#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brk s MET 2 N 0.00 4.59 0.46 4.33 1.00 -1.26 -2.49 119.30 125.93 2brk s MET 2 Ca 0.00 1.76 0.19 0.00 0.00 0.00 0.00 55.69 57.64 2brk s MET 2 Cb 0.00 -3.25 1.13 0.00 0.00 0.00 0.00 34.83 32.71 2brk s MET 2 CO 0.00 0.08 2.00 0.66 0.00 0.00 0.00 175.02 177.76 2brk h SER 3 N 4.85 0.00 -5.08 3.03 4.64 -1.38 -3.39 113.55 116.23 2brk h SER 3 Ca -0.45 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.78 2brk h SER 3 Cb 1.21 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.14 2brk h SER 3 CO 0.72 0.18 -0.31 -0.31 -0.87 0.00 0.00 176.83 176.24 2brk s TYR 4 N -4.42 -0.01 0.01 4.77 1.51 -1.26 -1.13 117.35 116.81 2brk s TYR 4 Ca -0.03 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 55.86 2brk s TYR 4 Cb 0.15 0.03 -0.01 0.00 -0.11 0.00 0.00 41.96 42.02 2brk s TYR 4 CO 0.66 -0.49 -0.15 0.99 -1.11 0.00 0.00 175.55 175.45 2brk s THR 5 N -2.83 1.16 0.08 -0.71 2.01 0.03 -4.83 115.64 110.56 2brk s THR 5 Ca -0.03 -0.75 0.10 0.00 0.31 0.00 0.00 61.69 61.32 2brk s THR 5 Cb 0.00 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2brk s THR 5 CO -0.05 0.23 -0.26 0.26 -0.69 0.00 0.00 174.62 174.11 2brk s TRP 6 N -0.50 2.25 -0.08 4.92 0.52 -1.26 -0.96 118.94 123.83 2brk s TRP 6 Ca 0.05 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.80 2brk s TRP 6 Cb -0.06 -1.29 -0.25 0.00 -1.15 0.00 0.00 33.47 30.72 2brk s TRP 6 CO 0.00 0.21 0.53 0.25 0.02 0.00 0.00 176.95 177.96 2brk n THR 7 N 1.41 1.69 0.00 2.01 -2.24 -0.23 -4.89 114.28 112.03 2brk n THR 7 Ca -0.17 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 2brk n THR 7 Cb 0.53 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 2brk n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2brk n GLY 8 N 1.76 1.28 3.73 3.38 0.00 -1.26 -5.07 105.19 109.01 2brk n GLY 8 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2brk n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2brk s ALA 9 N -1.14 2.44 0.32 4.61 0.00 -1.26 -4.97 121.76 121.76 2brk s ALA 9 Ca 0.00 1.25 -0.06 0.00 0.00 0.00 0.00 51.96 53.15 2brk s ALA 9 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2brk s ALA 9 CO 0.00 -1.59 0.61 -0.51 0.00 0.00 0.00 175.76 174.27 2brk s LEU 10 N -4.25 4.00 -0.41 0.00 1.43 -1.26 -4.84 118.68 113.35 2brk s LEU 10 Ca 0.81 0.81 -0.28 0.00 -1.03 0.00 0.00 54.13 54.44 2brk s LEU 10 Cb -0.38 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.22 2brk s LEU 10 CO 0.41 -0.25 1.06 -0.63 0.23 0.00 0.00 176.35 177.18 2brk s ILE 11 N -2.16 4.38 0.16 -0.59 1.01 -1.26 -4.80 121.20 117.94 2brk s ILE 11 Ca 0.46 1.32 0.03 0.00 0.00 0.00 0.00 60.65 62.46 2brk s ILE 11 Cb -0.11 -4.49 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 2brk s ILE 11 CO 0.30 -0.76 0.27 0.42 0.00 0.00 0.00 174.94 175.18 2brk s THR 12 N 3.99 5.23 0.61 2.92 -4.23 -1.26 -4.83 115.64 118.06 2brk s THR 12 Ca 0.44 -0.75 -0.13 0.00 -1.18 0.00 0.00 61.69 60.08 2brk s THR 12 Cb -0.10 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 2brk s THR 12 CO 0.24 -0.11 1.03 -2.16 -0.54 0.00 0.00 174.62 173.09 2brk s PRO 13 N -3.26 3.48 -0.00 3.99 0.04 -1.26 -4.45 135.00 133.54 2brk s PRO 13 Ca 0.34 0.90 0.15 0.00 0.04 0.00 0.00 61.00 62.43 2brk s PRO 13 Cb -0.11 -2.06 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 2brk s PRO 13 CO 0.28 -0.67 0.61 0.00 0.04 0.00 0.00 177.00 177.27 2brk s ALA 15 N -2.40 0.84 0.09 0.00 0.00 -1.26 -5.12 121.76 113.92 2brk s ALA 15 Ca 0.05 -1.51 -0.31 0.00 0.00 0.00 0.00 51.96 50.19 2brk s ALA 15 Cb 0.11 1.30 -0.11 0.00 0.00 0.00 0.00 23.12 24.43 2brk s ALA 15 CO 0.60 -0.67 1.85 0.00 0.00 0.00 0.00 175.76 177.54 2brk n ALA 16 N -0.34 1.94 -2.39 0.00 0.00 -1.26 -5.00 120.51 113.46 2brk n ALA 16 Ca 0.01 0.30 -0.19 0.00 0.00 0.00 0.00 53.44 53.56 2brk n ALA 16 Cb 0.64 -2.58 -0.01 0.00 0.00 0.00 0.00 19.45 17.50 2brk n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2brk s GLU 17 N 2.99 2.92 -0.05 0.00 2.02 -1.26 -5.13 118.70 120.19 2brk s GLU 17 Ca 0.84 -1.17 -0.02 0.00 0.02 0.00 0.00 54.97 54.64 2brk s GLU 17 Cb -0.51 -2.68 0.04 0.00 0.10 0.00 0.00 34.13 31.08 2brk s GLU 17 CO 0.39 0.01 0.09 -1.21 0.02 0.00 0.00 175.26 174.56 2brk s GLU 18 N -4.14 -0.01 0.00 1.61 8.01 -1.26 -5.05 118.70 117.86 2brk s GLU 18 Ca 0.45 0.36 0.18 0.00 0.01 0.00 0.00 54.97 55.97 2brk s GLU 18 Cb -0.08 -0.31 0.34 0.00 -4.31 0.00 0.00 34.13 29.77 2brk s GLU 18 CO 0.30 -0.24 1.26 0.45 0.01 0.00 0.00 175.26 177.03 2brk n SER 19 N 4.74 3.05 -3.38 -0.19 2.88 -1.26 -4.45 113.62 115.01 2brk n SER 19 Ca -0.16 -1.89 -0.09 0.00 -1.33 0.00 0.00 58.87 55.41 2brk n SER 19 Cb 0.50 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.75 2brk n SER 19 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2brk s LYS 20 N -1.22 1.98 -0.19 -1.46 3.01 -1.26 -3.22 119.74 117.39 2brk s LYS 20 Ca 0.30 -1.31 -0.22 0.00 -1.01 0.00 0.00 55.97 53.74 2brk s LYS 20 Cb 0.17 0.59 -0.19 0.00 -1.01 0.00 0.00 37.83 37.39 2brk s LYS 20 CO 0.24 -0.90 0.29 -0.07 0.51 0.00 0.00 175.35 175.42 2brk h LEU 21 N 2.04 0.00 0.00 3.17 -0.00 -2.00 -3.48 115.31 115.03 2brk h LEU 21 Ca -0.27 -0.55 0.00 0.00 -0.00 0.00 0.00 57.88 57.06 2brk h LEU 21 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2brk h LEU 21 CO 0.34 1.31 0.00 0.23 -0.00 0.00 0.00 178.44 180.32 2brk n MET 36 N -4.49 0.00 -3.50 1.13 2.81 -1.26 -5.19 117.12 106.62 2brk n MET 36 Ca -0.25 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.26 2brk n MET 36 Cb 0.59 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 33.01 2brk n MET 36 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2brk s VAL 37 N 0.00 5.26 0.15 2.03 -7.23 -1.26 -1.51 120.40 117.84 2brk s VAL 37 Ca 0.00 0.46 0.09 0.00 -1.81 0.00 0.00 61.98 60.72 2brk s VAL 37 Cb 0.00 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 2brk s VAL 37 CO 0.00 0.27 -0.20 -0.72 -0.31 0.00 0.00 175.10 174.13 2brk s TYR 38 N 1.37 1.93 -0.08 2.82 -0.85 -0.77 -4.73 117.35 117.04 2brk s TYR 38 Ca 0.13 -0.43 -0.01 0.00 -0.52 0.00 0.00 57.07 56.25 2brk s TYR 38 Cb -0.15 -0.99 -0.03 0.00 0.38 0.00 0.00 41.96 41.17 2brk s TYR 38 CO 0.07 0.33 -0.02 0.00 -1.52 0.00 0.00 175.55 174.42 2brk s ALA 39 N -1.71 3.19 0.42 9.51 0.00 -1.20 -0.06 121.76 131.92 2brk s ALA 39 Ca 0.14 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 51.03 2brk s ALA 39 Cb -0.07 -1.40 -0.08 0.00 0.00 0.00 0.00 23.12 21.57 2brk s ALA 39 CO 0.07 0.59 1.12 0.95 0.00 0.00 0.00 175.76 178.48 2brk s THR 40 N -0.87 3.36 0.22 0.00 -4.23 -0.41 -4.47 115.64 109.25 2brk s THR 40 Ca 0.13 1.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 2brk s THR 40 Cb -0.11 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 2brk s THR 40 CO 0.02 0.02 0.10 0.42 -0.54 0.00 0.00 174.62 174.64 2brk s THR 41 N -1.56 0.30 0.58 3.99 -4.23 -1.26 -4.01 115.64 109.45 2brk s THR 41 Ca 0.60 -1.99 0.29 0.00 -1.18 0.00 0.00 61.69 59.40 2brk s THR 41 Cb -0.26 -2.53 0.39 0.00 1.34 0.00 0.00 72.50 71.44 2brk s THR 41 CO 0.33 -0.05 1.93 0.77 -0.54 0.00 0.00 174.62 177.06 2brk h SER 42 N 2.52 0.00 -0.62 3.99 4.64 -1.88 -2.07 113.55 120.13 2brk h SER 42 Ca -0.37 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.13 2brk h SER 42 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2brk h SER 42 CO 0.57 0.00 0.45 0.03 -0.87 0.00 0.00 176.83 177.01 2brk h ARG 43 N 0.00 0.01 -0.02 4.77 3.08 -1.96 -1.39 114.38 118.87 2brk h ARG 43 Ca 0.22 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2brk h ARG 43 Cb 1.12 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2brk h ARG 43 CO -0.00 0.00 -0.06 -1.13 -1.07 0.00 0.00 179.97 177.71 2brk n SER 44 N -4.35 2.10 -0.32 7.04 3.41 -0.78 -4.57 113.62 116.15 2brk n SER 44 Ca 0.12 -1.65 0.06 0.00 -0.26 0.00 0.00 58.87 57.14 2brk n SER 44 Cb 0.69 0.05 0.22 0.00 -0.26 0.00 0.00 64.21 64.91 2brk n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2brk h ALA 45 N 4.40 1.34 -0.86 7.33 0.00 -1.38 -0.91 119.26 129.18 2brk h ALA 45 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2brk h ALA 45 Cb 0.72 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2brk h ALA 45 CO 0.00 0.08 0.56 0.78 0.00 0.00 0.00 179.25 180.67 2brk h GLY 46 N 0.81 1.21 0.95 0.00 0.00 -1.80 0.72 103.07 104.96 2brk h GLY 46 Ca 0.46 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 2brk h GLY 46 CO -0.29 0.18 0.05 1.41 0.00 0.00 0.00 176.54 177.88 2brk h LEU 47 N 0.81 0.70 0.01 3.11 3.38 -1.50 -2.05 115.31 119.76 2brk h LEU 47 Ca 0.41 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2brk h LEU 47 Cb 0.47 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2brk h LEU 47 CO -0.17 0.80 -0.00 -0.09 0.09 0.00 0.00 178.44 179.07 2brk h ARG 48 N 0.57 -0.01 -0.91 1.13 9.65 -1.27 -2.82 114.38 120.73 2brk h ARG 48 Ca 0.13 0.00 0.17 0.00 -1.10 0.00 0.00 59.98 59.18 2brk h ARG 48 Cb 0.41 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.89 2brk h ARG 48 CO 0.01 0.11 0.49 1.96 2.80 0.00 0.00 179.97 185.34 2brk h GLN 49 N -0.12 0.62 -0.15 0.20 4.20 -0.81 -0.75 115.11 118.29 2brk h GLN 49 Ca -0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2brk h GLN 49 Cb 0.11 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2brk h GLN 49 CO 0.00 0.41 0.08 -0.22 -0.67 0.00 0.00 178.83 178.43 2brk h LYS 50 N 0.64 0.22 -0.61 1.46 3.11 -1.28 -2.43 116.57 117.68 2brk h LYS 50 Ca 0.52 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 58.25 2brk h LYS 50 Cb 0.80 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.96 2brk h LYS 50 CO -0.39 0.23 0.05 -0.22 -2.81 0.00 0.00 179.45 176.31 2brk h LYS 51 N 0.14 1.03 -0.05 1.90 3.64 -0.99 -3.05 116.57 119.19 2brk h LYS 51 Ca 0.05 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2brk h LYS 51 Cb 0.08 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2brk h LYS 51 CO -0.01 0.97 0.00 1.33 -2.27 0.00 0.00 179.45 179.48 2brk n VAL 52 N -4.20 0.05 -3.57 2.00 0.24 -0.40 -4.75 118.33 107.70 2brk n VAL 52 Ca 0.04 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 2brk n VAL 52 Cb 0.31 0.17 -0.11 0.00 -1.47 0.00 0.00 33.84 32.75 2brk n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2brk s THR 53 N -1.95 4.76 0.13 3.34 2.01 -0.92 -4.66 115.64 118.35 2brk s THR 53 Ca 0.38 -0.76 -0.25 0.00 0.31 0.00 0.00 61.69 61.36 2brk s THR 53 Cb 0.19 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 69.14 2brk s THR 53 CO 0.31 -0.23 0.91 0.72 -0.69 0.00 0.00 174.62 175.65 2brk s PHE 54 N 1.59 -0.20 -0.04 4.92 -0.12 -1.26 -4.97 117.98 117.91 2brk s PHE 54 Ca 0.03 -0.08 -0.22 0.00 -0.05 0.00 0.00 56.93 56.61 2brk s PHE 54 Cb -0.19 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 42.77 2brk s PHE 54 CO 0.08 -0.80 0.64 0.34 -0.05 0.00 0.00 175.22 175.42 2brk s ASP 55 N -2.83 6.97 -0.17 1.98 3.68 -1.26 -1.02 116.67 124.02 2brk s ASP 55 Ca 0.10 1.16 -0.14 0.00 2.13 0.00 0.00 52.55 55.80 2brk s ASP 55 Cb -0.02 -2.38 -0.05 0.00 -1.45 0.00 0.00 42.92 39.03 2brk s ASP 55 CO -0.00 0.00 0.30 -0.13 0.13 0.00 0.00 175.17 175.47 2brk s ARG 56 N 0.29 4.25 -0.15 4.34 3.00 -1.04 -4.93 118.95 124.72 2brk s ARG 56 Ca 0.33 0.10 -0.02 0.00 0.00 0.00 0.00 55.73 56.15 2brk s ARG 56 Cb -0.18 -3.44 -0.02 0.00 0.00 0.00 0.00 34.95 31.31 2brk s ARG 56 CO 0.17 0.20 -0.07 -0.48 0.00 0.00 0.00 175.30 175.12 2brk s LEU 57 N 0.57 3.03 -0.05 2.53 2.34 -1.26 -3.84 118.68 122.01 2brk s LEU 57 Ca 0.17 -0.21 -0.01 0.00 0.06 0.00 0.00 54.13 54.14 2brk s LEU 57 Cb -0.13 -1.71 0.03 0.00 -0.56 0.00 0.00 46.19 43.81 2brk s LEU 57 CO 0.04 0.17 0.01 -1.58 -1.06 0.00 0.00 176.35 173.93 2brk s GLN 58 N 0.36 0.40 -0.23 1.48 0.74 -1.26 -4.14 119.66 117.01 2brk s GLN 58 Ca -0.07 0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.47 2brk s GLN 58 Cb -0.15 -0.69 0.06 0.00 1.10 0.00 0.00 33.01 33.32 2brk s GLN 58 CO 0.04 -0.22 -0.07 0.08 -0.55 0.00 0.00 175.29 174.57 2brk s VAL 59 N 1.54 1.59 0.49 1.34 1.01 -0.52 -5.03 120.40 120.82 2brk s VAL 59 Ca -0.02 -1.18 -0.09 0.00 0.00 0.00 0.00 61.98 60.69 2brk s VAL 59 Cb -0.13 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 2brk s VAL 59 CO -0.03 -0.02 0.85 -0.76 0.00 0.00 0.00 175.10 175.14 2brk s LEU 60 N 1.38 3.61 0.00 3.92 1.43 -1.26 -4.47 118.68 123.29 2brk s LEU 60 Ca -0.05 1.14 0.04 0.00 -1.03 0.00 0.00 54.13 54.24 2brk s LEU 60 Cb -0.18 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 41.93 2brk s LEU 60 CO -0.07 -0.58 0.16 -0.90 0.23 0.00 0.00 176.35 175.19 2brk n ASP 61 N -2.02 -0.33 0.21 2.29 5.68 -1.26 -5.05 116.55 116.07 2brk n ASP 61 Ca 0.03 -2.25 0.07 0.00 -0.50 0.00 0.00 54.79 52.13 2brk n ASP 61 Cb 0.54 0.94 0.43 0.00 -1.14 0.00 0.00 41.12 41.89 2brk n ASP 61 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2brk h ASP 62 N 1.16 0.00 -0.03 -1.12 3.32 -1.98 -2.28 116.42 115.49 2brk h ASP 62 Ca -0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2brk h ASP 62 Cb 0.69 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 2brk h ASP 62 CO 0.20 0.30 0.02 0.45 -1.72 0.00 0.00 179.24 178.49 2brk h HIS 63 N 0.00 0.04 -0.44 4.55 3.86 -1.97 0.13 115.15 121.32 2brk h HIS 63 Ca -0.00 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 2brk h HIS 63 Cb 0.75 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.15 2brk h HIS 63 CO 0.00 0.07 0.13 -0.92 0.86 0.00 0.00 177.93 178.07 2brk h TYR 64 N 0.00 0.23 -0.64 2.45 3.20 -1.79 -1.48 116.97 118.94 2brk h TYR 64 Ca 0.01 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2brk h TYR 64 Cb 0.04 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2brk h TYR 64 CO -0.06 0.07 0.15 0.00 -1.64 0.00 0.00 178.16 176.68 2brk h ARG 65 N 0.29 1.01 -0.30 1.82 3.08 -1.16 -1.21 114.38 117.90 2brk h ARG 65 Ca 0.21 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2brk h ARG 65 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2brk h ARG 65 CO -0.23 0.89 -0.04 -0.44 -1.07 0.00 0.00 179.97 179.08 2brk h ASP 66 N 0.96 0.56 -0.43 7.04 3.32 -0.49 -1.79 116.42 125.60 2brk h ASP 66 Ca 0.20 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2brk h ASP 66 Cb 0.34 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2brk h ASP 66 CO 0.00 0.77 0.22 0.58 -1.72 0.00 0.00 179.24 179.09 2brk h VAL 67 N 0.34 1.17 -0.63 -1.35 2.07 -1.11 -2.52 116.25 114.21 2brk h VAL 67 Ca 0.08 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.20 2brk h VAL 67 Cb 0.51 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 2brk h VAL 67 CO 0.02 0.18 0.35 0.25 0.02 0.00 0.00 177.57 178.39 2brk h LEU 68 N 0.55 0.53 -0.64 2.57 5.85 -1.07 -1.04 115.31 122.05 2brk h LEU 68 Ca 0.15 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.90 2brk h LEU 68 Cb 0.09 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2brk h LEU 68 CO -0.02 0.35 0.43 0.11 -0.34 0.00 0.00 178.44 178.96 2brk h LYS 69 N 0.66 0.84 -0.75 1.25 1.57 -1.07 -0.87 116.57 118.20 2brk h LYS 69 Ca 0.28 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2brk h LYS 69 Cb 0.15 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2brk h LYS 69 CO -0.17 0.56 0.35 0.93 -0.57 0.00 0.00 179.45 180.55 2brk h GLU 70 N 0.87 1.09 -0.48 3.15 5.08 -1.01 -1.61 114.58 121.66 2brk h GLU 70 Ca 0.24 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2brk h GLU 70 Cb -0.09 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 2brk h GLU 70 CO -0.06 0.86 0.27 0.52 -1.00 0.00 0.00 179.01 179.60 2brk h MET 71 N 1.06 0.66 -0.81 2.33 2.86 -0.54 -2.53 114.93 117.96 2brk h MET 71 Ca 0.26 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2brk h MET 71 Cb 0.13 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 2brk h MET 71 CO -0.03 0.50 0.39 0.87 1.06 0.00 0.00 176.91 179.70 2brk h LYS 72 N 0.63 1.16 -0.67 1.72 1.57 -0.96 -0.28 116.57 119.74 2brk h LYS 72 Ca 0.17 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2brk h LYS 72 Cb 0.03 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 2brk h LYS 72 CO -0.03 0.89 0.35 0.00 -0.57 0.00 0.00 179.45 180.09 2brk h ALA 73 N 1.27 0.86 -0.12 3.86 0.00 -1.07 0.11 119.26 124.18 2brk h ALA 73 Ca 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2brk h ALA 73 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2brk h ALA 73 CO -0.04 0.39 0.05 0.87 0.00 0.00 0.00 179.25 180.53 2brk h LYS 74 N 0.92 0.17 -0.10 0.00 1.57 -1.16 -3.04 116.57 114.93 2brk h LYS 74 Ca 0.23 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2brk h LYS 74 Cb 0.07 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2brk h LYS 74 CO -0.03 0.26 0.07 0.00 -0.57 0.00 0.00 179.45 179.18 2brk h ALA 75 N 0.90 1.98 0.00 3.86 0.00 -0.59 -0.76 119.26 124.65 2brk h ALA 75 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2brk h ALA 75 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2brk h ALA 75 CO -0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 2brk h SER 76 N 0.09 0.00 -0.16 0.00 4.64 -0.67 -1.83 113.55 115.63 2brk h SER 76 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2brk h SER 76 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2brk h SER 76 CO -0.01 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.30 2brk n THR 77 N -2.38 0.20 -3.81 2.95 -2.24 -0.29 -4.67 114.28 104.04 2brk n THR 77 Ca 0.00 -0.33 -0.36 0.00 -2.27 0.00 0.00 64.05 61.10 2brk n THR 77 Cb 0.16 0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.64 2brk n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2brk s VAL 78 N -1.80 5.38 -0.16 2.28 1.01 -0.69 -5.02 120.40 121.41 2brk s VAL 78 Ca 0.32 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 2brk s VAL 78 Cb 0.17 