00 0.00 -0.67 -5.05 105.19 108.34 2brl n GLY 378 Ca 0.04 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2brl n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2brl s LYS 379 N -0.43 4.51 0.31 1.61 2.20 -1.26 -4.75 119.74 121.93 2brl s LYS 379 Ca 0.00 1.88 -0.30 0.00 -0.36 0.00 0.00 55.97 57.20 2brl s LYS 379 Cb 0.00 -3.22 -0.12 0.00 -1.51 0.00 0.00 37.83 32.98 2brl s LYS 379 CO 0.00 -0.04 1.57 0.54 -0.36 0.00 0.00 175.35 177.06 2brl n ARG 380 N 2.16 2.67 -3.95 4.03 1.74 -1.26 -1.28 116.66 120.76 2brl n ARG 380 Ca 0.03 0.95 -0.18 0.00 -0.77 0.00 0.00 57.85 57.88 2brl n ARG 380 Cb 0.44 -2.72 -0.16 0.00 -1.02 0.00 0.00 32.46 29.01 2brl n ARG 380 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2brl s VAL 381 N -0.20 0.26 -0.04 1.55 1.01 0.41 -4.87 120.40 118.52 2brl s VAL 381 Ca 0.62 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 2brl s VAL 381 Cb -0.50 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2brl s VAL 381 CO 0.51 0.17 0.21 -0.31 0.00 0.00 0.00 175.10 175.68 2brl s TYR 382 N 1.12 3.58 0.11 5.22 1.51 -1.26 -1.26 117.35 126.37 2brl s TYR 382 Ca -0.08 0.51 -0.13 0.00 -1.01 0.00 0.00 57.07 56.36 2brl s TYR 382 Cb -0.14 -1.93 0.02 0.00 -0.11 0.00 0.00 41.96 39.80 2brl s TYR 382 CO -0.02 0.67 0.31 1.52 -1.11 0.00 0.00 175.55 176.92 2brl s TYR 383 N -1.21 -0.05 -0.10 2.71 -0.85 -0.72 -4.98 117.35 112.16 2brl s TYR 383 Ca 0.23 -0.31 -0.15 0.00 -0.52 0.00 0.00 57.07 56.32 2brl s TYR 383 Cb -0.13 0.12 -0.05 0.00 0.38 0.00 0.00 41.96 42.28 2brl s TYR 383 CO 0.13 -0.63 0.36 -1.17 -1.52 0.00 0.00 175.55 172.72 2brl s LEU 384 N -2.81 4.34 0.00 -3.49 2.96 -1.26 -1.34 118.68 117.07 2brl s LEU 384 Ca 0.04 0.73 0.05 0.00 -0.22 0.00 0.00 54.13 54.72 2brl s LEU 384 Cb 0.03 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 2brl s LEU 384 CO -0.11 0.17 0.20 1.07 -1.32 0.00 0.00 176.35 176.35 2brl n THR 385 N 2.93 0.00 -3.78 3.68 5.66 -0.28 -4.76 114.28 117.72 2brl n THR 385 Ca -0.12 -1.99 -0.07 0.00 -3.05 0.00 0.00 64.05 58.82 2brl n THR 385 Cb 0.52 0.91 -0.02 0.00 -1.55 0.00 0.00 70.33 70.19 2brl n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2brl s ARG 386 N -3.17 1.55 0.00 1.09 1.70 -1.26 -0.90 118.95 117.97 2brl s ARG 386 Ca 0.28 -0.83 -0.32 0.00 -0.47 0.00 0.00 55.73 54.39 2brl s ARG 386 Cb 0.01 0.55 -0.11 0.00 -0.57 0.00 0.00 34.95 34.84 2brl s ARG 386 CO 0.20 -0.71 1.90 -3.47 -1.08 0.00 0.00 175.30 172.14 2brl n ASP 387 N -0.45 3.81 0.00 -2.89 -0.08 -1.26 -4.89 116.55 110.79 2brl n ASP 387 Ca -0.06 0.95 0.14 0.00 -1.51 0.00 0.00 54.79 54.31 2brl n ASP 387 Cb 0.60 -1.46 0.81 0.00 2.34 0.00 0.00 41.12 43.41 2brl n ASP 387 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2brl n PRO 388 N 6.70 0.80 0.08 -0.67 -0.05 -1.26 -4.38 135.00 136.22 2brl n PRO 388 Ca 0.21 0.01 -0.04 0.00 -0.05 0.00 0.00 63.50 63.62 2brl n PRO 388 Cb 0.35 -1.50 -0.02 0.00 -0.05 0.00 0.00 33.50 32.28 2brl n PRO 388 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 2brl h THR 389 N 0.00 0.00 -0.16 0.52 2.02 -1.95 -1.19 112.91 112.15 2brl h THR 389 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2brl h THR 389 Cb 0.04 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.41 2brl h THR 389 CO 0.00 0.00 -0.11 0.74 0.37 0.00 0.00 175.52 176.52 2brl h THR 390 N -0.26 0.67 -0.89 3.16 2.02 -1.98 -1.29 112.91 114.34 2brl h THR 390 Ca -0.02 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.33 2brl h THR 390 Cb 0.22 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.23 2brl h THR 390 CO 0.00 0.00 0.58 -0.65 0.37 0.00 0.00 175.52 175.82 2brl h PRO 391 N -0.11 0.55 -0.19 6.66 0.11 -1.82 -0.49 132.00 136.72 2brl h PRO 391 Ca 0.10 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.05 2brl h PRO 391 Cb 0.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2brl h PRO 391 CO -0.23 0.36 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.49 2brl h LEU 392 N 0.57 0.64 -0.81 2.35 3.38 -0.58 -1.74 115.31 119.13 2brl h LEU 392 Ca 0.46 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2brl h LEU 392 Cb 0.92 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2brl h LEU 392 CO -0.20 1.07 0.52 0.00 0.09 0.00 0.00 178.44 179.92 2brl h ALA 393 N 0.59 1.02 -0.14 1.53 0.00 -0.91 -1.20 119.26 120.15 2brl h ALA 393 Ca 0.01 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2brl h ALA 393 Cb 0.96 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2brl h ALA 393 CO 0.08 0.45 -0.61 0.00 0.00 0.00 0.00 179.25 179.18 2brl h ARG 394 N 1.10 0.49 0.00 0.00 3.08 -1.00 -1.68 114.38 116.36 2brl h ARG 394 Ca 0.29 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 2brl h ARG 394 Cb -0.10 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2brl h ARG 394 CO -0.06 0.95 -0.41 0.00 -1.07 0.00 0.00 179.97 179.38 2brl h ALA 395 N 0.97 1.16 0.13 0.04 0.00 -0.93 -2.68 119.26 117.96 2brl h ALA 395 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2brl h ALA 395 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2brl h ALA 395 CO 0.11 0.51 -0.06 0.00 0.00 0.00 0.00 179.25 179.81 2brl h ALA 396 N 1.59 -0.18 -0.76 0.00 0.00 -0.36 -2.39 119.26 117.16 2brl h ALA 396 Ca -0.00 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 54.92 2brl h ALA 396 Cb 0.81 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 