#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kee n PRO 2 N 0.00 0.37 -1.85 0.03 -0.04 -1.25 -3.00 135.00 129.25 1kee n PRO 2 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1kee n PRO 2 Cb 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.48 1kee n PRO 2 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1kee s LYS 3 N -2.18 3.51 0.32 0.54 -2.85 -1.26 -4.01 119.74 113.80 1kee s LYS 3 Ca 0.00 2.27 -0.29 0.00 -1.00 0.00 0.00 55.97 56.95 1kee s LYS 3 Cb 0.00 -2.49 -0.11 0.00 -2.06 0.00 0.00 37.83 33.16 1kee s LYS 3 CO 0.00 -0.91 1.56 1.03 0.10 0.00 0.00 175.35 177.13 1kee s ARG 4 N -2.62 4.12 -0.06 1.78 0.52 0.10 -4.96 118.95 117.83 1kee s ARG 4 Ca 0.65 2.57 0.18 0.00 -0.52 0.00 0.00 55.73 58.61 1kee s ARG 4 Cb -0.41 -3.01 -0.27 0.00 0.52 0.00 0.00 34.95 31.78 1kee s ARG 4 CO 0.51 -0.60 0.33 -2.37 0.02 0.00 0.00 175.30 173.18 1kee n THR 5 N 1.66 0.29 1.48 0.02 5.66 -1.26 -4.33 114.28 117.81 1kee n THR 5 Ca 0.06 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1kee n THR 5 Cb 0.38 -0.08 0.02 0.00 -1.55 0.00 0.00 70.33 69.10 1kee n THR 5 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1kee n ASP 6 N -2.27 0.63 -3.79 1.09 3.85 -1.26 -4.70 116.55 110.10 1kee n ASP 6 Ca -0.10 -2.02 -0.22 0.00 -0.71 0.00 0.00 54.79 51.74 1kee n ASP 6 Cb 0.63 -0.22 -0.17 0.00 -1.35 0.00 0.00 41.12 40.00 1kee n ASP 6 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1kee s ILE 7 N -1.59 0.39 -0.10 2.12 1.01 -1.26 -4.99 121.20 116.78 1kee s ILE 7 Ca 0.03 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.77 1kee s ILE 7 Cb 0.02 -0.53 -0.06 0.00 0.01 0.00 0.00 42.46 41.89 1kee s ILE 7 CO 0.01 0.25 -0.09 0.29 0.00 0.00 0.00 174.94 175.41 1kee n LYS 8 N 5.01 0.24 -4.69 2.79 5.02 -1.26 -4.96 118.16 120.30 1kee n LYS 8 Ca -0.09 0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 1kee n LYS 8 Cb 0.50 -1.15 -0.12 0.00 -0.02 0.00 0.00 35.03 34.24 1kee n LYS 8 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1kee s SER 9 N -5.06 4.30 -0.02 4.39 1.04 -1.26 0.17 113.70 117.26 1kee s SER 9 Ca -0.13 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.15 1kee s SER 9 Cb 0.04 -0.96 0.01 0.00 0.10 0.00 0.00 66.02 65.21 1kee s SER 9 CO 0.22 0.32 -0.06 -0.63 0.98 0.00 0.00 173.24 174.06 1kee s ILE 10 N -0.84 0.58 -0.24 -1.02 1.01 0.25 -0.85 121.20 120.10 1kee s ILE 10 Ca 0.13 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 1kee s ILE 10 Cb -0.11 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 1kee s ILE 10 CO 0.03 0.19 0.15 -0.22 0.00 0.00 0.00 174.94 175.09 1kee s LEU 11 N 0.26 4.08 -0.24 2.97 2.96 0.17 -0.70 118.68 128.17 1kee s LEU 11 Ca -0.03 0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 1kee s LEU 11 Cb -0.08 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1kee s LEU 11 CO 0.00 0.07 0.03 -0.63 -1.32 0.00 0.00 176.35 174.50 1kee s ILE 12 N 1.01 3.91 -0.27 6.68 1.01 0.72 0.23 121.20 134.49 1kee s ILE 12 Ca 0.07 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 1kee s ILE 12 Cb -0.13 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.52 1kee s ILE 12 CO 0.04 0.35 1.11 -0.76 0.00 0.00 0.00 174.94 175.68 1kee s LEU 13 N 1.55 4.01 0.83 2.97 1.43 -0.91 -2.70 118.68 125.86 1kee s LEU 13 Ca 0.06 1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 54.28 1kee s LEU 13 Cb -0.15 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.62 1kee s LEU 13 CO 0.01 -0.82 1.18 -0.83 0.23 0.00 0.00 176.35 176.11 1kee s GLY 14 N 1.68 1.60 0.16 -3.19 0.00 -0.31 -3.32 107.32 103.93 1kee s GLY 14 Ca 0.47 -0.66 0.20 0.00 0.00 0.00 0.00 44.72 44.74 1kee s GLY 14 CO 0.13 -0.15 0.99 0.00 0.00 0.00 0.00 173.10 174.08 1kee h ALA 15 N -1.14 0.57 0.00 3.20 0.00 -1.83 -3.37 119.26 116.69 1kee h ALA 15 Ca -0.47 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1kee h ALA 15 Cb 1.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1kee h ALA 15 CO 0.64 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.64 1kee n GLY 16 N 1.25 -1.78 3.75 0.00 0.00 -1.26 -4.73 105.19 102.43 1kee n GLY 16 Ca -0.03 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 1kee n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kee s PRO 17 N 0.00 3.22 0.12 1.61 0.04 -1.26 -4.50 135.00 134.23 1kee s PRO 17 Ca 0.00 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 1kee s PRO 17 Cb 0.00 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 1kee s PRO 17 CO 0.00 -1.06 1.37 0.42 0.04 0.00 0.00 177.00 177.77 1kee s ILE 18 N -1.42 3.33 0.16 0.56 -1.09 -1.26 -4.92 121.20 116.57 1kee s ILE 18 Ca 0.71 0.97 0.02 0.00 -2.23 0.00 0.00 60.65 60.12 1kee s ILE 18 Cb -0.35 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 1kee s ILE 18 CO 0.41 0.08 -0.01 0.68 -1.23 0.00 0.00 174.94 174.88 1kee s VAL 19 N 1.01 0.69 0.08 2.92 -7.23 -0.76 -1.67 120.40 115.45 1kee s VAL 19 Ca 0.64 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.52 1kee s VAL 19 Cb -0.36 -2.07 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 1kee s VAL 19 CO 0.31 -0.52 1.82 -0.63 -0.31 0.00 0.00 175.10 175.77 1kee s ILE 20 N -3.64 2.80 0.00 -0.62 1.01 -1.26 -1.60 121.20 117.89 1kee s ILE 20 Ca 0.22 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1kee s ILE 20 Cb 0.06 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1kee s ILE 20 CO 0.03 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1kee n GLY 21 N 4.26 0.66 2.72 6.18 0.00 -1.26 -4.92 105.19 112.83 1kee n GLY 21 Ca 0.18 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 1kee n GLY 21 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1kee n GLN 22 N -2.67 0.44 0.00 1.61 7.27 -0.62 -4.66 117.38 118.74 1kee n GLN 22 Ca 0.00 -1.46 0.00 0.00 0.07 0.00 0.00 57.00 55.61 1kee n GLN 22 Cb 0.00 -0.91 0.00 0.00 2.41 0.00 0.00 30.24 31.74 1kee n GLN 22 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kee n ALA 23 N 2.30 0.00 -0.23 1.69 0.00 -1.25 -1.83 120.51 121.20 1kee n ALA 23 Ca 0.12 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.86 1kee n ALA 23 Cb 0.62 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.79 1kee n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kee h GLU 25 N 0.02 0.00 0.00 0.00 9.09 -1.90 0.47 114.58 122.26 1kee h GLU 25 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 1kee h GLU 25 Cb 1.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.95 1kee h GLU 25 CO -0.02 0.00 -0.24 0.74 0.05 0.00 0.00 179.01 179.54 1kee h PHE 26 N 0.00 0.00 0.10 2.06 0.04 -1.65 -1.98 116.94 115.52 1kee h PHE 26 Ca 0.32 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.93 1kee h PHE 26 Cb 1.59 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.76 1kee h PHE 26 CO 0.00 0.00 -0.69 0.22 -0.60 0.00 0.00 178.31 177.24 1kee h ASP 27 N 0.00 0.43 -0.30 2.17 -0.00 -0.30 -0.07 116.42 118.35 1kee h ASP 27 Ca 0.00 -0.92 0.05 0.00 -0.00 0.00 0.00 57.03 56.17 1kee h ASP 27 Cb 0.82 -0.14 -0.05 0.00 -0.00 0.00 0.00 39.33 39.96 1kee h ASP 27 CO 0.00 1.31 0.00 0.22 -0.00 0.00 0.00 179.24 180.78 1kee h TYR 28 N -0.38 -0.01 -0.15 0.28 3.20 -1.39 0.63 116.97 119.15 1kee h TYR 28 Ca -0.11 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 1kee h TYR 28 Cb 1.51 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.82 1kee h TYR 28 CO 0.19 -0.05 -0.14 0.77 -1.64 0.00 0.00 178.16 177.30 1kee h SER 29 N 0.09 0.38 -0.50 -2.11 0.02 -1.43 -1.86 113.55 108.15 1kee h SER 29 Ca 0.15 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1kee h SER 29 Cb 0.19 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1kee h SER 29 CO -0.24 0.77 0.27 1.23 -1.14 0.00 0.00 176.83 177.72 1kee h GLY 30 N -0.01 0.75 0.54 -3.77 0.00 -0.81 0.29 103.07 100.08 1kee h GLY 30 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.04 1kee h GLY 30 CO 0.03 0.34 -0.12 0.00 0.00 0.00 0.00 176.54 176.79 1kee h ALA 31 N 1.11 -0.03 -0.89 3.60 0.00 0.32 -0.83 119.26 122.54 1kee h ALA 31 Ca 0.18 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1kee h ALA 31 Cb 0.07 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1kee h ALA 31 CO -0.03 -0.57 0.54 1.96 0.00 0.00 0.00 179.25 181.15 1kee h GLN 32 N -0.14 0.89 -0.38 0.00 4.20 -1.03 0.53 115.11 119.19 1kee h GLN 32 Ca 0.09 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1kee h GLN 32 Cb 0.27 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1kee h GLN 32 CO -0.21 0.59 0.07 0.00 -0.67 0.00 0.00 178.83 178.60 1kee h ALA 33 N 1.47 0.50 -0.02 3.87 0.00 -0.30 -0.94 119.26 123.84 1kee h ALA 33 Ca 0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1kee h ALA 33 Cb 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1kee h ALA 33 CO -0.23 0.20 0.01 0.00 0.00 0.00 0.00 179.25 179.23 1kee h LYS 35 N -0.04 0.11 -0.08 0.00 3.64 -0.84 0.47 116.57 119.82 1kee h LYS 35 Ca 0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1kee h LYS 35 Cb 0.07 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1kee h LYS 35 CO -0.00 0.07 0.04 0.00 -2.27 0.00 0.00 179.45 177.29 1kee h ALA 36 N 1.45 0.11 -0.11 5.00 0.00 -1.00 -1.01 119.26 123.69 1kee h ALA 36 Ca 0.25 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1kee h ALA 36 Cb 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1kee h ALA 36 CO -0.42 -0.35 -0.40 -0.07 0.00 0.00 0.00 179.25 178.01 1kee h LEU 37 N 0.04 0.24 -0.03 0.00 3.38 -0.50 -2.38 115.31 116.06 1kee h LEU 37 Ca 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1kee h LEU 37 Cb 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1kee h LEU 37 CO -0.00 0.62 -0.01 -0.09 0.09 0.00 0.00 178.44 179.05 1kee h ARG 38 N 0.19 0.06 -0.89 1.13 2.43 0.08 -0.81 114.38 116.58 1kee h ARG 38 Ca 0.02 -0.02 0.24 0.00 -0.81 0.00 0.00 59.98 59.40 1kee h ARG 38 Cb 0.79 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.29 1kee h ARG 38 CO 0.06 0.42 0.62 0.93 -1.51 0.00 0.00 179.97 180.49 1kee h GLU 39 N -0.30 0.16 -0.13 0.20 5.08 -1.01 0.50 114.58 119.08 1kee h GLU 39 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1kee h GLU 39 Cb 0.40 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1kee h GLU 39 CO 0.00 0.11 0.00 0.39 -1.00 0.00 0.00 179.01 178.51 1kee n GLU 40 N -4.38 1.58 -2.36 2.33 -0.58 -0.91 -4.94 120.64 111.38 1kee n GLU 40 Ca 0.19 -0.87 -0.08 0.00 -0.42 0.00 0.00 57.16 55.97 1kee n GLU 40 Cb 0.85 -1.37 0.01 0.00 -0.57 0.00 0.00 31.44 30.36 1kee n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kee n GLY 41 N 1.06 0.12 3.92 0.62 0.00 0.18 -5.04 105.19 106.05 1kee n GLY 41 Ca 0.16 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 1kee n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kee s TYR 42 N -2.60 3.50 -0.51 1.61 2.02 -0.32 -5.03 117.35 116.02 1kee s TYR 42 Ca 0.06 0.49 -0.20 0.00 -0.37 0.00 0.00 57.07 57.05 1kee s TYR 42 Cb -0.03 -1.99 0.05 0.00 -0.40 0.00 0.00 41.96 39.59 1kee s TYR 42 CO 0.08 0.13 0.67 0.50 -1.57 0.00 0.00 175.55 175.36 1kee s ARG 43 N -4.00 3.16 -0.28 -0.62 3.52 0.13 -4.62 118.95 116.24 1kee s ARG 43 Ca 0.42 -0.77 -0.11 0.00 -0.13 0.00 0.00 55.73 55.14 1kee s ARG 43 Cb -0.10 -4.08 -0.05 0.00 -1.56 0.00 0.00 34.95 29.16 1kee s ARG 43 CO 0.34 -1.25 0.18 0.08 -0.81 0.00 0.00 175.30 173.84 1kee s VAL 44 N 2.83 5.29 -0.10 7.11 1.01 -1.26 0.87 120.40 136.15 1kee s VAL 44 Ca 0.18 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1kee s VAL 44 Cb -0.18 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1kee s VAL 44 CO 0.13 0.26 -0.11 -0.63 0.00 0.00 0.00 175.10 174.76 1kee s ILE 45 N 1.70 3.31 0.04 2.22 1.01 0.12 -1.40 121.20 128.19 1kee s ILE 45 Ca 0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 1kee s ILE 45 Cb -0.16 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1kee s ILE 45 CO 0.10 0.55 -0.03 -1.48 0.00 0.00 0.00 174.94 174.08 1kee s LEU 46 N -0.13 2.41 -0.06 2.97 0.05 -0.72 -0.20 118.68 122.99 1kee s LEU 46 Ca -0.00 -0.84 0.00 0.00 0.05 0.00 0.00 54.13 53.34 1kee s LEU 46 Cb -0.13 0.17 0.02 0.00 -2.05 0.00 0.00 46.19 44.20 1kee s LEU 46 CO 0.03 -0.51 -0.04 0.54 -0.55 0.00 0.00 176.35 175.83 1kee s VAL 47 N -3.14 0.60 -0.28 1.48 0.11 -1.10 -0.07 120.40 118.00 1kee s VAL 47 Ca -0.00 -0.10 -0.11 0.00 -2.93 0.00 0.00 61.98 58.84 1kee s VAL 47 Cb 0.02 -0.65 0.11 0.00 -1.53 0.00 0.00 36.38 34.33 1kee s VAL 47 CO -0.07 0.26 0.63 0.21 -3.33 0.00 0.00 175.10 172.80 1kee s ASN 48 N 1.32 -1.00 0.33 3.54 3.84 0.08 -1.17 114.94 121.89 1kee s ASN 48 Ca -0.04 1.49 0.26 0.00 0.21 0.00 0.00 52.86 54.78 1kee s ASN 48 Cb -0.14 1.95 1.03 0.00 -0.55 0.00 0.00 41.25 43.54 1kee s ASN 48 CO -0.02 -0.22 1.78 0.77 -2.79 0.00 0.00 177.10 176.61 1kee h SER 49 N 7.75 0.00 -3.56 -4.21 4.64 -1.79 -3.33 113.55 113.05 1kee h SER 49 Ca -0.21 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.52 1kee h SER 49 Cb 1.13 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.13 1kee h SER 49 CO 0.12 0.00 0.63 0.21 -0.87 0.00 0.00 176.83 176.93 1kee s ASN 50 N -4.71 6.63 0.46 4.97 2.47 -1.26 -1.13 114.94 122.37 1kee s ASN 50 Ca 0.04 0.44 0.26 0.00 0.42 0.00 0.00 52.86 54.02 1kee s ASN 50 Cb 0.09 -2.47 0.62 0.00 -1.45 0.00 0.00 41.25 38.04 1kee s ASN 50 CO 0.46 -0.95 1.71 1.55 -3.72 0.00 0.00 177.10 176.15 1kee h PRO 51 N 8.72 0.00 -1.47 0.43 0.13 -1.84 -3.32 132.00 134.64 1kee h PRO 51 Ca -0.23 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.70 1kee h PRO 51 Cb 1.08 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.11 1kee h PRO 51 CO 1.01 0.03 0.25 0.00 -0.23 0.00 0.00 178.00 179.06 1kee n ALA 52 N -2.11 4.33 -2.51 -0.56 0.00 -1.26 -4.70 120.51 113.70 1kee n ALA 52 Ca 0.03 -1.03 -0.32 0.00 0.00 0.00 0.00 53.44 52.12 1kee n ALA 52 Cb 0.48 -1.21 -0.15 0.00 0.00 0.00 0.00 19.45 18.56 1kee n ALA 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1kee s THR 53 N -1.36 2.42 0.21 0.00 -4.23 -1.25 -4.65 115.64 106.79 1kee s THR 53 Ca 0.19 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.71 1kee s THR 53 Cb 0.16 -1.90 0.02 0.00 1.34 0.00 0.00 72.50 72.12 1kee s THR 53 CO 0.01 0.58 1.60 0.40 -0.54 0.00 0.00 174.62 176.67 1kee h ILE 54 N 4.64 1.28 0.00 2.99 1.08 -1.90 -2.50 117.51 123.09 1kee h ILE 54 Ca -0.40 -1.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.65 1kee h ILE 54 Cb 1.15 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 36.21 1kee h ILE 54 CO 0.49 0.47 0.01 1.15 -0.69 0.00 0.00 178.15 179.57 1kee n MET 55 N -4.09 0.10 0.00 2.37 0.00 -1.26 -0.22 117.12 114.02 1kee n MET 55 Ca -0.01 0.60 0.12 0.00 0.00 0.00 0.00 57.70 58.41 1kee n MET 55 Cb 0.47 -1.84 0.15 0.00 0.00 0.00 0.00 33.22 32.00 1kee n MET 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1kee n THR 56 N -2.05 0.00 -1.69 3.17 -2.24 -0.94 -4.79 114.28 105.73 1kee n THR 56 Ca -0.01 -0.31 -0.44 0.00 -2.27 0.00 0.00 64.05 61.02 1kee n THR 56 Cb 0.03 1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 1kee n THR 56 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1kee n ASP 57 N 0.34 3.56 -0.33 3.42 10.43 0.69 -4.85 116.55 129.81 1kee n ASP 57 Ca 0.12 1.07 0.18 0.00 2.57 0.00 0.00 54.79 58.73 1kee n ASP 57 Cb 0.48 -1.50 0.41 0.00 1.84 0.00 0.00 41.12 42.35 1kee n ASP 57 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 177.20 177.68 1kee h PRO 58 N 6.38 0.56 0.00 -0.24 0.13 -1.91 -0.29 132.00 136.63 1kee h PRO 58 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1kee h PRO 58 Cb 1.23 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1kee h PRO 58 CO 0.92 0.37 0.00 1.05 -0.23 0.00 0.00 178.00 180.11 1kee h GLU 59 N 0.57 0.00 0.00 0.86 9.09 -1.96 -3.16 114.58 119.99 1kee h GLU 59 Ca 0.60 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.98 1kee h GLU 59 Cb 1.20 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1kee h GLU 59 CO -0.37 0.00 -0.13 0.52 0.05 0.00 0.00 179.01 179.08 1kee h MET 60 N 0.00 0.00 -4.29 1.06 2.86 -1.37 -3.47 114.93 109.72 1kee h MET 60 Ca 0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1kee h MET 60 Cb 0.49 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.03 1kee h MET 60 CO 0.00 0.13 -0.38 0.00 1.06 0.00 0.00 176.91 177.72 1kee s ALA 61 N -3.23 0.82 -0.11 6.32 0.00 -1.20 -4.71 121.76 119.66 1kee s ALA 61 Ca 0.05 -1.51 -0.24 0.00 0.00 0.00 0.00 51.96 50.27 1kee s ALA 61 Cb 0.06 1.27 -0.27 0.00 0.00 0.00 0.00 23.12 24.18 1kee s ALA 61 CO 0.67 -0.71 0.72 -0.44 0.00 0.00 0.00 175.76 176.00 1kee h ASP 62 N 2.34 0.22 -3.46 0.00 3.32 -1.51 -3.44 116.42 113.91 1kee h ASP 62 Ca -0.30 -0.91 -0.61 0.00 0.02 0.00 0.00 57.03 55.23 1kee h ASP 62 Cb 1.25 -0.07 -0.40 0.00 0.22 0.00 0.00 39.33 40.32 1kee h ASP 62 CO 0.43 1.29 -0.74 0.00 -1.72 0.00 0.00 179.24 178.50 1kee s ALA 63 N -2.35 2.07 -0.19 3.45 0.00 -0.74 -4.89 121.76 119.12 1kee s ALA 63 Ca -0.18 -2.48 -0.17 0.00 0.00 0.00 0.00 51.96 49.13 1kee s ALA 63 Cb 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 1kee s ALA 63 CO 0.74 -2.02 0.43 0.99 0.00 0.00 0.00 175.76 175.90 1kee s THR 64 N 0.51 5.18 -0.35 0.00 2.01 -1.26 -1.76 115.64 119.98 1kee s THR 64 Ca 0.17 0.78 -0.03 0.00 0.31 0.00 0.00 61.69 62.91 1kee s THR 64 Cb -0.24 -3.76 0.07 0.00 0.01 0.00 0.00 72.50 68.59 1kee s THR 64 CO -0.02 0.25 0.10 -0.31 -0.69 0.00 0.00 174.62 173.95 1kee s TYR 65 N 1.26 3.38 -1.18 4.92 2.02 0.90 -0.25 117.35 128.41 1kee s TYR 65 Ca 0.21 -1.97 -0.11 0.00 -0.37 0.00 0.00 57.07 54.83 1kee s TYR 65 Cb -0.15 -2.57 0.22 0.00 -0.40 0.00 0.00 41.96 39.06 1kee s TYR 65 CO 0.08 -0.85 1.34 -0.89 -1.57 0.00 0.00 175.55 173.67 1kee n ILE 66 N 4.66 4.42 -4.18 2.71 5.41 -1.25 -0.74 119.36 130.39 1kee n ILE 66 Ca -0.09 -5.01 -0.14 0.00 1.00 0.00 0.00 62.75 58.51 1kee n ILE 66 Cb 0.43 -2.49 -0.11 0.00 -0.71 0.00 0.00 39.64 36.76 1kee n ILE 66 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1kee s GLU 67 N 0.26 0.86 0.12 0.38 0.41 -1.25 -4.60 118.70 114.88 1kee s GLU 67 Ca 0.38 -1.20 -0.35 0.00 -0.41 0.00 0.00 54.97 53.39 1kee s GLU 67 Cb -0.05 -0.51 -0.14 0.00 -1.78 0.00 0.00 34.13 31.65 1kee s GLU 67 CO -0.02 0.07 1.54 -0.35 -0.49 0.00 0.00 175.26 176.01 1kee n PRO 68 N 0.44 1.89 -1.74 0.39 -0.04 -1.26 -3.42 135.00 131.26 1kee n PRO 68 Ca -0.15 0.68 -0.42 0.00 -0.04 0.00 0.00 63.50 63.57 1kee n PRO 68 Cb 0.58 -2.42 -0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1kee n PRO 68 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1kee n ILE 69 N 3.31 3.37 -4.95 0.52 5.41 -1.26 -4.64 119.36 121.12 1kee n ILE 69 Ca 0.18 -2.98 -0.28 0.00 1.00 0.00 0.00 62.75 60.67 1kee n ILE 69 Cb 0.26 -2.57 -0.16 0.00 -0.71 0.00 0.00 39.64 36.45 1kee n ILE 69 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1kee s HIS 70 N 3.40 1.99 0.45 1.39 2.46 -1.26 -5.02 115.29 118.71 1kee s HIS 70 Ca 0.48 -0.68 0.33 0.00 0.47 0.00 0.00 55.06 55.66 1kee s HIS 70 Cb 0.13 -1.35 1.49 0.00 -0.13 0.00 0.00 32.58 32.72 1kee s HIS 70 CO -0.07 -0.26 1.60 0.11 -2.47 0.00 0.00 174.74 173.66 1kee h TRP 71 N 6.49 0.46 -0.36 3.88 5.08 -1.91 0.37 115.95 129.96 1kee h TRP 71 Ca -0.29 0.02 -0.05 0.00 1.08 0.00 0.00 58.89 59.65 1kee h TRP 71 Cb 1.19 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 27.23 1kee h TRP 71 CO 0.45 -0.21 0.02 0.93 -1.28 0.00 0.00 178.44 178.35 1kee h GLU 72 N 0.05 0.63 -0.32 0.12 5.08 -1.95 0.77 114.58 118.95 1kee h GLU 72 Ca 0.85 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.95 1kee h GLU 72 Cb 2.79 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.97 1kee h GLU 72 CO -0.39 0.73 -0.06 0.28 -1.00 0.00 0.00 179.01 178.56 1kee h VAL 73 N 0.45 1.28 -0.63 3.13 2.07 -0.62 -2.50 116.25 119.42 1kee h VAL 73 Ca 0.10 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.60 1kee h VAL 73 Cb 0.43 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1kee h VAL 73 CO 0.02 0.35 0.33 0.58 0.02 0.00 0.00 177.57 178.87 1kee h VAL 74 N 0.38 0.94 -0.12 2.57 2.07 -0.94 0.00 116.25 121.16 1kee h VAL 74 Ca 0.08 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1kee h VAL 74 Cb 0.54 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1kee h VAL 74 CO 0.03 0.11 -0.18 -0.09 0.02 0.00 0.00 177.57 177.46 1kee h ARG 75 N 0.61 -0.23 -0.48 1.57 2.43 -0.76 0.63 114.38 118.15 1kee h ARG 75 Ca 0.29 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.56 1kee h ARG 75 Cb 0.21 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.71 1kee h ARG 75 CO -0.19 -0.15 -0.32 0.87 -1.51 0.00 0.00 179.97 178.66 1kee h LYS 76 N -0.24 -0.20 -0.99 0.20 1.79 -0.70 0.62 116.57 117.06 1kee h LYS 76 Ca 0.09 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.66 1kee h LYS 76 Cb 0.37 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.99 1kee h LYS 76 CO -0.26 -0.13 0.63 0.82 -1.08 0.00 0.00 179.45 179.43 1kee h ILE 77 N -0.21 1.02 -0.38 1.86 2.04 0.05 0.48 117.51 122.37 1kee h ILE 77 Ca 0.20 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 1kee h ILE 77 Cb 0.54 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1kee h ILE 77 CO -0.60 0.20 -0.22 0.40 0.00 0.00 0.00 178.15 177.93 1kee h ILE 78 N 1.09 1.28 -0.48 -0.67 2.04 0.35 0.04 117.51 121.16 1kee h ILE 78 Ca 0.45 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1kee h ILE 78 Cb 0.28 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1kee h ILE 78 CO -0.21 0.45 0.27 -0.08 0.00 0.00 0.00 178.15 178.58 1kee h GLU 79 N 0.63 0.66 -0.01 2.37 4.22 0.13 0.80 114.58 123.38 1kee h GLU 79 Ca 0.08 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 1kee h GLU 79 Cb 0.78 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1kee h GLU 79 CO 0.06 0.51 0.00 -0.22 -2.18 0.00 0.00 179.01 177.19 1kee h LYS 80 N 0.63 0.02 0.00 1.92 3.64 -0.81 -3.33 116.57 118.64 1kee h LYS 80 Ca 0.17 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1kee h LYS 80 Cb 0.04 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1kee h LYS 80 CO -0.03 0.30 -0.96 0.93 -2.27 0.00 0.00 179.45 177.43 1kee h GLU 81 N -0.26 0.00 -6.48 1.90 4.39 -0.92 -3.49 114.58 109.71 1kee h GLU 81 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 1kee h GLU 81 Cb 0.29 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.87 1kee h GLU 81 CO 0.00 0.27 -0.86 0.54 -1.16 0.00 0.00 179.01 177.79 1kee n ARG 82 N -2.96 -3.59 -1.50 2.33 3.00 0.28 -4.89 116.66 109.33 1kee n ARG 82 Ca -0.03 0.43 -0.39 0.00 -0.01 0.00 0.00 57.85 57.85 1kee n ARG 82 Cb 0.73 -4.75 0.03 0.00 0.00 0.00 0.00 32.46 28.47 1kee n ARG 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1kee n PRO 83 N -4.41 0.66 0.13 5.56 -0.04 -1.26 -4.91 135.00 130.73 1kee n PRO 83 Ca -0.23 0.25 -0.22 0.00 -0.04 0.00 0.00 63.50 63.26 1kee n PRO 83 Cb 0.64 -1.76 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 1kee n PRO 83 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1kee h ASP 84 N 0.52 0.76 -5.32 3.54 3.45 -1.32 -3.42 116.42 114.63 1kee h ASP 84 Ca -0.45 -0.79 -0.12 0.00 0.43 0.00 0.00 57.03 56.10 1kee h ASP 84 Cb 1.39 -0.25 -0.12 0.00 -0.56 0.00 0.00 39.33 39.79 1kee h ASP 84 CO 0.49 1.61 -0.34 0.00 -1.57 0.00 0.00 179.24 179.44 1kee s ALA 85 N -2.69 0.17 -0.04 3.45 0.00 -0.78 -1.23 121.76 120.64 1kee s ALA 85 Ca -0.08 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 50.88 1kee s ALA 85 Cb 0.05 0.99 0.00 0.00 0.00 0.00 0.00 23.12 24.16 1kee s ALA 85 CO 0.93 -0.68 -0.15 0.54 0.00 0.00 0.00 175.76 176.41 1kee s VAL 86 N -4.01 1.27 -0.41 0.00 0.11 0.21 0.41 120.40 117.97 1kee s VAL 86 Ca 0.22 -0.61 -0.07 0.00 -2.93 0.00 0.00 61.98 58.59 1kee s VAL 86 Cb 0.03 -1.10 0.09 0.00 -1.53 0.00 0.00 36.38 33.87 1kee s VAL 86 CO 0.04 0.37 0.24 -0.22 -3.33 0.00 0.00 175.10 172.20 1kee s LEU 87 N 0.18 5.16 -0.08 2.54 2.96 0.14 -1.31 118.68 128.27 1kee s LEU 87 Ca -0.06 -1.68 0.18 0.00 -0.22 0.00 0.00 54.13 52.35 1kee s LEU 87 Cb -0.12 -1.93 0.64 0.00 0.50 0.00 0.00 46.19 45.28 1kee s LEU 87 CO 0.02 -0.54 1.55 -0.81 -1.32 0.00 0.00 176.35 175.25 1kee n PRO 88 N 4.81 3.34 -0.47 0.98 -0.04 -1.26 -2.14 135.00 140.22 1kee n PRO 88 Ca -0.08 -2.73 0.09 0.00 -0.04 0.00 0.00 63.50 60.74 1kee n PRO 88 Cb 0.42 -1.73 0.31 0.00 -0.04 0.00 0.00 33.50 32.46 1kee n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1kee n THR 89 N 1.07 1.56 -0.30 0.52 -2.24 -1.26 -3.84 114.28 109.79 1kee n THR 89 Ca 0.23 -1.19 0.03 0.00 -2.27 0.00 0.00 64.05 60.86 1kee n THR 89 Cb 0.77 0.24 0.05 0.00 -2.10 0.00 0.00 70.33 69.28 1kee n THR 89 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1kee n MET 90 N 0.98 2.54 -1.53 -0.78 2.81 -1.26 -2.47 117.12 117.41 1kee n MET 90 Ca 0.23 -1.82 -0.02 0.00 -1.81 0.00 0.00 57.70 54.27 1kee n MET 90 Cb 0.76 -1.15 0.09 0.00 -0.71 0.00 0.00 33.22 32.20 1kee n MET 90 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kee n GLY 91 N -0.71 3.78 7.00 3.03 0.00 -1.21 -4.17 105.19 112.92 1kee n GLY 91 Ca 0.05 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1kee n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 92 N -0.52 1.60 0.10 -0.02 0.00 -1.26 -2.21 105.19 102.87 1kee n GLY 92 Ca 0.19 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 1kee n GLY 92 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1kee h GLN 93 N 0.00 0.15 0.02 1.61 5.75 -1.94 -2.75 115.11 117.94 1kee h GLN 93 Ca 0.00 -0.21 0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1kee h GLN 93 Cb 0.00 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 1kee h GLN 93 CO 0.00 1.04 -0.17 1.15 -2.65 0.00 0.00 178.83 178.20 1kee h THR 94 N 0.06 0.59 -0.59 2.39 2.02 -1.84 0.11 112.91 115.65 1kee h THR 94 Ca -0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.20 1kee h THR 94 Cb 1.72 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.66 1kee h THR 94 CO 0.15 0.00 0.24 0.00 0.37 0.00 0.00 175.52 176.29 1kee h ALA 95 N 0.62 0.76 -0.32 6.16 0.00 -1.48 0.39 119.26 125.38 1kee h ALA 95 Ca 0.05 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1kee h ALA 95 Cb 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1kee h ALA 95 CO -0.15 -0.15 -0.13 -0.07 0.00 0.00 0.00 179.25 178.75 1kee h LEU 96 N 0.45 0.55 -0.15 0.00 3.38 -1.11 -2.19 115.31 116.24 1kee h LEU 96 Ca 0.29 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1kee h LEU 96 Cb 0.31 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1kee h LEU 96 CO -0.26 0.71 -0.39 0.78 0.09 0.00 0.00 178.44 179.37 1kee h ASN 97 N 0.51 0.59 0.38 -0.43 2.35 0.68 -2.90 115.58 116.76 1kee h ASN 97 Ca 0.09 -0.58 -0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1kee h ASN 97 Cb 0.53 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1kee h ASN 97 CO 0.03 1.07 -0.48 0.00 -1.65 0.00 0.00 177.43 176.40 1kee h ALA 99 N -0.65 0.48 0.00 0.00 0.00 -1.49 0.92 119.26 118.53 1kee h ALA 99 Ca -0.04 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1kee h ALA 99 Cb 0.81 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1kee h ALA 99 CO -0.12 -0.44 0.00 -0.07 0.00 0.00 0.00 179.25 178.61 1kee h LEU 100 N -0.01 0.00 0.17 0.00 4.07 -1.24 0.84 115.31 119.14 1kee h LEU 100 Ca 0.40 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 58.11 1kee h LEU 100 Cb 0.63 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.39 1kee h LEU 100 CO -0.90 0.00 -1.15 -0.08 -1.08 0.00 0.00 178.44 175.23 1kee h GLU 101 N 0.00 0.37 -0.61 1.13 4.57 0.22 -1.82 114.58 118.43 1kee h GLU 101 Ca 0.00 -0.62 0.11 0.00 -1.18 0.00 0.00 59.36 57.67 1kee h GLU 101 Cb 0.57 0.23 -0.09 0.00 -0.16 0.00 0.00 28.75 29.31 1kee h GLU 101 CO 0.00 1.30 0.14 -0.07 -1.18 0.00 0.00 179.01 179.20 1kee h LEU 102 N -0.19 0.02 -0.34 1.64 3.38 0.07 0.19 115.31 120.08 1kee h LEU 102 Ca -0.21 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1kee h LEU 102 Cb 1.84 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 1kee h LEU 102 CO 0.17 0.02 0.07 -0.08 0.09 0.00 0.00 178.44 178.71 1kee h GLU 103 N 0.27 0.55 -0.15 1.13 4.57 -0.87 -0.94 114.58 119.14 1kee h GLU 103 Ca 0.32 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 1kee h GLU 103 Cb 0.47 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1kee h GLU 103 CO -0.40 0.62 -0.17 -0.09 -1.18 0.00 0.00 179.01 177.79 1kee h ARG 104 N 0.39 0.25 0.00 1.92 2.43 -0.17 -1.33 114.38 117.87 1kee h ARG 104 Ca 0.10 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1kee h ARG 104 Cb 0.33 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1kee h ARG 104 CO 0.00 0.43 0.00 1.04 -1.51 0.00 0.00 179.97 179.93 1kee n GLN 105 N -4.23 0.34 -1.01 0.20 1.13 0.50 -4.89 117.38 109.42 1kee n GLN 105 Ca -0.01 0.03 -0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1kee n GLN 105 Cb 0.30 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.15 1kee n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kee n GLY 106 N 1.09 0.46 0.33 1.08 0.00 -0.50 -4.94 105.19 102.71 1kee n GLY 106 Ca 0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 1kee n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1kee h VAL 107 N 0.00 1.25 0.00 1.61 2.07 -1.38 -2.13 116.25 117.67 1kee h VAL 107 Ca -0.01 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.60 1kee h VAL 107 Cb 0.04 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1kee h VAL 107 CO 0.01 0.32 -0.51 -0.07 0.02 0.00 0.00 177.57 177.34 1kee h LEU 108 N 1.06 0.00 0.01 2.57 3.38 -1.85 -2.64 115.31 117.84 1kee h LEU 108 Ca 0.24 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.96 1kee h LEU 108 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1kee h LEU 108 CO -0.02 0.51 -1.30 -0.08 0.09 0.00 0.00 178.44 177.65 1kee h GLU 109 N 0.00 0.02 -0.30 1.13 4.81 -1.81 0.43 114.58 118.87 1kee h GLU 109 Ca -0.01 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1kee h GLU 109 Cb 0.91 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1kee h GLU 109 CO 0.07 0.82 -0.24 1.49 -0.73 0.00 0.00 179.01 180.42 1kee h GLU 110 N 0.01 0.57 -0.35 1.92 4.81 -1.23 -3.22 114.58 117.09 1kee h GLU 110 Ca -0.13 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1kee h GLU 110 Cb 1.88 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.23 1kee h GLU 110 CO 0.11 0.77 0.00 1.19 -0.73 0.00 0.00 179.01 180.35 1kee n PHE 111 N -4.12 0.46 -3.67 0.92 3.01 -1.01 -4.99 117.46 108.05 1kee n PHE 111 Ca -0.00 -0.36 -0.21 0.00 1.01 0.00 0.00 57.45 57.89 1kee n PHE 111 Cb 0.41 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 39.91 1kee n PHE 111 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kee n GLY 112 N 0.90 -0.31 3.65 1.37 0.00 -0.85 -4.89 105.19 105.04 1kee n GLY 112 Ca 0.14 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 1kee n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 113 N -3.61 5.19 -0.08 1.61 1.01 0.15 -4.82 120.40 119.84 1kee s VAL 113 Ca 0.04 0.66 -0.15 0.00 0.00 0.00 0.00 61.98 62.53 1kee s VAL 113 Cb -0.02 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1kee s VAL 113 CO 0.80 0.21 0.37 -0.89 0.00 0.00 0.00 175.10 175.59 1kee s THR 114 N 1.62 5.18 -0.32 3.92 2.01 -0.36 -4.72 115.64 122.96 1kee s THR 114 Ca 0.17 0.73 -0.25 0.00 0.31 0.00 0.00 61.69 62.66 1kee s THR 114 Cb -0.15 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1kee s THR 114 CO 0.08 0.47 0.86 -0.32 -0.69 0.00 0.00 174.62 175.03 1kee s MET 115 N -0.28 3.95 0.35 4.92 1.75 -1.26 0.64 119.30 129.37 1kee s MET 115 Ca 0.21 0.66 0.08 0.00 -1.25 0.00 0.00 55.69 55.40 1kee s MET 115 Cb -0.15 -3.75 -0.05 0.00 2.84 0.00 0.00 34.83 33.73 1kee s MET 115 CO 0.09 -0.77 0.13 0.96 -0.65 0.00 0.00 175.02 174.78 1kee s ILE 116 N 3.17 2.81 0.00 10.11 -4.36 -0.43 -4.64 121.20 127.86 1kee s ILE 116 Ca 0.36 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 1kee s ILE 116 Cb -0.13 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.63 1kee s ILE 116 CO 0.14 -0.15 0.00 0.61 0.24 0.00 0.00 174.94 175.78 1kee n GLY 117 N -1.13 2.28 3.55 6.27 0.00 -1.26 -4.28 105.19 110.61 1kee n GLY 117 Ca -0.03 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 1kee n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 118 N 0.00 -1.60 0.60 4.61 0.00 -1.26 -4.14 121.76 119.97 1kee s ALA 118 Ca 0.00 1.85 -0.15 0.00 0.00 0.00 0.00 51.96 53.66 1kee s ALA 118 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1kee s ALA 118 CO 0.00 -0.31 1.06 0.95 0.00 0.00 0.00 175.76 177.46 1kee s THR 119 N 0.46 3.80 0.43 0.00 -4.23 -1.26 -4.89 115.64 109.95 1kee s THR 119 Ca -0.01 0.83 0.14 0.00 -1.18 0.00 0.00 61.69 61.46 1kee s THR 119 Cb -0.05 -3.37 0.32 0.00 1.34 0.00 0.00 72.50 70.75 1kee s THR 119 CO -0.01 -0.52 1.99 0.00 -0.54 0.00 0.00 174.62 175.53 1kee h ALA 120 N 0.33 2.00 0.07 3.99 0.00 -1.99 -1.04 119.26 122.62 1kee h ALA 120 Ca -0.47 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 1kee h ALA 120 Cb 1.22 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1kee h ALA 120 CO 0.57 -0.12 -1.10 0.22 0.00 0.00 0.00 179.25 178.82 1kee h ASP 121 N 0.41 0.57 -0.37 0.00 1.82 -1.96 -2.15 116.42 114.73 1kee h ASP 121 Ca 0.27 -0.52 -0.08 0.00 -0.39 0.00 0.00 57.03 56.31 1kee h ASP 121 Cb 0.50 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 1kee h ASP 121 CO -0.07 1.35 -0.03 0.00 -1.61 0.00 0.00 179.24 178.88 1kee h ALA 122 N 0.60 1.09 -0.40 -0.78 0.00 -1.55 0.22 119.26 118.43 1kee h ALA 122 Ca -0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1kee h ALA 122 Cb 1.77 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1kee h ALA 122 CO 0.19 0.57 0.08 0.82 0.00 0.00 0.00 179.25 180.92 1kee h ILE 123 N 0.72 1.23 -0.03 0.00 2.04 -1.20 -2.67 117.51 117.61 1kee h ILE 123 Ca 0.14 -0.83 -0.14 0.00 1.00 0.00 0.00 64.86 65.03 1kee h ILE 123 Cb 0.48 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1kee h ILE 123 CO 0.02 0.29 -0.62 -0.78 0.00 0.00 0.00 178.15 177.06 1kee h ASP 124 N 0.52 0.12 0.54 1.72 1.82 -1.15 -0.67 116.42 119.32 1kee h ASP 124 Ca 0.13 -0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 1kee h ASP 124 Cb 0.34 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1kee h ASP 124 CO 0.00 0.71 -0.19 0.50 -1.61 0.00 0.00 179.24 178.65 1kee h LYS 125 N 0.08 0.00 0.06 0.28 3.64 -0.31 -1.06 116.57 119.25 1kee h LYS 125 Ca -0.01 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.01 1kee h LYS 125 Cb 1.11 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 1kee h LYS 125 CO 0.09 0.19 -2.14 0.00 -2.27 0.00 0.00 179.45 175.32 1kee n ALA 126 N -2.29 1.19 0.14 5.00 0.00 -1.03 -2.58 120.51 120.95 1kee n ALA 126 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1kee n ALA 126 Cb 0.32 -0.49 0.19 0.00 0.00 0.00 0.00 19.45 19.47 1kee n ALA 126 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1kee h GLU 127 N 0.03 0.00 -5.44 0.00 4.39 -1.06 -3.40 114.58 109.11 1kee h GLU 127 Ca -0.46 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 58.61 1kee h GLU 127 Cb 2.01 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 30.52 1kee h GLU 127 CO 0.03 0.58 0.57 0.34 -1.16 0.00 0.00 179.01 179.37 1kee s ASP 128 N -6.72 6.20 0.44 1.42 -1.08 -0.41 -1.50 116.67 115.02 1kee s ASP 128 Ca -0.01 -1.04 0.28 0.00 -0.52 0.00 0.00 52.55 51.26 1kee s ASP 128 Cb 0.12 -2.42 1.36 0.00 -1.46 0.00 0.00 42.92 40.52 1kee s ASP 128 CO 0.75 -1.43 1.68 0.03 0.52 0.00 0.00 175.17 176.71 1kee h ARG 129 N 9.54 0.16 -0.16 4.34 2.47 -1.88 -0.09 114.38 128.75 1kee h ARG 129 Ca -0.26 -0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.27 1kee h ARG 129 Cb 1.07 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 29.36 1kee h ARG 129 CO 1.18 0.10 -0.61 -0.09 0.56 0.00 0.00 179.97 181.12 1kee h ARG 130 N 0.16 0.70 -0.33 0.04 2.43 -1.92 -1.94 114.38 113.53 1kee h ARG 130 Ca 0.74 -0.54 -0.14 0.00 -0.81 0.00 0.00 59.98 59.23 1kee h ARG 130 Cb 2.30 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.94 1kee h ARG 130 CO -0.33 1.15 -0.38 0.00 -1.51 0.00 0.00 179.97 178.90 1kee h ARG 131 N 0.40 0.77 -0.40 0.20 3.08 -1.35 -2.61 114.38 114.46 1kee h ARG 131 Ca -0.03 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 1kee h ARG 131 Cb 1.24 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1kee h ARG 131 CO 0.13 1.02 0.22 0.35 -1.07 0.00 0.00 179.97 180.62 1kee h PHE 132 N 0.63 0.55 -0.30 3.04 3.57 -0.91 -1.91 116.94 121.62 1kee h PHE 132 Ca 0.06 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1kee h PHE 132 Cb 0.93 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1kee h PHE 132 CO 0.05 0.42 0.16 0.22 -2.23 0.00 0.00 178.31 176.93 1kee h ASP 133 N 0.52 0.35 -0.05 0.41 1.82 -1.24 -2.27 116.42 115.96 1kee h ASP 133 Ca 0.14 -0.02 -0.22 0.00 -0.39 0.00 0.00 57.03 56.54 1kee h ASP 133 Cb 0.05 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 39.98 1kee h ASP 133 CO -0.02 0.29 -0.81 0.58 -1.61 0.00 0.00 179.24 177.66 1kee h VAL 134 N 0.41 1.30 -0.70 2.25 2.07 -1.05 -2.80 116.25 117.72 1kee h VAL 134 Ca 0.11 -2.05 -0.06 0.00 0.82 0.00 0.00 66.70 65.52 1kee h VAL 134 Cb 0.01 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1kee h VAL 134 CO -0.02 0.64 0.21 0.00 0.02 0.00 0.00 177.57 178.42 1kee h ALA 135 N 0.60 1.04 -0.39 1.67 0.00 -0.98 0.68 119.26 121.88 1kee h ALA 135 Ca -0.06 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1kee h ALA 135 Cb 1.44 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1kee h ALA 135 CO 0.16 0.64 