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2brk s VAL 78 CO 0.26 0.50 -0.07 -0.75 0.00 0.00 0.00 175.10 175.04 2brk s LYS 79 N -0.12 3.53 0.07 2.72 2.20 -1.26 -0.54 119.74 126.33 2brk s LYS 79 Ca 0.10 -0.59 0.06 0.00 -0.36 0.00 0.00 55.97 55.18 2brk s LYS 79 Cb -0.11 -2.84 -0.03 0.00 -1.51 0.00 0.00 37.83 33.34 2brk s LYS 79 CO 0.00 0.15 -0.16 0.00 -0.36 0.00 0.00 175.35 174.98 2brk s ALA 80 N 0.56 1.37 0.32 3.13 0.00 -0.88 -4.95 121.76 121.31 2brk s ALA 80 Ca -0.05 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 50.97 2brk s ALA 80 Cb -0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2brk s ALA 80 CO 0.03 0.25 0.22 -1.59 0.00 0.00 0.00 175.76 174.66 2brk s LYS 81 N -1.58 2.63 0.24 0.00 -2.85 -1.26 -4.32 119.74 112.60 2brk s LYS 81 Ca 0.02 -1.34 -0.30 0.00 -1.00 0.00 0.00 55.97 53.35 2brk s LYS 81 Cb -0.09 -2.39 -0.09 0.00 -2.06 0.00 0.00 37.83 33.20 2brk s LYS 81 CO 0.02 0.16 1.04 -0.51 0.10 0.00 0.00 175.35 176.16 2brk s LEU 82 N -3.91 4.57 0.33 2.77 1.43 -1.26 -4.45 118.68 118.16 2brk s LEU 82 Ca 0.38 2.10 -0.26 0.00 -1.03 0.00 0.00 54.13 55.33 2brk s LEU 82 Cb -0.05 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.45 2brk s LEU 82 CO 0.25 -0.05 0.96 -0.76 0.23 0.00 0.00 176.35 176.98 2brk s LEU 83 N -1.09 4.31 0.91 1.79 1.02 -0.53 -5.06 118.68 120.04 2brk s LEU 83 Ca 0.44 1.86 -0.12 0.00 0.02 0.00 0.00 54.13 56.33 2brk s LEU 83 Cb -0.29 -4.04 0.14 0.00 0.02 0.00 0.00 46.19 42.02 2brk s LEU 83 CO 0.36 -0.11 1.11 -0.94 0.02 0.00 0.00 176.35 176.79 2brk s SER 84 N -1.62 3.42 0.27 2.29 1.04 -1.26 -4.64 113.70 113.20 2brk s SER 84 Ca 0.51 1.15 -0.01 0.00 0.48 0.00 0.00 55.95 58.08 2brk s SER 84 Cb -0.19 -1.79 0.45 0.00 0.10 0.00 0.00 66.02 64.59 2brk s SER 84 CO 0.24 -2.63 1.87 0.58 0.98 0.00 0.00 173.24 174.28 2brk h VAL 85 N -1.55 1.05 -0.40 5.02 2.07 -1.97 -1.86 116.25 118.62 2brk h VAL 85 Ca -0.51 -0.39 -0.13 0.00 0.82 0.00 0.00 66.70 66.49 2brk h VAL 85 Cb 1.31 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2brk h VAL 85 CO 0.59 0.21 -0.25 -0.33 0.02 0.00 0.00 177.57 177.81 2brk h GLU 86 N 1.14 0.87 -0.12 1.57 3.07 -1.99 -0.02 114.58 119.10 2brk h GLU 86 Ca 0.45 -0.41 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2brk h GLU 86 Cb 0.24 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 2brk h GLU 86 CO -0.19 1.05 0.06 0.93 -1.40 0.00 0.00 179.01 179.46 2brk h GLU 87 N 0.69 0.17 -0.88 2.33 5.08 -1.89 -2.00 114.58 118.08 2brk h GLU 87 Ca 0.08 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2brk h GLU 87 Cb 0.83 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 2brk h GLU 87 CO 0.07 0.24 0.58 0.00 -1.00 0.00 0.00 179.01 178.90 2brk h ALA 88 N 0.92 1.36 -0.64 3.43 0.00 -1.06 -2.29 119.26 120.97 2brk h ALA 88 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2brk h ALA 88 Cb 0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2brk h ALA 88 CO -0.00 0.59 0.42 0.00 0.00 0.00 0.00 179.25 180.25 2brk h LYS 90 N 0.87 0.00 -0.16 0.00 1.57 -0.82 -2.47 116.57 115.56 2brk h LYS 90 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2brk h LYS 90 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2brk h LYS 90 CO -0.05 0.19 0.00 1.28 -0.57 0.00 0.00 179.45 180.30 2brk n LEU 91 N -3.33 2.58 -4.71 2.94 4.77 -0.96 -4.89 117.00 113.42 2brk n LEU 91 Ca 0.00 -0.99 -0.42 0.00 -0.03 0.00 0.00 56.01 54.57 2brk n LEU 91 Cb 0.42 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2brk n LEU 91 CO 0.33 0.50 1.10 -0.89 -1.33 0.00 0.00 177.39 177.09 2brk s THR 92 N -1.81 3.35 0.30 -5.08 2.01 -0.93 -4.97 115.64 108.51 2brk s THR 92 Ca 0.34 0.92 -0.29 0.00 0.31 0.00 0.00 61.69 62.97 2brk s THR 92 Cb 0.20 -3.59 -0.11 0.00 0.01 0.00 0.00 72.50 69.02 2brk s THR 92 CO 0.30 0.05 1.45 -2.84 -0.69 0.00 0.00 174.62 172.89 2brk s PRO 93 N 1.49 4.23 0.59 4.92 0.02 -1.26 -4.91 135.00 140.08 2brk s PRO 93 Ca 0.65 2.39 0.30 0.00 0.02 0.00 0.00 61.00 64.37 2brk s PRO 93 Cb -0.36 -3.06 1.84 0.00 0.02 0.00 0.00 34.50 32.94 2brk s PRO 93 CO 0.30 -0.43 2.25 -1.00 -0.33 0.00 0.00 177.00 177.79 2brk h PRO 94 N 4.23 0.00 -0.47 5.54 0.13 -1.93 -2.99 132.00 136.50 2brk h PRO 94 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2brk h PRO 94 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2brk h PRO 94 CO 0.73 0.01 0.00 0.72 -0.23 0.00 0.00 178.00 179.22 2brk n HIS 95 N -3.79 0.64 -1.16 1.56 8.25 -1.26 -4.49 115.22 114.97 2brk n HIS 95 Ca -0.03 -0.50 -0.31 0.00 -0.26 0.00 0.00 57.72 56.62 2brk n HIS 95 Cb 0.09 -0.02 0.11 0.00 1.12 0.00 0.00 29.99 31.29 2brk n HIS 95 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2brk s SER 96 N -1.00 4.13 0.23 0.41 1.04 -1.13 -4.90 113.70 112.48 2brk s SER 96 Ca 0.32 1.95 -0.30 0.00 0.48 0.00 0.00 55.95 58.40 2brk s SER 96 Cb 0.17 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.65 2brk s SER 96 CO 0.21 -2.29 1.45 0.00 0.98 0.00 0.00 173.24 173.59 2brk s ALA 97 N -2.75 3.64 0.76 5.32 0.00 -1.26 -4.39 121.76 123.07 2brk s ALA 97 Ca 0.64 1.31 -0.15 0.00 0.00 0.00 0.00 51.96 53.76 2brk s ALA 97 Cb -0.19 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.41 2brk s ALA 97 CO 0.55 -0.73 1.19 0.36 0.00 0.00 0.00 175.76 177.12 2brk n LYS 98 N 2.60 0.47 -1.53 0.00 2.85 -1.26 -4.54 118.16 116.74 2brk n LYS 98 Ca 0.08 0.23 -0.32 0.00 -1.05 0.00 0.00 58.31 57.25 2brk n LYS 98 Cb 0.40 -2.43 0.07 0.00 -0.65 0.00 0.00 35.03 32.42 2brk n LYS 98 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2brk s SER 99 N -1.86 4.88 0.48 -5.58 0.15 0.24 -4.68 113.70 107.35 2brk s SER 99 Ca 0.76 1.89 0.29 0.00 0.70 0.00 0.00 55.95 59.58 2brk s SER 99 Cb -0.32 -2.53 0.90 0.00 -1.71 0.00 0.00 66.02 62.35 2brk s SER 99 CO 0.48 -1.78 1.81 0.11 1.20 0.00 0.00 173.24 175.06 2brk h LYS 100 N -0.52 0.00 -0.96 5.44 1.57 -1.94 -3.33 116.57 116.83 2brk h LYS 100 Ca -0.45 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 57.95 2brk h LYS 100 Cb 1.24 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.32 2brk h LYS 100 CO 0.53 0.00 0.48 1.19 -0.57 0.00 0.00 179.45 181.08 2brk n PHE 101 N -3.04 2.44 -0.31 -1.35 3.01 -1.26 -4.89 117.46 112.06 2brk n PHE 101 Ca 0.02 -1.49 0.00 0.00 1.01 0.00 0.00 57.45 56.99 2brk n PHE 101 Cb 0.40 -0.78 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 2brk n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2brk n GLY 102 N -0.69 0.91 3.38 1.37 0.00 -1.25 -5.02 105.19 103.89 2brk n GLY 102 Ca 0.46 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2brk n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2brk s TYR 103 N -2.00 0.02 0.30 1.61 -0.85 -1.26 -5.01 117.35 110.17 2brk s TYR 103 Ca 0.00 -0.38 0.02 0.00 -0.52 0.00 0.00 57.07 56.19 2brk s TYR 103 Cb 0.00 0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.52 2brk s TYR 103 CO 0.00 -0.76 0.07 0.41 -1.52 0.00 0.00 175.55 173.75 2brk n GLY 104 N -0.24 3.58 0.33 5.49 0.00 -1.26 -0.59 105.19 112.50 2brk n GLY 104 Ca -0.12 -2.13 0.14 0.00 0.00 0.00 0.00 46.02 43.91 2brk n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2brk h ALA 105 N 1.39 1.58 -0.54 4.61 0.00 -1.84 -0.95 119.26 123.51 2brk h ALA 105 Ca -0.24 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2brk h ALA 105 Cb 0.85 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2brk h ALA 105 CO 0.39 -0.23 -0.05 -0.22 0.00 0.00 0.00 179.25 179.13 2brk h LYS 106 N 0.56 0.96 -0.29 0.00 3.64 -1.92 -0.64 116.57 118.87 2brk h LYS 106 Ca 0.58 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2brk h LYS 106 Cb 1.04 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2brk h LYS 106 CO -0.46 0.98 0.08 -0.44 -2.27 0.00 0.00 179.45 177.34 2brk h ASP 107 N 0.87 0.44 0.07 4.20 3.32 -1.60 -1.81 116.42 121.90 2brk h ASP 107 Ca 0.15 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 57.01 2brk h ASP 107 Cb 0.58 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 2brk h ASP 107 CO 0.04 0.55 -0.35 0.58 -1.72 0.00 0.00 179.24 178.33 2brk h VAL 108 N 0.31 0.26 -0.12 -1.35 2.07 -1.12 -1.45 116.25 114.85 2brk h VAL 108 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2brk h VAL 108 Cb 0.27 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2brk h VAL 108 CO -0.00 0.00 0.08 0.03 0.02 0.00 0.00 177.57 177.70 2brk h ARG 109 N -0.55 0.14 -0.64 1.57 3.08 -1.10 -1.93 114.38 114.95 2brk h ARG 109 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2brk h ARG 109 Cb 0.60 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2brk h ARG 109 CO -0.24 0.09 0.00 0.09 -1.07 0.00 0.00 179.97 178.84 2brk n ASN 110 N -4.52 4.00 -3.67 7.04 4.13 -0.68 -4.73 115.26 116.82 2brk n ASN 110 Ca -0.01 -2.30 -0.22 0.00 1.68 0.00 0.00 54.58 53.73 2brk n ASN 110 Cb 0.09 -0.51 0.05 0.00 -1.54 0.00 0.00 39.78 37.87 2brk n ASN 110 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2brk n LEU 111 N 1.04 -3.23 -4.76 3.41 4.77 -0.73 -4.95 117.00 112.56 2brk n LEU 111 Ca 0.22 -0.74 -0.41 0.00 -0.03 0.00 0.00 56.01 55.05 2brk n LEU 111 Cb 0.73 -2.79 -0.02 0.00 -2.33 0.00 0.00 43.42 39.01 2brk n LEU 111 CO 0.19 0.44 1.01 -0.55 -1.33 0.00 0.00 177.39 177.16 2brk s SER 112 N -4.04 6.75 0.31 -1.43 0.15 -0.60 -4.90 113.70 109.94 2brk s SER 112 Ca 0.20 2.65 0.01 0.00 0.70 0.00 0.00 55.95 59.51 2brk s SER 112 Cb -0.09 -2.64 0.50 0.00 -1.71 0.00 0.00 66.02 62.08 2brk s SER 112 CO 0.79 -0.58 1.89 0.77 1.20 0.00 0.00 173.24 177.31 2brk h SER 113 N 4.02 0.71 -0.46 5.45 4.64 -1.92 -0.39 113.55 125.61 2brk h SER 113 Ca -0.48 -0.09 0.06 0.00 -0.47 0.00 0.00 61.79 60.81 2brk h SER 113 Cb 1.22 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 63.07 2brk h SER 113 CO 0.70 0.66 0.14 0.50 -0.87 0.00 0.00 176.83 177.96 2brk h LYS 114 N 0.77 0.29 -0.10 4.77 3.64 -1.97 -1.69 116.57 122.29 2brk h LYS 114 Ca 0.18 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 2brk h LYS 114 Cb 0.18 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2brk h LYS 114 CO -0.01 0.19 -0.41 0.00 -2.27 0.00 0.00 179.45 176.95 2brk h ALA 115 N 1.32 0.18 -0.56 5.00 0.00 -1.70 -2.76 119.26 120.73 2brk h ALA 115 Ca 0.22 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2brk h ALA 115 Cb 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2brk h ALA 115 CO -0.24 0.30 0.34 0.28 0.00 0.00 0.00 179.25 179.92 2brk h VAL 116 N 0.02 1.17 -0.42 0.00 2.07 -1.02 0.25 116.25 118.32 2brk h VAL 116 Ca -0.02 -0.39 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 2brk h VAL 116 Cb 1.05 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2brk h VAL 116 CO 0.09 0.18 -0.26 0.78 0.02 0.00 0.00 177.57 178.37 2brk h ASN 117 N 0.76 0.91 -0.52 0.57 4.21 -1.40 0.66 115.58 120.77 2brk h ASN 117 Ca 0.20 -0.35 -0.09 0.00 1.21 0.00 0.00 56.30 57.27 2brk h ASN 117 Cb -0.01 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 36.92 2brk h ASN 117 CO -0.04 1.11 -0.03 -0.74 -1.29 0.00 0.00 177.43 176.44 2brk h HIS 118 N 0.75 1.03 -0.07 1.19 2.76 -1.23 -2.06 115.15 117.52 2brk h HIS 118 Ca 0.09 -0.19 -0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2brk h HIS 118 Cb 0.81 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.51 2brk h HIS 118 CO 0.05 0.96 0.02 0.82 -1.30 0.00 0.00 177.93 178.48 2brk h ILE 119 N 0.80 1.16 -0.95 6.26 2.04 -0.55 0.12 117.51 126.39 2brk h ILE 119 Ca 0.14 -0.47 0.19 0.00 1.00 0.00 0.00 64.86 65.72 2brk h ILE 119 Cb 0.57 1.35 -0.11 0.00 -0.74 0.00 0.00 36.82 37.89 2brk h ILE 119 CO 0.03 0.13 0.53 0.45 0.00 0.00 0.00 178.15 179.29 2brk h HIS 120 N -0.07 0.92 -0.13 1.37 3.86 -0.90 0.38 115.15 120.58 2brk h HIS 120 Ca 0.02 0.04 -0.19 0.00 -1.16 0.00 0.00 60.37 59.07 2brk h HIS 120 Cb 0.19 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 2brk h HIS 120 CO -0.01 0.15 -0.70 0.66 0.86 0.00 0.00 177.93 178.89 2brk h SER 121 N 0.64 0.68 -0.35 2.45 4.64 -0.71 -1.49 113.55 119.41 2brk h SER 121 Ca 0.56 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2brk h SER 121 Cb 0.91 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 2brk h SER 121 CO -0.41 1.18 0.22 0.58 -0.87 0.00 0.00 176.83 177.53 2brk h VAL 122 N 0.41 1.10 -0.24 0.95 2.07 0.11 -1.94 116.25 118.71 2brk h VAL 122 Ca -0.03 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.31 2brk h VAL 122 Cb 1.29 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2brk h VAL 122 CO 0.13 0.10 -0.01 -0.25 0.02 0.00 0.00 177.57 177.57 2brk h TRP 123 N 0.46 -0.03 -0.69 1.57 2.91 -0.80 -0.31 115.95 119.06 2brk h TRP 123 Ca 0.13 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.18 2brk h TRP 123 Cb -0.02 0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 2brk h TRP 123 CO -0.05 -0.05 0.45 -0.22 -1.03 0.00 0.00 178.44 177.55 2brk h LYS 124 N 0.06 0.87 -0.76 2.65 3.64 -1.23 -0.89 116.57 120.91 2brk h LYS 124 Ca 0.11 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2brk h LYS 124 Cb 0.15 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 2brk h LYS 124 CO -0.20 0.58 0.44 0.22 -2.27 0.00 0.00 179.45 178.22 2brk h ASP 125 N 0.90 0.93 -1.01 4.20 3.58 -0.89 -0.79 116.42 123.34 2brk h ASP 125 Ca 0.26 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.64 2brk h ASP 125 Cb -0.06 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 40.70 2brk h ASP 125 CO -0.07 0.74 0.67 -0.07 -2.88 0.00 0.00 179.24 177.62 2brk h LEU 126 N 1.04 1.15 -0.77 2.28 3.38 -0.23 0.29 115.31 122.46 2brk h LEU 126 Ca 0.27 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 2brk h LEU 126 Cb 0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2brk h LEU 126 CO -0.05 0.84 -0.46 -0.07 0.09 0.00 0.00 178.44 178.79 2brk h LEU 127 N 1.36 0.00 0.00 1.67 3.38 -0.82 -3.33 115.31 117.57 2brk h LEU 127 Ca 0.37 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.21 2brk h LEU 127 Cb -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2brk h LEU 127 CO -0.08 0.46 -1.94 -0.62 0.09 0.00 0.00 178.44 176.34 2brk n GLU 128 N -3.55 0.66 -3.92 1.13 1.02 -0.33 -4.85 120.64 110.80 2brk n GLU 128 Ca -0.00 -0.06 -0.28 0.00 -0.02 0.00 0.00 57.16 56.79 2brk n GLU 128 Cb 0.57 -1.59 -0.16 0.00 -0.02 0.00 0.00 31.44 30.24 2brk n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2brk s ASP 129 N -5.03 2.74 -0.09 1.62 -1.08 0.98 -5.00 116.67 110.81 2brk s ASP 129 Ca -0.07 -0.59 0.15 0.00 -0.52 0.00 0.00 52.55 51.52 2brk s ASP 129 Cb 0.11 -0.97 0.48 0.00 -1.46 0.00 0.00 42.92 41.07 2brk s ASP 129 CO 0.86 -0.15 1.40 0.35 0.52 0.00 0.00 175.17 178.16 2brk n THR 130 N 4.85 1.65 0.00 1.71 -2.24 -1.26 -4.50 114.28 114.49 2brk n THR 130 Ca -0.13 -1.36 0.00 0.00 -2.27 0.00 0.00 64.05 60.29 2brk n THR 130 Cb 0.48 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2brk n THR 130 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2brk n VAL 131 N 0.29 0.00 -1.95 2.28 0.31 -1.26 -4.53 118.33 113.46 2brk n VAL 131 Ca 0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.09 2brk n VAL 131 Cb 0.70 -0.54 -0.03 0.00 -0.91 0.00 0.00 33.84 33.06 2brk n VAL 131 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2brk s THR 132 N -1.74 3.48 0.40 2.52 2.01 -1.26 -4.65 115.64 116.40 2brk s THR 132 Ca 0.00 0.56 -0.25 0.00 0.31 0.00 0.00 61.69 62.31 2brk s THR 132 Cb 0.00 -3.43 -0.11 0.00 0.01 0.00 0.00 72.50 68.97 2brk s THR 132 CO 0.00 -0.12 1.08 -2.65 -0.69 0.00 0.00 174.62 172.23 2brk n PRO 133 N 7.53 1.50 -4.03 4.92 -0.02 -1.26 -4.72 135.00 138.92 2brk n PRO 133 Ca 0.19 0.54 -0.36 0.00 -2.02 0.00 0.00 63.50 61.85 2brk n PRO 133 Cb 0.44 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 2brk n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2brk s ILE 134 N -1.23 5.14 0.30 4.25 1.01 -0.03 -4.93 121.20 125.71 2brk s ILE 134 Ca 0.62 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.00 2brk s ILE 134 Cb -0.56 -3.