2brl h ALA 396 CO 0.05 -0.44 0.05 2.35 0.00 0.00 0.00 179.25 181.26 2brl h TRP 397 N -0.49 0.03 -0.00 0.00 2.91 -1.34 -1.49 115.95 115.58 2brl h TRP 397 Ca -0.02 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.06 2brl h TRP 397 Cb 0.39 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 2brl h TRP 397 CO 0.03 -0.22 0.00 0.39 -1.03 0.00 0.00 178.44 177.61 2brl n GLU 398 N -5.31 1.00 0.09 2.65 1.02 -1.01 -1.13 120.64 117.94 2brl n GLU 398 Ca 0.14 -0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.09 2brl n GLU 398 Cb 0.49 -1.36 -0.15 0.00 -0.02 0.00 0.00 31.44 30.40 2brl n GLU 398 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2brl h THR 399 N 0.00 1.20 0.00 2.62 2.02 -0.75 -3.42 112.91 114.59 2brl h THR 399 Ca 0.00 -2.77 0.00 0.00 0.77 0.00 0.00 66.41 64.41 2brl h THR 399 Cb 0.00 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2brl h THR 399 CO 0.00 0.84 -0.17 0.00 0.37 0.00 0.00 175.52 176.56 2brl h ALA 400 N 0.36 0.00 -3.00 6.16 0.00 -1.31 -3.48 119.26 117.99 2brl h ALA 400 Ca -0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2brl h ALA 400 Cb 2.06 0.17 0.00 0.00 0.00 0.00 0.00 17.79 20.02 2brl h ALA 400 CO 0.20 0.17 0.00 0.54 0.00 0.00 0.00 179.25 180.16 2brl n ARG 401 N -3.96 0.00 0.00 0.00 5.12 -0.29 -5.14 116.66 112.40 2brl n ARG 401 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 2brl n ARG 401 Cb 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.39 2brl n ARG 401 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2brl n HIS 402 N 0.00 0.00 -4.60 -1.55 -0.00 -1.26 -4.87 115.22 102.93 2brl n HIS 402 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 2brl n HIS 402 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 2brl n HIS 402 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2brl s THR 403 N -0.43 1.55 0.13 0.61 -4.23 -1.26 -5.05 115.64 106.96 2brl s THR 403 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 2brl s THR 403 Cb 0.00 -2.74 -0.16 0.00 1.34 0.00 0.00 72.50 70.95 2brl s THR 403 CO 0.00 0.00 1.33 -0.65 -0.54 0.00 0.00 174.62 174.76 2brl h PRO 404 N 1.76 0.57 0.01 3.99 0.11 -2.04 -3.40 132.00 133.01 2brl h PRO 404 Ca -0.43 -0.51 -0.22 0.00 0.11 0.00 0.00 66.00 64.95 2brl h PRO 404 Cb 1.26 0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.46 2brl h PRO 404 CO 0.75 1.14 -1.10 0.28 -0.21 0.00 0.00 178.00 178.87 2brl h VAL 405 N 0.36 1.61 -6.87 3.15 2.07 -1.96 -3.34 116.25 111.27 2brl h VAL 405 Ca -0.06 -3.32 -0.55 0.00 0.82 0.00 0.00 66.70 63.59 2brl h VAL 405 Cb 1.45 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 34.02 2brl h VAL 405 CO 0.16 0.92 -1.05 0.59 0.02 0.00 0.00 177.57 178.20 2brl n ASN 406 N -3.33 -4.36 -0.11 0.57 3.02 -1.26 -1.84 115.26 107.95 2brl n ASN 406 Ca -0.02 -1.14 0.25 0.00 -0.03 0.00 0.00 54.58 53.64 2brl n ASN 406 Cb 0.96 -1.56 0.71 0.00 -0.61 0.00 0.00 39.78 39.28 2brl n ASN 406 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2brl h SER 407 N -1.48 0.00 -0.41 6.41 4.64 -1.92 -2.08 113.55 118.72 2brl h SER 407 Ca -0.68 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.68 2brl h SER 407 Cb 1.39 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.44 2brl h SER 407 CO 0.44 0.00 0.19 4.11 -0.87 0.00 0.00 176.83 180.70 2brl h TRP 408 N 0.00 0.35 -0.06 4.77 5.08 -1.89 -1.52 115.95 122.68 2brl h TRP 408 Ca 0.36 0.02 -0.23 0.00 1.08 0.00 0.00 58.89 60.11 2brl h TRP 408 Cb 1.45 -0.10 0.01 0.00 -3.00 0.00 0.00 29.16 27.52 2brl h TRP 408 CO -0.00 0.17 -0.89 1.25 -1.28 0.00 0.00 178.44 177.69 2brl h LEU 409 N 0.39 0.81 -0.51 0.11 5.85 -1.74 -0.70 115.31 119.51 2brl h LEU 409 Ca 0.18 -0.59 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 2brl h LEU 409 Cb 0.11 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2brl h LEU 409 CO -0.14 1.38 0.31 1.23 -0.34 0.00 0.00 178.44 180.88 2brl h GLY 410 N 0.72 0.74 1.17 3.75 0.00 -1.43 -1.29 103.07 106.74 2brl h GLY 410 Ca -0.08 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2brl h GLY 410 CO 0.17 0.30 0.03 3.43 0.00 0.00 0.00 176.54 180.47 2brl h ASN 411 N 0.69 0.97 -0.70 0.19 2.35 -1.20 0.19 115.58 118.07 2brl h ASN 411 Ca 0.18 -0.25 0.07 0.00 -0.55 0.00 0.00 56.30 55.75 2brl h ASN 411 Cb -0.01 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.04 2brl h ASN 411 CO -0.03 1.01 0.39 0.40 -1.65 0.00 0.00 177.43 177.54 2brl h ILE 412 N 0.93 0.95 0.08 2.81 2.04 -0.90 -1.18 117.51 122.24 2brl h ILE 412 Ca 0.17 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2brl h ILE 412 Cb 0.49 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2brl h ILE 412 CO 0.02 0.13 -0.04 0.40 0.00 0.00 0.00 178.15 178.66 2brl h ILE 413 N 0.70 1.18 -0.01 -0.67 2.04 -0.56 -1.83 117.51 118.36 2brl h ILE 413 Ca 0.32 -1.04 -0.17 0.00 1.00 0.00 0.00 64.86 64.97 2brl h ILE 413 Cb 0.23 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 2brl h ILE 413 CO -0.20 0.25 -0.76 0.24 0.00 0.00 0.00 178.15 177.68 2brl h MET 414 N -0.59 0.07 -0.21 2.37 2.86 -0.60 -3.17 114.93 115.65 2brl h MET 414 Ca -0.01 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 2brl h MET 414 Cb 0.49 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 2brl h MET 414 CO 0.02 0.80 -0.07 0.66 1.06 0.00 0.00 176.91 179.38 2brl n TYR 415 N -3.68 0.71 -0.21 -0.22 4.02 -0.45 -4.80 117.16 112.53 2brl n TYR 415 Ca -0.02 -1.20 0.23 0.00 -0.01 0.00 0.00 57.90 56.90 2brl n TYR 415 Cb 0.73 -0.33 0.59 0.00 -0.02 0.00 0.00 39.34 40.31 2brl n TYR 415 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2brl h ALA 416 N 1.09 2.44 0.00 -0.72 0.00 -1.30 -0.24 119.26 120.53 2brl h ALA 416 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2brl h ALA 416 Cb 1.