0.14 0.52 0.00 0.00 0.00 179.25 180.71 1kee h MET 136 N 1.04 0.29 -0.69 0.00 2.07 -1.42 -0.28 114.93 115.94 1kee h MET 136 Ca 0.23 -0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.82 1kee h MET 136 Cb 0.31 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 29.94 1kee h MET 136 CO -0.01 0.19 0.36 -0.22 1.07 0.00 0.00 176.91 178.30 1kee h LYS 137 N 0.29 0.97 -0.66 1.72 3.64 -1.20 0.17 116.57 121.51 1kee h LYS 137 Ca 0.18 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1kee h LYS 137 Cb 0.16 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1kee h LYS 137 CO -0.18 0.75 0.43 -0.22 -2.27 0.00 0.00 179.45 177.96 1kee h LYS 138 N 0.95 0.84 -0.64 1.90 3.64 0.76 -2.21 116.57 121.81 1kee h LYS 138 Ca 0.24 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1kee h LYS 138 Cb 0.07 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1kee h LYS 138 CO -0.04 0.55 0.00 0.44 -2.27 0.00 0.00 179.45 178.14 1kee n ILE 139 N -4.44 1.60 -1.80 2.00 -5.35 -0.40 -4.93 119.36 106.04 1kee n ILE 139 Ca 0.07 -1.00 -0.10 0.00 -0.27 0.00 0.00 62.75 61.45 1kee n ILE 139 Cb 0.06 0.03 -0.02 0.00 -1.74 0.00 0.00 39.64 37.97 1kee n ILE 139 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kee n GLY 140 N 0.97 0.48 3.87 3.28 0.00 -0.77 -5.02 105.19 107.99 1kee n GLY 140 Ca 0.22 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1kee n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kee s LEU 141 N -2.61 4.26 0.18 0.99 1.43 0.53 -5.01 118.68 118.44 1kee s LEU 141 Ca 0.00 0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.22 1kee s LEU 141 Cb 0.00 -2.40 -0.08 0.00 0.03 0.00 0.00 46.19 43.74 1kee s LEU 141 CO 0.00 0.30 0.70 -0.70 0.23 0.00 0.00 176.35 176.88 1kee s GLU 142 N -1.67 4.29 0.25 1.70 2.12 -1.26 -4.02 118.70 120.12 1kee s GLU 142 Ca 0.23 0.89 0.04 0.00 0.36 0.00 0.00 54.97 56.49 1kee s GLU 142 Cb -0.12 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 1kee s GLU 142 CO 0.14 0.47 -0.01 0.95 -0.54 0.00 0.00 175.26 176.27 1kee s THR 143 N -1.38 1.19 0.51 -1.70 -4.23 -1.26 -0.37 115.64 108.40 1kee s THR 143 Ca 0.39 -2.05 -0.19 0.00 -1.18 0.00 0.00 61.69 58.66 1kee s THR 143 Cb -0.18 -2.39 -0.08 0.00 1.34 0.00 0.00 72.50 71.19 1kee s THR 143 CO 0.22 -0.30 1.03 0.00 -0.54 0.00 0.00 174.62 175.02 1kee s ALA 144 N -3.31 2.88 0.18 3.99 0.00 -1.26 -4.97 121.76 119.26 1kee s ALA 144 Ca 0.29 0.49 -0.32 0.00 0.00 0.00 0.00 51.96 52.41 1kee s ALA 144 Cb 0.05 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 19.83 1kee s ALA 144 CO 0.10 -0.37 1.71 0.54 0.00 0.00 0.00 175.76 177.74 1kee n ARG 145 N -1.25 2.63 -3.98 0.00 1.74 -1.26 -4.86 116.66 109.68 1kee n ARG 145 Ca 0.09 0.95 -0.12 0.00 -0.77 0.00 0.00 57.85 58.00 1kee n ARG 145 Cb 0.53 -2.79 -0.02 0.00 -1.02 0.00 0.00 32.46 29.16 1kee n ARG 145 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1kee s SER 146 N 1.42 0.52 -0.05 0.55 1.04 -1.26 -0.70 113.70 115.21 1kee s SER 146 Ca 0.77 -1.32 -0.11 0.00 0.48 0.00 0.00 55.95 55.77 1kee s SER 146 Cb -0.54 0.73 0.02 0.00 0.10 0.00 0.00 66.02 66.33 1kee s SER 146 CO 0.35 -1.43 0.27 -0.83 0.98 0.00 0.00 173.24 172.57 1kee s GLY 147 N -3.16 -0.15 0.19 7.32 0.00 -0.31 -4.99 107.32 106.22 1kee s GLY 147 Ca 0.24 0.47 -0.08 0.00 0.00 0.00 0.00 44.72 45.35 1kee s GLY 147 CO 0.16 0.32 0.49 -0.42 0.00 0.00 0.00 173.10 173.65 1kee s ILE 148 N -0.66 5.01 -0.06 0.90 -1.09 -1.26 -1.32 121.20 122.72 1kee s ILE 148 Ca -0.08 0.36 -0.04 0.00 -2.23 0.00 0.00 60.65 58.66 1kee s ILE 148 Cb -0.04 -3.63 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1kee s ILE 148 CO 0.02 0.01 0.14 0.00 -1.23 0.00 0.00 174.94 173.88 1kee s ALA 149 N -1.72 -0.33 0.00 9.38 0.00 -0.70 -4.78 121.76 123.60 1kee s ALA 149 Ca 0.44 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1kee s ALA 149 Cb -0.12 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1kee s ALA 149 CO 0.22 -0.09 0.00 0.72 0.00 0.00 0.00 175.76 176.61 1kee n HIS 150 N 3.28 0.00 -4.13 0.00 8.25 -1.26 -0.04 115.22 121.33 1kee n HIS 150 Ca -0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.22 1kee n HIS 150 Cb 0.57 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.58 1kee n HIS 150 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1kee s THR 151 N -0.96 0.44 0.37 1.59 -4.23 -1.26 -4.91 115.64 106.67 1kee s THR 151 Ca 0.00 -1.86 0.10 0.00 -1.18 0.00 0.00 61.69 58.75 1kee s THR 151 Cb 0.00 -1.58 0.12 0.00 1.34 0.00 0.00 72.50 72.38 1kee s THR 151 CO 0.00 -0.94 1.86 -0.03 -0.54 0.00 0.00 174.62 174.97 1kee h MET 152 N 3.08 0.17 -0.34 3.99 4.05 -1.97 -0.50 114.93 123.41 1kee h MET 152 Ca -0.35 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 58.94 1kee h MET 152 Cb 1.15 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.92 1kee h MET 152 CO 0.65 0.41 -0.10 1.49 0.23 0.00 0.00 176.91 179.60 1kee h GLU 153 N 0.16 0.67 -0.57 0.39 4.81 -1.99 -1.00 114.58 117.06 1kee h GLU 153 Ca 0.03 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 1kee h GLU 153 Cb 0.52 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1kee h GLU 153 CO 0.04 0.85 0.07 0.93 -0.73 0.00 0.00 179.01 180.16 1kee h GLU 154 N 0.46 0.92 0.52 1.92 5.08 -1.85 -2.78 114.58 118.86 1kee h GLU 154 Ca 0.09 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1kee h GLU 154 Cb 0.60 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1kee h GLU 154 CO 0.04 0.87 -0.25 0.00 -1.00 0.00 0.00 179.01 178.67 1kee h ALA 155 N 1.20 -0.70 -0.81 3.43 0.00 -0.91 -2.54 119.26 118.93 1kee h ALA 155 Ca 0.17 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.14 1kee h ALA 155 Cb 0.42 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1kee h ALA 155 CO 0.01 -0.83 0.60 -0.07 0.00 0.00 0.00 179.25 178.96 1kee h LEU 156 N -0.82 0.00 -0.06 0.00 3.38 -1.14 0.11 115.31 116.78 1kee h LEU 156 Ca -0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1kee h LEU 156 Cb 0.59 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1kee h LEU 156 CO 0.12 0.00 -0.60 0.00 0.09 0.00 0.00 178.44 178.04 1kee h ALA 157 N 1.56 0.16 0.30 1.53 0.00 -1.21 -2.12 119.26 119.48 1kee h ALA 157 Ca 0.38 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1kee h ALA 157 Cb 1.58 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1kee h ALA 157 CO -0.00 0.42 -0.27 0.28 0.00 0.00 0.00 179.25 179.67 1kee h VAL 158 N 0.10 0.42 -0.53 0.00 2.07 -0.45 -1.38 116.25 116.47 1kee h VAL 158 Ca -0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.58 1kee h VAL 158 Cb 1.27 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1kee h VAL 158 CO 0.12 0.00 0.37 0.00 0.02 0.00 0.00 177.57 178.08 1kee h ALA 159 N 0.00 2.23 0.00 1.67 0.00 -1.16 0.50 119.26 122.50 1kee h ALA 159 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1kee h ALA 159 Cb 0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1kee h ALA 159 CO -0.04 -0.36 -0.22 0.00 0.00 0.00 0.00 179.25 178.62 1kee h ALA 160 N 1.74 1.14 0.11 0.00 0.00 -0.60 -1.10 119.26 120.55 1kee h ALA 160 Ca 0.25 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1kee h ALA 160 Cb 0.72 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1kee h ALA 160 CO -0.04 0.28 -1.00 0.22 0.00 0.00 0.00 179.25 178.70 1kee h ASP 161 N 0.00 0.36 0.04 0.00 -0.00 0.98 -3.38 116.42 114.42 1kee h ASP 161 Ca -0.00 -0.89 0.00 0.00 -0.00 0.00 0.00 57.03 56.14 1kee h ASP 161 Cb 0.61 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.82 1kee h ASP 161 CO 0.03 1.45 -0.34 1.33 -0.00 0.00 0.00 179.24 181.71 1kee n VAL 162 N -4.11 0.00 -1.35 2.25 0.24 -0.57 -5.09 118.33 109.70 1kee n VAL 162 Ca -0.19 -0.26 0.18 0.00 -2.04 0.00 0.00 64.34 62.03 1kee n VAL 162 Cb 0.81 1.05 -0.05 0.00 -1.47 0.00 0.00 33.84 34.18 1kee n VAL 162 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kee n GLY 163 N 1.38 -1.91 3.86 7.63 0.00 -0.42 -4.69 105.19 111.04 1kee n GLY 163 Ca 0.11 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 1kee n GLY 163 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kee s PHE 164 N -2.44 3.61 0.72 1.61 2.99 -1.26 -3.66 117.98 119.55 1kee s PHE 164 Ca 0.00 0.62 -0.07 0.00 0.00 0.00 0.00 56.93 57.48 1kee s PHE 164 Cb 0.00 -2.03 0.08 0.00 0.00 0.00 0.00 43.02 41.06 1kee s PHE 164 CO 0.00 0.68 1.03 -1.25 -0.00 0.00 0.00 175.22 175.68 1kee s PRO 165 N -0.93 2.04 0.10 0.24 0.04 -1.26 -5.05 135.00 130.18 1kee s PRO 165 Ca 0.17 -0.36 -0.04 0.00 0.04 0.00 0.00 61.00 60.81 1kee s PRO 165 Cb -0.13 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1kee s PRO 165 CO 0.06 -1.33 0.09 0.00 0.04 0.00 0.00 177.00 175.86 1kee s ILE 167 N -3.96 3.84 -0.18 0.00 1.09 -0.01 -1.68 121.20 120.29 1kee s ILE 167 Ca 0.14 -0.39 -0.03 0.00 -1.10 0.00 0.00 60.65 59.27 1kee s ILE 167 Cb 0.07 -2.65 -0.02 0.00 -1.06 0.00 0.00 42.46 38.80 1kee s ILE 167 CO -0.04 0.53 -0.05 -0.63 -0.10 0.00 0.00 174.94 174.65 1kee s ILE 168 N -0.04 3.57 -0.23 2.92 1.01 -0.84 0.24 121.20 127.83 1kee s ILE 168 Ca 0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 1kee s ILE 168 Cb -0.13 -2.59 0.07 0.00 0.01 0.00 0.00 42.46 39.82 1kee s ILE 168 CO 0.03 0.46 0.05 -0.13 0.00 0.00 0.00 174.94 175.35 1kee s ARG 169 N 0.90 0.64 0.51 2.79 0.52 0.75 -2.68 118.95 122.38 1kee s ARG 169 Ca -0.01 -0.58 -0.21 0.00 -0.52 0.00 0.00 55.73 54.41 1kee s ARG 169 Cb -0.15 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.25 1kee s ARG 169 CO 0.01 -0.75 1.19 -2.14 0.02 0.00 0.00 175.30 173.63 1kee s PRO 170 N 1.82 3.47 0.36 3.54 0.02 -1.26 -1.92 135.00 141.03 1kee s PRO 170 Ca 0.02 1.80 -0.26 0.00 0.02 0.00 0.00 61.00 62.58 1kee s PRO 170 Cb -0.17 -2.22 -0.09 0.00 0.02 0.00 0.00 34.50 32.04 1kee s PRO 170 CO -0.14 -0.80 1.05 -1.12 -0.33 0.00 0.00 177.00 175.66 1kee s SER 171 N -1.44 6.95 -1.18 2.53 0.01 0.47 -3.81 113.70 117.24 1kee s SER 171 Ca 0.69 2.07 -0.04 0.00 1.31 0.00 0.00 55.95 59.98 1kee s SER 171 Cb -0.29 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.35 1kee s SER 171 CO 0.34 -0.35 1.01 0.49 0.41 0.00 0.00 173.24 175.13 1kee n PHE 172 N 0.33 -2.34 -3.80 2.43 3.01 -0.56 -4.16 117.46 112.37 1kee n PHE 172 Ca 0.03 0.90 -0.10 0.00 1.01 0.00 0.00 57.45 59.29 1kee n PHE 172 Cb 0.48 -4.78 -0.07 0.00 -0.01 0.00 0.00 39.48 35.11 1kee n PHE 172 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1kee s THR 173 N -3.31 0.12 0.29 4.37 -4.23 -1.25 -4.31 115.64 107.32 1kee s THR 173 Ca 0.27 -0.96 -0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1kee s THR 173 Cb -0.12 -1.18 -0.00 0.00 1.34 0.00 0.00 72.50 72.54 1kee s THR 173 CO 0.67 -0.53 0.47 0.00 -0.54 0.00 0.00 174.62 174.69 1kee s MET 174 N -3.45 1.71 -0.14 3.99 0.23 -1.26 -4.87 119.30 115.51 1kee s MET 174 Ca 0.02 -1.48 0.00 0.00 -1.03 0.00 0.00 55.69 53.20 1kee s MET 174 Cb 0.03 0.46 0.00 0.00 -1.53 0.00 0.00 34.83 33.78 1kee s MET 174 CO -0.09 -0.71 0.00 0.41 -2.03 0.00 0.00 175.02 172.60 1kee n GLY 175 N -0.45 0.35 2.34 3.16 0.00 -1.26 -1.78 105.19 107.55 1kee n GLY 175 Ca -0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1kee n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 176 N -0.94 0.85 3.63 -0.02 0.00 -1.26 -0.12 105.19 107.33 1kee n GLY 176 Ca -0.01 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1kee n GLY 176 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kee s SER 177 N -2.70 6.01 0.00 1.61 0.01 -0.73 -2.12 113.70 115.77 1kee s SER 177 Ca 0.00 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.41 1kee s SER 177 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1kee s SER 177 CO 0.00 -1.48 0.00 0.61 0.41 0.00 0.00 173.24 172.78 1kee n GLY 178 N 5.09 0.77 0.00 3.44 0.00 -1.26 -4.64 105.19 108.59 1kee n GLY 178 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1kee n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 179 N -2.00 6.40 0.00 -0.02 0.00 -0.90 -2.45 105.19 106.21 1kee n GLY 179 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1kee n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 180 N 5.00 -1.31 3.44 -0.02 0.00 -1.09 -4.58 105.19 106.63 1kee n GLY 180 Ca 0.00 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 1kee n GLY 180 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kee s ILE 181 N -1.73 4.28 -0.37 -0.61 1.01 -1.26 -1.99 121.20 120.52 1kee s ILE 181 Ca 0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 60.65 60.25 1kee s ILE 181 Cb 0.00 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1kee s ILE 181 CO 0.00 0.32 0.59 0.00 0.00 0.00 0.00 174.94 175.85 1kee s ALA 182 N 1.61 3.44 -0.37 9.38 0.00 -0.68 -4.90 121.76 130.25 1kee s ALA 182 Ca 0.06 -0.99 0.23 0.00 0.00 0.00 0.00 51.96 51.26 1kee s ALA 182 Cb -0.15 -3.14 0.07 0.00 0.00 0.00 0.00 23.12 19.90 1kee s ALA 182 CO 0.03 -1.39 1.08 0.66 0.00 0.00 0.00 175.76 176.15 1kee n TYR 183 N 5.97 0.75 -3.98 0.00 4.01 -1.26 -2.25 117.16 120.40 1kee n TYR 183 Ca -0.03 0.22 -0.11 0.00 -0.16 0.00 0.00 57.90 57.82 1kee n TYR 183 Cb 0.48 -0.81 -0.03 0.00 -0.31 0.00 0.00 39.34 38.68 1kee n TYR 183 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1kee s ASN 184 N -4.89 0.32 0.28 7.72 2.20 -1.26 -4.69 114.94 114.62 1kee s ASN 184 Ca 0.01 -1.18 0.08 0.00 -0.94 0.00 0.00 52.86 50.83 1kee s ASN 184 Cb 0.11 0.69 0.39 0.00 -2.00 0.00 0.00 41.25 40.44 1kee s ASN 184 CO 0.78 -1.34 1.64 -0.09 -2.94 0.00 0.00 177.10 175.15 1kee h ARG 185 N 2.12 0.11 0.51 3.55 2.43 -1.98 -1.03 114.38 120.09 1kee h ARG 185 Ca -0.28 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 58.80 1kee h ARG 185 Cb 1.25 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1kee h ARG 185 CO 0.37 0.63 -0.34 1.49 -1.51 0.00 0.00 179.97 180.61 1kee h GLU 186 N 0.09 -0.79 -0.68 0.20 4.81 -2.00 -1.19 114.58 115.02 1kee h GLU 186 Ca -0.00 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1kee h GLU 186 Cb 0.99 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 1kee h GLU 186 CO 0.08 -0.53 0.40 0.93 -0.73 0.00 0.00 179.01 179.16 1kee h GLU 187 N -0.82 0.73 -0.15 1.92 5.08 -1.97 -2.92 114.58 116.44 1kee h GLU 187 Ca -0.06 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1kee h GLU 187 Cb 0.68 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1kee h GLU 187 CO 0.04 0.48 -0.07 0.35 -1.00 0.00 0.00 179.01 178.80 1kee h PHE 188 N 0.75 -0.17 -0.35 4.33 3.04 -1.03 -2.04 116.94 121.46 1kee h PHE 188 Ca 0.29 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.22 1kee h PHE 188 Cb 0.12 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 1kee h PHE 188 CO -0.06 -0.12 0.05 0.93 -2.02 0.00 0.00 178.31 177.09 1kee h GLU 189 N -0.06 0.53 0.22 1.11 5.08 -1.04 0.77 114.58 121.19 1kee h GLU 189 Ca 0.08 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1kee h GLU 189 Cb 0.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1kee h GLU 189 CO -0.19 0.52 -0.11 1.49 -1.00 0.00 0.00 179.01 179.72 1kee h GLU 190 N 0.51 -0.29 0.14 2.33 4.81 -1.33 -2.76 114.58 118.00 1kee h GLU 190 Ca 0.12 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1kee h GLU 190 Cb 0.26 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1kee h GLU 190 CO 0.00 0.06 -0.07 0.82 -0.73 0.00 0.00 179.01 179.09 1kee h ILE 191 N -0.68 0.91 -0.51 2.32 2.04 -1.36 -0.79 117.51 119.44 1kee h ILE 191 Ca -0.03 -0.19 0.09 0.00 1.00 0.00 0.00 64.86 65.73 1kee h ILE 191 Cb 0.48 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 1kee h ILE 191 CO 0.05 0.05 0.06 0.00 0.00 0.00 0.00 178.15 178.30 1kee h ALA 193 N 1.42 0.64 0.06 0.00 0.00 -1.45 -0.34 119.26 119.59 1kee h ALA 193 Ca 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kee h ALA 193 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1kee h ALA 193 CO -0.37 0.45 -0.03 -0.09 0.00 0.00 0.00 179.25 179.20 1kee h ARG 194 N 0.70 -0.08 -0.79 0.00 2.43 -0.50 -2.99 114.38 113.15 1kee h ARG 194 Ca 0.13 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1kee h ARG 194 Cb 0.51 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 1kee h ARG 194 CO 0.03 -0.02 0.51 0.78 -1.51 0.00 0.00 179.97 179.76 1kee h GLY 195 N -0.11 1.05 1.20 2.80 0.00 0.55 -2.69 103.07 105.87 1kee h GLY 195 Ca -0.01 -0.31 -0.20 0.00 0.00 0.00 0.00 47.33 46.80 1kee h GLY 195 CO 0.01 0.20 -0.67 1.41 0.00 0.00 0.00 176.54 177.49 1kee h LEU 196 N 0.77 0.93 -0.41 3.11 3.38 -0.96 -1.98 115.31 120.15 1kee h LEU 196 Ca 0.35 -0.56 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 1kee h LEU 196 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1kee h LEU 196 CO -0.13 1.35 -0.76 -0.78 0.09 0.00 0.00 178.44 178.21 1kee h ASP 197 N 0.58 0.34 -0.11 -0.43 3.58 -1.43 -3.29 116.42 115.66 1kee h ASP 197 Ca -0.02 -0.24 -0.14 0.00 0.42 0.00 0.00 57.03 57.05 1kee h ASP 197 Cb 1.29 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 42.24 1kee h ASP 197 CO 0.14 0.98 -0.46 0.25 -2.88 0.00 0.00 179.24 177.27 1kee h LEU 198 N 0.18 0.60 -9.34 2.28 5.85 -1.53 -3.44 115.31 109.91 1kee h LEU 198 Ca -0.03 -0.63 -0.58 0.00 0.84 0.00 0.00 57.88 57.48 1kee h LEU 198 Cb 1.34 -0.18 0.02 0.00 0.37 0.00 0.00 40.66 42.22 1kee h LEU 198 CO 0.12 1.13 1.13 -0.24 -0.34 0.00 0.00 178.44 180.24 1kee n SER 199 N -4.26 3.71 0.29 1.25 2.88 -0.74 -4.82 113.62 111.92 1kee n SER 199 Ca -0.08 0.96 0.17 0.00 -1.33 0.00 0.00 58.87 58.59 1kee n SER 199 Cb 0.58 -1.44 0.95 0.00 -0.75 0.00 0.00 64.21 63.55 1kee n SER 199 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1kee h PRO 200 N 9.38 0.00 -0.41 -1.46 0.11 -1.75 -0.03 132.00 137.84 1kee h PRO 200 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1kee h PRO 200 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1kee h PRO 200 CO 0.94 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.98 1kee n THR 201 N -3.67 1.44 -4.06 -1.15 -2.24 -1.26 -5.00 114.28 98.34 1kee n THR 201 Ca -0.02 -1.23 -0.36 0.00 -2.27 0.00 0.00 64.05 60.17 1kee n THR 201 Cb 0.14 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 1kee n THR 201 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1kee n LYS 202 N 0.49 -1.17 -3.76 -0.78 4.81 -0.03 -4.96 118.16 112.76 1kee n LYS 202 Ca 0.17 0.20 -0.13 0.00 -0.87 0.00 0.00 58.31 57.69 1kee n LYS 202 Cb 0.63 -3.45 -0.11 0.00 0.02 0.00 0.00 35.03 32.12 1kee n LYS 202 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1kee s GLU 203 N -7.03 0.37 0.40 1.64 2.12 -1.26 -4.60 118.70 110.35 1kee s GLU 203 Ca 0.26 0.45 0.08 0.00 0.36 0.00 0.00 54.97 56.12 1kee s GLU 203 Cb -0.13 0.18 -0.07 0.00 0.26 0.00 0.00 34.13 34.37 1kee s GLU 203 CO 0.95 -0.05 0.06 -0.51 -0.54 0.00 0.00 175.26 175.17 1kee s LEU 204 N 0.20 2.96 -0.18 2.70 1.43 0.95 -0.39 118.68 126.35 1kee s LEU 204 Ca -0.00 -1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 51.85 1kee s LEU 204 Cb -0.02 -1.15 0.08 0.00 0.03 0.00 0.00 46.19 45.13 1kee s LEU 204 CO 0.00 -0.44 0.19 -0.22 0.23 0.00 0.00 176.35 176.11 1kee s LEU 205 N -3.77 -0.01 -0.28 1.79 2.96 -0.81 -1.72 118.68 116.84 1kee s LEU 205 Ca 0.37 -0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.99 1kee s LEU 205 Cb 0.06 0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.97 1kee s LEU 205 CO 0.20 -0.32 0.11 -0.63 -1.32 0.00 0.00 176.35 174.39 1kee s ILE 206 N 2.28 4.43 0.25 6.68 1.09 -0.44 -0.18 121.20 135.32 1kee s ILE 206 Ca 0.05 -0.31 0.11 0.00 -1.10 0.00 0.00 60.65 59.41 1kee s ILE 206 Cb -0.15 -3.17 -0.05 0.00 -1.06 0.00 0.00 42.46 38.03 1kee s ILE 206 CO -0.10 0.20 -0.16 -1.81 -0.10 0.00 0.00 174.94 172.97 1kee s ASP 207 N 1.61 3.83 0.61 3.58 -0.00 0.14 -1.16 116.67 125.27 1kee s ASP 207 Ca 0.05 -0.88 -0.16 0.00 -0.00 0.00 0.00 52.55 51.56 1kee s ASP 207 Cb -0.16 -0.45 -0.03 0.00 -0.00 0.00 0.00 42.92 42.29 1kee s ASP 207 CO 0.05 0.05 1.10 -1.83 -0.00 0.00 0.00 175.17 174.54 1kee s GLU 208 N -3.34 3.09 0.16 8.23 -1.05 0.12 -0.83 118.70 125.09 1kee s GLU 208 Ca 0.28 1.38 -0.30 0.00 -0.15 0.00 0.00 54.97 56.18 1kee s GLU 208 Cb -0.06 -1.99 -0.08 0.00 -0.44 0.00 0.00 34.13 31.56 1kee s GLU 208 CO 0.15 -1.02 1.31 0.45 0.95 0.00 0.00 175.26 177.10 1kee s SER 209 N -2.45 6.92 -0.08 0.83 0.15 -1.24 -4.71 113.70 113.11 1kee s SER 209 Ca 0.67 2.33 0.12 0.00 0.70 0.00 0.00 55.95 59.77 1kee s SER 209 Cb -0.20 -2.60 0.18 0.00 -1.71 0.00 0.00 66.02 61.69 1kee s SER 209 CO 0.36 -0.54 1.07 0.18 1.20 0.00 0.00 173.24 175.52 1kee n LEU 210 N 3.07 1.62 -4.65 3.45 4.77 -1.26 -5.06 117.00 118.93 1kee n LEU 210 Ca 0.08 -2.34 -0.47 0.00 -0.03 0.00 0.00 56.01 53.25 1kee n LEU 210 Cb 0.43 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1kee n LEU 210 CO 0.58 0.55 1.15 -0.38 -1.33 0.00 0.00 177.39 177.95 1kee n ILE 211 N -0.93 0.02 0.00 -0.08 5.41 -1.26 -1.70 119.36 120.83 1kee n ILE 211 Ca 0.10 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1kee n ILE 211 Cb 0.62 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 1kee n ILE 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1kee n GLY 212 N 3.28 1.57 3.89 7.39 0.00 -0.92 -4.96 105.19 115.44 1kee n GLY 212 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1kee n GLY 212 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1kee s TRP 213 N -2.38 3.45 0.58 1.61 0.52 -0.69 -4.77 118.94 117.25 1kee s TRP 213 Ca 0.00 1.02 -0.18 0.00 0.02 0.00 0.00 56.10 56.96 1kee s TRP 213 Cb 0.00 -2.78 -0.04 0.00 -1.15 0.00 0.00 33.47 29.50 1kee s TRP 213 CO 0.00 -0.82 1.12 0.15 0.02 0.00 0.00 176.95 177.43 1kee s LYS 214 N -5.14 3.21 -0.08 4.98 1.02 -0.35 -1.18 119.74 122.19 1kee s LYS 214 Ca 0.55 1.54 0.03 0.00 0.02 0.00 0.00 55.97 58.11 1kee s LYS 214 Cb -0.11 -1.99 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1kee s LYS 214 CO 0.50 -0.95 -0.17 -2.00 -0.92 0.00 0.00 175.35 171.81 1kee s GLU 215 N -3.52 2.24 0.20 1.68 2.12 -1.26 -1.24 118.70 118.91 1kee s GLU 215 Ca 0.71 -0.60 0.04 0.00 0.36 0.00 0.00 54.97 55.49 1kee s GLU 215 Cb -0.23 -1.77 -0.05 0.00 0.26 0.00 0.00 34.13 32.34 1kee s GLU 215 CO 0.31 0.08 -0.06 0.71 -0.54 0.00 0.00 175.26 175.76 1kee s TYR 216 N 0.56 1.49 -0.00 5.30 2.02 0.05 -1.02 117.35 125.74 1kee s TYR 216 Ca -0.16 -0.81 -0.06 0.00 -0.37 0.00 0.00 57.07 55.66 1kee s TYR 216 Cb -0.17 -0.81 0.00 0.00 -0.40 0.00 0.00 41.96 40.59 1kee s TYR 216 CO 0.05 0.06 0.12 -1.21 -1.57 0.00 0.00 175.55 173.01 1kee s GLU 217 N -3.79 0.43 -0.04 -0.62 2.02 -0.68 -0.80 118.70 115.22 1kee s GLU 217 Ca 0.23 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 54.91 1kee s GLU 217 Cb 0.04 0.18 0.01 0.00 0.10 0.00 0.00 34.13 34.45 1kee s GLU 217 CO 0.06 -0.10 -0.09 -1.64 0.02 0.00 0.00 175.26 173.51 1kee s MET 218 N -1.19 1.11 -0.27 1.61 -1.94 -0.18 -0.58 119.30 117.86 1kee s MET 218 Ca -0.13 -0.30 -0.12 0.00 -1.71 0.00 0.00 55.69 53.43 1kee s MET 218 Cb -0.07 -1.01 -0.05 0.00 2.01 0.00 0.00 34.83 35.72 1kee s MET 218 CO 0.01 0.06 0.24 -1.21 -0.01 0.00 0.00 175.02 174.11 1kee s GLU 219 N 0.42 3.98 0.15 2.03 0.41 -0.09 -1.08 118.70 124.51 1kee s GLU 219 Ca -0.07 -0.21 0.09 0.00 -0.41 0.00 0.00 54.97 54.37 1kee s GLU 219 Cb -0.11 -3.65 -0.04 0.00 -1.78 0.00 0.00 34.13 28.55 1kee s GLU 219 CO 0.01 -0.19 -0.16 0.08 -0.49 0.00 0.00 175.26 174.51 1kee s VAL 220 N 1.79 2.86 -0.02 2.63 1.01 -0.14 -0.18 120.40 128.36 1kee s VAL 220 Ca 0.09 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.43 1kee s VAL 220 Cb -0.16 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1kee s VAL 220 CO 0.10 -0.01 -0.04 -0.69 0.00 0.00 0.00 175.10 174.46 1kee s VAL 221 N -1.42 0.42 0.01 2.92 1.01 -0.55 -1.21 120.40 121.58 1kee s VAL 221 Ca 0.21 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1kee s VAL 221 Cb -0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 1kee s VAL 221 CO 0.12 0.15 -0.06 -0.60 0.00 0.00 0.00 175.10 174.71 1kee s ARG 222 N 0.36 0.48 0.44 2.72 3.52 -0.74 -0.94 118.95 124.79 1kee s ARG 222 Ca -0.04 -0.34 0.07 0.00 -0.13 0.00 0.00 55.73 55.29 1kee s ARG 222 Cb -0.08 -0.41 -0.02 0.00 -1.56 0.00 0.00 34.95 32.88 1kee s ARG 222 CO -0.00 0.11 0.30 0.16 -0.81 0.00 0.00 175.30 175.05 1kee s ASP 223 N -0.50 4.71 0.36 -2.12 1.47 -0.12 -1.58 116.67 118.89 1kee s ASP 223 Ca -0.01 -0.98 0.27 0.00 1.18 0.00 0.00 52.55 53.01 1kee s ASP 223 Cb -0.04 -0.33 1.18 0.00 -0.34 0.00 0.00 42.92 43.39 1kee s ASP 223 CO -0.00 -0.70 1.81 0.07 0.68 0.00 0.00 175.17 177.03 1kee h LYS 224 N 1.13 0.00 -0.06 2.11 2.10 -1.74 -1.35 116.57 118.77 1kee h LYS 224 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1kee h LYS 224 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1kee h LYS 224 CO 0.62 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.16 1kee n ASN 225 N -2.50 1.31 -0.05 7.07 3.02 -1.26 -4.89 115.26 117.96 1kee n ASN 225 Ca 0.01 -1.50 -0.01 0.00 -0.03 0.00 0.00 54.58 53.05 1kee n ASN 225 Cb 0.22 -0.03 -0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1kee n ASN 225 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1kee n ASP 226 N 0.04 -3.11 -4.80 6.41 4.64 -0.51 -5.01 116.55 114.22 1kee n ASP 226 Ca 0.18 0.02 -0.35 0.00 -1.38 0.00 0.00 54.79 53.26 1kee n ASP 226 Cb 0.31 -0.67 -0.05 0.00 -1.04 0.00 0.00 41.12 39.67 1kee n ASP 226 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 1kee s ASN 227 N -2.78 6.78 -0.17 1.67 0.01 -1.25 -4.83 114.94 114.37 1kee s ASN 227 Ca 0.00 1.88 -0.11 0.00 -0.71 0.00 0.00 52.86 53.92 1kee s ASN 227 Cb 0.00 -2.56 0.05 0.00 0.41 0.00 0.00 41.25 39.15 1kee s ASN 227 CO 0.00 -0.47 0.42 0.00 -1.51 0.00 0.00 177.10 175.54 1kee s ILE 229 N 1.07 0.87 -0.35 0.00 -4.36 -0.12 -4.99 121.20 113.32 1kee s ILE 229 Ca -0.07 -1.84 -0.12 0.00 -0.26 0.00 0.00 60.65 58.36 1kee s ILE 229 Cb -0.07 -1.58 0.00 0.00 1.25 0.00 0.00 42.46 42.06 1kee s ILE 229 CO -0.09 -0.73 0.22 -0.63 0.24 0.00 0.00 174.94 173.95 1kee s ILE 230 N -3.12 4.95 0.07 8.37 -1.09 -1.26 -1.48 121.20 127.64 1kee s ILE 230 Ca 0.10 -0.49 -0.15 0.00 -2.23 0.00 0.00 60.65 57.88 1kee s ILE 230 Cb 0.02 -3.62 -0.20 0.00 -1.58 0.00 0.00 42.46 37.07 1kee s ILE 230 CO -0.02 -0.09 1.21 0.58 -1.23 0.00 0.00 174.94 175.39 1kee h VAL 231 N 5.64 1.32 -2.64 2.92 2.07 -0.90 -3.39 116.25 121.28 1kee h VAL 231 Ca -0.30 -2.07 -0.06 0.00 0.82 0.00 0.00 66.70 65.10 1kee h VAL 231 Cb 1.14 2.27 -0.17 0.00 -1.52 0.00 0.00 31.29 33.01 1kee h VAL 231 CO 0.65 0.64 0.06 0.00 0.02 0.00 0.00 177.57 178.94 1kee s SER 233 N -1.80 3.01 -0.01 0.00 1.04 -1.26 -0.92 113.70 113.76 1kee s SER 233 Ca -0.07 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1kee s SER 233 Cb -0.01 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1kee s SER 233 CO 0.01 0.16 -0.05 -0.63 0.98 0.00 0.00 173.24 173.71 1kee s ILE 234 N -1.01 0.40 -0.20 -1.02 1.01 0.25 -3.71 121.20 116.93 1kee s ILE 234 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 1kee s ILE 234 Cb -0.10 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 42.02 1kee s ILE 234 CO 0.04 0.13 -0.14 -0.70 0.00 0.00 0.00 174.94 174.27 1kee s GLU 235 N 0.10 3.06 0.24 2.79 2.12 0.15 -1.68 118.70 125.48 1kee s GLU 235 Ca -0.01 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.23 1kee s GLU 235 Cb -0.05 -2.74 -0.09 0.00 0.26 0.00 0.00 34.13 31.51 1kee s GLU 235 CO -0.00 -0.23 1.33 -0.80 -0.54 0.00 0.00 175.26 175.01 1kee s ASN 236 N 1.34 6.83 0.00 -1.70 0.02 -0.19 -2.07 114.94 119.18 1kee s ASN 236 Ca 0.04 2.52 -0.22 0.00 -1.02 0.00 0.00 52.86 54.18 1kee s ASN 236 Cb -0.14 -2.62 -0.18 0.00 0.02 0.00 0.00 41.25 38.33 1kee s ASN 236 CO -0.09 -0.55 1.23 0.15 0.02 0.00 0.00 177.10 177.86 1kee h PHE 237 N 4.80 0.32 -3.60 2.20 3.57 -0.82 -3.43 116.94 119.98 1kee h PHE 237 Ca -0.46 -0.12 -0.51 0.00 3.53 0.00 0.00 57.97 60.41 1kee h PHE 237 Cb 1.22 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 1kee h PHE 237 CO 0.60 0.78 0.26 -0.51 -2.23 0.00 0.00 178.31 177.22 1kee s ASP 238 N -6.14 7.48 1.08 0.41 1.01 -1.23 -4.48 116.67 114.80 1kee s ASP 238 Ca -0.15 1.76 -0.12 0.00 0.71 0.00 0.00 52.55 54.75 1kee s ASP 238 Cb 0.03 -2.55 0.17 0.00 1.01 0.00 0.00 42.92 41.58 1kee s ASP 238 CO 0.74 0.14 0.76 0.00 0.21 0.00 0.00 175.17 177.03 1kee n ALA 239 N 1.81 -1.59 -1.77 5.23 0.00 -1.26 -4.67 120.51 118.26 1kee n ALA 239 Ca -0.03 -1.06 -0.41 0.00 0.00 0.00 0.00 53.44 51.94 1kee n ALA 239 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 1kee n ALA 239 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1kee s MET 240 N -4.70 4.11 0.00 0.00 -1.94 -0.32 -3.01 119.30 113.44 1kee s MET 240 Ca 0.46 2.57 0.00 0.00 -1.71 0.00 0.00 55.69 57.01 1kee s MET 240 Cb -0.03 -2.98 0.00 0.00 2.01 0.00 0.00 34.83 33.83 1kee s MET 240 CO 0.34 -0.56 0.00 0.41 -0.01 0.00 0.00 175.02 175.20 1kee n GLY 241 N 0.92 0.93 3.31 -0.03 0.00 -1.26 -2.16 105.19 106.90 1kee n GLY 241 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1kee n GLY 241 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kee s ILE 242 N -1.12 3.14 0.36 -0.61 1.01 -1.16 -2.80 121.20 120.01 1kee s ILE 242 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 1kee s ILE 242 Cb 0.00 -2.39 -0.12 0.00 0.01 0.00 0.00 42.46 39.96 1kee s ILE 242 CO 0.00 0.47 1.12 1.57 0.00 0.00 0.00 174.94 178.10 1kee n HIS 243 N 4.40 1.64 -0.33 3.97 -0.00 0.25 -4.74 115.22 120.42 1kee n HIS 243 Ca -0.18 0.59 0.16 0.00 -0.00 0.00 0.00 57.72 58.28 1kee n HIS 243 Cb 0.51 -2.31 0.38 0.00 -0.00 0.00 0.00 29.99 28.57 1kee n HIS 243 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1kee h THR 244 N 2.04 0.66 0.00 3.57 1.35 -1.92 0.34 112.91 118.95 1kee h THR 244 Ca -0.44 -0.22 -0.03 0.00 -0.55 0.00 0.00 66.41 65.17 1kee h THR 244 Cb 1.32 -0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1kee h THR 244 CO 0.60 0.12 -0.15 1.23 -0.25 0.00 0.00 175.52 177.07 1kee h GLY 245 N 0.65 0.00 -2.01 5.82 0.00 -1.98 -2.10 103.07 103.46 1kee h GLY 245 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1kee h GLY 245 CO -0.35 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.41 1kee n ASP 246 N -3.32 3.12 -4.91 0.19 10.43 0.95 -4.74 116.55 118.27 1kee n ASP 246 Ca 0.00 -1.97 -0.29 0.00 2.57 0.00 0.00 54.79 55.11 1kee n ASP 246 Cb 0.37 -0.10 -0.04 0.00 1.84 0.00 0.00 41.12 43.20 1kee n ASP 246 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1kee s SER 247 N -1.73 6.26 0.21 -2.24 0.01 0.13 -4.82 113.70 111.52 1kee s SER 247 Ca 0.31 0.19 -0.30 0.00 1.31 0.00 0.00 55.95 57.47 1kee s SER 247 Cb 0.20 -1.88 -0.08 0.00 0.21 0.00 0.00 66.02 64.47 1kee s SER 247 CO 0.30 0.12 1.05 -0.63 0.41 0.00 0.00 173.24 174.49 1kee s ILE 248 N -1.60 3.86 0.05 1.44 1.01 -1.26 -4.40 121.20 120.29 1kee s ILE 248 Ca 0.34 1.72 -0.03 0.00 0.00 0.00 0.00 60.65 62.69 1kee s ILE 248 Cb -0.12 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 1kee s ILE 248 CO 0.28 0.35 0.02 0.42 0.00 0.00 0.00 174.94 176.00 1kee s THR 249 N -0.68 0.19 0.05 2.92 -4.23 0.06 -0.07 115.64 113.87 1kee s THR 249 Ca 0.46 -1.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1kee s THR 249 Cb -0.29 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 1kee s THR 249 CO 0.36 -0.85 -0.07 0.68 -0.54 0.00 0.00 174.62 174.20 1kee s VAL 250 N -3.49 0.52 -0.04 2.29 -7.23 -0.88 0.44 120.40 112.01 1kee s VAL 250 Ca 0.03 -1.29 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 1kee s VAL 250 Cb 0.05 -0.86 -0.00 0.00 0.56 0.00 0.00 36.38 36.12 1kee s VAL 250 CO -0.09 -0.53 -0.18 0.00 -0.31 0.00 0.00 175.10 173.99 1kee s ALA 251 N -2.01 1.61 0.49 1.32 0.00 0.04 -0.68 121.76 122.52 1kee s ALA 251 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1kee s ALA 251 Cb -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1kee s ALA 251 CO -0.01 0.29 0.00 -0.35 0.00 0.00 0.00 175.76 175.69 1kee n PRO 252 N 3.12 1.61 -2.01 0.00 -0.04 -1.26 -1.27 135.00 135.15 1kee n PRO 252 Ca -0.18 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.93 1kee n PRO 252 Cb 0.53 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.02 1kee n PRO 252 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kee s ALA 253 N -2.98 2.54 -0.06 0.55 0.00 -1.24 -4.31 121.76 116.26 1kee s ALA 253 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 1kee s ALA 253 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1kee s ALA 253 CO 0.00 -1.12 -0.06 1.04 0.00 0.00 0.00 175.76 175.61 1kee n GLN 254 N -1.68 0.14 -0.87 0.00 1.13 -1.26 -4.84 117.38 110.01 1kee n GLN 254 Ca 0.13 0.04 0.02 0.00 -1.94 0.00 0.00 57.00 55.24 1kee n GLN 254 Cb 0.50 -1.01 0.33 0.00 0.11 0.00 0.00 30.24 30.18 1kee n GLN 254 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1kee n THR 255 N -2.85 2.76 -4.12 5.09 -2.24 -1.26 -4.95 114.28 106.70 1kee n THR 255 Ca -0.11 -1.65 -0.34 0.00 -2.27 0.00 0.00 64.05 59.69 1kee n THR 255 Cb 0.61 -0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 1kee n THR 255 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kee s LEU 256 N -2.90 3.89 0.62 3.22 1.43 -1.26 -5.10 118.68 118.59 1kee s LEU 256 Ca 0.52 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 1kee s LEU 256 Cb 0.41 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1kee s LEU 256 CO 0.13 0.30 1.03 0.42 0.23 0.00 0.00 176.35 178.46 1kee s THR 257 N -1.13 4.67 0.34 5.49 -4.23 -1.26 -4.82 115.64 114.69 1kee s THR 257 Ca 0.21 0.85 0.06 0.00 -1.18 0.00 0.00 61.69 61.63 1kee s THR 257 Cb -0.12 -3.85 0.31 0.00 1.34 0.00 0.00 72.50 70.17 1kee s THR 257 CO 0.11 -1.12 1.88 -0.78 -0.54 0.00 0.00 174.62 174.17 1kee h ASP 258 N -0.32 0.73 -0.53 3.99 3.58 -1.98 0.67 116.42 122.56 1kee h ASP 258 Ca -0.44 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.07 1kee h ASP 258 Cb 1.19 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.09 1kee h ASP 258 CO 0.62 0.40 0.30 0.11 -2.88 0.00 0.00 179.24 177.80 1kee h LYS 259 N 0.79 0.58 -0.33 0.28 1.57 -2.00 -0.55 116.57 116.91 1kee h LYS 259 Ca 0.43 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 59.02 1kee h LYS 259 Cb 0.55 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1kee h LYS 259 CO -0.19 0.38 -0.40 0.93 -0.57 0.00 0.00 179.45 179.60 1kee h GLU 260 N 0.60 0.80 -0.66 3.15 5.08 -1.67 -2.79 114.58 119.09 1kee h GLU 260 Ca 0.22 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1kee h GLU 260 Cb 0.06 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1kee h GLU 260 CO -0.11 1.05 0.35 -0.92 -1.00 0.00 0.00 179.01 178.38 1kee h TYR 261 N 0.65 0.91 -0.04 4.33 5.03 -0.55 -1.08 116.97 126.22 1kee h TYR 261 Ca 0.05 -0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.21 1kee h TYR 261 Cb 0.97 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 1kee h TYR 261 CO 0.05 0.66 -0.55 1.96 -1.32 0.00 0.00 178.16 178.96 1kee h GLN 262 N 0.90 0.11 -0.26 1.82 1.08 -1.08 0.50 115.11 118.18 1kee h GLN 262 Ca 0.23 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.29 1kee h GLN 262 Cb 0.06 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1kee h GLN 262 CO -0.04 0.64 -0.12 0.82 -0.95 0.00 0.00 178.83 179.18 1kee h ILE 263 N 0.09 1.30 -0.63 2.54 2.04 -1.19 0.81 117.51 122.46 1kee h ILE 263 Ca -0.00 -1.20 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 1kee h ILE 263 Cb 1.00 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1kee h ILE 263 CO 0.08 0.38 0.28 -0.03 0.00 0.00 0.00 178.15 178.85 1kee h MET 264 N 0.27 0.93 -0.64 2.37 4.05 -0.95 -0.62 114.93 120.34 1kee h MET 264 Ca 0.06 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.35 1kee h MET 264 Cb 0.63 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 1kee h MET 264 CO 0.04 0.77 0.40 -0.09 0.23 0.00 0.00 176.91 178.26 1kee h ARG 265 N 0.88 0.78 -0.50 0.39 2.43 0.20 -1.33 114.38 117.23 1kee h ARG 265 Ca 0.21 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 1kee h ARG 265 Cb 0.16 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1kee h ARG 265 CO -0.02 0.52 -0.06 -0.91 -1.51 0.00 0.00 179.97 177.98 1kee h ASN 266 N 0.80 0.92 -0.66 -3.80 -0.26 -0.45 -2.43 115.58 109.70 1kee h ASN 266 Ca 0.25 -0.34 0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1kee h ASN 266 Cb -0.01 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 36.96 1kee h ASN 266 CO -0.09 1.03 0.40 0.00 -1.06 0.00 0.00 177.43 177.72 1kee h ALA 267 N 0.91 0.86 0.00 -0.83 0.00 -0.82 0.30 119.26 119.68 1kee h ALA 267 Ca 0.13 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1kee h ALA 267 Cb 0.60 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1kee h ALA 267 CO 0.04 0.15 -0.25 0.77 0.00 0.00 0.00 179.25 179.96 1kee h SER 268 N 0.78 -0.74 0.06 0.00 0.02 -1.13 0.39 113.55 112.94 1kee h SER 268 Ca 0.27 0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.25 1kee h SER 268 Cb 0.04 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1kee h SER 268 CO -0.12 -0.32 -0.22 0.24 -1.14 0.00 0.00 176.83 175.28 1kee h MET 269 N -0.39 0.28 -0.10 3.45 2.86 -1.09 -2.33 114.93 117.61 1kee h MET 269 Ca 0.06 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1kee h MET 269 Cb 0.47 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1kee h MET 269 CO -0.22 0.49 -0.54 0.00 1.06 0.00 0.00 176.91 177.70 1kee h ALA 270 N 1.52 0.91 0.00 6.32 0.00 -0.09 -2.70 119.26 125.23 1kee h ALA 270 Ca 0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1kee h ALA 270 