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 2brk s ILE 134 CO 0.58 0.58 1.20 -0.62 0.00 0.00 0.00 174.94 176.68 2brk s ASP 135 N -1.10 7.03 0.16 3.58 2.15 -1.26 -4.19 116.67 123.04 2brk s ASP 135 Ca 0.16 2.47 0.09 0.00 0.43 0.00 0.00 52.55 55.69 2brk s ASP 135 Cb -0.12 -2.64 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 2brk s ASP 135 CO 0.05 -0.34 -0.19 0.42 -0.17 0.00 0.00 175.17 174.95 2brk s THR 136 N -1.11 1.85 -0.01 1.71 -4.23 -0.88 -4.24 115.64 108.73 2brk s THR 136 Ca 0.47 -1.90 -0.09 0.00 -1.18 0.00 0.00 61.69 58.99 2brk s THR 136 Cb -0.36 -1.85 -0.05 0.00 1.34 0.00 0.00 72.50 71.59 2brk s THR 136 CO 0.46 -0.28 0.28 -0.89 -0.54 0.00 0.00 174.62 173.66 2brk s THR 137 N -1.96 5.26 -0.11 3.99 2.01 0.22 -0.66 115.64 124.40 2brk s THR 137 Ca 0.16 0.36 0.03 0.00 0.31 0.00 0.00 61.69 62.54 2brk s THR 137 Cb -0.06 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 2brk s THR 137 CO 0.07 0.46 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.75 2brk s ILE 138 N -1.20 2.42 0.07 1.82 2.07 -0.53 -1.94 121.20 123.90 2brk s ILE 138 Ca 0.24 -0.90 0.02 0.00 -1.41 0.00 0.00 60.65 58.61 2brk s ILE 138 Cb -0.14 -1.96 -0.03 0.00 0.13 0.00 0.00 42.46 40.47 2brk s ILE 138 CO 0.13 0.55 -0.08 -0.04 -1.91 0.00 0.00 174.94 173.59 2brk s MET 139 N 0.29 0.66 0.05 3.50 -1.94 -0.52 -4.34 119.30 117.01 2brk s MET 139 Ca -0.15 -0.97 -0.25 0.00 -1.71 0.00 0.00 55.69 52.61 2brk s MET 139 Cb -0.17 -0.31 -0.06 0.00 2.01 0.00 0.00 34.83 36.30 2brk s MET 139 CO 0.07 0.04 0.77 0.00 -0.01 0.00 0.00 175.02 175.89 2brk s ALA 140 N -2.13 3.37 0.20 3.03 0.00 -1.26 -1.37 121.76 123.60 2brk s ALA 140 Ca -0.02 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 2brk s ALA 140 Cb -0.05 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 20.00 2brk s ALA 140 CO -0.01 0.08 1.05 0.21 0.00 0.00 0.00 175.76 177.09 2brk s LYS 141 N -0.13 4.67 -0.62 0.00 2.20 0.26 -4.81 119.74 121.31 2brk s LYS 141 Ca 0.38 1.65 -0.15 0.00 -0.36 0.00 0.00 55.97 57.50 2brk s LYS 141 Cb -0.21 -3.27 0.16 0.00 -1.51 0.00 0.00 37.83 33.00 2brk s LYS 141 CO 0.23 0.22 0.57 -0.80 -0.36 0.00 0.00 175.35 175.20 2brk s ASN 142 N -0.48 6.30 0.01 1.43 0.02 -1.26 -4.40 114.94 116.55 2brk s ASN 142 Ca 0.46 -2.09 0.06 0.00 -1.02 0.00 0.00 52.86 50.27 2brk s ASN 142 Cb -0.28 -2.19 -0.02 0.00 0.02 0.00 0.00 41.25 38.78 2brk s ASN 142 CO 0.35 -0.75 -0.19 -1.61 0.02 0.00 0.00 177.10 174.92 2brk s GLU 143 N 1.12 1.42 -0.07 -0.60 2.02 -1.26 -4.87 118.70 116.47 2brk s GLU 143 Ca 0.08 -0.74 -0.21 0.00 0.02 0.00 0.00 54.97 54.12 2brk s GLU 143 Cb -0.24 -1.42 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 2brk s GLU 143 CO -0.01 0.38 0.61 0.08 0.02 0.00 0.00 175.26 176.34 2brk s VAL 144 N -0.56 5.06 0.42 2.63 1.01 -1.26 -1.28 120.40 126.41 2brk s VAL 144 Ca 0.07 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.34 2brk s VAL 144 Cb -0.08 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2brk s VAL 144 CO 0.00 0.31 0.13 -0.36 0.00 0.00 0.00 175.10 175.18 2brk s PHE 145 N 0.53 1.79 0.14 5.22 0.40 0.91 -4.84 117.98 122.12 2brk s PHE 145 Ca 0.33 -1.29 0.11 0.00 -0.60 0.00 0.00 56.93 55.48 2brk s PHE 145 Cb -0.17 -1.18 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 2brk s PHE 145 CO 0.16 -0.29 -0.26 0.00 0.70 0.00 0.00 175.22 175.53 2brk n VAL 147 N 0.84 0.73 0.00 0.00 0.31 -0.57 -4.95 118.33 114.70 2brk n VAL 147 Ca -0.17 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2brk n VAL 147 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 2brk n VAL 147 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2brk n GLY 153 N 0.85 1.32 3.75 2.92 0.00 -1.26 -5.08 105.19 107.70 2brk n GLY 153 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2brk n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2brk s ARG 154 N 0.53 4.37 0.09 1.61 0.52 -1.26 -5.01 118.95 119.79 2brk s ARG 154 Ca 0.00 2.14 -0.20 0.00 -0.52 0.00 0.00 55.73 57.15 2brk s ARG 154 Cb 0.00 -3.14 -0.07 0.00 0.52 0.00 0.00 34.95 32.26 2brk s ARG 154 CO 0.00 -0.25 0.61 -1.59 0.02 0.00 0.00 175.30 174.09 2brk s LYS 155 N -0.70 4.27 0.87 3.54 -2.85 -1.26 -5.07 119.74 118.53 2brk s LYS 155 Ca 0.54 0.81 -0.11 0.00 -1.00 0.00 0.00 55.97 56.22 2brk s LYS 155 Cb -0.38 -3.24 0.12 0.00 -2.06 0.00 0.00 37.83 32.26 2brk s LYS 155 CO 0.43 0.63 1.09 -1.25 0.10 0.00 0.00 175.35 176.35 2brk s PRO 156 N -1.11 1.44 0.41 1.78 0.04 -1.26 -4.86 135.00 131.43 2brk s PRO 156 Ca 0.30 0.99 -0.27 0.00 0.04 0.00 0.00 61.00 62.06 2brk s PRO 156 Cb -0.20 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 2brk s PRO 156 CO 0.20 -2.16 1.43 0.00 0.04 0.00 0.00 177.00 176.51 2brk s ALA 157 N -2.88 3.39 0.45 8.56 0.00 -1.26 -4.95 121.76 125.07 2brk s ALA 157 Ca 0.63 1.47 -0.21 0.00 0.00 0.00 0.00 51.96 53.86 2brk s ALA 157 Cb -0.18 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.26 2brk s ALA 157 CO 0.57 -1.06 0.99 1.03 0.00 0.00 0.00 175.76 177.29 2brk s ARG 158 N -2.24 4.04 -0.09 0.00 0.52 -1.26 -4.65 118.95 115.26 2brk s ARG 158 Ca 0.56 1.23 -0.15 0.00 -0.52 0.00 0.00 55.73 56.86 2brk s ARG 158 Cb -0.44 -2.14 -0.05 0.00 0.52 0.00 0.00 34.95 32.84 2brk s ARG 158 CO 0.58 -0.21 0.36 -0.51 0.02 0.00 0.00 175.30 175.54 2brk s LEU 159 N -3.31 4.34 -0.13 2.53 1.43 -1.26 -0.58 118.68 121.70 2brk s LEU 159 Ca 0.64 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 54.46 2brk s LEU 159 Cb -0.12 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2brk s LEU 159 CO 0.16 0.18 -0.09 -0.51 0.23 0.00 0.00 176.35 176.32 2brk s ILE 160 N -0.14 3.43 -0.17 -0.59 1.10 -0.47 -4.82 121.20 119.55 2brk s ILE 160 Ca 0.21 -0.53 0.01 0.00 -0.51 0.00 0.00 60.65 59.82 2brk s ILE 160 Cb -0.15 -2.46 0.03 0.00 0.15 0.00 0.00 42.46 40.03 2brk s ILE 160 CO 0.08 0.52 -0.13 -0.69 -2.11 0.00 0.00 174.94 172.62 2brk s VAL 161 N 0.21 1.63 -0.01 4.00 1.01 -1.26 -1.44 120.40 124.54 2brk s VAL 161 Ca -0.06 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 2brk s VAL 161 Cb -0.15 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.65 2brk s VAL 161 CO 0.04 0.35 0.15 0.72 0.00 0.00 0.00 175.10 176.36 2brk s PHE 162 N 1.44 -0.02 0.86 5.22 -0.12 -0.82 -0.64 117.98 123.91 2brk s PHE 162 Ca 0.03 0.02 -0.09 0.00 -0.05 0.00 0.00 56.93 56.83 2brk s PHE 162 Cb -0.14 -0.02 0.17 0.00 -0.63 0.00 0.00 43.02 42.41 2brk s PHE 162 CO -0.10 -0.25 1.18 -1.25 -0.05 0.00 0.00 175.22 174.76 2brk s PRO 163 N -1.05 1.06 0.68 1.99 0.04 -1.26 -0.61 135.00 135.85 2brk s PRO 163 Ca -0.11 -0.75 -0.16 0.00 0.04 0.00 0.00 61.00 60.01 2brk s PRO 163 Cb -0.06 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2brk s PRO 163 CO 0.01 -2.02 1.19 0.34 0.04 0.00 0.00 177.00 176.56 2brk s ASP 164 N -4.84 4.66 0.37 6.66 -1.08 -1.26 -4.77 116.67 116.41 2brk s ASP 164 Ca 0.71 2.29 0.16 0.00 -0.52 0.00 0.00 52.55 55.19 2brk s ASP 164 Cb -0.04 -2.58 1.05 0.00 -1.46 0.00 0.00 42.92 39.88 2brk s ASP 164 CO 0.49 -1.95 1.74 0.25 0.52 0.00 0.00 175.17 176.23 2brk h LEU 165 N 0.09 0.52 -0.44 -1.34 5.85 -1.83 -1.73 115.31 116.44 2brk h LEU 165 Ca -0.48 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.28 2brk h LEU 165 Cb 1.29 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 2brk h LEU 165 CO 0.52 0.06 0.01 1.23 -0.34 0.00 0.00 178.44 179.92 2brk h GLY 166 N 0.44 0.83 1.12 3.75 0.00 -1.95 -0.97 103.07 106.28 2brk h GLY 166 Ca 0.63 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2brk h GLY 166 CO -0.38 0.55 0.43 -2.08 0.00 0.00 0.00 176.54 175.06 2brk h VAL 167 N 0.61 1.24 -0.19 4.60 2.07 -1.73 -2.75 116.25 120.10 2brk h VAL 167 Ca 0.12 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 2brk h VAL 167 Cb 0.48 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2brk h VAL 167 CO 0.02 0.28 -0.27 0.03 0.02 0.00 0.00 177.57 177.65 2brk h ARG 168 N 1.15 0.36 -0.20 1.57 3.08 -0.57 -0.48 114.38 119.29 2brk h ARG 168 Ca 0.29 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 2brk h ARG 168 Cb 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2brk h ARG 168 CO -0.04 0.61 -0.03 0.28 -1.07 0.00 0.00 179.97 179.71 2brk h VAL 169 N 0.32 1.28 -0.36 2.04 2.07 -1.17 -2.95 116.25 117.48 2brk h VAL 169 Ca 0.05 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.63 2brk h VAL 169 Cb 0.65 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2brk h VAL 169 CO 0.05 0.30 0.24 0.00 0.02 0.00 0.00 177.57 178.18 2brk h GLU 171 N 0.29 0.84 -0.70 0.00 5.08 -0.93 -2.16 114.58 117.00 2brk h GLU 171 Ca 0.15 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2brk h GLU 171 Cb 0.25 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2brk h GLU 171 CO -0.03 0.78 0.44 0.87 -1.00 0.00 0.00 179.01 180.07 2brk h LYS 172 N 0.75 0.93 -0.10 2.33 1.57 -1.22 0.38 116.57 121.22 2brk h LYS 172 Ca 0.17 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2brk h LYS 172 Cb 0.29 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2brk h LYS 172 CO -0.00 0.64 -0.10 0.52 -0.57 0.00 0.00 179.45 179.93 2brk h MET 173 N 0.95 -0.12 -0.08 3.15 2.86 -1.02 0.76 114.93 121.43 2brk h MET 173 Ca 0.25 0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.75 2brk h MET 173 Cb -0.07 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2brk h MET 173 CO -0.05 -0.08 -0.63 0.00 1.06 0.00 0.00 176.91 177.21 2brk h ALA 174 N 0.94 0.79 0.00 6.32 0.00 -1.25 -1.41 119.26 124.66 2brk h ALA 174 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2brk h ALA 174 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2brk h ALA 174 CO -0.18 0.74 0.00 1.28 0.00 0.00 0.00 179.25 181.09 2brk n LEU 175 N -3.86 0.14 -0.00 0.00 4.77 0.11 -4.76 117.00 113.40 2brk n LEU 175 Ca -0.03 -0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 55.64 2brk n LEU 175 Cb 0.64 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 2brk n LEU 175 CO 0.45 0.04 0.84 0.22 -1.33 0.00 0.00 177.39 177.61 2brk h TYR 176 N 0.00 0.11 -0.48 -1.77 3.20 -0.92 0.14 116.97 117.26 2brk h TYR 176 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2brk h TYR 176 Cb 0.22 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2brk h TYR 176 CO 0.00 0.19 0.31 0.22 -1.64 0.00 0.00 178.16 177.24 2brk h ASP 177 N 0.01 0.56 -0.05 -2.11 3.58 -1.78 -2.32 116.42 114.31 2brk h ASP 177 Ca 0.03 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2brk h ASP 177 Cb 0.12 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 2brk h ASP 177 CO -0.00 0.42 -0.03 0.58 -2.88 0.00 0.00 179.24 177.33 2brk h VAL 178 N 0.66 1.33 0.00 2.25 2.07 -1.70 -3.10 116.25 117.76 2brk h VAL 178 Ca 0.18 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2brk h VAL 178 Cb -0.06 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2brk h VAL 178 CO -0.04 0.28 -0.07 -0.37 0.02 0.00 0.00 177.57 177.40 2brk h VAL 179 N -0.29 0.15 -0.07 2.57 -1.51 -0.81 0.49 116.25 116.78 2brk h VAL 179 Ca 0.01 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 2brk h VAL 179 Cb 0.47 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 2brk h VAL 179 CO 0.01 0.07 0.00 -1.54 -1.23 0.00 0.00 177.57 174.88 2brk n SER 180 N -3.15 2.01 0.00 4.19 3.41 -0.89 -4.48 113.62 114.71 2brk n SER 180 Ca 0.02 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 2brk n SER 180 Cb 0.42 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2brk n SER 180 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2brk n THR 181 N 0.56 0.00 -0.08 6.66 -1.04 -1.04 -4.94 114.28 114.41 2brk n THR 181 Ca 0.17 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.06 2brk n THR 181 Cb 0.42 -0.86 -0.05 0.00 -1.82 0.00 0.00 70.33 68.02 2brk n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2brk h LEU 182 N 0.00 0.46 -0.66 -4.42 6.46 -1.13 -3.27 115.31 112.76 2brk h LEU 182 Ca 0.00 -0.41 0.04 0.00 -0.12 0.00 0.00 57.88 57.39 2brk h LEU 182 Cb 0.68 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.43 2brk h LEU 182 CO 0.00 0.77 0.40 -0.65 -0.62 0.00 0.00 178.44 178.34 2brk h PRO 183 N 0.16 0.75 -0.45 5.25 0.11 -1.80 -0.81 132.00 135.21 2brk h PRO 183 Ca 0.05 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 2brk h PRO 183 Cb 0.59 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 2brk h PRO 183 CO 0.03 0.49 0.11 0.37 -0.21 0.00 0.00 178.00 178.79 2brk h GLN 184 N 0.77 0.67 -0.33 1.05 4.15 -1.88 0.23 115.11 119.77 2brk h GLN 184 Ca 0.28 -0.12 -0.15 0.00 0.77 0.00 0.00 58.65 59.42 2brk h GLN 184 Cb 0.07 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.65 2brk h GLN 184 CO -0.13 0.62 -0.38 0.28 -1.93 0.00 0.00 178.83 177.29 2brk h VAL 185 N 0.66 1.29 0.03 2.39 2.07 -1.39 0.13 116.25 121.42 2brk h VAL 185 Ca 0.15 -1.55 -0.27 0.00 0.82 0.00 0.00 66.70 65.84 2brk h VAL 185 Cb 0.25 1.52 0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2brk h VAL 185 CO -0.00 0.51 -1.09 0.58 0.02 0.00 0.00 177.57 177.59 2brk h VAL 186 N 0.61 1.28 -0.00 2.57 2.07 -0.87 -3.35 116.25 118.55 2brk h VAL 186 Ca 0.05 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.27 2brk h VAL 186 Cb 0.97 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 2brk h VAL 186 CO 0.09 0.71 -0.62 0.23 0.02 0.00 0.00 177.57 178.00 2brk n MET 187 N -3.85 1.62 0.00 1.57 2.81 0.77 -4.91 117.12 115.13 2brk n MET 187 Ca -0.12 -0.32 0.00 0.00 -1.81 0.00 0.00 57.70 55.46 2brk n MET 187 Cb 0.91 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 32.13 2brk n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2brk n GLY 188 N 1.31 2.97 0.31 3.03 0.00 0.04 -1.60 105.19 111.25 2brk n GLY 188 Ca 0.05 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.19 2brk n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2brk h SER 189 N 0.82 0.00 0.80 1.61 4.64 -1.95 -2.05 113.55 117.42 2brk h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2brk h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2brk h SER 189 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 2brk n SER 190 N -3.00 0.00 -4.55 4.97 7.64 -0.63 -4.70 113.62 113.36 2brk n SER 190 Ca -0.02 0.41 -0.40 0.00 1.01 0.00 0.00 58.87 59.86 2brk n SER 190 Cb 0.11 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 2brk n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2brk s TYR 191 N -2.93 2.18 0.37 1.43 5.04 -0.77 -1.01 117.35 121.65 2brk s TYR 191 Ca 0.14 0.05 0.10 0.00 -2.44 0.00 0.00 57.07 54.93 2brk s TYR 191 Cb 0.16 -4.53 0.86 0.00 0.35 0.00 0.00 41.96 38.81 2brk s TYR 191 CO 0.44 -2.11 1.88 0.78 -1.34 0.00 0.00 175.55 175.21 2brk h GLY 192 N 13.69 1.09 2.00 8.97 0.00 -1.16 -3.12 103.07 124.54 2brk h GLY 192 Ca -0.24 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2brk h GLY 192 CO 1.28 0.09 0.00 0.69 0.00 0.00 0.00 176.54 178.60 2brk n PHE 193 N -4.54 0.10 0.75 5.60 3.01 -1.26 -2.41 117.46 118.70 2brk n PHE 193 Ca 0.17 0.04 0.12 0.00 1.01 0.00 0.00 57.45 58.79 2brk n PHE 193 Cb 0.48 -0.56 0.49 0.00 -0.01 0.00 0.00 39.48 39.88 2brk n PHE 193 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2brk n GLN 194 N -1.59 0.08 -4.10 -1.08 10.64 -1.18 -4.85 117.38 115.31 2brk n GLN 194 Ca 0.03 0.15 -0.35 0.00 -1.83 0.00 0.00 57.00 55.00 2brk n GLN 194 Cb 0.18 -1.61 -0.08 0.00 -0.86 0.00 0.00 30.24 27.87 2brk n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2brk s TYR 195 N -3.06 3.33 1.07 2.61 4.12 -1.01 -5.06 117.35 119.35 2brk s TYR 195 Ca 0.11 0.26 -0.14 0.00 0.02 0.00 0.00 57.07 57.32 2brk s TYR 195 Cb 0.14 -1.93 0.22 0.00 -1.52 0.00 0.00 41.96 38.88 2brk s TYR 195 CO 0.48 0.46 1.09 -1.54 0.02 0.00 0.00 175.55 176.05 2brk s SER 196 N -0.53 2.03 0.22 2.29 1.04 -1.26 -4.78 113.70 112.72 2brk s SER 196 Ca 0.11 1.06 -0.08 0.00 0.48 0.00 0.00 55.95 57.52 2brk s SER 196 Cb -0.12 -1.64 0.19 0.00 0.10 0.00 0.00 66.02 64.55 2brk s SER 196 CO 0.02 -3.48 1.85 -0.65 0.98 0.00 0.00 173.24 171.95 2brk h PRO 197 N -2.14 1.18 -0.47 4.02 0.11 -1.91 0.04 132.00 132.83 2brk h PRO 197 Ca -0.53 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 65.35 2brk h PRO 197 Cb 1.33 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2brk h PRO 197 CO 0.52 0.86 -0.07 0.78 -0.21 0.00 0.00 178.00 179.88 2brk h GLY 198 N 1.18 0.90 1.25 -0.55 0.00 -1.94 -1.34 103.07 102.58 2brk h GLY 198 Ca 0.30 -0.66 -0.16 0.00 0.00 0.00 0.00 47.33 46.81 2brk h GLY 198 CO -0.05 0.61 -0.42 1.46 0.00 0.00 0.00 176.54 178.14 2brk h GLN 199 N 0.76 0.82 -0.14 4.80 4.20 -1.83 -1.05 115.11 122.67 2brk h GLN 199 Ca 0.13 -0.44 0.01 0.00 0.06 0.00 0.00 58.65 58.41 2brk h GLN 199 Cb 0.56 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2brk h GLN 199 CO 0.03 1.07 0.06 -0.09 -0.67 0.00 0.00 178.83 179.24 2brk h ARG 200 N 0.66 0.14 -0.91 1.46 2.43 -0.79 -0.73 114.38 116.64 2brk h ARG 200 Ca 0.05 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 2brk h ARG 200 Cb 0.99 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.44 2brk h ARG 200 CO 0.09 0.09 0.56 0.28 -1.51 0.00 0.00 179.97 179.49 2brk h VAL 201 N 0.14 1.01 -0.42 0.20 2.07 -1.12 -1.17 116.25 116.96 2brk h VAL 201 Ca 0.06 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 2brk h VAL 201 Cb 0.02 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 2brk h VAL 201 CO -0.04 0.18 -0.07 -0.08 0.02 0.00 0.00 177.57 177.57 2brk h GLU 202 N 0.99 0.80 0.06 1.57 4.81 -0.72 0.11 114.58 122.21 2brk h GLU 202 Ca 0.41 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2brk h GLU 202 Cb 0.24 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2brk h GLU 202 CO -0.20 0.91 -0.03 0.35 -0.73 0.00 0.00 179.01 179.31 2brk h PHE 203 N 0.63 -0.08 -0.02 0.92 3.57 -0.92 -0.94 116.94 120.10 2brk h PHE 203 Ca 0.11 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2brk h PHE 203 Cb 0.60 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 2brk h PHE 203 CO 0.05 0.01 0.01 -0.07 -2.23 0.00 0.00 178.31 176.08 2brk h LEU 204 N -0.14 0.03 -0.31 0.59 3.38 -1.01 -0.81 115.31 117.03 2brk h LEU 204 Ca -0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2brk h LEU 204 Cb 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2brk h LEU 204 CO 0.01 0.05 0.12 0.58 0.09 0.00 0.00 178.44 179.29 2brk h VAL 205 N -0.00 1.19 -0.44 1.22 2.07 -0.79 0.26 116.25 119.76 2brk h VAL 205 Ca 0.01 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 2brk h VAL 205 Cb 0.03 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2brk h VAL 205 CO -0.00 0.20 0.07 0.78 0.02 0.00 0.00 177.57 178.64 2brk h ASN 206 N 0.35 0.62 -0.14 0.57 2.35 -1.11 -0.89 115.58 117.33 2brk h ASN 206 Ca 0.10 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2brk h ASN 206 Cb 0.20 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 2brk h ASN 206 CO -0.01 0.65 -0.04 0.74 -1.65 0.00 0.00 177.43 177.12 2brk h THR 207 N 0.64 1.29 -0.53 2.81 2.02 -0.84 -2.34 112.91 115.96 2brk h THR 207 Ca 0.14 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.37 2brk h THR 207 Cb 0.30 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 2brk h THR 207 CO 0.00 0.29 0.29 -0.25 0.37 0.00 0.00 175.52 176.22 2brk h TRP 208 N -0.03 0.53 0.00 3.16 2.91 -0.66 -2.53 115.95 119.32 2brk h TRP 208 Ca 0.04 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2brk h TRP 208 Cb 0.47 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 28.96 2brk h TRP 208 CO 0.05 0.27 0.00 0.87 -1.03 0.00 0.00 178.44 178.60 2brk h LYS 209 N 0.55 0.00 0.00 2.65 1.57 -1.16 -2.94 116.57 117.24 2brk h LYS 209 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2brk