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2brl h ALA 416 CO 0.21 -0.72 0.00 -2.30 0.00 0.00 0.00 179.25 176.45 2brl n PRO 417 N -4.43 0.10 -2.46 0.00 -0.02 -1.26 -4.44 135.00 122.49 2brl n PRO 417 Ca 0.19 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.48 2brl n PRO 417 Cb 0.79 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.61 2brl n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2brl s THR 418 N -3.07 3.58 0.22 3.45 -4.23 -0.10 -4.96 115.64 110.53 2brl s THR 418 Ca 0.10 1.05 -0.08 0.00 -1.18 0.00 0.00 61.69 61.58 2brl s THR 418 Cb 0.14 -3.46 0.18 0.00 1.34 0.00 0.00 72.50 70.70 2brl s THR 418 CO 0.47 -0.15 1.72 0.25 -0.54 0.00 0.00 174.62 176.37 2brl h LEU 419 N 1.72 0.12 -0.96 4.79 6.46 -1.90 -2.61 115.31 122.94 2brl h LEU 419 Ca -0.49 0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.32 2brl h LEU 419 Cb 1.23 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.27 2brl h LEU 419 CO 0.59 0.06 -0.25 4.11 -0.62 0.00 0.00 178.44 182.33 2brl h TRP 420 N 0.34 0.00 0.15 1.25 5.08 -1.93 -2.08 115.95 118.76 2brl h TRP 420 Ca 0.34 0.00 -0.35 0.00 1.08 0.00 0.00 58.89 59.96 2brl h TRP 420 Cb 0.50 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.65 2brl h TRP 420 CO -0.21 0.25 -1.84 0.00 -1.28 0.00 0.00 178.44 175.35 2brl h ALA 421 N 1.75 0.30 -0.26 0.11 0.00 -1.79 -2.68 119.26 116.70 2brl h ALA 421 Ca -0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 54.91 53.53 2brl h ALA 421 Cb 0.82 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2brl h ALA 421 CO 0.03 1.17 -0.33 0.00 0.00 0.00 0.00 179.25 180.13 2brl h ARG 422 N 0.09 0.68 0.19 0.00 3.08 -1.49 0.18 114.38 117.11 2brl h ARG 422 Ca -0.37 -0.38 -0.35 0.00 0.07 0.00 0.00 59.98 58.94 2brl h ARG 422 Cb 2.07 0.03 0.01 0.00 0.08 0.00 0.00 29.97 32.15 2brl h ARG 422 CO 0.14 1.00 -1.73 0.52 -1.07 0.00 0.00 179.97 178.82 2brl h MET 423 N 0.41 0.40 0.00 0.04 2.86 -1.51 -3.32 114.93 113.81 2brl h MET 423 Ca 0.03 -0.69 0.00 0.00 -2.06 0.00 0.00 59.70 56.99 2brl h MET 423 Cb 0.90 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2brl h MET 423 CO 0.08 1.32 -0.67 -0.89 1.06 0.00 0.00 176.91 177.81 2brl n ILE 424 N -3.59 1.11 -0.23 -1.22 5.41 -1.08 -4.34 119.36 115.42 2brl n ILE 424 Ca -0.24 0.24 -0.07 0.00 1.00 0.00 0.00 62.75 63.67 2brl n ILE 424 Cb 1.08 -2.06 0.04 0.00 -0.71 0.00 0.00 39.64 37.98 2brl n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2brl h LEU 425 N -0.67 0.96 0.37 1.39 3.38 -1.33 0.51 115.31 119.91 2brl h LEU 425 Ca 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2brl h LEU 425 Cb 0.67 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2brl h LEU 425 CO 0.00 0.91 -0.18 0.24 0.09 0.00 0.00 178.44 179.51 2brl h MET 426 N 0.95 -0.47 -0.64 1.13 2.86 -0.79 -2.63 114.93 115.33 2brl h MET 426 Ca 0.21 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.94 2brl h MET 426 Cb 0.30 0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.99 2brl h MET 426 CO -0.01 -0.18 -0.38 2.41 1.06 0.00 0.00 176.91 179.82 2brl n THR 427 N -5.12 -0.44 -0.25 2.22 -1.04 -1.19 -1.65 114.28 106.82 2brl n THR 427 Ca -0.08 2.06 0.00 0.00 -2.04 0.00 0.00 64.05 63.98 2brl n THR 427 Cb 0.26 -2.59 0.12 0.00 -1.82 0.00 0.00 70.33 66.30 2brl n THR 427 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2brl h HIS 428 N 0.00 0.69 0.09 -1.42 6.17 -0.94 -2.29 115.15 117.44 2brl h HIS 428 Ca 0.10 0.03 -0.26 0.00 0.71 0.00 0.00 60.37 60.95 2brl h HIS 428 Cb 0.26 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 29.98 2brl h HIS 428 CO -0.98 0.29 -1.19 0.74 0.71 0.00 0.00 177.93 177.51 2brl h PHE 429 N 0.67 0.34 0.00 5.26 -1.00 -1.02 -1.13 116.94 120.06 2brl h PHE 429 Ca 0.33 -0.25 0.00 0.00 2.81 0.00 0.00 57.97 60.87 2brl h PHE 429 Cb 0.28 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.82 2brl h PHE 429 CO -0.09 1.20 0.00 0.74 -1.61 0.00 0.00 178.31 178.55 2brl h PHE 430 N 0.05 0.00 0.08 -0.55 -1.00 -1.30 -1.30 116.94 112.91 2brl h PHE 430 Ca -0.10 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 2brl h PHE 430 Cb 1.91 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.47 2brl h PHE 430 CO 0.04 0.00 -0.04 0.66 -1.61 0.00 0.00 178.31 177.37 2brl h SER 431 N 0.00 -0.09 -0.74 2.17 4.64 -0.89 -2.15 113.55 116.50 2brl h SER 431 Ca 0.00 -0.39 0.21 0.00 -0.47 0.00 0.00 61.79 61.14 2brl h SER 431 Cb 0.48 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 2brl h SER 431 CO 0.00 0.56 0.57 0.40 -0.87 0.00 0.00 176.83 177.49 2brl h ILE 432 N -0.96 0.54 0.09 0.95 2.04 -1.20 -0.20 117.51 118.77 2brl h ILE 432 Ca -0.01 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.58 2brl h ILE 432 Cb 0.48 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2brl h ILE 432 CO 0.02 0.00 -1.31 -0.07 0.00 0.00 0.00 178.15 176.79 2brl h LEU 433 N 0.00 0.29 -0.08 1.44 3.38 -1.26 -2.87 115.31 116.21 2brl h LEU 433 Ca 0.35 