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1kee h ALA 270 CO 0.04 0.69 -0.00 0.28 0.00 0.00 0.00 179.25 180.25 1kee h VAL 271 N 0.21 1.02 -0.71 0.00 2.07 0.30 -1.59 116.25 117.56 1kee h VAL 271 Ca 0.00 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1kee h VAL 271 Cb 1.02 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1kee h VAL 271 CO 0.09 0.02 0.42 -0.07 0.02 0.00 0.00 177.57 178.05 1kee h LEU 272 N -0.04 0.67 -1.00 2.57 4.07 -1.47 -0.80 115.31 119.31 1kee h LEU 272 Ca -0.00 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1kee h LEU 272 Cb 0.04 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.62 1kee h LEU 272 CO 0.00 0.44 0.38 0.03 -1.08 0.00 0.00 178.44 178.22 1kee h ARG 273 N 0.80 1.09 -0.05 1.13 3.08 -1.28 0.39 114.38 119.55 1kee h ARG 273 Ca 0.30 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 1kee h ARG 273 Cb 0.11 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 29.97 1kee h ARG 273 CO -0.15 0.83 -0.51 1.49 -1.07 0.00 0.00 179.97 180.56 1kee h GLU 274 N 1.09 0.43 -0.34 0.04 4.57 -0.56 -3.11 114.58 116.69 1kee h GLU 274 Ca 0.27 -0.40 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 1kee h GLU 274 Cb 0.09 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1kee h GLU 274 CO -0.04 1.05 0.12 0.82 -1.18 0.00 0.00 179.01 179.78 1kee h ILE 275 N -0.04 1.14 -0.36 2.32 1.08 -1.12 -3.47 117.51 117.07 1kee h ILE 275 Ca -0.05 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1kee h ILE 275 Cb 1.19 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 1kee h ILE 275 CO 0.10 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 178.35 1kee n GLY 276 N -1.19 0.90 3.47 5.37 0.00 0.03 -4.23 105.19 109.55 1kee n GLY 276 Ca 0.02 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1kee n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 277 N -2.19 4.84 -0.41 1.61 1.01 -0.62 -4.68 120.40 119.96 1kee s VAL 277 Ca 0.00 -0.33 0.17 0.00 0.00 0.00 0.00 61.98 61.82 1kee s VAL 277 Cb 0.00 -4.29 -0.22 0.00 0.00 0.00 0.00 36.38 31.87 1kee s VAL 277 CO 0.00 -0.78 0.54 -0.62 0.00 0.00 0.00 175.10 174.24 1kee n GLU 278 N 6.26 1.05 -2.69 2.72 1.02 -1.26 -4.67 120.64 123.07 1kee n GLU 278 Ca -0.05 -0.08 -0.15 0.00 -0.02 0.00 0.00 57.16 56.86 1kee n GLU 278 Cb 0.46 -1.34 0.01 0.00 -0.02 0.00 0.00 31.44 30.55 1kee n GLU 278 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kee n THR 279 N -1.73 1.31 -3.37 2.62 -2.24 -1.25 -2.46 114.28 107.16 1kee n THR 279 Ca 0.00 -3.82 0.00 0.00 -2.27 0.00 0.00 64.05 57.96 1kee n THR 279 Cb 0.35 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1kee n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 280 N -0.14 -1.14 3.96 3.38 0.00 -0.61 -3.64 105.19 107.00 1kee n GLY 280 Ca 0.19 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 1kee n GLY 280 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kee s GLY 281 N 0.00 1.45 0.04 -0.02 0.00 -1.26 -1.79 107.32 105.74 1kee s GLY 281 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 44.72 43.32 1kee s GLY 281 CO 0.00 -1.10 0.50 -0.56 0.00 0.00 0.00 173.10 171.95 1kee s SER 282 N -4.11 -0.42 -0.13 1.64 0.01 -0.35 -3.47 113.70 106.87 1kee s SER 282 Ca 0.42 0.18 -0.05 0.00 1.31 0.00 0.00 55.95 57.82 1kee s SER 282 Cb -0.10 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 1kee s SER 282 CO 0.34 -0.69 0.04 0.21 0.41 0.00 0.00 173.24 173.54 1kee s ASN 283 N -1.89 5.49 -0.11 2.44 3.84 -0.73 -0.96 114.94 123.02 1kee s ASN 283 Ca -0.06 0.15 0.03 0.00 0.21 0.00 0.00 52.86 53.19 1kee s ASN 283 Cb -0.01 -1.75 0.00 0.00 -0.55 0.00 0.00 41.25 38.95 1kee s ASN 283 CO -0.01 0.30 -0.22 -0.69 -2.79 0.00 0.00 177.10 173.69 1kee s VAL 284 N -0.39 1.95 -0.12 -5.21 1.01 -0.24 -1.82 120.40 115.58 1kee s VAL 284 Ca 0.08 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1kee s VAL 284 Cb -0.12 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1kee s VAL 284 CO 0.02 0.53 -0.02 -1.10 0.00 0.00 0.00 175.10 174.54 1kee s GLN 285 N 0.55 3.34 0.13 2.72 -0.21 -0.11 -1.01 119.66 125.07 1kee s GLN 285 Ca -0.14 -0.46 0.04 0.00 0.02 0.00 0.00 55.36 54.81 1kee s GLN 285 Cb -0.17 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 1kee s GLN 285 CO 0.05 0.47 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.53 1kee s PHE 286 N -0.24 1.16 -0.06 0.91 0.08 0.02 0.27 117.98 120.12 1kee s PHE 286 Ca 0.05 -0.76 0.05 0.00 0.12 0.00 0.00 56.93 56.39 1kee s PHE 286 Cb -0.13 -0.61 -0.01 0.00 -0.57 0.00 0.00 43.02 41.70 1kee s PHE 286 CO 0.02 0.02 -0.23 0.00 -0.10 0.00 0.00 175.22 174.94 1kee s ALA 287 N -3.15 2.26 -0.07 5.36 0.00 -0.25 -0.77 121.76 125.13 1kee s ALA 287 Ca 0.13 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1kee s ALA 287 Cb 0.02 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.39 1kee s ALA 287 CO -0.00 0.42 -0.15 0.08 0.00 0.00 0.00 175.76 176.11 1kee s VAL 288 N -0.19 1.36 -0.48 0.00 1.01 -0.38 -1.15 120.40 120.57 1kee s VAL 288 Ca -0.02 -0.61 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 1kee s VAL 288 Cb -0.14 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.05 1kee s VAL 288 CO 0.03 0.41 1.09 0.21 0.00 0.00 0.00 175.10 176.84 1kee s ASN 289 N 0.60 6.58 0.54 3.32 3.84 -0.17 -1.21 114.94 128.44 1kee s ASN 289 Ca -0.15 0.34 0.26 0.00 0.21 0.00 0.00 52.86 53.51 1kee s ASN 289 Cb -0.16 -2.52 1.42 0.00 -0.55 0.00 0.00 41.25 39.43 1kee s ASN 289 CO 0.05 -1.22 1.99 1.55 -2.79 0.00 0.00 177.10 176.68 1kee h PRO 290 N 9.22 0.00 -0.00 0.43 0.13 -1.91 1.63 132.00 141.49 1kee h PRO 290 Ca -0.23 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.76 1kee h PRO 290 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1kee h PRO 290 CO 1.11 0.00 -0.62 0.87 -0.23 0.00 0.00 178.00 179.12 1kee h LYS 291 N 0.00 0.01 0.00 0.86 1.57 -1.99 -3.38 116.57 113.65 1kee h LYS 291 Ca 0.25 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1kee h LYS 291 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1kee h LYS 291 CO -0.00 0.63 0.00 0.27 -0.57 0.00 0.00 179.45 179.78 1kee n ASN 292 N -3.80 0.03 0.00 0.86 0.23 -0.67 -5.00 115.26 106.90 1kee n ASN 292 Ca -0.01 -1.01 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 1kee n ASN 292 Cb 0.62 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 1kee n ASN 292 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1kee n GLY 293 N -0.00 0.42 3.71 4.83 0.00 0.55 -4.95 105.19 109.75 1kee n GLY 293 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1kee n GLY 293 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1kee n ARG 294 N -2.00 2.51 -4.22 1.61 0.63 -1.23 -4.64 116.66 109.32 1kee n ARG 294 Ca 0.00 0.90 -0.34 0.00 -0.92 0.00 0.00 57.85 57.48 1kee n ARG 294 Cb 0.11 -2.68 -0.13 0.00 0.45 0.00 0.00 32.46 30.21 1kee n ARG 294 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1kee s LEU 295 N 0.40 3.04 -0.04 6.15 2.96 -1.26 -1.00 118.68 128.92 1kee s LEU 295 Ca 0.71 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.41 1kee s LEU 295 Cb -0.56 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 1kee s LEU 295 CO 0.42 0.08 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.66 1kee s ILE 296 N 0.90 1.90 -0.14 6.68 1.01 -0.30 -4.30 121.20 126.95 1kee s ILE 296 Ca -0.01 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.44 1kee s ILE 296 Cb -0.15 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1kee s ILE 296 CO 0.01 0.53 0.61 -0.69 0.00 0.00 0.00 174.94 175.40 1kee s VAL 297 N -0.26 5.08 -0.21 2.92 1.01 0.51 -1.10 120.40 128.34 1kee s VAL 297 Ca 0.01 1.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.98 1kee s VAL 297 Cb -0.12 -3.94 -0.19 0.00 0.00 0.00 0.00 36.38 32.14 1kee s VAL 297 CO 0.02 0.21 0.15 -0.38 0.00 0.00 0.00 175.10 175.10 1kee n ILE 298 N 4.14 1.54 -3.84 2.22 2.08 0.14 -4.56 119.36 121.09 1kee n ILE 298 Ca -0.03 -0.10 -0.01 0.00 0.56 0.00 0.00 62.75 63.17 1kee n ILE 298 Cb 0.51 -2.01 0.01 0.00 -0.75 0.00 0.00 39.64 37.40 1kee n ILE 298 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1kee n GLU 299 N -4.37 0.42 -3.73 0.38 0.28 -1.18 -5.01 120.64 107.43 1kee n GLU 299 Ca -0.35 -1.02 -0.12 0.00 -0.16 0.00 0.00 57.16 55.51 1kee n GLU 299 Cb 0.72 1.43 -0.11 0.00 1.43 0.00 0.00 31.44 34.92 1kee n GLU 299 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1kee s MET 300 N -2.03 0.41 -0.25 3.44 0.23 -1.26 -0.94 119.30 118.90 1kee s MET 300 Ca 0.19 0.60 -0.02 0.00 -1.03 0.00 0.00 55.69 55.43 1kee s MET 300 Cb -0.02 0.13 0.02 0.00 -1.53 0.00 0.00 34.83 33.43 1kee s MET 300 CO 0.03 -0.09 -0.05 -0.80 -2.03 0.00 0.00 175.02 172.08 1kee s ASN 301 N 0.61 4.39 0.00 -1.18 0.01 -0.75 -4.73 114.94 113.28 1kee s ASN 301 Ca -0.03 -0.84 -0.04 0.00 -0.71 0.00 0.00 52.86 51.24 1kee s ASN 301 Cb -0.05 -1.69 -0.16 0.00 0.41 0.00 0.00 41.25 39.77 1kee s ASN 301 CO -0.04 -0.13 2.71 -0.81 -1.51 0.00 0.00 177.10 177.32 1kee n PRO 302 N 4.69 1.44 -3.18 -0.60 -0.04 -1.26 -1.77 135.00 134.28 1kee n PRO 302 Ca -0.16 -0.59 -0.01 0.00 -0.04 0.00 0.00 63.50 62.70 1kee n PRO 302 Cb 0.47 -1.66 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 1kee n PRO 302 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1kee n ARG 303 N 2.27 0.36 -1.73 0.54 1.85 -1.23 -4.86 116.66 113.86 1kee n ARG 303 Ca 0.25 -0.88 -0.32 0.00 -1.00 0.00 0.00 57.85 55.90 1kee n ARG 303 Cb 0.67 1.24 0.04 0.00 -1.05 0.00 0.00 32.46 33.37 1kee n ARG 303 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1kee s VAL 304 N -2.17 3.83 0.22 8.89 -7.23 -1.03 -4.32 120.40 118.58 1kee s VAL 304 Ca 0.17 0.71 0.02 0.00 -1.81 0.00 0.00 61.98 61.07 1kee s VAL 304 Cb -0.02 -3.32 -0.01 0.00 0.56 0.00 0.00 36.38 33.59 1kee s VAL 304 CO 0.03 -0.67 0.24 -1.54 -0.31 0.00 0.00 175.10 172.84 1kee n SER 305 N -2.72 -0.63 0.19 4.85 3.41 -1.26 -4.72 113.62 112.74 1kee n SER 305 Ca 0.08 -2.32 0.03 0.00 -0.26 0.00 0.00 58.87 56.40 1kee n SER 305 Cb 0.53 1.30 0.37 0.00 -0.26 0.00 0.00 64.21 66.16 1kee n SER 305 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1kee h ARG 306 N 0.00 0.00 -0.06 4.33 0.11 -1.96 -0.83 114.38 115.96 1kee h ARG 306 Ca -0.16 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.74 1kee h ARG 306 Cb 0.76 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.86 1kee h ARG 306 CO 0.23 0.37 -0.67 0.77 0.10 0.00 0.00 179.97 180.77 1kee h SER 307 N 0.00 0.70 0.48 0.08 0.02 -1.98 -0.37 113.55 112.48 1kee h SER 307 Ca -0.00 -0.69 -0.07 0.00 -0.84 0.00 0.00 61.79 60.18 1kee h SER 307 Cb 0.69 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1kee h SER 307 CO 0.05 1.29 -0.33 0.77 -1.14 0.00 0.00 176.83 177.46 1kee h SER 308 N 0.16 0.00 -0.10 3.07 4.64 -1.86 0.19 113.55 119.66 1kee h SER 308 Ca -0.07 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1kee h SER 308 Cb 1.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1kee h SER 308 CO 0.14 0.33 -0.06 0.00 -0.87 0.00 0.00 176.83 176.37 1kee h ALA 309 N 1.67 0.14 -0.20 5.18 0.00 -1.08 -0.54 119.26 124.42 1kee h ALA 309 Ca -0.00 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1kee h ALA 309 Cb 0.66 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1kee h ALA 309 CO 0.04 -0.08 -0.07 1.25 0.00 0.00 0.00 179.25 180.39 1kee h LEU 310 N -0.17 -0.24 -1.85 0.00 5.85 -0.49 -2.21 115.31 116.20 1kee h LEU 310 Ca 0.02 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1kee h LEU 310 Cb 0.52 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1kee h LEU 310 CO 0.02 -0.09 0.11 0.00 -0.34 0.00 0.00 178.44 178.13 1kee h ALA 311 N 1.17 1.91 -0.35 1.25 0.00 -0.58 0.16 119.26 122.81 1kee h ALA 311 Ca 0.10 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1kee h ALA 311 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1kee h ALA 311 CO -0.23 0.08 -0.42 0.77 0.00 0.00 0.00 179.25 179.46 1kee h SER 312 N 0.20 0.94 -0.32 0.00 0.02 -0.50 -1.07 113.55 112.81 1kee h SER 312 Ca 0.06 -0.44 -0.09 0.00 -0.84 0.00 0.00 61.79 60.48 1kee h SER 312 Cb -0.00 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1kee h SER 312 CO -0.01 1.23 -0.16 0.11 -1.14 0.00 0.00 176.83 176.85 1kee h LYS 313 N 0.71 0.68 -0.64 3.45 6.56 -0.94 0.24 116.57 126.63 1kee h LYS 313 Ca 0.05 -0.30 -0.05 0.00 -1.06 0.00 0.00 60.65 59.29 1kee h LYS 313 Cb 1.00 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.61 1kee h LYS 313 CO 0.10 0.89 0.19 0.00 -2.06 0.00 0.00 179.45 178.57 1kee h ALA 314 N 0.77 0.85 0.00 3.86 0.00 -0.63 -3.34 119.26 120.77 1kee h ALA 314 Ca 0.07 -0.22 -0.30 0.00 0.00 0.00 0.00 54.91 54.46 1kee h ALA 314 Cb 0.69 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1kee h ALA 314 CO 0.05 0.53 -2.28 0.25 0.00 0.00 0.00 179.25 177.79 1kee n THR 315 N -4.34 1.14 -0.22 0.00 -2.24 -0.41 -4.98 114.28 103.22 1kee n THR 315 Ca 0.04 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1kee n THR 315 Cb 0.22 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1kee n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 316 N 1.72 0.66 3.50 3.38 0.00 0.84 -2.77 105.19 112.53 1kee n GLY 316 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1kee n GLY 316 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1kee s PHE 317 N -2.35 3.14 -1.16 1.61 2.19 -1.16 -4.62 117.98 115.64 1kee s PHE 317 Ca 0.00 -0.25 -0.22 0.00 0.33 0.00 0.00 56.93 56.79 1kee s PHE 317 Cb 0.00 -3.02 -0.02 0.00 -1.31 0.00 0.00 43.02 38.67 1kee s PHE 317 CO 0.00 -0.74 1.82 -1.25 1.83 0.00 0.00 175.22 176.88 1kee s PRO 318 N 2.34 3.10 0.15 10.12 0.04 -1.26 -4.24 135.00 145.24 1kee s PRO 318 Ca 0.15 -1.29 -0.23 0.00 0.04 0.00 0.00 61.00 59.67 1kee s PRO 318 Cb -0.16 -5.32 0.02 0.00 0.04 0.00 0.00 34.50 29.08 1kee s PRO 318 CO 0.15 -3.15 1.62 0.82 0.04 0.00 0.00 177.00 176.48 1kee h ILE 319 N 6.22 0.37 -0.77 0.56 2.04 -1.92 -1.49 117.51 122.51 1kee h ILE 319 Ca 0.27 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 1kee h ILE 319 Cb 0.94 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1kee h ILE 319 CO 1.32 0.00 0.44 0.00 0.00 0.00 0.00 178.15 179.91 1kee h ALA 320 N 0.74 0.98 0.37 1.87 0.00 -1.91 0.17 119.26 121.49 1kee h ALA 320 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1kee h ALA 320 Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1kee h ALA 320 CO -0.39 0.48 -0.29 -0.22 0.00 0.00 0.00 179.25 178.83 1kee h LYS 321 N 1.06 -0.64 0.23 0.00 3.64 -1.73 -0.10 116.57 119.03 1kee h LYS 321 Ca 0.27 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1kee h LYS 321 Cb 0.00 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1kee h LYS 321 CO -0.05 -0.42 -0.18 0.28 -2.27 0.00 0.00 179.45 176.81 1kee h VAL 322 N -0.66 0.61 -0.98 2.00 2.07 -1.08 -2.46 116.25 115.75 1kee h VAL 322 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 1kee h VAL 322 Cb 0.57 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 1kee h VAL 322 CO -0.01 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.20 1kee h ALA 323 N 0.31 1.61 -0.05 1.67 0.00 -0.57 -0.03 119.26 122.20 1kee h ALA 323 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1kee h ALA 323 Cb 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1kee h ALA 323 CO -0.01 0.12 -0.10 0.00 0.00 0.00 0.00 179.25 179.26 1kee h ALA 324 N 1.57 -0.07 -0.54 0.00 0.00 -0.56 0.06 119.26 119.71 1kee h ALA 324 Ca 0.50 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.48 1kee h ALA 324 Cb 0.60 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1kee h ALA 324 CO -0.27 -0.58 0.36 0.87 0.00 0.00 0.00 179.25 179.63 1kee h LYS 325 N -0.15 0.57 -0.20 0.00 1.57 -0.81 0.57 116.57 118.12 1kee h LYS 325 Ca 0.06 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1kee h LYS 325 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1kee h LYS 325 CO -0.14 0.38 -0.39 -0.07 -0.57 0.00 0.00 179.45 178.66 1kee h LEU 326 N 0.58 0.46 -2.41 2.94 4.07 0.03 -2.13 115.31 118.87 1kee h LEU 326 Ca 0.22 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1kee h LEU 326 Cb 0.16 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1kee h LEU 326 CO -0.06 0.81 -0.02 0.00 -1.08 0.00 0.00 178.44 178.08 1kee h ALA 327 N 1.22 1.44 -0.83 1.53 0.00 0.10 -1.41 119.26 121.31 1kee h ALA 327 Ca 0.04 -0.02 -0.44 0.00 0.00 0.00 0.00 54.91 54.49 1kee h ALA 327 Cb 0.84 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.37 1kee h ALA 327 CO 0.07 0.03 0.46 1.33 0.00 0.00 0.00 179.25 181.14 1kee n VAL 328 N -3.75 3.05 -0.05 0.00 0.24 -1.02 -4.46 118.33 112.34 1kee n VAL 328 Ca -0.03 -2.19 0.00 0.00 -2.04 0.00 0.00 64.34 60.08 1kee n VAL 328 Cb 0.11 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 1kee n VAL 328 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kee n GLY 329 N -1.14 0.89 3.78 7.63 0.00 -0.53 0.02 105.19 115.85 1kee n GLY 329 Ca 0.53 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1kee n GLY 329 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kee s TYR 330 N -2.36 2.74 0.19 1.61 1.51 -0.83 -3.89 117.35 116.33 1kee s TYR 330 Ca 0.00 1.45 0.10 0.00 -1.01 0.00 0.00 57.07 57.60 1kee s TYR 330 Cb 0.00 -3.01 -0.04 0.00 -0.11 0.00 0.00 41.96 38.79 1kee s TYR 330 CO 0.00 -1.68 -0.12 0.95 -1.11 0.00 0.00 175.55 173.59 1kee s THR 331 N -2.97 3.02 0.28 -0.71 -4.23 -1.16 -4.51 115.64 105.35 1kee s THR 331 Ca 0.60 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1kee s THR 331 Cb -0.16 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.44 1kee s THR 331 CO 0.56 -0.14 1.77 -0.07 -0.54 0.00 0.00 174.62 176.19 1kee h LEU 332 N 2.86 0.62 -1.10 4.79 3.38 -1.94 -0.34 115.31 123.58 1kee h LEU 332 Ca -0.46 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1kee h LEU 332 Cb 1.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1kee h LEU 332 CO 0.54 0.24 0.00 -2.24 0.09 0.00 0.00 178.44 177.07 1kee h ASP 333 N 0.68 0.00 1.29 -0.43 2.03 -1.92 -2.77 116.42 115.30 1kee h ASP 333 Ca 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.80 1kee h ASP 333 Cb 0.73 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 1kee h ASP 333 CO -0.37 0.00 -0.61 -0.33 -1.03 0.00 0.00 179.24 176.90 1kee h GLU 334 N 0.00 0.00 -6.00 4.15 5.08 -1.45 -3.45 114.58 112.90 1kee h GLU 334 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1kee h GLU 334 Cb 0.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1kee h GLU 334 CO 0.00 0.00 -0.34 -0.51 -1.00 0.00 0.00 179.01 177.16 1kee s LEU 335 N -5.39 4.35 0.27 1.33 1.43 -1.07 -4.98 118.68 114.62 1kee s LEU 335 Ca 0.03 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1kee s LEU 335 Cb 0.09 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1kee s LEU 335 CO 0.74 0.20 0.45 -0.04 0.23 0.00 0.00 176.35 177.92 1kee s MET 336 N -1.98 3.49 -0.41 1.70 -1.94 -1.26 -0.12 119.30 118.78 1kee s MET 336 Ca 0.31 -0.44 -0.24 0.00 -1.71 0.00 0.00 55.69 53.62 1kee s MET 336 Cb -0.13 -2.78 0.02 0.00 2.01 0.00 0.00 34.83 33.95 1kee s MET 336 CO 0.19 0.30 0.82 1.21 -0.01 0.00 0.00 175.02 177.53 1kee s ASN 337 N -3.72 6.50 0.05 3.03 2.47 0.86 -4.44 114.94 119.70 1kee s ASN 337 Ca 0.38 0.17 -0.10 0.00 0.42 0.00 0.00 52.86 53.74 1kee s ASN 337 Cb -0.10 -2.41 -0.02 0.00 -1.45 0.00 0.00 41.25 37.27 1kee s ASN 337 CO 0.32 -0.85 1.17 0.44 -3.72 0.00 0.00 177.10 174.45 1kee h ASP 338 N 8.75 -0.66 0.36 -4.21 3.45 -1.90 -1.15 116.42 121.05 1kee h ASP 338 Ca -0.24 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.31 1kee h ASP 338 Cb 1.09 0.29 0.00 0.00 -0.56 0.00 0.00 39.33 40.15 1kee h ASP 338 CO 0.95 -0.08 0.00 2.30 -1.57 0.00 0.00 179.24 180.84 1kee n ILE 339 N -3.68 0.69 -1.47 0.35 -5.35 -1.26 -3.04 119.36 105.61 1kee n ILE 339 Ca 0.00 0.17 -0.23 0.00 -0.27 0.00 0.00 62.75 62.42 1kee n ILE 339 Cb 0.08 -0.92 0.12 0.00 -1.74 0.00 0.00 39.64 37.18 1kee n ILE 339 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1kee n THR 340 N -1.35 3.09 -1.24 7.28 -2.24 -1.04 -4.09 114.28 114.69 1kee n THR 340 Ca 0.06 -2.91 -0.08 0.00 -2.27 0.00 0.00 64.05 58.85 1kee n THR 340 Cb 0.14 -0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 67.52 1kee n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 341 N -0.98 0.92 2.49 3.38 0.00 -1.17 -1.54 105.19 108.29 1kee n GLY 341 Ca 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1kee n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 342 N -0.81 0.36 0.26 -0.02 0.00 -0.46 -4.85 105.19 99.67 1kee n GLY 342 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1kee n GLY 342 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1kee h ARG 343 N 0.79 0.89 -6.20 1.61 -0.00 -1.49 -3.43 114.38 106.55 1kee h ARG 343 Ca 0.00 -0.18 -0.52 0.00 -0.50 0.00 0.00 59.98 58.78 1kee h ARG 343 Cb 0.32 -0.13 -0.06 0.00 0.00 0.00 0.00 29.97 30.10 1kee h ARG 343 CO 0.00 0.79 -0.55 0.95 0.00 0.00 0.00 179.97 181.16 1kee s THR 344 N -5.44 4.28 0.84 2.04 -4.23 -1.26 -5.00 115.64 106.87 1kee s THR 344 Ca -0.13 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 58.80 1kee s THR 344 Cb 0.13 -3.30 0.10 0.00 1.34 0.00 0.00 72.50 70.76 1kee s THR 344 CO 0.80 -0.33 1.13 -2.16 -0.54 0.00 0.00 174.62 173.51 1kee s PRO 345 N -3.75 1.71 0.11 3.99 0.04 -1.26 -0.10 135.00 135.75 1kee s PRO 345 Ca 0.32 0.40 0.26 0.00 0.04 0.00 0.00 61.00 62.02 1kee s PRO 345 Cb -0.08 -1.90 0.74 0.00 0.04 0.00 0.00 34.50 33.31 1kee s PRO 345 CO 0.24 -1.83 1.65 0.00 0.04 0.00 0.00 177.00 177.10 1kee n ALA 346 N -3.53 2.62 -2.66 8.56 0.00 0.83 -4.14 120.51 122.19 1kee n ALA 346 Ca 0.07 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1kee n ALA 346 Cb 0.58 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 1kee n ALA 346 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1kee s SER 347 N -3.92 6.69 0.08 0.00 1.04 -1.07 -4.85 113.70 111.67 1kee s SER 347 Ca 0.10 -2.04 -0.27 0.00 0.48 0.00 0.00 55.95 54.22 1kee s SER 347 Cb 0.15 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.83 1kee s SER 347 CO 0.63 -1.25 1.08 0.72 0.98 0.00 0.00 173.24 175.40 1kee s PHE 348 N 4.02 -0.11 -0.22 5.02 -0.12 -1.26 -4.94 117.98 120.37 1kee s PHE 348 Ca 0.46 -0.11 -0.05 0.00 -0.05 0.00 0.00 56.93 57.18 1kee s PHE 348 Cb 0.00 0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 42.98 1kee s PHE 348 CO -0.03 -0.60 -0.01 -1.21 -0.05 0.00 0.00 175.22 173.32 1kee s GLU 349 N -2.95 3.48 0.79 1.99 2.02 -1.26 -4.78 118.70 118.00 1kee s GLU 349 Ca 0.13 -0.57 -0.13 0.00 0.02 0.00 0.00 54.97 54.41 1kee s GLU 349 Cb 0.01 -3.09 0.08 0.00 0.10 0.00 0.00 34.13 31.23 1kee s GLU 349 CO -0.01 -0.15 1.19 -2.14 0.02 0.00 0.00 175.26 174.17 1kee s PRO 350 N 1.41 1.75 -0.02 0.39 0.02 -1.26 -5.00 135.00 132.28 1kee s PRO 350 Ca 0.05 1.70 -0.00 0.00 0.02 0.00 0.00 61.00 62.77 1kee s PRO 350 Cb -0.14 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.61 1kee s PRO 350 CO -0.01 -2.12 0.03 0.45 -0.33 0.00 0.00 177.00 175.02 1kee s SER 351 N -2.24 0.16 0.13 2.53 0.15 -0.43 -4.99 113.70 109.00 1kee s SER 351 Ca 0.72 0.03 0.09 0.00 0.70 0.00 0.00 55.95 57.49 1kee s SER 351 Cb -0.27 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.90 1kee s SER 351 CO 0.50 -0.13 -0.16 0.27 1.20 0.00 0.00 173.24 174.92 1kee s ILE 352 N 1.11 2.91 -0.44 6.45 -4.36 -1.26 -0.46 121.20 125.16 1kee s ILE 352 Ca -0.09 -1.55 0.04 0.00 -0.26 0.00 0.00 60.65 58.79 1kee s ILE 352 Cb -0.13 -2.36 0.44 0.00 1.25 0.00 0.00 42.46 41.66 1kee s ILE 352 CO -0.03 0.05 1.42 -0.90 0.24 0.00 0.00 174.94 175.72 1kee n ASP 353 N 0.61 5.68 -2.71 4.36 3.85 -1.26 -4.87 116.55 122.20 1kee n ASP 353 Ca -0.14 -3.76 -0.05 0.00 -0.71 0.00 0.00 54.79 50.13 1kee n ASP 353 Cb 0.53 -0.55 0.02 0.00 -1.35 0.00 0.00 41.12 39.77 1kee n ASP 353 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kee n TYR 354 N -0.70 -1.68 -4.20 2.11 4.11 -1.26 -4.86 117.16 110.68 1kee n TYR 354 Ca 0.48 -1.30 -0.30 0.00 -0.00 0.00 0.00 57.90 56.78 1kee n TYR 354 Cb 0.80 0.64 -0.17 0.00 -0.00 0.00 0.00 39.34 40.62 1kee n TYR 354 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1kee s VAL 355 N -2.20 1.55 -0.16 -3.48 1.01 0.17 -4.62 120.40 112.68 1kee s VAL 355 Ca 0.16 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1kee s VAL 355 Cb -0.03 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1kee s VAL 355 CO 0.07 0.45 0.28 -0.69 0.00 0.00 0.00 175.10 175.21 1kee s VAL 356 N 1.29 5.31 -0.03 2.92 1.01 -0.39 -1.66 120.40 128.85 1kee s VAL 356 Ca 0.00 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.56 1kee s VAL 356 Cb -0.14 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1kee s VAL 356 CO -0.07 0.40 -0.23 -0.89 0.00 0.00 0.00 175.10 174.32 1kee s THR 357 N 0.38 1.82 -0.08 3.92 2.01 -0.53 -0.78 115.64 122.37 1kee s THR 357 Ca 0.16 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1kee s THR 357 Cb -0.13 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.87 1kee s THR 357 CO 0.03 0.51 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.57 1kee s LYS 358 N -0.44 2.15 -0.07 4.92 2.20 0.17 -1.36 119.74 127.30 1kee s LYS 358 Ca 0.06 -0.56 0.05 0.00 -0.36 0.00 0.00 55.97 55.16 1kee s LYS 358 Cb -0.10 -1.71 -0.00 0.00 -1.51 0.00 0.00 37.83 34.50 1kee s LYS 358 CO -0.00 0.06 -0.22 0.42 -0.36 0.00 0.00 175.35 175.25 1kee s ILE 359 N 0.60 1.85 0.44 5.43 1.01 -0.90 -0.76 121.20 128.86 1kee s ILE 359 Ca -0.15 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.36 1kee s ILE 359 Cb -0.16 -1.58 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 1kee s ILE 359 CO 0.05 0.52 0.97 -2.16 0.00 0.00 0.00 174.94 174.31 1kee s PRO 360 N 0.08 4.14 -0.14 2.79 0.04 -1.26 -1.24 135.00 139.41 1kee s PRO 360 Ca -0.09 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 1kee s PRO 360 Cb -0.15 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1kee s PRO 360 CO 0.05 -0.11 -0.04 0.50 0.04 0.00 0.00 177.00 177.44 1kee s ARG 361 N -3.20 3.51 0.46 4.56 6.06 0.17 -4.90 118.95 125.61 1kee s ARG 361 Ca 0.63 -0.52 0.05 0.00 -2.50 0.00 0.00 55.73 53.39 1kee s ARG 361 Cb -0.10 -2.86 -0.04 0.00 0.06 0.00 0.00 34.95 32.00 1kee s ARG 361 CO 0.15 0.32 0.05 -0.06 -2.50 0.00 0.00 175.30 173.26 1kee s PHE 362 N 0.14 2.23 -0.31 5.12 0.08 -1.26 -0.13 117.98 123.85 1kee s PHE 362 Ca -0.01 -0.78 0.18 0.00 0.12 0.00 0.00 56.93 56.44 1kee s PHE 362 Cb -0.14 -1.75 0.46 0.00 -0.57 0.00 0.00 43.02 41.03 1kee s PHE 362 CO 0.03 0.29 1.18 0.09 -0.10 0.00 0.00 175.22 176.70 1kee n ASN 363 N -1.16 0.49 0.18 1.36 5.03 -1.26 -4.84 115.26 115.05 1kee n ASN 363 Ca -0.10 -2.32 0.08 0.00 0.87 0.00 0.00 54.58 53.11 1kee n ASN 363 Cb 0.67 -0.07 0.59 0.00 -1.02 0.00 0.00 39.78 39.94 1kee n ASN 363 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1kee h PHE 364 N 2.34 0.13 -0.79 3.10 0.04 -1.92 -2.42 116.94 117.41 1kee h PHE 364 Ca -0.21 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.73 1kee h PHE 364 Cb 1.25 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 39.31 1kee h PHE 364 CO 0.34 0.08 0.53 1.05 -0.60 0.00 0.00 178.31 179.71 1kee h GLU 365 N 0.14 0.40 0.00 1.51 9.09 -1.98 -0.60 114.58 123.14 1kee h GLU 365 Ca 0.06 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.44 1kee h GLU 365 Cb 0.06 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 1kee h GLU 365 CO -0.01 0.27 0.00 1.63 0.05 0.00 0.00 179.01 180.95 1kee n LYS 366 N -4.48 0.02 -3.27 1.06 5.02 -0.91 -3.70 118.16 111.90 1kee n LYS 366 Ca 0.16 0.21 -0.25 0.00 -2.02 0.00 0.00 58.31 56.41 1kee n LYS 366 Cb 0.58 -1.54 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 1kee n LYS 366 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1kee n PHE 367 N -1.59 0.87 -0.35 2.13 3.72 -0.23 -4.97 117.46 117.05 1kee n PHE 367 Ca 0.04 -3.74 0.23 0.00 -0.05 0.00 0.00 57.45 53.93 1kee n PHE 367 Cb 0.22 -0.41 0.47 0.00 -0.94 0.00 0.00 39.48 38.82 1kee n PHE 367 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kee h ALA 368 N 4.08 2.05 0.00 4.37 0.00 -1.65 -0.82 119.26 127.29 1kee h ALA 368 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1kee h ALA 368 Cb 0.81 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1kee h ALA 368 CO 0.58 -0.57 -0.23 0.41 0.00 0.00 0.00 179.25 179.44 1kee n GLY 369 N -1.36 -1.43 3.80 0.00 0.00 -1.26 -4.94 105.19 100.00 1kee n GLY 369 Ca 0.29 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1kee n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 370 N -3.03 2.51 -0.34 4.61 0.00 -0.31 -4.49 121.76 120.72 1kee s ALA 370 Ca 0.12 0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 1kee s ALA 370 Cb 0.17 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 20.12 1kee s ALA 370 CO 0.61 -1.42 1.07 1.21 0.00 0.00 0.00 175.76 177.23 1kee s ASN 371 N -3.71 6.88 -0.08 0.00 3.84 -1.26 -4.93 114.94 115.67 1kee s ASN 371 Ca 0.59 0.95 0.13 0.00 0.21 0.00 0.00 52.86 54.74 1kee s ASN 371 Cb -0.15 -2.54 0.53 0.00 -0.55 0.00 0.00 41.25 38.55 1kee s ASN 371 CO 0.55 -0.92 1.40 -0.90 -2.79 0.00 0.00 177.10 174.44 1kee n ASP 372 N 6.97 3.62 -4.82 -4.21 5.68 -1.26 -4.95 116.55 117.58 1kee n ASP 372 Ca 0.12 -2.32 -0.37 0.00 -0.50 0.00 0.00 54.79 51.71 1kee n ASP 372 Cb 0.47 -0.49 -0.06 0.00 -1.14 0.00 0.00 41.12 39.90 1kee n ASP 372 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1kee s ARG 373 N -1.76 4.14 0.21 0.11 1.81 -1.26 -4.32 118.95 117.88 1kee s ARG 373 Ca 0.38 0.68 -0.30 0.00 -1.72 0.00 0.00 55.73 54.77 1kee s ARG 373 Cb 0.24 -3.09 -0.08 0.00 -0.45 0.00 0.00 34.95 31.57 1kee s ARG 373 CO 0.18 0.55 1.01 -0.51 -0.68 0.00 0.00 175.30 175.85 1kee s LEU 374 N -1.51 4.57 0.00 2.53 1.43 0.52 -4.97 118.68 121.24 1kee s LEU 374 Ca 0.34 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 1kee s LEU 374 Cb -0.18 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1kee s LEU 374 CO 0.19 -0.02 0.00 1.07 0.23 0.00 0.00 176.35 177.82 1kee n THR 375 N 1.87 0.00 0.69 5.49 5.66 -1.26 -4.83 114.28 121.90 1kee n THR 375 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1kee n THR 375 Cb 0.47 0.00 0.37 0.00 -1.55 0.00 0.00 70.33 69.62 1kee n THR 375 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1kee n THR 376 N 0.00 0.41 -3.60 1.09 -2.24 -1.12 -0.58 114.28 108.24 1kee n THR 376 Ca 0.00 -0.22 -0.36 0.00 -2.27 0.00 0.00 64.05 61.20 1kee n THR 376 Cb 0.00 -0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 67.75 1kee n THR 376 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1kee s GLN 377 N -3.10 4.20 0.56 -0.78 0.74 -1.26 -4.23 119.66 115.79 1kee s GLN 377 Ca 0.10 -0.04 -0.20 0.00 0.05 0.00 0.00 55.36 55.26 1kee s GLN 377 Cb 0.14 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.75 1kee s GLN 377 CO 0.63 0.20 1.24 -1.64 -0.55 0.00 0.00 175.29 175.16 1kee s MET 378 N 0.62 3.17 0.00 1.67 -1.94 0.83 -4.89 119.30 118.76 1kee s MET 378 Ca 0.13 1.92 0.00 0.00 -1.71 0.00 0.00 55.69 56.02 1kee s MET 378 Cb -0.13 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.61 1kee s MET 378 CO 0.03 -1.07 0.01 1.63 -0.01 0.00 0.00 175.02 175.60 1kee n LYS 379 N -1.24 0.04 -2.74 2.03 5.02 -1.26 -4.91 118.16 115.10 1kee n LYS 379 Ca 0.12 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 56.07 1kee n LYS 379 Cb 0.48 -0.33 -0.06 0.00 -0.02 0.00 0.00 35.03 35.10 1kee n LYS 379 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1kee s SER 380 N -0.01 6.77 0.01 4.39 1.04 -1.26 -4.63 113.70 120.02 1kee s SER 380 Ca 0.00 1.75 0.22 0.00 0.48 0.00 0.00 55.95 58.40 1kee s SER 380 Cb 0.00 -2.54 -0.19 0.00 0.10 0.00 0.00 66.02 63.38 1kee s SER 380 CO 0.00 -0.48 0.76 1.33 0.98 0.00 0.00 173.24 175.84 1kee n VAL 381 N -0.75 0.07 -3.04 5.02 0.24 0.81 -4.31 118.33 116.38 1kee n VAL 381 Ca 0.08 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1kee n VAL 381 Cb 0.54 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 1kee n VAL 381 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kee n GLY 382 N 1.35 1.52 3.51 7.63 0.00 -1.00 -4.62 105.19 113.59 1kee n GLY 382 Ca -0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 1kee n GLY 382 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kee s GLU 383 N -0.68 0.96 0.27 1.61 -1.05 -1.26 0.44 118.70 118.98 1kee s GLU 383 Ca 0.00 0.04 0.11 0.00 -0.15 0.00 0.00 54.97 54.97 1kee s GLU 383 Cb 0.00 0.45 -0.05 0.00 -0.44 0.00 0.00 34.13 34.09 1kee s GLU 383 CO 0.00 -0.34 -0.14 0.54 0.95 0.00 0.00 175.26 176.27 1kee s VAL 384 N -1.86 2.77 0.02 1.83 0.11 -0.37 -4.37 120.40 118.53 1kee s VAL 384 Ca -0.05 -2.22 0.01 0.00 -2.93 0.00 0.00 61.98 56.79 1kee s VAL 384 Cb -0.00 -2.46 -0.02 0.00 -1.53 0.00 0.00 36.38 32.38 1kee s VAL 384 CO 0.02 -0.37 -0.05 -0.32 -3.33 0.00 0.00 175.10 171.05 1kee s MET 385 N -3.49 0.36 0.07 1.54 0.00 -0.58 -2.12 119.30 115.08 1kee s MET 385 Ca 0.30 -0.50 0.02 0.00 0.00 0.00 0.00 55.69 55.51 1kee s MET 385 Cb -0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 34.83 34.60 1kee s MET 385 CO 0.16 0.02 -0.08 0.00 0.00 0.00 0.00 175.02 175.12 1kee s ALA 386 N -0.98 0.83 -0.10 4.11 0.00 -0.47 -4.79 121.76 120.37 1kee s ALA 386 Ca -0.08 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1kee s ALA 386 Cb -0.07 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1kee s ALA 386 CO -0.00 -0.08 -0.16 0.42 0.00 0.00 0.00 175.76 175.93 1kee s ILE 387 N -2.31 1.53 0.09 0.00 1.01 -1.26 -1.46 121.20 118.80 1kee s ILE 387 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1kee s ILE 387 Cb -0.04 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1kee s ILE 387 CO -0.01 0.44 -0.07 -0.83 0.00 0.00 0.00 174.94 174.47 1kee s GLY 388 N 0.76 0.74 0.22 6.18 0.00 -0.67 -4.68 107.32 109.88 1kee s GLY 388 Ca -0.11 -1.26 0.26 0.00 0.00 0.00 0.00 44.72 43.60 1kee s GLY 388 CO 0.02 -1.36 1.77 0.54 0.00 0.00 0.00 173.10 174.07 1kee n ARG 389 N 0.19 0.27 -4.13 2.90 5.12 -1.26 0.46 116.66 120.21 1kee n ARG 389 Ca -0.14 0.24 -0.09 0.00 -1.93 0.00 0.00 57.85 55.93 1kee n ARG 389 Cb 0.60 -1.82 -0.10 0.00 -1.16 0.00 0.00 32.46 29.98 1kee n ARG 389 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1kee s THR 390 N -3.12 0.45 0.18 0.55 -4.23 -1.26 -4.60 115.64 103.61 1kee s THR 390 Ca 0.10 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 58.64 1kee s THR 390 Cb 0.12 -1.59 0.10 0.00 1.34 0.00 0.00 72.50 72.47 1kee s THR 390 CO 0.58 -0.93 1.77 -0.61 -0.54 0.00 0.00 174.62 174.89 1kee h GLN 391 N 3.08 0.94 -0.54 3.99 5.75 -1.89 0.62 115.11 127.06 1kee h GLN 391 Ca -0.35 -0.14 -0.07 0.00 -0.15 0.00 0.00 58.65 57.94 1kee h GLN 391 Cb 1.15 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 1kee h GLN 391 CO 0.65 0.76 0.05 1.96 -2.65 0.00 0.00 178.83 179.60 1kee h GLN 392 N 0.90 0.91 -0.16 1.69 4.20 -1.95 0.32 115.11 121.03 1kee h GLN 392 Ca 0.22 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1kee h GLN 392 Cb 0.13 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1kee h GLN 392 CO -0.03 0.90 0.01 1.49 -0.67 0.00 0.00 178.83 180.54 1kee h GLU 393 N 0.80 0.28 -0.71 1.46 4.81 -1.53 -1.44 114.58 118.25 1kee h GLU 393 Ca 0.16 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1kee h GLU 393 Cb 0.46 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 1kee h GLU 393 CO 0.02 0.48 0.41 1.03 -0.73 0.00 0.00 179.01 180.22 1kee h SER 394 N 0.04 0.62 -0.13 1.04 0.87 0.54 -0.64 113.55 115.89 1kee h SER 394 Ca 0.05 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1kee h SER 394 Cb 0.35 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1kee h SER 394 CO 0.01 0.40 -0.05 0.25 -0.53 0.00 0.00 176.83 176.90 1kee h LEU 395 N 0.75 0.27 -0.93 2.23 5.85 -0.29 -2.30 115.31 120.88 1kee h LEU 395 Ca 0.31 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 1kee h LEU 395 Cb 0.18 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1kee h LEU 395 CO -0.18 0.61 -0.11 1.56 -0.34 0.00 0.00 178.44 179.98 1kee h GLN 396 N -0.08 0.66 -0.46 1.25 4.20 -1.01 -1.82 115.11 117.84 1kee h GLN 396 Ca 0.03 -0.20 0.02 0.00 0.06 0.00 0.00 58.65 58.55 1kee h GLN 396 Cb 0.51 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1kee h GLN 396 CO 0.02 0.75 0.28 0.87 -0.67 0.00 0.00 178.83 180.08 1kee h LYS 397 N 0.60 0.56 -0.84 1.46 1.57 -1.04 -1.05 116.57 117.83 1kee h LYS 397 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1kee h LYS 397 Cb 0.54 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1kee h LYS 397 CO 0.03 0.37 0.54 0.00 -0.57 0.00 0.00 179.45 179.82 1kee h ALA 398 N 1.19 1.06 -0.64 3.86 0.00 -1.04 -1.50 119.26 122.19 1kee h ALA 398 Ca 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1kee h ALA 398 Cb -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1kee h ALA 398 CO -0.07 0.49 0.34 -0.07 0.00 0.00 0.00 179.25 179.94 1kee h LEU 399 N 1.14 0.81 -0.14 0.00 3.38 -0.74 -1.61 115.31 118.15 1kee h LEU 399 Ca 0.30 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1kee h LEU 399 Cb -0.10 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1kee h LEU 399 CO -0.06 0.68 0.00 -2.11 0.09 0.00 0.00 178.44 177.04 1kee n ARG 400 N -4.53 0.08 0.00 1.13 1.85 -0.45 -2.62 116.66 112.12 1kee n ARG 400 Ca 0.05 0.21 0.11 0.00 -1.00 0.00 0.00 57.85 57.22 1kee n ARG 400 Cb 0.10 -1.62 0.03 0.00 -1.05 0.00 0.00 32.46 29.92 1kee n ARG 400 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1kee n GLY 401 N 0.64 0.33 0.08 2.89 0.00 -0.60 -4.49 105.19 104.04 1kee n GLY 401 Ca 0.05 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.50 1kee n GLY 401 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1kee n LEU 402 N 0.40 0.37 -1.77 0.99 7.94 -0.68 -4.49 117.00 119.75 1kee n LEU 402 Ca 0.11 0.60 -0.15 0.00 -1.11 0.00 0.00 56.01 55.46 1kee n LEU 402 Cb 0.51 -0.56 0.00 0.00 0.53 0.00 0.00 43.42 43.90 1kee n LEU 402 CO 0.24 -0.47 -0.14 -0.62 -1.11 0.00 0.00 177.39 175.30 1kee n GLU 403 N -1.92 -1.74 -0.11 1.96 -0.58 -1.26 -4.81 120.64 112.19 1kee n GLU 403 Ca 0.02 0.68 0.05 0.00 -0.42 0.00 0.00 57.16 57.49 1kee n GLU 403 Cb 0.18 -4.97 0.10 0.00 -0.57 0.00 0.00 31.44 26.18 1kee n GLU 403 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1kee n VAL 404 N -4.04 1.41 -0.92 2.62 0.24 -1.26 -4.95 118.33 111.43 1kee n VAL 404 Ca -0.15 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 60.69 1kee n VAL 404 Cb 0.62 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 1kee n VAL 404 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kee n GLY 405 N -0.58 0.54 3.84 7.63 0.00 -1.26 -5.03 105.19 110.33 1kee n GLY 405 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1kee n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 406 N -2.00 3.72 -1.70 4.61 0.00 -1.26 -4.94 121.76 120.18 1kee s ALA 406 Ca 0.00 -0.26 0.15 0.00 0.00 0.00 0.00 51.96 51.85 1kee s ALA 406 Cb 0.00 -2.35 0.20 0.00 0.00 0.00 0.00 23.12 20.97 1kee s ALA 406 CO 0.00 0.50 1.08 0.25 0.00 0.00 0.00 175.76 177.58 1kee n THR 407 N 1.83 0.28 0.00 0.00 -2.24 -1.26 -4.25 114.28 108.63 1kee n THR 407 Ca -0.15 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1kee n THR 407 Cb 0.53 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1kee n THR 407 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 408 N 0.85 0.24 2.62 3.38 0.00 -1.26 -4.37 105.19 106.65 1kee n GLY 408 Ca 0.11 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1kee n GLY 408 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kee n PHE 409 N 0.00 2.76 -2.30 1.61 3.01 -1.26 -4.88 117.46 116.41 1kee n PHE 409 Ca 0.00 -2.86 -0.38 0.00 1.01 0.00 0.00 57.45 55.23 1kee n PHE 409 Cb 0.00 -2.01 -0.02 0.00 -0.01 0.00 0.00 39.48 37.44 1kee n PHE 409 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1kee s ASP 410 N 0.99 6.39 0.44 4.37 1.01 -1.26 -4.96 116.67 123.64 1kee s ASP 410 Ca 0.50 2.31 -0.24 0.00 0.71 0.00 0.00 52.55 55.83 1kee s ASP 410 Cb 0.15 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.39 1kee s ASP 410 CO -0.05 -0.76 1.17 -2.84 0.21 0.00 0.00 175.17 172.90 1kee s PRO 411 N -2.48 3.86 -0.17 8.23 0.02 -1.26 -4.91 135.00 138.29 1kee s PRO 411 Ca 0.60 1.81 0.08 0.00 0.02 0.00 0.00 61.00 63.51 1kee s PRO 411 Cb -0.29 -2.51 -0.16 0.00 0.02 0.00 0.00 34.50 31.56 1kee s PRO 411 CO 0.36 -0.47 -0.05 1.17 -0.33 0.00 0.00 177.00 177.68 1kee n LYS 412 N -0.28 1.06 -4.27 5.54 3.00 -1.26 -5.01 118.16 116.94 1kee n LYS 412 Ca 0.06 0.05 -0.22 0.00 -0.00 0.00 0.00 58.31 58.19 1kee n LYS 412 Cb 0.47 -1.39 -0.12 0.00 0.00 0.00 0.00 35.03 33.99 1kee n LYS 412 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1kee s VAL 413 N -2.38 1.61 0.56 3.15 -7.23 -1.26 -5.13 120.40 109.71 1kee s VAL 413 Ca -0.16 -1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 58.27 1kee s VAL 413 Cb 0.06 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 1kee s VAL 413 CO 0.55 -0.15 1.04 -0.55 -0.31 0.00 0.00 175.10 175.68 1kee s SER 414 N -2.03 6.02 0.23 4.85 0.15 -1.26 -4.97 113.70 116.69 1kee s SER 414 Ca 0.07 1.82 0.04 0.00 0.70 0.00 0.00 55.95 58.57 1kee s SER 414 Cb -0.09 -2.54 0.24 0.00 -1.71 0.00 0.00 66.02 61.92 1kee s SER 414 CO 0.04 -1.00 1.56 -0.07 1.20 0.00 0.00 173.24 174.97 1kee h LEU 415 N 0.77 0.31 -0.53 3.45 3.38 -2.00 -3.09 115.31 117.60 1kee h LEU 415 Ca -0.47 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1kee h LEU 415 Cb 1.