h LYS 209 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2brk h LYS 209 CO -0.15 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.60 2brk n SER 210 N -3.00 0.56 -4.83 0.86 3.41 -0.88 -4.80 113.62 104.94 2brk n SER 210 Ca 0.02 0.58 -0.37 0.00 -0.26 0.00 0.00 58.87 58.83 2brk n SER 210 Cb 0.39 -0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 2brk n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2brk s LYS 211 N -3.12 4.04 0.06 4.33 -0.14 -1.11 -5.02 119.74 118.78 2brk s LYS 211 Ca 0.10 0.55 -0.19 0.00 -1.36 0.00 0.00 55.97 55.07 2brk s LYS 211 Cb 0.13 -3.12 -0.12 0.00 -1.68 0.00 0.00 37.83 33.04 2brk s LYS 211 CO 0.51 0.60 1.39 0.87 -0.76 0.00 0.00 175.35 177.96 2brk h LYS 212 N 4.22 0.46 -2.90 1.68 1.57 -1.88 -3.38 116.57 116.34 2brk h LYS 212 Ca -0.50 -0.22 -0.61 0.00 -1.87 0.00 0.00 60.65 57.45 2brk h LYS 212 Cb 1.21 -0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.12 2brk h LYS 212 CO 0.64 0.78 -0.75 -0.80 -0.57 0.00 0.00 179.45 178.74 2brk s ASN 213 N -6.19 3.48 0.30 0.86 0.01 -1.26 -5.08 114.94 107.05 2brk s ASN 213 Ca -0.14 -2.77 -0.29 0.00 -0.71 0.00 0.00 52.86 48.95 2brk s ASN 213 Cb 0.06 -0.99 -0.10 0.00 0.41 0.00 0.00 41.25 40.63 2brk s ASN 213 CO 0.77 -0.24 1.26 -2.16 -1.51 0.00 0.00 177.10 175.22 2brk s PRO 214 N 0.18 4.43 0.05 -0.60 0.04 -1.26 -0.36 135.00 137.48 2brk s PRO 214 Ca 0.20 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.38 2brk s PRO 214 Cb -0.19 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 2brk s PRO 214 CO -0.04 -0.10 -0.13 1.41 0.04 0.00 0.00 177.00 178.18 2brk s MET 215 N -1.49 0.85 0.22 4.56 1.75 -0.51 -4.68 119.30 119.99 2brk s MET 215 Ca 0.49 -0.80 -0.15 0.00 -1.25 0.00 0.00 55.69 53.98 2brk s MET 215 Cb -0.37 -0.84 0.01 0.00 2.84 0.00 0.00 34.83 36.47 2brk s MET 215 CO 0.48 0.20 0.49 0.20 -0.65 0.00 0.00 175.02 175.74 2brk s GLY 216 N -1.33 0.18 -0.04 2.11 0.00 -0.47 -0.88 107.32 106.89 2brk s GLY 216 Ca -0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 44.72 43.90 2brk s GLY 216 CO 0.01 -0.44 0.62 -0.11 0.00 0.00 0.00 173.10 173.18 2brk s PHE 217 N -3.94 -0.58 0.05 1.90 -0.71 -0.65 -0.29 117.98 113.77 2brk s PHE 217 Ca 0.15 0.97 -0.05 0.00 -1.04 0.00 0.00 56.93 56.96 2brk s PHE 217 Cb -0.01 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 42.12 2brk s PHE 217 CO 0.02 -0.58 0.29 -1.54 -1.34 0.00 0.00 175.22 172.07 2brk s SER 218 N -1.25 6.47 0.05 1.98 1.04 -1.26 -1.49 113.70 119.25 2brk s SER 218 Ca -0.11 0.52 0.06 0.00 0.48 0.00 0.00 55.95 56.90 2brk s SER 218 Cb -0.01 -2.07 -0.03 0.00 0.10 0.00 0.00 66.02 64.02 2brk s SER 218 CO 0.09 0.19 -0.16 -0.47 0.98 0.00 0.00 173.24 173.87 2brk s TYR 219 N -1.42 1.37 -0.11 5.02 5.04 -0.32 -4.62 117.35 122.31 2brk s TYR 219 Ca 0.32 -0.39 -0.07 0.00 -2.44 0.00 0.00 57.07 54.49 2brk s TYR 219 Cb -0.13 -0.80 0.04 0.00 0.35 0.00 0.00 41.96 41.43 2brk s TYR 219 CO 0.20 0.07 0.28 0.34 -1.34 0.00 0.00 175.55 175.10 2brk s ASP 220 N -1.36 -0.31 0.13 4.32 2.15 -1.26 -1.29 116.67 119.05 2brk s ASP 220 Ca 0.02 0.59 -0.24 0.00 0.43 0.00 0.00 52.55 53.36 2brk s ASP 220 Cb -0.09 0.51 -0.07 0.00 -0.30 0.00 0.00 42.92 42.96 2brk s ASP 220 CO 0.02 -0.15 0.72 -0.89 -0.17 0.00 0.00 175.17 174.69 2brk s THR 221 N 1.00 4.50 -0.29 1.71 2.01 -1.25 -2.13 115.64 121.19 2brk s THR 221 Ca -0.07 1.56 -0.29 0.00 0.31 0.00 0.00 61.69 63.21 2brk s THR 221 Cb -0.08 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 2brk s THR 221 CO -0.07 0.52 1.49 -0.60 -0.69 0.00 0.00 174.62 175.27 2brk s ARG 222 N -1.05 3.77 -1.07 4.92 3.52 -0.56 -3.87 118.95 124.61 2brk s ARG 222 Ca 0.34 1.38 -0.14 0.00 -0.13 0.00 0.00 55.73 57.19 2brk s ARG 222 Cb -0.22 -3.99 -0.03 0.00 -1.56 0.00 0.00 34.95 29.15 2brk s ARG 222 CO 0.24 -1.32 0.82 0.00 -0.81 0.00 0.00 175.30 174.24 2brk h PHE 224 N -1.40 -0.25 -0.92 0.00 3.57 -1.96 -1.90 116.94 114.09 2brk h PHE 224 Ca -0.60 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.09 2brk h PHE 224 Cb 1.32 0.14 -0.10 0.00 2.79 0.00 0.00 35.95 40.09 2brk h PHE 224 CO 0.31 -0.16 0.51 -0.44 -2.23 0.00 0.00 178.31 176.31 2brk h ASP 225 N -0.09 0.64 0.78 0.41 5.19 -1.90 0.09 116.42 121.53 2brk h ASP 225 Ca 0.10 0.10 -0.11 0.00 -0.62 0.00 0.00 57.03 56.50 2brk h ASP 225 Cb 0.24 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 2brk h ASP 225 CO -0.24 0.24 -0.50 0.28 -3.12 0.00 0.00 179.24 175.90 2brk h SER 226 N 0.68 0.00 0.97 6.45 0.02 -1.66 -1.99 113.55 118.03 2brk h SER 226 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 2brk h SER 226 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2brk h SER 226 CO -0.38 0.50 0.00 0.35 -1.14 0.00 0.00 176.83 176.16 2brk n THR 227 N -3.63 0.75 -2.42 -2.27 -2.24 -0.01 -4.76 114.28 99.69 2brk n THR 227 Ca -0.01 0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 2brk n THR 227 Cb 0.57 -0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 67.80 2brk n THR 227 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2brk s VAL 228 N -3.25 4.25 0.54 2.28 1.01 -1.00 -4.85 120.40 119.37 2brk s VAL 228 Ca 0.06 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.59 2brk s VAL 228 Cb 0.10 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2brk s VAL 228 CO 0.46 -0.09 0.76 0.42 0.00 0.00 0.00 175.10 176.65 2brk s THR 229 N 3.10 2.95 0.22 3.92 -4.23 -1.26 -4.02 115.64 116.32 2brk s THR 229 Ca 0.55 -0.60 -0.08 0.00 -1.18 0.00 0.00 61.69 60.38 2brk s THR 229 Cb -0.23 -3.11 0.17 0.00 1.34 0.00 0.00 72.50 70.67 2brk s THR 229 CO 0.17 -0.08 1.83 -0.08 -0.54 0.00 0.00 174.62 175.92 2brk h GLU 230 N 0.11 0.80 -0.89 3.99 4.81 -1.87 -1.23 114.58 120.30 2brk h GLU 230 Ca -0.43 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2brk h GLU 230 Cb 1.29 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2brk h GLU 230 CO 0.54 0.53 0.54 -0.97 -0.73 0.00 0.00 179.01 178.92 2brk h ASN 231 N 0.82 1.06 -0.47 1.04 -1.24 -1.97 -0.56 115.58 114.26 2brk h ASN 231 Ca 0.33 -0.06 0.02 0.00 0.71 0.00 0.00 56.30 57.30 2brk h ASN 231 Cb 0.16 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 2brk h ASN 231 CO -0.17 0.81 0.28 0.44 -1.29 0.00 0.00 177.43 177.50 2brk h ASP 232 N 1.22 0.46 -0.07 1.15 3.32 -1.76 0.21 116.42 120.95 2brk h ASP 232 Ca 0.32 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.27 2brk h ASP 232 Cb -0.07 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2brk h ASP 232 CO -0.06 0.33 -0.26 0.40 -1.72 0.00 0.00 179.24 177.92 2brk h ILE 233 N 0.57 1.27 0.00 0.35 2.04 -0.87 -1.04 117.51 119.82 2brk h ILE 233 Ca 0.19 -1.30 -0.17 0.00 1.00 0.00 0.00 64.86 64.58 2brk h ILE 233 Cb 0.01 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2brk h ILE 233 CO -0.08 0.41 -0.80 0.03 0.00 0.00 0.00 178.15 177.71 2brk h ARG 234 N 0.44 0.00 -0.42 2.37 3.08 -0.66 -2.17 114.38 117.03 2brk h ARG 234 Ca 0.06 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 2brk h ARG 234 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2brk h ARG 234 CO 0.05 0.80 -0.05 0.28 -1.07 0.00 0.00 179.97 179.99 2brk h VAL 235 N 0.00 1.27 -0.56 2.04 2.07 -0.30 -0.96 116.25 119.81 2brk h VAL 235 Ca -0.01 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.41 2brk h VAL 235 Cb 1.45 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 2brk h VAL 235 CO 0.10 0.37 0.37 -0.33 0.02 0.00 0.00 177.57 178.11 2brk h GLU 236 N 0.59 0.74 -0.87 1.57 5.08 -1.08 -1.02 114.58 119.59 2brk h GLU 236 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2brk h GLU 236 Cb 0.55 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2brk h GLU 236 CO 0.03 0.49 0.52 1.49 -1.00 0.00 0.00 179.01 180.54 2brk h GLU 237 N 0.76 1.19 -0.08 2.33 4.22 -1.24 -1.47 114.58 120.30 2brk h GLU 237 Ca 0.21 -0.11 -0.10 0.00 0.08 0.00 0.00 59.36 59.43 2brk h GLU 237 Cb -0.09 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.90 2brk h GLU 237 CO -0.04 0.84 -0.42 0.66 -2.18 0.00 0.00 179.01 177.86 2brk h SER 238 N 1.21 0.18 0.21 1.04 4.64 -0.22 0.23 113.55 120.84 2brk h SER 238 Ca 0.31 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 2brk h SER 238 Cb -0.04 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2brk h SER 238 CO -0.06 0.59 -0.10 0.40 -0.87 0.00 0.00 176.83 176.79 2brk h ILE 239 N 0.15 0.82 -0.84 0.95 2.04 -0.77 -2.80 117.51 117.06 2brk h ILE 239 Ca 0.01 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.79 2brk h ILE 239 Cb 0.81 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 2brk h ILE 239 CO 0.06 0.03 0.55 1.88 0.00 0.00 0.00 178.15 180.68 2brk h TYR 240 N -0.35 0.95 0.00 1.37 0.99 -0.66 -0.91 116.97 118.36 2brk h TYR 240 Ca -0.03 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2brk h TYR 240 Cb 0.27 -0.31 0.00 0.00 1.00 0.00 0.00 36.73 37.69 2brk h TYR 240 CO -0.04 0.51 0.00 1.04 -0.00 0.00 0.00 178.16 179.66 2brk n GLN 241 N -4.48 0.06 0.23 4.88 1.13 0.01 -2.20 117.38 117.01 2brk n GLN 241 Ca 0.12 0.15 0.12 0.00 -1.94 0.00 0.00 57.00 55.45 2brk n GLN 241 Cb 0.20 -1.50 0.43 0.00 0.11 0.00 0.00 30.24 29.48 2brk n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2brk s ASP 244 N -1.69 5.97 0.22 0.00 -1.08 0.30 -4.98 116.67 115.41 2brk s ASP 244 Ca 0.79 -0.30 0.10 0.00 -0.52 0.00 0.00 52.55 52.62 2brk s ASP 244 Cb -0.34 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.52 2brk s ASP 244 CO 0.44 -1.96 -0.15 -0.76 0.52 0.00 0.00 175.17 173.27 2brk s LEU 245 N 6.47 2.75 0.50 -1.34 1.43 -1.26 -2.08 118.68 125.15 2brk s LEU 245 Ca 0.42 -0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 2brk s LEU 245 Cb -0.09 -1.39 -0.07 0.00 0.03 0.00 0.00 46.19 44.68 2brk s LEU 245 CO 0.16 0.08 1.15 0.00 0.23 0.00 0.00 176.35 177.96 2brk s ALA 246 N -1.99 2.85 0.28 4.21 0.00 -1.26 -4.87 121.76 120.99 2brk s ALA 246 Ca 0.26 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.11 2brk s ALA 246 Cb -0.07 -3.37 0.65 0.00 0.00 0.00 0.00 23.12 20.32 2brk s ALA 246 CO 0.14 -0.70 1.70 -1.35 0.00 0.00 0.00 175.76 175.56 2brk h PRO 247 N 1.68 0.39 -0.59 0.00 0.11 -2.00 -0.56 132.00 131.04 2brk h PRO 247 Ca -0.50 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 2brk h PRO 247 Cb 1.25 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2brk h PRO 247 CO 0.59 0.26 -0.01 0.93 -0.21 0.00 0.00 178.00 179.56 2brk h GLU 248 N 0.40 1.03 -0.35 1.05 5.08 -2.00 -2.35 114.58 117.46 2brk h GLU 248 Ca 0.52 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2brk h GLU 248 Cb 0.93 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2brk h GLU 248 CO -0.50 1.01 0.22 0.00 -1.00 0.00 0.00 179.01 178.74 2brk h ALA 249 N 1.04 0.44 -0.87 3.43 0.00 -1.57 -0.78 119.26 120.94 2brk h ALA 249 Ca 0.17 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2brk h ALA 249 Cb 0.55 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2brk h ALA 249 CO 0.03 -0.11 0.54 0.00 0.00 0.00 0.00 179.25 179.71 2brk h ARG 250 N 0.46 0.96 -0.24 0.00 3.08 -0.75 0.41 114.38 118.28 2brk h ARG 250 Ca 0.13 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 2brk h ARG 250 Cb -0.04 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.79 2brk h ARG 250 CO -0.04 0.63 -0.33 0.37 -1.07 0.00 0.00 179.97 179.54 2brk h GLN 251 N 0.99 0.65 -0.38 0.04 5.75 -1.11 -1.82 115.11 119.23 2brk h GLN 251 Ca 0.38 -0.38 -0.10 0.00 -0.15 0.00 0.00 58.65 58.41 2brk h GLN 251 Cb 0.18 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 2brk h GLN 251 CO -0.18 0.99 -0.17 0.00 -2.65 0.00 0.00 178.83 176.82 2brk h ALA 252 N 0.65 0.99 -0.25 3.38 0.00 -0.73 -0.24 119.26 123.07 2brk h ALA 252 Ca 0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2brk h ALA 252 Cb 0.91 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2brk h ALA 252 CO 0.08 0.60 -0.07 0.82 0.00 0.00 0.00 179.25 180.67 2brk h ILE 253 N 0.63 1.29 -0.12 0.00 2.04 -0.85 0.15 117.51 120.65 2brk h ILE 253 Ca 0.10 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 64.89 2brk h ILE 253 Cb 0.64 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2brk h ILE 253 CO 0.05 0.34 -0.01 0.50 0.00 0.00 0.00 178.15 179.03 2brk h LYS 254 N 0.22 0.03 0.08 2.37 3.64 -1.26 -0.33 116.57 121.33 2brk h LYS 254 Ca 0.06 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2brk h LYS 254 Cb 0.54 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2brk h LYS 254 CO 0.03 0.02 -0.04 1.03 -2.27 0.00 0.00 179.45 178.22 2brk h SER 255 N 0.03 -0.09 -0.78 4.20 0.87 -0.91 -0.68 113.55 116.19 2brk h SER 255 Ca 0.06 -0.06 0.12 0.00 -1.23 0.00 0.00 61.79 60.68 2brk h SER 255 Cb 0.08 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 2brk h SER 255 CO -0.11 -0.00 0.51 -0.07 -0.53 0.00 0.00 176.83 176.63 2brk h LEU 256 N -0.18 0.54 -0.00 2.23 3.38 -0.66 -0.21 115.31 120.40 2brk h LEU 256 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2brk h LEU 256 Cb 0.15 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2brk h LEU 256 CO 0.02 0.30 0.00 0.74 0.09 0.00 0.00 178.44 179.59 2brk h THR 257 N 0.58 1.21 -0.15 0.22 2.02 0.05 -0.40 112.91 116.44 2brk h THR 257 Ca 0.38 -0.63 -0.14 0.00 0.77 0.00 0.00 66.41 66.78 2brk h THR 257 Cb 0.65 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2brk h THR 257 CO -0.14 0.16 -0.51 -0.33 0.37 0.00 0.00 175.52 175.07 2brk h GLU 258 N -0.26 0.42 0.00 6.66 4.39 -0.60 -1.52 114.58 123.66 2brk h GLU 258 Ca 0.00 -0.25 -0.15 0.00 0.34 0.00 0.00 59.36 59.30 2brk h GLU 258 Cb 0.27 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 2brk h GLU 258 CO 0.00 0.83 -1.97 0.54 -1.16 0.00 0.00 179.01 177.25 2brk n ARG 259 N -3.96 0.66 0.01 2.33 1.74 -0.14 -4.67 116.66 112.63 2brk n ARG 259 Ca -0.02 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2brk n ARG 259 Cb 0.57 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2brk n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2brk n LEU 260 N -2.56 0.11 -0.05 0.55 7.94 -0.40 -0.85 117.00 121.75 2brk n LEU 260 Ca -0.15 0.04 -0.14 0.00 -1.11 0.00 0.00 56.01 54.66 2brk n LEU 260 Cb 0.82 -0.01 -0.02 0.00 0.53 0.00 0.00 43.42 44.73 2brk n LEU 260 CO 0.44 -0.26 0.41 1.88 -1.11 0.00 0.00 177.39 178.75 2brk h TYR 261 N 0.00 1.01 0.00 1.96 0.05 -0.86 -3.00 116.97 116.13 2brk h TYR 261 Ca 0.00 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.41 2brk h TYR 261 Cb 0.56 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.12 2brk h TYR 261 CO 0.00 1.19 0.00 -0.84 -1.05 0.00 0.00 178.16 177.46 2brk h ILE 262 N 0.60 0.00 0.00 -2.88 3.07 -1.55 -3.43 117.51 113.32 2brk h ILE 262 Ca 0.00 -0.60 0.00 0.00 1.55 0.00 0.00 64.86 65.81 2brk h ILE 262 Cb 1.19 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 39.33 2brk h ILE 262 CO 0.12 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.83 2brk n GLY 263 N 0.26 -1.38 0.00 0.16 0.00 -1.13 -3.92 105.19 99.18 2brk n GLY 263 Ca 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2brk n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brk n GLY 264 N -0.90 -0.52 3.80 -0.02 0.00 -0.63 -4.08 105.19 102.85 2brk n GLY 264 Ca 0.00 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 2brk n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2brk s PRO 265 N -2.00 3.55 -0.06 1.61 0.04 -1.26 -1.19 135.00 135.69 2brk s PRO 265 Ca 0.00 1.26 0.04 0.00 0.04 0.00 0.00 61.00 62.35 2brk s PRO 265 Cb 0.00 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2brk s PRO 265 CO 0.00 -0.63 -0.19 -0.51 0.04 0.00 0.00 177.00 175.71 2brk s LEU 266 N -4.05 2.41 -0.04 -3.56 1.43 -0.03 -2.08 118.68 112.76 2brk s LEU 266 Ca 0.65 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 2brk s LEU 266 Cb -0.16 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2brk s LEU 266 CO 0.29 0.28 -0.13 -0.89 0.23 0.00 0.00 176.35 176.13 2brk s THR 267 N -0.33 1.16 0.98 5.49 2.01 0.17 -1.19 115.64 123.92 2brk s THR 267 Ca 0.02 -0.55 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 2brk s THR 267 Cb -0.13 -1.02 0.21 0.00 0.01 0.00 0.00 72.50 71.58 2brk s THR 267 CO 0.02 0.35 1.34 0.54 -0.69 0.00 0.00 174.62 176.18 2brk s ASN 268 N 0.23 2.96 0.62 3.53 2.20 0.08 -1.45 114.94 123.10 2brk s ASN 268 Ca -0.06 0.21 0.39 0.00 -0.94 0.00 0.00 52.86 52.46 2brk s ASN 268 Cb -0.12 -0.20 2.05 0.00 -2.00 0.00 0.00 41.25 40.99 2brk s ASN 268 CO 0.02 -2.83 2.25 0.77 -2.94 0.00 0.00 177.10 174.37 2brk h SER 269 N -1.71 0.00 -0.49 3.54 4.64 -1.78 -1.65 113.55 116.11 2brk h SER 269 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2brk h SER 269 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2brk h SER 269 CO 0.35 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.61 2brk n LYS 270 N -3.20 2.82 -1.12 4.77 4.76 -1.26 -4.95 118.16 119.98 2brk n LYS 270 Ca -0.02 -2.04 -0.04 0.00 -2.87 0.00 0.00 58.31 53.33 2brk n LYS 270 Cb 0.14 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 31.66 2brk n LYS 270 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2brk n GLY 271 N 1.01 0.69 3.90 0.72 0.00 -0.62 -5.02 105.19 105.87 2brk n GLY 271 Ca 0.19 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 2brk n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2brk s GLN 272 N -1.88 3.62 -0.38 1.61 -0.21 -1.26 -4.84 119.66 116.31 2brk s GLN 272 Ca 0.00 -0.09 -0.29 0.00 0.02 0.00 0.00 55.36 55.00 2brk s GLN 272 Cb 0.00 -2.84 0.02 0.00 1.00 0.00 0.00 33.01 31.19 2brk s GLN 272 CO 0.00 0.45 1.11 1.21 -2.12 0.00 0.00 175.29 175.94 2brk s ASN 273 N -2.48 6.80 0.29 5.90 2.47 -1.26 -0.74 114.94 125.92 2brk s ASN 273 Ca 0.41 0.82 0.20 0.00 0.42 0.00 0.00 52.86 54.71 2brk s ASN 273 Cb -0.12 -2.55 0.13 0.00 -1.45 0.00 0.00 41.25 