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2brl h LEU 433 Cb 1.48 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 2brl h LEU 433 CO -0.00 1.28 -0.05 -0.07 0.09 0.00 0.00 178.44 179.68 2brl h LEU 434 N 0.05 0.18 -0.60 1.67 3.38 -0.65 -1.58 115.31 117.76 2brl h LEU 434 Ca -0.15 -0.44 0.12 0.00 0.09 0.00 0.00 57.88 57.50 2brl h LEU 434 Cb 1.94 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 42.53 2brl h LEU 434 CO 0.17 0.58 -0.13 0.00 0.09 0.00 0.00 178.44 179.15 2brl h ALA 435 N 0.60 0.42 -0.19 1.53 0.00 -1.15 -2.31 119.26 118.16 2brl h ALA 435 Ca 0.02 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2brl h ALA 435 Cb 0.52 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2brl h ALA 435 CO 0.01 -0.43 0.00 1.04 0.00 0.00 0.00 179.25 179.88 2brl n GLN 436 N -5.39 2.16 -1.39 0.00 6.02 -1.08 -4.94 117.38 112.76 2brl n GLN 436 Ca 0.07 -1.73 -0.13 0.00 -0.01 0.00 0.00 57.00 55.20 2brl n GLN 436 Cb 0.32 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 2brl n GLN 436 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2brl n GLU 437 N 0.99 -1.64 -0.34 -1.09 1.02 -0.67 -4.90 120.64 114.01 2brl n GLU 437 Ca 0.17 0.97 -0.05 0.00 -0.02 0.00 0.00 57.16 58.23 2brl n GLU 437 Cb 0.50 -5.39 0.06 0.00 -0.02 0.00 0.00 31.44 26.59 2brl n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2brl n GLN 438 N -1.20 1.50 -0.26 3.49 1.13 -0.75 -4.50 117.38 116.80 2brl n GLN 438 Ca -0.13 -0.88 -0.01 0.00 -1.94 0.00 0.00 57.00 54.04 2brl n GLN 438 Cb 0.62 -1.41 0.11 0.00 0.11 0.00 0.00 30.24 29.67 2brl n GLN 438 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2brl h LEU 439 N 1.03 0.63 -1.88 1.08 5.85 -1.91 -2.98 115.31 117.14 2brl h LEU 439 Ca 0.15 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2brl h LEU 439 Cb 1.43 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2brl h LEU 439 CO 0.29 0.40 0.00 -0.62 -0.34 0.00 0.00 178.44 178.17 2brl n GLU 440 N -4.74 2.21 -3.02 1.25 1.02 -1.26 -4.03 120.64 112.07 2brl n GLU 440 Ca 0.10 -1.85 -0.40 0.00 -0.02 0.00 0.00 57.16 54.99 2brl n GLU 440 Cb 0.18 -1.45 -0.05 0.00 -0.02 0.00 0.00 31.44 30.11 2brl n GLU 440 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2brl s LYS 441 N -1.50 4.36 0.32 3.49 2.20 -1.13 -4.94 119.74 122.55 2brl s LYS 441 Ca 0.36 0.87 -0.27 0.00 -0.36 0.00 0.00 55.97 56.57 2brl s LYS 441 Cb 0.20 -3.50 -0.09 0.00 -1.51 0.00 0.00 37.83 32.92 2brl s LYS 441 CO 0.28 -0.09 1.02 0.00 -0.36 0.00 0.00 175.35 176.20 2brl s ALA 442 N 1.34 3.24 0.01 3.13 0.00 -1.26 -4.43 121.76 123.79 2brl s ALA 442 Ca 0.36 0.70 0.08 0.00 0.00 0.00 0.00 51.96 53.10 2brl s ALA 442 Cb -0.17 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2brl s ALA 442 CO 0.15 -0.04 -0.25 -0.51 0.00 0.00 0.00 175.76 175.12 2brl s LEU 443 N -1.94 2.10 0.55 0.00 1.43 0.62 -4.87 118.68 116.57 2brl s LEU 443 Ca 0.50 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 2brl s LEU 443 Cb -0.24 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 2brl s LEU 443 CO 0.31 0.27 1.11 -1.81 0.23 0.00 0.00 176.35 176.46 2brl s ASP 444 N -0.86 5.75 -0.30 2.29 1.11 -1.26 -0.15 116.67 123.24 2brl s ASP 444 Ca 0.10 2.08 -0.06 0.00 0.18 0.00 0.00 52.55 54.85 2brl s ASP 444 Cb -0.10 -2.57 0.18 0.00 1.07 0.00 0.00 42.92 41.51 2brl s ASP 444 CO 0.00 -1.20 0.79 0.00 1.18 0.00 0.00 175.17 175.95 2brl s GLN 446 N 2.89 3.43 -0.07 0.00 2.00 -0.76 -1.29 119.66 125.86 2brl s GLN 446 Ca 0.11 0.02 0.01 0.00 -2.00 0.00 0.00 55.36 53.50 2brl s GLN 446 Cb -0.13 -4.04 0.02 0.00 0.80 0.00 0.00 33.01 29.66 2brl s GLN 446 CO -0.17 -1.61 -0.08 0.42 -0.50 0.00 0.00 175.29 173.35 2brl s ILE 447 N 4.56 0.87 -0.96 -2.34 1.01 -0.88 -4.88 121.20 118.58 2brl s ILE 447 Ca 0.37 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 2brl s ILE 447 Cb -0.10 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.53 2brl s ILE 447 CO 0.22 0.31 0.66 -1.22 0.00 0.00 0.00 174.94 174.92 2brl n TYR 448 N 4.21 -1.72 -0.94 3.97 4.01 -1.26 -3.06 117.16 122.37 2brl n TYR 448 Ca -0.20 0.57 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 2brl n TYR 448 Cb 0.51 -3.59 0.00 0.00 -0.31 0.00 0.00 39.34 35.95 2brl n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2brl n GLY 449 N -1.43 0.82 3.32 2.72 0.00 -1.26 -5.01 105.19 104.35 2brl n GLY 449 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2brl n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2brl s ALA 450 N -3.41 1.98 -0.39 4.61 0.00 -1.17 -5.07 121.76 118.31 2brl s ALA 450 Ca 0.00 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.51 2brl s ALA 450 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2brl s ALA 450 CO 0.00 0.42 0.27 0.00 0.00 0.00 0.00 175.76 176.45 2brl s TYR 452 N 1.68 3.48 -0.60 0.00 1.51 -0.41 -4.91 117.35 118.10 2brl s TYR 452 Ca 0.05 0.57 -0.09 0.00 -1.01 0.00 0.00 57.07 56.58 2brl s TYR 452 Cb -0.19 -2.04 0.15 0.00 -0.11 0.00 0.00 41.96 39.78 2brl s TYR 452 CO 0.10 0.20 0.48 0.45 -1.11 0.00 0.00 175.55 175.68 2brl s SER 453 N -3.23 5.89 -0.22 2.29 0.15 -1.26 -1.52 113.70 115.80 2brl s SER 453 Ca 0.43 -2.32 -0.13 0.00 0.70 0.00 0.00 55.95 54.63 2brl s SER 453 Cb -0.11 -2.04 -0.05 0.00 -1.71 0.00 0.00 66.02 62.12 2brl s SER 453 CO 0.30 -0.60 0.26 -0.63 1.20 0.00 0.00 173.24 173.78 2brl s ILE 454 N 0.74 5.29 -0.36 6.45 1.01 0.79 -4.77 