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1kee h LEU 415 CO 0.58 0.83 -0.03 -0.90 0.09 0.00 0.00 178.44 179.01 1kee n ASP 416 N -3.89 0.86 -4.63 -0.43 3.85 -1.26 -4.86 116.55 106.20 1kee n ASP 416 Ca -0.02 -1.17 -0.43 0.00 -0.71 0.00 0.00 54.79 52.46 1kee n ASP 416 Cb 0.61 -0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.35 1kee n ASP 416 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1kee s ASP 417 N -2.11 6.46 0.42 -1.12 3.68 -1.17 -4.90 116.67 117.93 1kee s ASP 417 Ca 0.39 1.38 0.10 0.00 2.13 0.00 0.00 52.55 56.54 1kee s ASP 417 Cb 0.21 -2.54 0.91 0.00 -1.45 0.00 0.00 42.92 40.06 1kee s ASP 417 CO 0.38 -1.23 2.02 -0.65 0.13 0.00 0.00 175.17 175.82 1kee h PRO 418 N 10.31 0.32 -0.02 4.34 0.11 -1.91 -1.07 132.00 144.09 1kee h PRO 418 Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1kee h PRO 418 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1kee h PRO 418 CO 1.02 0.30 -0.02 0.39 -0.21 0.00 0.00 178.00 179.48 1kee n GLU 419 N -4.41 1.74 -0.29 1.05 1.02 -1.26 -4.47 120.64 114.01 1kee n GLU 419 Ca 0.00 -1.12 0.08 0.00 -0.02 0.00 0.00 57.16 56.11 1kee n GLU 419 Cb 0.14 -1.48 0.23 0.00 -0.02 0.00 0.00 31.44 30.32 1kee n GLU 419 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kee h ALA 420 N 4.38 1.28 0.00 0.62 0.00 -1.51 -1.44 119.26 122.59 1kee h ALA 420 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1kee h ALA 420 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1kee h ALA 420 CO 0.00 -0.13 -0.22 -0.07 0.00 0.00 0.00 179.25 178.83 1kee h LEU 421 N 0.58 0.00 -0.34 0.00 3.38 -1.78 -2.01 115.31 115.14 1kee h LEU 421 Ca 0.47 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.29 1kee h LEU 421 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1kee h LEU 421 CO -0.39 0.22 -0.38 0.74 0.09 0.00 0.00 178.44 178.73 1kee h THR 422 N 0.00 1.28 -0.52 0.22 2.02 -1.58 -1.26 112.91 113.08 1kee h THR 422 Ca -0.00 -1.55 -0.10 0.00 0.77 0.00 0.00 66.41 65.52 1kee h THR 422 Cb 0.46 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1kee h THR 422 CO 0.03 0.51 -0.09 0.11 0.37 0.00 0.00 175.52 176.45 1kee h LYS 423 N 0.65 0.97 -0.36 6.66 1.57 -1.32 -2.55 116.57 122.19 1kee h LYS 423 Ca 0.05 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1kee h LYS 423 Cb 0.97 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1kee h LYS 423 CO 0.09 1.02 0.21 0.82 -0.57 0.00 0.00 179.45 181.02 1kee h ILE 424 N 0.83 1.13 -0.67 1.86 2.04 -1.33 -1.79 117.51 119.59 1kee h ILE 424 Ca 0.14 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1kee h ILE 424 Cb 0.64 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1kee h ILE 424 CO 0.04 0.13 0.39 -0.09 0.00 0.00 0.00 178.15 178.63 1kee h ARG 425 N 0.47 0.72 -0.18 2.37 2.43 -1.01 -0.35 114.38 118.82 1kee h ARG 425 Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1kee h ARG 425 Cb 0.03 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1kee h ARG 425 CO -0.02 0.48 0.06 -0.09 -1.51 0.00 0.00 179.97 178.88 1kee h ARG 426 N 0.74 0.28 -0.21 0.20 1.12 -1.25 -0.01 114.38 115.25 1kee h ARG 426 Ca 0.29 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 59.08 1kee h ARG 426 Cb 0.12 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 1kee h ARG 426 CO -0.15 0.39 0.03 0.93 -3.11 0.00 0.00 179.97 178.06 1kee h GLU 427 N 0.12 0.30 0.07 0.20 4.39 -0.96 0.38 114.58 119.08 1kee h GLU 427 Ca 0.06 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 1kee h GLU 427 Cb 0.23 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1kee h GLU 427 CO -0.00 0.30 -0.60 -0.07 -1.16 0.00 0.00 179.01 177.48 1kee h LEU 428 N 0.30 0.40 -0.36 1.33 4.07 -0.88 -3.21 115.31 116.97 1kee h LEU 428 Ca 0.07 -0.88 -0.18 0.00 0.08 0.00 0.00 57.88 56.97 1kee h LEU 428 Cb 0.15 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 1kee h LEU 428 CO -0.00 1.25 -0.55 0.50 -1.08 0.00 0.00 178.44 178.56 1kee h LYS 429 N -0.38 0.79 -3.12 1.13 3.64 -0.68 -3.38 116.57 114.57 1kee h LYS 429 Ca -0.09 -0.50 -0.62 0.00 -1.27 0.00 0.00 60.65 58.16 1kee h LYS 429 Cb 1.40 0.06 -0.41 0.00 -0.41 0.00 0.00 32.23 32.87 1kee h LYS 429 CO 0.11 1.13 -0.63 -0.51 -2.27 0.00 0.00 179.45 177.28 1kee s ASP 430 N -6.95 4.31 0.30 4.20 1.11 0.13 -4.90 116.67 114.88 1kee s ASP 430 Ca -0.10 -3.42 -0.28 0.00 0.18 0.00 0.00 52.55 48.93 1kee s ASP 430 Cb 0.10 -1.49 -0.14 0.00 1.07 0.00 0.00 42.92 42.46 1kee s ASP 430 CO 0.88 -0.15 1.07 0.00 1.18 0.00 0.00 175.17 178.14 1kee n ALA 431 N 2.54 0.06 -3.89 5.23 0.00 -1.21 -4.53 120.51 118.71 1kee n ALA 431 Ca 0.15 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1kee n ALA 431 Cb 0.35 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1kee n ALA 431 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 432 N 1.16 4.24 0.00 0.00 0.00 -1.26 -0.36 105.19 108.97 1kee n GLY 432 Ca 0.09 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 44.09 1kee n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee n ALA 433 N -3.00 2.30 1.13 4.61 0.00 -1.26 -3.10 120.51 121.18 1kee n ALA 433 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1kee n ALA 433 Cb 0.00 -1.45 0.19 0.00 0.00 0.00 0.00 19.45 18.19 1kee n ALA 433 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1kee n ASP 434 N -1.46 2.25 -0.34 0.00 9.92 -1.26 -4.56 116.55 121.09 1kee n ASP 434 Ca 0.08 -1.66 0.17 0.00 -0.53 0.00 0.00 54.79 52.84 1kee n ASP 434 Cb 0.31 0.13 0.37 0.00 -0.64 0.00 0.00 41.12 41.29 1kee n ASP 434 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1kee h ARG 435 N 3.31 0.58 -0.86 -1.24 2.43 -1.82 -0.80 114.38 115.97 1kee h ARG 435 Ca 0.00 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.26 1kee h ARG 435 Cb 0.79 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 1kee h ARG 435 CO 0.00 0.38 0.56 0.97 -1.51 0.00 0.00 179.97 180.37 1kee h ILE 436 N 0.59 0.89 -0.14 1.20 6.09 -1.87 -0.94 117.51 123.34 1kee h ILE 436 Ca 0.63 -0.25 -0.17 0.00 -1.37 0.00 0.00 64.86 63.70 1kee h ILE 436 Cb 1.18 0.09 0.01 0.00 0.47 0.00 0.00 36.82 38.56 1kee h ILE 436 CO -0.47 0.14 -0.56 -0.50 -3.07 0.00 0.00 178.15 173.69 1kee h TRP 437 N 0.74 0.83 0.00 2.19 6.55 -1.50 -3.14 115.95 121.62 1kee h TRP 437 Ca 0.42 -0.35 -0.02 0.00 0.95 0.00 0.00 58.89 59.88 1kee h TRP 437 Cb 0.58 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 28.74 1kee h TRP 437 CO -0.00 1.15 -0.12 1.88 -1.05 0.00 0.00 178.44 180.29 1kee h TYR 438 N 0.28 0.00 -0.37 0.49 -1.99 -1.16 -1.81 116.97 112.41 1kee h TYR 438 Ca -0.03 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.64 1kee h TYR 438 Cb 1.19 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.91 1kee h TYR 438 CO 0.10 0.12 -0.01 0.82 -0.00 0.00 0.00 178.16 179.19 1kee h ILE 439 N 0.00 1.26 -0.52 -2.88 2.04 -1.14 -0.45 117.51 115.82 1kee h ILE 439 Ca -0.00 -1.02 -0.07 0.00 1.00 0.00 0.00 64.86 64.77 1kee h ILE 439 Cb 0.27 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1kee h ILE 439 CO 0.02 0.34 0.05 0.00 0.00 0.00 0.00 178.15 178.56 1kee h ALA 440 N 0.86 0.69 -0.03 1.87 0.00 -1.52 -1.86 119.26 119.27 1kee h ALA 440 Ca 0.10 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1kee h ALA 440 Cb 0.49 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1kee h ALA 440 CO 0.02 0.46 0.03 -0.44 0.00 0.00 0.00 179.25 179.32 1kee h ASP 441 N 0.76 0.00 -0.14 0.00 3.45 -1.10 -1.05 116.42 118.34 1kee h ASP 441 Ca 0.15 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.57 1kee h ASP 441 Cb 0.45 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1kee h ASP 441 CO 0.02 0.00 -0.10 0.00 -1.57 0.00 0.00 179.24 177.59 1kee h ALA 442 N 1.97 0.19 -0.74 3.45 0.00 -0.24 -1.98 119.26 121.91 1kee h ALA 442 Ca 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1kee h ALA 442 Cb 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1kee h ALA 442 CO -0.00 0.03 0.34 0.74 0.00 0.00 0.00 179.25 180.36 1kee h PHE 443 N -0.06 1.09 -0.74 0.00 0.04 -0.96 -1.06 116.94 115.26 1kee h PHE 443 Ca 0.03 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1kee h PHE 443 Cb 0.60 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 1kee h PHE 443 CO 0.08 0.82 0.46 0.00 -0.60 0.00 0.00 178.31 179.06 1kee h ARG 444 N 1.05 0.99 -0.01 1.51 3.08 -1.23 -2.20 114.38 117.58 1kee h ARG 444 Ca 0.25 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1kee h ARG 444 Cb 0.15 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1kee h ARG 444 CO -0.03 0.68 0.00 0.00 -1.07 0.00 0.00 179.97 179.55 1kee n ALA 445 N -2.42 2.62 -0.56 0.04 0.00 -0.75 -4.91 120.51 114.53 1kee n ALA 445 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1kee n ALA 445 Cb 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1kee n ALA 445 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 446 N 0.87 0.70 3.84 0.00 0.00 -0.83 -5.05 105.19 104.73 1kee n GLY 446 Ca 0.17 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1kee n GLY 446 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kee s LEU 447 N 0.00 3.81 0.36 0.99 1.43 -0.47 -5.01 118.68 119.80 1kee s LEU 447 Ca 0.00 1.51 -0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1kee s LEU 447 Cb 0.00 -4.39 -0.03 0.00 0.03 0.00 0.00 46.19 41.80 1kee s LEU 447 CO 0.00 -0.44 0.58 -0.94 0.23 0.00 0.00 176.35 175.78 1kee s SER 448 N -2.69 6.29 0.29 2.29 1.04 -1.26 -4.43 113.70 115.23 1kee s SER 448 Ca 0.58 0.52 0.03 0.00 0.48 0.00 0.00 55.95 57.56 1kee s SER 448 Cb -0.10 -2.06 0.64 0.00 0.10 0.00 0.00 66.02 64.60 1kee s SER 448 CO 0.24 -0.33 1.78 0.58 0.98 0.00 0.00 173.24 176.49 1kee h VAL 449 N 0.69 0.75 -0.39 5.02 2.07 -1.96 0.18 116.25 122.61 1kee h VAL 449 Ca -0.49 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 1kee h VAL 449 Cb 1.22 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1kee h VAL 449 CO 0.61 0.14 0.03 0.44 0.02 0.00 0.00 177.57 178.82 1kee h ASP 450 N 0.76 0.64 -0.58 0.57 3.45 -1.98 0.23 116.42 119.51 1kee h ASP 450 Ca 0.53 -0.28 -0.07 0.00 0.43 0.00 0.00 57.03 57.63 1kee h ASP 450 Cb 0.76 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.33 1kee h ASP 450 CO -0.36 0.77 0.08 1.23 -1.57 0.00 0.00 179.24 179.39 1kee h GLY 451 N 0.50 1.08 1.07 2.75 0.00 -1.43 0.73 103.07 107.77 1kee h GLY 451 Ca 0.11 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 1kee h GLY 451 CO 0.01 0.65 0.08 -2.08 0.00 0.00 0.00 176.54 175.21 1kee h VAL 452 N 0.94 1.26 -0.35 4.60 2.07 -0.52 -2.56 116.25 121.69 1kee h VAL 452 Ca 0.19 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 1kee h VAL 452 Cb 0.43 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1kee h VAL 452 CO 0.01 0.40 0.10 0.15 0.02 0.00 0.00 177.57 178.25 1kee h PHE 453 N 1.02 0.58 -0.07 1.57 3.04 -0.54 -0.09 116.94 122.45 1kee h PHE 453 Ca 0.20 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 1kee h PHE 453 Cb 0.47 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 1kee h PHE 453 CO 0.04 0.57 -0.00 -0.91 -2.02 0.00 0.00 178.31 175.98 1kee h ASN 454 N 0.42 0.09 0.34 0.41 2.35 -0.64 0.15 115.58 118.69 1kee h ASN 454 Ca 0.11 -0.01 -0.33 0.00 -0.55 0.00 0.00 56.30 55.53 1kee h ASN 454 Cb 0.27 -0.02 0.02 0.00 0.05 0.00 0.00 38.32 38.64 1kee h ASN 454 CO -0.00 0.11 -1.49 -0.07 -1.65 0.00 0.00 177.43 174.33 1kee h LEU 455 N 0.10 0.69 0.00 1.61 3.38 -1.07 -3.40 115.31 116.62 1kee h LEU 455 Ca 0.02 -0.80 -0.29 0.00 0.09 0.00 0.00 57.88 56.91 1kee h LEU 455 Cb 0.08 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1kee h LEU 455 CO 0.00 1.64 -2.23 0.35 0.09 0.00 0.00 178.44 178.29 1kee n THR 456 N -3.64 1.07 -1.02 0.22 -2.24 -0.08 -4.18 114.28 104.42 1kee n THR 456 Ca -0.17 -0.74 -0.01 0.00 -2.27 0.00 0.00 64.05 60.86 1kee n THR 456 Cb 1.08 -0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1kee n THR 456 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1kee n ASN 457 N -2.61 -4.31 -4.70 3.42 5.03 0.51 -4.67 115.26 107.93 1kee n ASN 457 Ca -0.26 0.01 -0.42 0.00 0.87 0.00 0.00 54.58 54.78 1kee n ASN 457 Cb 1.01 -1.86 -0.03 0.00 -1.02 0.00 0.00 39.78 37.89 1kee n ASN 457 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1kee s ILE 458 N -1.61 4.59 0.13 2.41 1.01 -1.26 -4.63 121.20 121.84 1kee s ILE 458 Ca 0.00 1.87 -0.35 0.00 0.00 0.00 0.00 60.65 62.17 1kee s ILE 458 Cb 0.00 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 38.11 1kee s ILE 458 CO 0.00 0.10 1.26 -0.67 0.00 0.00 0.00 174.94 175.63 1kee n ASP 459 N 4.31 1.53 -0.08 3.58 2.03 -1.26 -4.75 116.55 121.91 1kee n ASP 459 Ca 0.08 1.13 0.24 0.00 0.52 0.00 0.00 54.79 56.76 1kee n ASP 459 Cb 0.49 -1.21 0.71 0.00 -0.72 0.00 0.00 41.12 40.39 1kee n ASP 459 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1kee h ARG 460 N 4.01 0.00 -0.89 -0.67 3.08 -1.94 -0.73 114.38 117.24 1kee h ARG 460 Ca -0.45 0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.75 1kee h ARG 460 Cb 1.34 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.32 1kee h ARG 460 CO 0.74 0.00 0.58 2.35 -1.07 0.00 0.00 179.97 182.57 1kee h TRP 461 N 0.00 0.76 0.12 3.04 7.01 -2.01 -0.14 115.95 124.73 1kee h TRP 461 Ca 0.33 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 61.20 1kee h TRP 461 Cb 1.38 -0.24 0.02 0.00 -2.10 0.00 0.00 29.16 28.21 1kee h TRP 461 CO 0.00 0.26 -0.67 0.74 -2.79 0.00 0.00 178.44 175.98 1kee h PHE 462 N 0.63 0.45 -0.77 2.65 0.04 -1.48 -3.36 116.94 115.10 1kee h PHE 462 Ca 0.46 -0.33 0.02 0.00 2.80 0.00 0.00 57.97 60.91 1kee h PHE 462 Cb 0.82 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 1kee h PHE 462 CO -0.00 1.26 0.51 -0.07 -0.60 0.00 0.00 178.31 179.41 1kee h LEU 463 N -0.48 0.86 -1.18 1.54 3.38 -1.16 -2.09 115.31 116.18 1kee h LEU 463 Ca -0.12 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1kee h LEU 463 Cb 1.53 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 1kee h LEU 463 CO 0.13 0.61 0.00 -0.37 0.09 0.00 0.00 178.44 178.90 1kee h VAL 464 N 1.00 1.20 -0.51 1.22 -1.51 -1.22 -1.37 116.25 115.07 1kee h VAL 464 Ca 0.29 -0.82 -0.07 0.00 -1.23 0.00 0.00 66.70 64.88 1kee h VAL 464 Cb -0.05 0.93 -0.02 0.00 -2.13 0.00 0.00 31.29 30.01 1kee h VAL 464 CO -0.07 0.28 0.03 1.56 -1.23 0.00 0.00 177.57 178.14 1kee h GLN 465 N 0.55 0.84 -0.34 5.19 4.20 -1.53 -0.93 115.11 123.07 1kee h GLN 465 Ca 0.12 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 1kee h GLN 465 Cb 0.34 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1kee h GLN 465 CO 0.01 0.82 -0.21 0.82 -0.67 0.00 0.00 178.83 179.60 1kee h ILE 466 N 0.78 1.29 -0.39 2.54 2.04 -1.27 -2.10 117.51 120.40 1kee h ILE 466 Ca 0.16 -1.35 0.04 0.00 1.00 0.00 0.00 64.86 64.71 1kee h ILE 466 Cb 0.43 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1kee h ILE 466 CO 0.02 0.44 0.17 -0.08 0.00 0.00 0.00 178.15 178.70 1kee h GLU 467 N 0.53 0.34 -0.20 2.37 4.81 -0.92 -1.34 114.58 120.18 1kee h GLU 467 Ca 0.07 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1kee h GLU 467 Cb 0.76 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.01 1kee h GLU 467 CO 0.06 0.23 -0.12 1.49 -0.73 0.00 0.00 179.01 179.94 1kee h GLU 468 N 0.36 -0.10 -0.98 1.92 4.81 -1.00 -1.34 114.58 118.24 1kee h GLU 468 Ca 0.17 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.56 1kee h GLU 468 Cb 0.11 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.43 1kee h GLU 468 CO -0.14 -0.07 0.61 -0.07 -0.73 0.00 0.00 179.01 178.61 1kee h LEU 469 N -0.11 0.81 -0.89 1.64 3.38 -0.75 -0.90 115.31 118.48 1kee h LEU 469 Ca 0.11 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1kee h LEU 469 Cb 0.28 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1kee h LEU 469 CO -0.27 0.38 0.13 0.58 0.09 0.00 0.00 178.44 179.35 1kee h VAL 470 N 0.84 1.24 -0.23 1.22 2.07 -0.19 -0.25 116.25 120.95 1kee h VAL 470 Ca 0.51 -0.91 -0.14 0.00 0.82 0.00 0.00 66.70 66.98 1kee h VAL 470 Cb 0.69 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1kee h VAL 470 CO -0.28 0.34 -0.45 0.03 0.02 0.00 0.00 177.57 177.23 1kee h ARG 471 N 0.91 0.58 -0.26 1.57 2.47 -0.43 -1.80 114.38 117.41 1kee h ARG 471 Ca 0.19 -0.32 -0.16 0.00 -1.26 0.00 0.00 59.98 58.44 1kee h ARG 471 Cb 0.35 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1kee h ARG 471 CO 0.00 0.91 -0.48 -0.07 0.56 0.00 0.00 179.97 180.90 1kee h LEU 472 N 0.47 0.77 -0.79 3.04 3.38 -0.97 -2.46 115.31 118.74 1kee h LEU 472 Ca 0.03 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.67 1kee h LEU 472 Cb 0.97 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1kee h LEU 472 CO 0.09 1.12 0.48 -0.33 0.09 0.00 0.00 178.44 179.88 1kee h GLU 473 N 0.56 0.87 -0.44 1.13 5.08 -0.76 -1.67 114.58 119.34 1kee h GLU 473 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1kee h GLU 473 Cb 1.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1kee h GLU 473 CO 0.10 0.57 0.29 0.93 -1.00 0.00 0.00 179.01 179.90 1kee h GLU 474 N 0.89 0.58 -0.14 2.33 5.08 -1.00 -1.45 114.58 120.87 1kee h GLU 474 Ca 0.34 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1kee h GLU 474 Cb 0.13 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1kee h GLU 474 CO -0.16 0.38 -0.07 -0.22 -1.00 0.00 0.00 179.01 177.94 1kee h LYS 475 N 0.59 -0.06 -0.46 2.33 3.64 -1.00 -1.80 116.57 119.80 1kee h LYS 475 Ca 0.16 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.64 1kee h LYS 475 Cb -0.07 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 31.67 1kee h LYS 475 CO -0.03 -0.04 -0.28 0.28 -2.27 0.00 0.00 179.45 177.11 1kee h VAL 476 N -0.06 0.28 -0.98 2.00 2.07 -0.88 0.16 116.25 118.84 1kee h VAL 476 Ca 0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.73 1kee h VAL 476 Cb 0.18 0.28 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 1kee h VAL 476 CO -0.18 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.01 1kee h ALA 477 N 1.01 1.48 0.45 1.67 0.00 -0.97 0.60 119.26 123.49 1kee h ALA 477 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1kee h ALA 477 Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1kee h ALA 477 CO -0.56 0.17 -0.21 1.49 0.00 0.00 0.00 179.25 180.13 1kee h GLU 478 N 0.93 -0.58 -0.06 0.00 4.81 -0.07 -3.34 114.58 116.28 1kee h GLU 478 Ca 0.49 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.74 1kee h GLU 478 Cb 0.53 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1kee h GLU 478 CO -0.28 -0.39 -0.09 -0.39 -0.73 0.00 0.00 179.01 177.13 1kee h VAL 479 N -1.14 1.10 -1.23 0.32 -1.51 -0.70 -3.49 116.25 109.60 1kee h VAL 479 Ca -0.06 -0.45 0.10 0.00 -1.23 0.00 0.00 66.70 65.06 1kee h VAL 479 Cb 0.46 1.16 -0.03 0.00 -2.13 0.00 0.00 31.29 30.76 1kee h VAL 479 CO 0.10 0.14 -0.13 0.61 -1.23 0.00 0.00 177.57 177.05 1kee n GLY 480 N -1.17 -1.87 0.29 5.19 0.00 0.19 -2.86 105.19 104.97 1kee n GLY 480 Ca -0.02 -1.31 0.13 0.00 0.00 0.00 0.00 46.02 44.82 1kee n GLY 480 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1kee h ILE 481 N -0.35 0.69 -0.01 -0.61 2.10 -1.85 -1.60 117.51 115.88 1kee h ILE 481 Ca 0.01 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.96 1kee h ILE 481 Cb 0.34 0.99 -0.01 0.00 -1.09 0.00 0.00 36.82 37.05 1kee h ILE 481 CO 0.00 0.00 -0.05 0.74 -1.08 0.00 0.00 178.15 177.76 1kee h THR 482 N 0.00 0.87 0.00 2.19 2.02 -1.96 -2.42 112.91 113.61 1kee h THR 482 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1kee h THR 482 Cb 0.02 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1kee h THR 482 CO -0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1kee n GLY 483 N -1.16 -0.66 2.46 2.16 0.00 -0.61 -4.25 105.19 103.13 1kee n GLY 483 Ca -0.06 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1kee n GLY 483 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kee n LEU 484 N -1.62 8.13 -4.75 0.99 4.77 -0.91 -4.89 117.00 118.71 1kee n LEU 484 Ca 0.01 -4.38 -0.30 0.00 -0.03 0.00 0.00 56.01 51.31 1kee n LEU 484 Cb 0.04 -1.56 0.12 0.00 -2.33 0.00 0.00 43.42 39.69 1kee n LEU 484 CO 0.04 1.80 0.69 0.54 -1.33 0.00 0.00 177.39 179.13 1kee s ASN 485 N 2.19 3.88 0.48 -1.43 2.20 -1.26 -4.68 114.94 116.31 1kee s ASN 485 Ca 0.61 1.39 0.15 0.00 -0.94 0.00 0.00 52.86 54.07 1kee s ASN 485 Cb 0.17 -2.09 1.14 0.00 -2.00 0.00 0.00 41.25 38.47 1kee s ASN 485 CO -0.07 -2.37 2.07 0.00 -2.94 0.00 0.00 177.10 173.79 1kee h ALA 486 N -1.37 2.01 -0.19 3.54 0.00 -1.97 -0.28 119.26 121.00 1kee h ALA 486 Ca -0.49 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 1kee h ALA 486 Cb 1.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1kee h ALA 486 CO 0.57 -0.07 -0.47 -0.44 0.00 0.00 0.00 179.25 178.84 1kee h ASP 487 N 0.23 0.54 0.13 0.00 3.32 -1.97 -2.61 116.42 116.06 1kee h ASP 487 Ca 0.14 -0.26 -0.25 0.00 0.02 0.00 0.00 57.03 56.68 1kee h ASP 487 Cb 0.26 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.67 1kee h ASP 487 CO -0.03 0.93 -1.20 0.15 -1.72 0.00 0.00 179.24 177.37 1kee h PHE 488 N 0.40 0.51 -0.86 4.55 3.57 -1.77 -2.94 116.94 120.40 1kee h PHE 488 Ca 0.02 -0.37 0.08 0.00 3.53 0.00 0.00 57.97 61.23 1kee h PHE 488 Cb 0.98 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.63 1kee h PHE 488 CO 0.04 1.47 0.52 1.25 -2.23 0.00 0.00 178.31 179.35 1kee h LEU 489 N -0.30 0.79 -0.73 0.59 5.85 -1.15 0.28 115.31 120.64 1kee h LEU 489 Ca -0.24 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1kee h LEU 489 Cb 1.74 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 1kee h LEU 489 CO 0.10 0.48 0.35 -0.09 -0.34 0.00 0.00 178.44 178.94 1kee h ARG 490 N 0.91 1.05 -0.16 1.25 2.43 -1.54 0.82 114.38 119.14 1kee h ARG 490 Ca 0.40 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1kee h ARG 490 Cb 0.27 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1kee h ARG 490 CO -0.21 0.82 0.09 0.37 -1.51 0.00 0.00 179.97 179.54 1kee h GLN 491 N 1.02 0.21 -0.41 0.20 4.15 -1.08 -0.35 115.11 118.85 1kee h GLN 491 Ca 0.25 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.70 1kee h GLN 491 Cb 0.12 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 1kee h GLN 491 CO -0.03 0.19 0.15 -0.07 -1.93 0.00 0.00 178.83 177.14 1kee h LEU 492 N 0.17 0.17 -0.80 -2.39 3.38 -0.22 -1.92 115.31 113.71 1kee h LEU 492 Ca 0.06 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1kee h LEU 492 Cb 0.03 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1kee h LEU 492 CO -0.01 0.13 0.53 0.11 0.09 0.00 0.00 178.44 179.29 1kee h LYS 493 N 0.32 1.05 0.00 1.13 1.79 -0.65 -1.22 116.57 118.98 1kee h LYS 493 Ca 0.19 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1kee h LYS 493 Cb 0.17 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1kee h LYS 493 CO -0.19 0.69 -0.02 0.00 -1.08 0.00 0.00 179.45 178.86 1kee h ARG 494 N 1.08 0.00 -0.15 3.15 3.08 -0.30 -0.79 114.38 120.45 1kee h ARG 494 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1kee h ARG 494 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1kee h ARG 494 CO -0.06 0.02 0.00 1.63 -1.07 0.00 0.00 179.97 180.48 1kee n LYS 495 N -3.18 1.58 -0.53 0.04 4.76 -0.50 -4.54 118.16 115.79 1kee n LYS 495 Ca -0.02 -0.88 0.00 0.00 -2.87 0.00 0.00 58.31 54.54 1kee n LYS 495 Cb 0.16 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1kee n LYS 495 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kee n GLY 496 N 1.04 0.75 3.73 0.72 0.00 -0.30 -3.66 105.19 107.47 1kee n GLY 496 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1kee n GLY 496 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kee s PHE 497 N -2.34 3.12 0.25 1.61 0.08 -0.94 -4.41 117.98 115.34 1kee s PHE 497 Ca 0.00 0.97 -0.19 0.00 0.12 0.00 0.00 56.93 57.83 1kee s PHE 497 Cb 0.00 -3.77 -0.08 0.00 -0.57 0.00 0.00 43.02 38.60 1kee s PHE 497 CO 0.00 -2.61 0.74 0.00 -0.10 0.00 0.00 175.22 173.25 1kee s ALA 498 N 0.48 3.38 0.19 5.36 0.00 -1.26 -4.62 121.76 125.29 1kee s ALA 498 Ca 0.62 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 1kee s ALA 498 Cb -0.40 -2.83 0.16 0.00 0.00 0.00 0.00 23.12 20.05 1kee s ALA 498 CO 0.37 0.32 1.65 -0.44 0.00 0.00 0.00 175.76 177.66 1kee h ASP 499 N 3.20 -0.45 -0.96 0.00 3.45 -1.93 0.47 116.42 120.20 1kee h ASP 499 Ca -0.48 0.15 0.15 0.00 0.43 0.00 0.00 57.03 57.28 1kee h ASP 499 Cb 1.19 0.30 -0.09 0.00 -0.56 0.00 0.00 39.33 40.17 1kee h ASP 499 CO 0.65 -0.16 0.58 0.00 -1.57 0.00 0.00 179.24 178.74 1kee h ALA 500 N 1.50 1.49 -0.08 3.45 0.00 -1.93 0.32 119.26 124.02 1kee h ALA 500 Ca 0.24 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1kee h ALA 500 Cb 0.37 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1kee h ALA 500 CO -0.51 0.07 -0.09 -0.09 0.00 0.00 0.00 179.25 178.63 1kee h ARG 501 N 0.84 0.20 -0.84 0.00 9.65 -1.20 -2.76 114.38 120.26 1kee h ARG 501 Ca 0.51 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 59.26 1kee h ARG 501 Cb 0.64 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.19 1kee h ARG 501 CO -0.32 0.65 0.45 -0.07 2.80 0.00 0.00 179.97 183.47 1kee h LEU 502 N -0.24 1.06 -0.62 3.80 3.38 -0.66 -2.54 115.31 119.49 1kee h LEU 502 Ca 0.01 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1kee h LEU 502 Cb 0.62 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1kee h LEU 502 CO 0.02 0.86 0.40 0.00 0.09 0.00 0.00 178.44 179.82 1kee h ALA 503 N 1.30 0.79 -0.70 1.53 0.00 -0.32 -0.71 119.26 121.15 1kee h ALA 503 Ca 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1kee h ALA 503 Cb 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1kee h ALA 503 CO -0.04 0.19 0.46 0.87 0.00 0.00 0.00 179.25 180.73 1kee h LYS 504 N 0.81 0.92 -0.56 0.00 1.57 -1.16 0.17 116.57 118.31 1kee h LYS 504 Ca 0.23 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1kee h LYS 504 Cb -0.06 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 1kee h LYS 504 CO -0.07 0.61 0.16 -0.07 -0.57 0.00 0.00 179.45 179.51 1kee h LEU 505 N 0.95 0.79 -0.31 2.94 3.38 -1.12 -2.81 115.31 119.13 1kee h LEU 505 Ca 0.26 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1kee h LEU 505 Cb -0.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1kee h LEU 505 CO -0.06 0.76 -0.38 0.00 0.09 0.00 0.00 178.44 178.86 1kee n ALA 506 N -2.46 3.33 -2.50 1.53 0.00 -0.32 -4.13 120.51 115.95 1kee n ALA 506 Ca 0.04 -0.40 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 1kee n ALA 506 Cb 0.21 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.57 1kee n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 507 N 1.41 0.01 2.72 0.00 0.00 0.44 -4.30 105.19 105.46 1kee n GLY 507 Ca 0.09 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1kee n GLY 507 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1kee n VAL 508 N -3.94 0.00 -3.31 1.61 0.24 -0.33 -5.02 118.33 107.58 1kee n VAL 508 Ca -0.08 -1.67 -0.33 0.00 -2.04 0.00 0.00 64.34 60.22 1kee n VAL 508 Cb 0.58 0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.98 1kee n VAL 508 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1kee s ARG 509 N -3.49 3.92 0.42 7.34 0.52 -1.26 -4.42 118.95 121.97 1kee s ARG 509 Ca 0.12 0.46 0.12 0.00 -0.52 0.00 0.00 55.73 55.91 1kee s ARG 509 Cb -0.01 -2.66 0.97 0.00 0.52 0.00 0.00 34.95 33.77 1kee s ARG 509 CO 0.07 0.31 1.97 1.49 0.02 0.00 0.00 175.30 179.17 1kee h GLU 510 N 2.71 0.47 -0.38 3.54 4.81 -1.90 -0.39 114.58 123.44 1kee h GLU 510 Ca -0.48 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 1kee h GLU 510 Cb 1.18 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1kee h GLU 510 CO 0.67 0.31 0.05 0.00 -0.73 0.00 0.00 179.01 179.31 1kee h ALA 511 N 1.68 1.37 -0.74 2.92 0.00 -1.93 -0.47 119.26 122.10 1kee h ALA 511 Ca 0.29 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1kee h ALA 511 Cb 0.48 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1kee h ALA 511 CO -0.08 0.44 0.48 0.93 0.00 0.00 0.00 179.25 181.02 1kee h GLU 512 N 0.56 0.98 -0.38 0.00 5.08 -1.45 0.73 114.58 120.10 1kee h GLU 512 Ca 0.12 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1kee h GLU 512 Cb 0.29 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1kee h GLU 512 CO 0.00 0.66 -0.29 0.82 -1.00 0.00 0.00 179.01 179.20 1kee h ILE 513 N 1.01 1.28 -0.52 3.13 1.08 -1.35 -1.38 117.51 120.75 1kee h ILE 513 Ca 0.27 -1.44 -0.05 0.00 -0.39 0.00 0.00 64.86 63.25 1kee h ILE 513 Cb -0.10 1.