37.26 2brk s ASN 273 CO 0.25 -1.04 1.33 0.00 -3.72 0.00 0.00 177.10 173.92 2brk n GLY 275 N 1.19 0.44 3.08 0.00 0.00 -1.22 -1.07 105.19 107.60 2brk n GLY 275 Ca 0.01 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.21 2brk n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2brk s TYR 276 N -2.89 0.93 -0.09 1.61 5.04 -0.13 -0.85 117.35 120.96 2brk s TYR 276 Ca 0.00 -0.31 0.02 0.00 -2.44 0.00 0.00 57.07 54.34 2brk s TYR 276 Cb 0.00 -0.56 -0.02 0.00 0.35 0.00 0.00 41.96 41.73 2brk s TYR 276 CO 0.00 -0.01 -0.14 0.50 -1.34 0.00 0.00 175.55 174.56 2brk s ARG 277 N -0.89 2.98 -0.12 4.97 3.52 -0.33 -0.79 118.95 128.29 2brk s ARG 277 Ca -0.00 -0.70 0.17 0.00 -0.13 0.00 0.00 55.73 55.06 2brk s ARG 277 Cb -0.07 -2.50 0.41 0.00 -1.56 0.00 0.00 34.95 31.24 2brk s ARG 277 CO 0.01 0.39 1.19 0.54 -0.81 0.00 0.00 175.30 176.62 2brk n ARG 278 N 3.00 0.92 -1.64 5.12 1.74 -0.29 -1.60 116.66 123.91 2brk n ARG 278 Ca -0.18 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.17 2brk n ARG 278 Cb 0.52 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 2brk n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2brk s ARG 280 N -1.68 4.40 0.23 0.00 6.06 -0.77 -4.51 118.95 122.68 2brk s ARG 280 Ca 0.00 2.05 -0.29 0.00 -2.50 0.00 0.00 55.73 54.98 2brk s ARG 280 Cb 0.00 -3.19 -0.09 0.00 0.06 0.00 0.00 34.95 31.73 2brk s ARG 280 CO 0.00 -0.22 0.92 0.00 -2.50 0.00 0.00 175.30 173.50 2brk s ALA 281 N -0.03 3.35 -0.85 6.12 0.00 -1.26 -4.73 121.76 124.35 2brk s ALA 281 Ca 0.55 0.59 0.26 0.00 0.00 0.00 0.00 51.96 53.36 2brk s ALA 281 Cb -0.36 -3.18 0.67 0.00 0.00 0.00 0.00 23.12 20.25 2brk s ALA 281 CO 0.39 0.21 1.56 -1.13 0.00 0.00 0.00 175.76 176.80 2brk n SER 282 N 1.54 0.50 -0.95 0.00 3.41 -1.25 -4.25 113.62 112.62 2brk n SER 282 Ca -0.02 0.17 -0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2brk n SER 282 Cb 0.47 -0.12 0.20 0.00 -0.26 0.00 0.00 64.21 64.51 2brk n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2brk n GLY 283 N 1.42 4.92 3.68 5.00 0.00 0.19 -4.86 105.19 115.53 2brk n GLY 283 Ca 0.05 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 2brk n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2brk s VAL 284 N -3.21 3.06 0.33 1.61 -7.23 -1.26 -4.56 120.40 109.14 2brk s VAL 284 Ca 0.42 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2brk s VAL 284 Cb 0.39 -2.90 0.26 0.00 0.56 0.00 0.00 36.38 34.69 2brk s VAL 284 CO -0.01 -0.24 1.99 0.25 -0.31 0.00 0.00 175.10 176.77 2brk h LEU 285 N 1.70 0.82 -0.50 1.32 5.85 -1.94 -2.58 115.31 119.98 2brk h LEU 285 Ca -0.44 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2brk h LEU 285 Cb 1.25 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2brk h LEU 285 CO 0.63 0.60 0.00 0.35 -0.34 0.00 0.00 178.44 179.69 2brk n THR 286 N -4.42 0.11 0.19 1.05 -2.24 -1.26 -4.39 114.28 103.31 2brk n THR 286 Ca 0.07 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 2brk n THR 286 Cb 0.04 0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.22 2brk n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2brk h THR 287 N 0.97 0.46 -0.23 4.28 2.02 -1.74 0.11 112.91 118.78 2brk h THR 287 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 2brk h THR 287 Cb 0.21 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2brk h THR 287 CO 0.00 0.00 -0.21 -1.28 0.37 0.00 0.00 175.52 174.40 2brk h SER 288 N -0.56 0.59 -0.18 4.18 0.87 -1.83 0.66 113.55 117.29 2brk h SER 288 Ca -0.01 -0.47 -0.07 0.00 -1.23 0.00 0.00 61.79 60.01 2brk h SER 288 Cb 0.51 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2brk h SER 288 CO -0.04 0.94 -0.15 0.00 -0.53 0.00 0.00 176.83 177.04 2brk h GLY 290 N 0.08 0.26 1.03 0.00 0.00 -0.75 0.04 103.07 103.73 2brk h GLY 290 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 2brk h GLY 290 CO 0.04 0.01 0.27 3.43 0.00 0.00 0.00 176.54 180.29 2brk h ASN 291 N 0.15 1.01 -0.33 0.19 2.35 -0.81 -0.68 115.58 117.46 2brk h ASN 291 Ca 0.10 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 2brk h ASN 291 Cb 0.09 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 2brk h ASN 291 CO -0.12 0.92 0.07 0.74 -1.65 0.00 0.00 177.43 177.38 2brk h THR 292 N 1.05 1.23 -0.75 2.81 2.02 -1.03 0.08 112.91 118.32 2brk h THR 292 Ca 0.24 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 2brk h THR 292 Cb 0.24 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 2brk h THR 292 CO -0.02 0.26 0.33 -0.07 0.37 0.00 0.00 175.52 176.39 2brk h LEU 293 N 0.38 1.01 -0.15 2.58 3.38 -0.76 -0.94 115.31 120.82 2brk h LEU 293 Ca 0.10 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 2brk h LEU 293 Cb 0.32 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2brk h LEU 293 CO 0.00 0.89 -0.62 0.74 0.09 0.00 0.00 178.44 179.54 2brk h THR 294 N 1.07 1.31 -0.49 0.22 2.02 -0.95 -1.15 112.91 114.95 2brk h THR 294 Ca 0.25 -1.86 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 2brk h THR 294 Cb 0.17 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 2brk h THR 294 CO -0.03 0.58 0.25 0.00 0.37 0.00 0.00 175.52 176.69 2brk h TYR 296 N 0.64 1.17 0.01 0.00 3.20 -1.09 0.17 116.97 121.07 2brk h TYR 296 Ca 0.17 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 2brk h TYR 296 Cb 0.09 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 37.98 2brk h TYR 296 CO -0.01 0.79 -0.00 1.25 -1.64 0.00 0.00 178.16 178.55 2brk h LEU 297 N 1.21 -0.01 -0.34 2.82 5.85 -1.06 -0.25 115.31 123.53 2brk h LEU 297 Ca 0.31 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2brk h LEU 297 Cb -0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2brk h LEU 297 CO -0.06 0.31 0.01 0.11 -0.34 0.00 0.00 178.44 178.48 2brk h LYS 298 N -0.33 0.60 -0.52 1.25 1.57 -1.21 -2.33 116.57 115.60 2brk h LYS 298 Ca -0.00 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2brk h LYS 298 Cb 0.32 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2brk h LYS 298 CO 0.00 0.71 0.24 0.00 -0.57 0.00 0.00 179.45 179.83 2brk h ALA 299 N 0.87 0.67 -0.63 3.86 0.00 -0.70 0.20 119.26 123.53 2brk h ALA 299 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2brk h ALA 299 Cb 0.43 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2brk h ALA 299 CO 0.02 0.25 0.29 0.77 0.00 0.00 0.00 179.25 180.57 2brk h SER 300 N 0.69 0.84 -0.49 0.00 0.02 -1.02 0.12 113.55 113.72 2brk h SER 300 Ca 0.18 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2brk h SER 300 Cb 0.14 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2brk h SER 300 CO -0.02 0.75 0.13 0.00 -1.14 0.00 0.00 176.83 176.56 2brk h ALA 301 N 1.12 0.64 -0.38 3.77 0.00 -1.26 -2.72 119.26 120.43 2brk h ALA 301 Ca 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2brk h ALA 301 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2brk h ALA 301 CO -0.02 0.32 0.09 0.00 0.00 0.00 0.00 179.25 179.64 2brk h ALA 302 N 1.00 1.45 -0.30 0.00 0.00 -0.27 -1.76 119.26 119.38 2brk h ALA 302 Ca 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2brk h ALA 302 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2brk h ALA 302 CO -0.00 0.41 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 2brk h ARG 304 N 0.46 0.82 -0.42 0.00 3.08 -1.07 -1.56 114.38 115.69 2brk h ARG 304 Ca 0.09 -0.56 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 2brk h ARG 304 Cb 0.40 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2brk h ARG 304 CO 0.02 1.19 0.21 0.00 -1.07 0.00 0.00 179.97 180.32 2brk h ALA 305 N 0.63 0.55 0.00 0.04 0.00 -1.21 -2.08 119.26 117.19 2brk h ALA 305 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2brk h ALA 305 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2brk h ALA 305 CO 0.13 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.48 2brk h ALA 306 N 1.06 1.00 -4.54 0.00 0.00 -1.25 -3.47 119.26 112.07 2brk h ALA 306 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.65 2brk h ALA 306 Cb 0.10 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.96 2brk h ALA 306 CO -0.02 0.00 -0.61 1.63 0.00 0.00 0.00 179.25 180.25 2brk n LYS 307 N -2.52 -5.13 -2.19 0.00 5.02 -0.63 -4.86 118.16 107.84 2brk n LYS 307 Ca 0.00 0.91 -0.41 0.00 -2.02 0.00 0.00 58.31 56.79 2brk n LYS 307 Cb 0.16 -5.77 -0.03 0.00 -0.02 0.00 0.00 35.03 29.37 2brk n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2brk s LEU 308 N -6.69 4.44 -0.02 -0.35 1.43 -0.92 -5.00 118.68 111.58 2brk s LEU 308 Ca 0.32 2.55 -0.19 0.00 -1.03 0.00 0.00 54.13 55.79 2brk s LEU 308 Cb -0.14 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 2brk s LEU 308 CO 0.40 -0.48 0.53 -1.58 0.23 0.00 0.00 176.35 175.45 2brk s GLN 309 N -1.26 4.23 -1.31 1.70 0.74 -1.26 -4.43 119.66 118.07 2brk s GLN 309 Ca 0.51 0.61 -0.14 0.00 0.05 0.00 0.00 55.36 56.39 2brk s GLN 309 Cb -0.38 -3.33 0.01 0.00 1.10 0.00 0.00 33.01 30.41 2brk s GLN 309 CO 0.47 0.42 0.52 -3.47 -0.55 0.00 0.00 175.29 172.68 2brk n ASP 310 N 2.62 -2.39 -4.75 6.67 2.03 -1.26 -0.98 116.55 118.49 2brk n ASP 310 Ca -0.09 -1.11 -0.41 0.00 0.52 0.00 0.00 54.79 53.70 2brk n ASP 310 Cb 0.51 -2.64 -0.04 0.00 -0.72 0.00 0.00 41.12 38.23 2brk n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2brk s THR 312 N -0.55 1.11 0.11 0.00 2.01 0.35 -4.98 115.64 113.70 2brk s THR 312 Ca 0.49 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 62.02 2brk s THR 312 Cb -0.32 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 2brk s THR 312 CO 0.38 0.33 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.40 2brk s MET 313 N -0.02 1.72 -0.08 4.92 -1.94 -1.26 -0.95 119.30 121.70 2brk s MET 313 Ca -0.01 -1.20 0.00 0.00 -1.71 0.00 0.00 55.69 52.78 2brk s MET 313 Cb -0.09 -2.07 0.02 0.00 2.01 0.00 0.00 34.83 34.70 2brk s MET 313 CO 0.01 0.48 -0.07 -1.17 -0.01 0.00 0.00 175.02 174.25 2brk s LEU 314 N -2.08 1.27 -0.10 -0.03 2.96 0.09 -4.14 118.68 116.66 2brk s LEU 314 Ca 0.17 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2brk s LEU 314 Cb -0.10 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.88 2brk s LEU 314 CO 0.09 -0.07 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.21 2brk s VAL 315 N 1.31 1.43 -0.28 1.68 1.01 -0.18 -0.82 120.40 124.55 2brk s VAL 315 Ca -0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2brk s VAL 315 Cb -0.14 -1.31 0.09 0.00 0.00 0.00 0.00 36.38 35.03 2brk s VAL 315 CO -0.03 0.43 0.07 0.20 0.00 0.00 0.00 175.10 175.77 2brk s ASN 316 N 0.85 3.83 1.76 3.32 -0.87 -0.40 -0.65 114.94 122.79 2brk s ASN 316 Ca -0.10 -1.46 0.00 0.00 -1.57 0.00 0.00 52.86 49.73 2brk s ASN 316 Cb -0.15 -0.86 0.00 0.00 -0.02 0.00 0.00 41.25 40.21 2brk s ASN 316 CO 0.01 -0.38 0.00 0.61 -2.57 0.00 0.00 177.10 174.77 2brk n GLY 317 N 4.86 4.04 1.26 0.66 0.00 -1.26 -1.36 105.19 113.38 2brk n GLY 317 Ca -0.04 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2brk n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2brk n ASP 318 N 7.57 3.72 -4.59 1.61 5.75 -1.26 -3.94 116.55 125.41 2brk n ASP 318 Ca 0.00 -2.00 -0.43 0.00 -0.01 0.00 0.00 54.79 52.35 2brk n ASP 318 Cb 0.00 -0.36 -0.04 0.00 -1.03 0.00 0.00 41.12 39.69 2brk n ASP 318 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2brk s ASP 319 N -1.27 6.62 -0.05 -1.12 1.11 -0.46 -3.89 116.67 117.61 2brk s ASP 319 Ca 0.44 0.44 0.04 0.00 0.18 0.00 0.00 52.55 53.65 2brk s ASP 319 Cb 0.24 -2.46 -0.03 0.00 1.07 0.00 0.00 42.92 41.74 2brk s ASP 319 CO 0.33 -0.93 -0.14 -0.22 1.18 0.00 0.00 175.17 175.39 2brk s LEU 320 N 3.59 2.74 -0.07 1.23 2.96 -0.41 -1.27 118.68 127.45 2brk s LEU 320 Ca 0.38 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 2brk s LEU 320 Cb -0.11 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 2brk s LEU 320 CO 0.21 0.35 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.66 2brk s VAL 321 N -0.73 1.98 -0.11 1.68 1.01 0.00 -1.18 120.40 123.05 2brk s VAL 321 Ca 0.11 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2brk s VAL 321 Cb -0.11 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 2brk s VAL 321 CO 0.01 0.55 -0.21 -0.69 0.00 0.00 0.00 175.10 174.75 2brk s VAL 322 N 0.08 2.30 -0.09 2.92 1.01 -0.56 -0.73 120.40 125.33 2brk s VAL 322 Ca -0.10 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 60.98 2brk s VAL 322 Cb -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2brk s VAL 322 CO 0.06 0.55 -0.20 -0.63 0.00 0.00 0.00 175.10 174.88 2brk s ILE 323 N 0.34 1.77 0.30 2.22 1.01 -0.12 -1.64 121.20 125.07 2brk s ILE 323 Ca -0.17 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.64 2brk s ILE 323 Cb -0.17 -1.55 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 2brk s ILE 323 CO 0.08 0.50 0.37 0.00 0.00 0.00 0.00 174.94 175.89 2brk s GLU 325 N -2.84 4.31 0.33 0.00 0.41 -0.15 -1.42 118.70 119.33 2brk s GLU 325 Ca 0.28 1.01 -0.29 0.00 -0.41 0.00 0.00 54.97 55.56 2brk s GLU 325 Cb -0.00 -3.56 -0.11 0.00 -1.78 0.00 0.00 34.13 28.68 2brk s GLU 325 CO 0.20 -0.30 1.50 0.45 -0.49 0.00 0.00 175.26 176.62 2brk s SER 326 N 1.14 6.44 0.00 -0.19 0.15 0.52 -4.43 113.70 117.32 2brk s SER 326 Ca 0.38 2.93 0.21 0.00 0.70 0.00 0.00 55.95 60.17 2brk s SER 326 Cb -0.17 -2.65 0.59 0.00 -1.71 0.00 0.00 66.02 62.08 2brk s SER 326 CO 0.13 -0.83 1.49 0.00 1.20 0.00 0.00 173.24 175.24 2brk n ALA 327 N 1.32 2.35 0.00 5.45 0.00 -1.26 -4.91 120.51 123.47 2brk n ALA 327 Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.22 2brk n ALA 327 Cb 0.39 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2brk n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2brk n GLY 328 N 1.50 2.49 0.40 0.00 0.00 -1.26 -4.68 105.19 103.63 2brk n GLY 328 Ca 0.23 -2.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 2brk n GLY 328 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2brk h THR 329 N 0.00 0.19 -0.17 2.61 2.02 -1.99 0.72 112.91 116.29 2brk h THR 329 Ca 0.00 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.89 2brk h THR 329 Cb 0.00 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 2brk h THR 329 CO 0.00 0.02 -0.33 1.56 0.37 0.00 0.00 175.52 177.13 2brk h GLN 330 N -1.12 0.34 -0.42 6.66 1.08 -1.99 -1.64 115.11 118.02 2brk h GLN 330 Ca -0.10 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 56.92 2brk h GLN 330 Cb 0.77 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 2brk h GLN 330 CO 0.16 0.64 0.11 0.93 -0.95 0.00 0.00 178.83 179.72 2brk h GLU 331 N 0.29 0.66 -0.46 1.46 3.07 -1.81 -1.87 114.58 115.92 2brk h GLU 331 Ca 0.04 -0.15 -0.08 0.00 -0.50 0.00 0.00 59.36 58.66 2brk h GLU 331 Cb 0.73 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 2brk h GLU 331 CO 0.06 0.67 -0.04 -0.44 -1.40 0.00 0.00 179.01 177.85 2brk h ASP 332 N 0.53 0.83 -0.54 1.42 3.32 -0.60 -0.10 116.42 121.29 2brk h ASP 332 Ca 0.13 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 2brk h ASP 332 Cb 0.29 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2brk h ASP 332 CO -0.00 0.96 0.28 0.00 -1.72 0.00 0.00 179.24 178.76 2brk h ALA 333 N 0.90 0.69 -0.17 3.45 0.00 -1.18 -1.14 119.26 121.81 2brk h ALA 333 Ca 0.13 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2brk h ALA 333 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2brk h ALA 333 CO 0.03 0.23 -0.48 0.00 0.00 0.00 0.00 179.25 179.03 2brk h ALA 334 N 1.12 0.86 -0.50 0.00 0.00 -1.22 -2.63 119.26 116.88 2brk h ALA 334 Ca 0.19 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 2brk h ALA 334 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2brk h ALA 334 CO -0.03 0.66 -0.05 0.66 0.00 0.00 0.00 179.25 180.50 2brk h SER 335 N 0.35 0.86 -0.07 0.00 4.64 -0.56 -1.42 113.55 117.36 2brk h SER 335 Ca 0.02 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 2brk h SER 335 Cb 0.97 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 2brk h SER 335 CO 0.09 0.95 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.76 2brk h LEU 336 N 0.81 0.42 -0.55 5.97 4.07 -1.08 0.63 115.31 125.58 2brk h LEU 336 Ca 0.14 -0.11 -0.09 0.00 0.08 0.00 0.00 57.88 57.90 2brk h LEU 336 Cb 0.55 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 2brk h LEU 336 CO 0.03 0.61 -0.02 0.03 -1.08 0.00 0.00 178.44 178.01 2brk h ARG 337 N 0.39 0.99 -0.52 1.13 3.08 -1.09 -0.05 114.38 118.32 2brk h ARG 337 Ca 0.07 -0.33 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 2brk h ARG 337 Cb 0.52 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2brk h ARG 337 CO 0.03 1.00 -0.09 0.28 -1.07 0.00 0.00 179.97 180.13 2brk h VAL 338 N 0.87 1.26 0.16 2.04 2.07 -0.91 0.29 116.25 122.03 2brk h VAL 338 Ca 0.15 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.47 2brk h VAL 338 Cb 0.57 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2brk h VAL 338 CO 0.03 0.43 -0.17 0.15 0.02 0.00 0.00 177.57 178.03 2brk h PHE 339 N 0.85 -0.43 -0.96 1.57 3.57 -0.75 -1.71 116.94 119.08 2brk h PHE 339 Ca 0.14 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2brk h PHE 339 Cb 0.62 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 2brk h PHE 339 CO 0.04 -0.25 0.63 1.15 -2.23 0.00 0.00 178.31 177.65 2brk h THR 340 N -0.36 1.22 -0.54 4.41 2.02 -0.89 -0.92 112.91 117.86 2brk h THR 340 Ca 0.01 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2brk h THR 340 Cb 0.34 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 2brk h THR 340 CO -0.05 0.23 0.31 -0.33 0.37 0.00 0.00 175.52 176.06 2brk h GLU 341 N 1.27 0.73 -0.43 6.66 5.08 -0.74 -0.30 114.58 126.85 2brk h GLU 341 Ca 0.36 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 2brk h GLU 341 Cb -0.10 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2brk h GLU 341 CO -0.09 0.54 0.05 0.00 -1.00 0.00 0.00 