121.20 130.35 2brl s ILE 454 Ca 0.11 0.41 -0.24 0.00 0.00 0.00 0.00 60.65 60.93 2brl s ILE 454 Cb -0.21 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.67 2brl s ILE 454 CO -0.03 0.31 0.85 -1.61 0.00 0.00 0.00 174.94 174.45 2brl s GLU 455 N 1.16 3.81 0.46 2.79 2.02 -1.26 -0.28 118.70 127.40 2brl s GLU 455 Ca 0.12 0.45 0.31 0.00 0.02 0.00 0.00 54.97 55.87 2brl s GLU 455 Cb -0.14 -3.80 1.40 0.00 0.10 0.00 0.00 34.13 31.69 2brl s GLU 455 CO 0.06 -0.88 1.69 -1.35 0.02 0.00 0.00 175.26 174.79 2brl h PRO 456 N 8.45 0.13 0.00 0.39 0.11 -1.78 0.87 132.00 140.18 2brl h PRO 456 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2brl h PRO 456 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2brl h PRO 456 CO 0.94 0.09 0.00 1.28 -0.21 0.00 0.00 178.00 180.10 2brl n LEU 457 N -4.50 0.00 0.09 2.35 4.77 -1.26 -2.66 117.00 115.79 2brl n LEU 457 Ca 0.33 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.89 2brl n LEU 457 Cb 1.33 -0.45 0.45 0.00 -2.33 0.00 0.00 43.42 42.43 2brl n LEU 457 CO 0.28 -0.15 0.89 0.47 -1.33 0.00 0.00 177.39 177.55 2brl n ASP 458 N -1.45 0.61 -0.12 -1.43 10.43 0.30 -4.53 116.55 120.37 2brl n ASP 458 Ca 0.06 0.57 -0.05 0.00 2.57 0.00 0.00 54.79 57.95 2brl n ASP 458 Cb 0.21 -0.73 0.03 0.00 1.84 0.00 0.00 41.12 42.47 2brl n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2brl h LEU 459 N 0.00 -0.14 -0.82 0.64 3.38 -1.62 -2.31 115.31 114.45 2brl h LEU 459 Ca 0.00 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.25 2brl h LEU 459 Cb 0.61 0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.39 2brl h LEU 459 CO 0.00 -0.03 0.26 -0.65 0.09 0.00 0.00 178.44 178.11 2brl h PRO 460 N 0.12 0.31 -0.10 1.13 0.11 -1.85 -0.25 132.00 131.47 2brl h PRO 460 Ca 0.19 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.06 2brl h PRO 460 Cb 0.27 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.31 2brl h PRO 460 CO -0.31 0.20 -0.82 1.96 -0.21 0.00 0.00 178.00 178.83 2brl h GLN 461 N 0.32 0.66 -0.57 1.05 7.50 -1.75 -1.98 115.11 120.33 2brl h GLN 461 Ca 0.49 -0.57 -0.04 0.00 0.50 0.00 0.00 58.65 59.02 2brl h GLN 461 Cb 0.88 0.13 -0.02 0.00 0.05 0.00 0.00 27.48 28.52 2brl h GLN 461 CO -0.54 1.19 0.18 0.82 -1.50 0.00 0.00 178.83 178.98 2brl h ILE 462 N 0.44 1.24 -0.28 2.54 2.04 -0.99 -1.84 117.51 120.65 2brl h ILE 462 Ca -0.06 -0.80 -0.14 0.00 1.00 0.00 0.00 64.86 64.86 2brl h ILE 462 Cb 1.44 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2brl h ILE 462 CO 0.16 0.30 -0.36 0.40 0.00 0.00 0.00 178.15 178.65 2brl h ILE 463 N 0.80 1.30 -0.76 -0.67 2.04 -1.06 -1.41 117.51 117.75 2brl h ILE 463 Ca 0.18 -1.54 0.03 0.00 1.00 0.00 0.00 64.86 64.53 2brl h ILE 463 Cb 0.28 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 2brl h ILE 463 CO -0.01 0.50 0.48 -0.08 0.00 0.00 0.00 178.15 179.04 2brl h GLU 464 N 0.48 0.91 -0.52 2.37 4.81 -1.34 0.70 114.58 121.99 2brl h GLU 464 Ca 0.03 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 2brl h GLU 464 Cb 0.95 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2brl h GLU 464 CO 0.09 0.60 -0.09 -0.09 -0.73 0.00 0.00 179.01 178.79 2brl h ARG 465 N 0.94 0.96 0.05 1.92 2.43 -1.22 -1.29 114.38 118.17 2brl h ARG 465 Ca 0.30 -0.34 -0.27 0.00 -0.81 0.00 0.00 59.98 58.86 2brl h ARG 465 Cb 0.01 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 2brl h ARG 465 CO -0.11 1.00 -1.43 1.25 -1.51 0.00 0.00 179.97 179.17 2brl h LEU 466 N 0.86 0.16 0.00 3.80 5.85 -0.92 -3.41 115.31 121.65 2brl h LEU 466 Ca 0.14 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2brl h LEU 466 Cb 0.63 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2brl h LEU 466 CO 0.04 1.19 -0.17 1.41 -0.34 0.00 0.00 178.44 180.58 2brl n HIS 467 N -3.31 0.00 0.00 1.25 8.25 0.21 -4.75 115.22 116.87 2brl n HIS 467 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2brl n HIS 467 Cb 1.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 2brl n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2brl n GLY 468 N 0.84 -0.12 0.23 -1.41 0.00 -0.49 -4.53 105.19 99.72 2brl n GLY 468 Ca 0.00 -1.75 0.09 0.00 0.00 0.00 0.00 46.02 44.36 2brl n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2brl h LEU 469 N 0.00 0.00 -2.49 0.99 3.38 -1.89 -3.00 115.31 112.30 2brl h LEU 469 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2brl h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2brl h LEU 469 CO 0.00 0.23 0.08 0.77 0.09 0.00 0.00 178.44 179.61 2brl h SER 470 N 0.00 0.00 0.04 -0.43 4.64 -1.97 -1.88 113.55 113.95 2brl h SER 470 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2brl h SER 470 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2brl h SER 470 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 2brl h ALA 471 N 1.89 1.00 -0.21 5.18 0.00 -1.76 -1.17 119.26 124.20 2brl h ALA 471 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2brl h ALA 471 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2brl h ALA 471 CO -0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2brl n PHE 472 N -2.37 0.24 -0.77 0.00 0.99 -0.70 -4.51 117.46 110.34 2brl n PHE 472 Ca -0.01 -0.12 0.00 0.00 -0.00 0.00 0.00 57.45 57.31 2brl n PHE 472 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.53 2brl n PHE 472 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2brl n SER 