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 1kee h ILE 513 CO -0.06 0.48 0.12 -0.09 -0.69 0.00 0.00 178.15 177.92 1kee h ARG 514 N 0.70 0.83 -0.15 2.37 2.43 -0.08 -1.70 114.38 118.79 1kee h ARG 514 Ca 0.08 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1kee h ARG 514 Cb 0.83 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1kee h ARG 514 CO 0.07 0.79 0.10 0.87 -1.51 0.00 0.00 179.97 180.29 1kee h LYS 515 N 0.72 0.19 -1.01 0.20 1.57 0.60 -1.80 116.57 117.05 1kee h LYS 515 Ca 0.16 -0.01 0.22 0.00 -1.87 0.00 0.00 60.65 59.15 1kee h LYS 515 Cb 0.34 -0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.49 1kee h LYS 515 CO 0.00 0.13 0.61 1.25 -0.57 0.00 0.00 179.45 180.88 1kee h LEU 516 N 0.19 0.69 -0.36 2.94 5.85 -1.06 0.31 115.31 123.88 1kee h LEU 516 Ca 0.05 0.11 -0.19 0.00 0.84 0.00 0.00 57.88 58.69 1kee h LEU 516 Cb -0.02 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1kee h LEU 516 CO -0.01 0.18 -0.76 0.03 -0.34 0.00 0.00 178.44 177.54 1kee h ARG 517 N 0.64 0.43 -0.82 1.25 3.08 -0.68 -2.43 114.38 115.85 1kee h ARG 517 Ca 0.61 -0.37 0.03 0.00 0.07 0.00 0.00 59.98 60.32 1kee h ARG 517 Cb 1.11 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 31.19 1kee h ARG 517 CO -0.41 1.01 0.52 -0.44 -1.07 0.00 0.00 179.97 179.59 1kee h ASP 518 N 0.29 0.87 0.49 7.04 3.32 0.30 0.74 116.42 129.46 1kee h ASP 518 Ca -0.04 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1kee h ASP 518 Cb 1.35 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1kee h ASP 518 CO 0.13 0.59 -0.45 -0.61 -1.72 0.00 0.00 179.24 177.18 1kee h GLN 519 N 1.02 -0.91 0.00 3.56 4.15 -0.79 -1.74 115.11 120.41 1kee h GLN 519 Ca 0.33 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1kee h GLN 519 Cb 0.02 0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1kee h GLN 519 CO -0.12 -0.60 0.00 0.66 -1.93 0.00 0.00 178.83 176.84 1kee n TYR 520 N -5.54 0.00 -3.68 3.99 4.01 -0.93 -4.83 117.16 110.19 1kee n TYR 520 Ca -0.12 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.40 1kee n TYR 520 Cb 0.44 -0.11 0.05 0.00 -0.31 0.00 0.00 39.34 39.40 1kee n TYR 520 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1kee n ASP 521 N -1.11 -2.37 -4.29 7.72 4.64 0.23 -4.92 116.55 116.45 1kee n ASP 521 Ca 0.11 -0.75 -0.45 0.00 -1.38 0.00 0.00 54.79 52.32 1kee n ASP 521 Cb 0.09 -4.29 -0.05 0.00 -1.04 0.00 0.00 41.12 35.83 1kee n ASP 521 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1kee s LEU 522 N -6.78 6.23 0.10 -2.67 2.96 0.23 -5.01 118.68 113.74 1kee s LEU 522 Ca 0.17 -2.15 0.03 0.00 -0.22 0.00 0.00 54.13 51.96 1kee s LEU 522 Cb -0.08 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1kee s LEU 522 CO 0.79 -0.72 -0.09 -1.00 -1.32 0.00 0.00 176.35 174.02 1kee s HIS 523 N 1.03 1.04 0.97 5.38 3.76 -1.26 -4.59 115.29 121.61 1kee s HIS 523 Ca 0.09 -0.74 -0.14 0.00 -0.15 0.00 0.00 55.06 54.12 1kee s HIS 523 Cb -0.23 -0.57 0.17 0.00 1.11 0.00 0.00 32.58 33.07 1kee s HIS 523 CO -0.02 -0.03 1.15 -1.25 -0.85 0.00 0.00 174.74 173.75 1kee s PRO 524 N -3.21 0.69 0.33 8.40 0.04 -1.26 -4.84 135.00 135.15 1kee s PRO 524 Ca 0.09 0.18 0.09 0.00 0.04 0.00 0.00 61.00 61.39 1kee s PRO 524 Cb 0.00 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 1kee s PRO 524 CO -0.01 -2.48 -0.10 0.14 0.04 0.00 0.00 177.00 174.59 1kee s VAL 525 N -3.29 2.16 -0.15 -0.36 -7.23 0.25 -4.92 120.40 106.87 1kee s VAL 525 Ca 0.66 -2.20 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1kee s VAL 525 Cb -0.13 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.22 1kee s VAL 525 CO 0.54 -0.23 -0.20 -0.31 -0.31 0.00 0.00 175.10 174.60 1kee s TYR 526 N -2.67 2.71 0.41 2.82 2.02 -1.26 -1.39 117.35 119.99 1kee s TYR 526 Ca 0.32 -1.26 0.08 0.00 -0.37 0.00 0.00 57.07 55.83 1kee s TYR 526 Cb 0.02 -1.85 -0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1kee s TYR 526 CO 0.16 -0.58 0.49 0.15 -1.57 0.00 0.00 175.55 174.20 1kee s LYS 527 N 0.85 2.77 0.27 -0.62 -0.14 -0.88 0.71 119.74 122.69 1kee s LYS 527 Ca -0.06 -1.31 0.11 0.00 -1.36 0.00 0.00 55.97 53.36 1kee s LYS 527 Cb -0.15 -2.64 -0.05 0.00 -1.68 0.00 0.00 37.83 33.31 1kee s LYS 527 CO -0.02 -0.20 -0.19 1.03 -0.76 0.00 0.00 175.35 175.21 1kee s ARG 528 N -4.25 1.62 -0.10 1.68 0.52 -1.26 -2.19 118.95 114.98 1kee s ARG 528 Ca 0.51 -1.74 -0.16 0.00 -0.52 0.00 0.00 55.73 53.83 1kee s ARG 528 Cb -0.08 -1.68 -0.05 0.00 0.52 0.00 0.00 34.95 33.67 1kee s ARG 528 CO 0.31 0.31 0.40 0.08 0.02 0.00 0.00 175.30 176.42 1kee s VAL 529 N -2.55 5.19 0.00 3.52 1.01 0.07 -4.94 120.40 122.69 1kee s VAL 529 Ca 0.29 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1kee s VAL 529 Cb -0.04 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1kee s VAL 529 CO 0.14 0.41 0.00 -0.90 0.00 0.00 0.00 175.10 174.75 1kee n ASP 530 N 3.17 0.00 0.00 3.32 5.68 -1.26 -4.73 116.55 122.72 1kee n ASP 530 Ca -0.10 -0.77 0.00 0.00 -0.50 0.00 0.00 54.79 53.42 1kee n ASP 530 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1kee n ASP 530 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1kee n THR 531 N 0.00 0.00 -1.61 2.12 -2.24 -1.11 -4.66 114.28 106.78 1kee n THR 531 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1kee n THR 531 Cb 0.19 -0.04 0.06 0.00 -2.10 0.00 0.00 70.33 68.44 1kee n THR 531 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kee n ALA 533 N -0.61 -1.18 -0.93 0.00 0.00 0.39 -2.41 120.51 115.77 1kee n ALA 533 Ca 0.07 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1kee n ALA 533 Cb 0.68 -4.74 0.00 0.00 0.00 0.00 0.00 19.45 15.38 1kee n ALA 533 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kee n ALA 534 N -4.41 0.00 0.37 0.00 0.00 -1.26 -4.86 120.51 110.35 1kee n ALA 534 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.55 1kee n ALA 534 Cb 0.58 -0.41 0.54 0.00 0.00 0.00 0.00 19.45 20.16 1kee n ALA 534 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1kee h GLU 535 N 1.25 0.00 -3.98 0.00 4.81 -1.89 -3.43 114.58 111.34 1kee h GLU 535 Ca 0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1kee h GLU 535 Cb 0.19 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 29.35 1kee h GLU 535 CO 0.00 0.00 -0.70 -0.06 -0.73 0.00 0.00 179.01 177.52 1kee s PHE 536 N -3.41 0.25 0.47 0.92 0.40 -1.26 -5.14 117.98 110.21 1kee s PHE 536 Ca 0.04 -0.48 -0.20 0.00 -0.60 0.00 0.00 56.93 55.68 1kee s PHE 536 Cb 0.09 -0.18 -0.09 0.00 0.51 0.00 0.00 43.02 43.35 1kee s PHE 536 CO 0.45 -0.17 1.00 0.00 0.70 0.00 0.00 175.22 177.20 1kee s ALA 537 N -1.33 2.94 0.10 5.36 0.00 -1.26 -4.94 121.76 122.61 1kee s ALA 537 Ca -0.14 0.50 0.08 0.00 0.00 0.00 0.00 51.96 52.39 1kee s ALA 537 Cb -0.09 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1kee s ALA 537 CO -0.01 -0.17 -0.20 -0.08 0.00 0.00 0.00 175.76 175.30 1kee s THR 538 N -2.11 1.65 -1.54 0.00 -1.32 -1.26 -4.36 115.64 106.69 1kee s THR 538 Ca 0.65 -1.50 0.13 0.00 -1.21 0.00 0.00 61.69 59.76 1kee s THR 538 Cb -0.13 -1.50 0.15 0.00 -1.51 0.00 0.00 72.50 69.51 1kee s THR 538 CO 0.19 -0.06 0.99 0.47 -2.21 0.00 0.00 174.62 173.99 1kee n ASP 539 N 1.16 2.28 -4.86 8.08 10.43 -1.26 -4.98 116.55 127.40 1kee n ASP 539 Ca -0.20 -1.63 -0.34 0.00 2.57 0.00 0.00 54.79 55.19 1kee n ASP 539 Cb 0.54 -0.05 -0.06 0.00 1.84 0.00 0.00 41.12 43.39 1kee n ASP 539 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1kee s THR 540 N -1.08 4.95 -0.86 -3.53 2.01 -1.26 -5.03 115.64 110.84 1kee s THR 540 Ca 0.18 0.64 0.01 0.00 0.31 0.00 0.00 61.69 62.83 1kee s THR 540 Cb 0.12 -3.69 0.30 0.00 0.01 0.00 0.00 72.50 69.24 1kee s THR 540 CO 0.17 0.20 1.29 0.00 -0.69 0.00 0.00 174.62 175.59 1kee n ALA 541 N 0.67 5.05 -3.51 7.40 0.00 -1.26 -4.93 120.51 123.92 1kee n ALA 541 Ca -0.05 -4.73 -0.42 0.00 0.00 0.00 0.00 53.44 48.24 1kee n ALA 541 Cb 0.52 -1.62 -0.07 0.00 0.00 0.00 0.00 19.45 18.28 1kee n ALA 541 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1kee s TYR 542 N -3.28 3.44 0.37 0.00 6.14 -1.26 -0.86 117.35 121.90 1kee s TYR 542 Ca 0.39 -1.91 0.08 0.00 0.64 0.00 0.00 57.07 56.27 1kee s TYR 542 Cb 0.16 -3.55 -0.07 0.00 0.42 0.00 0.00 41.96 38.92 1kee s TYR 542 CO -0.03 -0.98 -0.03 -1.64 0.64 0.00 0.00 175.55 173.51 1kee s MET 543 N 1.09 1.84 0.01 4.97 -1.94 0.80 -0.76 119.30 125.31 1kee s MET 543 Ca 0.08 -2.00 -0.06 0.00 -1.71 0.00 0.00 55.69 52.00 1kee s MET 543 Cb -0.24 -1.54 -0.00 0.00 2.01 0.00 0.00 34.83 35.06 1kee s MET 543 CO -0.02 0.01 0.11 1.52 -0.01 0.00 0.00 175.02 176.64 1kee s TYR 544 N -2.76 0.07 0.26 -0.03 -0.85 -0.93 -0.75 117.35 112.36 1kee s TYR 544 Ca 0.34 -0.19 -0.10 0.00 -0.52 0.00 0.00 57.07 56.60 1kee s TYR 544 Cb 0.07 -0.07 -0.07 0.00 0.38 0.00 0.00 41.96 42.27 1kee s TYR 544 CO 0.17 -0.27 0.60 -1.54 -1.52 0.00 0.00 175.55 172.98 1kee s SER 545 N -1.38 6.62 0.17 -0.18 1.04 -1.26 -2.07 113.70 116.65 1kee s SER 545 Ca -0.15 0.97 -0.21 0.00 0.48 0.00 0.00 55.95 57.05 1kee s SER 545 Cb -0.08 -2.25 0.05 0.00 0.10 0.00 0.00 66.02 63.84 1kee s SER 545 CO 0.01 -0.13 0.56 0.28 0.98 0.00 0.00 173.24 174.95 1kee s THR 546 N -1.91 0.02 -1.08 2.02 -1.32 -0.49 -4.79 115.64 108.09 1kee s THR 546 Ca 0.48 -0.36 -0.08 0.00 -1.21 0.00 0.00 61.69 60.52 1kee s THR 546 Cb -0.11 -1.25 0.27 0.00 -1.51 0.00 0.00 72.50 69.90 1kee s THR 546 CO 0.22 -0.08 1.06 -0.31 -2.21 0.00 0.00 174.62 173.30 1kee s TYR 547 N -3.80 4.22 0.00 9.09 2.02 -1.26 0.88 117.35 128.49 1kee s TYR 547 Ca 0.04 -2.74 0.00 0.00 -0.37 0.00 0.00 57.07 54.00 1kee s TYR 547 Cb -0.01 -3.75 0.00 0.00 -0.40 0.00 0.00 41.96 37.80 1kee s TYR 547 CO -0.09 -0.92 0.00 -1.91 -1.57 0.00 0.00 175.55 171.07 1kee n GLU 548 N 2.66 3.23 -0.09 -0.62 2.13 -1.26 -4.83 120.64 121.85 1kee n GLU 548 Ca 0.23 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.95 1kee n GLU 548 Cb 0.39 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.06 1kee n GLU 548 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1kee n GLU 549 N 0.00 0.53 -3.18 5.31 -0.58 -1.26 -4.79 120.64 116.67 1kee n GLU 549 Ca 0.00 0.24 -0.39 0.00 -0.42 0.00 0.00 57.16 56.59 1kee n GLU 549 Cb 0.00 -1.46 -0.06 0.00 -0.57 0.00 0.00 31.44 29.36 1kee n GLU 549 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1kee s GLU 550 N -2.82 4.33 -0.11 3.49 2.12 -1.26 -5.02 118.70 119.43 1kee s GLU 550 Ca -0.29 0.77 -0.06 0.00 0.36 0.00 0.00 54.97 55.75 1kee s GLU 550 Cb 0.05 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1kee s GLU 550 CO 0.42 0.37 0.11 0.00 -0.54 0.00 0.00 175.26 175.62 1kee n GLU 552 N 2.01 1.58 0.09 0.00 1.02 0.22 -4.76 120.64 120.81 1kee n GLU 552 Ca -0.20 -1.32 -0.12 0.00 -0.02 0.00 0.00 57.16 55.50 1kee n GLU 552 Cb 0.55 -1.09 -0.05 0.00 -0.02 0.00 0.00 31.44 30.82 1kee n GLU 552 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kee h ALA 553 N 0.80 -0.34 -6.47 0.62 0.00 -1.92 -3.47 119.26 108.47 1kee h ALA 553 Ca 0.00 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.40 1kee h ALA 553 Cb 0.42 0.36 0.02 0.00 0.00 0.00 0.00 17.79 18.59 1kee h ALA 553 CO 0.00 -0.74 -0.94 0.09 0.00 0.00 0.00 179.25 177.66 1kee n ASN 554 N -5.35 -3.48 -4.54 0.00 3.02 -1.26 -4.89 115.26 98.77 1kee n ASN 554 Ca -0.06 -1.08 -0.34 0.00 -0.03 0.00 0.00 54.58 53.07 1kee n ASN 554 Cb 0.26 -2.89 0.10 0.00 -0.61 0.00 0.00 39.78 36.64 1kee n ASN 554 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1kee n PRO 555 N -4.43 0.12 -3.39 3.52 -0.05 -1.26 -4.98 135.00 124.52 1kee n PRO 555 Ca -0.16 0.10 -0.38 0.00 -0.05 0.00 0.00 63.50 63.00 1kee n PRO 555 Cb 0.62 -2.07 -0.06 0.00 -0.05 0.00 0.00 33.50 31.94 1kee n PRO 555 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 1kee s SER 556 N -1.85 6.92 0.07 3.54 1.04 -1.26 -4.95 113.70 117.22 1kee s SER 556 Ca 0.66 1.10 0.22 0.00 0.48 0.00 0.00 55.95 58.42 1kee s SER 556 Cb -0.29 -2.30 -0.14 0.00 0.10 0.00 0.00 66.02 63.39 1kee s SER 556 CO 0.57 0.29 0.80 0.35 0.98 0.00 0.00 173.24 176.24 1kee n THR 557 N 1.71 0.27 0.00 2.02 -2.24 -1.26 -4.64 114.28 110.14 1kee n THR 557 Ca -0.12 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1kee n THR 557 Cb 0.52 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1kee n THR 557 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1kee n ASP 558 N -2.35 0.00 -4.98 3.42 4.64 -1.26 -4.92 116.55 111.11 1kee n ASP 558 Ca -0.01 0.58 -0.20 0.00 -1.38 0.00 0.00 54.79 53.78 1kee n ASP 558 Cb 0.53 -0.08 0.01 0.00 -1.04 0.00 0.00 41.12 40.54 1kee n ASP 558 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1kee s ARG 559 N -1.33 2.90 -0.19 -0.67 0.52 -1.26 -5.07 118.95 113.85 1kee s ARG 559 Ca 0.00 -0.89 -0.28 0.00 -0.52 0.00 0.00 55.73 54.04 1kee s ARG 559 Cb 0.00 -2.67 -0.00 0.00 0.52 0.00 0.00 34.95 32.80 1kee s ARG 559 CO 0.00 -0.28 0.97 -1.21 0.02 0.00 0.00 175.30 174.80 1kee s GLU 560 N -4.44 4.29 -0.15 3.54 2.02 -1.26 -4.88 118.70 117.81 1kee s GLU 560 Ca 0.51 1.25 -0.05 0.00 0.02 0.00 0.00 54.97 56.70 1kee s GLU 560 Cb -0.10 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 1kee s GLU 560 CO 0.35 -0.49 0.02 0.15 0.02 0.00 0.00 175.26 175.32 1kee s LYS 561 N 2.69 3.70 -0.16 1.61 1.02 -1.26 0.02 119.74 127.35 1kee s LYS 561 Ca 0.43 -0.40 -0.01 0.00 0.02 0.00 0.00 55.97 56.01 1kee s LYS 561 Cb -0.16 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1kee s LYS 561 CO 0.10 0.36 -0.11 0.42 -0.92 0.00 0.00 175.35 175.20 1kee s ILE 562 N 0.09 3.05 -0.17 2.17 -1.09 -0.10 0.61 121.20 125.77 1kee s ILE 562 Ca 0.03 -0.64 -0.07 0.00 -2.23 0.00 0.00 60.65 57.74 1kee s ILE 562 Cb -0.13 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 1kee s ILE 562 CO 0.01 0.49 0.08 -0.32 -1.23 0.00 0.00 174.94 173.98 1kee s MET 563 N 0.82 3.86 -0.24 2.79 1.75 0.11 -1.32 119.30 127.07 1kee s MET 563 Ca -0.04 -0.29 -0.00 0.00 -1.25 0.00 0.00 55.69 54.11 1kee s MET 563 Cb -0.15 -3.22 0.03 0.00 2.84 0.00 0.00 34.83 34.33 1kee s MET 563 CO 0.01 0.39 -0.10 0.08 -0.65 0.00 0.00 175.02 174.75 1kee s VAL 564 N 0.05 2.55 -0.22 10.11 1.01 -0.45 0.40 120.40 133.85 1kee s VAL 564 Ca 0.07 -1.14 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 1kee s VAL 564 Cb -0.12 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1kee s VAL 564 CO 0.00 0.22 0.52 -0.76 0.00 0.00 0.00 175.10 175.09 1kee s LEU 565 N 1.27 4.11 0.98 3.92 1.43 -1.06 -1.38 118.68 127.94 1kee s LEU 565 Ca -0.01 0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 53.57 1kee s LEU 565 Cb -0.17 -2.70 0.19 0.00 0.03 0.00 0.00 46.19 43.55 1kee s LEU 565 CO -0.06 -0.22 1.26 -0.83 0.23 0.00 0.00 176.35 176.72 1kee s GLY 566 N 1.29 1.71 0.00 -3.19 0.00 -0.21 -3.66 107.32 103.26 1kee s GLY 566 Ca 0.23 -1.05 0.25 0.00 0.00 0.00 0.00 44.72 44.16 1kee s GLY 566 CO 0.09 -0.31 1.48 0.61 0.00 0.00 0.00 173.10 174.97 1kee n GLY 567 N -3.17 0.61 6.82 0.20 0.00 -1.22 -4.37 105.19 104.05 1kee n GLY 567 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1kee n GLY 567 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 568 N 1.28 -0.17 3.78 -0.02 0.00 -1.26 -4.71 105.19 104.09 1kee n GLY 568 Ca 0.16 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 1kee n GLY 568 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kee s PRO 569 N 0.00 3.97 0.43 1.61 0.04 -1.26 -4.30 135.00 135.49 1kee s PRO 569 Ca 0.00 1.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.47 1kee s PRO 569 Cb 0.00 -2.48 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 1kee s PRO 569 CO 0.00 -0.34 1.04 -0.80 0.04 0.00 0.00 177.00 176.94 1kee s ASN 570 N -1.45 6.59 0.26 6.66 -0.87 -1.26 -4.91 114.94 119.96 1kee s ASN 570 Ca 0.60 1.99 -0.04 0.00 -1.57 0.00 0.00 52.86 53.84 1kee s ASN 570 Cb -0.25 -2.57 -0.02 0.00 -0.02 0.00 0.00 41.25 38.38 1kee s ASN 570 CO 0.31 -0.61 0.34 -0.13 -2.57 0.00 0.00 177.10 174.44 1kee s ARG 571 N -2.80 1.53 0.05 -0.60 3.00 -1.05 -3.39 118.95 115.68 1kee s ARG 571 Ca 0.62 -1.58 -0.31 0.00 0.00 0.00 0.00 55.73 54.46 1kee s ARG 571 Cb -0.20 0.38 -0.06 0.00 0.00 0.00 0.00 34.95 35.07 1kee s ARG 571 CO 0.24 -0.59 1.38 0.42 0.00 0.00 0.00 175.30 176.75 1kee s ILE 572 N -3.79 3.58 0.00 1.52 1.01 -1.26 -1.53 121.20 120.73 1kee s ILE 572 Ca 0.32 1.06 0.00 0.00 0.00 0.00 0.00 60.65 62.03 1kee s ILE 572 Cb 0.02 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1kee s ILE 572 CO 0.14 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1kee n GLY 573 N 3.55 0.53 2.25 6.18 0.00 -1.26 -4.93 105.19 111.51 1kee n GLY 573 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1kee n GLY 573 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kee n GLN 574 N -2.00 1.16 0.00 1.61 1.13 -0.58 -4.99 117.38 113.71 1kee n GLN 574 Ca 0.00 -3.57 0.00 0.00 -1.94 0.00 0.00 57.00 51.49 1kee n GLN 574 Cb 0.00 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.87 1kee n GLN 574 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kee n GLY 575 N 1.20 3.10 0.30 1.08 0.00 -1.24 -2.53 105.19 107.10 1kee n GLY 575 Ca 0.23 -1.79 0.19 0.00 0.00 0.00 0.00 46.02 44.65 1kee n GLY 575 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1kee h ILE 576 N 0.00 0.13 -0.02 -0.61 2.10 -1.93 -3.01 117.51 114.17 1kee h ILE 576 Ca 0.00 -0.27 0.01 0.00 1.08 0.00 0.00 64.86 65.68 1kee h ILE 576 Cb 0.00 1.23 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 1kee h ILE 576 CO 0.00 0.02 -0.03 -0.33 -1.08 0.00 0.00 178.15 176.74 1kee h GLU 577 N 0.00 -0.04 -0.36 2.19 3.07 -1.90 0.26 114.58 117.81 1kee h GLU 577 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1kee h GLU 577 Cb 0.23 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1kee h GLU 577 CO 0.00 -0.02 -0.01 0.74 -1.40 0.00 0.00 179.01 178.32 1kee h PHE 578 N -0.04 0.59 -0.50 4.33 0.04 -1.78 -2.21 116.94 117.36 1kee h PHE 578 Ca 0.02 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 1kee h PHE 578 Cb 0.06 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 1kee h PHE 578 CO -0.11 0.58 0.13 0.22 -0.60 0.00 0.00 178.31 178.52 1kee h ASP 579 N 0.54 0.76 -0.74 2.17 1.82 -1.40 -1.26 116.42 118.31 1kee h ASP 579 Ca 0.11 -0.23 0.11 0.00 -0.39 0.00 0.00 57.03 56.63 1kee h ASP 579 Cb 0.36 -0.20 -0.08 0.00 0.68 0.00 0.00 39.33 40.09 1kee h ASP 579 CO 0.01 0.79 0.36 0.22 -1.61 0.00 0.00 179.24 179.01 1kee h TYR 580 N 0.69 0.63 0.21 0.28 5.03 0.10 -0.90 116.97 123.01 1kee h TYR 580 Ca 0.16 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 1kee h TYR 580 Cb 0.33 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.44 1kee h TYR 580 CO 0.02 0.20 -0.10 0.00 -1.32 0.00 0.00 178.16 176.96 1kee h VAL 583 N 0.66 1.27 -0.60 0.00 2.07 -0.86 -2.67 116.25 116.12 1kee h VAL 583 Ca 0.58 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1kee h VAL 583 Cb 0.97 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1kee h VAL 583 CO -0.42 0.42 0.18 0.45 0.02 0.00 0.00 177.57 178.21 1kee h HIS 584 N 0.73 0.97 -0.50 1.57 -0.00 -0.04 0.99 115.15 118.87 1kee h HIS 584 Ca 0.12 -0.10 0.06 0.00 -0.00 0.00 0.00 60.37 60.44 1kee h HIS 584 Cb 0.64 -0.28 -0.05 0.00 -0.00 0.00 0.00 27.41 27.72 1kee h HIS 584 CO 0.05 0.81 0.22 0.00 -0.00 0.00 0.00 177.93 179.01 1kee h ALA 585 N 1.05 0.64 0.59 2.45 0.00 -0.85 0.74 119.26 123.89 1kee h ALA 585 Ca 0.19 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1kee h ALA 585 Cb 0.30 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1kee h ALA 585 CO -0.00 -0.15 -0.28 1.03 0.00 0.00 0.00 179.25 179.85 1kee h SER 586 N 0.44 -0.67 -0.66 0.00 0.87 -1.11 -2.10 113.55 110.31 1kee h SER 586 Ca 0.23 -0.03 0.14 0.00 -1.23 0.00 0.00 61.79 60.90 1kee h SER 586 Cb 0.19 0.17 -0.10 0.00 -0.44 0.00 0.00 62.40 62.22 1kee h SER 586 CO -0.19 -0.35 0.10 -0.07 -0.53 0.00 0.00 176.83 175.78 1kee h LEU 587 N -0.99 -0.10 0.35 2.23 3.38 -0.48 -1.96 115.31 117.74 1kee h LEU 587 Ca -0.08 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1kee h LEU 587 Cb 0.66 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1kee h LEU 587 CO 0.13 -0.06 -0.17 0.00 0.09 0.00 0.00 178.44 178.44 1kee h ALA 588 N 1.56 -0.47 -0.17 1.53 0.00 -0.83 -2.24 119.26 118.65 1kee h ALA 588 Ca 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1kee h ALA 588 Cb 0.58 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1kee h ALA 588 CO -0.50 -0.63 0.08 -0.07 0.00 0.00 0.00 179.25 178.13 1kee h LEU 589 N -0.74 0.20 -0.31 0.00 3.38 -1.28 0.84 115.31 117.39 1kee h LEU 589 Ca -0.05 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 1kee h LEU 589 Cb 0.50 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1kee h LEU 589 CO 0.08 0.18 -0.52 -0.09 0.09 0.00 0.00 178.44 178.18 1kee h ARG 590 N 0.23 0.89 -0.67 1.13 2.43 -1.39 0.94 114.38 117.94 1kee h ARG 590 Ca 0.06 -0.55 -0.06 0.00 -0.81 0.00 0.00 59.98 58.62 1kee h ARG 590 Cb 0.03 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1kee h ARG 590 CO -0.01 1.19 0.18 1.49 -1.51 0.00 0.00 179.97 181.32 1kee h GLU 591 N 0.69 1.05 0.00 0.20 4.57 -0.64 -0.27 114.58 120.17 1kee h GLU 591 Ca 0.02 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1kee h GLU 591 Cb 1.13 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1kee h GLU 591 CO 0.12 0.91 0.00 -0.44 -1.18 0.00 0.00 179.01 178.42 1kee h ASP 592 N 1.00 0.00 0.00 1.04 3.45 -0.66 -3.47 116.42 117.79 1kee h ASP 592 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 1kee h ASP 592 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1kee h ASP 592 CO -0.00 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.28 1kee n GLY 593 N -0.06 1.02 3.85 2.75 0.00 -0.11 -5.07 105.19 107.57 1kee n GLY 593 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1kee n GLY 593 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kee s TYR 594 N -2.00 3.48 -0.39 1.61 2.02 0.26 -4.88 117.35 117.45 1kee s TYR 594 Ca 0.00 1.34 -0.22 0.00 -0.37 0.00 0.00 57.07 57.83 1kee s TYR 594 Cb 0.00 -2.77 0.01 0.00 -0.40 0.00 0.00 41.96 38.80 1kee s TYR 594 CO 0.00 -0.79 0.71 -2.00 -1.57 0.00 0.00 175.55 171.90 1kee s GLU 595 N -5.00 3.56 -0.08 -0.62 2.12 0.10 -4.29 118.70 114.50 1kee s GLU 595 Ca 0.56 0.00 -0.17 0.00 0.36 0.00 0.00 54.97 55.73 1kee s GLU 595 Cb -0.12 -3.86 -0.05 0.00 0.26 0.00 0.00 34.13 30.36 1kee s GLU 595 CO 0.51 -0.90 0.46 0.95 -0.54 0.00 0.00 175.26 175.75 1kee s THR 596 N 2.96 5.11 -0.23 -1.70 -4.23 -1.26 -0.92 115.64 115.38 1kee s THR 596 Ca 0.27 0.94 0.01 0.00 -1.18 0.00 0.00 61.69 61.73 1kee s THR 596 Cb -0.14 -3.79 0.05 0.00 1.34 0.00 0.00 72.50 69.96 1kee s THR 596 CO 0.18 0.41 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.94 1kee s ILE 597 N 0.07 1.81 0.03 2.99 1.01 -0.44 -1.30 121.20 125.37 1kee s ILE 597 Ca 0.25 -1.25 -0.15 0.00 0.00 0.00 0.00 60.65 59.51 1kee s ILE 597 Cb -0.16 -1.92 -0.06 0.00 0.01 0.00 0.00 42.46 40.33 1kee s ILE 597 CO 0.12 0.07 0.44 -0.32 0.00 0.00 0.00 174.94 175.24 1kee s MET 598 N 1.30 3.94 -0.32 2.79 1.75 0.11 -1.35 119.30 127.52 1kee s MET 598 Ca -0.04 0.43 0.00 0.00 -1.25 0.00 0.00 55.69 54.83 1kee s MET 598 Cb -0.18 -3.18 0.10 0.00 2.84 0.00 0.00 34.83 34.42 1kee s MET 598 CO -0.07 0.66 0.09 0.08 -0.65 0.00 0.00 175.02 175.13 1kee s VAL 599 N -1.15 1.16 0.07 10.11 1.01 -0.48 -1.37 120.40 129.76 1kee s VAL 599 Ca 0.26 -1.61 -0.17 0.00 0.00 0.00 0.00 61.98 60.46 1kee s VAL 599 Cb -0.17 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.37 1kee s VAL 599 CO 0.15 -0.67 0.41 0.21 0.00 0.00 0.00 175.10 175.20 1kee s ASN 600 N 1.45 -0.26 -0.09 3.32 2.47 -1.10 -1.05 114.94 119.68 1kee s ASN 600 Ca 0.10 -0.12 0.14 0.00 0.42 0.00 0.00 52.86 53.40 1kee s ASN 600 Cb -0.18 0.44 0.21 0.00 -1.45 0.00 0.00 41.25 40.27 1kee s ASN 600 CO -0.21 -0.73 1.10 0.00 -3.72 0.00 0.00 177.10 173.54 1kee s ASN 602 N -2.33 6.54 0.36 0.00 2.47 -1.26 -1.53 114.94 119.19 1kee s ASN 602 Ca 0.23 0.43 0.15 0.00 0.42 0.00 0.00 52.86 54.09 1kee s ASN 602 Cb 0.20 -2.36 0.68 0.00 -1.45 0.00 0.00 41.25 38.32 1kee s ASN 602 CO 0.02 -0.57 1.77 1.55 -3.72 0.00 0.00 177.10 176.15 1kee h PRO 603 N 8.25 0.00 0.00 0.43 0.13 -1.90 -3.30 132.00 135.61 1kee h PRO 603 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1kee h PRO 603 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1kee h PRO 603 CO 0.84 0.41 -0.11 0.93 -0.23 0.00 0.00 178.00 179.85 1kee h GLU 604 N 0.00 0.00 -7.00 0.86 5.08 -1.90 -3.42 114.58 108.20 1kee h GLU 604 Ca -0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 1kee h GLU 604 Cb 0.80 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.11 1kee h GLU 604 CO 0.05 0.11 0.05 0.95 -1.00 0.00 0.00 179.01 179.18 1kee s THR 605 N -3.48 2.48 0.21 1.13 -4.23 -1.24 -2.89 115.64 107.61 1kee s THR 605 Ca 0.03 -0.56 0.08 0.00 -1.18 0.00 0.00 61.69 60.06 1kee s THR 605 Cb 0.08 -2.93 -0.10 0.00 1.34 0.00 0.00 72.50 70.90 1kee s THR 605 CO 0.62 0.00 1.48 0.58 -0.54 0.00 0.00 174.62 176.76 1kee h VAL 606 N -0.20 1.53 -0.88 2.29 2.07 -1.91 -3.21 116.25 115.95 1kee h VAL 606 Ca -0.42 -2.58 0.07 0.00 0.82 0.00 0.00 66.70 64.59 1kee h VAL 606 Cb 1.30 2.40 -0.07 0.00 -1.52 0.00 0.00 31.29 33.40 1kee h VAL 606 CO 0.52 0.74 0.54 0.77 0.02 0.00 0.00 177.57 180.16 1kee h SER 607 N 0.02 0.83 -0.22 0.57 4.64 -1.92 -1.64 113.55 115.83 1kee h SER 607 Ca -0.01 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1kee h SER 607 Cb 1.36 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1kee h SER 607 CO 0.10 0.52 0.00 0.35 -0.87 0.00 0.00 176.83 176.93 1kee n THR 608 N -4.63 0.76 -3.16 2.95 -2.24 -1.21 -4.77 114.28 101.98 1kee n THR 608 Ca 0.13 -0.44 -0.39 0.00 -2.27 0.00 0.00 64.05 61.07 1kee n THR 608 Cb 0.21 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.16 1kee n THR 608 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1kee s ASP 609 N -0.52 6.71 0.63 3.42 -1.08 -0.62 -4.92 116.67 120.29 1kee s ASP 609 Ca 0.19 0.85 0.30 0.00 -0.52 0.00 0.00 52.55 53.37 1kee s ASP 609 Cb 0.13 -2.34 1.65 0.00 -1.46 0.00 0.00 42.92 40.90 1kee s ASP 609 CO 0.08 -0.19 1.98 0.10 0.52 0.00 0.00 175.17 177.66 1kee h TYR 610 N 7.25 0.00 0.00 -5.34 -0.00 -1.86 -1.62 116.97 115.39 1kee h TYR 610 Ca -0.35 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.37 1kee h TYR 610 Cb 1.16 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.89 1kee h TYR 610 CO 0.69 0.00 -0.04 -0.44 -0.00 0.00 0.00 178.16 178.37 1kee h ASP 611 N 0.00 0.00 0.33 0.10 3.45 -1.91 -3.28 116.42 115.10 1kee h ASP 611 Ca 0.08 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.42 1kee h ASP 611 Cb 0.73 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.48 1kee h ASP 611 CO -0.00 0.04 -0.49 0.74 -1.57 0.00 0.00 179.24 177.96 1kee h THR 612 N 0.00 1.35 -4.76 0.35 2.02 -1.54 -3.47 112.91 106.85 1kee h THR 612 Ca -0.00 -1.72 -0.50 0.00 0.77 0.00 0.00 66.41 64.96 1kee h THR 612 Cb 0.71 1.84 -0.12 0.00 -1.74 0.00 0.00 68.15 68.84 1kee h THR 612 CO 0.01 0.51 -0.44 -1.54 0.37 0.00 0.00 175.52 174.42 1kee n SER 613 N -3.96 0.70 -0.03 4.18 3.41 -1.24 -4.30 113.62 112.39 1kee n SER 613 Ca -0.02 -3.05 -0.16 0.00 -0.26 0.00 0.00 58.87 55.38 1kee n SER 613 Cb 0.53 1.14 -0.14 0.00 -0.26 0.00 0.00 64.21 65.48 1kee n SER 613 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1kee h ASP 614 N 1.64 0.17 -3.88 4.04 3.45 -1.49 -3.46 116.42 116.88 1kee h ASP 614 Ca -0.28 -0.98 -0.52 0.00 0.43 0.00 0.00 57.03 55.68 1kee h ASP 614 Cb 1.14 -0.06 -0.31 0.00 -0.56 0.00 0.00 39.33 39.54 1kee h ASP 614 CO 0.43 1.15 -0.82 -0.13 -1.57 0.00 0.00 179.24 178.30 1kee s ARG 615 N -2.30 1.53 -0.17 3.56 0.52 -0.42 -4.38 118.95 117.29 1kee s ARG 615 Ca -0.17 -0.52 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 1kee s ARG 615 Cb -0.01 -1.36 0.03 0.00 0.52 0.00 0.00 34.95 34.13 1kee s ARG 615 CO 0.74 0.21 -0.12 -1.17 0.02 0.00 0.00 175.30 174.98 1kee s LEU 616 N 0.08 1.97 -0.43 2.53 2.96 -0.04 -0.71 118.68 125.04 1kee s LEU 616 Ca -0.03 -0.69 -0.11 0.00 -0.22 0.00 0.00 54.13 53.08 1kee s LEU 616 Cb -0.11 -1.20 0.08 0.00 0.50 0.00 0.00 46.19 45.47 1kee s LEU 616 CO 0.02 -0.10 0.30 -0.31 -1.32 0.00 0.00 176.35 174.93 1kee s TYR 617 N 1.45 3.32 -1.32 5.38 1.51 -0.47 -0.14 117.35 127.07 1kee s TYR 617 Ca 0.02 -1.42 -0.15 0.00 -1.01 0.00 0.00 57.07 54.50 1kee s TYR 617 Cb -0.15 -3.04 0.09 0.00 -0.11 0.00 0.00 41.96 38.75 1kee s TYR 617 CO -0.09 -0.85 1.83 0.34 -1.11 0.00 0.00 175.55 175.67 1kee n PHE 618 N 4.98 4.23 -4.23 2.71 -0.00 0.07 -2.70 117.46 122.52 1kee n PHE 618 Ca -0.10 -2.97 -0.13 0.00 -0.00 0.00 0.00 57.45 54.25 1kee n PHE 618 Cb 0.43 -2.46 -0.10 0.00 -0.00 0.00 0.00 39.48 37.35 1kee n PHE 618 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1kee s GLU 619 N 3.02 1.04 0.19 -4.13 0.41 -1.21 -4.61 118.70 113.41 1kee s GLU 619 Ca 0.48 -1.47 -0.31 0.00 -0.41 0.00 0.00 54.97 53.26 1kee s GLU 619 Cb 0.06 -0.35 -0.10 0.00 -1.78 0.00 0.00 34.13 31.96 1kee s GLU 619 CO 0.01 -0.06 1.53 -2.14 -0.49 0.00 0.00 175.26 174.12 1kee s PRO 620 N -3.85 4.22 -1.44 0.39 0.02 -1.26 -3.35 135.00 129.72 1kee s PRO 620 Ca 0.19 2.35 -0.14 0.00 0.02 0.00 0.00 61.00 63.43 1kee s PRO 620 Cb 0.05 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.47 1kee s PRO 620 CO 0.01 -0.56 2.23 0.28 -0.33 0.00 0.00 177.00 178.63 1kee n VAL 621 N 3.42 3.41 -4.42 3.83 0.31 -1.26 -4.54 118.33 119.07 1kee n VAL 621 Ca 0.12 -2.96 -0.25 0.00 -0.01 0.00 0.00 64.34 61.23 1kee n VAL 621 Cb 0.39 -2.60 -0.09 0.00 -0.91 0.00 0.00 33.84 30.62 1kee n VAL 621 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1kee s THR 622 N 3.25 2.39 0.09 2.52 -4.23 -1.26 -4.87 115.64 113.53 1kee s THR 622 Ca 0.48 -2.02 -0.27 0.00 -1.18 0.00 0.00 61.69 58.69 1kee s THR 622 Cb 0.14 -2.80 -0.15 0.00 1.34 0.00 0.00 72.50 71.04 1kee s THR 622 CO -0.08 -0.15 1.68 0.25 -0.54 0.00 0.00 174.62 175.77 1kee h LEU 623 N 1.83 -0.40 0.01 4.79 5.85 -1.97 0.09 115.31 125.51 1kee h LEU 623 Ca -0.43 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1kee h LEU 623 Cb 1.25 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 1kee h LEU 623 CO 0.70 -0.26 -0.47 -0.08 -0.34 0.00 0.00 178.44 178.00 1kee h GLU 624 N -0.40 -0.57 -0.72 1.25 4.81 -1.96 0.37 114.58 117.35 1kee h GLU 624 Ca -0.02 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1kee h GLU 624 Cb 0.34 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.77 1kee h GLU 624 CO 0.02 -0.38 0.34 -0.44 -0.73 0.00 0.00 179.01 177.82 1kee h ASP 625 N -0.60 0.42 -0.21 1.04 3.45 -1.79 -1.76 116.42 116.97 1kee h ASP 625 Ca 0.01 0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.50 1kee h ASP 625 Cb 0.63 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.40 1kee h ASP 625 CO -0.31 0.23 -0.03 0.58 -1.57 0.00 0.00 179.24 178.14 1kee h VAL 626 N 0.57 1.27 -0.81 -1.35 2.07 -0.21 -2.98 116.25 114.81 1kee h VAL 626 Ca 0.36 -0.98 0.11 0.00 0.82 0.00 0.00 66.70 67.02 1kee h VAL 626 Cb 0.42 1.50 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 1kee h VAL 626 CO -0.30 0.30 0.43 -0.07 0.02 0.00 0.00 177.57 177.95 1kee h LEU 627 N 0.12 0.57 -2.04 2.57 3.38 0.24 0.10 115.31 120.26 1kee h LEU 627 Ca 0.06 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1kee h LEU 627 Cb 0.46 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1kee h LEU 627 CO 0.02 0.30 -0.05 -0.33 0.09 0.00 0.00 178.44 178.46 1kee h GLU 628 N 0.69 0.00 0.22 1.13 4.39 -1.19 -1.11 114.58 118.70 1kee h GLU 628 Ca 0.41 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.83 1kee h GLU 628 Cb 0.47 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1kee h GLU 628 CO -0.29 0.05 -1.24 0.82 -1.16 0.00 0.00 179.01 177.19 1kee h ILE 629 N 0.00 1.37 -0.08 3.13 2.04 -0.71 -3.32 117.51 119.94 1kee h ILE 629 Ca -0.00 -2.64 0.02 0.00 1.00 0.00 0.00 64.86 63.24 1kee h ILE 629 Cb 0.10 3.10 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 1kee h ILE 629 CO 0.01 0.78 -0.02 0.58 0.00 0.00 0.00 178.15 179.49 1kee h VAL 630 N -0.04 0.92 -0.82 1.67 2.07 -0.94 0.11 116.25 119.21 1kee h VAL 630 Ca -0.22 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.59 1kee h VAL 630 Cb 1.98 0.92 -0.15 0.00 -1.52 0.00 0.00 31.29 32.52 1kee h VAL 630 CO 0.23 0.00 0.21 -1.14 0.02 0.00 0.00 177.57 176.90 1kee n ARG 631 N -5.13 -0.06 -0.10 1.57 0.63 -0.45 0.22 116.66 113.34 1kee n ARG 631 Ca -0.05 1.19 -0.11 0.00 -0.92 0.00 0.00 57.85 57.95 1kee n ARG 631 Cb 0.07 -2.00 -0.15 0.00 0.45 0.00 0.00 32.46 30.83 1kee n ARG 631 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1kee n ILE 632 N -5.03 1.40 -0.02 5.15 -5.35 -1.11 -4.55 119.36 109.85 1kee n ILE 632 Ca 0.25 -0.80 -0.16 0.00 -0.27 0.00 0.00 62.75 61.77 1kee n ILE 632 Cb 0.83 -0.64 -0.10 0.00 -1.74 0.00 0.00 39.64 37.99 1kee n ILE 632 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1kee h GLU 633 N 0.00 0.33 -5.96 6.28 4.39 0.12 -3.46 114.58 116.28 1kee h GLU 633 Ca -0.55 -0.31 -0.30 0.00 0.34 0.00 0.00 59.36 58.53 1kee h GLU 633 Cb 2.18 0.08 0.07 0.00 -0.10 0.00 0.00 28.75 30.98 1kee h GLU 633 CO 0.01 0.99 -0.71 1.63 -1.16 0.00 0.00 179.01 179.77 1kee n LYS 634 N -4.36 -1.45 -1.15 2.33 5.02 0.61 -4.95 118.16 114.20 1kee n LYS 634 Ca -0.09 0.84 -0.30 0.00 -2.02 0.00 0.00 58.31 56.74 1kee n LYS 634 Cb 0.57 -4.54 0.14 0.00 -0.02 0.00 0.00 35.03 31.18 1kee n LYS 634 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1kee s PRO 635 N -4.79 1.34 0.01 1.97 0.04 -1.26 -4.89 135.00 127.42 1kee s PRO 635 Ca 0.28 0.94 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1kee s PRO 635 Cb -0.08 -1.81 -0.23 0.00 0.04 0.00 0.00 34.50 32.41 1kee s PRO 635 CO 0.82 -2.22 1.10 -0.22 0.04 0.00 0.00 177.00 176.52 1kee h LYS 636 N -1.54 0.42 -3.53 4.56 3.64 -0.20 -3.46 116.57 116.47 1kee h LYS 636 Ca -0.48 -0.45 -0.06 0.00 -1.27 0.00 0.00 60.65 58.38 1kee h LYS 636 Cb 1.27 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 33.10 1kee h LYS 636 CO 0.53 1.11 -0.14 0.20 -2.27 0.00 0.00 179.45 178.88 1kee s GLY 637 N -4.10 -0.01 -0.06 5.01 0.00 -1.06 -4.80 107.32 102.31 1kee s GLY 637 Ca -0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 1kee s GLY 637 CO 0.83 -0.48 0.03 0.14 0.00 0.00 0.00 173.10 173.62 1kee s VAL 638 N -3.87 0.16 -0.33 1.40 1.01 0.04 0.04 120.40 118.86 1kee s VAL 638 Ca 0.08 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 1kee s VAL 638 Cb 0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 1kee s VAL 638 CO -0.07 0.21 0.69 -0.63 0.00 0.00 0.00 175.10 175.30 1kee s ILE 639 N 2.06 4.86 -0.87 2.22 1.01 0.16 -1.96 121.20 128.69 1kee s ILE 639 Ca 0.05 0.86 0.08 0.00 0.00 0.00 0.00 60.65 61.64 1kee s ILE 639 Cb -0.12 -4.08 0.13 0.00 0.01 0.00 0.00 42.46 38.39 1kee s ILE 639 CO -0.04 -0.25 0.92 1.33 0.00 0.00 0.00 174.94 176.90 1kee n VAL 640 N 5.53 0.39 1.30 2.92 0.24 -1.26 -2.57 118.33 124.89 1kee n VAL 640 Ca 0.01 -0.70 0.13 0.00 -2.04 0.00 0.00 64.34 61.74 1kee n VAL 640 Cb 0.49 0.90 0.36 0.00 -1.47 0.00 0.00 33.84 34.12 1kee n VAL 640 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kee n GLN 641 N 0.37 1.62 -0.01 7.34 3.00 -1.26 -3.36 117.38 125.08 1kee n GLN 641 Ca 0.06 -1.09 0.07 0.00 -0.01 0.00 0.00 57.00 56.03 1kee n GLN 641 Cb 0.27 -1.48 -0.12 0.00 0.00 0.00 0.00 30.24 28.92 1kee n GLN 641 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1kee n TYR 642 N 0.26 0.00 0.93 1.08 4.02 -1.26 -2.00 117.16 120.19 1kee n TYR 642 Ca 0.16 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.12 1kee n TYR 642 Cb 0.42 -0.35 0.22 0.00 -0.02 0.00 0.00 39.34 39.61 1kee n TYR 642 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1kee n GLY 643 N 1.67 0.61 1.39 2.72 0.00 -1.24 -4.38 105.19 105.95 1kee n GLY 643 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1kee n GLY 643 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 644 N 1.10 -1.68 0.29 -0.02 0.00 -1.26 -3.43 105.19 100.19 1kee n GLY 644 Ca 0.13 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.31 1kee n GLY 644 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1kee h GLN 645 N 0.00 0.61 0.10 1.61 1.08 -1.94 -3.07 115.11 113.50 1kee h GLN 645 Ca 0.00 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1kee h GLN 645 Cb 0.00 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1kee h GLN 645 CO 0.00 0.53 -0.21 1.15 -0.95 0.00 0.00 178.83 179.35 1kee h THR 646 N 0.60 0.00 -0.28 -0.54 2.02 -1.84 -1.92 112.91 110.95 1kee h THR 646 Ca 0.14 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.27 1kee h THR 646 Cb 0.17 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1kee h THR 646 CO -0.01 0.00 -0.08 1.55 0.37 0.00 0.00 175.52 177.35 1kee h PRO 647 N -0.33 0.45 -0.28 6.66 0.13 -1.76 -3.08 132.00 133.78 1kee h PRO 647 Ca -0.01 -0.11 0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1kee h PRO 647 Cb 0.31 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.34 1kee h PRO 647 CO -0.08 0.54 -0.06 1.25 -0.23 0.00 0.00 178.00 179.41 1kee h LEU 648 N 0.42 -0.25 -0.16 1.56 5.85 -1.41 0.01 115.31 121.33 1kee h LEU 648 Ca 0.08 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1kee h LEU 648 Cb 0.41 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1kee h LEU 648 CO 0.02 -0.09 0.00 0.29 -0.34 0.00 0.00 178.44 178.32 1kee n LYS 649 N -5.23 0.02 0.01 1.25 5.02 -0.74 -2.02 118.16 116.47 1kee n LYS 649 Ca -0.01 0.41 0.11 0.00 -2.02 0.00 0.00 58.31 56.81 1kee n LYS 649 Cb 0.16 -1.56 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 1kee n LYS 649 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1kee n LEU 650 N -1.61 0.15 -0.33 -0.35 4.77 -0.05 -4.67 117.00 114.91 1kee n LEU 650 Ca 0.01 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 1kee n LEU 650 Cb 0.08 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1kee n LEU 650 CO 0.07 -0.02 0.53 0.00 -1.33 0.00 0.00 177.39 176.64 1kee h ALA 651 N 2.03 -0.35 -0.83 -1.18 0.00 -0.95 0.35 119.26 118.33 1kee h ALA 651 Ca 0.00 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1kee h ALA 651 Cb 0.99 1.