179.01 178.51 2brk h ALA 342 N 1.15 0.58 -0.83 3.43 0.00 -0.96 -1.13 119.26 121.50 2brk h ALA 342 Ca 0.19 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2brk h ALA 342 Cb 0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2brk h ALA 342 CO -0.03 0.32 0.53 0.52 0.00 0.00 0.00 179.25 180.59 2brk h MET 343 N 0.58 1.01 -0.71 0.00 2.86 -0.99 -1.70 114.93 115.98 2brk h MET 343 Ca 0.13 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2brk h MET 343 Cb 0.41 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 2brk h MET 343 CO 0.01 0.67 0.30 1.15 1.06 0.00 0.00 176.91 180.10 2brk h THR 344 N 1.04 1.24 -0.72 2.22 2.02 -0.76 0.64 112.91 118.59 2brk h THR 344 Ca 0.33 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.79 2brk h THR 344 Cb 0.00 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 2brk h THR 344 CO -0.11 0.30 0.48 0.03 0.37 0.00 0.00 175.52 176.58 2brk h ARG 345 N 1.01 0.90 -0.00 6.66 3.08 -0.79 -1.76 114.38 123.48 2brk h ARG 345 Ca 0.24 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2brk h ARG 345 Cb 0.18 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2brk h ARG 345 CO -0.02 0.59 -0.05 0.66 -1.07 0.00 0.00 179.97 180.08 2brk n TYR 346 N -4.44 0.00 0.00 3.04 4.01 -0.68 -1.44 117.16 117.65 2brk n TYR 346 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2brk n TYR 346 Cb 0.08 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 2brk n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2brk n SER 347 N -0.97 0.00 -3.67 7.72 2.88 -0.66 -4.88 113.62 114.05 2brk n SER 347 Ca 0.17 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.43 2brk n SER 347 Cb 0.24 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.59 2brk n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2brk n ALA 348 N -0.91 3.50 -1.44 -1.46 0.00 0.13 -4.75 120.51 115.57 2brk n ALA 348 Ca 0.00 -4.40 -0.32 0.00 0.00 0.00 0.00 53.44 48.72 2brk n ALA 348 Cb 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 18.56 2brk n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2brk s PRO 349 N -1.59 2.68 0.36 0.00 0.04 -1.26 -3.97 135.00 131.26 2brk s PRO 349 Ca 0.31 1.22 -0.09 0.00 0.04 0.00 0.00 61.00 62.48 2brk s PRO 349 Cb 0.03 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2brk s PRO 349 CO -0.12 -1.32 0.69 -1.25 0.04 0.00 0.00 177.00 175.04 2brk s PRO 350 N -4.52 3.75 0.11 0.56 0.04 -1.26 -1.49 135.00 132.18 2brk s PRO 350 Ca 0.63 0.33 -0.16 0.00 0.04 0.00 0.00 61.00 61.84 2brk s PRO 350 Cb -0.18 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 2brk s PRO 350 CO 0.48 0.06 1.55 0.78 0.04 0.00 0.00 177.00 179.91 2brk h GLY 351 N 1.49 0.63 -5.12 0.56 0.00 -1.66 -3.40 103.07 95.57 2brk h GLY 351 Ca -0.47 -0.46 -0.42 0.00 0.00 0.00 0.00 47.33 45.97 2brk h GLY 351 CO 0.65 0.43 -0.79 0.99 0.00 0.00 0.00 176.54 177.82 2brk s ASP 352 N -6.08 1.27 0.30 0.19 1.11 -1.26 -4.98 116.67 107.22 2brk s ASP 352 Ca -0.13 -0.22 -0.30 0.00 0.18 0.00 0.00 52.55 52.08 2brk s ASP 352 Cb 0.09 -0.13 -0.12 0.00 1.07 0.00 0.00 42.92 43.83 2brk s ASP 352 CO 0.77 0.11 1.45 -2.65 1.18 0.00 0.00 175.17 176.03 2brk n PRO 353 N 2.70 2.36 -1.75 8.23 -0.02 -1.26 -4.81 135.00 140.45 2brk n PRO 353 Ca -0.14 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 61.83 2brk n PRO 353 Cb 0.56 -2.52 0.06 0.00 -0.02 0.00 0.00 33.50 31.58 2brk n PRO 353 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2brk s PRO 354 N -1.08 2.63 -0.05 0.52 0.04 -1.26 -5.05 135.00 130.74 2brk s PRO 354 Ca 0.61 1.74 0.03 0.00 0.04 0.00 0.00 61.00 63.42 2brk s PRO 354 Cb -0.55 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2brk s PRO 354 CO 0.55 -1.45 -0.15 -1.14 0.04 0.00 0.00 177.00 174.84 2brk s GLN 355 N -3.66 1.77 0.27 4.56 2.00 -1.26 -4.96 119.66 118.38 2brk s GLN 355 Ca 0.75 -0.54 -0.30 0.00 -2.00 0.00 0.00 55.36 53.27 2brk s GLN 355 Cb -0.28 -1.50 -0.10 0.00 0.80 0.00 0.00 33.01 31.92 2brk s GLN 355 CO 0.39 0.16 1.48 -2.14 -0.50 0.00 0.00 175.29 174.67 2brk s PRO 356 N 0.27 4.22 -0.02 1.67 0.02 -1.26 -4.57 135.00 135.33 2brk s PRO 356 Ca -0.08 2.39 0.07 0.00 0.02 0.00 0.00 61.00 63.39 2brk s PRO 356 Cb -0.13 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 2brk s PRO 356 CO 0.03 -0.47 -0.22 -1.21 -0.33 0.00 0.00 177.00 174.80 2brk s GLU 357 N -0.59 1.89 0.00 5.54 0.41 0.60 -4.96 118.70 121.59 2brk s GLU 357 Ca 0.59 -0.79 0.13 0.00 -0.41 0.00 0.00 54.97 54.49 2brk s GLU 357 Cb -0.44 -1.78 0.26 0.00 -1.78 0.00 0.00 34.13 30.39 2brk s GLU 357 CO 0.46 0.45 1.14 0.66 -0.49 0.00 0.00 175.26 177.48 2brk n TYR 358 N 2.64 0.33 -3.99 1.61 4.02 -1.26 -1.37 117.16 119.13 2brk n TYR 358 Ca -0.16 -0.30 -0.30 0.00 -0.01 0.00 0.00 57.90 57.13 2brk n TYR 358 Cb 0.52 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.67 2brk n TYR 358 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2brk s ASP 359 N -1.04 3.34 0.30 7.72 -1.08 -1.26 -4.98 116.67 119.67 2brk s ASP 359 Ca 0.22 -0.86 0.05 0.00 -0.52 0.00 0.00 52.55 51.45 2brk s ASP 359 Cb 0.13 -1.21 0.72 0.00 -1.46 0.00 0.00 42.92 41.10 2brk s ASP 359 CO 0.18 -0.15 1.79 0.25 0.52 0.00 0.00 175.17 177.77 2brk h LEU 360 N 7.99 0.80 -2.20 -1.34 6.46 -1.96 -1.96 115.31 123.09 2brk h LEU 360 Ca -0.28 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.62 2brk h LEU 360 Cb 1.10 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 2brk h LEU 360 CO 0.47 0.32 0.18 -0.08 -0.62 0.00 0.00 178.44 178.71 2brk h GLU 361 N 0.80 0.00 -0.01 1.25 4.81 -1.96 -2.12 114.58 117.35 2brk h GLU 361 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 2brk h GLU 361 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2brk h GLU 361 CO -0.34 0.00 -0.12 1.28 -0.73 0.00 0.00 179.01 179.09 2brk n LEU 362 N -3.96 0.86 -4.59 1.64 4.77 -0.74 -4.57 117.00 110.42 2brk n LEU 362 Ca 0.01 -0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.38 2brk n LEU 362 Cb 0.30 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 2brk n LEU 362 CO 0.29 0.15 0.45 -0.63 -1.33 0.00 0.00 177.39 176.32 2brk s ILE 363 N -2.34 4.86 -0.19 -0.08 1.01 -0.80 -5.03 121.20 118.64 2brk s ILE 363 Ca 0.31 0.80 -0.02 0.00 0.00 0.00 0.00 60.65 61.74 2brk s ILE 363 Cb 0.20 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 2brk s ILE 363 CO 0.45 -0.27 -0.08 -0.89 0.00 0.00 0.00 174.94 174.14 2brk s THR 364 N 2.78 3.16 -0.01 2.92 2.01 -1.26 -4.41 115.64 120.84 2brk s THR 364 Ca 0.27 -0.58 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 2brk s THR 364 Cb -0.14 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 69.99 2brk s THR 364 CO 0.14 0.47 0.27 -0.55 -0.69 0.00 0.00 174.62 174.25 2brk s SER 365 N 1.10 -0.14 -1.60 3.53 0.15 -0.47 -4.73 113.70 111.55 2brk s SER 365 Ca 0.01 0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.51 2brk s SER 365 Cb -0.15 0.28 0.12 0.00 -1.71 0.00 0.00 66.02 64.57 2brk s SER 365 CO -0.02 -0.43 0.88 0.00 1.20 0.00 0.00 173.24 174.87 2brk n SER 367 N -2.72 -4.23 -4.23 0.00 7.64 -1.26 -4.94 113.62 103.88 2brk n SER 367 Ca 0.06 0.27 -0.13 0.00 1.01 0.00 0.00 58.87 60.08 2brk n SER 367 Cb 0.51 -3.46 -0.10 0.00 -1.01 0.00 0.00 64.21 60.15 2brk n SER 367 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2brk s SER 368 N -2.08 1.41 0.11 6.43 1.04 -0.46 -4.29 113.70 115.86 2brk s SER 368 Ca 0.00 -1.08 -0.07 0.00 0.48 0.00 0.00 55.95 55.28 2brk s SER 368 Cb 0.00 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 2brk s SER 368 CO 0.00 -0.46 0.18 0.54 0.98 0.00 0.00 173.24 174.47 2brk s ASN 369 N -3.15 0.16 0.19 7.02 4.22 -0.09 -1.36 114.94 121.93 2brk s ASN 369 Ca 0.19 -0.80 -0.26 0.00 -2.14 0.00 0.00 52.86 49.85 2brk s ASN 369 Cb 0.05 0.34 -0.08 0.00 1.28 0.00 0.00 41.25 42.84 2brk s ASN 369 CO 0.01 -0.76 0.81 -0.69 -2.04 0.00 0.00 177.10 174.43 2brk s VAL 370 N -3.91 4.33 0.30 3.54 1.01 -1.26 -1.11 120.40 123.30 2brk s VAL 370 Ca 0.10 1.73 0.05 0.00 0.00 0.00 0.00 61.98 63.87 2brk s VAL 370 Cb 0.05 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2brk s VAL 370 CO -0.07 0.47 0.24 -0.55 0.00 0.00 0.00 175.10 175.20 2brk s SER 371 N -1.23 1.35 0.03 3.32 0.15 -0.09 -4.24 113.70 112.99 2brk s SER 371 Ca 0.38 -1.68 0.08 0.00 0.70 0.00 0.00 55.95 55.43 2brk s SER 371 Cb -0.23 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 2brk s SER 371 CO 0.27 -1.01 -0.22 0.68 1.20 0.00 0.00 173.24 174.15 2brk s VAL 372 N -3.60 1.77 0.00 4.45 -7.23 -1.26 -1.18 120.40 113.35 2brk s VAL 372 Ca 0.40 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 2brk s VAL 372 Cb 0.03 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.46 2brk s VAL 372 CO 0.24 0.31 0.00 0.00 -0.31 0.00 0.00 175.10 175.34 2brk n ALA 373 N 2.02 0.00 -2.59 1.32 0.00 -0.64 -2.78 120.51 117.84 2brk n ALA 373 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.05 2brk n ALA 373 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 2brk n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2brk s HIS 374 N -2.31 1.43 0.27 0.00 3.76 0.50 -1.00 115.29 117.95 2brk s HIS 374 Ca 0.00 -0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 54.54 2brk s HIS 374 Cb 0.00 -0.85 0.06 0.00 1.11 0.00 0.00 32.58 32.89 2brk s HIS 374 CO 0.00 0.05 0.37 -0.40 -0.85 0.00 0.00 174.74 173.91 2brk n ASP 375 N 1.92 0.39 -0.36 1.40 5.68 0.01 -0.85 116.55 124.74 2brk n ASP 375 Ca -0.18 -1.35 -0.02 0.00 -0.50 0.00 0.00 54.79 52.75 2brk n ASP 375 Cb 0.54 -0.25 0.11 0.00 -1.14 0.00 0.00 41.12 40.39 2brk n ASP 375 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2brk h ALA 376 N -0.77 1.24 0.00 2.12 0.00 -1.90 -0.63 119.26 119.32 2brk h ALA 376 Ca -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2brk h ALA 376 Cb 0.42 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2brk h ALA 376 CO 0.12 0.56 0.00 -1.13 0.00 0.00 0.00 179.25 178.80 2brk n SER 377 N -4.45 0.00 0.00 0.00 3.41 -1.26 -4.88 113.62 106.45 2brk n SER 377 Ca 0.12 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2brk n SER 377 Cb 0.05 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2brk n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2brk n GLY 378 N 0.35 0.72 3.74 5.00 0.00 -0.24 -5.05 105.19 109.70 2brk n GLY 378 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2brk n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2brk s LYS 379 N -0.57 4.38 0.17 1.61 2.20 -1.26 -4.69 119.74 121.59 2brk s LYS 379 Ca 0.00 2.08 -0.32 0.00 -0.36 0.00 0.00 55.97 57.37 2brk s LYS 379 Cb 0.00 -3.18 -0.12 0.00 -1.51 0.00 0.00 37.83 33.02 2brk s LYS 379 CO 0.00 -0.26 1.73 0.54 -0.36 0.00 0.00 175.35 177.00 2brk n ARG 380 N 2.52 2.67 -4.61 4.03 1.74 -1.26 -0.81 116.66 120.94 2brk n ARG 380 Ca 0.06 0.97 -0.26 0.00 -0.77 0.00 0.00 57.85 57.84 2brk n ARG 380 Cb 0.42 -2.81 -0.17 0.00 -1.02 0.00 0.00 32.46 28.89 2brk n ARG 380 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2brk s VAL 381 N 1.59 1.29 0.01 1.55 1.01 -0.17 -4.90 120.40 120.78 2brk s VAL 381 Ca 0.78 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 2brk s VAL 381 Cb -0.53 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 2brk s VAL 381 CO 0.35 0.39 0.35 -0.31 0.00 0.00 0.00 175.10 175.88 2brk s TYR 382 N 0.73 3.64 0.15 5.22 1.51 -1.26 -1.62 117.35 125.72 2brk s TYR 382 Ca -0.13 0.80 -0.08 0.00 -1.01 0.00 0.00 57.07 56.65 2brk s TYR 382 Cb -0.16 -2.15 -0.01 0.00 -0.11 0.00 0.00 41.96 39.53 2brk s TYR 382 CO 0.03 0.61 0.25 1.52 -1.11 0.00 0.00 175.55 176.85 2brk s TYR 383 N -1.21 0.41 -0.09 2.71 -0.85 -0.32 -4.96 117.35 113.04 2brk s TYR 383 Ca 0.26 -0.79 -0.15 0.00 -0.52 0.00 0.00 57.07 55.88 2brk s TYR 383 Cb -0.15 -0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.05 2brk s TYR 383 CO 0.14 -0.68 0.37 -1.17 -1.52 0.00 0.00 175.55 172.69 2brk s LEU 384 N -2.96 4.35 0.00 -3.49 2.96 -1.26 -0.92 118.68 117.36 2brk s LEU 384 Ca 0.16 0.75 0.06 0.00 -0.22 0.00 0.00 54.13 54.88 2brk s LEU 384 Cb 0.04 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 2brk s LEU 384 CO -0.01 0.18 0.20 1.07 -1.32 0.00 0.00 176.35 176.47 2brk n THR 385 N 2.82 0.00 -3.80 3.68 5.66 -0.26 -4.74 114.28 117.64 2brk n THR 385 Ca -0.12 -2.01 -0.08 0.00 -3.05 0.00 0.00 64.05 58.79 2brk n THR 385 Cb 0.52 0.92 -0.02 0.00 -1.55 0.00 0.00 70.33 70.20 2brk n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2brk s ARG 386 N -3.17 1.67 0.14 1.09 1.70 -1.26 -0.91 118.95 118.20 2brk s ARG 386 Ca 0.28 -0.93 -0.32 0.00 -0.47 0.00 0.00 55.73 54.30 2brk s ARG 386 Cb 0.01 0.59 -0.11 0.00 -0.57 0.00 0.00 34.95 34.87 2brk s ARG 386 CO 0.20 -0.75 1.81 -3.47 -1.08 0.00 0.00 175.30 172.01 2brk n ASP 387 N -0.43 4.00 -0.10 -2.89 -0.08 -1.26 -4.89 116.55 110.90 2brk n ASP 387 Ca -0.06 1.00 0.16 0.00 -1.51 0.00 0.00 54.79 54.38 2brk n ASP 387 Cb 0.60 -1.55 0.85 0.00 2.34 0.00 0.00 41.12 43.37 2brk n ASP 387 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2brk n PRO 388 N 5.25 1.12 0.13 -0.67 -0.04 -1.26 -4.39 135.00 135.13 2brk n PRO 388 Ca 0.18 -0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.30 2brk n PRO 388 Cb 0.36 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 2brk n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2brk h THR 389 N 0.48 0.31 -0.20 0.52 2.02 -1.95 -1.19 112.91 112.92 2brk h THR 389 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2brk h THR 389 Cb 0.11 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2brk h THR 389 CO 0.00 0.00 -0.02 0.74 0.37 0.00 0.00 175.52 176.61 2brk h THR 390 N -0.57 1.27 -0.68 3.16 2.02 -1.98 -1.66 112.91 114.48 2brk h THR 390 Ca 0.02 -0.95 0.08 0.00 0.77 0.00 0.00 66.41 66.33 2brk h THR 390 Cb 0.58 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 2brk h THR 390 CO -0.17 0.29 0.45 -0.65 0.37 0.00 0.00 175.52 175.81 2brk h PRO 391 N 0.10 0.60 -0.19 6.66 0.11 -1.81 -0.46 132.00 137.00 2brk h PRO 391 Ca 0.05 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 2brk h PRO 391 Cb 0.45 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2brk h PRO 391 CO 0.01 0.39 -0.45 -0.07 -0.21 0.00 0.00 178.00 177.68 2brk h LEU 392 N 0.61 0.72 -0.85 2.35 3.38 -1.01 -1.94 115.31 118.57 2brk h LEU 392 Ca 0.30 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2brk h LEU 392 Cb 0.39 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2brk h LEU 392 CO -0.10 1.16 0.16 0.00 0.09 0.00 0.00 178.44 179.75 2brk h ALA 393 N 0.59 1.07 -0.28 1.53 0.00 -0.92 -0.74 119.26 120.50 2brk h ALA 393 Ca -0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 2brk h ALA 393 Cb 1.06 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2brk h ALA 393 CO 0.10 0.62 -0.50 0.00 0.00 0.00 0.00 179.25 179.46 2brk h ARG 394 N 0.97 0.78 -0.32 0.00 3.08 -1.08 -2.02 114.38 115.79 2brk h ARG 394 Ca 0.21 -0.47 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 2brk h ARG 394 Cb 0.34 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2brk h ARG 394 CO -0.00 1.10 -0.14 0.00 -1.07 0.00 0.00 179.97 179.86 2brk h ALA 395 N 0.82 1.17 0.07 0.04 0.00 -1.09 -2.45 119.26 117.81 2brk h ALA 395 Ca 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2brk h ALA 395 Cb 1.