#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 -2.98 -1.69 0.03 -0.02 -1.26 -3.64 135.00 125.43 1kee n PRO 2 Ca 0.00 -1.66 -0.41 0.00 -2.02 0.00 0.00 63.50 59.41 1kee n PRO 2 Cb 0.00 -1.54 0.02 0.00 -0.02 0.00 0.00 33.50 31.95 1kee n PRO 2 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1kee n LYS 3 N -4.64 1.81 -1.66 -0.52 2.85 -1.26 -4.16 118.16 110.58 1kee n LYS 3 Ca 0.14 0.65 -0.41 0.00 -1.05 0.00 0.00 58.31 57.64 1kee n LYS 3 Cb 0.56 -2.36 0.01 0.00 -0.65 0.00 0.00 35.03 32.59 1kee n LYS 3 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1kee n ARG 4 N -0.09 1.67 -0.07 -1.58 1.74 0.21 -4.98 116.66 113.57 1kee n ARG 4 Ca 0.07 0.60 -0.04 0.00 -0.77 0.00 0.00 57.85 57.71 1kee n ARG 4 Cb 0.40 -2.22 -0.16 0.00 -1.02 0.00 0.00 32.46 29.47 1kee n ARG 4 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1kee n THR 5 N -0.28 1.05 0.64 0.55 -2.24 -1.26 -4.29 114.28 108.45 1kee n THR 5 Ca 0.08 -0.76 0.10 0.00 -2.27 0.00 0.00 64.05 61.19 1kee n THR 5 Cb 0.39 -0.38 0.42 0.00 -2.10 0.00 0.00 70.33 68.66 1kee n THR 5 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1kee n ASP 6 N -2.64 0.08 -4.31 3.42 3.85 -1.26 -4.66 116.55 111.02 1kee n ASP 6 Ca -0.24 0.51 -0.36 0.00 -0.71 0.00 0.00 54.79 53.99 1kee n ASP 6 Cb 1.00 -0.53 -0.13 0.00 -1.35 0.00 0.00 41.12 40.10 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 -3.03 3.59 -0.13 2.12 1.01 -1.26 -4.94 121.20 118.56 1kee s ILE 7 Ca 0.09 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 1kee s ILE 7 Cb 0.12 -2.77 -0.08 0.00 0.01 0.00 0.00 42.46 39.74 1kee s ILE 7 CO 0.36 0.23 -0.13 0.29 0.00 0.00 0.00 174.94 175.70 1kee n LYS 8 N 4.81 0.32 -4.45 2.79 5.02 -1.26 -4.94 118.16 120.45 1kee n LYS 8 Ca -0.16 0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 1kee n LYS 8 Cb 0.49 -1.22 -0.11 0.00 -0.02 0.00 0.00 35.03 34.17 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 -5.42 4.25 -0.02 4.39 1.04 -1.26 -1.04 113.70 115.64 1kee s SER 9 Ca -0.18 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1kee s SER 9 Cb 0.05 -0.83 0.02 0.00 0.10 0.00 0.00 66.02 65.36 1kee s SER 9 CO 0.29 0.24 -0.00 -0.63 0.98 0.00 0.00 173.24 174.12 1kee s ILE 10 N -1.05 0.13 -0.25 -1.02 1.01 0.17 -2.25 121.20 117.94 1kee s ILE 10 Ca 0.18 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.79 1kee s ILE 10 Cb -0.11 -0.20 -0.05 0.00 0.01 0.00 0.00 42.46 42.12 1kee s ILE 10 CO 0.09 0.11 0.15 -0.22 0.00 0.00 0.00 174.94 175.06 1kee s LEU 11 N 0.72 3.93 -0.24 2.97 2.96 0.57 -0.33 118.68 129.27 1kee s LEU 11 Ca -0.07 0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.78 1kee s LEU 11 Cb -0.10 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1kee s LEU 11 CO -0.01 0.01 0.07 -0.63 -1.32 0.00 0.00 176.35 174.47 1kee s ILE 12 N 1.36 4.39 -0.36 6.68 1.01 0.36 -1.07 121.20 133.57 1kee s ILE 12 Ca 0.07 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.28 1kee s ILE 12 Cb -0.15 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.30 1kee s ILE 12 CO 0.06 0.35 1.06 -0.76 0.00 0.00 0.00 174.94 175.66 1kee s LEU 13 N 1.45 3.88 0.76 2.97 1.43 -0.89 -2.41 118.68 125.88 1kee s LEU 13 Ca 0.06 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 53.92 1kee s LEU 13 Cb -0.15 -3.50 0.05 0.00 0.03 0.00 0.00 46.19 42.62 1kee s LEU 13 CO 0.04 -0.95 1.09 -0.83 0.23 0.00 0.00 176.35 175.93 1kee s GLY 14 N 1.84 1.63 0.41 -3.19 0.00 -0.09 -3.26 107.32 104.66 1kee s GLY 14 Ca 0.45 -0.19 0.25 0.00 0.00 0.00 0.00 44.72 45.22 1kee s GLY 14 CO 0.19 0.21 1.68 0.00 0.00 0.00 0.00 173.10 175.18 1kee h ALA 15 N -0.95 1.00 -0.03 3.20 0.00 -1.81 -3.39 119.26 117.28 1kee h ALA 15 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1kee h ALA 15 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1kee h ALA 15 CO 0.60 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1kee n GLY 16 N 0.98 -1.81 3.60 0.00 0.00 -1.26 -4.75 105.19 101.95 1kee n GLY 16 Ca 0.04 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 1kee n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kee n PRO 17 N -0.02 1.29 -2.15 1.61 -0.04 -1.26 -4.54 135.00 129.89 1kee n PRO 17 Ca 0.00 0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 63.50 1kee n PRO 17 Cb 0.00 -2.03 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 1kee n PRO 17 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1kee s ILE 18 N -1.30 3.53 0.25 0.52 -1.09 -1.26 -4.94 121.20 116.91 1kee s ILE 18 Ca 0.64 0.94 0.02 0.00 -2.23 0.00 0.00 60.65 60.02 1kee s ILE 18 Cb -0.55 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 36.68 1kee s ILE 18 CO 0.56 0.00 0.07 0.68 -1.23 0.00 0.00 174.94 175.02 1kee s VAL 19 N 2.41 0.68 0.11 2.92 -7.23 -0.83 -2.42 120.40 116.04 1kee s VAL 19 Ca 0.66 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.52 1kee s VAL 19 Cb -0.34 -2.53 -0.10 0.00 0.56 0.00 0.00 36.38 33.98 1kee s VAL 19 CO 0.28 -0.12 1.75 -0.63 -0.31 0.00 0.00 175.10 176.08 1kee s ILE 20 N -3.67 2.70 0.00 -0.62 1.01 -1.26 -1.29 121.20 118.07 1kee s ILE 20 Ca 0.34 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.21 1kee s ILE 20 Cb 0.07 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1kee s ILE 20 CO 0.12 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.67 1kee n GLY 21 N 4.13 0.84 2.67 6.18 0.00 -1.26 -4.93 105.19 112.81 1kee n GLY 21 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1kee n GLY 21 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kee s GLN 22 N -0.77 1.01 0.00 1.61 0.74 -0.41 -4.67 119.66 117.17 1kee s GLN 22 Ca 0.00 -1.34 0.00 0.00 0.05 0.00 0.00 55.36 54.07 1kee s GLN 22 Cb 0.00 -0.46 0.00 0.00 1.10 0.00 0.00 33.01 33.65 1kee s GLN 22 CO 0.00 -1.34 0.00 0.00 -0.55 0.00 0.00 175.29 173.40 1kee n ALA 23 N 2.99 0.00 0.30 1.58 0.00 -1.24 -1.97 120.51 122.16 1kee n ALA 23 Ca 0.21 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.82 1kee n ALA 23 Cb 0.53 0.00 0.97 0.00 0.00 0.00 0.00 19.45 20.96 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 0.00 0.00 0.00 0.00 9.09 -1.88 0.12 114.58 121.91 1kee h GLU 25 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1kee h GLU 25 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1kee h GLU 25 CO -0.00 0.00 -0.46 0.74 0.05 0.00 0.00 179.01 179.34 1kee h PHE 26 N 0.00 0.00 0.19 2.06 0.04 -1.75 -1.04 116.94 116.44 1kee h PHE 26 Ca 0.24 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.70 1kee h PHE 26 Cb 1.53 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.71 1kee h PHE 26 CO 0.00 0.00 -1.36 0.22 -0.60 0.00 0.00 178.31 176.57 1kee h ASP 27 N 0.00 0.69 -0.01 2.17 -0.00 -0.98 0.12 116.42 118.41 1kee h ASP 27 Ca 0.00 -0.73 -0.00 0.00 -0.00 0.00 0.00 57.03 56.30 1kee h ASP 27 Cb 0.83 -0.22 -0.00 0.00 -0.00 0.00 0.00 39.33 39.93 1kee h ASP 27 CO 0.00 1.56 0.01 0.22 -0.00 0.00 0.00 179.24 181.03 1kee h TYR 28 N 0.14 0.02 0.07 0.28 3.20 -1.39 0.15 116.97 119.44 1kee h TYR 28 Ca -0.20 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 1kee h TYR 28 Cb 2.06 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.33 1kee h TYR 28 CO 0.10 0.17 -0.03 0.77 -1.64 0.00 0.00 178.16 177.53 1kee h SER 29 N -0.14 -0.08 -0.64 -2.11 0.02 -1.25 -2.22 113.55 107.14 1kee h SER 29 Ca 0.00 -0.37 0.06 0.00 -0.84 0.00 0.00 61.79 60.65 1kee h SER 29 Cb 0.16 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.66 1kee h SER 29 CO -0.00 0.34 0.34 1.23 -1.14 0.00 0.00 176.83 177.59 1kee h GLY 30 N -0.52 0.93 1.77 -3.77 0.00 -0.78 0.58 103.07 101.28 1kee h GLY 30 Ca -0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 1kee h GLY 30 CO 0.02 0.12 -0.21 0.00 0.00 0.00 0.00 176.54 176.47 1kee h ALA 31 N 1.35 1.36 -0.40 3.60 0.00 -0.72 -0.45 119.26 124.00 1kee h ALA 31 Ca 0.29 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1kee h ALA 31 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1kee h ALA 31 CO -0.20 0.44 -0.04 1.96 0.00 0.00 0.00 179.25 181.41 1kee h GLN 32 N 0.25 0.73 -0.66 0.00 4.20 -0.47 -1.55 115.11 117.61 1kee h GLN 32 Ca 0.04 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1kee h GLN 32 Cb 0.51 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1kee h GLN 32 CO 0.03 0.84 0.38 0.00 -0.67 0.00 0.00 178.83 179.42 1kee h ALA 33 N 0.87 0.85 -0.51 3.87 0.00 -0.48 -0.29 119.26 123.56 1kee h ALA 33 Ca 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1kee h ALA 33 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1kee h ALA 33 CO 0.03 0.34 0.06 0.00 0.00 0.00 0.00 179.25 179.68 1kee h LYS 35 N 0.74 1.09 -0.23 0.00 3.64 -0.92 -1.55 116.57 119.35 1kee h LYS 35 Ca 0.15 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1kee h LYS 35 Cb 0.43 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1kee h LYS 35 CO 0.01 0.96 -0.11 0.00 -2.27 0.00 0.00 179.45 178.04 1kee h ALA 36 N 1.08 0.33 -0.41 5.00 0.00 -1.02 -2.20 119.26 122.04 1kee h ALA 36 Ca 0.22 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1kee h ALA 36 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1kee h ALA 36 CO -0.00 0.18 -0.17 -0.07 0.00 0.00 0.00 179.25 179.18 1kee h LEU 37 N 0.20 0.86 -0.31 0.00 3.38 -1.46 -2.46 115.31 115.51 1kee h LEU 37 Ca 0.05 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1kee h LEU 37 Cb 0.61 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1kee h LEU 37 CO 0.03 1.06 0.18 -0.09 0.09 0.00 0.00 178.44 179.72 1kee h ARG 38 N 0.65 0.43 -0.86 1.13 2.43 -1.35 -0.61 114.38 116.20 1kee h ARG 38 Ca 0.09 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.32 1kee h ARG 38 Cb 0.73 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 1kee h ARG 38 CO 0.06 0.35 0.56 0.93 -1.51 0.00 0.00 179.97 180.35 1kee h GLU 39 N 0.39 0.80 -0.01 0.20 5.08 -1.30 -0.52 114.58 119.23 1kee h GLU 39 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1kee h GLU 39 Cb 0.04 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1kee h GLU 39 CO -0.02 0.53 0.00 0.39 -1.00 0.00 0.00 179.01 178.91 1kee n GLU 40 N -4.52 1.25 -1.41 2.33 -0.58 -0.89 -4.92 120.64 111.90 1kee n GLU 40 Ca 0.15 -0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1kee n GLU 40 Cb 0.32 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 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 0.67 3.94 0.62 0.00 -0.20 -5.06 105.19 106.21 1kee n GLY 41 Ca 0.22 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.00 3.48 -0.27 1.61 2.02 -0.29 -5.01 117.35 116.89 1kee s TYR 42 Ca 0.00 0.28 -0.22 0.00 -0.37 0.00 0.00 57.07 56.76 1kee s TYR 42 Cb 0.00 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1kee s TYR 42 CO 0.00 0.33 0.70 0.50 -1.57 0.00 0.00 175.55 175.51 1kee s ARG 43 N -3.66 4.08 -0.20 -0.62 3.52 -0.21 -4.41 118.95 117.45 1kee s ARG 43 Ca 0.38 0.62 -0.05 0.00 -0.13 0.00 0.00 55.73 56.54 1kee s ARG 43 Cb -0.10 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 1kee s ARG 43 CO 0.31 -0.50 0.01 0.08 -0.81 0.00 0.00 175.30 174.38 1kee s VAL 44 N 2.67 4.07 -0.05 7.11 1.01 -1.26 0.44 120.40 134.39 1kee s VAL 44 Ca 0.29 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1kee s VAL 44 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1kee s VAL 44 CO 0.09 0.43 -0.22 -0.63 0.00 0.00 0.00 175.10 174.77 1kee s ILE 45 N 0.88 2.34 0.00 2.22 1.01 0.55 -1.68 121.20 126.52 1kee s ILE 45 Ca 0.01 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.58 1kee s ILE 45 Cb -0.14 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.47 1kee s ILE 45 CO 0.02 0.57 0.21 -1.48 0.00 0.00 0.00 174.94 174.27 1kee s LEU 46 N -0.39 1.26 -0.05 2.97 -0.00 -0.66 0.13 118.68 121.96 1kee s LEU 46 Ca 0.03 -0.13 0.05 0.00 -0.00 0.00 0.00 54.13 54.09 1kee s LEU 46 Cb -0.12 0.94 -0.01 0.00 -0.00 0.00 0.00 46.19 47.00 1kee s LEU 46 CO 0.02 -0.43 -0.22 0.54 -0.00 0.00 0.00 176.35 176.26 1kee s VAL 47 N -1.57 1.77 -0.30 1.48 0.11 -1.01 -0.60 120.40 120.28 1kee s VAL 47 Ca -0.13 -0.91 -0.09 0.00 -2.93 0.00 0.00 61.98 57.92 1kee s VAL 47 Cb -0.06 -1.50 0.15 0.00 -1.53 0.00 0.00 36.38 33.45 1kee s VAL 47 CO 0.02 0.50 0.72 0.21 -3.33 0.00 0.00 175.10 173.22 1kee s ASN 48 N -0.13 -1.06 0.27 3.54 3.84 0.68 -0.91 114.94 121.17 1kee s ASN 48 Ca -0.02 1.22 0.25 0.00 0.21 0.00 0.00 52.86 54.52 1kee s ASN 48 Cb -0.12 2.11 0.95 0.00 -0.55 0.00 0.00 41.25 43.64 1kee s ASN 48 CO 0.03 -0.20 1.74 0.77 -2.79 0.00 0.00 177.10 176.65 1kee h SER 49 N 7.90 0.00 -3.46 -4.21 4.64 -1.78 -3.36 113.55 113.28 1kee h SER 49 Ca -0.18 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.54 1kee h SER 49 Cb 1.12 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.12 1kee h SER 49 CO 0.12 0.00 0.59 0.21 -0.87 0.00 0.00 176.83 176.88 1kee s ASN 50 N -4.45 6.70 0.37 4.97 2.47 -1.26 -1.58 114.94 122.16 1kee s ASN 50 Ca 0.06 0.63 0.20 0.00 0.42 0.00 0.00 52.86 54.17 1kee s ASN 50 Cb 0.10 -2.46 0.32 0.00 -1.45 0.00 0.00 41.25 37.76 1kee s ASN 50 CO 0.46 -0.82 1.57 1.55 -3.72 0.00 0.00 177.10 176.14 1kee h PRO 51 N 8.39 0.00 -1.92 0.43 0.13 -1.84 -3.33 132.00 133.85 1kee h PRO 51 