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.87 1kee h ALA 651 CO 0.00 -0.86 0.48 -0.09 0.00 0.00 0.00 179.25 178.78 1kee h ARG 652 N -0.10 0.79 -0.28 0.00 2.43 -1.83 -1.63 114.38 113.76 1kee h ARG 652 Ca 0.20 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.16 1kee h ARG 652 Cb 0.51 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1kee h ARG 652 CO -0.85 0.52 -0.49 0.00 -1.51 0.00 0.00 179.97 177.64 1kee h ALA 653 N 1.45 0.60 0.18 2.80 0.00 -1.68 -2.24 119.26 120.38 1kee h ALA 653 Ca 0.40 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1kee h ALA 653 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1kee h ALA 653 CO -0.24 0.68 -0.08 -0.07 0.00 0.00 0.00 179.25 179.53 1kee h LEU 654 N 0.60 -0.20 -0.28 0.00 3.38 -0.43 -1.53 115.31 116.86 1kee h LEU 654 Ca 0.03 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1kee h LEU 654 Cb 1.07 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1kee h LEU 654 CO 0.11 -0.05 0.16 -0.08 0.09 0.00 0.00 178.44 178.67 1kee h GLU 655 N -0.34 0.32 -0.32 1.13 4.81 -1.34 0.16 114.58 119.01 1kee h GLU 655 Ca -0.02 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1kee h GLU 655 Cb 0.26 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1kee h GLU 655 CO 0.04 0.21 0.22 0.00 -0.73 0.00 0.00 179.01 178.76 1kee h ALA 656 N 1.13 2.21 -0.13 2.92 0.00 -1.31 1.30 119.26 125.37 1kee h ALA 656 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1kee h ALA 656 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1kee h ALA 656 CO -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.90 1kee n ALA 657 N -2.58 2.52 -2.33 0.00 0.00 -0.58 -4.88 120.51 112.66 1kee n ALA 657 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1kee n ALA 657 Cb 0.35 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1kee n ALA 657 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 658 N 0.90 0.84 3.71 0.00 0.00 0.44 -5.04 105.19 106.04 1kee n GLY 658 Ca 0.11 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1kee n GLY 658 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 659 N -2.76 5.26 -0.76 1.61 1.01 0.50 -4.96 120.40 120.29 1kee s VAL 659 Ca 0.00 0.66 -0.23 0.00 0.00 0.00 0.00 61.98 62.40 1kee s VAL 659 Cb 0.00 -3.69 -0.17 0.00 0.00 0.00 0.00 36.38 32.52 1kee s VAL 659 CO 0.00 0.34 1.89 -0.81 0.00 0.00 0.00 175.10 176.52 1kee n PRO 660 N 3.86 1.30 -2.16 2.72 -0.04 -1.26 -4.22 135.00 135.19 1kee n PRO 660 Ca -0.10 -1.86 -0.43 0.00 -0.04 0.00 0.00 63.50 61.07 1kee n PRO 660 Cb 0.52 -3.05 -0.02 0.00 -0.04 0.00 0.00 33.50 30.90 1kee n PRO 660 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1kee s VAL 661 N 6.79 3.67 0.75 0.52 1.01 -1.26 -0.78 120.40 131.10 1kee s VAL 661 Ca 0.62 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 63.21 1kee s VAL 661 Cb 0.11 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.68 1kee s VAL 661 CO 0.15 -0.56 1.06 0.27 0.00 0.00 0.00 175.10 176.02 1kee s ILE 662 N 6.18 2.21 0.05 2.22 -4.36 -0.83 -4.87 121.20 121.80 1kee s ILE 662 Ca 0.71 -0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.83 1kee s ILE 662 Cb -0.19 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.59 1kee s ILE 662 CO 0.33 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.12 1kee n GLY 663 N -3.04 -1.38 2.69 6.27 0.00 -1.25 -4.70 105.19 103.78 1kee n GLY 663 Ca 0.10 -1.13 -0.49 0.00 0.00 0.00 0.00 46.02 44.50 1kee n GLY 663 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1kee n THR 664 N -1.88 0.00 -1.47 2.61 -1.04 -0.17 -4.85 114.28 107.48 1kee n THR 664 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1kee n THR 664 Cb 0.10 -0.37 0.09 0.00 -1.82 0.00 0.00 70.33 68.32 1kee n THR 664 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1kee n SER 665 N 3.78 1.37 -0.31 8.00 3.41 -1.26 -4.76 113.62 123.86 1kee n SER 665 Ca 0.29 0.73 0.05 0.00 -0.26 0.00 0.00 58.87 59.67 1kee n SER 665 Cb -0.04 -1.50 0.25 0.00 -0.26 0.00 0.00 64.21 62.66 1kee n SER 665 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1kee h PRO 666 N -0.04 0.97 -0.32 4.33 0.11 -1.90 0.21 132.00 135.35 1kee h PRO 666 Ca -0.49 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.43 1kee h PRO 666 Cb 1.33 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1kee h PRO 666 CO 0.50 0.64 -0.35 0.22 -0.21 0.00 0.00 178.00 178.79 1kee h ASP 667 N 1.00 0.77 -0.66 -2.05 1.82 -1.97 -0.86 116.42 114.48 1kee h ASP 667 Ca 0.40 -0.33 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1kee h ASP 667 Cb 0.26 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.03 1kee h ASP 667 CO -0.16 1.05 0.36 0.00 -1.61 0.00 0.00 179.24 178.87 1kee h ALA 668 N 0.99 0.84 0.02 -0.78 0.00 -1.36 0.16 119.26 119.13 1kee h ALA 668 Ca 0.06 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1kee h ALA 668 Cb 0.89 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1kee h ALA 668 CO 0.08 0.36 -0.21 0.82 0.00 0.00 0.00 179.25 180.30 1kee h ILE 669 N 0.90 0.51 -0.96 0.00 2.04 -0.46 -2.05 117.51 117.49 1kee h ILE 669 Ca 0.23 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.20 1kee h ILE 669 Cb 0.05 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 1kee h ILE 669 CO -0.04 0.00 0.59 -0.78 0.00 0.00 0.00 178.15 177.93 1kee h ASP 670 N -0.34 0.87 -0.41 1.72 1.82 -0.37 -0.85 116.42 118.86 1kee h ASP 670 Ca 0.05 0.05 0.08 0.00 -0.39 0.00 0.00 57.03 56.82 1kee h ASP 670 Cb 0.41 -0.13 -0.07 0.00 0.68 0.00 0.00 39.33 40.22 1kee h ASP 670 CO -0.18 0.48 -0.06 0.03 -1.61 0.00 0.00 179.24 177.89 1kee h ARG 671 N 0.96 0.04 -0.11 0.28 3.08 -0.00 0.73 114.38 119.35 1kee h ARG 671 Ca 0.47 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.49 1kee h ARG 671 Cb 0.44 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1kee h ARG 671 CO -0.26 0.03 -0.03 0.00 -1.07 0.00 0.00 179.97 178.64 1kee h ALA 672 N 1.39 0.16 -0.35 0.04 0.00 -0.95 -2.64 119.26 116.90 1kee h ALA 672 Ca 0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1kee h ALA 672 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1kee h ALA 672 CO -0.39 -0.09 -0.00 0.93 0.00 0.00 0.00 179.25 179.70 1kee h GLU 673 N -0.10 0.62 -6.21 0.00 4.39 -0.83 -3.41 114.58 109.03 1kee h GLU 673 Ca 0.03 -0.20 -0.56 0.00 0.34 0.00 0.00 59.36 58.97 1kee h GLU 673 Cb 0.46 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1kee h GLU 673 CO 0.01 0.74 1.28 0.34 -1.16 0.00 0.00 179.01 180.22 1kee s ASP 674 N -6.12 6.11 0.53 1.42 2.15 0.25 -4.79 116.67 116.22 1kee s ASP 674 Ca -0.13 2.06 0.32 0.00 0.43 0.00 0.00 52.55 55.23 1kee s ASP 674 Cb 0.09 -2.52 1.48 0.00 -0.30 0.00 0.00 42.92 41.67 1kee s ASP 674 CO 0.78 -1.41 1.86 0.08 -0.17 0.00 0.00 175.17 176.30 1kee h ARG 675 N 12.07 0.03 0.00 4.34 -0.00 -1.85 0.19 114.38 129.15 1kee h ARG 675 Ca -0.41 -0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.48 1kee h ARG 675 Cb 1.21 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 31.16 1kee h ARG 675 CO 0.97 0.02 -0.56 1.49 -0.00 0.00 0.00 179.97 181.89 1kee h GLU 676 N 0.03 0.00 -0.32 0.08 4.81 -1.90 -2.84 114.58 114.44 1kee h GLU 676 Ca 0.48 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.80 1kee h GLU 676 Cb 1.87 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.24 1kee h GLU 676 CO -0.02 0.61 0.27 0.00 -0.73 0.00 0.00 179.01 179.14 1kee h ARG 677 N -1.00 0.00 0.01 1.92 3.08 -1.61 -2.43 114.38 114.35 1kee h ARG 677 Ca -0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1kee h ARG 677 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1kee h ARG 677 CO -0.08 0.00 -0.00 0.35 -1.07 0.00 0.00 179.97 179.17 1kee h PHE 678 N 0.00 -0.01 -1.24 3.04 3.57 -0.27 -3.13 116.94 118.90 1kee h PHE 678 Ca 0.15 -0.00 0.36 0.00 3.53 0.00 0.00 57.97 62.01 1kee h PHE 678 Cb 0.69 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.35 1kee h PHE 678 CO 0.00 0.25 0.85 0.37 -2.23 0.00 0.00 178.31 177.54 1kee h GLN 679 N -1.00 0.14 0.47 1.11 4.15 -1.22 0.29 115.11 119.05 1kee h GLN 679 Ca -0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1kee h GLN 679 Cb 0.26 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1kee h GLN 679 CO 0.00 0.10 -0.23 0.45 -1.93 0.00 0.00 178.83 177.22 1kee h HIS 680 N 0.15 -0.59 -0.93 3.99 3.86 -1.55 -0.91 115.15 119.17 1kee h HIS 680 Ca 0.67 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.86 1kee h HIS 680 Cb 2.23 0.19 -0.05 0.00 1.06 0.00 0.00 27.41 30.85 1kee h HIS 680 CO -0.00 -0.27 0.57 0.00 0.86 0.00 0.00 177.93 179.09 1kee h ALA 681 N -0.47 1.25 -0.49 2.45 0.00 -0.46 0.27 119.26 121.81 1kee h ALA 681 Ca -0.06 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1kee h ALA 681 Cb 0.58 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1kee h ALA 681 CO 0.11 0.65 0.27 0.28 0.00 0.00 0.00 179.25 180.55 1kee h VAL 682 N 1.28 0.99 0.14 0.00 2.07 -0.99 0.18 116.25 119.92 1kee h VAL 682 Ca 0.34 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.69 1kee h VAL 682 Cb -0.07 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 1kee h VAL 682 CO -0.06 0.10 -0.43 -0.33 0.02 0.00 0.00 177.57 176.87 1kee h GLU 683 N 0.52 -0.65 -0.94 1.57 5.08 -0.13 -1.51 114.58 118.52 1kee h GLU 683 Ca 0.21 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.80 1kee h GLU 683 Cb 0.09 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 1kee h GLU 683 CO -0.13 -0.43 0.60 -0.09 -1.00 0.00 0.00 179.01 177.96 1kee h ARG 684 N -0.68 0.60 -0.00 2.33 2.43 0.38 -0.00 114.38 119.44 1kee h ARG 684 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1kee h ARG 684 Cb 0.69 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1kee h ARG 684 CO -0.23 0.40 -0.12 1.28 -1.51 0.00 0.00 179.97 179.79 1kee n LEU 685 N -4.61 0.59 -3.46 3.80 4.77 0.53 -4.95 117.00 113.68 1kee n LEU 685 Ca 0.20 -0.06 -0.22 0.00 -0.03 0.00 0.00 56.01 55.90 1kee n LEU 685 Cb 0.59 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1kee n LEU 685 CO 0.27 0.11 -0.00 0.29 -1.33 0.00 0.00 177.39 176.73 1kee n LYS 686 N -0.84 -1.67 -4.40 3.23 5.02 -0.02 -5.02 118.16 114.47 1kee n LYS 686 Ca 0.15 0.71 -0.25 0.00 -2.02 0.00 0.00 58.31 56.90 1kee n LYS 686 Cb 0.28 -4.92 -0.09 0.00 -0.02 0.00 0.00 35.03 30.28 1kee n LYS 686 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kee s LEU 687 N -5.80 2.93 -0.25 -0.35 1.43 -0.93 -5.07 118.68 110.66 1kee s LEU 687 Ca 0.43 -1.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.26 1kee s LEU 687 Cb -0.11 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1kee s LEU 687 CO 0.80 -0.32 0.36 -0.54 0.23 0.00 0.00 176.35 176.88 1kee s LYS 688 N -3.72 4.07 0.08 1.70 1.02 -1.26 -4.75 119.74 116.87 1kee s LYS 688 Ca 0.35 0.05 0.06 0.00 0.02 0.00 0.00 55.97 56.46 1kee s LYS 688 Cb 0.03 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.70 1kee s LYS 688 CO 0.19 -0.17 -0.17 -1.14 -0.92 0.00 0.00 175.35 173.15 1kee s GLN 689 N 1.72 0.95 0.55 1.68 0.74 -1.26 0.03 119.66 124.08 1kee s GLN 689 Ca 0.15 -1.00 -0.18 0.00 0.05 0.00 0.00 55.36 54.38 1kee s GLN 689 Cb -0.15 -1.05 -0.05 0.00 1.10 0.00 0.00 33.01 32.86 1kee s GLN 689 CO 0.09 0.24 1.07 -2.14 -0.55 0.00 0.00 175.29 174.00 1kee s PRO 690 N -1.70 3.43 0.41 1.67 0.02 -1.26 -4.94 135.00 132.62 1kee s PRO 690 Ca 0.01 1.37 -0.26 0.00 0.02 0.00 0.00 61.00 62.14 1kee s PRO 690 Cb -0.10 -2.04 -0.10 0.00 0.02 0.00 0.00 34.50 32.28 1kee s PRO 690 CO 0.03 -0.74 1.23 0.00 -0.33 0.00 0.00 177.00 177.18 1kee n ALA 691 N -1.56 1.08 -2.20 -1.55 0.00 -1.26 -4.76 120.51 110.27 1kee n ALA 691 Ca 0.10 0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.69 1kee n ALA 691 Cb 0.52 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 1kee n ALA 691 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1kee s ASN 692 N -0.54 0.24 -0.06 0.00 2.20 -1.26 -0.99 114.94 114.53 1kee s ASN 692 Ca 0.61 -1.36 -0.29 0.00 -0.94 0.00 0.00 52.86 50.87 1kee s ASN 692 Cb -0.53 0.35 0.10 0.00 -2.00 0.00 0.00 41.25 39.17 1kee s ASN 692 CO 0.58 -0.82 0.83 0.00 -2.94 0.00 0.00 177.10 174.76 1kee s ALA 693 N -4.12 -1.82 -0.27 3.54 0.00 -0.42 -4.96 121.76 113.71 1kee s ALA 693 Ca 0.37 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.64 1kee s ALA 693 Cb 0.07 -0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.15 1kee s ALA 693 CO 0.10 -0.44 -0.08 0.99 0.00 0.00 0.00 175.76 176.33 1kee s THR 694 N -1.76 2.13 -0.10 0.00 2.01 -1.26 0.58 115.64 117.24 1kee s THR 694 Ca -0.03 -1.73 -0.05 0.00 0.31 0.00 0.00 61.69 60.19 1kee s THR 694 Cb -0.00 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1kee s THR 694 CO 0.01 -0.14 0.09 -0.69 -0.69 0.00 0.00 174.62 173.21 1kee s VAL 695 N 1.09 5.07 -0.22 3.82 1.01 -0.79 -5.02 120.40 125.36 1kee s VAL 695 Ca -0.05 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1kee s VAL 695 Cb -0.20 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 1kee s VAL 695 CO -0.06 0.59 -0.33 0.41 0.00 0.00 0.00 175.10 175.71 1kee n THR 696 N 1.95 1.44 -3.94 3.92 -1.04 -1.26 -4.03 114.28 111.32 1kee n THR 696 Ca -0.19 -0.17 -0.21 0.00 -2.04 0.00 0.00 64.05 61.44 1kee n THR 696 Cb 0.54 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.01 1kee n THR 696 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kee s ALA 697 N -2.61 3.80 0.00 2.41 0.00 -1.26 -5.03 121.76 119.07 1kee s ALA 697 Ca -0.33 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.20 1kee s ALA 697 Cb 0.10 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1kee s ALA 697 CO 0.43 0.16 0.90 -0.89 0.00 0.00 0.00 175.76 176.37 1kee n ILE 698 N -1.33 0.00 -0.51 0.00 -0.00 -1.26 -2.49 119.36 113.77 1kee n ILE 698 Ca -0.06 1.40 0.43 0.00 -0.00 0.00 0.00 62.75 64.52 1kee n ILE 698 Cb 0.58 -2.24 0.77 0.00 -0.00 0.00 0.00 39.64 38.75 1kee n ILE 698 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1kee h GLU 699 N 0.00 0.02 -0.58 0.38 4.39 -2.00 0.60 114.58 117.40 1kee h GLU 699 Ca 0.00 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1kee h GLU 699 Cb 0.00 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1kee h GLU 699 CO 0.00 0.02 0.14 1.98 -1.16 0.00 0.00 179.01 179.99 1kee h MET 700 N 0.02 0.92 -0.09 2.33 4.05 -1.92 -2.86 114.93 117.39 1kee h MET 700 Ca 0.76 -0.22 -0.04 0.00 -0.28 0.00 0.00 59.70 59.92 1kee h MET 700 Cb 2.95 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 33.62 1kee h MET 700 CO -0.07 0.86 -0.10 0.00 0.23 0.00 0.00 176.91 177.83 1kee h ALA 701 N 1.03 0.13 -0.83 0.39 0.00 0.51 -0.25 119.26 120.25 1kee h ALA 701 Ca 0.18 -0.30 0.18 0.00 0.00 0.00 0.00 54.91 54.97 1kee h ALA 701 Cb 0.35 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 1kee h ALA 701 CO 0.00 -0.03 0.33 0.28 0.00 0.00 0.00 179.25 179.83 1kee h VAL 702 N -0.21 0.55 0.23 0.00 2.07 -1.41 3.98 116.25 121.46 1kee h VAL 702 Ca 0.01 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1kee h VAL 702 Cb 0.63 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1kee h VAL 702 CO 0.02 0.07 -0.11 -0.08 0.02 0.00 0.00 177.57 177.50 1kee h GLU 703 N 0.40 -0.30 -0.52 1.57 4.57 -1.48 -1.72 114.58 117.10 1kee h GLU 703 Ca 0.49 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.77 1kee h GLU 703 Cb 0.84 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.47 1kee h GLU 703 CO -0.48 0.08 0.35 -0.22 -1.18 0.00 0.00 179.01 177.56 1kee h LYS 704 N -0.84 0.36 -0.05 1.92 1.63 -0.21 -0.67 116.57 118.71 1kee h LYS 704 Ca -0.03 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1kee h LYS 704 Cb 0.51 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1kee h LYS 704 CO 0.05 0.24 0.00 0.00 -3.45 0.00 0.00 179.45 176.29 1kee h ALA 705 N 1.73 0.07 -0.93 5.00 0.00 0.77 -1.72 119.26 124.17 1kee h ALA 705 Ca 0.24 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.18 1kee h ALA 705 Cb 0.46 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 1kee h ALA 705 CO -0.06 -0.26 0.61 0.87 0.00 0.00 0.00 179.25 180.41 1kee h LYS 706 N -0.19 0.47 0.00 0.00 1.57 -0.20 0.58 116.57 118.81 1kee h LYS 706 Ca 0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1kee h LYS 706 Cb 0.32 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1kee h LYS 706 CO 0.00 0.31 0.00 0.39 -0.57 0.00 0.00 179.45 179.59 1kee n GLU 707 N -4.56 0.00 -0.18 3.15 1.02 -0.65 -4.08 120.64 115.33 1kee n GLU 707 Ca 0.20 0.18 -0.11 0.00 -0.02 0.00 0.00 57.16 57.42 1kee n GLU 707 Cb 0.67 -1.12 -0.06 0.00 -0.02 0.00 0.00 31.44 30.91 1kee n GLU 707 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1kee h ILE 708 N 0.00 0.05 0.00 -3.67 2.04 -0.92 -3.49 117.51 111.53 1kee h ILE 708 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1kee h ILE 708 Cb 0.00 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1kee h ILE 708 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1kee n GLY 709 N -1.39 2.68 3.81 5.37 0.00 0.20 -4.89 105.19 110.98 1kee n GLY 709 Ca -0.00 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1kee n GLY 709 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kee s TYR 710 N -0.98 3.37 0.75 1.61 1.51 -1.26 -4.33 117.35 118.01 1kee s TYR 710 Ca 0.00 1.63 -0.11 0.00 -1.01 0.00 0.00 57.07 57.58 1kee s TYR 710 Cb 0.00 -2.86 0.04 0.00 -0.11 0.00 0.00 41.96 39.03 1kee s TYR 710 CO 0.00 -0.06 1.08 -1.25 -1.11 0.00 0.00 175.55 174.22 1kee s PRO 711 N -3.00 2.51 0.05 -1.71 0.04 -1.26 -4.93 135.00 126.70 1kee s PRO 711 Ca 0.60 0.72 0.08 0.00 0.04 0.00 0.00 61.00 62.44 1kee s PRO 711 Cb -0.11 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1kee s PRO 711 CO 0.15 -1.34 -0.23 -0.51 0.04 0.00 0.00 177.00 175.11 1kee s LEU 712 N -5.63 2.19 -0.65 -3.56 1.02 0.35 0.05 118.68 112.45 1kee s LEU 712 Ca 0.59 -0.57 -0.07 0.00 0.02 0.00 0.00 54.13 54.10 1kee s LEU 712 Cb -0.14 -1.06 0.17 0.00 0.02 0.00 0.00 46.19 45.18 1kee s LEU 712 CO 0.54 0.18 0.51 -0.69 0.02 0.00 0.00 176.35 176.91 1kee s VAL 713 N -0.85 4.36 -0.62 -1.59 1.01 0.31 -0.34 120.40 122.68 1kee s VAL 713 Ca 0.09 -2.56 -0.28 0.00 0.00 0.00 0.00 61.98 59.23 1kee s VAL 713 Cb -0.09 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1kee s VAL 713 CO 0.02 -0.90 1.22 -0.69 0.00 0.00 0.00 175.10 174.75 1kee s VAL 714 N 0.32 3.94 -0.23 2.92 1.01 -0.83 -2.34 120.40 125.20 1kee s VAL 714 Ca 0.15 0.78 -0.07 0.00 0.00 0.00 0.00 61.98 62.84 1kee s VAL 714 Cb -0.19 -4.78 -0.03 0.00 0.00 0.00 0.00 36.38 31.38 1kee s VAL 714 CO -0.04 -1.47 0.07 -0.13 0.00 0.00 0.00 175.10 173.52 1kee s ARG 715 N 5.15 3.74 0.00 2.72 0.52 -0.49 -3.27 118.95 127.32 1kee s ARG 715 Ca 0.41 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 1kee s ARG 715 Cb -0.08 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.10 1kee s ARG 715 CO 0.23 -0.06 0.36 -0.35 0.02 0.00 0.00 175.30 175.50 1kee n PRO 716 N 4.55 0.00 -1.66 3.54 -0.05 -1.26 -0.47 135.00 139.64 1kee n PRO 716 Ca -0.16 0.43 0.00 0.00 -0.05 0.00 0.00 63.50 63.71 1kee n PRO 716 Cb 0.52 -1.12 0.00 0.00 -0.05 0.00 0.00 33.50 32.85 1kee n PRO 716 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1kee n ALA 724 N -1.78 -1.16 -2.62 0.55 0.00 -1.26 -4.16 120.51 110.09 1kee n ALA 724 Ca 0.00 0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.31 1kee n ALA 724 Cb 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 1kee n ALA 724 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1kee s MET 725 N -0.09 1.01 -0.03 0.00 1.00 -1.26 -5.05 119.30 114.89 1kee s MET 725 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 55.69 54.88 1kee s MET 725 Cb 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 34.83 33.83 1kee s MET 725 CO 0.00 0.26 0.23 -2.00 0.00 0.00 0.00 175.02 173.51 1kee s GLU 726 N -0.93 0.51 -0.06 2.03 2.12 -1.20 -4.76 118.70 116.40 1kee s GLU 726 Ca 0.03 -0.15 -0.11 0.00 0.36 0.00 0.00 54.97 55.10 1kee s GLU 726 Cb -0.07 0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.49 1kee s GLU 726 CO 0.01 -0.12 0.28 0.42 -0.54 0.00 0.00 175.26 175.30 1kee s ILE 727 N -1.01 5.27 -0.04 -3.70 1.01 -1.26 -1.96 121.20 119.51 1kee s ILE 727 Ca -0.11 0.53 0.07 0.00 0.00 0.00 0.00 60.65 61.14 1kee s ILE 727 Cb -0.05 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 1kee s ILE 727 CO 0.02 0.59 -0.25 -0.69 0.00 0.00 0.00 174.94 174.61 1kee s VAL 728 N -0.99 2.10 -0.23 2.92 1.01 0.54 -4.95 120.40 120.80 1kee s VAL 728 Ca 0.19 -1.07 0.09 0.00 0.00 0.00 0.00 61.98 61.19 1kee s VAL 728 Cb -0.14 -1.74 -0.20 0.00 0.00 0.00 0.00 36.38 34.29 1kee s VAL 728 CO 0.09 0.57 -0.09 -1.22 0.00 0.00 0.00 175.10 174.45 1kee n TYR 729 N 2.73 0.00 -4.28 5.22 4.02 -1.26 0.13 117.16 123.73 1kee n TYR 729 Ca -0.17 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.55 1kee n TYR 729 Cb 0.52 -0.98 -0.09 0.00 -0.02 0.00 0.00 39.34 38.77 1kee n TYR 729 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1kee s ASP 730 N -6.00 1.22 0.18 7.72 3.84 -1.26 -4.42 116.67 117.95 1kee s ASP 730 Ca -0.23 -1.60 -0.13 0.00 -0.00 0.00 0.00 52.55 50.58 1kee s ASP 730 Cb 0.07 0.47 0.16 0.00 -1.38 0.00 0.00 42.92 42.25 1kee s ASP 730 CO 0.69 -0.96 1.74 -0.08 -0.00 0.00 0.00 175.17 176.56 1kee h GLU 731 N 2.29 0.31 0.01 2.11 4.81 -1.97 0.18 114.58 122.32 1kee h GLU 731 Ca -0.30 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1kee h GLU 731 Cb 1.24 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 1kee h GLU 731 CO 0.45 0.21 -0.30 0.00 -0.73 0.00 0.00 179.01 178.63 1kee h ALA 732 N 1.33 -0.44 -1.00 2.92 0.00 -2.01 -1.62 119.26 118.44 1kee h ALA 732 Ca 0.23 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.31 1kee h ALA 732 Cb 0.26 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1kee h ALA 732 CO -0.25 -0.82 0.61 -0.44 0.00 0.00 0.00 179.25 178.36 1kee h ASP 733 N -0.46 0.76 0.59 0.00 3.45 -1.69 -2.40 116.42 116.67 1kee h ASP 733 Ca 0.06 0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.58 1kee h ASP 733 Cb 0.54 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.24 1kee h ASP 733 CO -0.25 0.28 -0.49 0.25 -1.57 0.00 0.00 179.24 177.46 1kee h LEU 734 N 0.74 -1.30 0.10 1.55 5.85 0.31 -1.64 115.31 120.92 1kee h LEU 734 Ca 0.56 0.09 0.01 0.00 0.84 0.00 0.00 57.88 59.39 1kee h LEU 734 Cb 0.90 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 1kee h LEU 734 CO -0.35 -0.68 -0.53 0.03 -0.34 0.00 0.00 178.44 176.57 1kee h ARG 735 N -1.05 -0.72 -0.72 1.25 3.08 -1.22 -0.05 114.38 114.95 1kee h ARG 735 Ca -0.08 0.05 0.24 0.00 0.07 0.00 0.00 59.98 60.26 1kee h ARG 735 Cb 0.88 0.16 -0.13 0.00 0.08 0.00 0.00 29.97 30.96 1kee h ARG 735 CO -0.00 -0.48 0.15 -2.13 -1.07 0.00 0.00 179.97 176.44 1kee n ARG 736 N -5.47 -0.05 0.18 0.04 0.63 -0.93 0.30 116.66 111.36 1kee n ARG 736 Ca -0.08 1.05 -0.13 0.00 -0.92 0.00 0.00 57.85 57.77 1kee n ARG 736 Cb 0.41 -1.74 -0.07 0.00 0.45 0.00 0.00 32.46 31.50 1kee n ARG 736 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1kee h TYR 737 N 0.00 -0.45 -1.08 -0.14 5.03 -0.27 -3.16 116.97 116.91 1kee h TYR 737 Ca 0.50 -0.01 0.42 0.00 2.58 0.00 0.00 58.73 62.22 1kee h TYR 737 Cb 1.17 0.15 -0.17 0.00 1.55 0.00 0.00 36.73 39.43 1kee h TYR 737 CO -0.24 -0.11 0.62 0.74 -1.32 0.00 0.00 178.16 177.85 1kee h PHE 738 N -0.89 0.77 0.00 -3.82 0.04 0.65 0.71 116.94 114.40 1kee h PHE 738 Ca -0.05 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1kee h PHE 738 Cb 0.54 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1kee h PHE 738 CO 0.03 -0.40 0.00 0.94 -0.60 0.00 0.00 178.31 178.28 1kee n GLN 739 N -5.12 0.00 -0.38 1.51 7.27 0.76 -2.89 117.38 118.53 1kee n GLN 739 Ca 0.38 0.12 0.32 0.00 0.07 0.00 0.00 57.00 57.88 1kee n GLN 739 Cb 1.31 -0.97 0.64 0.00 2.41 0.00 0.00 30.24 33.62 1kee n GLN 739 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1kee h THR 740 N 0.00 0.35 -0.40 1.69 1.35 -1.41 -3.52 112.91 110.98 1kee h THR 740 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1kee h THR 740 Cb 0.00 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 66.59 1kee h THR 740 CO 0.00 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 1kee n ALA 741 N -2.61 0.00 0.00 6.62 0.00 0.24 -5.13 120.51 119.64 1kee n ALA 741 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1kee n ALA 741 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.65 1kee n ALA 741 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1kee n VAL 750 N -1.84 0.00 -3.10 0.00 0.31 -1.26 -5.05 118.33 107.40 1kee n VAL 750 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1kee n VAL 750 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1kee n VAL 750 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1kee s LEU 751 N 0.00 4.18 -0.14 7.52 1.02 0.38 -1.88 118.68 129.75 1kee s LEU 751 Ca 0.00 0.91 -0.07 0.00 0.02 0.00 0.00 54.13 55.00 1kee s LEU 751 Cb 0.00 -2.94 -0.04 0.00 0.02 0.00 0.00 46.19 43.23 1kee s LEU 751 CO 0.00 -0.25 0.09 -0.76 0.02 0.00 0.00 176.35 175.45 1kee s LEU 752 N 1.73 4.05 -0.02 1.79 1.02 0.20 -1.39 118.68 126.04 1kee s LEU 752 Ca 0.31 0.26 -0.01 0.00 0.02 0.00 0.00 54.13 54.71 1kee s LEU 752 Cb -0.16 -1.99 0.02 0.00 0.02 0.00 0.00 46.19 44.08 1kee s LEU 752 CO 0.11 0.31 0.05 -1.81 0.02 0.00 0.00 176.35 175.03 1kee s ASP 753 N -0.42 0.02 0.28 2.29 1.11 -0.99 -1.30 116.67 117.66 1kee s ASP 753 Ca 0.10 0.08 -0.30 0.00 0.18 0.00 0.00 52.55 52.62 1kee s ASP 753 Cb -0.12 -0.00 -0.11 0.00 1.07 0.00 0.00 42.92 43.76 1kee s ASP 753 CO 0.02 -0.10 1.51 -2.28 1.18 0.00 0.00 175.17 175.49 1kee s HIS 754 N 0.85 2.87 -0.30 4.23 5.65 -0.16 0.11 115.29 128.54 1kee s HIS 754 Ca -0.07 0.93 -0.21 0.00 0.25 0.00 0.00 55.06 55.96 1kee s HIS 754 Cb -0.10 -3.94 -0.01 0.00 -1.18 0.00 0.00 32.58 27.35 1kee s HIS 754 CO -0.03 -3.09 0.66 0.12 -0.65 0.00 0.00 174.74 171.75 1kee s PHE 755 N -0.09 3.22 -0.96 3.88 5.36 0.11 -4.72 117.98 124.78 1kee s PHE 755 Ca 0.61 0.66 -0.24 0.00 -0.96 0.00 0.00 56.93 57.00 1kee s PHE 755 Cb -0.45 -3.01 -0.00 0.00 -0.34 0.00 0.00 43.02 39.22 1kee s PHE 755 CO 0.47 -0.47 1.72 -0.51 -1.46 0.00 0.00 175.22 174.97 1kee s LEU 756 N 2.65 3.32 0.72 6.12 1.43 -1.26 -4.50 118.68 127.17 1kee s LEU 756 Ca 0.27 -1.06 -0.14 0.00 -1.03 0.00 0.00 54.13 52.17 1kee s LEU 756 Cb -0.15 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.54 1kee s LEU 756 CO 0.11 -2.17 1.14 -0.62 0.23 0.00 0.00 176.35 175.04 1kee s ASP 757 N 6.58 4.55 -1.75 2.29 3.68 -1.26 -3.74 116.67 127.03 1kee s ASP 757 Ca 0.59 2.09 -0.20 0.00 2.13 0.00 0.00 52.55 57.16 1kee s ASP 757 Cb -0.03 -2.56 0.18 0.00 -1.45 0.00 0.00 42.92 39.06 1kee s ASP 757 CO -0.05 -2.01 0.73 0.47 0.13 0.00 0.00 175.17 174.44 1kee n ASP 758 N -2.84 -2.83 -4.68 -0.34 9.92 -1.26 -4.96 116.55 109.56 1kee n ASP 758 Ca 0.11 -1.08 -0.28 0.00 -0.53 0.00 0.00 54.79 53.01 1kee n ASP 758 Cb 0.52 -2.43 -0.08 0.00 -0.64 0.00 0.00 41.12 38.49 1kee n ASP 758 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kee s ALA 759 N -3.30 3.25 -0.13 2.24 0.00 -1.25 -4.86 121.76 117.71 1kee s ALA 759 Ca 0.75 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 1kee s ALA 759 Cb -0.42 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1kee s ALA 759 CO 0.96 0.60 0.55 0.08 0.00 0.00 0.00 175.76 177.95 1kee s VAL 760 N -1.48 5.12 0.09 0.00 1.01 -0.97 -1.96 120.40 122.22 1kee s VAL 760 Ca 0.26 1.09 -0.16 0.00 0.00 0.00 0.00 61.98 63.17 1kee s VAL 760 Cb -0.11 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 1kee s VAL 760 CO 0.18 0.25 0.53 -0.70 0.00 0.00 0.00 175.10 175.37 1kee s GLU 761 N 1.01 4.04 0.01 2.72 2.12 -1.26 -0.86 118.70 126.48 1kee s GLU 761 Ca 0.28 0.56 0.01 0.00 0.36 0.00 0.00 54.97 56.18 1kee s GLU 761 Cb -0.16 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 1kee s GLU 761 CO 0.12 0.58 -0.02 0.08 -0.54 0.00 0.00 175.26 175.47 1kee s VAL 762 N -1.27 0.16 -0.10 3.70 1.01 -0.45 -1.22 120.40 122.24 1kee s VAL 762 Ca 0.32 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1kee s VAL 762 Cb -0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1kee s VAL 762 CO 0.18 -0.10 -0.17 -1.81 0.00 0.00 0.00 175.10 173.20 1kee s ASP 763 N -0.43 3.67 -0.11 3.32 1.11 -0.43 -1.39 116.67 122.41 1kee s ASP 763 Ca -0.03 -0.39 0.01 0.00 0.18 0.00 0.00 52.55 52.32 1kee s ASP 763 Cb -0.03 -1.34 0.02 0.00 1.07 0.00 0.00 42.92 42.64 1kee s ASP 763 CO -0.00 0.20 -0.12 -0.69 1.18 0.00 0.00 175.17 175.74 1kee s VAL 764 N 0.11 1.32 -0.13 -1.27 1.01 0.25 -1.49 120.40 120.20 1kee s VAL 764 Ca -0.08 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1kee s VAL 764 Cb -0.15 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1kee s VAL 764 CO 0.05 0.41 -0.03 -1.81 0.00 0.00 0.00 175.10 173.73 1kee s ASP 765 N 1.28 4.93 0.24 3.32 -0.00 -0.88 -0.12 116.67 125.44 1kee s ASP 765 Ca -0.02 -0.04 -0.10 0.00 -0.00 0.00 0.00 52.55 52.39 1kee s ASP 765 Cb -0.14 -1.63 -0.01 0.00 -0.00 0.00 0.00 42.92 41.15 1kee s ASP 765 CO -0.05 0.25 0.42 0.00 -0.00 0.00 0.00 175.17 175.79 1kee s ALA 766 N -0.11 0.04 -0.06 5.23 0.00 0.11 -0.97 121.76 126.00 1kee s ALA 766 Ca 0.03 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1kee s ALA 766 Cb -0.13 1.13 0.00 0.00 0.00 0.00 0.00 23.12 24.12 1kee s ALA 766 CO 0.02 -0.81 -0.18 0.42 0.00 0.00 0.00 175.76 175.22 1kee s ILE 767 N -4.00 1.51 -0.02 0.00 1.01 -0.35 -0.62 121.20 118.74 1kee s ILE 767 Ca 0.26 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.23 1kee s ILE 767 Cb 0.01 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1kee s ILE 767 CO 0.10 0.44 -0.19 0.00 0.00 0.00 0.00 174.94 175.29 1kee n ASP 769 N 2.62 2.01 0.00 0.00 3.85 -1.01 -1.68 116.55 122.34 1kee n ASP 769 Ca -0.15 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 51.93 1kee n ASP 769 Cb 0.53 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 1kee n ASP 769 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kee n GLY 770 N -0.50 3.18 0.13 6.12 0.00 -1.26 -4.78 105.19 108.08 1kee n GLY 770 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1kee n GLY 770 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kee n GLU 771 N -1.21 0.60 -4.19 1.61 1.02 -1.26 -5.05 120.64 112.16 1kee n GLU 771 Ca 0.00 0.37 -0.16 0.00 -0.02 0.00 0.00 57.16 57.35 1kee n GLU 771 Cb 0.00 -1.61 -0.07 0.00 -0.02 0.00 0.00 31.44 29.74 1kee n GLU 771 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kee s MET 772 N -2.46 1.73 -0.08 3.49 0.23 -1.26 -5.15 119.30 115.80 1kee s MET 772 Ca -0.33 -1.85 0.00 0.00 -1.03 0.00 0.00 55.69 52.48 1kee s MET 772 Cb 0.10 0.37 0.02 0.00 -1.53 0.00 0.00 34.83 33.79 1kee s MET 772 CO 0.56 -0.67 -0.07 0.08 -2.03 0.00 0.00 175.02 172.90 1kee s VAL 773 N -3.42 0.86 -0.23 5.16 1.01 -1.26 -2.40 120.40 120.12 1kee s VAL 773 Ca 0.36 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 1kee s VAL 773 Cb 0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1kee s VAL 773 CO 0.22 0.32 0.07 -0.22 0.00 0.00 0.00 175.10 175.49 1kee s LEU 774 N 1.31 3.54 -0.37 3.92 2.96 0.12 -4.96 118.68 125.20 1kee s LEU 774 Ca -0.03 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.45 1kee s LEU 774 Cb -0.14 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.64 1kee s LEU 774 CO -0.03 0.02 1.12 -0.63 -1.32 0.00 0.00 176.35 175.51 1kee s ILE 775 N 1.29 4.37 -0.08 6.68 -1.09 -1.26 -1.21 121.20 129.91 1kee s ILE 775 Ca 0.05 1.53 -0.26 0.00 -2.23 0.00 0.00 60.65 59.74 1kee s ILE 775 Cb -0.15 -4.45 -0.24 0.00 -1.58 0.00 0.00 42.46 36.04 1kee s ILE 775 CO 0.04 -0.65 0.97 1.23 -1.23 0.00 0.00 174.94 175.29 1kee h GLY 776 N 10.55 0.12 -5.64 6.18 0.00 -1.40 -3.40 103.07 109.47 1kee h GLY 776 Ca -0.22 -0.22 0.10 0.00 0.00 0.00 0.00 47.33 47.00 1kee h GLY 776 CO 1.06 0.19 0.55 -0.32 0.00 0.00 0.00 176.54 178.03 1kee s GLY 777 N -3.95 0.01 -0.26 4.60 0.00 -0.93 -4.81 107.32 101.97 1kee s GLY 777 Ca -0.17 2.98 -0.05 0.00 0.00 0.00 0.00 44.72 47.48 1kee s GLY 777 CO 0.72 1.99 0.01 -0.42 0.00 0.00 0.00 173.10 175.41 1kee s ILE 778 N 0.36 3.53 -0.15 0.90 1.01 -1.26 -2.06 121.20 123.52 1kee s ILE 778 Ca 0.02 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1kee s ILE 778 Cb -0.05 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 1kee s ILE 778 CO -0.10 0.19 -0.16 -0.04 0.00 0.00 0.00 174.94 174.84 1kee s MET 779 N 1.44 3.23 -0.35 2.79 -1.94 -0.56 -4.03 119.30 119.88 1kee s MET 779 Ca 0.03 -0.75 -0.14 0.00 -1.71 0.00 0.00 55.69 53.11 1kee s MET 779 Cb -0.16 -2.60 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 1kee s MET 779 CO -0.01 0.06 0.31 -2.00 -0.01 0.00 0.00 175.02 173.38 1kee s GLU 780 N 0.69 3.45 0.48 2.03 2.12 0.61 -1.31 118.70 126.76 1kee s GLU 780 Ca -0.07 -0.59 -0.23 0.00 0.36 0.00 0.00 54.97 54.44 1kee s GLU 780 Cb -0.16 -3.83 -0.07 0.00 0.26 0.00 0.00 34.13 30.33 1kee s GLU 780 CO 0.02 -0.54 1.21 -1.01 -0.54 0.00 0.00 175.26 174.41 1kee s HIS 781 N 1.88 2.74 -0.10 5.30 3.76 -0.35 -1.16 115.29 127.35 1kee s HIS 781 Ca 0.09 1.50 -0.27 0.00 -0.15 0.00 0.00 55.06 56.23 1kee s HIS 781 Cb -0.17 -3.48 -0.23 0.00 1.11 0.00 0.00 32.58 29.80 1kee s HIS 781 CO 0.11 -1.84 0.88 0.82 -0.85 0.00 0.00 174.74 173.86 1kee h ILE 782 N 1.80 1.58 -4.09 0.60 5.03 -1.47 -3.42 117.51 117.54 1kee h ILE 782 Ca -0.50 -1.93 -0.46 0.00 -0.12 0.00 0.00 64.86 61.86 1kee h ILE 782 Cb 1.26 2.86 0.00 0.00 -3.03 0.00 0.00 36.82 37.92 1kee h ILE 782 CO 0.60 0.49 0.36 -1.61 -0.68 0.00 0.00 178.15 177.31 1kee s GLU 783 N -2.79 4.00 1.10 2.37 8.01 -1.26 -4.42 118.70 125.72 1kee s GLU 783 Ca -0.17 1.17 -0.17 0.00 0.01 0.00 0.00 54.97 55.81 1kee s GLU 783 Cb -0.02 -2.14 0.25 0.00 -4.31 0.00 0.00 34.13 27.91 1kee s GLU 783 CO 0.65 -0.23 1.16 1.14 0.01 0.00 0.00 175.26 177.99 1kee s GLN 784 N -3.39 -0.45 0.26 1.61 0.00 -1.26 -4.39 119.66 112.04 1kee s GLN 784 Ca 0.63 -0.06 -0.30 0.00 -0.00 0.00 0.00 55.36 55.63 1kee s GLN 784 Cb -0.12 -1.69 -0.10 0.00 0.00 0.00 0.00 33.01 31.11 1kee s GLN 784 CO 0.19 -3.20 1.41 0.00 0.00 0.00 0.00 175.29 173.70 1kee s ALA 785 N -3.23 3.60 0.00 2.60 0.00 -0.83 -2.66 121.76 121.25 1kee s ALA 785 Ca 0.70 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1kee s ALA 785 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1kee s ALA 785 CO 0.55 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1kee n GLY 786 N 2.02 1.68 3.32 0.00 0.00 -1.26 -4.80 105.19 106.16 1kee n GLY 786 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1kee n GLY 786 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 787 N -1.47 4.11 0.08 1.61 1.01 -1.09 -1.22 120.40 123.43 1kee s VAL 787 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.69 1kee s VAL 787 Cb 0.00 -3.31 -0.16 0.00 0.00 0.00 0.00 36.38 32.92 1kee s VAL 787 CO 0.00 -0.19 0.68 1.57 0.00 0.00 0.00 175.10 177.16 1kee n HIS 788 N 4.89 0.08 -0.14 5.22 -0.00 0.17 -4.69 115.22 120.75 1kee n HIS 788 Ca -0.12 0.85 0.11 0.00 0.46 0.00 0.00 57.72 59.02 1kee n HIS 788 Cb 0.45 -1.70 0.44 0.00 -0.12 0.00 0.00 29.99 29.07 1kee n HIS 788 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1kee h SER 789 N 1.71 0.49 0.35 0.26 4.64 -1.92 0.23 113.55 119.31 1kee h SER 789 Ca -0.34 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1kee h SER 789 Cb 1.20 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1kee h SER 789 CO 0.51 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 1kee n GLY 790 N -1.49 -0.98 0.26 -0.77 0.00 -1.26 -2.07 105.19 98.88 1kee n GLY 790 Ca 0.11 0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.25 1kee n GLY 790 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kee n ASP 791 N -2.00 1.66 -4.87 1.61 8.00 0.04 -4.70 116.55 116.28 1kee n ASP 791 Ca 0.01 -1.37 -0.33 0.00 0.71 0.00 0.00 54.79 53.82 1kee n ASP 791 Cb 0.12 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 1kee n ASP 791 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1kee s SER 792 N -0.59 6.62 0.61 -2.24 0.01 -0.88 -4.77 113.70 112.46 1kee s SER 792 Ca 0.08 0.83 -0.10 0.00 1.31 0.00 0.00 55.95 58.07 1kee s SER 792 Cb 0.05 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 64.06 1kee s SER 792 CO 0.08 0.04 1.00 0.00 0.41 0.00 0.00 173.24 174.77 1kee s ALA 793 N -1.63 3.13 0.20 1.44 0.00 -1.26 -4.69 121.76 118.95 1kee s ALA 793 Ca 0.41 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 1kee s ALA 793 Cb -0.13 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1kee s ALA 793 CO 0.21 -0.69 0.40 0.00 0.00 0.00 0.00 175.76 175.67 1kee s SER 795 N -2.96 1.63 -0.18 0.00 0.15 -0.31 -1.17 113.70 110.86 1kee s SER 795 Ca 0.17 -0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.53 1kee s SER 795 Cb 0.01 -0.20 0.06 0.00 -1.71 0.00 0.00 66.02 64.18 1kee s SER 795 CO 0.02 0.17 0.06 -0.22 1.20 0.00 0.00 173.24 174.47 1kee s LEU 796 N -0.29 0.76 0.68 3.45 0.20 0.81 -0.28 118.68 124.01 1kee s LEU 796 Ca 0.05 -0.72 -0.11 0.00 0.69 0.00 0.00 54.13 54.03 1kee s LEU 796 Cb -0.06 -0.42 -0.00 0.00 -0.43 0.00 0.00 46.19 45.29 1kee s LEU 796 CO -0.00 -0.33 1.07 -2.16 -0.29 0.00 0.00 176.35 174.64 1kee s PRO 797 N 2.00 3.07 0.44 0.98 0.04 -1.26 -0.55 135.00 139.73 1kee s PRO 797 Ca 0.01 0.58 -0.21 0.00 0.04 0.00 0.00 61.00 61.41 1kee s PRO 797 Cb -0.17 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 1kee s PRO 797 CO -0.09 -0.91 0.37 0.00 0.04 0.00 0.00 177.00 176.42 1kee n ALA 798 N -2.94 -1.96 0.35 8.56 0.00 -1.23 -4.87 120.51 118.42 1kee n ALA 798 Ca 0.07 0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.66 1kee n ALA 798 Cb 0.56 -1.68 0.02 0.00 0.00 0.00 0.00 19.45 18.35 1kee n ALA 798 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1kee n TYR 799 N -1.07 0.00 0.00 0.00 0.18 -1.26 -4.80 117.16 110.22 1kee n TYR 799 Ca 0.11 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.89 1kee n TYR 799 Cb 0.41 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.37 1kee n TYR 799 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1kee n THR 800 N 0.10 0.00 -1.63 -3.48 -2.24 -1.26 -5.10 114.28 100.67 1kee n THR 800 Ca 0.04 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.38 1kee n THR 800 Cb 0.19 -0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 1kee n THR 800 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1kee n LEU 801 N -1.80 2.47 -4.85 3.22 4.77 -1.26 -4.97 117.00 114.58 1kee n LEU 801 Ca 0.00 1.19 -0.32 0.00 -0.03 0.00 0.00 56.01 56.85 1kee n LEU 801 Cb 0.17 -1.36 -0.02 0.00 -2.33 0.00 0.00 43.42 39.88 1kee n LEU 801 CO 0.00 -1.03 0.68 -0.94 -1.33 0.00 0.00 177.39 174.78 1kee s SER 802 N -0.40 6.49 0.18 -1.43 1.04 -1.26 -4.90 113.70 113.41 1kee s SER 802 Ca 0.59 1.50 -0.11 0.00 0.48 0.00 0.00 55.95 58.41 1kee s SER 802 Cb -0.66 -2.49 0.09 0.00 0.10 0.00 0.00 66.02 63.06 1kee s SER 802 CO 0.60 -0.68 1.73 -0.61 0.98 0.00 0.00 173.24 175.26 1kee h GLN 803 N 0.51 0.95 -0.97 4.02 5.75 -1.99 0.77 115.11 124.15 1kee h GLN 803 Ca -0.46 -0.18 0.10 0.00 -0.15 0.00 0.00 58.65 57.96 1kee h GLN 803 Cb 1.19 -0.15 -0.07 0.00 1.07 0.00 0.00 27.48 29.51 1kee h GLN 803 CO 0.62 0.81 0.62 1.49 -2.65 0.00 0.00 178.83 179.72 1kee h GLU 804 N 0.89 0.99 -0.04 1.69 4.81 -2.00 0.91 114.58 121.83 1kee h GLU 804 Ca 0.21 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 59.12 1kee h GLU 804 Cb 0.22 -0.22 0.02 0.00 0.63 0.00 0.00 28.75 29.40 1kee h GLU 804 CO -0.01 0.66 -0.97 0.97 -0.73 0.00 0.00 179.01 178.92 1kee h ILE 805 N 1.02 1.28 -0.64 2.32 2.10 -1.61 -3.12 117.51 118.86 1kee h ILE 805 Ca 0.45 -2.17 0.04 0.00 1.08 0.00 0.00 64.86 64.27 1kee h ILE 805 Cb 0.36 2.27 -0.05 0.00 -1.09 0.00 0.00 36.82 38.32 1kee h ILE 805 CO -0.21 0.68 0.38 1.56 -1.08 0.00 0.00 178.15 179.47 1kee h GLN 806 N 0.43 0.70 -0.96 2.19 4.20 -0.27 -1.24 115.11 120.16 1kee h GLN 806 Ca -0.11 -0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.73 1kee h GLN 806 Cb 1.62 -0.16 -0.09 0.00 0.30 0.00 0.00 27.48 29.15 1kee h GLN 806 CO 0.19 0.46 0.61 -0.44 -0.67 0.00 0.00 178.83 178.98 1kee h ASP 807 N 0.72 0.70 -0.03 1.46 3.45 -0.85 0.44 116.42 122.32 1kee h ASP 807 Ca 0.27 0.07 -0.15 0.00 0.43 0.00 0.00 57.03 57.65 1kee h ASP 807 Cb 0.09 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 1kee h ASP 807 CO -0.14 0.30 -0.47 0.58 -1.57 0.00 0.00 179.24 177.94 1kee h VAL 808 N 0.71 1.31 -0.29 -1.35 2.07 -1.17 -1.22 116.25 116.31 1kee h VAL 808 Ca 0.52 -1.68 -0.18 0.00 0.82 0.00 0.00 66.70 66.17 1kee h VAL 808 Cb 0.86 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1kee h VAL 808 CO -0.28 0.53 -0.54 0.24 0.02 0.00 0.00 177.57 177.54 1kee h MET 809 N 0.46 0.86 -0.65 1.57 2.86 -0.74 -1.13 114.93 118.16 1kee h MET 809 Ca 0.03 -0.54 0.06 0.00 -2.06 0.00 0.00 59.70 57.18 1kee h MET 809 Cb 1.00 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.67 1kee h MET 809 CO 0.09 1.18 0.36 0.00 1.06 0.00 0.00 176.91 179.60 1kee h ARG 810 N 0.66 0.65 -0.55 1.72 3.08 0.09 -0.83 114.38 119.19 1kee h ARG 810 Ca 0.02 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1kee h ARG 810 Cb 1.14 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 1kee h ARG 810 CO 0.12 0.43 -0.09 0.37 -1.07 0.00 0.00 179.97 179.72 1kee h GLN 811 N 0.67 1.04 -0.25 0.04 4.15 -1.00 -2.95 115.11 116.81 1kee h GLN 811 Ca 0.29 -0.38 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 1kee h GLN 811 Cb 0.18 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1kee h GLN 811 CO -0.18 1.07 -0.02 1.96 -1.93 0.00 0.00 178.83 179.73 1kee h GLN 812 N 0.92 0.37 0.52 1.69 4.20 -0.69 -2.28 115.11 119.84 1kee h GLN 812 Ca 0.15 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1kee h GLN 812 Cb 0.67 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.39 