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2brk h ALA 395 CO 0.11 0.53 -0.03 0.00 0.00 0.00 0.00 179.25 179.85 2brk h ALA 396 N 1.35 -0.09 -0.90 0.00 0.00 -0.78 -2.28 119.26 116.57 2brk h ALA 396 Ca 0.09 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.10 2brk h ALA 396 Cb 0.54 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 2brk h ALA 396 CO 0.03 -0.49 0.47 2.35 0.00 0.00 0.00 179.25 181.61 2brk h TRP 397 N -0.21 0.82 -0.01 0.00 2.91 -1.28 -1.70 115.95 116.46 2brk h TRP 397 Ca -0.01 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2brk h TRP 397 Cb 0.18 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 2brk h TRP 397 CO -0.03 0.15 0.00 0.39 -1.03 0.00 0.00 178.44 177.91 2brk n GLU 398 N -4.88 1.12 0.04 2.65 1.02 -0.93 -1.23 120.64 118.43 2brk n GLU 398 Ca 0.20 -0.18 -0.11 0.00 -0.02 0.00 0.00 57.16 57.05 2brk n GLU 398 Cb 0.51 -1.42 -0.13 0.00 -0.02 0.00 0.00 31.44 30.38 2brk n GLU 398 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2brk h THR 399 N 0.41 1.32 0.00 2.62 2.02 -0.76 -3.40 112.91 115.12 2brk h THR 399 Ca 0.00 -3.04 -0.03 0.00 0.77 0.00 0.00 66.41 64.12 2brk h THR 399 Cb 0.09 2.72 -0.00 0.00 -1.74 0.00 0.00 68.15 69.22 2brk h THR 399 CO 0.00 0.81 -0.77 0.00 0.37 0.00 0.00 175.52 175.92 2brk n ALA 400 N -2.51 0.63 -1.06 6.16 0.00 -0.98 -4.94 120.51 117.81 2brk n ALA 400 Ca -0.10 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2brk n ALA 400 Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.45 2brk n ALA 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2brk n ARG 401 N -4.54 0.00 0.00 0.00 5.12 -0.37 -5.14 116.66 111.73 2brk n ARG 401 Ca -0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 2brk n ARG 401 Cb 0.39 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.69 2brk n ARG 401 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2brk n HIS 402 N 0.00 0.00 -4.15 -1.55 -0.00 -1.26 -4.87 115.22 103.39 2brk n HIS 402 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2brk n HIS 402 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.92 2brk n HIS 402 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2brk s THR 403 N -1.06 0.00 0.14 0.61 -4.23 -1.26 -5.04 115.64 104.80 2brk s THR 403 Ca 0.00 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 58.73 2brk s THR 403 Cb 0.00 -2.48 -0.18 0.00 1.34 0.00 0.00 72.50 71.19 2brk s THR 403 CO 0.00 0.00 1.33 -0.65 -0.54 0.00 0.00 174.62 174.76 2brk h PRO 404 N 2.34 0.18 0.00 3.99 0.11 -2.04 -3.39 132.00 133.19 2brk h PRO 404 Ca -0.30 -0.23 -0.22 0.00 0.11 0.00 0.00 66.00 65.36 2brk h PRO 404 Cb 1.24 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 2brk h PRO 404 CO 0.43 1.00 -1.19 0.28 -0.21 0.00 0.00 178.00 178.31 2brk h VAL 405 N 0.09 1.26 -6.89 3.15 2.07 -1.96 -3.34 116.25 110.63 2brk h VAL 405 Ca -0.05 -2.95 -0.56 0.00 0.82 0.00 0.00 66.70 63.95 2brk h VAL 405 Cb 1.61 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 33.97 2brk h VAL 405 CO 0.14 0.72 -1.06 0.59 0.02 0.00 0.00 177.57 177.98 2brk n ASN 406 N -3.21 -4.36 -0.15 0.57 3.02 -1.25 -1.47 115.26 108.42 2brk n ASN 406 Ca -0.06 -1.17 0.19 0.00 -0.03 0.00 0.00 54.58 53.51 2brk n ASN 406 Cb 0.94 -1.57 0.57 0.00 -0.61 0.00 0.00 39.78 39.11 2brk n ASN 406 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2brk h SER 407 N -1.65 0.26 -0.53 6.41 4.64 -1.92 -1.98 113.55 118.79 2brk h SER 407 Ca -0.69 0.02 0.10 0.00 -0.47 0.00 0.00 61.79 60.76 2brk h SER 407 Cb 1.40 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 63.38 2brk h SER 407 CO 0.45 0.12 0.03 4.11 -0.87 0.00 0.00 176.83 180.68 2brk h TRP 408 N 0.27 0.02 0.02 4.77 5.08 -1.88 -0.79 115.95 123.44 2brk h TRP 408 Ca 0.38 0.04 -0.25 0.00 1.08 0.00 0.00 58.89 60.13 2brk h TRP 408 Cb 1.08 0.07 0.01 0.00 -3.00 0.00 0.00 29.16 27.32 2brk h TRP 408 CO -0.00 -0.10 -1.03 1.25 -1.28 0.00 0.00 178.44 177.28 2brk h LEU 409 N 0.15 0.69 -0.64 0.11 5.85 -1.72 -1.98 115.31 117.78 2brk h LEU 409 Ca 0.27 -0.58 0.01 0.00 0.84 0.00 0.00 57.88 58.42 2brk h LEU 409 Cb 0.40 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2brk h LEU 409 CO -0.42 1.38 0.42 1.23 -0.34 0.00 0.00 178.44 180.72 2brk h GLY 410 N 0.88 0.90 1.39 3.75 0.00 -1.35 -1.64 103.07 107.00 2brk h GLY 410 Ca -0.11 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 2brk h GLY 410 CO 0.19 0.33 -0.17 3.43 0.00 0.00 0.00 176.54 180.32 2brk h ASN 411 N 0.87 0.71 -0.88 0.19 2.35 -1.13 0.16 115.58 117.86 2brk h ASN 411 Ca 0.23 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2brk h ASN 411 Cb -0.10 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.02 2brk h ASN 411 CO -0.05 0.89 0.56 0.40 -1.65 0.00 0.00 177.43 177.58 2brk h ILE 412 N 0.63 1.11 0.13 2.81 2.04 -1.07 -0.47 117.51 122.70 2brk h ILE 412 Ca 0.10 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2brk h ILE 412 Cb 0.65 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2brk h ILE 412 CO 0.05 0.19 -0.06 0.40 0.00 0.00 0.00 178.15 178.73 2brk h ILE 413 N 1.07 0.96 0.00 -0.67 2.04 -0.76 -2.13 117.51 118.02 2brk h ILE 413 Ca 0.36 -1.19 -0.11 0.00 1.00 0.00 0.00 64.86 64.92 2brk h ILE 413 Cb 0.06 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2brk h ILE 413 CO -0.14 0.25 -0.51 0.24 0.00 0.00 0.00 178.15 177.99 2brk h MET 414 N -0.82 0.00 -0.04 2.37 2.86 -0.65 -3.12 114.93 115.52 2brk h MET 414 Ca -0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2brk h MET 414 Cb 0.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2brk h MET 414 CO 0.03 0.51 -0.24 0.66 1.06 0.00 0.00 176.91 178.93 2brk n TYR 415 N -3.85 0.14 -0.34 -0.22 4.02 -0.19 -4.80 117.16 111.92 2brk n TYR 415 Ca -0.01 -1.28 0.22 0.00 -0.01 0.00 0.00 57.90 56.81 2brk n TYR 415 Cb 0.54 -0.24 0.45 0.00 -0.02 0.00 0.00 39.34 40.07 2brk n TYR 415 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2brk h ALA 416 N 0.66 1.99 0.00 -0.72 0.00 -1.32 -0.23 119.26 119.64 2brk h ALA 416 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2brk h ALA 416 Cb 1.08 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2brk h ALA 416 CO 0.05 -0.50 0.00 -2.30 0.00 0.00 0.00 179.25 176.49 2brk n PRO 417 N -4.86 0.13 -2.24 0.00 -0.02 -1.26 -4.41 135.00 122.34 2brk n PRO 417 Ca 0.29 0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 2brk n PRO 417 Cb 0.88 -1.70 -0.01 0.00 -0.02 0.00 0.00 33.50 32.65 2brk n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2brk s THR 418 N -3.13 4.00 0.16 3.45 -4.23 -0.10 -4.96 115.64 110.83 2brk s THR 418 Ca 0.08 1.01 -0.14 0.00 -1.18 0.00 0.00 61.69 61.46 2brk s THR 418 Cb 0.12 -3.48 0.05 0.00 1.34 0.00 0.00 72.50 70.53 2brk s THR 418 CO 0.43 -0.50 1.77 0.25 -0.54 0.00 0.00 174.62 176.03 2brk h LEU 419 N 0.80 0.65 -0.87 4.79 6.46 -1.89 -2.75 115.31 122.50 2brk h LEU 419 Ca -0.47 -0.09 -0.12 0.00 -0.12 0.00 0.00 57.88 57.07 2brk h LEU 419 Cb 1.21 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 2brk h LEU 419 CO 0.59 0.56 -0.52 4.11 -0.62 0.00 0.00 178.44 182.55 2brk h TRP 420 N 0.70 0.12 -0.05 1.25 5.08 -1.93 -1.25 115.95 119.87 2brk h TRP 420 Ca 0.18 -0.04 -0.15 0.00 1.08 0.00 0.00 58.89 59.96 2brk h TRP 420 Cb 0.05 -0.02 0.01 0.00 -3.00 0.00 0.00 29.16 26.20 2brk h TRP 420 CO -0.02 0.60 -0.57 0.00 -1.28 0.00 0.00 178.44 177.18 2brk h ALA 421 N 1.39 0.14 -0.20 0.11 0.00 -1.79 -1.91 119.26 116.99 2brk h ALA 421 Ca -0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 2brk h ALA 421 Cb 0.95 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2brk h ALA 421 CO 0.07 0.38 -0.03 0.00 0.00 0.00 0.00 179.25 179.67 2brk h ARG 422 N 0.02 0.38 0.19 0.00 3.08 -1.47 0.14 114.38 116.73 2brk h ARG 422 Ca -0.06 -0.14 -0.33 0.00 0.07 0.00 0.00 59.98 59.53 2brk h ARG 422 Cb 1.24 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 31.29 2brk h ARG 422 CO 0.11 0.61 -1.57 0.52 -1.07 0.00 0.00 179.97 178.57 2brk h MET 423 N 0.11 0.41 0.00 0.04 2.86 -1.33 -3.33 114.93 113.69 2brk h MET 423 Ca 0.05 -0.70 -0.12 0.00 -2.06 0.00 0.00 59.70 56.87 2brk h MET 423 Cb 0.46 0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 2brk h MET 423 CO 0.02 1.34 -1.35 -0.89 1.06 0.00 0.00 176.91 177.08 2brk n ILE 424 N -3.71 1.45 -0.11 -1.22 -0.00 -0.77 -4.24 119.36 110.77 2brk n ILE 424 Ca -0.22 0.01 -0.11 0.00 -0.00 0.00 0.00 62.75 62.43 2brk n ILE 424 Cb 1.04 -2.16 -0.03 0.00 -0.00 0.00 0.00 39.64 38.50 2brk n ILE 424 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2brk h LEU 425 N -0.91 0.55 0.03 1.39 3.38 -1.11 -0.87 115.31 117.77 2brk h LEU 425 Ca -0.19 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2brk h LEU 425 Cb 1.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2brk h LEU 425 CO -0.11 0.74 -0.01 0.24 0.09 0.00 0.00 178.44 179.38 2brk h MET 426 N 0.35 -0.03 -0.13 1.13 2.86 -0.88 -2.19 114.93 116.03 2brk h MET 426 Ca 0.09 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 2brk h MET 426 Cb 0.46 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 2brk h MET 426 CO 0.02 0.41 -0.43 1.15 1.06 0.00 0.00 176.91 179.12 2brk h THR 427 N -0.49 0.13 -0.76 2.22 2.02 -1.65 -0.20 112.91 114.18 2brk h THR 427 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2brk h THR 427 Cb 0.46 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2brk h THR 427 CO 0.01 0.00 0.37 -0.74 0.37 0.00 0.00 175.52 175.52 2brk h HIS 428 N -0.50 1.10 0.03 3.16 6.17 -1.18 -1.80 115.15 122.13 2brk h HIS 428 Ca 0.07 -0.05 -0.24 0.00 0.71 0.00 0.00 60.37 60.86 2brk h HIS 428 Cb 0.63 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 30.23 2brk h HIS 428 CO -0.49 0.80 -1.01 0.74 0.71 0.00 0.00 177.93 178.67 2brk h PHE 429 N 1.07 0.60 0.00 5.26 -1.00 -0.93 -0.93 116.94 121.02 2brk h PHE 429 Ca 0.26 -0.35 -0.02 0.00 2.81 0.00 0.00 57.97 60.67 2brk h PHE 429 Cb 0.12 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.62 2brk h PHE 429 CO 0.01 1.19 -0.08 0.74 -1.61 0.00 0.00 178.31 178.56 2brk h PHE 430 N 0.20 0.00 -0.04 -0.55 -1.00 -1.06 -1.41 116.94 113.09 2brk h PHE 430 Ca -0.10 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.60 2brk h PHE 430 Cb 1.67 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.23 2brk h PHE 430 CO 0.06 0.08 -0.29 0.66 -1.61 0.00 0.00 178.31 177.21 2brk h SER 431 N 0.00 0.32 0.31 2.17 4.64 -0.99 -1.95 113.55 118.05 2brk h SER 431 Ca -0.00 -0.69 -0.05 0.00 -0.47 0.00 0.00 61.79 60.58 2brk h SER 431 Cb 0.46 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2brk h SER 431 CO 0.01 0.96 -0.22 0.40 -0.87 0.00 0.00 176.83 177.11 2brk h ILE 432 N -0.30 1.00 0.10 0.95 2.04 -0.97 -1.40 117.51 118.92 2brk h ILE 432 Ca -0.03 -0.81 -0.27 0.00 1.00 0.00 0.00 64.86 64.75 2brk h ILE 432 Cb 0.98 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2brk h ILE 432 CO 0.06 0.22 -1.29 -0.07 0.00 0.00 0.00 178.15 177.07 2brk h LEU 433 N 0.00 0.32 -0.31 1.44 3.38 -1.27 -2.66 115.31 116.21 2brk h LEU 433 Ca -0.00 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 2brk h LEU 433 Cb 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2brk h LEU 433 CO 0.03 1.30 0.02 -0.07 0.09 0.00 0.00 178.44 179.81 2brk h LEU 434 N 0.06 0.52 -1.47 1.67 3.38 -1.15 -1.00 115.31 117.31 2brk h LEU 434 Ca -0.14 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2brk h LEU 434 Cb 1.95 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2brk h LEU 434 CO 0.17 0.68 -0.26 0.00 0.09 0.00 0.00 178.44 179.12 2brk h ALA 435 N 0.86 1.56 -0.18 1.53 0.00 -1.27 -2.56 119.26 119.21 2brk h ALA 435 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2brk h ALA 435 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2brk h ALA 435 CO 0.01 0.33 0.00 1.04 0.00 0.00 0.00 179.25 180.63 2brk n GLN 436 N -4.23 1.76 -1.35 0.00 6.02 -1.00 -4.98 117.38 113.60 2brk n GLN 436 Ca -0.02 -1.73 -0.12 0.00 -0.01 0.00 0.00 57.00 55.12 2brk n GLN 436 Cb 0.31 -1.33 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 2brk n GLN 436 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2brk n GLU 437 N 0.92 -1.41 -0.75 -1.09 1.02 -0.48 -4.90 120.64 113.94 2brk n GLU 437 Ca 0.12 0.90 -0.12 0.00 -0.02 0.00 0.00 57.16 58.04 2brk n GLU 437 Cb 0.43 -5.17 0.14 0.00 -0.02 0.00 0.00 31.44 26.83 2brk n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2brk n GLN 438 N -1.49 2.14 -0.33 3.49 6.02 -0.60 -4.50 117.38 122.11 2brk n GLN 438 Ca -0.12 -1.95 0.08 0.00 -0.01 0.00 0.00 57.00 55.00 2brk n GLN 438 Cb 0.54 -1.80 0.24 0.00 1.02 0.00 0.00 30.24 30.24 2brk n GLN 438 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2brk h LEU 439 N 1.31 0.76 -1.26 1.08 5.85 -1.91 -2.79 115.31 118.35 2brk h LEU 439 Ca 0.33 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.12 2brk h LEU 439 Cb 2.06 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 43.02 2brk h LEU 439 CO 0.64 0.36 -0.06 -0.62 -0.34 0.00 0.00 178.44 178.42 2brk n GLU 440 N -4.73 1.78 -2.91 1.25 1.02 -1.26 -4.03 120.64 111.76 2brk n GLU 440 Ca 0.19 -1.26 -0.41 0.00 -0.02 0.00 0.00 57.16 55.65 2brk n GLU 440 Cb 0.41 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 2brk n GLU 440 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2brk s LYS 441 N -2.08 4.28 0.46 3.49 2.20 -1.06 -4.93 119.74 122.10 2brk s LYS 441 Ca 0.32 0.98 -0.23 0.00 -0.36 0.00 0.00 55.97 56.68 2brk s LYS 441 Cb 0.20 -3.58 -0.07 0.00 -1.51 0.00 0.00 37.83 32.87 2brk s LYS 441 CO 0.36 -0.34 1.17 0.00 -0.36 0.00 0.00 175.35 176.17 2brk s ALA 442 N 2.21 2.97 0.05 3.13 0.00 -1.26 -4.50 121.76 124.36 2brk s ALA 442 Ca 0.37 0.94 0.07 0.00 0.00 0.00 0.00 51.96 53.34 2brk s ALA 442 Cb -0.16 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2brk s ALA 442 CO 0.12 -0.67 -0.21 -0.51 0.00 0.00 0.00 175.76 174.49 2brk s LEU 443 N -3.04 2.18 0.20 0.00 1.43 0.37 -4.88 118.68 114.94 2brk s LEU 443 Ca 0.64 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 2brk s LEU 443 Cb -0.29 -0.96 -0.08 0.00 0.03 0.00 0.00 46.19 44.89 2brk s LEU 443 CO 0.35 0.15 0.98 -1.81 0.23 0.00 0.00 176.35 176.25 2brk s ASP 444 N -1.26 7.52 -0.20 2.29 1.11 -1.26 -0.12 116.67 124.76 2brk s ASP 444 Ca 0.07 1.96 -0.05 0.00 0.18 0.00 0.00 52.55 54.72 2brk s ASP 444 Cb -0.09 -2.61 0.10 0.00 1.07 0.00 0.00 42.92 41.39 2brk s ASP 444 CO 0.02 0.02 0.35 0.00 1.18 0.00 0.00 175.17 176.74 2brk s GLN 446 N 2.52 3.24 -0.05 0.00 2.00 -0.54 -1.21 119.66 125.61 2brk s GLN 446 Ca 0.05 -0.49 0.03 0.00 -2.00 0.00 0.00 55.36 52.95 2brk s GLN 446 Cb -0.13 -4.13 0.01 0.00 0.80 0.00 0.00 33.01 29.56 2brk s GLN 446 CO -0.13 -1.64 -0.13 0.42 -0.50 0.00 0.00 175.29 173.32 2brk s ILE 447 N 4.07 1.12 -1.32 -2.34 1.01 -0.79 -4.89 121.20 118.06 2brk s ILE 447 Ca 0.27 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 2brk s ILE 447 Cb -0.14 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.33 2brk s ILE 447 CO 0.15 0.34 1.14 -1.22 0.00 0.00 0.00 174.94 175.36 2brk n TYR 448 N 3.57 -2.75 0.00 3.97 4.01 -1.26 -2.40 117.16 122.29 2brk n TYR 448 Ca -0.21 0.99 0.00 0.00 -0.16 0.00 0.00 57.90 58.52 2brk n TYR 448 Cb 0.52 -5.00 0.00 0.00 -0.31 0.00 0.00 39.34 34.55 2brk n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2brk n GLY 449 N -1.86 2.99 3.69 2.72 0.00 -1.26 -5.00 105.19 106.46 2brk n GLY 449 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2brk n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2brk s ALA 450 N -1.57 3.28 -0.36 4.61 0.00 -1.01 -5.06 121.76 121.65 2brk s ALA 450 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 2brk s ALA 450 Cb 0.00 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 2brk s ALA 450 CO 0.00 0.57 0.25 0.00 0.00 0.00 0.00 175.76 176.58 2brk s TYR 452 N 1.68 3.52 -0.62 0.00 1.51 -0.35 -4.91 117.35 118.18 2brk s TYR 452 Ca 0.05 0.24 -0.12 0.00 -1.01 0.00 0.00 57.07 56.24 2brk s TYR 452 Cb -0.18 -1.76 0.16 0.00 -0.11 0.00 0.00 41.96 40.07 2brk s TYR 452 CO 0.10 0.58 0.53 0.45 -1.11 0.00 0.00 175.55 176.10 2brk s SER 453 N -2.56 6.12 -0.19 2.29 0.15 -1.26 -0.39 113.70 117.87 2brk s SER 453 Ca 0.35 -2.23 -0.09 0.00 0.70 0.00 0.00 55.95 54.67 2brk s SER 453 Cb -0.13 -2.11 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 2brk s SER 453 CO 0.28 -0.67 0.12 -0.63 1.20 0.00 0.00 173.24 173.54 2brk s ILE 454 N 0.88 5.31 -0.28 6.45 1.01 0.83 -4.77 121.20 130.63 2brk s ILE 454 Ca 0.10 0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.71 2brk s ILE 454 Cb -0.22 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 2brk s ILE 454 CO -0.03 0.46 0.58 -1.61 0.00 0.00 0.00 174.94 174.34 2brk s GLU 455 N 0.24 3.99 0.51 2.79 2.02 -1.26 -0.48 118.70 126.51 2brk s GLU 455 Ca 0.08 0.34 0.32 0.00 0.02 0.00 0.00 54.97 55.72 2brk s GLU 455 Cb -0.11 -3.69 1.43 0.00 0.10 0.00 0.00 34.13 31.87 2brk s GLU 455 CO -0.01 -0.46 1.81 -1.35 0.02 0.00 0.00 175.26 175.27 2brk h PRO 456 N 8.07 0.09 0.00 0.39 0.11 -1.79 0.78 132.00 139.65 2brk h PRO 456 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2brk h PRO 456 Cb 1.13 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2brk h PRO 456 CO 0.76 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 179.89 2brk n LEU 457 N -4.30 0.46 0.00 2.35 4.77 -1.26 -2.48 117.00 116.54 2brk n LEU 457 Ca 0.24 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.93 2brk n LEU 457 Cb 1.11 -0.49 0.59 0.00 -2.33 0.00 0.00 43.42 42.30 2brk n LEU 457 CO 0.36 -0.33 0.91 0.47 -1.33 0.00 0.00 177.39 177.47 2brk n ASP 458 N -1.98 0.00 -0.24 -1.43 10.43 0.27 -4.50 116.55 119.11 2brk n ASP 458 Ca 0.04 0.25 -0.05 0.00 2.57 0.00 0.00 54.79 57.60 2brk n ASP 458 Cb 0.28 -0.41 0.06 0.00 1.84 0.00 0.00 41.12 42.89 2brk n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2brk h LEU 459 N 0.00 0.73 -1.33 0.64 3.38 -1.57 -2.32 115.31 114.84 2brk h LEU 459 Ca 0.00 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.05 2brk h LEU 459 Cb 0.35 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2brk h LEU 459 CO 0.00 0.52 0.52 -0.65 0.09 0.00 0.00 178.44 178.92 2brk h PRO 460 N 0.87 0.74 -0.02 1.13 0.11 -1.84 -0.07 132.00 132.91 2brk h PRO 460 Ca 0.26 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 66.06 2brk h PRO 460 Cb -0.05 -0.17 0.02 0.00 0.11 0.00 0.00 31.00 30.92 2brk h PRO 460 CO -0.08 0.49 -1.02 1.96 -0.21 0.00 0.00 178.00 179.14 2brk h GLN 461 N 0.76 0.72 -0.48 1.05 7.50 -1.76 -1.80 115.11 121.10 2brk h GLN 461 Ca 0.36 -0.75 -0.00 0.00 0.50 0.00 0.00 58.65 58.76 2brk h GLN 461 Cb 0.39 0.21 -0.02 0.00 0.05 0.00 0.00 27.48 28.11 2brk h GLN 461 CO -0.14 1.33 0.29 0.82 -1.50 0.00 0.00 178.83 179.63 2brk h ILE 462 N 0.41 1.15 -0.31 2.54 2.04 -1.03 -1.62 117.51 120.70 2brk h ILE 462 Ca -0.12 -0.34 -0.18 0.00 1.00 0.00 0.00 64.86 65.22 2brk h ILE 462 Cb 1.67 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2brk h ILE 462 CO 0.20 0.15 -0.50 0.40 0.00 0.00 0.00 178.15 178.40 2brk h ILE 463 N 0.64 1.28 -0.25 -0.67 2.04 -1.05 -1.31 117.51 118.18 2brk h ILE 463 Ca 0.17 -1.68 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 2brk h ILE 463 Cb -0.01 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2brk h ILE 463 CO -0.03 0.55 0.11 -0.08 0.00 0.00 0.00 178.15 178.70 2brk h GLU 464 N 0.67 0.36 -0.59 2.37 4.81 -1.24 0.13 114.58 121.10 2brk h GLU 464 Ca 0.03 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2brk h GLU 464 Cb 1.10 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 2brk h GLU 464 CO 0.11 0.38 0.35 -0.09 -0.73 0.00 0.00 179.01 179.03 2brk h ARG 465 N 0.26 0.67 0.12 1.92 2.43 -1.25 0.19 114.38 118.73 2brk h ARG 465 Ca 0.08 -0.04 -0.28 0.00 -0.81 0.00 0.00 59.98 58.94 2brk h ARG 465 Cb 0.14 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2brk h ARG 465 CO -0.01 0.45 -1.29 1.25 -1.51 0.00 0.00 179.97 178.86 2brk h LEU 466 N 0.69 0.39 0.00 3.80 5.85 -0.95 -3.40 115.31 121.69 2brk h LEU 466 Ca 0.24 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2brk h LEU 466 Cb 0.03 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2brk h LEU 466 CO -0.11 1.35 -0.95 1.41 -0.34 0.00 0.00 178.44 179.80 2brk n HIS 467 N -3.50 0.00 0.00 1.25 8.25 0.45 -4.77 115.22 116.90 2brk n HIS 467 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2brk n HIS 467 Cb 1.