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1kee h PRO 51 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1kee h PRO 51 CO 0.97 0.27 0.05 0.00 -0.23 0.00 0.00 178.00 179.06 1kee n ALA 52 N -2.18 4.38 -2.50 -0.56 0.00 -1.26 -4.69 120.51 113.71 1kee n ALA 52 Ca 0.02 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 52.78 1kee n ALA 52 Cb 0.61 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.33 1.54 0.27 0.00 -4.23 -1.25 -4.62 115.64 107.02 1kee s THR 53 Ca 0.11 -1.07 0.17 0.00 -1.18 0.00 0.00 61.69 59.72 1kee s THR 53 Cb 0.07 -1.33 0.12 0.00 1.34 0.00 0.00 72.50 72.70 1kee s THR 53 CO -0.00 0.23 1.79 0.40 -0.54 0.00 0.00 174.62 176.50 1kee h ILE 54 N 4.46 1.02 0.00 2.99 1.08 -1.89 -2.58 117.51 122.59 1kee h ILE 54 Ca -0.41 -1.39 0.00 0.00 -0.39 0.00 0.00 64.86 62.67 1kee h ILE 54 Cb 1.16 1.81 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 1kee h ILE 54 CO 0.45 0.36 0.00 1.15 -0.69 0.00 0.00 178.15 179.42 1kee n MET 55 N -3.74 0.16 -0.28 2.37 0.00 -1.26 -1.63 117.12 112.75 1kee n MET 55 Ca -0.01 0.43 0.11 0.00 0.00 0.00 0.00 57.70 58.23 1kee n MET 55 Cb 0.46 -1.84 0.26 0.00 0.00 0.00 0.00 33.22 32.10 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 -2.15 0.78 -2.22 3.17 -2.24 -0.97 -4.87 114.28 105.78 1kee n THR 56 Ca 0.02 -0.89 -0.42 0.00 -2.27 0.00 0.00 64.05 60.49 1kee n THR 56 Cb 0.20 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 1kee n THR 56 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1kee s ASP 57 N -1.20 6.86 0.39 3.42 -0.00 -0.64 -4.89 116.67 120.60 1kee s ASP 57 Ca 0.43 2.17 0.19 0.00 -0.00 0.00 0.00 52.55 55.34 1kee s ASP 57 Cb 0.23 -2.57 1.14 0.00 -0.00 0.00 0.00 42.92 41.73 1kee s ASP 57 CO 0.31 -0.68 1.72 1.55 -0.00 0.00 0.00 175.17 178.07 1kee h PRO 58 N 7.45 0.33 0.00 8.23 0.14 -1.91 -0.09 132.00 146.14 1kee h PRO 58 Ca -0.40 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 65.72 1kee h PRO 58 Cb 1.19 -0.07 0.00 0.00 0.14 0.00 0.00 31.00 32.26 1kee h PRO 58 CO 0.88 0.22 0.00 -0.85 0.14 0.00 0.00 178.00 178.39 1kee n GLU 59 N -4.74 0.43 0.04 0.86 0.00 -1.26 -3.51 120.64 112.46 1kee n GLU 59 Ca 0.29 0.02 0.12 0.00 0.00 0.00 0.00 57.16 57.59 1kee n GLU 59 Cb 0.99 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 31.12 1kee n GLU 59 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1kee n MET 60 N -1.27 0.20 -4.13 3.44 2.81 -0.05 -4.95 117.12 113.17 1kee n MET 60 Ca 0.14 0.05 -0.14 0.00 -1.81 0.00 0.00 57.70 55.93 1kee n MET 60 Cb 0.21 -1.61 -0.06 0.00 -0.71 0.00 0.00 33.22 31.05 1kee n MET 60 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kee s ALA 61 N -3.12 0.90 -0.15 3.04 0.00 -1.23 -4.68 121.76 116.53 1kee s ALA 61 Ca 0.07 -1.57 -0.10 0.00 0.00 0.00 0.00 51.96 50.37 1kee s ALA 61 Cb 0.15 1.24 -0.24 0.00 0.00 0.00 0.00 23.12 24.27 1kee s ALA 61 CO 0.72 -0.75 0.30 -0.25 0.00 0.00 0.00 175.76 175.78 1kee n ASP 62 N -1.14 2.06 -3.80 0.00 8.00 -0.67 -4.81 116.55 116.19 1kee n ASP 62 Ca 0.02 0.25 -0.29 0.00 0.71 0.00 0.00 54.79 55.47 1kee n ASP 62 Cb 0.62 -0.87 -0.16 0.00 -0.02 0.00 0.00 41.12 40.69 1kee n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kee s ALA 63 N -2.51 1.59 -0.19 2.24 0.00 -0.87 -4.89 121.76 117.12 1kee s ALA 63 Ca -0.25 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.27 1kee s ALA 63 Cb 0.07 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1kee s ALA 63 CO 0.72 -1.42 0.03 0.99 0.00 0.00 0.00 175.76 176.08 1kee s THR 64 N 1.58 4.30 -0.23 0.00 2.01 -1.26 -1.65 115.64 120.40 1kee s THR 64 Ca 0.03 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1kee s THR 64 Cb -0.18 -2.94 0.04 0.00 0.01 0.00 0.00 72.50 69.43 1kee s THR 64 CO -0.15 0.44 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.77 1kee s TYR 65 N 0.74 3.00 -1.06 4.92 2.02 0.23 -0.60 117.35 126.59 1kee s TYR 65 Ca 0.01 -2.01 -0.12 0.00 -0.37 0.00 0.00 57.07 54.58 1kee s TYR 65 Cb -0.14 -1.89 0.23 0.00 -0.40 0.00 0.00 41.96 39.76 1kee s TYR 65 CO 0.02 -0.84 1.13 0.42 -1.57 0.00 0.00 175.55 174.71 1kee s ILE 66 N 1.20 5.57 0.09 2.71 1.01 -1.26 -0.23 121.20 130.29 1kee s ILE 66 Ca -0.03 -2.87 0.01 0.00 0.00 0.00 0.00 60.65 57.76 1kee s ILE 66 Cb -0.17 -4.67 -0.04 0.00 0.01 0.00 0.00 42.46 37.58 1kee s ILE 66 CO -0.08 -1.29 -0.06 -1.61 0.00 0.00 0.00 174.94 171.89 1kee s GLU 67 N 0.09 0.78 0.29 2.79 0.41 -1.26 -4.59 118.70 117.21 1kee s GLU 67 Ca 0.31 -1.28 -0.30 0.00 -0.41 0.00 0.00 54.97 53.29 1kee s GLU 67 Cb -0.08 -0.14 -0.12 0.00 -1.78 0.00 0.00 34.13 32.01 1kee s GLU 67 CO -0.06 -0.03 1.58 -0.35 -0.49 0.00 0.00 175.26 175.91 1kee n PRO 68 N 0.07 2.64 -2.09 0.39 -0.04 -1.26 -3.19 135.00 131.51 1kee n PRO 68 Ca -0.13 0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 63.85 1kee n PRO 68 Cb 0.60 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 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 2.19 3.72 -5.12 0.52 5.41 -1.26 -4.59 119.36 120.23 1kee n ILE 69 Ca 0.09 -3.54 -0.30 0.00 1.00 0.00 0.00 62.75 60.00 1kee n ILE 69 Cb 0.36 -2.50 -0.17 0.00 -0.71 0.00 0.00 39.64 36.62 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 3.11 2.28 0.31 1.39 2.46 -1.26 -5.02 115.29 118.56 1kee s HIS 70 Ca 0.48 -0.78 0.08 0.00 0.47 0.00 0.00 55.06 55.31 1kee s HIS 70 Cb 0.10 -1.52 0.86 0.00 -0.13 0.00 0.00 32.58 31.90 1kee s HIS 70 CO -0.03 -0.28 1.69 0.11 -2.47 0.00 0.00 174.74 173.76 1kee h TRP 71 N 6.38 0.80 -0.17 3.88 5.08 -1.91 0.79 115.95 130.79 1kee h TRP 71 Ca -0.28 0.04 -0.08 0.00 1.08 0.00 0.00 58.89 59.66 1kee h TRP 71 Cb 1.20 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 27.15 1kee h TRP 71 CO 0.45 -0.07 -0.23 0.93 -1.28 0.00 0.00 178.44 178.24 1kee h GLU 72 N 0.41 0.31 -0.06 0.12 5.08 -1.96 0.69 114.58 119.18 1kee h GLU 72 Ca 0.63 -0.10 -0.20 0.00 -1.00 0.00 0.00 59.36 58.69 1kee h GLU 72 Cb 1.27 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1kee h GLU 72 CO -0.55 0.54 -0.73 0.28 -1.00 0.00 0.00 179.01 177.55 1kee h VAL 73 N 0.28 1.34 -0.31 3.13 2.07 -0.07 -2.47 116.25 120.23 1kee h VAL 73 Ca 0.05 -2.04 -0.04 0.00 0.82 0.00 0.00 66.70 65.49 1kee h VAL 73 Cb 0.57 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1kee h VAL 73 CO 0.04 0.62 0.01 0.58 0.02 0.00 0.00 177.57 178.84 1kee h VAL 74 N 0.22 1.18 -0.76 2.57 2.07 0.72 -1.30 116.25 120.94 1kee h VAL 74 Ca -0.08 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1kee h VAL 74 Cb 1.39 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1kee h VAL 74 CO 0.15 0.24 0.50 -0.09 0.02 0.00 0.00 177.57 178.38 1kee h ARG 75 N 0.45 0.97 -0.77 1.57 2.43 0.48 0.25 114.38 119.74 1kee h ARG 75 Ca 0.10 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1kee h ARG 75 Cb 0.28 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1kee h ARG 75 CO 0.01 0.64 0.41 0.87 -1.51 0.00 0.00 179.97 180.39 1kee h LYS 76 N 1.00 1.08 -0.62 0.20 1.79 -0.79 0.57 116.57 119.80 1kee h LYS 76 Ca 0.29 -0.13 -0.08 0.00 -2.18 0.00 0.00 60.65 58.55 1kee h LYS 76 Cb -0.07 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.35 1kee h LYS 76 CO -0.08 0.80 0.06 0.82 -1.08 0.00 0.00 179.45 179.97 1kee h ILE 77 N 1.09 1.26 -0.50 1.86 2.04 -0.42 -1.29 117.51 121.55 1kee h ILE 77 Ca 0.27 -1.06 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 1kee h ILE 77 Cb 0.05 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1kee h ILE 77 CO -0.04 0.39 -0.09 0.40 0.00 0.00 0.00 178.15 178.81 1kee h ILE 78 N 0.96 1.27 -0.44 -0.67 2.04 -0.42 0.23 117.51 120.48 1kee h ILE 78 Ca 0.18 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.84 1kee h ILE 78 Cb 0.47 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1kee h ILE 78 CO 0.02 0.43 0.26 -0.08 0.00 0.00 0.00 178.15 178.77 1kee h GLU 79 N 0.80 0.51 -0.14 2.37 4.81 -0.68 0.66 114.58 122.92 1kee h GLU 79 Ca 0.13 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1kee h GLU 79 Cb 0.64 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1kee h GLU 79 CO 0.04 0.34 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.29 1kee h LYS 80 N 0.52 0.34 0.00 1.92 3.64 -1.08 -3.33 116.57 118.58 1kee h LYS 80 Ca 0.18 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1kee h LYS 80 Cb 0.01 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1kee h LYS 80 CO -0.08 0.74 -1.43 0.39 -2.27 0.00 0.00 179.45 176.80 1kee n GLU 81 N -4.56 0.63 -3.44 1.90 -0.58 0.78 -5.01 120.64 110.36 1kee n GLU 81 Ca -0.06 0.10 -0.19 0.00 -0.42 0.00 0.00 57.16 56.59 1kee n GLU 81 Cb 0.36 -1.75 0.03 0.00 -0.57 0.00 0.00 31.44 29.52 1kee n GLU 81 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1kee n ARG 82 N -2.69 -1.49 -2.43 3.49 5.12 0.23 -4.93 116.66 113.95 1kee n ARG 82 Ca -0.07 0.87 -0.39 0.00 -1.93 0.00 0.00 57.85 56.34 1kee n ARG 82 Cb 0.71 -4.66 -0.04 0.00 -1.16 0.00 0.00 32.46 27.31 1kee n ARG 82 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1kee s PRO 83 N -4.69 4.36 0.13 5.56 0.04 -1.26 -4.93 135.00 134.21 1kee s PRO 83 Ca 0.27 1.76 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 1kee s PRO 83 Cb -0.08 -2.89 -0.09 0.00 0.04 0.00 0.00 34.50 31.48 1kee s PRO 83 CO 0.81 -0.03 1.32 -0.44 0.04 0.00 0.00 177.00 178.70 1kee h ASP 84 N 3.16 0.66 -5.54 6.66 3.45 -1.77 -3.41 116.42 119.64 1kee h ASP 84 Ca -0.48 -0.49 -0.22 0.00 0.43 0.00 0.00 57.03 56.28 1kee h ASP 84 Cb 1.22 -0.20 -0.15 0.00 -0.56 0.00 0.00 39.33 39.64 1kee h ASP 84 CO 0.65 1.28 -0.59 0.00 -1.57 0.00 0.00 179.24 179.00 1kee s ALA 85 N -3.44 1.01 -0.07 3.45 0.00 -1.07 0.78 121.76 122.42 1kee s ALA 85 Ca -0.07 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.30 1kee s ALA 85 Cb 0.09 1.28 0.02 0.00 0.00 0.00 0.00 23.12 24.51 1kee s ALA 85 CO 0.88 -0.59 -0.08 0.54 0.00 0.00 0.00 175.76 176.51 1kee s VAL 86 N -4.13 0.85 -0.37 0.00 0.11 0.33 -0.32 120.40 116.88 1kee s VAL 86 Ca 0.35 -0.28 -0.11 0.00 -2.93 0.00 0.00 61.98 59.01 1kee s VAL 86 Cb 0.07 -0.84 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 1kee s VAL 86 CO 0.10 0.31 0.21 -0.22 -3.33 0.00 0.00 175.10 172.17 1kee s LEU 87 N 1.04 4.66 -0.00 2.54 2.96 -0.23 -1.25 118.68 128.40 1kee s LEU 87 Ca -0.08 -0.89 0.16 0.00 -0.22 0.00 0.00 54.13 53.09 1kee s LEU 87 Cb -0.14 -2.04 0.45 0.00 0.50 0.00 0.00 46.19 44.95 1kee s LEU 87 CO -0.00 -0.36 1.37 -0.81 -1.32 0.00 0.00 176.35 175.23 1kee n PRO 88 N 5.02 2.83 0.00 0.98 -0.04 -1.26 -2.09 135.00 140.44 1kee n PRO 88 Ca -0.12 -2.31 0.12 0.00 -0.04 0.00 0.00 63.50 61.14 1kee n PRO 88 Cb 0.47 -1.40 0.15 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.96 0.00 -0.43 0.52 -2.24 -1.26 -3.54 114.28 108.29 1kee n THR 89 Ca 0.17 -0.20 0.10 0.00 -2.27 0.00 0.00 64.05 61.85 1kee n THR 89 Cb 0.52 0.89 0.30 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.33 3.04 -2.58 -0.78 2.81 -1.26 -2.04 117.12 115.98 1kee n MET 90 Ca 0.10 -2.62 -0.11 0.00 -1.81 0.00 0.00 57.70 53.26 1kee n MET 90 Cb 0.41 -1.61 0.03 0.00 -0.71 0.00 0.00 33.22 31.35 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 1.23 3.21 7.00 3.03 0.00 -1.20 -4.15 105.19 114.31 1kee n GLY 91 Ca 0.22 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.45 1.02 0.17 -0.02 0.00 -1.26 -1.26 105.19 103.39 1kee n GLY 92 Ca 0.19 -0.62 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 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 0.25 -0.45 1.61 5.75 -1.95 -2.98 115.11 117.34 1kee h GLN 93 Ca 0.00 -0.18 0.05 0.00 -0.15 0.00 0.00 58.65 58.37 1kee h GLN 93 Cb 0.00 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 1kee h GLN 93 CO 0.00 0.79 0.20 1.15 -2.65 0.00 0.00 178.83 178.32 1kee h THR 94 N 0.18 0.92 -0.47 2.39 2.02 -1.84 -1.17 112.91 114.94 1kee h THR 94 Ca -0.01 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1kee h THR 94 Cb 1.13 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1kee h THR 94 CO 0.10 0.07 0.07 0.00 0.37 0.00 0.00 175.52 176.13 1kee h ALA 95 N 1.26 0.63 -0.61 6.16 0.00 -1.10 -1.45 119.26 124.15 1kee h ALA 95 Ca 0.20 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1kee h ALA 95 Cb 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1kee h ALA 95 CO -0.17 0.36 0.16 -0.07 0.00 0.00 0.00 179.25 179.53 1kee h LEU 96 N 0.66 0.92 -0.77 0.00 3.38 -1.36 -1.36 115.31 116.78 1kee h LEU 96 Ca 0.14 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1kee h LEU 96 Cb 0.40 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1kee h LEU 96 CO 0.01 0.91 -0.41 0.78 0.09 0.00 0.00 178.44 179.82 1kee h ASN 97 N 0.89 0.47 -0.05 -0.43 2.35 -1.06 -2.22 115.58 115.52 1kee h ASN 97 Ca 0.19 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1kee h ASN 97 Cb 0.34 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1kee h ASN 97 CO 0.00 0.83 -0.01 0.00 -1.65 0.00 0.00 177.43 176.60 1kee h ALA 99 N 0.68 -0.33 -0.23 0.00 0.00 -1.20 0.77 119.26 118.95 1kee h ALA 99 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1kee h ALA 99 Cb 0.38 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1kee h ALA 99 CO 0.00 -0.78 0.15 -0.07 0.00 