473 N 1.35 0.24 -4.75 4.37 7.64 -0.47 -4.54 113.62 117.45 2brl n SER 473 Ca 0.17 -1.01 -0.40 0.00 1.01 0.00 0.00 58.87 58.64 2brl n SER 473 Cb 0.59 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.74 2brl n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2brl s LEU 474 N -0.01 4.56 0.00 -3.43 1.43 -1.00 -4.07 118.68 116.17 2brl s LEU 474 Ca 0.00 2.15 -0.02 0.00 -1.03 0.00 0.00 54.13 55.24 2brl s LEU 474 Cb 0.00 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.61 2brl s LEU 474 CO 0.00 -0.08 0.40 0.00 0.23 0.00 0.00 176.35 176.89 2brl n HIS 475 N 1.52 -1.26 -3.70 0.29 1.44 -0.03 -4.94 115.22 108.53 2brl n HIS 475 Ca -0.01 -1.90 -0.32 0.00 -2.01 0.00 0.00 57.72 53.48 2brl n HIS 475 Cb 0.46 0.45 0.04 0.00 0.12 0.00 0.00 29.99 31.06 2brl n HIS 475 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2brl n SER 476 N -1.72 -5.28 -4.80 4.39 7.64 -1.26 -0.98 113.62 111.61 2brl n SER 476 Ca 0.01 -1.03 -0.31 0.00 1.01 0.00 0.00 58.87 58.54 2brl n SER 476 Cb 0.47 -3.30 0.07 0.00 -1.01 0.00 0.00 64.21 60.45 2brl n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2brl s TYR 477 N -3.47 2.87 0.35 1.43 1.51 -1.26 -3.96 117.35 114.82 2brl s TYR 477 Ca 0.48 1.44 -0.28 0.00 -1.01 0.00 0.00 57.07 57.70 2brl s TYR 477 Cb -0.18 -2.97 -0.10 0.00 -0.11 0.00 0.00 41.96 38.61 2brl s TYR 477 CO 0.87 -1.53 1.28 -1.54 -1.11 0.00 0.00 175.55 173.52 2brl s SER 478 N -3.64 6.68 0.38 2.29 1.04 -1.12 -4.89 113.70 114.43 2brl s SER 478 Ca 0.60 2.63 0.08 0.00 0.48 0.00 0.00 55.95 59.73 2brl s SER 478 Cb -0.15 -2.64 0.80 0.00 0.10 0.00 0.00 66.02 64.13 2brl s SER 478 CO 0.55 -0.59 1.96 -0.65 0.98 0.00 0.00 173.24 175.49 2brl h PRO 479 N 3.18 0.66 -0.75 4.02 0.11 -1.94 -2.28 132.00 135.01 2brl h PRO 479 Ca -0.49 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 2brl h PRO 479 Cb 1.23 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2brl h PRO 479 CO 0.65 0.44 0.30 0.78 -0.21 0.00 0.00 178.00 179.96 2brl h GLY 480 N 0.68 1.20 1.00 -0.55 0.00 -1.99 -2.27 103.07 101.16 2brl h GLY 480 Ca 0.32 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 2brl h GLY 480 CO -0.11 0.62 -0.01 -2.09 0.00 0.00 0.00 176.54 174.95 2brl h GLU 481 N 1.08 0.85 -0.16 4.80 4.57 -1.81 -1.87 114.58 122.04 2brl h GLU 481 Ca 0.25 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2brl h GLU 481 Cb 0.21 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2brl h GLU 481 CO -0.02 0.91 0.06 0.82 -1.18 0.00 0.00 179.01 179.59 2brl h ILE 482 N 0.71 1.17 0.00 2.32 2.04 -1.23 -1.89 117.51 120.62 2brl h ILE 482 Ca 0.13 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2brl h ILE 482 Cb 0.53 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2brl h ILE 482 CO 0.03 0.16 -0.06 0.78 0.00 0.00 0.00 178.15 179.05 2brl h ASN 483 N 0.09 0.00 -0.03 1.72 2.35 -1.42 -0.50 115.58 117.79 2brl h ASN 483 Ca 0.05 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2brl h ASN 483 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2brl h ASN 483 CO -0.00 0.06 -0.14 -0.09 -1.65 0.00 0.00 177.43 175.61 2brl h ARG 484 N 0.00 0.16 -0.02 0.81 2.43 -0.98 -1.66 114.38 115.11 2brl h ARG 484 Ca -0.00 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2brl h ARG 484 Cb 0.13 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2brl h ARG 484 CO 0.01 0.77 -0.14 0.28 -1.51 0.00 0.00 179.97 179.38 2brl h VAL 485 N -0.42 0.65 -0.87 0.20 2.07 -0.89 -1.99 116.25 115.01 2brl h VAL 485 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2brl h VAL 485 Cb 0.80 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 2brl h VAL 485 CO 0.03 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.16 2brl h ALA 486 N 0.74 1.18 0.00 1.67 0.00 -1.15 -0.27 119.26 121.43 2brl h ALA 486 Ca 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2brl h ALA 486 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2brl h ALA 486 CO -0.15 0.31 -0.31 0.77 0.00 0.00 0.00 179.25 179.87 2brl h SER 487 N 1.00 0.00 -0.08 0.00 0.02 -1.11 -2.64 113.55 110.74 2brl h SER 487 Ca 0.37 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.21 2brl h SER 487 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2brl h SER 487 CO -0.16 0.31 -0.36 0.00 -1.14 0.00 0.00 176.83 175.48 2brl h LEU 489 N -0.09 0.41 -0.68 0.00 3.38 -1.02 -2.41 115.31 114.90 2brl h LEU 489 Ca -0.02 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2brl h LEU 489 Cb 1.01 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2brl h LEU 489 CO 0.08 0.29 0.21 -0.09 0.09 0.00 0.00 178.44 179.01 2brl h ARG 490 N 0.54 1.06 0.00 1.13 2.43 -1.50 -1.26 114.38 116.77 2brl h ARG 490 Ca 0.22 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2brl h ARG 490 Cb 0.09 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2brl h ARG 490 CO -0.13 0.92 -0.18 -0.22 -1.51 0.00 0.00 179.97 178.85 2brl h LYS 491 N 1.00 0.00 0.00 0.20 3.64 -1.15 -3.21 116.57 117.05 2brl h LYS 491 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2brl h LYS 491 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2brl h LYS 491 CO -0.01 0.18 -0.96 1.28 -2.27 0.00 0.00 179.45 177.67 2brl n LEU 492 N -3.31 0.77 0.00 5.20 4.77 -0.93 -4.98 117.00 118.52 2brl n LEU 492 Ca 0.00 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2brl n LEU 492 