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.13 2brk n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2brk n GLY 468 N 2.52 1.13 0.23 -1.41 0.00 0.65 -4.58 105.19 103.72 2brk n GLY 468 Ca 0.00 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 44.18 2brk n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2brk h LEU 469 N 0.00 0.00 -2.62 0.99 3.38 -1.89 -2.86 115.31 112.32 2brk h LEU 469 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2brk h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2brk h LEU 469 CO 0.00 0.23 0.05 0.77 0.09 0.00 0.00 178.44 179.57 2brk h SER 470 N 0.00 0.00 0.04 -0.43 4.64 -1.96 -0.72 113.55 115.11 2brk h SER 470 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2brk h SER 470 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2brk h SER 470 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 2brk h ALA 471 N 1.93 1.00 -0.02 5.18 0.00 -1.75 -1.04 119.26 124.56 2brk h ALA 471 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2brk h ALA 471 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2brk h ALA 471 CO -0.00 0.00 -0.31 1.19 0.00 0.00 0.00 179.25 180.13 2brk n PHE 472 N -2.64 0.00 -0.44 0.00 0.99 -0.28 -4.48 117.46 110.62 2brk n PHE 472 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2brk n PHE 472 Cb 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 39.48 38.52 2brk n PHE 472 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2brk n SER 473 N 0.20 0.73 -4.77 4.37 7.64 -0.46 -4.48 113.62 116.85 2brk n SER 473 Ca 0.11 -1.16 -0.40 0.00 1.01 0.00 0.00 58.87 58.43 2brk n SER 473 Cb 0.47 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 2brk n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2brk s LEU 474 N -0.16 4.33 0.35 -3.43 1.43 -0.79 -4.06 118.68 116.35 2brk s LEU 474 Ca 0.00 2.49 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 2brk s LEU 474 Cb 0.00 -3.81 0.03 0.00 0.03 0.00 0.00 46.19 42.44 2brk s LEU 474 CO 0.00 -0.56 0.67 -1.38 0.23 0.00 0.00 176.35 175.31 2brk s HIS 475 N -1.26 0.37 -1.16 0.29 -3.43 -0.03 -4.94 115.29 105.12 2brk s HIS 475 Ca 0.52 -0.88 -0.12 0.00 -0.80 0.00 0.00 55.06 53.78 2brk s HIS 475 Cb -0.35 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 31.30 2brk s HIS 475 CO 0.45 -1.38 0.79 0.43 -2.00 0.00 0.00 174.74 173.04 2brk n SER 476 N -1.24 -4.57 -4.76 7.38 7.64 -1.26 -0.37 113.62 116.44 2brk n SER 476 Ca -0.05 -0.90 -0.32 0.00 1.01 0.00 0.00 58.87 58.62 2brk n SER 476 Cb 0.60 -3.99 0.08 0.00 -1.01 0.00 0.00 64.21 59.90 2brk n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2brk s TYR 477 N -3.51 2.50 0.39 1.43 1.51 -1.26 -3.89 117.35 114.52 2brk s TYR 477 Ca 0.35 1.57 -0.26 0.00 -1.01 0.00 0.00 57.07 57.72 2brk s TYR 477 Cb -0.10 -3.14 -0.09 0.00 -0.11 0.00 0.00 41.96 38.53 2brk s TYR 477 CO 0.82 -1.86 1.22 -1.54 -1.11 0.00 0.00 175.55 173.08 2brk s SER 478 N -2.96 6.51 0.30 2.29 1.04 -1.12 -4.87 113.70 114.89 2brk s SER 478 Ca 0.64 2.47 0.00 0.00 0.48 0.00 0.00 55.95 59.55 2brk s SER 478 Cb -0.19 -2.63 0.52 0.00 0.10 0.00 0.00 66.02 63.82 2brk s SER 478 CO 0.50 -0.69 1.91 -0.65 0.98 0.00 0.00 173.24 175.28 2brk h PRO 479 N 2.77 1.01 -0.67 4.02 0.11 -1.94 -2.02 132.00 135.29 2brk h PRO 479 Ca -0.49 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.58 2brk h PRO 479 Cb 1.24 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 2brk h PRO 479 CO 0.63 0.67 0.43 0.78 -0.21 0.00 0.00 178.00 180.29 2brk h GLY 480 N 1.04 0.96 1.11 -0.55 0.00 -1.99 -1.71 103.07 101.94 2brk h GLY 480 Ca 0.40 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.24 2brk h GLY 480 CO -0.15 0.29 -0.37 -2.09 0.00 0.00 0.00 176.54 174.21 2brk h GLU 481 N 0.84 0.92 -0.52 4.80 4.57 -1.79 -1.06 114.58 122.35 2brk h GLU 481 Ca 0.26 -0.48 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2brk h GLU 481 Cb -0.02 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2brk h GLU 481 CO -0.09 1.14 0.29 0.82 -1.18 0.00 0.00 179.01 179.98 2brk h ILE 482 N 0.73 1.17 -0.42 2.32 2.04 -1.13 -2.04 117.51 120.18 2brk h ILE 482 Ca 0.06 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 2brk h ILE 482 Cb 0.97 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2brk h ILE 482 CO 0.09 0.18 -0.06 0.78 0.00 0.00 0.00 178.15 179.15 2brk h ASN 483 N 0.69 0.69 -0.22 1.72 2.35 -1.26 -0.78 115.58 118.77 2brk h ASN 483 Ca 0.18 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2brk h ASN 483 Cb 0.04 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2brk h ASN 483 CO -0.03 0.80 0.12 -0.09 -1.65 0.00 0.00 177.43 176.58 2brk h ARG 484 N 0.66 0.31 0.07 0.81 2.43 -0.95 0.24 114.38 117.96 2brk h ARG 484 Ca 0.12 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2brk h ARG 484 Cb 0.49 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2brk h ARG 484 CO 0.03 0.29 -0.03 0.28 -1.51 0.00 0.00 179.97 179.02 2brk h VAL 485 N 0.26 0.94 -0.74 0.20 2.07 -0.97 -2.13 116.25 115.87 2brk h VAL 485 Ca 0.08 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.66 2brk h VAL 485 Cb 0.06 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 2brk h VAL 485 CO -0.01 0.01 0.38 0.00 0.02 0.00 0.00 177.57 177.96 2brk h ALA 486 N 0.81 1.04 0.00 1.67 0.00 -1.06 -0.93 119.26 120.80 2brk h ALA 486 Ca -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2brk h ALA 486 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2brk h ALA 486 CO 0.02 -0.04 -0.27 0.77 0.00 0.00 0.00 179.25 179.73 2brk h SER 487 N 0.62 0.00 -0.07 0.00 0.02 -0.76 -2.41 113.55 110.96 2brk h SER 487 Ca 0.37 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.21 2brk h SER 487 Cb 0.41 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.96 2brk h SER 487 CO -0.28 0.27 -0.38 0.00 -1.14 0.00 0.00 176.83 175.30 2brk h LEU 489 N -0.10 0.82 -0.18 0.00 3.38 -1.11 -1.90 115.31 116.22 2brk h LEU 489 Ca -0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2brk h LEU 489 Cb 1.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2brk h LEU 489 CO 0.08 0.58 -0.03 -0.09 0.09 0.00 0.00 178.44 179.06 2brk h ARG 490 N 0.97 0.34 0.00 1.13 2.43 -1.48 0.01 114.38 117.78 2brk h ARG 490 Ca 0.29 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2brk h ARG 490 Cb -0.05 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2brk h ARG 490 CO -0.09 0.60 -0.18 -0.22 -1.51 0.00 0.00 179.97 178.57 2brk h LYS 491 N 0.06 0.00 -0.18 0.20 3.64 -1.23 -2.96 116.57 116.11 2brk h LYS 491 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2brk h LYS 491 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2brk h LYS 491 CO 0.02 0.18 0.00 1.28 -2.27 0.00 0.00 179.45 178.66 2brk n LEU 492 N -4.21 2.99 -1.00 5.20 4.77 -0.72 -4.97 117.00 119.07 2brk n LEU 492 Ca -0.02 -1.24 -0.09 0.00 -0.03 0.00 0.00 56.01 54.63 2brk n LEU 492 Cb 0.25 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2brk n LEU 492 CO 0.35 0.58 -0.11 0.61 -1.33 0.00 0.00 177.39 177.49 2brk n GLY 493 N 1.24 0.08 3.78 -0.72 0.00 -0.65 -5.03 105.19 103.89 2brk n GLY 493 Ca 0.15 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2brk n GLY 493 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2brk s VAL 494 N -2.44 4.64 0.74 1.61 -7.23 -0.10 -5.03 120.40 112.58 2brk s VAL 494 Ca 0.00 -0.58 -0.17 0.00 -1.81 0.00 0.00 61.98 59.43 2brk s VAL 494 Cb 0.00 -3.18 -0.08 0.00 0.56 0.00 0.00 36.38 33.69 2brk s VAL 494 CO 0.00 0.24 0.14 -2.65 -0.31 0.00 0.00 175.10 172.52 2brk n PRO 495 N 0.83 0.14 -2.21 4.82 -0.02 -1.26 -4.43 135.00 132.88 2brk n PRO 495 Ca -0.11 0.07 -0.26 0.00 -2.02 0.00 0.00 63.50 61.19 2brk n PRO 495 Cb 0.52 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.59 2brk n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2brk s PRO 496 N -2.28 1.95 0.46 0.52 0.04 -1.26 -4.89 135.00 129.54 2brk s PRO 496 Ca 0.58 -0.36 0.14 0.00 0.04 0.00 0.00 61.00 61.40 2brk s PRO 496 Cb -0.34 -2.15 1.09 0.00 0.04 0.00 0.00 34.50 33.14 2brk s PRO 496 CO 0.65 -1.41 2.05 -0.07 0.04 0.00 0.00 177.00 178.26 2brk h LEU 497 N -0.72 0.25 -1.22 -3.56 3.38 -1.96 -0.70 115.31 110.78 2brk h LEU 497 Ca -0.44 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 2brk h LEU 497 Cb 1.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2brk h LEU 497 CO 0.56 0.17 0.11 0.08 0.09 0.00 0.00 178.44 179.45 2brk h ARG 498 N 0.29 0.66 -0.61 1.13 0.11 -2.00 -1.54 114.38 112.41 2brk h ARG 498 Ca 0.16 -0.12 -0.02 0.00 0.10 0.00 0.00 59.98 60.10 2brk h ARG 498 Cb 0.28 -0.11 -0.03 0.00 1.11 0.00 0.00 29.97 31.22 2brk h ARG 498 CO -0.03 0.60 0.29 0.28 0.10 0.00 0.00 179.97 181.20 2brk h VAL 499 N 0.64 1.21 -0.09 0.08 2.07 -1.49 -2.50 116.25 116.19 2brk h VAL 499 Ca 0.15 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 2brk h VAL 499 Cb 0.23 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2brk h VAL 499 CO -0.00 0.25 -0.40 -0.50 0.02 0.00 0.00 177.57 176.93 2brk h TRP 500 N 0.84 0.21 -0.52 1.57 4.06 -1.34 -0.09 115.95 120.68 2brk h TRP 500 Ca 0.21 -0.05 -0.09 0.00 2.06 0.00 0.00 58.89 61.01 2brk h TRP 500 Cb 0.12 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 2brk h TRP 500 CO 0.00 0.56 -0.04 -0.09 -3.56 0.00 0.00 178.44 175.32 2brk h ARG 501 N 0.16 0.94 0.19 0.49 2.43 -1.18 -1.88 114.38 115.53 2brk h ARG 501 Ca 0.01 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 2brk h ARG 501 Cb 0.78 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2brk h ARG 501 CO 0.06 0.98 -0.09 1.25 -1.51 0.00 0.00 179.97 180.65 2brk h HIS 502 N 0.81 -0.24 -0.95 2.20 2.76 -0.90 -2.23 115.15 116.59 2brk h HIS 502 Ca 0.14 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.47 2brk h HIS 502 Cb 0.57 0.08 -0.08 0.00 1.55 0.00 0.00 27.41 29.53 2brk h HIS 502 CO 0.04 0.10 0.60 0.00 -1.30 0.00 0.00 177.93 177.38 2brk h ARG 503 N -0.61 0.70 -0.06 5.26 3.08 -1.10 -2.05 114.38 119.60 2brk h ARG 503 Ca -0.03 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.82 2brk h ARG 503 Cb 0.45 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2brk h ARG 503 CO 0.04 0.46 -0.66 0.00 -1.07 0.00 0.00 179.97 178.75 2brk h ALA 504 N 1.60 0.78 -0.34 0.04 0.00 -1.17 0.15 119.26 120.31 2brk h ALA 504 Ca 0.50 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2brk h ALA 504 Cb 0.82 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2brk h ALA 504 CO -0.27 0.76 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2brk h ARG 505 N 0.17 0.52 -0.00 0.00 3.08 -0.76 0.28 114.38 117.67 2brk h ARG 505 Ca -0.01 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2brk h ARG 505 Cb 1.19 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2brk h ARG 505 CO 0.10 0.55 -0.02 1.03 -1.07 0.00 0.00 179.97 180.56 2brk h SER 506 N 0.50 0.02 -0.78 7.04 0.87 -1.07 -1.97 113.55 118.17 2brk h SER 506 Ca 0.11 -0.65 0.10 0.00 -1.23 0.00 0.00 61.79 60.12 2brk h SER 506 Cb 0.32 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.20 2brk h SER 506 CO 0.01 0.67 0.41 0.58 -0.53 0.00 0.00 176.83 177.96 2brk h VAL 507 N -0.62 0.85 -0.31 2.23 2.07 -0.65 -1.95 116.25 117.87 2brk h VAL 507 Ca -0.00 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2brk h VAL 507 Cb 0.66 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2brk h VAL 507 CO 0.00 0.12 0.12 -0.09 0.02 0.00 0.00 177.57 177.74 2brk h ARG 508 N 0.67 0.47 -0.43 1.57 2.43 -0.44 -2.31 114.38 116.34 2brk h ARG 508 Ca 0.39 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2brk h ARG 508 Cb 0.42 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2brk h ARG 508 CO -0.28 0.48 0.27 0.00 -1.51 0.00 0.00 179.97 178.93 2brk h ALA 509 N 0.96 0.55 -0.22 2.80 0.00 -1.05 -2.01 119.26 120.29 2brk h ALA 509 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2brk h ALA 509 Cb 0.19 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 2brk h ALA 509 CO -0.01 0.03 -0.27 -0.09 0.00 0.00 0.00 179.25 178.91 2brk h ARG 510 N 0.58 -0.28 -0.73 0.00 2.43 -1.27 -2.07 114.38 113.03 2brk h ARG 510 Ca 0.16 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2brk h ARG 510 Cb -0.02 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2brk h ARG 510 CO -0.03 -0.19 0.24 -0.07 -1.51 0.00 0.00 179.97 178.41 2brk h LEU 511 N -0.30 1.06 -1.33 3.80 3.38 -1.21 -2.47 115.31 118.24 2brk h LEU 511 Ca 0.13 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2brk h LEU 511 Cb 0.50 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2brk h LEU 511 CO -0.39 0.97 -0.07 -0.07 0.09 0.00 0.00 178.44 178.97 2brk h LEU 512 N 1.09 0.34 -0.90 1.67 4.07 -1.22 -2.20 115.31 118.16 2brk h LEU 512 Ca 0.24 -0.07 -0.10 0.00 0.08 0.00 0.00 57.88 58.03 2brk h LEU 512 Cb 0.29 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 2brk h LEU 512 CO -0.01 0.46 -0.25 0.28 -1.08 0.00 0.00 178.44 177.84 2brk h SER 513 N 0.35 0.53 0.90 -0.43 0.02 -0.92 -2.98 113.55 111.02 2brk h SER 513 Ca 0.07 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2brk h SER 513 Cb 0.35 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2brk h SER 513 CO 0.02 0.77 0.00 1.56 -1.14 0.00 0.00 176.83 178.04 2brk h GLN 514 N 0.46 0.00 -3.09 3.45 4.20 -1.13 -3.49 115.11 115.51 2brk h GLN 514 Ca 0.07 0.00 0.37 0.00 0.06 0.00 0.00 58.65 59.15 2brk h GLN 514 Cb 0.68 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.36 2brk h GLN 514 CO 0.05 0.00 -0.54 0.41 -0.67 0.00 0.00 178.83 178.08 2brk n GLY 515 N 0.17 -1.95 7.00 3.46 0.00 -1.13 -4.81 105.19 107.94 2brk n GLY 515 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2brk n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brk n GLY 516 N -4.12 3.17 0.08 -0.02 0.00 -1.26 -2.95 105.19 100.09 2brk n GLY 516 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 2brk n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2brk h ARG 517 N 0.00 0.01 -0.30 1.61 3.08 -1.95 -2.80 114.38 114.03 2brk h ARG 517 Ca 0.00 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 2brk h ARG 517 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2brk h ARG 517 CO 0.00 0.92 -0.27 0.00 -1.07 0.00 0.00 179.97 179.55 2brk h ALA 518 N 1.08 0.97 0.00 0.04 0.00 -1.80 -2.22 119.26 117.32 2brk h ALA 518 Ca -0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2brk h ALA 518 Cb 1.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2brk h ALA 518 CO 0.12 0.60 -0.25 0.00 0.00 0.00 0.00 179.25 179.72 2brk h ALA 519 N 1.18 1.36 -0.15 0.00 0.00 -1.26 -1.70 119.26 118.69 2brk h ALA 519 Ca 0.07 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2brk h ALA 519 Cb 0.73 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2brk h ALA 519 CO 0.06 0.31 -0.55 1.15 0.00 0.00 0.00 179.25 180.22 2brk h THR 520 N 0.00 1.34 -0.39 0.00 2.02 -1.17 -1.85 112.91 112.86 2brk h THR 520 Ca -0.00 -1.82 -0.15 0.00 0.77 0.00 0.00 66.41 65.21 2brk h THR 520 Cb 0.51 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2brk h THR 520 CO 0.03 0.56 -0.34 0.00 0.37 0.00 0.00 175.52 176.14 2brk h GLY 522 N 0.73 1.09 1.33 0.00 0.00 -1.32 -1.68 103.07 103.23 2brk h GLY 522 Ca 0.07 -0.55 -0.20 0.00 0.00 0.00 0.00 47.33 46.65 2brk h GLY 522 CO 0.09 0.52 -0.70 1.70 0.00 0.00 0.00 176.54 178.15 2brk h LYS 523 N 1.01 0.67 0.00 4.80 3.64 -1.10 -3.08 116.57 122.50 2brk h LYS 523 Ca 0.24 -0.51 -0.37 0.00 -1.27 0.00 0.00 60.65 58.75 2brk h LYS 523 Cb 0.15 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 2brk h LYS 523 CO -0.03 1.12 -2.02 0.66 -2.27 0.00 0.00 179.45 176.92 2brk n TYR 524 N -3.92 0.40 0.21 1.91 4.02 -0.80 -3.34 117.16 115.64 2brk n TYR 524 Ca -0.05 0.17 0.08 0.00 -0.01 0.00 0.00 57.90 58.09 2brk n TYR 524 Cb 0.70 -1.03 0.45 0.00 -0.02 0.00 0.00 39.34 39.43 2brk n TYR 524 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2brk h LEU 525 N -1.00 0.00 -2.71 7.72 3.38 -1.49 -3.26 115.31 117.95 2brk h LEU 525 Ca -0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2brk h LEU 525 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2brk h LEU 525 CO -0.34 0.29 -0.13 0.49 0.09 0.00 0.00 178.44 178.84 2brk n PHE 526 N -3.57 0.00 0.12 1.13 3.01 -1.16 -4.66 117.46 112.33 2brk n PHE 526 Ca -0.01 -0.70 0.18 0.00 1.01 0.00 0.00 57.45 57.93 2brk n PHE 526 Cb 0.43 -0.12 0.75 0.00 -0.01 0.00 0.00 39.48 40.53 2brk n PHE 526 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 2brk h ASN 527 N 0.00 0.00 0.90 4.37 -0.73 -1.60 -2.29 115.58 116.23 2brk h ASN 527 Ca 0.00 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.11 2brk h ASN 527 Cb 1.08 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.66 2brk h ASN 527 CO 0.00 0.00 -0.31 4.11 -0.37 0.00 0.00 177.43 180.86 2brk h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.83 -3.10 115.95 116.77 2brk h TRP 528 Ca 0.15 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.12 2brk h TRP 528 Cb 0.72 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.88 2brk h TRP 528 CO 0.00 0.31 -0.01 0.00 -1.28 0.00 0.00 178.44 177.46 2brk h ALA 529 N 1.69 0.99 -2.64 0.11 0.00 -1.77 -3.46 119.26 114.19 2brk h ALA 529 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 2brk h ALA 529 Cb 0.84 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.73 2brk h ALA 529 CO 0.04 0.00 0.42 0.14 0.00 0.00 0.00 179.25 179.85 2brk s VAL 530 N -3.15 2.93 -2.00 0.00 -7.23 -1.17 -4.77 120.40 105.01 2brk s VAL 530 Ca 0.09 0.53 0.16 0.00 -1.81 0.00 0.00 61.98 60.94 2brk s VAL 530 Cb 0.09 -3.14 0.44 0.00 0.56 0.00 0.00 36.38 34.34 2brk s VAL 530 CO 0.63 -0.18 1.34 0.29 -0.31 0.00 0.00 175.10 176.88