0.00 0.00 179.25 178.55 1kee h LEU 100 N -0.36 0.26 -0.12 0.00 4.07 -1.32 0.13 115.31 117.98 1kee h LEU 100 Ca 0.11 -0.01 -0.24 0.00 0.08 0.00 0.00 57.88 57.83 1kee h LEU 100 Cb 0.54 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 42.23 1kee h LEU 100 CO -0.39 0.19 -0.87 -0.08 -1.08 0.00 0.00 178.44 176.21 1kee h GLU 101 N 0.31 0.75 -0.38 1.13 4.57 -0.06 -0.67 114.58 120.22 1kee h GLU 101 Ca 0.08 -0.67 -0.02 0.00 -1.18 0.00 0.00 59.36 57.57 1kee h GLU 101 Cb -0.03 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1kee h GLU 101 CO -0.02 1.27 0.16 -0.07 -1.18 0.00 0.00 179.01 179.18 1kee h LEU 102 N 0.48 0.47 0.37 1.64 3.38 -0.10 0.21 115.31 121.77 1kee h LEU 102 Ca -0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1kee h LEU 102 Cb 1.51 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1kee h LEU 102 CO 0.17 0.43 -0.18 -0.08 0.09 0.00 0.00 178.44 178.87 1kee h GLU 103 N 0.53 -0.48 -0.70 1.13 4.57 -0.82 -0.07 114.58 118.74 1kee h GLU 103 Ca 0.13 0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.50 1kee h GLU 103 Cb 0.09 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 1kee h GLU 103 CO -0.02 -0.18 0.48 -0.09 -1.18 0.00 0.00 179.01 178.02 1kee h ARG 104 N -0.98 0.27 -0.00 1.92 2.43 -0.72 0.67 114.38 117.98 1kee h ARG 104 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1kee h ARG 104 Cb 0.53 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1kee h ARG 104 CO 0.08 0.18 -0.11 1.04 -1.51 0.00 0.00 179.97 179.66 1kee n GLN 105 N -4.44 0.53 -0.87 0.20 1.13 0.69 -4.90 117.38 109.72 1kee n GLN 105 Ca 0.13 -0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1kee n GLN 105 Cb 0.58 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.43 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 1.32 0.53 0.32 1.08 0.00 0.23 -4.93 105.19 103.73 1kee n GLY 106 Ca 0.13 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.18 1.61 2.07 -1.19 0.23 116.25 120.04 1kee h VAL 107 Ca 0.00 -0.88 -0.12 0.00 0.82 0.00 0.00 66.70 66.52 1kee h VAL 107 Cb 0.00 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1kee h VAL 107 CO 0.00 0.34 -0.39 -0.07 0.02 0.00 0.00 177.57 177.47 1kee h LEU 108 N 0.99 0.42 0.04 2.57 3.38 -1.81 -1.78 115.31 119.12 1kee h LEU 108 Ca 0.22 -0.18 -0.27 0.00 0.09 0.00 0.00 57.88 57.73 1kee h LEU 108 Cb 0.31 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 40.97 1kee h LEU 108 CO -0.00 0.77 -1.09 -0.08 0.09 0.00 0.00 178.44 178.12 1kee h GLU 109 N 0.33 0.67 -0.85 1.13 4.81 -1.80 0.38 114.58 119.26 1kee h GLU 109 Ca 0.03 -0.77 0.10 0.00 -0.13 0.00 0.00 59.36 58.59 1kee h GLU 109 Cb 0.84 0.23 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 1kee h GLU 109 CO 0.07 1.34 0.49 1.49 -0.73 0.00 0.00 179.01 181.67 1kee h GLU 110 N 0.33 0.80 -0.56 1.92 4.81 -0.27 -2.55 114.58 119.05 1kee h GLU 110 Ca -0.15 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1kee h GLU 110 Cb 1.76 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.96 1kee h GLU 110 CO 0.21 0.53 0.00 1.19 -0.73 0.00 0.00 179.01 180.21 1kee n PHE 111 N -4.72 0.94 -3.76 0.92 3.01 -0.69 -4.96 117.46 108.19 1kee n PHE 111 Ca 0.14 -0.55 -0.25 0.00 1.01 0.00 0.00 57.45 57.80 1kee n PHE 111 Cb 0.29 -0.09 0.04 0.00 -0.01 0.00 0.00 39.48 39.71 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 1.01 -0.41 3.60 1.37 0.00 -0.48 -4.88 105.19 105.40 1kee n GLY 112 Ca 0.21 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.45 5.04 -0.03 1.61 1.01 0.00 -4.82 120.40 119.76 1kee s VAL 113 Ca 0.35 0.70 -0.26 0.00 0.00 0.00 0.00 61.98 62.77 1kee s VAL 113 Cb -0.17 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1kee s VAL 113 CO 0.81 -0.04 0.83 -0.89 0.00 0.00 0.00 175.10 175.80 1kee s THR 114 N 2.38 4.94 -0.50 3.92 2.01 0.23 -4.79 115.64 123.83 1kee s THR 114 Ca 0.21 1.73 -0.25 0.00 0.31 0.00 0.00 61.69 63.68 1kee s THR 114 Cb -0.15 -4.17 0.03 0.00 0.01 0.00 0.00 72.50 68.22 1kee s THR 114 CO 0.11 0.22 0.95 -0.32 -0.69 0.00 0.00 174.62 174.89 1kee s MET 115 N 0.81 3.47 0.43 4.92 1.75 -1.26 0.12 119.30 129.54 1kee s MET 115 Ca 0.44 0.04 0.07 0.00 -1.25 0.00 0.00 55.69 54.99 1kee s MET 115 Cb -0.19 -3.97 -0.02 0.00 2.84 0.00 0.00 34.83 33.49 1kee s MET 115 CO 0.23 -1.33 0.38 0.96 -0.65 0.00 0.00 175.02 174.60 1kee s ILE 116 N 3.90 2.53 0.00 10.11 -4.36 -0.38 -4.59 121.20 128.41 1kee s ILE 116 Ca 0.35 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 1kee s ILE 116 Cb -0.11 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.70 1kee s ILE 116 CO 0.24 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.03 1kee n GLY 117 N -1.56 1.78 3.61 6.27 0.00 -1.26 -4.26 105.19 109.77 1kee n GLY 117 Ca 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.81 0.51 4.61 0.00 -1.26 -3.99 121.76 119.81 1kee s ALA 118 Ca 0.00 2.32 -0.21 0.00 0.00 0.00 0.00 51.96 54.08 1kee s ALA 118 Cb 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 23.12 21.68 1kee s ALA 118 CO 0.00 -0.37 1.11 0.95 0.00 0.00 0.00 175.76 177.45 1kee s THR 119 N 1.48 3.32 0.53 0.00 -4.23 -1.26 -4.85 115.64 110.64 1kee s THR 119 Ca -0.09 0.87 0.20 0.00 -1.18 0.00 0.00 61.69 61.49 1kee s THR 119 Cb -0.05 -3.38 0.31 0.00 1.34 0.00 0.00 72.50 70.72 1kee s THR 119 CO -0.17 -0.13 2.12 0.00 -0.54 0.00 0.00 174.62 175.89 1kee h ALA 120 N 1.53 2.08 -0.05 3.99 0.00 -1.99 0.18 119.26 125.00 1kee h ALA 120 Ca -0.50 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 1kee h ALA 120 Cb 1.25 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1kee h ALA 120 CO 0.58 -0.18 -0.88 0.22 0.00 0.00 0.00 179.25 178.99 1kee h ASP 121 N 0.00 0.71 -0.53 0.00 1.82 -1.96 -1.97 116.42 114.49 1kee h ASP 121 Ca 0.07 -0.52 -0.03 0.00 -0.39 0.00 0.00 57.03 56.16 1kee h ASP 121 Cb 0.28 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 1kee h ASP 121 CO -0.00 1.31 0.23 0.00 -1.61 0.00 0.00 179.24 179.16 1kee h ALA 122 N 0.66 0.69 -0.56 -0.78 0.00 -1.03 0.37 119.26 118.61 1kee h ALA 122 Ca -0.08 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1kee h ALA 122 Cb 1.51 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1kee h ALA 122 CO 0.16 0.29 0.35 0.82 0.00 0.00 0.00 179.25 180.87 1kee h ILE 123 N 0.72 1.09 -0.06 0.00 2.04 -0.73 -2.26 117.51 118.31 1kee h ILE 123 Ca 0.18 -0.24 -0.14 0.00 1.00 0.00 0.00 64.86 65.66 1kee h ILE 123 Cb 0.17 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1kee h ILE 123 CO -0.02 0.13 -0.60 -0.78 0.00 0.00 0.00 178.15 176.88 1kee h ASP 124 N 0.70 0.22 -0.24 1.72 1.82 -0.96 0.13 116.42 119.81 1kee h ASP 124 Ca 0.22 -0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 1kee h ASP 124 Cb -0.02 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 39.91 1kee h ASP 124 CO -0.08 0.77 0.09 0.50 -1.61 0.00 0.00 179.24 178.91 1kee h LYS 125 N 0.15 0.43 0.08 0.28 3.64 0.29 0.22 116.57 121.66 1kee h LYS 125 Ca -0.01 -0.06 -0.35 0.00 -1.27 0.00 0.00 60.65 58.97 1kee h LYS 125 Cb 1.09 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1kee h LYS 125 CO 0.09 0.39 -1.98 0.00 -2.27 0.00 0.00 179.45 175.68 1kee n ALA 126 N -2.48 1.10 0.01 5.00 0.00 -0.93 -2.58 120.51 120.62 1kee n ALA 126 Ca 0.01 -0.70 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 1kee n ALA 126 Cb 0.16 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 18.96 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 0.05 0.59 -6.42 0.00 4.39 -0.66 -3.40 114.58 109.12 1kee h GLU 127 Ca -0.41 -0.43 -0.55 0.00 0.34 0.00 0.00 59.36 58.31 1kee h GLU 127 Cb 2.03 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 30.69 1kee h GLU 127 CO 0.07 1.05 1.10 0.34 -1.16 0.00 0.00 179.01 180.41 1kee s ASP 128 N -6.98 6.14 0.49 1.42 -1.08 0.77 -2.80 116.67 114.62 1kee s ASP 128 Ca -0.08 0.38 0.23 0.00 -0.52 0.00 0.00 52.55 52.56 1kee s ASP 128 Cb 0.10 -2.54 1.28 0.00 -1.46 0.00 0.00 42.92 40.29 1kee s ASP 128 CO 0.86 -1.68 1.94 0.03 0.52 0.00 0.00 175.17 176.84 1kee h ARG 129 N 11.11 0.16 0.51 4.34 2.47 -1.87 -1.06 114.38 130.05 1kee h ARG 129 Ca -0.27 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.42 1kee h ARG 129 Cb 1.10 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 29.38 1kee h ARG 129 CO 1.16 0.11 -0.25 -0.09 0.56 0.00 0.00 179.97 181.47 1kee h ARG 130 N 0.17 -0.66 -0.78 0.04 2.43 -1.93 -2.72 114.38 110.93 1kee h ARG 130 Ca 0.34 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.64 1kee h ARG 130 Cb 1.11 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.74 1kee h ARG 130 CO -0.06 -0.36 0.44 0.00 -1.51 0.00 0.00 179.97 178.49 1kee h ARG 131 N -0.99 0.74 -0.09 0.20 3.08 -1.72 -2.50 114.38 113.09 1kee h ARG 131 Ca -0.07 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1kee h ARG 131 Cb 0.61 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1kee h ARG 131 CO 0.12 0.49 -0.00 0.35 -1.07 0.00 0.00 179.97 179.85 1kee h PHE 132 N 0.76 -0.01 -0.12 3.04 3.57 -0.94 0.11 116.94 123.36 1kee h PHE 132 Ca 0.37 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.91 1kee h PHE 132 Cb 0.30 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1kee h PHE 132 CO -0.07 -0.01 0.09 0.22 -2.23 0.00 0.00 178.31 176.31 1kee h ASP 133 N 0.03 0.00 0.06 0.41 1.82 -1.14 -0.15 116.42 117.45 1kee h ASP 133 Ca 0.04 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.40 1kee h ASP 133 Cb 0.05 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.09 1kee h ASP 133 CO -0.07 0.00 -1.13 0.58 -1.61 0.00 0.00 179.24 177.01 1kee h VAL 134 N 0.00 1.29 -0.54 2.25 2.07 -0.89 -2.72 116.25 117.70 1kee h VAL 134 Ca 0.06 -2.34 -0.03 0.00 0.82 0.00 0.00 66.70 65.20 1kee h VAL 134 Cb 0.24 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 1kee h VAL 134 CO -0.00 0.72 0.20 0.00 0.02 0.00 0.00 177.57 178.50 1kee h ALA 135 N 0.34 1.33 -0.71 1.67 0.00 0.54 -1.20 119.26 121.22 1kee h ALA 135 Ca -0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1kee h ALA 135 Cb 1.79 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1kee h ALA 135 CO 0.22 0.49 0.27 0.52 0.00 0.00 0.00 179.25 180.76 1kee h MET 136 N 0.78 1.05 -0.51 0.00 2.07 -1.06 -1.51 114.93 115.75 1kee h MET 136 Ca 0.18 -0.19 -0.10 0.00 -2.07 0.00 0.00 59.70 57.53 1kee h MET 136 Cb 0.19 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.72 1kee h MET 136 CO -0.01 0.86 -0.08 -0.22 1.07 0.00 0.00 176.91 178.53 1kee h LYS 137 N 1.03 0.93 -0.57 1.72 3.64 -1.03 -0.40 116.57 121.90 1kee h LYS 137 Ca 0.24 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1kee h LYS 137 Cb 0.21 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1kee h LYS 137 CO -0.02 0.97 0.36 -0.22 -2.27 0.00 0.00 179.45 178.27 1kee h LYS 138 N 0.84 0.76 -0.00 1.90 3.64 -0.44 -2.69 116.57 120.57 1kee h LYS 138 Ca 0.14 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1kee h LYS 138 Cb 0.60 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1kee h LYS 138 CO 0.04 0.53 -0.07 0.44 -2.27 0.00 0.00 179.45 178.12 1kee n ILE 139 N -4.66 0.00 -0.56 2.00 -5.35 -0.64 -4.93 119.36 105.22 1kee n ILE 139 Ca 0.04 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1kee n ILE 139 Cb 0.04 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 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 1.36 0.68 3.89 3.28 0.00 -0.80 -5.06 105.19 108.54 1kee n GLY 140 Ca 0.12 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 4.31 -0.15 0.99 1.43 -0.22 -5.02 118.68 120.01 1kee s LEU 141 Ca 0.00 0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 53.53 1kee s LEU 141 Cb 0.00 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 1kee s LEU 141 CO 0.00 0.12 0.29 -0.70 0.23 0.00 0.00 176.35 176.29 1kee s GLU 142 N -2.39 4.18 0.29 1.70 2.12 -1.26 -4.19 118.70 119.14 1kee s GLU 142 Ca 0.37 0.11 0.10 0.00 0.36 0.00 0.00 54.97 55.91 1kee s GLU 142 Cb -0.13 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 1kee s GLU 142 CO 0.23 0.30 -0.08 0.95 -0.54 0.00 0.00 175.26 176.12 1kee s THR 143 N 0.27 2.90 0.88 -1.70 -4.23 -1.26 -0.64 115.64 111.85 1kee s THR 143 Ca 0.17 -2.12 -0.12 0.00 -1.18 0.00 0.00 61.69 58.44 1kee s THR 143 Cb -0.13 -2.62 0.12 0.00 1.34 0.00 0.00 72.50 71.21 1kee s THR 143 CO 0.05 -0.35 1.10 0.00 -0.54 0.00 0.00 174.62 174.87 1kee s ALA 144 N -2.44 1.71 0.00 3.99 0.00 -1.26 -4.95 121.76 118.82 1kee s ALA 144 Ca 0.31 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 1kee s ALA 144 Cb -0.05 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 1kee s ALA 144 CO 0.18 -2.22 1.51 0.50 0.00 0.00 0.00 175.76 175.73 1kee s ARG 145 N -5.03 4.24 0.36 0.00 3.52 -1.26 -4.87 118.95 115.91 1kee s ARG 145 Ca 0.63 2.10 -0.02 0.00 -0.13 0.00 0.00 55.73 58.31 1kee s ARG 145 Cb -0.17 -3.66 0.01 0.00 -1.56 0.00 0.00 34.95 29.57 1kee s ARG 145 CO 0.56 -0.67 0.50 -1.13 -0.81 0.00 0.00 175.30 173.75 1kee n SER 146 N 5.78 -1.40 -3.71 -2.12 3.41 -1.26 0.54 113.62 114.86 1kee n SER 146 Ca 0.15 -2.97 -0.13 0.00 -0.26 0.00 0.00 58.87 55.66 1kee n SER 146 Cb 0.43 2.62 -0.10 0.00 -0.26 0.00 0.00 64.21 66.89 1kee n SER 146 