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2brl n LEU 492 CO 0.32 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2brl n GLY 493 N 1.43 0.76 3.88 -0.72 0.00 -0.65 -5.07 105.19 104.81 2brl n GLY 493 Ca 0.03 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2brl n GLY 493 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2brl s VAL 494 N -2.00 5.06 0.71 1.61 -7.23 -0.57 -5.03 120.40 112.95 2brl s VAL 494 Ca 0.00 0.36 -0.17 0.00 -1.81 0.00 0.00 61.98 60.37 2brl s VAL 494 Cb 0.00 -3.64 -0.06 0.00 0.56 0.00 0.00 36.38 33.24 2brl s VAL 494 CO 0.00 0.13 0.39 -2.65 -0.31 0.00 0.00 175.10 172.65 2brl n PRO 495 N 0.42 0.26 -1.93 4.82 -0.02 -1.26 -4.44 135.00 132.85 2brl n PRO 495 Ca -0.04 0.12 -0.30 0.00 -2.02 0.00 0.00 63.50 61.26 2brl n PRO 495 Cb 0.52 -1.69 0.17 0.00 -0.02 0.00 0.00 33.50 32.48 2brl n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2brl s PRO 496 N -2.49 0.88 0.41 0.52 0.04 -1.26 -4.90 135.00 128.20 2brl s PRO 496 Ca 0.63 -0.32 0.14 0.00 0.04 0.00 0.00 61.00 61.50 2brl s PRO 496 Cb -0.36 -1.87 0.86 0.00 0.04 0.00 0.00 34.50 33.17 2brl s PRO 496 CO 0.60 -2.27 1.90 -0.07 0.04 0.00 0.00 177.00 177.21 2brl h LEU 497 N -1.54 0.00 -1.06 -3.56 3.38 -1.96 -1.90 115.31 108.67 2brl h LEU 497 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2brl h LEU 497 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2brl h LEU 497 CO 0.43 0.29 0.31 0.08 0.09 0.00 0.00 178.44 179.64 2brl h ARG 498 N 0.00 0.98 -0.66 1.13 0.11 -2.00 -1.27 114.38 112.67 2brl h ARG 498 Ca -0.00 -0.14 -0.01 0.00 0.10 0.00 0.00 59.98 59.93 2brl h ARG 498 Cb 0.51 -0.18 -0.03 0.00 1.11 0.00 0.00 29.97 31.38 2brl h ARG 498 CO 0.04 0.77 0.38 0.28 0.10 0.00 0.00 179.97 181.53 2brl h VAL 499 N 0.97 1.20 0.00 0.08 2.07 -1.71 -2.63 116.25 116.23 2brl h VAL 499 Ca 0.24 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 2brl h VAL 499 Cb 0.12 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2brl h VAL 499 CO -0.03 0.22 -0.41 -0.50 0.02 0.00 0.00 177.57 176.87 2brl h TRP 500 N 0.90 0.00 -0.11 1.57 4.06 -1.39 -0.64 115.95 120.34 2brl h TRP 500 Ca 0.23 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 61.05 2brl h TRP 500 Cb 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 2brl h TRP 500 CO -0.01 0.41 -0.53 -0.09 -3.56 0.00 0.00 178.44 174.66 2brl h ARG 501 N 0.00 0.32 0.15 0.49 2.43 -1.03 -2.52 114.38 114.22 2brl h ARG 501 Ca -0.00 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 2brl h ARG 501 Cb 0.83 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2brl h ARG 501 CO 0.05 0.77 -0.07 1.25 -1.51 0.00 0.00 179.97 180.47 2brl h HIS 502 N 0.25 -0.18 -0.89 2.20 2.76 -1.03 -2.73 115.15 115.52 2brl h HIS 502 Ca 0.01 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.36 2brl h HIS 502 Cb 1.02 0.06 -0.11 0.00 1.55 0.00 0.00 27.41 29.93 2brl h HIS 502 CO 0.03 0.24 0.45 0.00 -1.30 0.00 0.00 177.93 177.35 2brl h ARG 503 N -0.91 0.54 0.00 5.26 3.08 -1.24 -0.67 114.38 120.44 2brl h ARG 503 Ca -0.02 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2brl h ARG 503 Cb 0.51 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2brl h ARG 503 CO 0.03 0.36 -0.40 0.00 -1.07 0.00 0.00 179.97 178.89 2brl h ALA 504 N 1.63 1.16 -0.46 0.04 0.00 -1.48 -0.21 119.26 119.94 2brl h ALA 504 Ca 0.52 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2brl h ALA 504 Cb 0.86 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2brl h ALA 504 CO -0.43 0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.30 2brl h ARG 505 N 0.00 0.76 0.47 0.00 3.08 -0.80 -1.22 114.38 116.68 2brl h ARG 505 Ca -0.00 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 2brl h ARG 505 Cb 0.80 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2brl h ARG 505 CO 0.05 0.79 -0.23 1.03 -1.07 0.00 0.00 179.97 180.54 2brl h SER 506 N 0.71 -0.53 -0.85 7.04 0.87 -0.91 -2.53 113.55 117.34 2brl h SER 506 Ca 0.14 -0.06 0.20 0.00 -1.23 0.00 0.00 61.79 60.83 2brl h SER 506 Cb 0.47 0.14 -0.12 0.00 -0.44 0.00 0.00 62.40 62.45 2brl h SER 506 CO 0.02 -0.12 0.34 0.58 -0.53 0.00 0.00 176.83 177.11 2brl h VAL 507 N -1.06 0.51 -0.47 2.23 2.07 -1.11 -0.68 116.25 117.73 2brl h VAL 507 Ca -0.06 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2brl h VAL 507 Cb 0.57 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2brl h VAL 507 CO 0.11 0.07 0.21 -0.09 0.02 0.00 0.00 177.57 177.89 2brl h ARG 508 N 0.38 0.69 -0.33 1.57 2.43 -1.25 -2.62 114.38 115.25 2brl h ARG 508 Ca 0.51 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.60 2brl h ARG 508 Cb 0.93 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 2brl h ARG 508 CO -0.51 0.60 0.16 0.00 -1.51 0.00 0.00 179.97 178.71 2brl h ALA 509 N 1.05 0.41 0.03 2.80 0.00 -0.69 -2.13 119.26 120.73 2brl h ALA 509 Ca 0.16 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2brl h ALA 509 Cb 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2brl h ALA 509 CO -0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 179.25 178.93 2brl h ARG 510 N 0.34 -0.16 -0.96 0.00 3.08 -1.35 -2.57 114.38 112.76 2brl h ARG 510 Ca 0.14 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.26 2brl h ARG 510 Cb 0.06 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 2brl h ARG 510 CO -0.10 -0.10 0.63 -0.07 -1.07 0.00 0.00 179.97 