1kee h GLN 812 CO 0.05 0.42 -0.25 0.28 -0.67 0.00 0.00 178.83 178.66 1kee h VAL 813 N 0.36 0.42 -0.47 -0.54 2.07 -1.00 -2.00 116.25 115.08 1kee h VAL 813 Ca 0.08 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.37 1kee h VAL 813 Cb 0.28 0.54 -0.10 0.00 -1.52 0.00 0.00 31.29 30.49 1kee h VAL 813 CO 0.01 0.05 -0.35 -0.61 0.02 0.00 0.00 177.57 176.68 1kee h GLN 814 N -0.91 -0.23 -0.94 1.57 4.15 -1.43 0.53 115.11 117.86 1kee h GLN 814 Ca -0.07 0.02 0.23 0.00 0.77 0.00 0.00 58.65 59.59 1kee h GLN 814 Cb 0.61 0.05 -0.12 0.00 0.21 0.00 0.00 27.48 28.23 1kee h GLN 814 CO 0.12 -0.15 0.48 0.87 -1.93 0.00 0.00 178.83 178.21 1kee h LYS 815 N -0.23 0.47 -0.19 1.69 1.57 -1.34 -0.09 116.57 118.45 1kee h LYS 815 Ca 0.19 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1kee h LYS 815 Cb 0.55 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1kee h LYS 815 CO -0.60 0.31 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.02 1kee h LEU 816 N 0.49 0.77 -0.86 2.94 3.38 0.23 -2.12 115.31 120.14 1kee h LEU 816 Ca 0.59 -0.57 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1kee h LEU 816 Cb 1.10 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1kee h LEU 816 CO -0.50 1.21 0.54 0.00 0.09 0.00 0.00 178.44 179.78 1kee h ALA 817 N 0.58 1.16 0.15 1.53 0.00 0.17 0.87 119.26 123.73 1kee h ALA 817 Ca -0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1kee h ALA 817 Cb 1.12 -0.26 0.03 0.00 0.00 0.00 0.00 17.79 18.68 1kee h ALA 817 CO 0.11 0.33 -1.07 0.74 0.00 0.00 0.00 179.25 179.36 1kee h PHE 818 N 1.01 0.78 -0.12 0.00 0.04 -1.42 0.24 116.94 117.48 1kee h PHE 818 Ca 0.36 -0.53 0.03 0.00 2.80 0.00 0.00 57.97 60.63 1kee h PHE 818 Cb 0.10 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 1kee h PHE 818 CO -0.03 1.40 -0.07 1.49 -0.60 0.00 0.00 178.31 180.50 1kee h GLU 819 N -0.06 -0.07 0.00 1.51 4.57 -1.15 -1.75 114.58 117.64 1kee h GLU 819 Ca -0.18 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.98 1kee h GLU 819 Cb 1.81 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.41 1kee h GLU 819 CO 0.20 -0.05 -0.15 -0.07 -1.18 0.00 0.00 179.01 177.76 1kee h LEU 820 N -0.08 0.00 -2.10 1.64 3.38 -0.93 -3.47 115.31 113.75 1kee h LEU 820 Ca 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1kee h LEU 820 Cb 0.18 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.98 1kee h LEU 820 CO -0.16 0.15 -0.21 0.00 0.09 0.00 0.00 178.44 178.31 1kee n GLN 821 N -3.36 -1.53 -2.39 1.13 1.13 -0.66 -4.78 117.38 106.93 1kee n GLN 821 Ca -0.00 0.23 -0.42 0.00 -1.94 0.00 0.00 57.00 54.87 1kee n GLN 821 Cb 0.36 -3.25 -0.03 0.00 0.11 0.00 0.00 30.24 27.43 1kee n GLN 821 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1kee s VAL 822 N -3.10 3.94 -0.39 5.09 1.01 0.79 -4.66 120.40 123.08 1kee s VAL 822 Ca 0.03 1.39 0.01 0.00 0.00 0.00 0.00 61.98 63.41 1kee s VAL 822 Cb -0.00 -3.89 0.12 0.00 0.00 0.00 0.00 36.38 32.61 1kee s VAL 822 CO 0.20 0.11 0.19 -0.13 0.00 0.00 0.00 175.10 175.46 1kee s ARG 823 N 1.06 1.08 0.00 2.72 1.81 -1.26 -4.19 118.95 120.18 1kee s ARG 823 Ca 0.59 -1.69 0.00 0.00 -1.72 0.00 0.00 55.73 52.91 1kee s ARG 823 Cb -0.30 -2.20 0.00 0.00 -0.45 0.00 0.00 34.95 31.99 1kee s ARG 823 CO 0.29 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.22 1kee n GLY 824 N 3.97 0.25 3.91 -3.53 0.00 -0.68 -1.00 105.19 108.12 1kee n GLY 824 Ca 0.06 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 1kee n GLY 824 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kee s LEU 825 N 0.00 3.99 0.08 0.99 1.43 -1.26 -2.14 118.68 121.77 1kee s LEU 825 Ca 0.00 0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 53.58 1kee s LEU 825 Cb 0.00 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.73 1kee s LEU 825 CO 0.00 -0.27 0.51 0.00 0.23 0.00 0.00 176.35 176.82 1kee s MET 826 N -3.87 1.08 -0.00 1.70 0.23 0.21 -2.92 119.30 115.73 1kee s MET 826 Ca 0.44 -0.37 0.02 0.00 -1.03 0.00 0.00 55.69 54.75 1kee s MET 826 Cb -0.10 0.49 -0.01 0.00 -1.53 0.00 0.00 34.83 33.68 1kee s MET 826 CO 0.33 -0.41 -0.07 1.21 -2.03 0.00 0.00 175.02 174.05 1kee s ASN 827 N -2.26 0.80 -0.03 -1.18 3.84 0.33 -0.71 114.94 115.73 1kee s ASN 827 Ca -0.03 -0.15 0.01 0.00 0.21 0.00 0.00 52.86 52.91 1kee s ASN 827 Cb -0.00 -0.08 0.02 0.00 -0.55 0.00 0.00 41.25 40.63 1kee s ASN 827 CO -0.06 0.06 -0.05 -0.69 -2.79 0.00 0.00 177.10 173.58 1kee s VAL 828 N -0.24 0.55 -0.19 -5.21 1.01 0.83 -0.21 120.40 116.94 1kee s VAL 828 Ca 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1kee s VAL 828 Cb -0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1kee s VAL 828 CO -0.00 0.21 -0.07 -1.10 0.00 0.00 0.00 175.10 174.14 1kee s GLN 829 N 0.65 3.40 0.37 2.72 -0.21 -0.43 0.87 119.66 127.03 1kee s GLN 829 Ca -0.09 -0.63 0.08 0.00 0.02 0.00 0.00 55.36 54.74 1kee s GLN 829 Cb -0.12 -2.89 -0.06 0.00 1.00 0.00 0.00 33.01 30.93 1kee s GLN 829 CO 0.00 -0.05 0.01 -0.06 -2.12 0.00 0.00 175.29 173.08 1kee s PHE 830 N 1.07 2.52 -0.04 0.91 0.08 -0.49 -0.78 117.98 121.24 1kee s PHE 830 Ca 0.01 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.52 1kee s PHE 830 Cb -0.15 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 40.71 1kee s PHE 830 CO -0.01 0.45 -0.03 0.00 -0.10 0.00 0.00 175.22 175.53 1kee s ALA 831 N -2.61 0.61 -0.42 5.36 0.00 -0.24 -1.34 121.76 123.13 1kee s ALA 831 Ca 0.35 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 52.21 1kee s ALA 831 Cb 0.04 -0.43 0.09 0.00 0.00 0.00 0.00 23.12 22.82 1kee s ALA 831 CO 0.19 -0.06 0.25 0.08 0.00 0.00 0.00 175.76 176.22 1kee s VAL 832 N 1.02 4.02 -0.16 0.00 1.01 -0.04 -0.38 120.40 125.87 1kee s VAL 832 Ca -0.10 -1.55 0.01 0.00 0.00 0.00 0.00 61.98 60.34 1kee s VAL 832 Cb -0.14 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1kee s VAL 832 CO -0.01 -0.55 -0.18 -0.75 0.00 0.00 0.00 175.10 173.61 1kee s LYS 833 N 1.37 3.11 -1.30 2.72 2.20 -0.37 -2.28 119.74 125.18 1kee s LYS 833 Ca 0.04 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 54.83 1kee s LYS 833 Cb -0.23 -2.58 -0.00 0.00 -1.51 0.00 0.00 37.83 33.51 1kee s LYS 833 CO 0.01 -0.07 0.65 0.09 -0.36 0.00 0.00 175.35 175.67 1kee n ASN 834 N 4.26 -1.56 -1.14 1.43 5.03 -1.26 -0.74 115.26 121.28 1kee n ASN 834 Ca -0.20 -0.88 -0.14 0.00 0.87 0.00 0.00 54.58 54.23 1kee n ASN 834 Cb 0.51 -3.80 -0.06 0.00 -1.02 0.00 0.00 39.78 35.42 1kee n ASN 834 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1kee n ASN 835 N -3.01 -5.19 -4.59 6.41 4.05 -1.26 -4.93 115.26 106.74 1kee n ASN 835 Ca -0.28 0.35 -0.32 0.00 0.45 0.00 0.00 54.58 54.79 1kee n ASN 835 Cb 0.67 -4.18 -0.10 0.00 1.23 0.00 0.00 39.78 37.39 1kee n ASN 835 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1kee s GLU 836 N -3.15 2.51 -0.25 1.20 2.02 0.08 -5.06 118.70 116.04 1kee s GLU 836 Ca 0.00 -0.75 -0.07 0.00 0.02 0.00 0.00 54.97 54.17 1kee s GLU 836 Cb 0.00 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.73 1kee s GLU 836 CO 0.00 0.59 0.07 0.08 0.02 0.00 0.00 175.26 176.02 1kee s VAL 837 N -1.00 4.27 0.01 2.63 1.01 -1.26 -1.23 120.40 124.82 1kee s VAL 837 Ca 0.17 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1kee s VAL 837 Cb -0.11 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1kee s VAL 837 CO 0.08 0.31 -0.02 -0.31 0.00 0.00 0.00 175.10 175.16 1kee s TYR 838 N 1.60 3.02 -0.31 5.22 2.02 0.49 -4.42 117.35 124.97 1kee s TYR 838 Ca 0.06 0.04 -0.15 0.00 -0.37 0.00 0.00 57.07 56.65 1kee s TYR 838 Cb -0.15 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1kee s TYR 838 CO 0.03 0.44 0.36 -1.17 -1.57 0.00 0.00 175.55 173.64 1kee s LEU 839 N -1.57 4.22 -0.19 -1.29 2.96 0.10 -1.07 118.68 121.84 1kee s LEU 839 Ca 0.19 0.03 -0.23 0.00 -0.22 0.00 0.00 54.13 53.90 1kee s LEU 839 Cb -0.11 -2.37 -0.20 0.00 0.50 0.00 0.00 46.19 44.00 1kee s LEU 839 CO 0.10 -0.26 0.32 0.40 -1.32 0.00 0.00 176.35 175.60 1kee h ILE 840 N 5.46 1.08 -1.42 6.68 2.04 -1.28 -3.41 117.51 126.67 1kee h ILE 840 Ca -0.31 -2.20 0.26 0.00 1.00 0.00 0.00 64.86 63.62 1kee h ILE 840 Cb 1.15 2.44 -0.19 0.00 -0.74 0.00 0.00 36.82 39.48 1kee h ILE 840 CO 0.66 0.37 0.83 -1.83 0.00 0.00 0.00 178.15 178.19 1kee s GLU 841 N -2.33 0.27 -0.09 2.37 -1.05 -1.14 -5.02 118.70 111.70 1kee s GLU 841 Ca -0.27 -0.10 0.03 0.00 -0.15 0.00 0.00 54.97 54.48 1kee s GLU 841 Cb 0.04 0.12 0.01 0.00 -0.44 0.00 0.00 34.13 33.86 1kee s GLU 841 CO 0.61 -0.12 -0.17 0.08 0.95 0.00 0.00 175.26 176.61 1kee s VAL 842 N -2.37 1.57 -0.39 1.83 1.01 -1.26 -1.32 120.40 119.47 1kee s VAL 842 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1kee s VAL 842 Cb -0.01 -1.41 0.11 0.00 0.00 0.00 0.00 36.38 35.07 1kee s VAL 842 CO -0.04 0.45 0.16 0.20 0.00 0.00 0.00 175.10 175.87 1kee s ASN 843 N 0.70 5.04 0.00 3.32 0.01 0.70 -4.54 114.94 120.17 1kee s ASN 843 Ca -0.13 -2.14 -0.05 0.00 -0.71 0.00 0.00 52.86 49.83 1kee s ASN 843 Cb -0.16 -1.75 -0.23 0.00 0.41 0.00 0.00 41.25 39.52 1kee s ASN 843 CO 0.03 -0.46 3.34 -0.81 -1.51 0.00 0.00 177.10 177.69 1kee n PRO 844 N 4.37 1.82 -2.13 -0.60 -0.04 -1.26 0.12 135.00 137.28 1kee n PRO 844 Ca 0.01 -0.85 -0.04 0.00 -0.04 0.00 0.00 63.50 62.58 1kee n PRO 844 Cb 0.41 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1kee n PRO 844 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1kee n ARG 845 N 2.38 0.37 -2.42 0.54 1.85 -1.15 -4.82 116.66 113.41 1kee n ARG 845 Ca 0.36 -0.87 -0.42 0.00 -1.00 0.00 0.00 57.85 55.92 1kee n ARG 845 Cb 0.84 1.00 -0.03 0.00 -1.05 0.00 0.00 32.46 33.23 1kee n ARG 845 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kee s ALA 846 N -1.57 3.52 0.23 2.89 0.00 -0.85 -3.30 121.76 122.68 1kee s ALA 846 Ca 0.07 0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1kee s ALA 846 Cb -0.01 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1kee s ALA 846 CO 0.05 -0.81 0.30 0.00 0.00 0.00 0.00 175.76 175.30 1kee s ALA 847 N 2.34 3.84 -1.11 0.00 0.00 -1.26 -4.82 121.76 120.75 1kee s ALA 847 Ca 0.57 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1kee s ALA 847 Cb -0.25 -1.63 0.11 0.00 0.00 0.00 0.00 23.12 21.35 1kee s ALA 847 CO 0.22 0.29 1.03 2.89 0.00 0.00 0.00 175.76 180.20 1kee n ARG 848 N -1.20 0.01 0.13 0.00 1.85 -1.26 -2.04 116.66 114.15 1kee n ARG 848 Ca -0.08 0.41 0.03 0.00 -1.00 0.00 0.00 57.85 57.20 1kee n ARG 848 Cb 0.57 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.49 1kee n ARG 848 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1kee h THR 849 N 0.00 0.77 -0.85 8.89 1.35 -1.97 -3.39 112.91 117.71 1kee h THR 849 Ca 0.00 -2.13 0.18 0.00 -0.55 0.00 0.00 66.41 63.91 1kee h THR 849 Cb 0.04 2.35 -0.16 0.00 -1.73 0.00 0.00 68.15 68.64 1kee h THR 849 CO 0.00 0.44 -0.17 0.58 -0.25 0.00 0.00 175.52 176.12 1kee h VAL 850 N 0.00 0.16 -0.33 6.82 2.07 -1.81 0.22 116.25 123.38 1kee h VAL 850 Ca -0.02 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1kee h VAL 850 Cb 1.39 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1kee h VAL 850 CO 0.06 0.00 0.02 -0.65 0.02 0.00 0.00 177.57 177.02 1kee h PRO 851 N 0.01 0.50 -0.08 1.57 0.11 -1.82 0.61 132.00 132.90 1kee h PRO 851 Ca 0.43 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.41 1kee h PRO 851 Cb 0.68 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1kee h PRO 851 CO -0.86 0.52 -0.06 0.35 -0.21 0.00 0.00 178.00 177.74 1kee h PHE 852 N 0.49 0.21 -0.11 0.65 3.04 -1.29 -2.09 116.94 117.84 1kee h PHE 852 Ca 0.11 -0.06 0.02 0.00 3.98 0.00 0.00 57.97 62.02 1kee h PHE 852 Cb 0.28 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 1kee h PHE 852 CO 0.01 0.58 -0.01 0.28 -2.02 0.00 0.00 178.31 177.15 1kee h VAL 853 N -0.22 0.91 -1.00 1.41 2.07 -0.98 0.93 116.25 119.37 1kee h VAL 853 Ca 0.02 -0.01 0.22 0.00 0.82 0.00 0.00 66.70 67.75 1kee h VAL 853 Cb 0.53 0.88 -0.10 0.00 -1.52 0.00 0.00 31.29 31.09 1kee h VAL 853 CO 0.01 0.01 0.62 0.28 0.02 0.00 0.00 177.57 178.51 1kee h SER 854 N 0.03 0.64 0.61 0.57 0.02 -0.85 0.19 113.55 114.76 1kee h SER 854 Ca 0.05 0.09 -0.24 0.00 -0.84 0.00 0.00 61.79 60.86 1kee h SER 854 Cb 0.07 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1kee h SER 854 CO -0.09 0.19 -1.07 0.50 -1.14 0.00 0.00 176.83 175.22 1kee h LYS 855 N 0.60 0.25 -0.03 3.45 1.63 -0.64 0.23 116.57 122.06 1kee h LYS 855 Ca 0.58 -0.34 -0.09 0.00 -0.85 0.00 0.00 60.65 59.95 1kee h LYS 855 Cb 1.13 0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.89 1kee h LYS 855 CO -0.36 1.11 -0.34 0.00 -3.45 0.00 0.00 179.45 176.41 1kee h ALA 856 N 0.76 0.08 0.00 5.00 0.00 0.11 -3.36 119.26 121.85 1kee h ALA 856 Ca -0.09 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.16 1kee h ALA 856 Cb 1.76 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1kee h ALA 856 CO 0.17 0.17 -0.92 1.79 0.00 0.00 0.00 179.25 180.46 1kee h THR 857 N -0.29 1.64 0.00 0.00 1.35 -0.82 -3.47 112.91 111.33 1kee h THR 857 Ca -0.04 -3.16 0.00 0.00 -0.55 0.00 0.00 66.41 62.67 1kee h THR 857 Cb 1.04 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 1kee h THR 857 CO 0.07 0.90 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 1kee n GLY 858 N 1.15 1.04 3.53 5.82 0.00 0.06 -4.99 105.19 111.80 1kee n GLY 858 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1kee n GLY 858 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 859 N -2.82 5.24 -0.83 1.61 1.01 -1.19 -4.98 120.40 118.45 1kee s VAL 859 Ca 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 1kee s VAL 859 Cb 0.00 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 1kee s VAL 859 CO 0.00 -0.05 1.98 -0.81 0.00 0.00 0.00 175.10 176.22 1kee n PRO 860 N 5.23 1.70 -0.28 2.72 -0.04 -1.26 -4.17 135.00 138.89 1kee n PRO 860 Ca -0.11 -1.74 0.28 0.00 -0.04 0.00 0.00 63.50 61.89 1kee n PRO 860 Cb 0.50 -2.78 0.51 0.00 -0.04 0.00 0.00 33.50 31.68 1kee n PRO 860 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1kee n LEU 861 N 6.45 0.30 0.00 1.53 4.77 -1.26 -0.68 117.00 128.11 1kee n LEU 861 Ca 0.48 1.43 -0.10 0.00 -0.03 0.00 0.00 56.01 57.79 1kee n LEU 861 Cb 0.32 -0.70 0.05 0.00 -2.33 0.00 0.00 43.42 40.76 1kee n LEU 861 CO 0.93 -1.60 0.47 0.00 -1.33 0.00 0.00 177.39 175.87 1kee h ALA 862 N 1.72 0.68 -0.21 -1.18 0.00 -1.92 -1.68 119.26 116.67 1kee h ALA 862 Ca 0.73 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1kee h ALA 862 Cb 1.95 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1kee h ALA 862 CO -0.66 0.69 -0.23 0.87 0.00 0.00 0.00 179.25 179.92 1kee h LYS 863 N 0.43 0.53 0.22 0.00 1.57 -1.16 -1.45 116.57 116.72 1kee h LYS 863 Ca 0.01 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1kee h LYS 863 Cb 1.10 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1kee h LYS 863 CO 0.11 0.88 -0.25 0.28 -0.57 0.00 0.00 179.45 179.89 1kee h VAL 864 N 0.21 0.46 -0.15 0.50 2.07 -1.46 0.20 116.25 118.07 1kee h VAL 864 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1kee h VAL 864 Cb 0.79 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1kee h VAL 864 CO 0.06 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.67 1kee h ALA 865 N 0.16 1.76 0.32 1.67 0.00 -1.36 0.16 119.26 121.97 1kee h ALA 865 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1kee h ALA 865 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1kee h ALA 865 CO -0.08 0.19 -0.16 0.00 0.00 0.00 0.00 179.25 179.21 1kee h ALA 866 N 1.82 -0.44 -0.93 0.00 0.00 -0.28 0.47 119.26 119.90 1kee h ALA 866 Ca 0.05 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1kee h ALA 866 Cb 0.11 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1kee h ALA 866 CO -0.00 -0.64 0.60 0.00 0.00 0.00 0.00 179.25 179.20 1kee h ARG 867 N -0.64 0.82 -0.50 0.00 3.08 0.20 -0.40 114.38 116.95 1kee h ARG 867 Ca -0.04 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1kee h ARG 867 Cb 0.45 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1kee h ARG 867 CO 0.07 0.54 0.23 0.28 -1.07 0.00 0.00 179.97 180.03 1kee h VAL 868 N 0.85 1.20 -0.15 2.04 2.07 -0.42 -0.18 116.25 121.65 1kee h VAL 868 Ca 0.46 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1kee h VAL 868 Cb 0.57 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1kee h VAL 868 CO -0.22 0.23 -0.13 0.24 0.02 0.00 0.00 177.57 177.70 1kee h MET 869 N 0.67 0.24 -0.20 1.57 2.86 0.60 -2.29 114.93 118.38 1kee h MET 869 Ca 0.17 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1kee h MET 869 Cb 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1kee h MET 869 CO -0.02 0.37 0.00 0.00 1.06 0.00 0.00 176.91 178.33 1kee n ALA 870 N -2.49 2.49 -0.17 6.32 0.00 -0.31 -3.92 120.51 122.43 1kee n ALA 870 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1kee n ALA 870 Cb 0.27 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1kee n ALA 870 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 871 N 0.91 0.90 3.13 0.00 0.00 -0.86 -5.05 105.19 104.22 1kee n GLY 871 Ca 0.10 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1kee n GLY 871 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kee s LYS 872 N -0.57 3.17 0.36 1.61 2.20 -0.12 -4.99 119.74 121.40 1kee s LYS 872 Ca 0.00 -3.05 -0.08 0.00 -0.36 0.00 0.00 55.97 52.48 1kee s LYS 872 Cb 0.00 -3.96 -0.07 0.00 -1.51 0.00 0.00 37.83 32.29 1kee s LYS 872 CO 0.00 -1.24 -0.23 -1.13 -0.36 0.00 0.00 175.35 172.39 1kee n SER 873 N 2.73 -2.33 -0.13 1.43 3.41 -1.26 -3.95 113.62 113.51 1kee n SER 873 Ca 0.18 0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.89 1kee n SER 873 Cb 0.38 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1kee n SER 873 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1kee h LEU 874 N -0.25 0.52 0.04 1.04 3.38 -1.95 0.59 115.31 118.69 1kee h LEU 874 Ca -0.20 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1kee h LEU 874 Cb 0.65 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1kee h LEU 874 CO 0.15 0.51 -0.21 0.00 0.09 0.00 0.00 178.44 178.98 1kee h ALA 875 N 1.03 -0.31 -0.49 1.53 0.00 -1.90 0.13 119.26 119.26 1kee h ALA 875 Ca 0.14 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1kee h ALA 875 Cb 0.13 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1kee h ALA 875 CO -0.02 -0.72 0.34 0.93 0.00 0.00 0.00 179.25 179.78 1kee h GLU 876 N -0.36 0.14 0.00 0.00 5.08 -1.78 0.35 114.58 118.01 1kee h GLU 876 Ca 0.05 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1kee h GLU 876 Cb 0.42 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1kee h GLU 876 CO -0.17 0.09 -0.39 1.96 -1.00 0.00 0.00 179.01 179.51 1kee h GLN 877 N 0.14 0.00 0.00 2.33 4.20 0.88 -3.47 115.11 119.19 1kee h GLN 877 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1kee h GLN 877 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1kee h GLN 877 CO -0.03 0.14 0.00 0.41 -0.67 0.00 0.00 178.83 178.68 1kee n GLY 878 N 1.16 0.84 2.79 3.46 0.00 0.27 -5.02 105.19 108.69 1kee n GLY 878 Ca 0.02 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1kee n GLY 878 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 879 N -2.00 1.09 0.00 1.61 1.01 -0.79 -4.90 120.40 116.42 1kee s VAL 879 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1kee s VAL 879 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1kee s VAL 879 CO 0.00 -0.59 0.00 0.35 0.00 0.00 0.00 175.10 174.86 1kee n THR 880 N 4.77 0.00 -3.45 3.92 -2.24 -1.26 -4.26 114.28 111.75 1kee n THR 880 Ca -0.02 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.38 1kee n THR 880 Cb 0.43 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 1kee n THR 880 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1kee s LYS 881 N -0.77 3.99 0.04 -0.78 -0.14 -1.26 -4.82 119.74 116.01 1kee s LYS 881 Ca 0.00 0.46 -0.30 0.00 -1.36 0.00 0.00 55.97 54.77 1kee s LYS 881 Cb 0.00 -3.24 -0.05 0.00 -1.68 0.00 0.00 37.83 32.87 1kee s LYS 881 CO 0.00 0.65 1.09 -2.00 -0.76 0.00 0.00 175.35 174.33 1kee s GLU 882 N -0.97 4.51 -0.08 1.68 2.12 -1.26 -4.92 118.70 119.77 1kee s GLU 882 Ca 0.25 1.60 -0.18 0.00 0.36 0.00 0.00 54.97 57.00 1kee s GLU 882 Cb -0.17 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 1kee s GLU 882 CO 0.14 -0.13 0.50 0.08 -0.54 0.00 0.00 175.26 175.31 1kee s VAL 883 N 0.92 5.12 -0.24 3.70 1.01 -1.26 -5.06 120.40 124.58 1kee s VAL 883 Ca 0.55 1.01 0.01 0.00 0.00 0.00 0.00 61.98 63.54 1kee s VAL 883 Cb -0.26 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.36 1kee s VAL 883 CO 0.29 0.37 -0.05 -0.63 0.00 0.00 0.00 175.10 175.08 1kee s ILE 884 N 0.29 1.58 0.51 2.22 -1.09 -1.26 -4.94 121.20 118.51 1kee s ILE 884 Ca 0.27 -1.31 -0.21 0.00 -2.23 0.00 0.00 60.65 57.17 1kee s ILE 884 Cb -0.16 -1.86 -0.06 0.00 -1.58 0.00 0.00 42.46 38.80 1kee s ILE 884 CO 0.12 -0.14 1.21 -2.84 -1.23 0.00 0.00 174.94 172.06 1kee s PRO 885 N 1.36 3.43 0.07 2.79 0.02 -1.26 -4.92 135.00 136.50 1kee s PRO 885 Ca -0.05 1.86 0.22 0.00 0.02 0.00 0.00 61.00 63.05 1kee s PRO 885 Cb -0.19 -2.23 0.91 0.00 0.02 0.00 0.00 34.50 33.01 1kee s PRO 885 CO -0.07 -0.85 1.70 -2.30 -0.33 0.00 0.00 177.00 175.15 1kee n PRO 886 N -0.92 0.07 -4.55 5.54 -0.01 -1.26 -4.82 135.00 129.05 1kee n PRO 886 Ca 0.10 0.19 -0.25 0.00 -0.01 0.00 0.00 63.50 63.53 1kee n PRO 886 Cb 0.48 -1.61 -0.10 0.00 -0.01 0.00 0.00 33.50 32.26 1kee n PRO 886 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 175.50 177.01 1kee s TYR 887 N -3.07 2.09 -0.12 6.00 1.13 -1.26 -4.97 117.35 117.15 1kee s TYR 887 Ca 0.09 -0.92 -0.13 0.00 -1.41 0.00 0.00 57.07 54.70 1kee s TYR 887 Cb 0.13 -1.45 -0.05 0.00 -1.10 0.00 0.00 41.96 39.49 1kee s TYR 887 CO 0.42 0.12 0.30 0.71 -2.51 0.00 0.00 175.55 174.58 1kee s TYR 888 N -3.07 3.53 -0.20 -3.49 2.02 0.20 -4.45 117.35 111.90 1kee s TYR 888 Ca 0.31 0.66 0.01 0.00 -0.37 0.00 0.00 57.07 57.68 1kee s TYR 888 Cb 0.07 -2.28 0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1kee s TYR 888 CO 0.15 0.38 -0.10 -1.12 -1.57 0.00 0.00 175.55 173.29 1kee s SER 889 N -0.02 3.47 -0.16 2.29 0.01 0.29 -0.16 113.70 119.41 1kee s SER 889 Ca 0.18 -0.93 -0.01 0.00 1.31 0.00 0.00 55.95 56.50 1kee s SER 889 Cb -0.14 -1.24 -0.01 0.00 0.21 0.00 0.00 66.02 64.84 1kee s SER 889 CO 0.06 -0.15 -0.13 -0.69 0.41 0.00 0.00 173.24 172.74 1kee s VAL 890 N 1.38 2.88 -0.11 3.43 1.01 -0.32 -0.13 120.40 128.53 1kee s VAL 890 Ca -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1kee s VAL 890 Cb -0.17 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1kee s VAL 890 CO -0.08 0.50 0.01 -0.75 0.00 0.00 0.00 175.10 174.78 1kee s LYS 891 N 0.78 3.28 0.08 2.72 2.20 -0.32 -0.33 119.74 128.15 1kee s LYS 891 Ca -0.05 -0.41 0.07 0.00 -0.36 0.00 0.00 55.97 55.22 1kee s LYS 891 Cb -0.15 -2.89 -0.03 0.00 -1.51 0.00 0.00 37.83 33.24 1kee s LYS 891 CO 0.01 0.56 -0.18 -2.00 -0.36 0.00 0.00 175.35 173.37 1kee s GLU 892 N -0.48 1.03 0.37 4.03 2.56 -0.64 -0.51 118.70 125.07 1kee s GLU 892 Ca 0.09 -1.05 0.07 0.00 0.00 0.00 0.00 54.97 54.08 1kee s GLU 892 Cb -0.12 -1.19 -0.01 0.00 2.00 0.00 0.00 34.13 34.81 1kee s GLU 892 CO 0.02 0.28 0.46 0.14 -0.56 0.00 0.00 175.26 175.59 1kee s VAL 893 N -1.15 3.41 -0.16 3.70 -7.23 -1.26 -0.39 120.40 117.32 1kee s VAL 893 Ca 0.03 -1.12 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 1kee s VAL 893 Cb -0.10 -3.17 0.02 0.00 0.56 0.00 0.00 36.38 33.68 1kee s VAL 893 CO 0.03 -0.09 -0.20 0.68 -0.31 0.00 0.00 175.10 175.22 1kee s VAL 894 N -2.30 2.02 -0.10 1.32 -7.23 0.29 -4.90 120.40 109.49 1kee s VAL 894 Ca 0.48 -0.93 -0.04 0.00 -1.81 0.00 0.00 61.98 59.69 1kee s VAL 894 Cb -0.08 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1kee s VAL 894 CO 0.30 0.54 0.05 -0.76 -0.31 0.00 0.00 175.10 174.92 1kee s LEU 895 N 1.15 3.87 0.00 1.32 1.43 -1.26 -0.64 118.68 124.56 1kee s LEU 895 Ca 0.01 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1kee s LEU 895 Cb -0.14 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1kee s LEU 895 CO -0.09 0.38 0.91 -0.81 0.23 0.00 0.00 176.35 176.97 1kee n PRO 896 N 2.17 0.99 -0.31 1.29 -0.04 -1.26 -4.37 135.00 133.46 1kee n PRO 896 Ca -0.19 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.41 1kee n PRO 896 Cb 0.54 -1.08 0.32 0.00 -0.04 0.00 0.00 33.50 33.24 1kee n PRO 896 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1kee h PHE 897 N 0.00 0.75 0.00 0.54 0.04 -1.92 0.11 116.94 116.46 1kee h PHE 897 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1kee h PHE 897 Cb 0.08 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1kee h PHE 897 CO 0.00 -0.00 0.00 0.27 -0.60 0.00 0.00 178.31 177.98 1kee n ASN 898 N -4.99 0.28 0.10 2.17 6.94 -1.26 -1.54 115.26 116.96 1kee n ASN 898 Ca 0.23 0.61 0.10 0.00 -0.02 0.00 0.00 54.58 55.50 1kee n ASN 898 Cb 0.66 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1kee n ASN 898 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1kee h LYS 899 N 0.00 0.00 -2.64 -3.83 1.79 -1.13 -3.40 116.57 107.35 1kee h LYS 899 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1kee h LYS 899 Cb 0.08 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.32 1kee h LYS 899 CO 0.00 0.05 -0.71 1.19 -1.08 0.00 0.00 179.45 178.89 1kee n PHE 900 N -2.75 2.09 -0.34 -1.35 3.72 -0.59 -4.99 117.46 113.26 1kee n PHE 900 Ca -0.01 -3.99 0.08 0.00 -0.05 0.00 0.00 57.45 53.48 1kee n PHE 900 Cb 0.59 -0.39 0.27 0.00 -0.94 0.00 0.00 39.48 39.01 1kee n PHE 900 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1kee h PRO 901 N 5.05 0.91 0.00 -1.08 0.14 -1.79 -1.27 132.00 133.96 1kee h PRO 901 Ca 0.18 -0.05 0.00 0.00 0.14 0.00 0.00 66.00 66.26 1kee h PRO 901 Cb 0.78 -0.20 0.00 0.00 0.14 0.00 0.00 31.00 31.71 1kee h PRO 901 CO 0.64 0.60 0.00 0.41 0.14 0.00 0.00 178.00 179.79 1kee n GLY 902 N -1.37 -0.45 3.88 1.56 0.00 -1.26 -4.69 105.19 102.87 1kee n GLY 902 Ca 0.18 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1kee n GLY 902 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 903 N -2.73 5.08 -0.46 1.61 1.01 -0.48 -4.58 120.40 119.85 1kee s VAL 903 Ca 0.02 0.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.01 1kee s VAL 903 Cb 0.02 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.80 1kee s VAL 903 CO 0.04 0.08 0.93 -0.62 0.00 0.00 0.00 175.10 175.53 1kee s ASP 904 N -2.23 6.51 -1.11 3.32 3.68 -1.26 -4.90 116.67 120.67 1kee s ASP 904 Ca 0.41 0.14 -0.08 0.00 2.13 0.00 0.00 52.55 55.15 1kee s ASP 904 Cb -0.12 -2.45 -0.06 0.00 -1.45 0.00 0.00 42.92 38.83 1kee s ASP 904 CO 0.22 -1.06 2.33 -0.81 0.13 0.00 0.00 175.17 175.99 1kee n PRO 905 N 7.19 2.51 -4.79 4.34 -0.04 -1.26 -4.86 135.00 138.09 1kee n PRO 905 Ca 0.06 -1.69 -0.30 0.00 -0.04 0.00 0.00 63.50 61.54 1kee n PRO 905 Cb 0.49 -2.58 -0.14 0.00 -0.04 0.00 0.00 33.50 31.23 1kee n PRO 905 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1kee s LEU 906 N 0.20 2.20 0.57 1.53 2.34 -1.26 -5.01 118.68 119.24 1kee s LEU 906 Ca 0.48 -0.62 -0.15 0.00 0.06 0.00 0.00 54.13 53.90 1kee s LEU 906 Cb 0.12 -1.25 -0.05 0.00 -0.56 0.00 0.00 46.19 44.45 1kee s LEU 906 CO -0.04 0.24 1.03 -0.76 -1.06 0.00 0.00 176.35 175.76 1kee s LEU 907 N -1.40 3.51 0.00 1.48 1.43 -1.26 -5.07 118.68 117.37 1kee s LEU 907 Ca 0.12 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 1kee s LEU 907 Cb -0.10 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.60 1kee s LEU 907 CO 0.03 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.28 1kee n GLY 908 N -1.37 1.46 0.00 -3.19 0.00 -1.26 -4.95 105.19 95.89 1kee n GLY 908 Ca 0.08 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.31 1kee n GLY 908 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kee n PRO 909 N 0.00 0.31 -4.65 1.61 -0.04 -0.36 0.41 135.00 132.28 1kee n PRO 909 Ca 0.00 0.09 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 1kee n PRO 909 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1kee n PRO 909 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1kee s GLU 910 N -2.52 2.94 0.03 0.54 2.12 -1.26 -4.51 118.70 116.05 1kee s GLU 910 Ca 0.20 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 1kee s GLU 910 Cb 0.13 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 1kee s GLU 910 CO 0.29 0.53 1.05 1.41 -0.54 0.00 0.00 175.26 178.01 1kee s MET 911 N -0.46 4.53 0.00 4.30 -2.45 -1.26 -4.73 119.30 119.23 1kee s MET 911 Ca 0.06 1.55 0.00 0.00 -1.25 0.00 0.00 55.69 56.05 1kee s MET 911 Cb -0.12 -3.41 0.00 0.00 1.25 0.00 0.00 34.83 32.55 1kee s MET 911 CO 0.02 -0.09 0.07 0.54 1.05 0.00 0.00 175.02 176.61 1kee n ARG 912 N 3.77 2.50 -1.60 4.11 3.00 -1.26 -4.87 116.66 122.31 1kee n ARG 912 Ca 0.07 -0.07 -0.32 0.00 -0.01 0.00 0.00 57.85 57.51 1kee n ARG 912 Cb 0.49 -0.40 0.06 0.00 0.00 0.00 0.00 32.46 32.61 1kee n ARG 912 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1kee s SER 913 N -0.38 5.06 -0.12 0.55 1.04 -1.26 -4.27 113.70 114.32 1kee s SER 913 Ca 0.00 1.83 0.09 0.00 0.48 0.00 0.00 55.95 58.35 1kee s SER 913 Cb 0.00 -2.53 -0.14 0.00 0.10 0.00 0.00 66.02 63.46 1kee s SER 913 CO 0.00 -1.66 0.01 0.35 0.98 0.00 0.00 173.24 172.92 1kee n THR 914 N -2.87 0.82 -4.27 2.02 -2.24 0.19 -4.54 114.28 103.39 1kee n THR 914 Ca 0.09 -0.47 -0.19 0.00 -2.27 0.00 0.00 64.05 61.21 1kee n THR 914 Cb 0.53 -0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 67.92 1kee n THR 914 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1kee s GLY 915 N -4.66 2.27 0.07 3.38 0.00 -0.67 -4.64 107.32 103.06 1kee s GLY 915 Ca -0.09 -2.04 -0.05 0.00 0.00 0.00 0.00 44.72 42.54 1kee s GLY 915 CO 0.46 -1.44 0.09 -1.83 0.00 0.00 0.00 173.10 170.37 1kee s GLU 916 N -3.44 0.73 0.16 2.90 -1.05 -1.26 -0.55 118.70 116.20 1kee s GLU 916 Ca 0.40 -1.07 0.03 0.00 -0.15 0.00 0.00 54.97 54.18 1kee s GLU 916 Cb 0.02 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.95 1kee s GLU 916 CO 0.27 -0.19 -0.03 0.14 0.95 0.00 0.00 175.26 176.40 1kee s VAL 917 N -3.84 0.82 -0.02 1.83 -7.23 0.48 -4.27 120.40 108.17 1kee s VAL 917 Ca 0.05 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1kee s VAL 917 Cb 0.06 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 1kee s VAL 917 CO -0.10 -0.58 -0.14 -0.32 -0.31 0.00 0.00 175.10 173.65 1kee s MET 918 N -3.86 1.23 -0.04 4.82 0.00 -0.28 -1.62 119.30 119.54 1kee s MET 918 Ca 0.21 -0.49 0.07 0.00 0.00 0.00 0.00 55.69 55.48 1kee s MET 918 Cb 0.05 -1.16 -0.02 0.00 0.00 0.00 0.00 34.83 33.71 1kee s MET 918 CO 0.02 0.26 -0.25 0.20 0.00 0.00 0.00 175.02 175.25 1kee s GLY 919 N -0.17 1.29 -0.16 2.11 0.00 0.55 -4.54 107.32 106.40 1kee s GLY 919 Ca 0.02 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.67 1kee s GLY 919 CO 0.00 -0.78 -0.19 0.14 0.00 0.00 0.00 173.10 172.27 1kee s VAL 920 N -0.38 2.32 0.22 1.40 1.01 -1.26 -1.18 120.40 122.54 1kee s VAL 920 Ca 0.03 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1kee s VAL 920 Cb -0.12 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1kee s VAL 920 CO 0.01 0.53 0.30 -0.83 0.00 0.00 0.00 175.10 175.11 1kee s GLY 921 N 0.93 1.01 0.22 4.51 0.00 0.77 -4.54 107.32 110.23 1kee s GLY 921 Ca -0.04 -1.31 0.11 0.00 0.00 0.00 0.00 44.72 43.48 1kee s GLY 921 CO -0.03 -1.03 1.47 3.21 0.00 0.00 0.00 173.10 176.72 1kee h ARG 922 N 2.44 0.00 -6.26 2.90 3.08 -1.93 0.58 114.38 115.19 1kee h ARG 922 Ca -0.31 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.16 1kee h ARG 922 Cb 1.25 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.11 1kee h ARG 922 CO 0.44 0.73 -0.81 0.95 -1.07 0.00 0.00 179.97 180.21 1kee s THR 923 N -3.15 2.00 0.31 2.04 -4.23 -1.26 -4.58 115.64 106.77 1kee s THR 923 Ca 0.01 -1.88 -0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1kee s THR 923 Cb 0.11 -1.90 0.23 0.00 1.34 0.00 0.00 72.50 72.28 1kee s THR 923 CO 0.77 -0.18 1.94 0.15 -0.54 0.00 0.00 174.62 176.76 1kee h PHE 924 N 3.42 0.91 -0.99 3.99 3.04 -1.94 0.77 116.94 126.13 1kee h PHE 924 Ca -0.45 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.51 1kee h PHE 924 Cb 1.20 -0.30 -0.05 0.00 2.56 0.00 0.00 35.95 39.36 1kee h PHE 924 CO 0.67 0.63 0.66 0.00 -2.02 0.00 0.00 178.31 178.24 1kee h ALA 925 N 1.48 1.32 -0.15 2.41 0.00 -1.95 0.08 119.26 122.44 1kee h ALA 925 Ca 0.24 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1kee h ALA 925 Cb 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.42 1kee h ALA 925 CO -0.04 0.61 -0.55 1.49 0.00 0.00 0.00 179.25 180.76 1kee h GLU 926 N 1.31 0.64 -0.02 0.00 4.81 -1.43 -2.20 114.58 117.68 1kee h GLU 926 Ca 0.38 -0.48 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1kee h GLU 926 Cb -0.09 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1kee h GLU 926 CO -0.10 1.10 0.01 0.00 -0.73 0.00 0.00 179.01 179.30 1kee h ALA 927 N 0.54 0.03 -0.45 2.92 0.00 -0.59 -1.67 119.26 120.04 1kee h ALA 927 Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1kee h ALA 927 Cb 1.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1kee h ALA 927 CO 0.12 -0.44 0.30 0.35 0.00 0.00 0.00 179.25 179.57 1kee h PHE 928 N -0.02 0.52 -0.15 0.00 3.04 -1.02 -0.41 116.94 118.89 1kee h PHE 928 Ca 0.01 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.86 1kee h PHE 928 Cb 0.06 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 1kee h PHE 928 CO -0.06 0.32 -0.40 0.00 -2.02 0.00 0.00 178.31 176.15 1kee h ALA 929 N 1.73 1.03 -0.09 2.41 0.00 -0.87 0.84 119.26 124.31 1kee h ALA 929 Ca 0.17 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1kee h ALA 929 Cb 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1kee h ALA 929 CO -0.04 0.61 -0.56 0.87 0.00 0.00 0.00 179.25 180.13 1kee h LYS 930 N 0.29 0.53 -0.58 0.00 1.57 -0.25 -2.21 116.57 115.91 1kee h LYS 930 Ca 0.03 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1kee h LYS 930 Cb 0.84 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 1kee h LYS 930 CO 0.07 1.08 0.37 0.00 -0.57 0.00 0.00 179.45 180.40 1kee h ALA 931 N 0.45 0.73 -0.35 3.86 0.00 -1.03 0.14 119.26 123.07 1kee h ALA 931 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1kee h ALA 931 Cb 1.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1kee h ALA 931 CO 0.11 0.19 0.22 0.37 0.00 0.00 0.00 179.25 180.14 1kee h GLN 932 N 0.78 0.47 -0.72 0.00 4.15 -0.83 -0.90 115.11 118.07 1kee h GLN 932 Ca 0.21 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 1kee h GLN 932 Cb -0.07 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 1kee h GLN 932 CO -0.04 0.34 0.18 1.25 -1.93 0.00 0.00 178.83 178.62 1kee h LEU 933 N 0.46 1.08 -1.48 -2.39 5.85 -1.11 -2.65 115.31 115.08 1kee h LEU 933 Ca 0.13 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1kee h LEU 933 Cb -0.02 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1kee h LEU 933 CO -0.03 1.03 0.14 1.23 -0.34 0.00 0.00 178.44 180.48 1kee h GLY 934 N 1.09 0.52 0.04 3.75 0.00 -0.21 -1.92 103.07 106.34 1kee h GLY 934 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1kee h GLY 934 CO 0.00 0.23 0.00 -1.14 0.00 0.00 0.00 176.54 175.63 1kee n SER 935 N -4.40 0.00 -0.70 0.19 3.41 -0.39 -4.71 113.62 107.02 1kee n SER 935 Ca 0.02 -1.44 -0.08 0.00 -0.26 0.00 0.00 58.87 57.10 1kee n SER 935 Cb 0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1kee n SER 935 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1kee n ASN 936 N -0.52 -3.74 -4.75 4.04 4.05 -0.72 -4.91 115.26 108.71 1kee n ASN 936 Ca 0.01 0.15 -0.37 0.00 0.45 0.00 0.00 54.58 54.82 1kee n ASN 936 Cb 0.00 -2.22 0.03 0.00 1.23 0.00 0.00 39.78 38.82 1kee n ASN 936 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1kee s SER 937 N -2.85 5.43 -0.21 1.20 0.15 -1.09 -4.95 113.70 111.39 1kee s SER 937 Ca 0.00 2.55 0.15 0.00 0.70 0.00 0.00 55.95 59.35 1kee s SER 937 Cb 0.00 -2.62 0.80 0.00 -1.71 0.00 0.00 66.02 62.50 1kee s SER 937 CO 0.00 -1.44 1.73 0.35 1.20 0.00 0.00 173.24 175.08 1kee n THR 938 N -1.09 2.57 -1.82 6.45 -2.24 -1.26 -4.88 114.28 112.01 1kee n THR 938 Ca 0.11 -1.