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1kee s GLY 147 N -3.25 -0.35 0.61 5.00 0.00 0.72 -4.97 107.32 105.09 1kee s GLY 147 Ca 0.30 1.36 -0.15 0.00 0.00 0.00 0.00 44.72 46.24 1kee s GLY 147 CO 0.22 1.25 1.05 -0.42 0.00 0.00 0.00 173.10 175.20 1kee s ILE 148 N 0.49 3.90 -0.19 0.90 -1.09 -1.26 -1.32 121.20 122.62 1kee s ILE 148 Ca -0.02 0.85 -0.11 0.00 -2.23 0.00 0.00 60.65 59.14 1kee s ILE 148 Cb -0.04 -3.41 0.06 0.00 -1.58 0.00 0.00 42.46 37.49 1kee s ILE 148 CO -0.02 -0.58 0.47 0.00 -1.23 0.00 0.00 174.94 173.57 1kee s ALA 149 N -2.57 -1.22 -0.20 9.38 0.00 -0.62 -4.72 121.76 121.81 1kee s ALA 149 Ca 0.62 1.71 0.03 0.00 0.00 0.00 0.00 51.96 54.32 1kee s ALA 149 Cb -0.15 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1kee s ALA 149 CO 0.40 -0.29 0.21 0.72 0.00 0.00 0.00 175.76 176.80 1kee n HIS 150 N 4.24 0.00 -4.02 0.00 8.25 -1.26 -0.49 115.22 121.94 1kee n HIS 150 Ca -0.22 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.14 1kee n HIS 150 Cb 0.56 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.59 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 -1.16 0.08 0.28 1.59 -4.23 -1.26 -4.91 115.64 106.04 1kee s THR 151 Ca 0.02 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 58.99 1kee s THR 151 Cb 0.03 -1.88 0.06 0.00 1.34 0.00 0.00 72.50 72.04 1kee s THR 151 CO 0.12 -0.38 1.72 -0.03 -0.54 0.00 0.00 174.62 175.50 1kee h MET 152 N 2.67 0.44 0.12 3.99 4.05 -1.96 0.28 114.93 124.53 1kee h MET 152 Ca -0.33 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1kee h MET 152 Cb 1.22 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.98 1kee h MET 152 CO 0.53 0.69 -0.15 1.05 0.23 0.00 0.00 176.91 179.25 1kee h GLU 153 N 0.39 -0.27 -0.71 0.39 4.11 -2.00 -1.16 114.58 115.33 1kee h GLU 153 Ca 0.05 0.02 0.16 0.00 0.07 0.00 0.00 59.36 59.66 1kee h GLU 153 Cb 0.70 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.89 1kee h GLU 153 CO 0.05 -0.18 0.07 0.93 0.07 0.00 0.00 179.01 179.96 1kee h GLU 154 N -0.28 0.17 -0.50 1.06 5.08 -1.92 -1.95 114.58 116.24 1kee h GLU 154 Ca -0.01 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1kee h GLU 154 Cb 0.25 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1kee h GLU 154 CO -0.03 0.11 0.31 0.00 -1.00 0.00 0.00 179.01 178.39 1kee h ALA 155 N 1.63 0.64 -0.12 3.43 0.00 -0.73 -2.36 119.26 121.75 1kee h ALA 155 Ca 0.39 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.29 1kee h ALA 155 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1kee h ALA 155 CO -0.56 0.02 0.08 -0.07 0.00 0.00 0.00 179.25 178.72 1kee h LEU 156 N 0.62 0.12 -0.23 0.00 3.38 -0.42 -1.65 115.31 117.13 1kee h LEU 156 Ca 0.19 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.95 1kee h LEU 156 Cb -0.01 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.71 1kee h LEU 156 CO -0.07 0.09 -0.70 0.00 0.09 0.00 0.00 178.44 177.84 1kee h ALA 157 N 1.93 0.39 -0.76 1.53 0.00 -1.23 -1.41 119.26 119.70 1kee h ALA 157 Ca 0.05 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1kee h ALA 157 Cb 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1kee h ALA 157 CO -0.01 0.69 0.31 0.28 0.00 0.00 0.00 179.25 180.52 1kee h VAL 158 N 0.56 1.26 -0.59 0.00 2.07 -1.02 -2.10 116.25 116.43 1kee h VAL 158 Ca -0.03 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 1kee h VAL 158 Cb 1.32 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1kee h VAL 158 CO 0.15 0.33 -0.02 0.00 0.02 0.00 0.00 177.57 178.05 1kee h ALA 159 N 1.16 0.86 -0.07 1.67 0.00 -1.30 -1.18 119.26 120.40 1kee h ALA 159 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1kee h ALA 159 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1kee h ALA 159 CO -0.02 0.66 -0.00 0.00 0.00 0.00 0.00 179.25 179.89 1kee h ALA 160 N 1.03 1.87 0.36 0.00 0.00 -0.85 -1.14 119.26 120.53 1kee h ALA 160 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1kee h ALA 160 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1kee h ALA 160 CO 0.03 0.10 -0.17 0.22 0.00 0.00 0.00 179.25 179.43 1kee h ASP 161 N 0.09 -0.41 0.90 0.00 -0.00 -0.61 -3.38 116.42 113.03 1kee h ASP 161 Ca 0.02 0.01 -0.15 0.00 -0.00 0.00 0.00 57.03 56.92 1kee h ASP 161 Cb 0.07 0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.49 1kee h ASP 161 CO 0.00 0.03 -0.72 -0.37 -0.00 0.00 0.00 179.24 178.18 1kee h VAL 162 N -1.13 1.41 0.00 2.25 -1.51 -1.26 -3.50 116.25 112.51 1kee h VAL 162 Ca -0.05 -2.57 0.00 0.00 -1.23 0.00 0.00 66.70 62.85 1kee h VAL 162 Cb 0.37 2.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 1kee h VAL 162 CO 0.08 0.71 0.00 0.61 -1.23 0.00 0.00 177.57 177.74 1kee n GLY 163 N 0.80 -1.28 3.86 5.19 0.00 -0.44 -4.83 105.19 108.50 1kee n GLY 163 Ca -0.00 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.37 3.63 0.60 1.61 2.99 -1.26 -3.70 117.98 119.48 1kee s PHE 164 Ca 0.00 0.79 -0.07 0.00 0.00 0.00 0.00 56.93 57.64 1kee s PHE 164 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 43.02 40.87 1kee s PHE 164 CO 0.00 0.60 0.94 -1.25 -0.00 0.00 0.00 175.22 175.51 1kee s PRO 165 N -1.53 3.04 0.06 0.24 0.04 -1.26 -5.03 135.00 130.55 1kee s PRO 165 Ca 0.27 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1kee s PRO 165 Cb -0.14 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1kee s PRO 165 CO 0.15 -0.70 -0.04 0.00 0.04 0.00 0.00 177.00 176.44 1kee s ILE 167 N -3.49 4.65 -0.15 0.00 1.09 0.05 -0.10 121.20 123.24 1kee s ILE 167 Ca 0.06 -0.11 -0.01 0.00 -1.10 0.00 0.00 60.65 59.49 1kee s ILE 167 Cb 0.05 -3.01 -0.01 0.00 -1.06 0.00 0.00 42.46 38.43 1kee s ILE 167 CO -0.07 0.57 -0.12 -0.63 -0.10 0.00 0.00 174.94 174.59 1kee s ILE 168 N -0.56 3.05 -0.25 2.92 1.01 -0.72 -0.05 121.20 126.60 1kee s ILE 168 Ca 0.10 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1kee s ILE 168 Cb -0.12 -2.31 0.08 0.00 0.01 0.00 0.00 42.46 40.13 1kee s ILE 168 CO 0.02 0.50 0.08 -0.13 0.00 0.00 0.00 174.94 175.41 1kee s ARG 169 N 0.68 0.52 0.88 2.79 0.52 0.30 -2.27 118.95 122.37 1kee s ARG 169 Ca -0.06 -0.60 -0.11 0.00 -0.52 0.00 0.00 55.73 54.44 1kee s ARG 169 Cb -0.15 -1.85 0.12 0.00 0.52 0.00 0.00 34.95 33.59 1kee s ARG 169 CO 0.02 -0.82 1.10 -2.14 0.02 0.00 0.00 175.30 173.48 1kee s PRO 170 N 1.87 1.33 -0.03 3.54 0.02 -1.26 -0.47 135.00 139.99 1kee s PRO 170 Ca 0.04 1.19 -0.13 0.00 0.02 0.00 0.00 61.00 62.12 1kee s PRO 170 Cb -0.17 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 1kee s PRO 170 CO -0.19 -2.30 0.36 -1.12 -0.33 0.00 0.00 177.00 173.42 1kee s SER 171 N -3.08 6.71 -0.06 2.53 0.01 0.10 -4.15 113.70 115.77 1kee s SER 171 Ca 0.64 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.75 1kee s SER 171 Cb -0.20 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1kee s SER 171 CO 0.58 0.32 0.00 0.49 0.41 0.00 0.00 173.24 175.04 1kee n PHE 172 N 1.98 -0.01 -4.19 2.43 3.01 -1.12 -3.94 117.46 115.61 1kee n PHE 172 Ca -0.15 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.16 1kee n PHE 172 Cb 0.53 -0.75 -0.11 0.00 -0.01 0.00 0.00 39.48 39.14 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 -2.02 1.03 0.28 4.37 -4.23 -1.26 -4.59 115.64 109.21 1kee s THR 173 Ca 0.00 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1kee s THR 173 Cb 0.00 -1.42 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 1kee s THR 173 CO 0.00 -0.54 0.21 0.00 -0.54 0.00 0.00 174.62 173.75 1kee s MET 174 N -2.83 1.52 -0.89 3.99 0.23 -1.26 -4.81 119.30 115.26 1kee s MET 174 Ca 0.07 -1.85 0.00 0.00 -1.03 0.00 0.00 55.69 52.87 1kee s MET 174 Cb -0.03 0.28 0.00 0.00 -1.53 0.00 0.00 34.83 33.55 1kee s MET 174 CO 0.01 -0.53 0.00 0.41 -2.03 0.00 0.00 175.02 172.87 1kee n GLY 175 N -0.48 0.90 2.36 3.16 0.00 -1.26 -1.17 105.19 108.70 1kee n GLY 175 Ca 0.05 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.51 0.72 3.66 -0.02 0.00 -1.26 -1.39 105.19 106.38 1kee n GLY 176 Ca -0.08 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.61 6.55 0.00 1.61 0.01 -0.32 -1.80 113.70 117.14 1kee s SER 177 Ca 0.00 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.74 1kee s SER 177 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1kee s SER 177 CO 0.00 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.26 1kee n GLY 178 N 4.35 1.50 0.70 3.44 0.00 -1.26 -4.65 105.19 109.26 1kee n GLY 178 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 1.60 0.00 -0.02 0.00 -0.74 -3.11 105.19 100.92 1kee n GLY 179 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 3.71 1.22 3.57 -0.02 0.00 -0.96 -4.59 105.19 108.12 1kee n GLY 180 Ca 0.03 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.00 4.94 -0.39 -0.61 1.01 -1.26 -1.76 121.20 121.13 1kee s ILE 181 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.51 1kee s ILE 181 Cb 0.00 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.17 1kee s ILE 181 CO 0.00 0.33 0.48 0.00 0.00 0.00 0.00 174.94 175.76 1kee s ALA 182 N 1.31 3.44 -0.23 9.38 0.00 0.85 -4.90 121.76 131.61 1kee s ALA 182 Ca 0.06 -1.27 0.22 0.00 0.00 0.00 0.00 51.96 50.97 1kee s ALA 182 Cb -0.15 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1kee s ALA 182 CO 0.06 -1.44 1.04 1.88 0.00 0.00 0.00 175.76 177.30 1kee h TYR 183 N 8.64 0.00 -3.60 0.00 0.05 -1.94 -2.03 116.97 118.08 1kee h TYR 183 Ca -0.27 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.46 1kee h TYR 183 Cb 1.12 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.77 1kee h TYR 183 CO 0.68 0.08 -0.10 0.54 -1.05 0.00 0.00 178.16 178.31 1kee s ASN 184 N -5.45 -0.11 0.38 3.88 2.20 -1.26 -4.76 114.94 109.81 1kee s ASN 184 Ca -0.01 -0.88 0.04 0.00 -0.94 0.00 0.00 52.86 51.08 1kee s ASN 184 Cb 0.09 0.59 0.73 0.00 -2.00 0.00 0.00 41.25 40.66 1kee s ASN 184 CO 0.79 -1.14 2.03 -0.09 -2.94 0.00 0.00 177.10 175.75 1kee h ARG 185 N 2.25 0.71 0.66 3.55 2.43 -1.97 0.36 114.38 122.37 1kee h ARG 185 Ca -0.26 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 1kee h ARG 185 Cb 1.25 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1kee h ARG 185 CO 0.35 0.47 -0.32 1.49 -1.51 0.00 0.00 179.97 180.46 1kee h GLU 186 N 0.73 -0.85 -0.61 0.20 4.81 -1.99 0.16 114.58 117.03 1kee h GLU 186 Ca 0.20 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1kee h GLU 186 Cb -0.08 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 1kee h GLU 186 CO -0.04 -0.54 0.31 0.93 -0.73 0.00 0.00 179.01 178.94 1kee h GLU 187 N -0.98 0.56 -0.38 1.92 5.08 -1.92 -2.38 114.58 116.47 1kee h GLU 187 Ca -0.09 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1kee h GLU 187 Cb 0.71 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1kee h GLU 187 CO 0.15 0.37 -0.01 0.35 -1.00 0.00 0.00 179.01 178.86 1kee h PHE 188 N 0.58 -0.05 -0.02 4.33 3.04 -0.03 -1.17 116.94 123.61 1kee h PHE 188 Ca 0.28 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.26 1kee h PHE 188 Cb 0.21 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.80 1kee h PHE 188 CO -0.10 -0.09 0.01 0.93 -2.02 0.00 0.00 178.31 177.04 1kee h GLU 189 N 0.09 0.02 -0.39 1.11 5.08 -0.24 -1.48 114.58 118.77 1kee h GLU 189 Ca 0.19 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 1kee h GLU 189 Cb 0.27 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 1kee h GLU 189 CO -0.32 0.03 -0.47 1.49 -1.00 0.00 0.00 179.01 178.74 1kee h GLU 190 N 0.01 -0.34 0.32 2.33 4.81 -1.13 -0.31 114.58 120.27 1kee h GLU 190 Ca 0.01 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1kee h GLU 190 Cb 0.01 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1kee h GLU 190 CO -0.00 -0.23 -0.15 0.82 -0.73 0.00 0.00 179.01 178.72 1kee h ILE 191 N -0.36 0.70 -0.63 2.32 2.04 -1.20 -2.42 117.51 117.97 1kee h ILE 191 Ca 0.12 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1kee h ILE 191 Cb 0.59 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1kee h ILE 191 CO -0.57 0.02 0.36 0.00 0.00 0.00 0.00 178.15 177.96 1kee h ALA 193 N 1.31 0.13 0.09 0.00 0.00 -1.07 -0.62 119.26 119.10 1kee h ALA 193 Ca 0.27 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1kee h ALA 193 Cb 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1kee h ALA 193 CO -0.15 -0.33 -0.21 -0.09 0.00 0.00 0.00 179.25 178.47 1kee h ARG 194 N 0.07 -0.37 -0.55 0.00 2.43 -0.94 -2.56 114.38 112.45 1kee h ARG 194 Ca 0.04 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1kee h ARG 194 Cb 0.08 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1kee h ARG 194 CO -0.01 -0.25 0.24 0.78 -1.51 0.00 0.00 179.97 179.23 1kee h GLY 195 N -0.39 0.84 0.85 2.80 0.00 -0.39 -1.67 103.07 105.12 1kee h GLY 195 Ca 0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1kee h GLY 195 CO -0.13 0.39 -0.09 1.41 0.00 0.00 0.00 176.54 178.12 1kee h LEU 196 N 0.78 0.51 -0.44 3.11 3.38 -1.00 -1.14 115.31 120.51 1kee h LEU 196 Ca 0.19 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1kee h LEU 196 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1kee h LEU 196 CO -0.02 0.78 0.14 -0.78 0.09 0.00 0.00 178.44 178.65 1kee h ASP 197 N 0.24 0.64 -0.55 -0.43 3.58 -1.35 -3.18 116.42 115.37 1kee h ASP 197 Ca 0.06 -0.20 -0.12 0.00 0.42 0.00 0.00 57.03 57.19 1kee h ASP 197 Cb 0.57 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1kee h ASP 197 CO 0.03 0.67 -0.11 0.25 -2.88 0.00 0.00 179.24 177.20 1kee h LEU 198 N 0.57 1.05 -9.45 2.28 5.85 -1.31 -3.44 115.31 110.86 1kee h LEU 198 Ca 0.14 -0.35 -0.55 0.00 0.84 0.00 0.00 57.88 57.96 1kee h LEU 198 Cb 0.25 -0.29 0.04 0.00 0.37 0.00 0.00 40.66 41.03 1kee h LEU 198 CO -0.01 1.16 1.08 -0.24 -0.34 0.00 0.00 178.44 180.09 1kee n SER 199 N -4.14 3.83 -0.06 1.25 2.88 -0.43 -4.87 113.62 112.07 1kee n SER 199 Ca 0.02 0.99 0.03 0.00 -1.33 0.00 0.00 58.87 58.57 1kee n SER 199 Cb 0.41 -1.50 0.37 0.00 -0.75 0.00 0.00 64.21 62.73 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 8.56 0.67 -0.01 -1.46 0.11 -1.81 -0.53 132.00 137.53 1kee h PRO 200 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1kee h PRO 200 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1kee h PRO 200 CO 0.94 0.46 -0.30 0.25 -0.21 0.00 0.00 178.00 179.13 1kee n THR 201 N -4.45 0.00 -3.53 -1.15 -2.24 -1.26 -4.97 114.28 96.68 1kee n THR 201 Ca 0.05 -0.10 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 1kee n THR 201 Cb 0.06 0.34 0.08 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.84 -7.45 -4.02 -0.78 4.81 -0.21 -5.00 118.16 104.66 1kee n LYS 202 Ca 0.11 0.83 -0.15 0.00 -0.87 0.00 0.00 58.31 58.23 1kee n LYS 202 Cb 0.34 -5.85 -0.15 0.00 0.02 0.00 0.00 35.03 29.39 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 -5.96 0.27 0.23 1.64 2.12 -1.26 -4.55 118.70 111.18 1kee s GLU 203 Ca 0.38 -0.08 0.11 0.00 0.36 0.00 0.00 54.97 55.74 1kee s GLU 203 Cb -0.17 -0.29 -0.05 0.00 0.26 0.00 0.00 34.13 33.89 1kee s GLU 203 CO 0.72 0.03 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.76 1kee s LEU 204 N 0.13 2.53 -0.17 2.70 1.43 0.36 0.01 118.68 125.67 1kee s LEU 204 Ca -0.01 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 1kee s LEU 204 Cb -0.04 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.21 1kee s LEU 204 CO -0.00 0.02 -0.08 -0.22 0.23 0.00 0.00 176.35 176.29 1kee s LEU 205 N -3.16 1.77 -0.31 1.79 2.96 0.37 -1.58 118.68 120.52 1kee s LEU 205 Ca 0.25 -0.66 -0.10 0.00 -0.22 0.00 0.00 54.13 53.40 1kee s LEU 205 Cb -0.05 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.59 1kee s LEU 205 CO 0.11 -0.15 0.16 -0.63 -1.32 0.00 0.00 176.35 174.53 1kee s ILE 206 N 1.55 4.67 0.21 6.68 1.09 -0.43 -0.54 121.20 134.43 1kee s ILE 206 Ca 0.01 -0.41 0.08 0.00 -1.10 0.00 0.00 60.65 59.24 1kee s ILE 206 Cb -0.15 -3.39 -0.04 0.00 -1.06 0.00 0.00 42.46 37.83 1kee s ILE 206 CO -0.08 0.05 0.01 -1.81 -0.10 0.00 0.00 174.94 173.01 1kee s ASP 207 N 1.62 4.72 0.65 3.58 1.01 0.92 -0.20 116.67 128.98 1kee s ASP 207 Ca 0.05 -0.48 -0.13 0.00 0.71 0.00 0.00 52.55 52.69 1kee s ASP 207 Cb -0.17 -0.97 -0.01 0.00 1.01 0.00 0.00 42.92 42.78 1kee s ASP 207 CO 0.07 0.05 1.06 -1.83 0.21 0.00 0.00 175.17 174.73 1kee s GLU 208 N -3.28 3.08 -0.19 8.23 -1.05 0.19 -0.77 118.70 124.92 1kee s GLU 208 Ca 0.29 1.11 -0.29 0.00 -0.15 0.00 0.00 54.97 55.93 1kee s GLU 208 Cb -0.08 -2.00 -0.01 0.00 -0.44 0.00 0.00 34.13 31.59 1kee s GLU 208 CO 0.19 -0.99 1.31 0.45 0.95 0.00 0.00 175.26 177.17 1kee s SER 209 N -3.21 6.85 -0.13 0.83 0.15 -1.24 -4.67 113.70 112.27 1kee s SER 209 Ca 0.61 1.63 0.15 0.00 0.70 0.00 0.00 55.95 59.04 1kee s SER 209 Cb -0.15 -2.54 0.40 0.00 -1.71 0.00 0.00 66.02 62.02 1kee s SER 209 CO 0.45 -0.86 1.30 0.18 1.20 0.00 0.00 173.24 175.52 1kee n LEU 210 N 6.93 3.22 -4.65 3.45 4.77 -1.26 -5.04 117.00 124.42 1kee n LEU 210 Ca 0.14 -2.84 -0.50 0.00 -0.03 0.00 0.00 56.01 52.78 1kee n LEU 210 Cb 0.45 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1kee n LEU 210 CO 0.58 0.68 1.15 -0.38 -1.33 0.00 0.00 177.39 178.09 1kee n ILE 211 N -0.63 0.13 0.00 -0.08 5.41 -1.26 -1.68 119.36 121.25 1kee n ILE 211 Ca 0.17 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.90 1kee n ILE 211 Cb 0.72 -1.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 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 3.36 0.77 3.83 7.39 0.00 -0.90 -4.95 105.19 114.69 1kee n GLY 212 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.21 1.85 0.39 1.61 0.52 -0.68 -4.72 118.94 115.70 1kee s TRP 213 Ca 0.00 0.55 -0.23 0.00 0.02 0.00 0.00 56.10 56.44 1kee s TRP 213 Cb 0.00 -3.72 -0.10 0.00 -1.15 0.00 0.00 33.47 28.49 1kee s TRP 213 CO 0.00 -2.65 0.95 0.15 0.02 0.00 0.00 176.95 175.42 1kee s LYS 214 N -5.61 4.34 -0.14 4.98 1.02 -0.47 -1.54 119.74 122.33 1kee s LYS 214 Ca 0.69 1.22 0.02 0.00 0.02 0.00 0.00 55.97 57.92 1kee s LYS 214 Cb -0.09 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1kee s LYS 214 CO 0.53 0.07 -0.19 -2.00 -0.92 0.00 0.00 175.35 172.84 1kee s GLU 215 N -2.74 3.14 0.19 1.68 2.12 -1.26 -0.17 118.70 121.66 1kee s GLU 215 Ca 0.58 -0.80 0.07 0.00 0.36 0.00 0.00 54.97 55.18 1kee s GLU 215 Cb -0.13 -2.51 -0.05 0.00 0.26 0.00 0.00 34.13 31.71 1kee s GLU 215 CO 0.18 0.06 -0.14 0.71 -0.54 0.00 0.00 175.26 175.53 1kee s TYR 216 N 0.68 1.62 0.02 5.30 2.02 -0.65 -1.15 117.35 125.19 1kee s TYR 216 Ca -0.09 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1kee s TYR 216 Cb -0.16 -0.77 -0.02 0.00 -0.40 0.00 0.00 41.96 40.61 1kee s TYR 216 CO 0.02 0.30 -0.03 -1.21 -1.57 0.00 0.00 175.55 173.05 1kee s GLU 217 N -3.54 0.33 -0.02 -0.62 2.02 -0.84 -0.88 118.70 115.15 1kee s GLU 217 Ca 0.20 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1kee s GLU 217 Cb -0.01 0.10 0.02 0.00 0.10 0.00 0.00 34.13 34.34 1kee s GLU 217 CO 0.05 -0.05 0.01 -1.64 0.02 0.00 0.00 175.26 173.66 1kee s MET 218 N -1.55 0.05 -0.24 1.61 -1.94 -0.53 -0.47 119.30 116.23 1kee s MET 218 Ca -0.15 0.10 -0.10 0.00 -1.71 0.00 0.00 55.69 53.83 1kee s MET 218 Cb -0.09 -0.22 -0.05 0.00 2.01 0.00 0.00 34.83 36.48 1kee s MET 218 CO -0.01 -0.10 0.15 -1.21 -0.01 0.00 0.00 175.02 173.83 1kee s GLU 219 N 0.71 4.03 0.18 2.03 0.41 -0.68 -0.82 118.70 124.55 1kee s GLU 219 Ca -0.06 -0.29 0.11 0.00 -0.41 0.00 0.00 54.97 54.32 1kee s GLU 219 Cb -0.09 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.71 1kee s GLU 219 CO -0.02 0.04 -0.24 0.08 -0.49 0.00 0.00 175.26 174.64 1kee s VAL 220 N 1.09 2.27 0.00 2.63 1.01 -0.07 -0.82 120.40 126.52 1kee s VAL 220 Ca 0.07 -1.99 0.03 0.00 0.00 0.00 0.00 61.98 60.09 1kee s VAL 220 Cb -0.14 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1kee s VAL 220 CO 0.05 -0.12 -0.09 -0.69 0.00 0.00 0.00 175.10 174.24 1kee s VAL 221 N -1.65 0.72 -0.07 2.92 1.01 0.18 -1.90 120.40 121.62 1kee s VAL 221 Ca 0.19 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1kee s VAL 221 Cb -0.08 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.69 1kee s VAL 221 CO 0.09 0.11 0.18 -0.60 0.00 0.00 0.00 175.10 174.88 1kee s ARG 222 N -0.47 0.18 0.40 2.72 3.52 -0.37 -0.33 118.95 124.59 1kee s ARG 222 Ca 0.02 0.32 0.08 0.00 -0.13 0.00 0.00 55.73 56.01 1kee s ARG 222 Cb -0.05 -0.00 -0.02 0.00 -1.56 0.00 0.00 34.95 33.32 1kee s ARG 222 CO -0.00 -0.08 0.35 0.16 -0.81 0.00 0.00 175.30 174.92 1kee s ASP 223 N 0.54 5.08 0.38 -2.12 1.47 -0.37 -0.32 116.67 121.32 1kee s ASP 223 Ca -0.04 -0.70 0.11 0.00 1.18 0.00 0.00 52.55 53.10 1kee s ASP 223 Cb -0.05 -0.65 0.89 0.00 -0.34 0.00 0.00 42.92 42.76 1kee s ASP 223 CO -0.03 -0.58 1.89 0.07 0.68 0.00 0.00 175.17 177.20 1kee h LYS 224 N 1.09 0.59 0.00 2.11 2.10 -1.76 0.20 116.57 120.90 1kee h LYS 224 Ca -0.42 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1kee h LYS 224 Cb 1.26 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1kee h LYS 224 CO 0.58 0.39 0.00 0.09 -2.00 0.00 0.00 179.45 178.51 1kee n ASN 225 N -4.53 0.00 -0.18 7.07 3.02 -1.26 -4.81 115.26 114.56 1kee n ASN 225 Ca 0.16 -1.20 -0.02 0.00 -0.03 0.00 0.00 54.58 53.49 1kee n ASN 225 Cb 0.48 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.68 -3.63 -4.76 6.41 4.64 0.71 -4.99 116.55 114.25 1kee n ASP 226 Ca 0.06 0.06 -0.40 0.00 -1.38 0.00 0.00 54.79 53.13 1kee n ASP 226 Cb 0.03 -1.34 -0.05 0.00 -1.04 0.00 0.00 41.12 38.73 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 -2.47 7.33 -0.02 1.67 0.01 -1.24 -4.83 114.94 115.39 1kee s ASN 227 Ca 0.00 2.21 -0.00 0.00 -0.71 0.00 0.00 52.86 54.36 1kee s ASN 227 Cb 0.00 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 39.07 1kee s ASN 227 CO 0.00 -0.10 0.04 0.00 -1.51 0.00 0.00 177.10 175.53 1kee s ILE 229 N 1.01 1.38 -0.45 0.00 -4.36 0.55 -4.96 121.20 114.36 1kee s ILE 229 Ca -0.08 -1.65 -0.18 0.00 -0.26 0.00 0.00 60.65 58.48 1kee s ILE 229 Cb -0.12 -1.48 0.03 0.00 1.25 0.00 0.00 42.46 42.14 1kee s ILE 229 CO -0.03 -0.34 0.52 -0.63 0.24 0.00 0.00 174.94 174.71 1kee s ILE 230 N -1.88 4.99 0.14 8.37 -1.09 -1.26 0.48 121.20 130.95 1kee s ILE 230 Ca 0.07 -0.32 0.01 0.00 -2.23 0.00 0.00 60.65 58.18 1kee s ILE 230 Cb -0.06 -4.14 -0.19 0.00 -1.58 0.00 0.00 42.46 36.49 1kee s ILE 230 CO 0.03 -0.56 1.31 0.58 -1.23 0.00 0.00 174.94 175.07 1kee h VAL 231 N 5.79 1.51 -1.68 2.92 2.07 -1.31 -3.38 116.25 122.18 1kee h VAL 231 Ca -0.26 -2.80 0.05 0.00 0.82 0.00 0.00 66.70 64.51 1kee h VAL 231 Cb 1.10 2.61 -0.22 0.00 -1.52 0.00 0.00 31.29 33.27 1kee h VAL 231 CO 0.86 0.82 0.47 0.00 0.02 0.00 0.00 177.57 179.74 1kee s SER 233 N -1.18 3.56 0.00 0.00 1.04 -1.26 -1.69 113.70 114.18 1kee s SER 233 Ca -0.03 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.11 1kee s SER 233 Cb -0.00 -0.60 -0.02 0.00 0.10 0.00 0.00 66.02 65.50 1kee s SER 233 CO 0.03 0.33 -0.16 -0.63 0.98 0.00 0.00 173.24 173.79 1kee s ILE 234 N -0.69 1.23 -0.13 -1.02 1.01 0.38 -3.24 121.20 118.75 1kee s ILE 234 Ca 0.11 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1kee s ILE 234 Cb -0.10 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1kee s ILE 234 CO -0.00 0.26 -0.22 -0.70 0.00 0.00 0.00 174.94 174.28 1kee s GLU 235 N -0.61 2.95 0.43 2.79 2.12 0.75 -1.98 118.70 125.15 1kee s GLU 235 Ca 0.05 -0.83 -0.23 0.00 0.36 0.00 0.00 54.97 54.32 1kee s GLU 235 Cb -0.07 -2.38 -0.08 0.00 0.26 0.00 0.00 34.13 31.86 1kee s GLU 235 CO 0.00 -0.01 1.08 -0.80 -0.54 0.00 0.00 175.26 174.99 1kee s ASN 236 N 0.80 6.54 -0.16 -1.70 0.02 -0.30 -1.01 114.94 119.13 1kee s ASN 236 Ca -0.08 2.10 -0.25 0.00 -1.02 0.00 0.00 52.86 53.61 1kee s ASN 236 Cb -0.16 -2.59 -0.24 0.00 0.02 0.00 0.00 41.25 38.29 1kee s ASN 236 CO -0.01 -0.65 0.55 0.15 0.02 0.00 0.00 177.10 177.16 1kee h PHE 237 N 2.25 0.04 -3.56 2.20 3.57 -0.27 -3.44 116.94 117.74 1kee h PHE 237 Ca -0.49 -0.03 -0.52 0.00 3.53 0.00 0.00 57.97 60.46 1kee h PHE 237 Cb 1.22 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1kee h PHE 237 CO 0.56 1.23 0.33 -0.51 -2.23 0.00 0.00 178.31 177.70 1kee s ASP 238 N -6.53 7.47 1.13 0.41 1.01 -1.21 -4.45 116.67 114.50 1kee s ASP 238 Ca -0.23 1.76 -0.17 0.00 0.71 0.00 0.00 52.55 54.63 1kee s ASP 238 Cb 0.01 -2.57 0.24 0.00 1.01 0.00 0.00 42.92 41.60 1kee s ASP 238 CO 0.66 -0.04 1.04 0.00 0.21 0.00 0.00 175.17 177.04 1kee n ALA 239 N 2.69 -2.30 -1.66 5.23 0.00 -1.26 -4.73 120.51 118.48 1kee n ALA 239 Ca 0.01 -1.45 -0.41 0.00 0.00 0.00 0.00 53.44 51.59 1kee n ALA 239 Cb 0.49 -0.09 0.02 0.00 0.00 0.00 0.00 19.45 19.87 1kee n ALA 239 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1kee n MET 240 N -4.01 1.59 0.00 0.00 2.81 -0.59 -2.80 117.12 114.11 1kee n MET 240 Ca 0.14 0.57 0.00 0.00 -1.81 0.00 0.00 57.70 56.60 1kee n MET 240 Cb 0.51 -2.23 0.00 0.00 -0.71 0.00 0.00 33.22 30.79 1kee n MET 240 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kee n GLY 241 N 1.01 1.54 3.09 3.03 0.00 -1.26 -2.11 105.19 110.49 1kee n GLY 241 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.17 1.96 0.25 -0.61 1.01 -1.12 -3.43 121.20 117.08 1kee s ILE 242 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 1kee s ILE 242 Cb 0.00 -1.82 -0.15 0.00 0.01 0.00 0.00 42.46 40.50 1kee s ILE 242 CO 0.00 0.45 1.09 1.57 0.00 0.00 0.00 174.94 178.06 1kee n HIS 243 N 4.63 1.35 -0.22 3.97 -0.00 0.12 -4.71 115.22 120.37 1kee n HIS 243 Ca -0.19 0.67 0.23 0.00 -0.00 0.00 0.00 57.72 58.43 1kee n HIS 243 Cb 0.49 -2.28 0.59 0.00 -0.00 0.00 0.00 29.99 28.79 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 2.30 0.62 0.00 3.57 1.35 -1.93 0.21 112.91 119.03 1kee h THR 244 Ca -0.41 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1kee h THR 244 Cb 1.34 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1kee h THR 244 CO 0.65 0.05 0.00 1.23 -0.25 0.00 0.00 175.52 177.20 1kee h GLY 245 N 0.25 0.00 -1.58 5.82 0.00 -1.98 -2.88 103.07 102.71 1kee h GLY 245 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1kee h GLY 245 CO -0.12 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.64 1kee n ASP 246 N -2.58 2.79 -4.93 0.19 10.43 0.58 -4.78 116.55 118.25 1kee n ASP 246 Ca 0.04 -1.82 -0.20 0.00 2.57 0.00 0.00 54.79 55.38 1kee n ASP 246 Cb 0.40 -0.13 -0.02 0.00 1.84 0.00 0.00 41.12 43.21 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 -1.27 5.82 0.05 -2.24 0.01 -0.34 -4.85 113.70 110.88 1kee s SER 247 Ca 0.26 -0.21 -0.23 0.00 1.31 0.00 0.00 55.95 57.07 1kee s SER 247 Cb 0.16 -1.34 -0.06 0.00 0.21 0.00 0.00 66.02 64.99 1kee s SER 247 CO 0.22 -0.28 0.69 -0.63 0.41 0.00 0.00 173.24 173.66 1kee s ILE 248 N -2.16 4.74 0.03 1.44 1.01 -1.26 -4.35 121.20 120.66 1kee s ILE 248 Ca 0.40 1.47 -0.01 0.00 0.00 0.00 0.00 60.65 62.50 1kee s ILE 248 Cb -0.08 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1kee s ILE 248 CO 0.29 0.42 -0.01 0.42 0.00 0.00 0.00 174.94 176.06 1kee s THR 249 N -0.35 0.15 0.13 2.92 -4.23 -0.66 0.52 115.64 114.13 1kee s THR 249 Ca 0.35 -1.25 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 1kee s THR 249 Cb -0.20 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 1kee s THR 249 CO 0.21 -0.69 -0.12 0.68 -0.54 0.00 0.00 174.62 174.17 1kee s VAL 250 N -2.49 1.19 -0.02 2.29 -7.23 -0.18 0.03 120.40 113.99 1kee s VAL 250 Ca -0.06 -1.85 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 1kee s VAL 250 Cb -0.02 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 1kee s VAL 250 CO -0.05 -0.59 -0.14 0.00 -0.31 0.00 0.00 175.10 174.01 1kee s ALA 251 N -2.71 1.23 0.75 1.32 0.00 -0.59 -0.17 121.76 121.57 1kee s ALA 251 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1kee s ALA 251 Cb -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1kee s ALA 251 CO 0.01 0.26 0.00 -0.35 0.00 0.00 0.00 175.76 175.69 1kee n PRO 252 N 2.93 0.78 -2.13 0.00 -0.04 -1.26 -1.77 135.00 133.51 1kee n PRO 252 Ca -0.16 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.94 1kee n PRO 252 Cb 0.54 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.01 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 -3.49 2.79 -0.07 0.55 0.00 -1.20 -4.34 121.76 116.00 1kee s ALA 253 Ca 0.00 0.99 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1kee s ALA 253 Cb 0.00 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 1kee s ALA 253 CO 0.00 -0.91 -0.03 1.04 0.00 0.00 0.00 175.76 175.86 1kee n GLN 254 N -1.00 1.26 -0.83 0.00 1.13 -1.26 -4.81 117.38 111.87 1kee n GLN 254 Ca 0.10 0.03 -0.04 0.00 -1.94 0.00 0.00 57.00 55.15 1kee n GLN 254 Cb 0.49 -1.15 0.25 0.00 0.11 0.00 0.00 30.24 29.93 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 -2.53 2.69 -4.06 5.09 -2.24 -1.26 -4.97 114.28 107.00 1kee n THR 255 Ca -0.12 -2.08 -0.36 0.00 -2.27 0.00 0.00 64.05 59.23 1kee n THR 255 Cb 0.66 -0.33 -0.08 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.07 3.97 0.73 3.22 1.43 -1.26 -5.10 118.68 118.61 1kee s LEU 256 Ca 0.49 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.73 1kee s LEU 256 Cb 0.41 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.70 1kee s LEU 256 CO 0.08 0.32 1.08 0.42 0.23 0.00 0.00 176.35 178.47 1kee s THR 257 N -0.52 3.65 0.26 5.49 -4.23 -1.26 -4.73 115.64 114.30 1kee s THR 257 Ca 0.11 0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 61.13 1kee s THR 257 Cb -0.12 -3.30 0.25 0.00 1.34 0.00 0.00 72.50 70.67 1kee s THR 257 CO 0.02 -0.70 1.83 -0.78 -0.54 0.00 0.00 174.62 174.45 1kee h ASP 258 N -0.85 0.84 0.09 3.99 3.58 -1.98 0.40 116.42 122.50 1kee h ASP 258 Ca -0.45 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.06 1kee h ASP 258 Cb 1.23 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 42.11 1kee h ASP 258 CO 0.58 0.48 -0.46 0.11 -2.88 0.00 0.00 179.24 177.07 1kee h LYS 259 N 0.94 -0.65 -0.53 0.28 1.57 -1.99 0.30 116.57 116.48 1kee h LYS 259 Ca 0.44 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.29 1kee h LYS 259 Cb 0.38 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1kee h LYS 259 CO -0.24 -0.44 0.32 0.93 -0.57 0.00 0.00 179.45 179.45 1kee h GLU 260 N -0.68 0.62 -0.57 3.15 5.08 -1.79 -1.65 114.58 118.74 1kee h GLU 260 Ca 0.02 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1kee h GLU 260 Cb 0.71 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1kee h GLU 260 CO -0.28 0.41 0.22 -0.92 -1.00 0.00 0.00 179.01 177.44 1kee h TYR 261 N 0.63 0.39 -0.18 4.33 5.03 0.67 -1.42 116.97 126.43 1kee h TYR 261 Ca 0.22 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.49 1kee h TYR 261 Cb 0.02 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1kee h TYR 261 CO -0.06 0.12 -0.17 1.96 -1.32 0.00 0.00 178.16 178.69 1kee h GLN 262 N 0.41 0.29 -0.42 1.82 1.08 0.03 0.54 115.11 118.87 1kee h GLN 262 Ca 0.28 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.33 1kee h GLN 262 Cb 0.31 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1kee h GLN 262 CO -0.27 0.47 -0.01 0.82 -0.95 0.00 0.00 178.83 178.89 1kee h ILE 263 N 0.27 1.26 -0.70 2.54 2.04 -0.48 -0.91 117.51 121.53 1kee h ILE 263 Ca 0.05 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1kee h ILE 263 Cb 0.47 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1kee h ILE 263 CO 0.03 0.35 0.32 -0.03 0.00 0.00 0.00 178.15 178.82 1kee h MET 264 N 0.59 1.02 -0.13 2.37 4.05 -0.60 -0.43 114.93 121.79 1kee h MET 264 Ca 0.12 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1kee h MET 264 Cb 0.50 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1kee h MET 264 CO 0.02 0.82 0.06 -0.09 0.23 0.00 0.00 176.91 177.95 1kee h ARG 265 N 0.98 0.20 -0.36 0.39 2.43 -0.81 0.72 114.38 117.93 1kee h ARG 265 Ca 0.24 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1kee h ARG 265 Cb 0.15 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1kee h ARG 265 CO -0.03 0.27 0.19 -0.91 -1.51 0.00 0.00 179.97 177.99 1kee h ASN 266 N 0.07 0.29 -0.69 -3.80 -0.26 -0.89 -2.07 115.58 108.23 1kee h ASN 266 Ca 0.04 0.01 0.06 0.00 -0.56 0.00 0.00 56.30 55.85 1kee h ASN 266 Cb 0.15 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.31 1kee h ASN 266 CO -0.00 0.22 0.40 0.00 -1.06 0.00 0.00 177.43 176.98 1kee h ALA 267 N 1.18 0.93 -0.35 -0.83 0.00 -0.82 -1.28 119.26 118.10 1kee h ALA 267 Ca 0.15 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1kee h ALA 267 Cb 0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1kee h ALA 267 CO -0.09 0.09 0.03 0.77 0.00 0.00 0.00 179.25 180.05 1kee h SER 268 N 0.74 -0.08 -0.61 0.00 0.02 -0.38 0.76 113.55 114.00 1kee h SER 268 Ca 0.31 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.23 1kee h SER 268 Cb 0.17 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1kee h SER 268 CO -0.18 -0.00 0.02 0.24 -1.14 0.00 0.00 176.83 175.77 1kee h MET 269 N 0.13 1.07 -0.75 3.45 2.86 -0.91 -2.84 114.93 117.94 1kee h MET 269 Ca 0.17 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1kee h MET 269 Cb 0.21 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1kee h MET 269 CO -0.26 1.04 0.32 0.00 1.06 0.00 0.00 176.91 179.07 1kee h ALA 270 N 1.02 0.97 -0.47 6.32 0.00 -0.94 -1.91 119.26 124.25 1kee h ALA 270 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kee h ALA 270 Cb 0.54 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1kee h ALA 270 CO 0.03 0.57 0.30 0.28 0.00 0.00 0.00 179.25 180.43 1kee h VAL 271 N 1.07 1.13 -0.65 0.00 2.07 -0.63 -1.36 116.25 117.88 1kee h VAL 271 Ca 0.25 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1kee h VAL 271 Cb 0.18 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1kee h VAL 271 CO -0.02 0.13 0.08 -0.07 0.02 0.00 0.00 177.57 177.71 1kee h LEU 272 N 0.63 1.06 -1.01 2.57 4.07 -1.31 -1.61 115.31 119.71 1kee h LEU 272 Ca 0.17 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1kee h LEU 272 Cb -0.05 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.37 1kee h LEU 272 CO -0.04 1.06 0.49 0.03 -1.08 0.00 0.00 178.44 178.91 1kee h ARG 273 N 1.01 1.18 -0.08 1.13 3.08 -1.08 -1.51 114.38 118.12 1kee h ARG 273 Ca 0.20 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 1kee h ARG 273 Cb 0.47 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.29 1kee h ARG 273 CO 0.02 0.85 -0.54 1.49 -1.07 0.00 0.00 179.97 180.71 1kee h GLU 274 N 1.19 0.50 0.00 0.04 4.57 -1.01 -3.20 114.58 116.68 1kee h GLU 274 Ca 0.31 -0.44 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 1kee h GLU 274 Cb -0.01 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1kee h GLU 274 CO -0.05 1.07 -0.27 0.82 -1.18 0.00 0.00 179.01 179.40 1kee h ILE 275 N 0.07 1.16 -0.01 2.32 5.03 -1.22 -3.47 117.51 121.40 1kee h ILE 275 Ca -0.05 -0.94 0.00 0.00 -0.12 0.00 0.00 64.86 63.75 1kee h ILE 275 Cb 1.20 1.51 0.00 0.00 -3.03 0.00 0.00 36.82 36.51 1kee h ILE 275 CO 0.11 0.27 0.00 0.61 -0.68 0.00 0.00 178.15 178.46 1kee n GLY 276 N -0.71 1.42 3.48 5.37 0.00 -0.65 -4.28 105.19 109.80 1kee n GLY 276 Ca -0.02 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.01 4.99 -0.09 1.61 1.01 -0.69 -4.66 120.40 120.56 1kee s VAL 277 Ca 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 61.98 61.80 1kee s VAL 277 Cb 0.00 -4.14 -0.20 0.00 0.00 0.00 0.00 36.38 32.04 1kee s VAL 277 CO 0.00 -0.56 0.16 -0.62 0.00 0.00 0.00 175.10 174.08 1kee n GLU 278 N 5.86 1.20 -3.45 2.72 1.02 -1.26 -4.67 120.64 122.06 1kee n GLU 278 Ca -0.06 -0.06 -0.26 0.00 -0.02 0.00 0.00 57.16 56.76 1kee n GLU 278 Cb 0.47 -1.37 -0.09 0.00 -0.02 0.00 0.00 31.44 30.43 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 -2.34 0.74 -3.72 2.62 -2.24 -1.23 -2.63 114.28 105.48 1kee n THR 279 Ca -0.15 -4.50 0.00 0.00 -2.27 0.00 0.00 64.05 57.13 1kee n THR 279 Cb 0.75 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 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 1.59 -0.61 3.81 3.38 0.00 0.56 -3.95 105.19 109.96 1kee n GLY 280 Ca 0.25 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 1.57 0.02 -0.02 0.00 -1.26 -1.24 107.32 106.39 1kee s GLY 281 Ca 0.00 -1.31 -0.23 0.00 0.00 0.00 0.00 44.72 43.17 1kee s GLY 281 CO 0.00 -1.34 0.53 -0.56 0.00 0.00 0.00 173.10 171.73 1kee s SER 282 N -3.46 -0.46 -0.15 1.64 0.01 -0.80 -3.04 113.70 107.44 1kee s SER 282 Ca 0.32 0.29 -0.05 0.00 1.31 0.00 0.00 55.95 57.82 1kee s SER 282 Cb -0.09 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.59 1kee s SER 282 CO 0.24 -0.66 0.01 0.21 0.41 0.00 0.00 173.24 173.45 1kee s ASN 283 N -1.73 5.23 -0.12 2.44 3.84 -0.63 -0.89 114.94 123.08 1kee s ASN 283 Ca -0.07 0.02 0.03 0.00 0.21 0.00 0.00 52.86 53.04 1kee s ASN 283 Cb -0.01 -1.80 0.01 0.00 -0.55 0.00 0.00 41.25 38.90 1kee s ASN 283 CO 0.02 0.22 -0.22 -0.69 -2.79 0.00 0.00 177.10 173.63 1kee s VAL 284 N 0.10 1.99 -0.02 -5.21 1.01 -0.00 -0.60 120.40 117.66 1kee s VAL 284 Ca 0.02 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 1kee s VAL 284 Cb -0.13 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1kee s VAL 284 CO 0.02 0.54 0.04 -1.10 0.00 0.00 0.00 175.10 174.60 1kee s GLN 285 N 0.69 2.98 0.20 2.72 -0.21 -0.10 -1.45 119.66 124.49 1kee s GLN 285 Ca -0.11 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 54.78 1kee s GLN 285 Cb -0.16 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.00 1kee s GLN 285 CO 0.01 0.66 0.07 -0.06 -2.12 0.00 0.00 175.29 173.85 1kee s PHE 286 N -1.10 1.22 -0.03 0.91 0.08 -0.06 -1.39 117.98 117.61 1kee s PHE 286 Ca 0.20 -1.20 0.05 0.00 0.12 0.00 0.00 56.93 56.10 1kee s PHE 286 Cb -0.12 -0.68 -0.01 0.00 -0.57 0.00 0.00 43.02 41.65 1kee s PHE 286 CO 0.10 -0.41 -0.18 0.00 -0.10 0.00 0.00 175.22 174.63 1kee s ALA 287 N -3.89 1.57 -0.05 5.36 0.00 0.35 -1.63 121.76 123.46 1kee s ALA 287 Ca 0.32 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1kee s ALA 287 Cb 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1kee s ALA 287 CO 0.08 0.33 -0.14 0.08 0.00 0.00 0.00 175.76 176.12 1kee s VAL 288 N -0.18 1.19 -0.39 0.00 1.01 0.76 -1.25 120.40 121.53 1kee s VAL 288 Ca 0.01 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.18 1kee s VAL 288 Cb -0.10 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1kee s VAL 288 CO 0.01 0.36 0.95 0.21 0.00 0.00 0.00 175.10 176.63 1kee s ASN 289 N 0.33 6.65 0.54 3.32 2.47 0.26 -1.36 114.94 127.15 1kee s ASN 289 Ca -0.08 0.50 0.26 0.00 0.42 0.00 0.00 52.86 53.96 1kee s ASN 289 Cb -0.13 -2.47 1.43 0.00 -1.45 0.00 0.00 41.25 38.63 1kee s ASN 289 CO 0.03 -0.93 1.99 1.55 -3.72 0.00 0.00 177.10 176.02 1kee h PRO 290 N 8.64 0.00 0.00 0.43 0.13 -1.91 0.78 132.00 140.07 1kee h PRO 290 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1kee h PRO 290 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1kee h PRO 290 CO 1.01 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.65 1kee h LYS 291 N 0.00 0.00 0.00 0.86 1.57 -1.99 -3.38 116.57 113.63 1kee h LYS 291 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1kee h LYS 291 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1kee h LYS 291 CO -0.00 0.00 -0.03 0.27 -0.57 0.00 0.00 179.45 179.12 1kee n ASN 292 N -2.86 0.00 -0.97 0.86 0.23 -0.68 -5.00 115.26 106.84 1kee n ASN 292 Ca 0.04 -1.06 -0.13 0.00 -0.53 0.00 0.00 54.58 52.91 1kee n ASN 292 Cb 0.48 -0.01 -0.05 0.00 -2.08 0.00 0.00 39.78 38.11 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 1.29 3.69 4.83 0.00 0.26 -4.92 105.19 110.35 1kee n GLY 293 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1kee n