179.25 2brl h LEU 511 N -0.16 1.01 -1.24 3.04 3.38 -1.33 -1.48 115.31 118.53 2brl h LEU 511 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2brl h LEU 511 Cb 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2brl h LEU 511 CO -0.07 0.66 -0.34 -0.07 0.09 0.00 0.00 178.44 178.72 2brl h LEU 512 N 1.15 0.00 -0.56 1.67 4.07 -1.25 -2.32 115.31 118.07 2brl h LEU 512 Ca 0.40 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.21 2brl h LEU 512 Cb 0.12 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 2brl h LEU 512 CO -0.15 0.34 -0.63 0.28 -1.08 0.00 0.00 178.44 177.20 2brl h SER 513 N 0.00 0.38 0.57 -0.43 0.02 -0.87 -3.19 113.55 110.03 2brl h SER 513 Ca -0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2brl h SER 513 Cb 0.71 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2brl h SER 513 CO 0.04 0.91 0.00 0.00 -1.14 0.00 0.00 176.83 176.64 2brl n GLN 514 N -3.87 0.10 -1.46 3.45 6.02 -0.88 -5.00 117.38 115.73 2brl n GLN 514 Ca -0.03 0.14 0.19 0.00 -0.01 0.00 0.00 57.00 57.29 2brl n GLN 514 Cb 0.64 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.34 2brl n GLN 514 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2brl n GLY 515 N 0.50 -2.27 7.00 1.08 0.00 -1.20 -4.78 105.19 105.52 2brl n GLY 515 Ca 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2brl n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brl n GLY 516 N -4.30 4.18 0.15 -0.02 0.00 -1.26 -2.84 105.19 101.11 2brl n GLY 516 Ca -0.02 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2brl n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2brl h ARG 517 N 0.00 0.53 -0.02 1.61 3.08 -1.96 -2.78 114.38 114.86 2brl h ARG 517 Ca 0.00 -0.78 -0.01 0.00 0.07 0.00 0.00 59.98 59.26 2brl h ARG 517 Cb 0.00 0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2brl h ARG 517 CO 0.00 1.36 -0.03 0.00 -1.07 0.00 0.00 179.97 180.23 2brl h ALA 518 N 0.21 1.92 0.00 0.04 0.00 -1.82 -0.85 119.26 118.76 2brl h ALA 518 Ca -0.19 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2brl h ALA 518 Cb 1.90 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2brl h ALA 518 CO 0.23 0.06 -0.35 0.00 0.00 0.00 0.00 179.25 179.19 2brl h ALA 519 N 1.95 1.24 -0.06 0.00 0.00 -1.35 -2.57 119.26 118.47 2brl h ALA 519 Ca 0.01 -0.32 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 2brl h ALA 519 Cb 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2brl h ALA 519 CO 0.00 0.44 -0.91 1.15 0.00 0.00 0.00 179.25 179.93 2brl h THR 520 N 0.00 1.30 0.51 0.00 2.02 -0.91 -2.05 112.91 113.78 2brl h THR 520 Ca -0.00 -2.16 -0.01 0.00 0.77 0.00 0.00 66.41 65.00 2brl h THR 520 Cb 0.70 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 2brl h THR 520 CO 0.05 0.67 -0.50 0.00 0.37 0.00 0.00 175.52 176.10 2brl h GLY 522 N -1.01 1.77 1.54 0.00 0.00 -1.51 0.75 103.07 104.62 2brl h GLY 522 Ca -0.06 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 46.82 2brl h GLY 522 CO -0.06 -0.22 -0.56 1.70 0.00 0.00 0.00 176.54 177.40 2brl h LYS 523 N 0.55 0.48 0.00 4.80 3.64 -0.93 -3.14 116.57 121.97 2brl h LYS 523 Ca 0.64 -0.31 -0.34 0.00 -1.27 0.00 0.00 60.65 59.36 2brl h LYS 523 Cb 1.28 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 2brl h LYS 523 CO -0.44 0.91 -2.05 0.66 -2.27 0.00 0.00 179.45 176.26 2brl n TYR 524 N -3.94 0.18 0.24 1.91 4.02 -0.82 -3.48 117.16 115.27 2brl n TYR 524 Ca -0.03 0.08 0.10 0.00 -0.01 0.00 0.00 57.90 58.04 2brl n TYR 524 Cb 0.61 -0.93 0.60 0.00 -0.02 0.00 0.00 39.34 39.60 2brl n TYR 524 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2brl h LEU 525 N -1.00 0.00 -2.43 7.72 3.38 -1.05 -3.28 115.31 118.65 2brl h LEU 525 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2brl h LEU 525 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2brl h LEU 525 CO -0.31 0.19 -0.19 0.49 0.09 0.00 0.00 178.44 178.70 2brl n PHE 526 N -3.67 0.00 0.09 1.13 3.01 -1.19 -4.70 117.46 112.14 2brl n PHE 526 Ca -0.01 -0.47 0.20 0.00 1.01 0.00 0.00 57.45 58.18 2brl n PHE 526 Cb 0.31 -0.09 0.74 0.00 -0.01 0.00 0.00 39.48 40.43 2brl n PHE 526 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 2brl h ASN 527 N 0.00 0.00 1.18 4.37 -0.73 -1.62 -2.50 115.58 116.28 2brl h ASN 527 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 2brl h ASN 527 Cb 1.10 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.69 2brl h ASN 527 CO 0.00 0.00 -0.14 4.11 -0.37 0.00 0.00 177.43 181.03 2brl h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.84 -3.12 115.95 116.74 2brl h TRP 528 Ca 0.20 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.11 2brl h TRP 528 Cb 1.11 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.26 2brl h TRP 528 CO 0.00 0.14 -0.52 0.00 -1.28 0.00 0.00 178.44 176.78 2brl h ALA 529 N 1.86 0.76 -2.97 0.11 0.00 -1.81 -3.47 119.26 113.74 2brl h ALA 529 Ca -0.00 -0.29 -0.54 0.00 0.00 0.00 0.00 54.91 54.08 2brl h ALA 529 Cb 0.77 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.69 2brl h ALA 529 CO 0.02 0.36 0.53 0.14 0.00 0.00 0.00 179.25 180.30 2brl s VAL 530 N -3.10 2.29 -2.17 0.00 -7.23 -1.18 -4.85 120.40 104.16 2brl s VAL 530 Ca 0.04 0.19 0.31 0.00 -1.81 0.00 0.00 61.98 60.70 2brl s VAL 530 Cb 0.07 -3.09 0.79 0.00 0.56 0.00 0.00 36.38 34.71 2brl s VAL 530 CO 0.73 -0.03 2.07 0.29 -0.31 0.00 0.00 175.10 177.85