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.11 1kee n THR 938 Cb 0.47 -0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.51 1kee n THR 938 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1kee s MET 939 N -2.57 4.13 0.27 -0.78 0.00 -1.26 -4.37 119.30 114.72 1kee s MET 939 Ca 0.54 2.55 0.10 0.00 0.00 0.00 0.00 55.69 58.88 1kee s MET 939 Cb 0.40 -2.99 -0.04 0.00 0.00 0.00 0.00 34.83 32.20 1kee s MET 939 CO 0.18 -0.53 -0.03 0.15 0.00 0.00 0.00 175.02 174.79 1kee s LYS 940 N -1.77 2.18 -0.15 4.11 -0.14 -1.26 -5.03 119.74 117.69 1kee s LYS 940 Ca 0.54 -1.50 0.10 0.00 -1.36 0.00 0.00 55.97 53.76 1kee s LYS 940 Cb -0.46 -2.08 0.57 0.00 -1.68 0.00 0.00 37.83 34.18 1kee s LYS 940 CO 0.60 0.34 1.38 1.63 -0.76 0.00 0.00 175.35 178.54 1kee n LYS 941 N -0.86 3.61 -3.76 1.68 5.02 -1.26 -4.93 118.16 117.67 1kee n LYS 941 Ca -0.06 -2.20 -0.03 0.00 -2.02 0.00 0.00 58.31 54.00 1kee n LYS 941 Cb 0.59 -1.98 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 1kee n LYS 941 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1kee s HIS 942 N -2.15 -0.13 0.00 2.13 -3.43 -1.26 -4.91 115.29 105.54 1kee s HIS 942 Ca 0.38 -0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.46 1kee s HIS 942 Cb 0.28 0.64 0.00 0.00 -1.43 0.00 0.00 32.58 32.07 1kee s HIS 942 CO 0.13 -0.83 0.00 0.41 -2.00 0.00 0.00 174.74 172.44 1kee n GLY 943 N -0.47 0.19 3.23 -1.38 0.00 -1.26 -4.72 105.19 100.78 1kee n GLY 943 Ca -0.06 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 1kee n GLY 943 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kee s ARG 944 N 0.00 2.10 0.11 1.61 3.52 -1.26 -1.18 118.95 123.86 1kee s ARG 944 Ca 0.00 -0.81 0.05 0.00 -0.13 0.00 0.00 55.73 54.85 1kee s ARG 944 Cb 0.00 -1.88 -0.04 0.00 -1.56 0.00 0.00 34.95 31.47 1kee s ARG 944 CO 0.00 0.40 0.02 0.00 -0.81 0.00 0.00 175.30 174.90 1kee s ALA 945 N -0.27 3.31 -0.11 6.12 0.00 -0.19 -1.11 121.76 129.52 1kee s ALA 945 Ca 0.01 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1kee s ALA 945 Cb -0.11 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 1kee s ALA 945 CO 0.01 0.64 -0.18 -1.17 0.00 0.00 0.00 175.76 175.06 1kee s LEU 946 N -2.52 2.43 -0.17 0.00 2.96 -0.15 -2.03 118.68 119.20 1kee s LEU 946 Ca 0.27 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1kee s LEU 946 Cb -0.11 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.08 1kee s LEU 946 CO 0.19 0.18 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.46 1kee s LEU 947 N 0.27 2.27 -0.36 -0.68 1.02 -0.76 0.14 118.68 120.57 1kee s LEU 947 Ca -0.13 -0.58 0.03 0.00 0.02 0.00 0.00 54.13 53.47 1kee s LEU 947 Cb -0.16 -1.52 0.16 0.00 0.02 0.00 0.00 46.19 44.69 1kee s LEU 947 CO 0.07 0.02 0.41 -0.55 0.02 0.00 0.00 176.35 176.32 1kee s SER 948 N 1.16 0.75 0.22 2.29 0.15 0.24 -3.16 113.70 115.36 1kee s SER 948 Ca 0.01 -1.28 0.09 0.00 0.70 0.00 0.00 55.95 55.48 1kee s SER 948 Cb -0.14 0.81 -0.04 0.00 -1.71 0.00 0.00 66.02 64.94 1kee s SER 948 CO -0.08 -0.27 -0.06 0.68 1.20 0.00 0.00 173.24 174.72 1kee s VAL 949 N 1.68 3.28 0.89 4.45 -7.23 -1.26 -1.31 120.40 120.89 1kee s VAL 949 Ca 0.15 -1.81 -0.12 0.00 -1.81 0.00 0.00 61.98 58.40 1kee s VAL 949 Cb -0.13 -2.69 0.12 0.00 0.56 0.00 0.00 36.38 34.24 1kee s VAL 949 CO -0.09 -0.24 1.11 0.00 -0.31 0.00 0.00 175.10 175.56 1kee s ARG 950 N -3.25 1.35 0.03 4.82 1.04 -0.63 -4.71 118.95 117.60 1kee s ARG 950 Ca 0.28 0.54 -0.06 0.00 -1.04 0.00 0.00 55.73 55.45 1kee s ARG 950 Cb -0.08 -1.84 -0.02 0.00 -2.04 0.00 0.00 34.95 30.97 1kee s ARG 950 CO 0.17 -2.11 1.11 1.49 -0.04 0.00 0.00 175.30 175.92 1kee h GLU 951 N -1.44 -0.05 0.00 3.89 4.57 -1.96 0.11 114.58 119.70 1kee h GLU 951 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1kee h GLU 951 Cb 1.30 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1kee h GLU 951 CO 0.59 -0.03 0.20 0.78 -1.18 0.00 0.00 179.01 179.36 1kee h GLY 952 N -0.05 0.00 0.03 1.92 0.00 -2.01 0.32 103.07 103.27 1kee h GLY 952 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 1kee h GLY 952 CO -0.13 0.00 -2.12 1.22 0.00 0.00 0.00 176.54 175.51 1kee n ASP 953 N -2.18 0.03 -0.05 0.19 10.43 -0.49 -4.45 116.55 120.02 1kee n ASP 953 Ca -0.01 0.01 0.25 0.00 2.57 0.00 0.00 54.79 57.61 1kee n ASP 953 Cb 0.22 1.58 0.69 0.00 1.84 0.00 0.00 41.12 45.45 1kee n ASP 953 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1kee h LYS 954 N 0.00 0.00 -0.03 -1.24 1.57 0.98 -1.88 116.57 115.98 1kee h LYS 954 Ca -0.20 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1kee h LYS 954 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.78 1kee h LYS 954 CO 0.01 0.00 -0.12 1.49 -0.57 0.00 0.00 179.45 180.26 1kee h GLU 955 N 0.00 0.13 -0.01 3.15 4.81 -1.78 -3.35 114.58 117.53 1kee h GLU 955 Ca 0.32 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 59.28 1kee h GLU 955 Cb 1.64 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.02 1kee h GLU 955 CO -0.00 0.76 -0.75 0.00 -0.73 0.00 0.00 179.01 178.28 1kee h ARG 956 N -0.46 0.10 -1.19 1.92 3.08 -1.66 -3.28 114.38 112.89 1kee h ARG 956 Ca -0.01 -0.10 0.34 0.00 0.07 0.00 0.00 59.98 60.29 1kee h ARG 956 Cb 0.78 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 1kee h ARG 956 CO 0.03 0.81 0.84 -0.24 -1.07 0.00 0.00 179.97 180.34 1kee h VAL 957 N 0.07 0.40 -0.27 2.04 3.04 -1.52 -1.57 116.25 118.44 1kee h VAL 957 Ca -0.02 -0.02 0.06 0.00 -1.01 0.00 0.00 66.70 65.71 1kee h VAL 957 Cb 1.33 0.34 -0.06 0.00 -2.01 0.00 0.00 31.29 30.89 1kee h VAL 957 CO 0.11 0.01 -0.11 0.58 -1.01 0.00 0.00 177.57 177.15 1kee h VAL 958 N 0.06 0.63 0.00 1.51 2.07 -1.75 0.19 116.25 118.95 1kee h VAL 958 Ca 0.58 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.07 1kee h VAL 958 Cb 2.21 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1kee h VAL 958 CO -0.06 0.00 -0.16 -0.78 0.02 0.00 0.00 177.57 176.59 1kee h ASP 959 N -0.07 0.00 0.51 0.57 3.58 -1.54 -1.68 116.42 117.79 1kee h ASP 959 Ca 0.14 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.34 1kee h ASP 959 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1kee h ASP 959 CO -0.31 0.16 -1.10 0.25 -2.88 0.00 0.00 179.24 175.35 1kee h LEU 960 N 0.00 0.46 -0.90 2.28 5.85 -0.94 -2.24 115.31 119.81 1kee h LEU 960 Ca -0.00 -0.43 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 1kee h LEU 960 Cb 0.69 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1kee h LEU 960 CO 0.02 1.28 -0.01 0.00 -0.34 0.00 0.00 178.44 179.40 1kee h ALA 961 N 0.67 1.09 -0.70 1.25 0.00 -0.52 -0.71 119.26 120.34 1kee h ALA 961 Ca -0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1kee h ALA 961 Cb 1.79 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1kee h ALA 961 CO 0.18 0.58 0.33 0.00 0.00 0.00 0.00 179.25 180.34 1kee h ALA 962 N 1.25 1.27 -0.37 0.00 0.00 -1.23 0.12 119.26 120.28 1kee h ALA 962 Ca 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1kee h ALA 962 Cb 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1kee h ALA 962 CO 0.02 0.56 0.07 0.87 0.00 0.00 0.00 179.25 180.78 1kee h LYS 963 N 0.99 0.61 -0.60 0.00 1.57 -0.58 0.81 116.57 119.36 1kee h LYS 963 Ca 0.24 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1kee h LYS 963 Cb 0.11 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1kee h LYS 963 CO -0.03 0.66 0.26 -0.07 -0.57 0.00 0.00 179.45 179.70 1kee h LEU 964 N 0.46 0.78 -0.29 2.94 3.38 -0.61 -1.66 115.31 120.31 1kee h LEU 964 Ca 0.12 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1kee h LEU 964 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1kee h LEU 964 CO 0.00 0.68 0.05 -0.07 0.09 0.00 0.00 178.44 179.19 1kee h LEU 965 N 0.85 0.47 -1.54 1.67 3.38 -0.47 -1.29 115.31 118.38 1kee h LEU 965 Ca 0.21 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1kee h LEU 965 Cb 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1kee h LEU 965 CO -0.02 0.61 0.42 0.50 0.09 0.00 0.00 178.44 180.04 1kee h LYS 966 N 0.31 0.53 0.00 1.13 3.64 -0.15 0.11 116.57 122.14 1kee h LYS 966 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1kee h LYS 966 Cb 0.35 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1kee h LYS 966 CO 0.01 0.35 0.00 0.37 -2.27 0.00 0.00 179.45 177.91 1kee h GLN 967 N 0.54 0.00 0.00 1.90 -0.00 -0.69 -3.46 115.11 113.40 1kee h GLN 967 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.93 1kee h GLN 967 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.87 1kee h GLN 967 CO -0.09 0.00 0.00 0.41 0.00 0.00 0.00 178.83 179.15 1kee n GLY 968 N 0.17 1.08 3.90 2.39 0.00 0.03 -4.89 105.19 107.87 1kee n GLY 968 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1kee n GLY 968 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kee s PHE 969 N -2.00 3.41 -0.02 1.61 0.08 -0.55 -4.47 117.98 116.04 1kee s PHE 969 Ca 0.00 0.91 0.02 0.00 0.12 0.00 0.00 56.93 57.98 1kee s PHE 969 Cb 0.00 -2.72 -0.03 0.00 -0.57 0.00 0.00 43.02 39.70 1kee s PHE 969 CO 0.00 -0.77 -0.04 -1.21 -0.10 0.00 0.00 175.22 173.10 1kee s GLU 970 N -5.07 2.69 0.13 0.44 2.02 -0.32 -4.55 118.70 114.05 1kee s GLU 970 Ca 0.54 -0.63 0.08 0.00 0.02 0.00 0.00 54.97 54.97 1kee s GLU 970 Cb -0.11 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 1kee s GLU 970 CO 0.48 0.63 -0.09 -0.51 0.02 0.00 0.00 175.26 175.80 1kee s LEU 971 N -1.28 3.06 0.06 1.80 1.43 -1.26 -1.02 118.68 121.46 1kee s LEU 971 Ca 0.16 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 1kee s LEU 971 Cb -0.11 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1kee s LEU 971 CO 0.07 0.15 -0.14 -1.81 0.23 0.00 0.00 176.35 174.84 1kee s ASP 972 N -2.44 1.67 -0.09 2.29 1.11 -0.86 -0.17 116.67 118.18 1kee s ASP 972 Ca 0.23 -0.57 -0.16 0.00 0.18 0.00 0.00 52.55 52.23 1kee s ASP 972 Cb -0.10 -0.06 0.04 0.00 1.07 0.00 0.00 42.92 43.86 1kee s ASP 972 CO 0.15 -0.05 0.40 0.00 1.18 0.00 0.00 175.17 176.85 1kee s ALA 973 N -1.15 -1.00 0.71 5.23 0.00 0.13 -1.83 121.76 123.84 1kee s ALA 973 Ca -0.01 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 1kee s ALA 973 Cb -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1kee s ALA 973 CO 0.02 -0.24 1.07 0.95 0.00 0.00 0.00 175.76 177.56 1kee s THR 974 N -0.48 3.84 0.00 0.00 -4.23 -1.19 -1.75 115.64 111.84 1kee s THR 974 Ca -0.06 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1kee s THR 974 Cb -0.04 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1kee s THR 974 CO 0.03 -0.78 0.20 1.57 -0.54 0.00 0.00 174.62 175.09 1kee n HIS 975 N -3.16 0.00 -0.28 3.99 -0.00 -1.26 -0.21 115.22 114.30 1kee n HIS 975 Ca 0.07 0.00 0.24 0.00 0.46 0.00 0.00 57.72 58.49 1kee n HIS 975 Cb 0.54 0.00 0.56 0.00 -0.12 0.00 0.00 29.99 30.98 1kee n HIS 975 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1kee h GLY 976 N 0.00 0.83 2.00 1.57 0.00 -1.97 0.46 103.07 105.96 1kee h GLY 976 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 1kee h GLY 976 CO 0.00 -0.07 -0.77 -0.84 0.00 0.00 0.00 176.54 174.86 1kee h THR 977 N 0.31 1.55 -0.41 4.70 2.02 -1.73 -2.98 112.91 116.36 1kee h THR 977 Ca 0.54 -2.64 -0.14 0.00 0.77 0.00 0.00 66.41 64.93 1kee h THR 977 Cb 1.53 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 70.35 1kee h THR 977 CO -0.19 0.75 -0.30 0.00 0.37 0.00 0.00 175.52 176.15 1kee h ALA 978 N 1.23 0.68 -0.10 6.16 0.00 0.32 -2.34 119.26 125.20 1kee h ALA 978 Ca -0.01 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1kee h ALA 978 Cb 1.36 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1kee h ALA 978 CO 0.10 0.67 -0.53 0.82 0.00 0.00 0.00 179.25 180.31 1kee h ILE 979 N 0.77 0.02 -0.83 0.00 1.08 -1.18 0.16 117.51 117.54 1kee h ILE 979 Ca 0.08 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.62 1kee h ILE 979 Cb 0.88 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.58 1kee h ILE 979 CO 0.08 0.00 0.50 0.58 -0.69 0.00 0.00 178.15 178.62 1kee h VAL 980 N -0.60 1.01 -0.50 1.67 2.07 -1.52 0.15 116.25 118.53 1kee h VAL 980 Ca 0.03 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 1kee h VAL 980 Cb 0.69 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1kee h VAL 980 CO -0.41 0.16 -0.20 -0.07 0.02 0.00 0.00 177.57 177.07 1kee h LEU 981 N 0.90 1.04 -0.14 2.57 3.38 -0.82 -2.97 115.31 119.26 1kee h LEU 981 Ca 0.37 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1kee h LEU 981 Cb 0.21 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1kee h LEU 981 CO -0.19 1.19 0.08 1.23 0.09 0.00 0.00 178.44 180.85 1kee h GLY 982 N 0.88 0.19 1.45 0.83 0.00 0.55 0.34 103.07 107.31 1kee h GLY 982 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1kee h GLY 982 CO 0.07 0.06 0.24 0.83 0.00 0.00 0.00 176.54 177.74 1kee h GLU 983 N 0.17 0.00 -0.37 4.80 5.08 -0.61 0.43 114.58 124.09 1kee h GLU 983 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1kee h GLU 983 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1kee h GLU 983 CO -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.99 1kee n ALA 984 N -1.78 2.41 0.00 3.43 0.00 -0.07 -4.91 120.51 119.59 1kee n ALA 984 Ca -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1kee n ALA 984 Cb 0.28 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1kee n ALA 984 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 985 N 1.40 0.95 3.15 0.00 0.00 0.15 -5.06 105.19 105.78 1kee n GLY 985 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1kee n GLY 985 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kee s ILE 986 N -2.00 2.10 -0.42 -0.61 1.01 -0.16 -4.99 121.20 116.13 1kee s ILE 986 Ca 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 1kee s ILE 986 Cb 0.00 -1.86 0.10 0.00 0.01 0.00 0.00 42.46 40.71 1kee s ILE 986 CO 0.00 0.54 0.23 0.20 0.00 0.00 0.00 174.94 175.91 1kee s ASN 987 N 1.08 5.39 0.94 3.58 0.02 -1.26 -1.38 114.94 123.31 1kee s ASN 987 Ca -0.00 -1.86 -0.10 0.00 -1.02 0.00 0.00 52.86 49.88 1kee s ASN 987 Cb -0.14 -1.89 0.15 0.00 0.02 0.00 0.00 41.25 39.39 1kee s ASN 987 CO -0.08 -0.56 0.89 -0.81 0.02 0.00 0.00 177.10 176.56 1kee n PRO 988 N 4.72 -0.75 -3.60 -0.60 -0.04 -1.26 -4.96 135.00 128.52 1kee n PRO 988 Ca -0.06 -1.49 -0.37 0.00 -0.04 0.00 0.00 63.50 61.54 1kee n PRO 988 Cb 0.42 -0.87 -0.08 0.00 -0.04 0.00 0.00 33.50 32.92 1kee n PRO 988 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1kee s ARG 989 N -4.90 4.14 0.15 0.54 3.52 0.76 -4.86 118.95 118.30 1kee s ARG 989 Ca 0.51 -0.11 -0.30 0.00 -0.13 0.00 0.00 55.73 55.69 1kee s ARG 989 Cb -0.02 -3.50 -0.08 0.00 -1.56 0.00 0.00 34.95 29.79 1kee s ARG 989 CO 0.36 0.10 1.30 -1.17 -0.81 0.00 0.00 175.30 175.08 1kee s LEU 990 N 0.92 4.40 0.26 -0.88 2.96 -1.26 0.20 118.68 125.28 1kee s LEU 990 Ca 0.11 2.29 0.12 0.00 -0.22 0.00 0.00 54.13 56.43 1kee s LEU 990 Cb -0.13 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1kee s LEU 990 CO 0.04 -0.53 -0.21 0.54 -1.32 0.00 0.00 176.35 174.87 1kee s VAL 991 N 0.54 2.44 -0.02 1.68 0.11 -0.72 -4.86 120.40 119.58 1kee s VAL 991 Ca 0.59 -2.32 -0.03 0.00 -2.93 0.00 0.00 61.98 57.28 1kee s VAL 991 Cb -0.35 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 32.21 1kee s VAL 991 CO 0.34 -0.34 0.19 0.20 -3.33 0.00 0.00 175.10 172.16 1kee s ASN 992 N -3.32 6.38 1.14 3.54 0.02 -1.25 -4.16 114.94 117.30 1kee s ASN 992 Ca 0.28 0.38 -0.16 0.00 -1.02 0.00 0.00 52.86 52.33 1kee s ASN 992 Cb -0.06 -2.02 0.24 0.00 0.02 0.00 0.00 41.25 39.43 1kee s ASN 992 CO 0.14 0.28 0.98 0.29 0.02 0.00 0.00 177.10 178.81 1kee n LYS 993 N 1.06 -2.26 -0.03 -0.60 5.02 -1.26 -1.50 118.16 118.58 1kee n LYS 993 Ca -0.12 -1.55 -0.14 0.00 -2.02 0.00 0.00 58.31 54.48 1kee n LYS 993 Cb 0.53 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 34.13 1kee n LYS 993 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1kee h VAL 994 N -2.26 1.50 -0.75 -0.18 2.07 -1.96 -3.12 116.25 111.55 1kee h VAL 994 Ca -0.35 -1.64 0.21 0.00 0.82 0.00 0.00 66.70 65.73 1kee h VAL 994 Cb 1.04 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 33.29 1kee h VAL 994 CO 0.24 0.44 0.53 1.12 0.02 0.00 0.00 177.57 179.92 1kee h HIS 995 N -0.49 0.10 -0.12 1.57 2.07 -2.00 -2.90 115.15 113.38 1kee h HIS 995 Ca -0.01 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.39 1kee h HIS 995 Cb 0.79 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 30.72 1kee h HIS 995 CO 0.15 0.03 -0.48 0.93 -3.07 0.00 0.00 177.93 175.49 1kee h GLU 996 N 0.08 0.31 0.00 5.12 5.08 -1.90 -3.50 114.58 119.77 1kee h GLU 996 Ca 0.36 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1kee h GLU 996 Cb 1.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1kee h GLU 996 CO -0.03 0.73 0.00 0.41 -1.00 0.00 0.00 179.01 179.11 1kee n GLY 997 N 0.01 -0.55 2.88 -3.84 0.00 -1.10 -4.91 105.19 97.68 1kee n GLY 997 Ca -0.02 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 1kee n GLY 997 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kee s ARG 998 N -2.00 0.02 0.79 1.61 0.52 -1.26 -3.51 118.95 115.11 1kee s ARG 998 Ca 0.00 0.03 -0.12 0.00 -0.52 0.00 0.00 55.73 55.12 1kee s ARG 998 Cb 0.00 0.00 0.06 0.00 0.52 0.00 0.00 34.95 35.53 1kee s ARG 998 CO 0.00 -0.01 1.13 -2.14 0.02 0.00 0.00 175.30 174.31 1kee s PRO 999 N 0.04 2.17 0.54 3.54 0.02 -1.26 -5.07 135.00 134.98 1kee s PRO 999 Ca -0.00 0.33 0.04 0.00 0.02 0.00 0.00 61.00 61.38 1kee s PRO 999 Cb -0.00 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.59 1kee s PRO 999 CO -0.00 -1.49 0.28 -3.38 -0.33 0.00 0.00 177.00 172.08 1kee s HIS 1000N -3.41 1.66 0.36 6.54 -3.43 -1.23 -3.93 115.29 111.85 1kee s HIS 1000Ca 0.61 -0.89 0.13 0.00 -0.80 0.00 0.00 55.06 54.11 1kee s HIS 1000Cb -0.12 -1.81 0.96 0.00 -1.43 0.00 0.00 32.58 30.18 1kee s HIS 1000CO 0.51 -0.28 1.77 -0.84 -2.00 0.00 0.00 174.74 173.91 1kee h ILE 1001N 0.91 0.59 -0.43 -5.38 -0.00 -1.52 -1.77 117.51 109.91 1kee h ILE 1001Ca -0.39 -0.18 -0.02 0.00 -0.00 0.00 0.00 64.86 64.27 1kee h ILE 1001Cb 1.31 0.01 -0.02 0.00 -0.00 0.00 0.00 36.82 38.12 1kee h ILE 1001CO 0.62 0.10 0.18 -0.61 -0.00 0.00 0.00 178.15 178.44 1kee h GLN 1002N 0.53 0.64 -0.25 0.16 -0.00 -1.94 1.35 115.11 115.61 1kee h GLN 1002Ca 0.59 -0.11 -0.03 0.00 -0.00 0.00 0.00 58.65 59.10 1kee h GLN 1002Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 28.62 1kee h GLN 1002CO -0.35 0.58 0.02 -0.44 0.00 0.00 0.00 178.83 178.64 1kee h ASP 1003N 0.55 0.41 -0.44 -0.69 3.45 -1.74 0.63 116.42 118.59 1kee h ASP 1003Ca 0.14 -0.29 -0.11 0.00 0.43 0.00 0.00 57.03 57.21 1kee h ASP 1003Cb 0.17 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 1kee h ASP 1003CO -0.01 0.59 -0.14 0.03 -1.57 0.00 0.00 179.24 178.14 1kee h ARG 1004N 0.21 0.87 0.67 3.56 3.08 -0.41 -0.99 114.38 121.36 1kee h ARG 1004Ca 0.07 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1kee h ARG 1004Cb 0.37 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1kee h ARG 1004CO 0.01 0.99 -0.44 0.82 -1.07 0.00 0.00 179.97 180.28 1kee h ILE 1005N 0.70 0.11 -0.98 2.04 2.04 0.19 -1.26 117.51 120.36 1kee h ILE 1005Ca 0.11 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.16 1kee h ILE 1005Cb 0.69 0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 36.79 1kee h ILE 1005CO 0.05 0.00 0.61 0.50 0.00 0.00 0.00 178.15 179.31 1kee h LYS 1006N -1.06 0.64 0.00 2.37 3.64 -0.86 0.34 116.57 121.64 1kee h LYS 1006Ca -0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1kee h LYS 1006Cb 0.86 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1kee h LYS 1006CO 0.07 0.42 0.00 -1.71 -2.27 0.00 0.00 179.45 175.96 1kee n ASN 1007N -4.68 0.00 -1.45 4.20 5.15 -0.38 -4.85 115.26 113.25 1kee n ASN 1007Ca 0.22 -0.61 -0.07 0.00 -0.60 0.00 0.00 54.58 53.52 1kee n ASN 1007Cb 0.62 -0.07 0.02 0.00 -0.53 0.00 0.00 39.78 39.82 1kee n ASN 1007CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kee n GLY 1008N 0.60 0.49 0.15 8.20 0.00 0.12 -4.94 105.19 109.82 1kee n GLY 1008Ca 0.17 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.85 1kee n GLY 1008CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kee h GLU 1009N -0.83 0.00 -6.71 1.61 5.08 -1.36 -3.47 114.58 108.90 1kee h GLU 1009Ca -0.18 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.51 1kee h GLU 1009Cb 1.11 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.12 1kee h GLU 1009CO 0.17 0.30 -0.87 0.71 -1.00 0.00 0.00 179.01 178.32 1kee s TYR 1010N -3.06 2.23 -0.55 4.33 2.02 -1.26 -4.32 117.35 116.73 1kee s TYR 1010Ca 0.04 -0.40 0.12 0.00 -0.37 0.00 0.00 57.07 56.46 1kee s TYR 1010Cb 0.07 -1.27 -0.13 0.00 -0.40 0.00 0.00 41.96 40.23 1kee s TYR 1010CO 0.74 0.23 0.51 0.25 -1.57 0.00 0.00 175.55 175.70 1kee n THR 1011N 1.34 0.00 -3.62 -0.71 -2.24 -0.27 -4.91 114.28 103.87 1kee n THR 1011Ca -0.18 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.23 1kee n THR 1011Cb 0.53 0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 1kee n THR 1011CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1kee s TYR 1012N -2.17 -0.55 -0.04 4.78 5.04 -1.19 -4.12 117.35 119.09 1kee s TYR 1012Ca 0.04 1.09 -0.02 0.00 -2.44 0.00 0.00 57.07 55.74 1kee s TYR 1012Cb 0.09 0.28 0.03 0.00 0.35 0.00 0.00 41.96 42.71 1kee s TYR 1012CO 0.50 -0.47 0.09 0.42 -1.34 0.00 0.00 175.55 174.75 1kee s ILE 1013N -0.74 -0.03 -0.18 3.14 1.01 -0.87 -0.98 121.20 122.54 1kee s ILE 1013Ca -0.08 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.70 1kee s ILE 1013Cb -0.02 -0.15 0.03 0.00 0.01 0.00 0.00 42.46 42.32 1kee s ILE 1013CO 0.06 0.05 -0.15 -0.51 0.00 0.00 0.00 174.94 174.39 1kee s ILE 1014N 0.74 1.80 -0.18 2.92 1.10 0.12 -1.57 121.20 126.13 1kee s ILE 1014Ca -0.06 -0.89 -0.05 0.00 -0.51 0.00 0.00 60.65 59.14 1kee s ILE 1014Cb -0.08 -1.72 0.06 0.00 0.15 0.00 0.00 42.46 40.87 1kee s ILE 1014CO -0.03 0.39 0.09 0.21 -2.11 0.00 0.00 174.94 173.48 1kee s ASN 1015N 1.37 2.47 -0.04 4.50 3.84 -0.71 -0.59 114.94 125.77 1kee s ASN 1015Ca 0.03 -0.68 0.05 0.00 0.21 0.00 0.00 52.86 52.47 1kee s ASN 1015Cb -0.14 -0.28 -0.02 0.00 -0.55 0.00 0.00 41.25 40.25 1kee s ASN 1015CO -0.11 -0.35 -0.18 0.42 -2.79 0.00 0.00 177.10 174.09 1kee s THR 1016N 2.11 2.71 0.20 -5.21 -4.23 -0.43 -4.15 115.64 106.64 1kee s THR 1016Ca 0.02 -0.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.71 1kee s THR 1016Cb -0.16 -2.03 -0.05 0.00 1.34 0.00 0.00 72.50 71.60 1kee s THR 1016CO -0.11 0.58 -0.03 -0.89 -0.54 0.00 0.00 174.62 173.64 1kee s THR 1017N -0.63 1.01 -0.30 3.99 2.01 -1.26 -1.60 115.64 118.86 1kee s THR 1017Ca 0.09 -2.03 -0.13 0.00 0.31 0.00 0.00 61.69 59.94 1kee s THR 1017Cb -0.11 -2.17 0.13 0.00 0.01 0.00 0.00 72.50 70.36 1kee s THR 1017CO 0.00 -0.47 0.75 -0.55 -0.69 0.00 0.00 174.62 173.67 1kee s SER 1018N -3.24 -0.95 0.00 3.53 0.15 -1.26 -4.90 113.70 107.03 1kee s SER 1018Ca 0.24 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.24 1kee s SER 1018Cb 0.05 1.93 0.00 0.00 -1.71 0.00 0.00 66.02 66.29 1kee s SER 1018CO 0.06 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1kee n GLY 1019N 5.02 3.13 0.44 9.45 0.00 -1.26 -4.50 105.19 117.47 1kee n GLY 1019Ca -0.13 -1.36 0.28 0.00 0.00 0.00 0.00 46.02 44.81 1kee n GLY 1019CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1kee h ARG 1020N 0.00 0.25 0.01 1.61 9.65 -1.99 0.89 114.38 124.80 1kee h ARG 1020Ca 0.00 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1kee h ARG 1020Cb 0.00 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1kee h ARG 1020CO 0.00 0.17 -0.00 -0.09 2.80 0.00 0.00 179.97 182.84 1kee h ARG 1021N 0.26 -0.01 -0.78 0.20 1.12 -1.99 -2.05 114.38 111.13 1kee h ARG 1021Ca 0.64 0.00 0.19 0.00 -1.11 0.00 0.00 59.98 59.70 1kee h ARG 1021Cb 1.88 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 31.80 1kee h ARG 1021CO -0.28 0.82 0.53 0.00 -3.11 0.00 0.00 179.97 177.93 1kee h ALA 1022N -0.00 2.34 0.40 2.80 0.00 -1.44 0.48 119.26 123.84 1kee h ALA 1022Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1kee h ALA 1022Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1kee h ALA 1022CO 0.00 -0.57 -0.19 0.82 0.00 0.00 0.00 179.25 179.31 1kee h ILE 1023N 0.26 0.00 -0.88 0.00 2.04 -0.93 -2.38 117.51 115.62 1kee h ILE 1023Ca 0.39 -0.47 0.26 0.00 1.00 0.00 0.00 64.86 66.04 1kee h ILE 1023Cb 1.13 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1kee h ILE 1023CO -0.10 0.00 0.72 -0.33 0.00 0.00 0.00 178.15 178.44 1kee h GLU 1024N -1.01 0.00 0.02 2.37 5.08 -0.63 0.57 114.58 120.99 1kee h GLU 1024Ca -0.05 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 1kee h GLU 1024Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1kee h GLU 1024CO 0.09 0.00 -0.96 -0.44 -1.00 0.00 0.00 179.01 176.70 1kee h ASP 1025N 0.00 0.18 -0.03 1.42 3.45 -0.91 -3.30 116.42 117.23 1kee h ASP 1025Ca 0.42 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.71 1kee h ASP 1025Cb 1.85 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 40.57 1kee h ASP 1025CO -0.00 1.04 0.00 -1.54 -1.57 0.00 0.00 179.24 177.16 1kee n SER 1026N -3.55 2.75 -0.32 6.45 3.41 0.13 -4.46 113.62 118.03 1kee n SER 1026Ca -0.03 -1.91 0.20 0.00 -0.26 0.00 0.00 58.87 56.87 1kee n SER 1026Cb 0.87 -0.00 0.40 0.00 -0.26 0.00 0.00 64.21 65.22 1kee n SER 1026CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1kee h ARG 1027N 4.30 0.21 -0.15 4.33 2.43 -1.48 0.50 114.38 124.53 1kee h ARG 1027Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1kee h ARG 1027Cb 0.91 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1kee h ARG 1027CO 0.00 0.14 0.08 -0.24 -1.51 0.00 0.00 179.97 178.44 1kee h VAL 1028N 0.22 1.05 0.19 0.20 3.04 -1.85 -0.44 116.25 118.66 1kee h VAL 1028Ca 0.67 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 66.24 1kee h VAL 1028Cb 1.50 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1kee h VAL 1028CO -0.67 0.05 -0.09 0.40 -1.01 0.00 0.00 177.57 176.25 1kee h ILE 1029N 0.20 0.90 -0.47 3.17 2.04 -0.32 -1.83 117.51 121.21 1kee h ILE 1029Ca 0.05 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1kee h ILE 1029Cb 0.00 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1kee h ILE 1029CO -0.01 0.11 0.31 0.03 0.00 0.00 0.00 178.15 178.59 1kee h ARG 1030N -0.50 0.61 -0.65 2.37 3.08 -1.49 -0.49 114.38 117.31 1kee h ARG 1030Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1kee h ARG 1030Cb 0.38 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1kee h ARG 1030CO 0.04 0.41 0.43 0.00 -1.07 0.00 0.00 179.97 179.78 1kee h ARG 1031N 0.63 0.86 0.68 0.04 3.08 -1.11 -1.20 114.38 117.35 1kee h ARG 1031Ca 0.17 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1kee h ARG 1031Cb -0.07 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 29.79 1kee h ARG 1031CO -0.04 0.58 -0.33 0.77 -1.07 0.00 0.00 179.97 179.88 1kee h SER 1032N 0.88 -0.77 -0.79 7.04 0.02 -0.93 -0.42 113.55 118.58 1kee h SER 1032Ca 0.24 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.36 1kee h SER 1032Cb -0.09 0.20 -0.10 0.00 0.14 0.00 0.00 62.40 62.55 1kee h SER 1032CO -0.05 -0.52 0.32 0.00 -1.14 0.00 0.00 176.83 175.44 1kee h ALA 1033N -0.65 1.15 0.54 3.77 0.00 -1.01 0.07 119.26 123.13 1kee h ALA 1033Ca -0.09 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1kee h ALA 1033Cb 0.71 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1kee h ALA 1033CO 0.15 -0.23 -0.26 1.25 0.00 0.00 0.00 179.25 180.16 1kee h LEU 1034N 0.44 -0.62 -1.28 0.00 5.85 -1.05 -0.34 115.31 118.32 1kee h LEU 1034Ca 0.45 -0.01 0.23 0.00 0.84 0.00 0.00 57.88 59.39 1kee h LEU 1034Cb 0.72 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.81 1kee h LEU 1034CO -0.43 -0.38 0.63 -0.61 -0.34 0.00 0.00 178.44 177.31 1kee h GLN 1035N -0.81 0.49 -0.30 1.25 4.15 -0.29 -0.81 115.11 118.78 1kee h GLN 1035Ca -0.07 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1kee h GLN 1035Cb 0.59 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1kee h GLN 1035CO 0.12 0.33 0.00 0.66 -1.93 0.00 0.00 178.83 178.01 1kee n TYR 1036N -4.66 0.39 -3.31 3.99 4.02 -0.06 -4.96 117.16 112.57 1kee n TYR 1036Ca 0.24 -0.19 -0.17 0.00 -0.01 0.00 0.00 57.90 57.76 1kee n TYR 1036Cb 0.75 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 40.14 1kee n TYR 1036CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1kee n LYS 1037N 1.06 -6.12 -3.92 -0.72 4.76 -0.31 -5.01 118.16 107.89 1kee n LYS 1037Ca 0.18 0.70 -0.35 0.00 -2.87 0.00 0.00 58.31 55.97 1kee n LYS 1037Cb 0.50 -5.30 -0.09 0.00 -1.84 0.00 0.00 35.03 28.30 1kee n LYS 1037CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1kee s VAL 1038N -3.28 4.99 0.18 -0.18 1.01 -0.25 -4.78 120.40 118.08 1kee s VAL 1038Ca 0.27 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 1kee s VAL 1038Cb -0.12 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.91 1kee s VAL 1038CO 0.61 0.46 1.58 -2.28 0.00 0.00 0.00 175.10 175.47 1kee s HIS 1039N 0.30 3.03 0.05 5.22 2.46 -1.26 -4.57 115.29 120.52 1kee s HIS 1039Ca 0.05 0.62 0.02 0.00 0.47 0.00 0.00 55.06 56.22 1kee s HIS 1039Cb -0.12 -3.95 -0.03 0.00 -0.13 0.00 0.00 32.58 28.35 1kee s HIS 1039CO -0.00 -3.50 -0.08 1.52 -2.47 0.00 0.00 174.74 170.21 1kee s TYR 1040N 1.04 0.73 0.03 3.88 -0.85 -1.26 -2.06 117.35 118.87 1kee s TYR 1040Ca 0.70 -0.56 0.08 0.00 -0.52 0.00 0.00 57.07 56.77 1kee s TYR 1040Cb -0.45 -0.43 -0.02 0.00 0.38 0.00 0.00 41.96 41.44 1kee s TYR 1040CO 0.32 -0.09 -0.24 -0.51 -1.52 0.00 0.00 175.55 173.52 1kee s ASP 1041N -1.82 2.85 0.00 -0.18 -0.00 -0.61 -4.99 116.67 111.93 1kee s ASP 1041Ca -0.06 -0.52 0.06 0.00 -0.00 0.00 0.00 52.55 52.03 1kee s ASP 1041Cb -0.08 -0.27 0.17 0.00 -0.00 0.00 0.00 42.92 42.74 1kee s ASP 1041CO -0.00 0.24 1.11 0.35 -0.00 0.00 0.00 175.17 176.87 1kee n THR 1042N 2.00 0.90 -4.09 -1.27 -2.24 -1.26 -1.75 114.28 106.58 1kee n THR 1042Ca -0.17 -0.95 -0.13 0.00 -2.27 0.00 0.00 64.05 60.53 1kee n THR 1042Cb 0.52 0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 69.20 1kee n THR 1042CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1kee s THR 1043N -0.96 0.61 0.13 4.28 -4.23 -1.26 -4.54 115.64 109.68 1kee s THR 1043Ca 0.13 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 1kee s THR 1043Cb 0.07 -0.80 -0.19 0.00 1.34 0.00 0.00 72.50 72.92 1kee s THR 1043CO 0.09 -0.43 1.30 0.25 -0.54 0.00 0.00 174.62 175.29 1kee h LEU 1044N 4.27 0.30 -0.23 4.79 5.85 -1.94 -1.61 115.31 126.74 1kee h LEU 1044Ca -0.36 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.10 1kee h LEU 1044Cb 1.20 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1kee h LEU 1044CO 0.44 1.12 0.13 0.78 -0.34 0.00 0.00 178.44 180.57 1kee h ASN 1045N 0.10 0.21 0.13 1.25 2.35 -1.96 0.66 115.58 118.33 1kee h ASN 1045Ca -0.07 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 1kee h ASN 1045Cb 1.66 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.99 1kee h ASN 1045CO 0.15 0.16 -0.13 1.23 -1.65 0.00 0.00 177.43 177.19 1kee h GLY 1046N 0.27 0.00 1.31 2.83 0.00 -1.76 -2.42 103.07 103.31 1kee h GLY 1046Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 1kee h GLY 1046CO -0.05 0.00 -0.52 -1.33 0.00 0.00 0.00 176.54 174.64 1kee h GLY 1047N 0.40 0.80 1.07 4.60 0.00 -0.02 -2.14 103.07 107.77 1kee h GLY 1047Ca -0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 47.33 46.36 1kee h GLY 1047CO 0.02 0.82 0.22 0.74 0.00 0.00 0.00 176.54 178.34 1kee h PHE 1048N 0.57 1.20 -0.63 5.60 0.04 -0.47 -1.87 116.94 121.38 1kee h PHE 1048Ca 0.02 -0.12 -0.06 0.00 2.80 0.00 0.00 57.97 60.60 1kee h PHE 1048Cb 1.10 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.88 1kee h PHE 1048CO 0.06 0.95 0.14 0.00 -0.60 0.00 0.00 178.31 178.86 1kee h ALA 1049N 1.13 0.83 -0.65 2.45 0.00 -1.43 0.40 119.26 121.98 1kee h ALA 1049Ca 0.24 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1kee h ALA 1049Cb 0.32 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1kee h ALA 1049CO -0.01 0.55 0.43 1.15 0.00 0.00 0.00 179.25 181.38 1kee h THR 1050N 0.93 1.07 -0.09 0.00 2.02 -1.10 0.87 112.91 116.60 1kee h THR 1050Ca 0.20 -0.26 -0.17 0.00 0.77 0.00 0.00 66.41 66.95 1kee h THR 1050Cb 0.37 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1kee h THR 1050CO 0.00 0.14 -0.61 0.00 0.37 0.00 0.00 175.52 175.42 1kee h ALA 1051N 1.63 0.20 -0.31 6.16 0.00 -0.50 -3.07 119.26 123.37 1kee h ALA 1051Ca 0.27 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1kee h ALA 1051Cb 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1kee h ALA 1051CO -0.08 0.46 0.16 0.52 0.00 0.00 0.00 179.25 180.31 1kee h MET 1052N 0.20 0.32 -0.10 0.00 2.86 0.56 -1.47 114.93 117.30 1kee h MET 1052Ca -0.05 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1kee h MET 1052Cb 1.26 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 1kee h MET 1052CO 0.12 0.21 0.30 0.00 1.06 0.00 0.00 176.91 178.61 1kee h ALA 1053N 1.15 1.50 -0.10 6.32 0.00 -0.86 -1.39 119.26 125.89 1kee h ALA 1053Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1kee h ALA 1053Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1kee h ALA 1053CO -0.08 -0.35 0.00 -0.07 0.00 0.00 0.00 179.25 178.75 1kee h LEU 1054N 0.00 0.12 -1.60 0.00 3.38 -1.16 -1.10 115.31 114.95 1kee h LEU 1054Ca 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1kee h LEU 1054Cb 0.65 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1kee h LEU 1054CO -0.00 0.15 -0.02 0.78 0.09 0.00 0.00 178.44 179.44 1kee h ASN 1055N 0.13 0.00 -1.61 -0.43 -0.26 -1.39 -3.45 115.58 108.57 1kee h ASN 1055Ca 0.03 0.00 -0.44 0.00 -0.56 0.00 0.00 56.30 55.33 1kee h ASN 1055Cb 0.10 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.39 1kee h ASN 1055CO 0.00 0.02 -0.14 0.00 -1.06 0.00 0.00 177.43 176.26 1kee s ALA 1056N -3.73 4.34 -0.34 -0.83 0.00 -0.42 -5.08 121.76 115.70 1kee s ALA 1056Ca 0.00 -1.70 -0.01 0.00 0.00 0.00 0.00 51.96 50.25 1kee s ALA 1056Cb 0.10 -1.73 0.12 0.00 0.00 0.00 0.00 23.12 21.60 1kee s ALA 1056CO 0.54 -0.64 0.16 0.34 0.00 0.00 0.00 175.76 176.17 1kee s ASP 1057N -4.48 3.53 0.64 0.00 3.68 -1.26 -5.01 116.67 113.77 1kee s ASP 1057Ca 0.58 -1.89 0.25 0.00 2.13 0.00 0.00 52.55 53.62 1kee s ASP 1057Cb -0.09 -0.63 1.29 0.00 -1.45 0.00 0.00 42.92 42.04 1kee s ASP 1057CO 0.37 -0.36 1.73 0.00 0.13 0.00 0.00 175.17 177.03 1kee h ALA 1058N 7.61 1.76 -0.40 3.66 0.00 -1.88 0.30 119.26 130.30 1kee h ALA 1058Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1kee h ALA 1058Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1kee h ALA 1058CO 0.41 -0.63 0.00 0.25 0.00 0.00 0.00 179.25 179.28 1kee n THR 1059N -3.06 1.13 -0.01 0.00 -2.24 -1.26 -4.61 114.28 104.22 1kee n THR 1059Ca 0.03 -1.07 -0.17 0.00 -2.27 0.00 0.00 64.05 60.56 1kee n THR 1059Cb 0.62 0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 1kee n THR 1059CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1kee h GLU 1060N 2.37 0.48 -3.60 -0.78 4.81 -0.83 -3.47 114.58 113.57 1kee h GLU 1060Ca 0.00 -0.44 -0.20 0.00 -0.13 0.00 0.00 59.36 58.59 1kee h GLU 1060Cb 0.84 0.11 -0.26 0.00 0.63 0.00 0.00 28.75 30.07 1kee h GLU 1060CO 0.03 1.08 -0.63 0.21 -0.73 0.00 0.00 179.01 178.97 1kee s LYS 1061N -3.48 0.14 0.09 1.92 2.20 -1.26 -5.15 119.74 114.19 1kee s LYS 1061Ca -0.13 -0.02 0.09 0.00 -0.36 0.00 0.00 55.97 55.56 1kee s LYS 1061Cb 0.05 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 1kee s LYS 1061CO 0.83 -0.02 -0.25 0.14 -0.36 0.00 0.00 175.35 175.68 1kee s VAL 1062N -0.25 2.05 0.01 4.02 -7.23 -1.26 -5.03 120.40 112.72 1kee s VAL 1062Ca -0.03 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1kee s VAL 1062Cb -0.02 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 1kee s VAL 1062CO 0.00 0.17 0.00 -0.51 -0.31 0.00 0.00 175.10 174.46 1kee s ILE 1063N -0.95 0.09 0.32 -0.62 2.07 -1.26 -5.10 121.20 115.75 1kee s ILE 1063Ca 0.11 -0.73 -0.01 0.00 -1.41 0.00 0.00 60.65 58.61 1kee s ILE 1063Cb -0.10 -0.25 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 1kee s ILE 1063CO 0.04 -0.40 0.53 -0.94 -1.91 0.00 0.00 174.94 172.26 1kee s SER 1064N -1.21 6.33 0.24 4.50 1.04 -1.26 -4.57 113.70 118.77 1kee s SER 1064Ca -0.13 0.49 -0.06 0.00 0.48 0.00 0.00 55.95 56.72 1kee s SER 1064Cb -0.08 -2.05 0.24 0.00 0.10 0.00 0.00 66.02 64.23 1kee s SER 1064CO -0.00 -0.25 1.91 0.58 0.98 0.00 0.00 173.24 176.45 1kee h VAL 1065N 0.93 1.26 -0.51 5.02 2.07 -1.00 0.79 116.25 124.81 1kee h VAL 1065Ca -0.49 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 66.55 1kee h VAL 1065Cb 1.21 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1kee h VAL 1065CO 0.63 0.26 0.28 1.56 0.02 0.00 0.00 177.57 180.32 1kee h GLN 1066N 1.33 0.53 -0.52 1.57 7.50 -1.90 -1.06 115.11 122.56 1kee h GLN 1066Ca 0.35 -0.03 -0.11 0.00 0.50 0.00 0.00 58.65 59.36 1kee h GLN 1066Cb -0.10 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.29 1kee h GLN 1066CO -0.07 0.35 -0.11 0.93 -1.50 0.00 0.00 178.83 178.43 1kee h GLU 1067N 0.55 0.97 -0.11 1.46 5.08 -1.75 -2.24 114.58 118.54 1kee h GLU 1067Ca 0.22 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1kee h GLU 1067Cb 0.09 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1kee h GLU 1067CO -0.13 1.02 -0.10 0.52 -1.00 0.00 0.00 179.01 179.32 1kee h MET 1068N 0.87 -0.11 0.00 2.33 2.86 -0.22 -1.83 114.93 118.83 1kee h MET 1068Ca 0.14 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1kee h MET 1068Cb 0.65 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1kee h MET 1068CO 0.05 -0.07 0.00 0.72 1.06 0.00 0.00 176.91 178.66 1kee n HIS 1069N -5.24 0.71 1.12 -0.22 8.25 -0.46 -2.07 115.22 117.32 1kee n HIS 1069Ca -0.04 0.26 0.13 0.00 -0.26 0.00 0.00 57.72 57.82 1kee n HIS 1069Cb 0.16 -0.93 0.42 0.00 1.12 0.00 0.00 29.99 30.76 1kee n HIS 1069CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kee n ALA 1070N -1.74 3.08 0.19 -1.41 0.00 -0.72 -3.47 120.51 116.44 1kee n ALA 1070Ca 0.03 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1kee n ALA 1070Cb 0.26 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 1kee n ALA 1070CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1kee n GLN 1071N -1.25 0.54 -2.37 0.00 6.02 -0.88 -4.94 117.38 114.50 1kee n GLN 1071Ca 0.09 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 1kee n GLN 1071Cb 0.33 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 1kee n GLN 1071CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1kee s ILE 1072N -3.38 3.97 -2.91 5.09 1.01 -1.23 -4.86 121.20 118.89 1kee s ILE 1072Ca -0.02 1.37 0.23 0.00 0.00 0.00 0.00 60.65 62.23 1kee s ILE 1072Cb 0.13 -3.88 0.18 0.00 0.01 0.00 0.00 42.46 38.90 1kee s ILE 1072CO 0.85 0.05 1.24 0.29 0.00 0.00 0.00 174.94 177.37