GLY 293 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kee s ARG 294 N -2.97 4.17 -0.15 1.61 3.52 -1.23 -4.62 118.95 119.28 1kee s ARG 294 Ca 0.00 2.45 -0.12 0.00 -0.13 0.00 0.00 55.73 57.93 1kee s ARG 294 Cb 0.00 -3.65 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 1kee s ARG 294 CO 0.00 -0.80 0.25 -1.17 -0.81 0.00 0.00 175.30 172.78 1kee s LEU 295 N 2.86 4.28 -0.04 -0.88 2.96 -1.26 -0.57 118.68 126.03 1kee s LEU 295 Ca 0.78 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 55.22 1kee s LEU 295 Cb -0.42 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 43.97 1kee s LEU 295 CO 0.34 0.18 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.79 1kee s ILE 296 N 0.11 1.13 -0.11 6.68 1.01 -0.38 -4.50 121.20 125.14 1kee s ILE 296 Ca 0.15 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 60.05 1kee s ILE 296 Cb -0.13 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1kee s ILE 296 CO 0.04 0.34 0.61 -0.69 0.00 0.00 0.00 174.94 175.24 1kee s VAL 297 N 0.15 5.09 -0.25 2.92 1.01 0.18 -0.50 120.40 129.00 1kee s VAL 297 Ca -0.04 1.23 -0.17 0.00 0.00 0.00 0.00 61.98 63.00 1kee s VAL 297 Cb -0.11 -3.95 -0.15 0.00 0.00 0.00 0.00 36.38 32.18 1kee s VAL 297 CO 0.02 0.25 -0.14 -0.38 0.00 0.00 0.00 175.10 174.84 1kee n ILE 298 N 3.93 1.53 -3.85 2.22 2.08 -0.49 -4.55 119.36 120.24 1kee n ILE 298 Ca -0.03 -0.25 -0.02 0.00 0.56 0.00 0.00 62.75 63.01 1kee n ILE 298 Cb 0.51 -1.94 0.01 0.00 -0.75 0.00 0.00 39.64 37.47 1kee n ILE 298 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1kee s GLU 299 N -2.45 1.04 -0.03 0.38 -1.05 -1.22 -5.02 118.70 110.36 1kee s GLU 299 Ca -0.35 -0.65 -0.07 0.00 -0.15 0.00 0.00 54.97 53.75 1kee s GLU 299 Cb 0.11 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.12 1kee s GLU 299 CO 0.53 -0.49 0.16 0.00 0.95 0.00 0.00 175.26 176.42 1kee s MET 300 N -2.34 0.38 -0.21 -4.83 0.23 -1.26 -0.92 119.30 110.35 1kee s MET 300 Ca 0.21 -0.13 0.01 0.00 -1.03 0.00 0.00 55.69 54.75 1kee s MET 300 Cb -0.01 0.17 0.03 0.00 -1.53 0.00 0.00 34.83 33.48 1kee s MET 300 CO 0.03 -0.08 -0.15 -0.80 -2.03 0.00 0.00 175.02 171.98 1kee s ASN 301 N -0.79 3.62 -1.18 -1.18 0.01 0.23 -4.81 114.94 110.85 1kee s ASN 301 Ca -0.09 -0.82 -0.08 0.00 -0.71 0.00 0.00 52.86 51.17 1kee s ASN 301 Cb -0.05 -1.53 -0.07 0.00 0.41 0.00 0.00 41.25 40.01 1kee s ASN 301 CO 0.01 -0.06 2.95 -0.81 -1.51 0.00 0.00 177.10 177.69 1kee n PRO 302 N 4.60 3.49 -4.02 -0.60 -0.04 -1.26 -1.60 135.00 135.56 1kee n PRO 302 Ca -0.19 -2.26 0.04 0.00 -0.04 0.00 0.00 63.50 61.05 1kee n PRO 302 Cb 0.48 -2.57 0.01 0.00 -0.04 0.00 0.00 33.50 31.38 1kee n PRO 302 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1kee s ARG 303 N 0.96 0.19 0.76 0.54 1.70 -1.17 -4.88 118.95 117.06 1kee s ARG 303 Ca 0.65 -0.12 -0.11 0.00 -0.47 0.00 0.00 55.73 55.68 1kee s ARG 303 Cb 0.22 0.05 0.05 0.00 -0.57 0.00 0.00 34.95 34.70 1kee s ARG 303 CO -0.07 -0.09 1.08 0.14 -1.08 0.00 0.00 175.30 175.28 1kee s VAL 304 N -2.01 3.45 0.10 4.99 -7.23 -0.87 -4.35 120.40 114.49 1kee s VAL 304 Ca 0.31 0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 60.95 1kee s VAL 304 Cb -0.00 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.87 1kee s VAL 304 CO -0.02 -0.62 0.14 -1.54 -0.31 0.00 0.00 175.10 172.76 1kee n SER 305 N -3.43 -0.40 0.20 4.85 3.41 -1.26 -4.73 113.62 112.27 1kee n SER 305 Ca 0.08 -1.52 0.08 0.00 -0.26 0.00 0.00 58.87 57.26 1kee n SER 305 Cb 0.54 0.74 0.33 0.00 -0.26 0.00 0.00 64.21 65.55 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 0.00 4.33 0.11 -1.95 -2.36 114.38 114.51 1kee h ARG 306 Ca -0.08 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.81 1kee h ARG 306 Cb 0.33 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.38 1kee h ARG 306 CO 0.10 0.27 -0.94 0.77 0.10 0.00 0.00 179.97 180.27 1kee h SER 307 N 0.00 0.00 0.32 0.08 0.02 -1.99 -2.44 113.55 109.55 1kee h SER 307 Ca -0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1kee h SER 307 Cb 0.92 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1kee h SER 307 CO 0.04 0.87 -0.53 0.77 -1.14 0.00 0.00 176.83 176.83 1kee h SER 308 N 0.00 0.26 -0.23 3.07 4.64 -1.84 0.74 113.55 120.19 1kee h SER 308 Ca -0.03 -0.13 -0.18 0.00 -0.47 0.00 0.00 61.79 60.98 1kee h SER 308 Cb 1.69 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1kee h SER 308 CO 0.11 0.74 -0.57 0.00 -0.87 0.00 0.00 176.83 176.24 1kee h ALA 309 N 1.26 0.38 -0.47 5.18 0.00 -1.45 0.12 119.26 124.28 1kee h ALA 309 Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1kee h ALA 309 Cb 1.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1kee h ALA 309 CO 0.08 0.60 0.20 1.25 0.00 0.00 0.00 179.25 181.38 1kee h LEU 310 N 0.53 0.63 -1.12 0.00 5.85 -1.28 -1.95 115.31 117.98 1kee h LEU 310 Ca -0.01 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1kee h LEU 310 Cb 1.18 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1kee h LEU 310 CO 0.12 0.61 0.57 0.00 -0.34 0.00 0.00 178.44 179.40 1kee h ALA 311 N 1.04 1.35 -0.40 1.25 0.00 -0.72 0.24 119.26 122.03 1kee h ALA 311 Ca 0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1kee h ALA 311 Cb 0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1kee h ALA 311 CO -0.02 0.59 -0.12 0.77 0.00 0.00 0.00 179.25 180.47 1kee h SER 312 N 1.19 0.81 -0.33 0.00 0.02 -0.68 -1.71 113.55 112.85 1kee h SER 312 Ca 0.32 -0.37 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1kee h SER 312 Cb -0.12 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 1kee h SER 312 CO -0.07 0.99 -0.19 0.11 -1.14 0.00 0.00 176.83 176.54 1kee h LYS 313 N 0.61 0.71 -0.69 3.45 1.79 -1.16 0.10 116.57 121.38 1kee h LYS 313 Ca 0.10 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.22 1kee h LYS 313 Cb 0.66 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 1kee h LYS 313 CO 0.04 0.93 0.33 0.00 -1.08 0.00 0.00 179.45 179.68 1kee h ALA 314 N 0.77 1.29 0.01 3.86 0.00 -0.38 -3.32 119.26 121.48 1kee h ALA 314 Ca 0.07 -0.14 -0.37 0.00 0.00 0.00 0.00 54.91 54.47 1kee h ALA 314 Cb 0.73 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1kee h ALA 314 CO 0.05 0.55 -2.37 0.25 0.00 0.00 0.00 179.25 177.74 1kee n THR 315 N -4.34 1.47 -0.06 0.00 -2.24 -0.66 -4.99 114.28 103.46 1kee n THR 315 Ca 0.07 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1kee n THR 315 Cb 0.13 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 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 1.98 0.76 3.50 3.38 0.00 0.34 -2.55 105.19 112.60 1kee n GLY 316 Ca -0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.06 3.12 -1.25 1.61 2.19 -1.20 -4.61 117.98 115.77 1kee s PHE 317 Ca 0.00 -0.21 -0.18 0.00 0.33 0.00 0.00 56.93 56.87 1kee s PHE 317 Cb 0.00 -3.12 0.00 0.00 -1.31 0.00 0.00 43.02 38.59 1kee s PHE 317 CO 0.00 -0.78 1.92 -0.35 1.83 0.00 0.00 175.22 177.84 1kee n PRO 318 N 5.94 2.57 -0.33 10.12 -0.04 -1.26 -4.17 135.00 147.83 1kee n PRO 318 Ca -0.04 -2.77 -0.09 0.00 -0.04 0.00 0.00 63.50 60.57 1kee n PRO 318 Cb 0.48 -3.42 -0.05 0.00 -0.04 0.00 0.00 33.50 30.46 1kee n PRO 318 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1kee h ILE 319 N 5.16 0.02 -0.50 0.52 2.04 -1.92 -1.93 117.51 120.90 1kee h ILE 319 Ca 0.43 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.33 1kee h ILE 319 Cb 0.80 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1kee h ILE 319 CO 1.58 0.00 0.26 0.00 0.00 0.00 0.00 178.15 180.00 1kee h ALA 320 N 0.66 0.64 -0.45 1.87 0.00 -1.91 0.94 119.26 121.00 1kee h ALA 320 Ca 0.20 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1kee h ALA 320 Cb 0.51 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1kee h ALA 320 CO -0.85 -0.07 0.19 -0.22 0.00 0.00 0.00 179.25 178.29 1kee h LYS 321 N 0.52 0.37 0.47 0.00 3.64 -1.67 0.33 116.57 120.22 1kee h LYS 321 Ca 0.21 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1kee h LYS 321 Cb 0.10 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1kee h LYS 321 CO -0.14 0.24 -0.23 0.28 -2.27 0.00 0.00 179.45 177.34 1kee h VAL 322 N 0.38 0.52 -0.66 2.00 2.07 -0.97 -2.88 116.25 116.71 1kee h VAL 322 Ca 0.21 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1kee h VAL 322 Cb 0.17 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1kee h VAL 322 CO -0.18 0.04 0.44 0.00 0.02 0.00 0.00 177.57 177.88 1kee h ALA 323 N -0.28 2.05 -0.25 1.67 0.00 -0.60 -0.92 119.26 120.93 1kee h ALA 323 Ca -0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1kee h ALA 323 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1kee h ALA 323 CO 0.11 -0.21 -0.37 0.00 0.00 0.00 0.00 179.25 178.78 1kee h ALA 324 N 1.68 0.89 -0.21 0.00 0.00 -0.81 -1.38 119.26 119.43 1kee h ALA 324 Ca 0.31 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1kee h ALA 324 Cb 0.65 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1kee h ALA 324 CO -0.09 0.63 -0.68 0.87 0.00 0.00 0.00 179.25 179.98 1kee h LYS 325 N 0.47 0.82 -0.66 0.00 1.57 -1.07 -3.09 116.57 114.61 1kee h LYS 325 Ca 0.05 -0.60 0.01 0.00 -1.87 0.00 0.00 60.65 58.23 1kee h LYS 325 Cb 0.86 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1kee h LYS 325 CO 0.07 1.22 0.43 -0.07 -0.57 0.00 0.00 179.45 180.54 1kee h LEU 326 N 0.60 0.77 -2.56 2.94 4.07 -1.08 -1.47 115.31 118.56 1kee h LEU 326 Ca -0.02 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1kee h LEU 326 Cb 1.30 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 1kee h LEU 326 CO 0.14 0.56 -0.01 0.00 -1.08 0.00 0.00 178.44 178.06 1kee h ALA 327 N 1.58 1.38 -0.57 1.53 0.00 -1.16 -2.33 119.26 119.68 1kee h ALA 327 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1kee h ALA 327 Cb -0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1kee h ALA 327 CO -0.05 0.01 0.01 1.33 0.00 0.00 0.00 179.25 180.55 1kee n VAL 328 N -3.65 2.72 -0.06 0.00 0.24 -0.57 -4.19 118.33 112.83 1kee n VAL 328 Ca -0.03 -1.38 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 1kee n VAL 328 Cb 0.09 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 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 0.57 0.46 3.79 7.63 0.00 -0.88 0.66 105.19 117.43 1kee n GLY 329 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.18 2.85 0.19 1.61 1.51 -1.10 -4.05 117.35 116.19 1kee s TYR 330 Ca 0.00 1.52 0.10 0.00 -1.01 0.00 0.00 57.07 57.68 1kee s TYR 330 Cb 0.00 -3.05 -0.04 0.00 -0.11 0.00 0.00 41.96 38.75 1kee s TYR 330 CO 0.00 -1.36 -0.13 0.95 -1.11 0.00 0.00 175.55 173.89 1kee s THR 331 N -2.50 2.95 0.38 -0.71 -4.23 -1.24 -4.41 115.64 105.88 1kee s THR 331 Ca 0.64 -1.82 0.11 0.00 -1.18 0.00 0.00 61.69 59.44 1kee s THR 331 Cb -0.17 -2.46 0.33 0.00 1.34 0.00 0.00 72.50 71.53 1kee s THR 331 CO 0.41 -0.15 1.90 -0.07 -0.54 0.00 0.00 174.62 176.18 1kee h LEU 332 N 2.88 0.57 -0.79 4.79 3.38 -1.94 -0.96 115.31 123.24 1kee h LEU 332 Ca -0.46 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 1kee h LEU 332 Cb 1.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1kee h LEU 332 CO 0.53 0.31 -0.31 -2.24 0.09 0.00 0.00 178.44 176.82 1kee h ASP 333 N 0.62 0.00 0.76 -0.43 2.03 -1.92 -1.82 116.42 115.65 1kee h ASP 333 Ca 0.40 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.47 1kee h ASP 333 Cb 0.68 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.17 1kee h ASP 333 CO -0.16 0.31 -1.08 -0.08 -1.03 0.00 0.00 179.24 177.20 1kee h GLU 334 N 0.00 0.16 -6.96 4.15 4.81 -1.59 -3.45 114.58 111.69 1kee h GLU 334 Ca -0.00 -0.24 -0.46 0.00 -0.13 0.00 0.00 59.36 58.53 1kee h GLU 334 Cb 0.93 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1kee h GLU 334 CO 0.04 1.09 0.34 -0.51 -0.73 0.00 0.00 179.01 179.24 1kee s LEU 335 N -7.04 4.14 0.07 1.64 1.43 -1.00 -4.99 118.68 112.93 1kee s LEU 335 Ca -0.02 1.75 -0.04 0.00 -1.03 0.00 0.00 54.13 54.80 1kee s LEU 335 Cb 0.09 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.99 1kee s LEU 335 CO 0.85 -0.21 0.28 -0.04 0.23 0.00 0.00 176.35 177.46 1kee s MET 336 N -2.61 3.54 -0.45 1.70 -1.94 -1.26 -0.48 119.30 117.81 1kee s MET 336 Ca 0.56 -0.20 -0.29 0.00 -1.71 0.00 0.00 55.69 54.05 1kee s MET 336 Cb -0.14 -2.99 0.02 0.00 2.01 0.00 0.00 34.83 33.73 1kee s MET 336 CO 0.18 0.58 1.23 1.21 -0.01 0.00 0.00 175.02 178.21 1kee s ASN 337 N -2.19 6.55 0.13 3.03 2.47 0.13 -4.46 114.94 120.59 1kee s ASN 337 Ca 0.34 0.62 -0.26 0.00 0.42 0.00 0.00 52.86 53.98 1kee s ASN 337 Cb -0.13 -2.55 -0.07 0.00 -1.45 0.00 0.00 41.25 37.06 1kee s ASN 337 CO 0.23 -1.30 1.45 0.44 -3.72 0.00 0.00 177.10 174.20 1kee h ASP 338 N 9.67 -1.75 0.62 -4.21 3.45 -1.90 -1.58 116.42 120.71 1kee h ASP 338 Ca -0.24 0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1kee h ASP 338 Cb 1.08 0.76 0.00 0.00 -0.56 0.00 0.00 39.33 40.61 1kee h ASP 338 CO 1.11 -0.23 0.00 0.16 -1.57 0.00 0.00 179.24 178.71 1kee h ILE 339 N -0.09 0.00 -0.75 0.35 3.07 -1.92 -2.77 117.51 115.39 1kee h ILE 339 Ca 0.11 -0.28 -0.31 0.00 1.55 0.00 0.00 64.86 65.93 1kee h ILE 339 Cb 0.39 1.17 -0.19 0.00 -0.27 0.00 0.00 36.82 37.92 1kee h ILE 339 CO -0.71 0.00 0.40 0.35 -1.05 0.00 0.00 178.15 177.14 1kee n THR 340 N -2.82 2.74 -2.68 0.16 -2.24 -1.07 -3.84 114.28 104.54 1kee n THR 340 Ca -0.00 -1.52 -0.20 0.00 -2.27 0.00 0.00 64.05 60.07 1kee n THR 340 Cb 0.21 -0.48 0.01 0.00 -2.10 0.00 0.00 70.33 67.98 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 -0.48 -0.41 2.58 3.38 0.00 -1.05 -1.89 105.19 107.33 1kee n GLY 341 Ca 0.43 -0.02 -0.09 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 -1.26 0.95 0.13 -0.02 0.00 -0.62 -4.87 105.19 99.51 1kee n GLY 342 Ca -0.16 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 0.11 0.34 -6.32 1.61 -0.00 -1.58 -3.44 114.38 105.10 1kee h ARG 343 Ca -0.18 -0.20 -0.45 0.00 -0.50 0.00 0.00 59.98 58.65 1kee h ARG 343 Cb 0.90 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.89 1kee h ARG 343 CO 0.27 0.78 -0.34 0.95 0.00 0.00 0.00 179.97 181.63 1kee s THR 344 N -4.10 3.56 0.72 2.04 -4.23 -1.26 -4.97 115.64 107.39 1kee s THR 344 Ca -0.14 -1.09 -0.08 0.00 -1.18 0.00 0.00 61.69 59.20 1kee s THR 344 Cb 0.05 -3.22 0.06 0.00 1.34 0.00 0.00 72.50 70.72 1kee s THR 344 CO 0.76 -0.10 1.04 -2.16 -0.54 0.00 0.00 174.62 173.62 1kee s PRO 345 N -4.19 2.22 0.27 3.99 0.04 -1.26 0.17 135.00 136.23 1kee s PRO 345 Ca 0.47 -0.15 0.25 0.00 0.04 0.00 0.00 61.00 61.62 1kee s PRO 345 Cb -0.08 -2.13 0.66 0.00 0.04 0.00 0.00 34.50 32.99 1kee s PRO 345 CO 0.31 -1.27 1.71 0.00 0.04 0.00 0.00 177.00 177.79 1kee h ALA 346 N -0.66 0.98 -0.66 8.56 0.00 -0.54 -3.33 119.26 123.60 1kee h ALA 346 Ca -0.45 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.85 1kee h ALA 346 Cb 1.31 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1kee h ALA 346 CO 0.62 0.00 2.08 -1.13 0.00 0.00 0.00 179.25 180.81 1kee n SER 347 N -2.48 4.37 -3.59 0.00 3.41 -0.71 -4.83 113.62 109.80 1kee n SER 347 Ca 0.05 -2.86 -0.04 0.00 -0.26 0.00 0.00 58.87 55.76 1kee n SER 347 Cb 0.46 -1.72 -0.00 0.00 -0.26 0.00 0.00 64.21 62.69 1kee n SER 347 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1kee s PHE 348 N 5.54 -0.06 -0.21 7.33 -0.12 -1.26 -4.95 117.98 124.24 1kee s PHE 348 Ca 0.56 -0.30 -0.03 0.00 -0.05 0.00 0.00 56.93 57.11 1kee s PHE 348 Cb 0.04 0.67 -0.00 0.00 -0.63 0.00 0.00 43.02 43.10 1kee s PHE 348 CO 0.08 -0.91 -0.07 -1.21 -0.05 0.00 0.00 175.22 173.05 1kee s GLU 349 N -2.92 3.28 0.67 1.99 2.02 -1.26 -4.81 118.70 117.67 1kee s GLU 349 Ca 0.15 -0.68 -0.17 0.00 0.02 0.00 0.00 54.97 54.29 1kee s GLU 349 Cb -0.02 -2.92 -0.00 0.00 0.10 0.00 0.00 34.13 31.29 1kee s GLU 349 CO 0.04 -0.21 1.24 -2.30 0.02 0.00 0.00 175.26 174.05 1kee n PRO 350 N 4.76 0.97 -3.94 0.39 -0.02 -1.26 -4.99 135.00 130.90 1kee n PRO 350 Ca -0.19 0.39 -0.20 0.00 -2.02 0.00 0.00 63.50 61.48 1kee n PRO 350 Cb 0.51 -2.48 -0.17 0.00 -0.02 0.00 0.00 33.50 31.34 1kee n PRO 350 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1kee s SER 351 N -1.46 1.10 0.04 2.55 0.15 0.80 -4.94 113.70 111.94 1kee s SER 351 Ca 0.81 -0.08 0.06 0.00 0.70 0.00 0.00 55.95 57.44 1kee s SER 351 Cb -0.37 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.52 1kee s SER 351 CO 0.42 -0.13 -0.13 0.27 1.20 0.00 0.00 173.24 174.87 1kee s ILE 352 N 1.40 3.13 -0.56 6.45 -4.36 -1.26 -0.68 121.20 125.31 1kee s ILE 352 Ca -0.04 -1.10 0.02 0.00 -0.26 0.00 0.00 60.65 59.28 1kee s ILE 352 Cb -0.13 -2.37 0.41 0.00 1.25 0.00 0.00 42.46 41.62 1kee s ILE 352 CO -0.03 0.30 1.53 -0.90 0.24 0.00 0.00 174.94 176.09 1kee n ASP 353 N 1.37 6.01 -3.34 4.36 3.85 -1.26 -4.89 116.55 122.65 1kee n ASP 353 Ca -0.15 -3.77 -0.04 0.00 -0.71 0.00 0.00 54.79 50.11 1kee n ASP 353 Cb 0.52 -0.69 0.01 0.00 -1.35 0.00 0.00 41.12 39.62 1kee n ASP 353 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 1kee s TYR 354 N -3.75 0.05 -0.11 2.11 1.13 -1.26 -4.87 117.35 110.65 1kee s TYR 354 Ca 0.52 -0.49 0.03 0.00 -1.41 0.00 0.00 57.07 55.73 1kee s TYR 354 Cb 0.43 0.72 0.00 0.00 -1.10 0.00 0.00 41.96 42.01 1kee s TYR 354 CO -0.18 -1.03 -0.23 0.08 -2.51 0.00 0.00 175.55 171.67 1kee s VAL 355 N -2.36 2.06 -0.18 -3.49 1.01 0.38 -4.61 120.40 113.21 1kee s VAL 355 Ca 0.19 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1kee s VAL 355 Cb -0.03 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1kee s VAL 355 CO 0.06 0.56 0.03 -0.69 0.00 0.00 0.00 175.10 175.06 1kee s VAL 356 N 0.52 4.50 -0.06 2.92 1.01 -0.73 -1.47 120.40 127.09 1kee s VAL 356 Ca -0.15 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1kee s VAL 356 Cb -0.17 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1kee s VAL 356 CO 0.05 0.46 -0.21 -0.89 0.00 0.00 0.00 175.10 174.51 1kee s THR 357 N 0.44 2.43 -0.06 3.92 2.01 0.21 -1.55 115.64 123.04 1kee s THR 357 Ca 0.01 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.13 1kee s THR 357 Cb -0.13 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 1kee s THR 357 CO 0.01 0.57 -0.24 -0.75 -0.69 0.00 0.00 174.62 173.52 1kee s LYS 358 N -0.33 2.55 -0.07 4.92 2.20 0.11 -0.85 119.74 128.26 1kee s LYS 358 Ca 0.02 -0.89 0.02 0.00 -0.36 0.00 0.00 55.97 54.77 1kee s LYS 358 Cb -0.13 -2.18 0.01 0.00 -1.51 0.00 0.00 37.83 34.02 1kee s LYS 358 CO 0.02 0.40 -0.14 0.42 -0.36 0.00 0.00 175.35 175.69 1kee s ILE 359 N -0.21 1.29 0.50 5.43 1.01 -0.82 -1.65 121.20 126.75 1kee s ILE 359 Ca -0.02 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 59.89 1kee s ILE 359 Cb -0.13 -1.16 -0.08 0.00 0.01 0.00 0.00 42.46 41.09 1kee s ILE 359 CO 0.03 0.39 0.99 -2.16 0.00 0.00 0.00 174.94 174.19 1kee s PRO 360 N 0.65 3.94 -0.15 2.79 0.04 -1.26 -0.99 135.00 140.02 1kee s PRO 360 Ca -0.15 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.94 1kee s PRO 360 Cb -0.16 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 1kee s PRO 360 CO 0.04 -0.28 -0.11 0.50 0.04 0.00 0.00 177.00 177.19 1kee s ARG 361 N -3.77 3.39 0.41 4.56 6.06 0.18 -4.87 118.95 124.91 1kee s ARG 361 Ca 0.61 -0.67 0.07 0.00 -2.50 0.00 0.00 55.73 53.24 1kee s ARG 361 Cb -0.11 -2.72 -0.05 0.00 0.06 0.00 0.00 34.95 32.13 1kee s ARG 361 CO 0.26 0.12 0.17 -0.06 -2.50 0.00 0.00 175.30 173.30 1kee s PHE 362 N 0.60 2.61 -0.31 5.12 0.08 -1.26 0.74 117.98 125.54 1kee s PHE 362 Ca -0.07 -0.59 0.18 0.00 0.12 0.00 0.00 56.93 56.57 1kee s PHE 362 Cb -0.15 -1.95 0.46 0.00 -0.57 0.00 0.00 43.02 40.81 1kee s PHE 362 CO 0.03 0.20 1.20 0.09 -0.10 0.00 0.00 175.22 176.64 1kee n ASN 363 N -1.22 0.36 -0.06 1.36 5.03 -1.26 -4.82 115.26 114.64 1kee n ASN 363 Ca -0.01 -2.30 0.15 0.00 0.87 0.00 0.00 54.58 53.29 1kee n ASN 363 Cb 0.65 -0.02 0.57 0.00 -1.02 0.00 0.00 39.78 39.96 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 2.26 0.29 -0.04 3.10 0.04 -1.93 -2.07 116.94 118.59 1kee h PHE 364 Ca -0.22 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.57 1kee h PHE 364 Cb 1.26 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 39.31 1kee h PHE 364 CO 0.32 0.13 0.04 1.05 -0.60 0.00 0.00 178.31 179.25 1kee h GLU 365 N 0.26 0.00 0.00 1.51 9.09 -1.97 0.15 114.58 123.62 1kee h GLU 365 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 1kee h GLU 365 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1kee h GLU 365 CO -0.06 0.00 -0.18 1.63 0.05 0.00 0.00 179.01 180.45 1kee n LYS 366 N -3.89 0.24 -2.80 1.06 5.02 -0.78 -4.00 118.16 113.01 1kee n LYS 366 Ca -0.02 0.15 -0.26 0.00 -2.02 0.00 0.00 58.31 56.17 1kee n LYS 366 Cb 0.13 -1.74 -0.02 0.00 -0.02 0.00 0.00 35.03 33.38 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 -2.13 3.50 -0.21 2.13 3.72 0.51 -4.97 117.46 120.01 1kee n PHE 367 Ca 0.05 -3.66 -0.01 0.00 -0.05 0.00 0.00 57.45 53.78 1kee n PHE 367 Cb 0.42 -0.35 0.02 0.00 -0.94 0.00 0.00 39.48 38.63 1kee n PHE 367 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kee n ALA 368 N -0.28 -0.09 1.98 4.37 0.00 -1.22 0.23 120.51 125.50 1kee n ALA 368 Ca 0.32 0.55 0.05 0.00 0.00 0.00 0.00 53.44 54.36 1kee n ALA 368 Cb 0.51 -0.23 0.29 0.00 0.00 0.00 0.00 19.45 20.02 1kee n ALA 368 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 369 N -1.25 -0.99 3.86 0.00 0.00 -1.26 -4.90 105.19 100.64 1kee n GLY 369 Ca 0.05 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 3.25 -0.18 4.61 0.00 0.13 -4.35 121.76 123.23 1kee s ALA 370 Ca 0.15 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 1kee s ALA 370 Cb 0.07 -2.86 -0.00 0.00 0.00 0.00 0.00 23.12 20.33 1kee s ALA 370 CO 0.11 0.05 1.09 1.21 0.00 0.00 0.00 175.76 178.22 1kee s ASN 371 N -2.80 7.09 -0.22 0.00 3.84 -1.26 -4.92 114.94 116.68 1kee s ASN 371 Ca 0.55 1.51 0.15 0.00 0.21 0.00 0.00 52.86 55.28 1kee s ASN 371 Cb -0.10 -2.54 0.76 0.00 -0.55 0.00 0.00 41.25 38.81 1kee s ASN 371 CO 0.26 -0.64 1.68 -0.90 -2.79 0.00 0.00 177.10 174.71 1kee n ASP 372 N 6.01 5.32 -4.88 -4.21 5.68 -1.26 -4.94 116.55 118.28 1kee n ASP 372 Ca 0.12 -2.91 -0.34 0.00 -0.50 0.00 0.00 54.79 51.15 1kee n ASP 372 Cb 0.46 -0.65 -0.05 0.00 -1.14 0.00 0.00 41.12 39.74 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 -2.71 3.65 0.18 0.11 1.81 -1.26 -4.24 118.95 116.48 1kee s ARG 373 Ca 0.52 0.01 -0.30 0.00 -1.72 0.00 0.00 55.73 54.24 1kee s ARG 373 Cb 0.40 -3.04 -0.07 0.00 -0.45 0.00 0.00 34.95 31.78 1kee s ARG 373 CO 0.15 0.61 1.02 -0.51 -0.68 0.00 0.00 175.30 175.89 1kee s LEU 374 N -1.86 4.53 0.00 2.53 1.43 0.02 -4.99 118.68 120.34 1kee s LEU 374 Ca 0.30 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1kee s LEU 374 Cb -0.13 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1kee s LEU 374 CO 0.17 -0.08 0.00 1.07 0.23 0.00 0.00 176.35 177.74 1kee n THR 375 N 2.24 0.00 0.86 5.49 5.66 -1.26 -4.84 114.28 122.42 1kee n THR 375 Ca 0.01 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.14 1kee n THR 375 Cb 0.47 0.00 0.27 0.00 -1.55 0.00 0.00 70.33 69.53 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 0.12 -3.64 1.09 -2.24 -1.22 0.13 114.28 108.53 1kee n THR 376 Ca 0.00 -0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.31 1kee n THR 376 Cb 0.00 0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 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 -3.05 3.53 0.39 -0.78 0.74 -1.26 -4.14 119.66 115.08 1kee s GLN 377 Ca 0.10 -0.59 -0.25 0.00 0.05 0.00 0.00 55.36 54.66 1kee s GLN 377 Cb 0.16 -3.59 -0.11 0.00 1.10 0.00 0.00 33.01 30.57 1kee s GLN 377 CO 0.68 -0.34 1.06 -1.33 -0.55 0.00 0.00 175.29 174.81 1kee n MET 378 N 5.01 1.48 0.00 1.67 2.81 -0.49 -4.93 117.12 122.67 1kee n MET 378 Ca -0.14 0.53 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1kee n MET 378 Cb 0.50 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.94 1kee n MET 378 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1kee n LYS 379 N 0.27 1.47 -2.54 0.03 5.02 -1.26 -4.90 118.16 116.25 1kee n LYS 379 Ca 0.09 -0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.99 1kee n LYS 379 Cb 0.38 -0.25 -0.04 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 -0.22 6.62 0.00 4.39 1.04 -1.26 -4.58 113.70 119.69 1kee s SER 380 Ca 0.00 2.01 0.21 0.00 0.48 0.00 0.00 55.95 58.65 1kee s SER 380 Cb 0.00 -2.58 -0.15 0.00 0.10 0.00 0.00 66.02 63.39 1kee s SER 380 CO 0.00 -0.59 0.95 1.33 0.98 0.00 0.00 173.24 175.91 1kee n VAL 381 N -0.36 0.00 -3.21 5.02 0.24 0.23 -4.43 118.33 115.82 1kee n VAL 381 Ca 0.06 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1kee n VAL 381 Cb 0.50 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 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 1.46 0.95 3.54 7.63 0.00 -0.76 -4.54 105.19 113.48 1kee n GLY 382 Ca 0.06 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.19 0.73 0.22 1.61 -1.05 -1.26 0.48 118.70 119.24 1kee s GLU 383 Ca 0.00 0.01 0.10 0.00 -0.15 0.00 0.00 54.97 54.92 1kee s GLU 383 Cb 0.00 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1kee s GLU 383 CO 0.00 -0.26 -0.09 0.54 0.95 0.00 0.00 175.26 176.40 1kee s VAL 384 N -1.80 3.14 0.06 1.83 0.11 -0.16 -4.26 120.40 119.32 1kee s VAL 384 Ca -0.01 -1.84 0.04 0.00 -2.93 0.00 0.00 61.98 57.25 1kee s VAL 384 Cb -0.01 -2.60 -0.03 0.00 -1.53 0.00 0.00 36.38 32.22 1kee s VAL 384 CO -0.01 -0.22 -0.12 -0.32 -3.33 0.00 0.00 175.10 171.10 1kee s MET 385 N -3.15 0.72 0.03 1.54 0.00 -0.57 -1.94 119.30 115.93 1kee s MET 385 Ca 0.27 -0.87 -0.03 0.00 0.00 0.00 0.00 55.69 55.06 1kee s MET 385 Cb -0.08 -0.64 -0.02 0.00 0.00 0.00 0.00 34.83 34.09 1kee s MET 385 CO 0.16 0.14 0.03 0.00 0.00 0.00 0.00 175.02 175.35 1kee s ALA 386 N -1.29 0.06 -0.07 4.11 0.00 -0.03 -4.83 121.76 119.72 1kee s ALA 386 Ca -0.05 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.35 1kee s ALA 386 Cb -0.10 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 1kee s ALA 386 CO 0.02 -0.25 -0.23 0.42 0.00 0.00 0.00 175.76 175.71 1kee s ILE 387 N -2.23 1.94 0.05 0.00 1.01 -1.26 -0.62 121.20 120.09 1kee s ILE 387 Ca -0.08 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 1kee s ILE 387 Cb -0.04 -1.66 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 1kee s ILE 387 CO -0.03 0.54 0.17 -0.83 0.00 0.00 0.00 174.94 174.78 1kee s GLY 388 N 0.09 0.09 0.11 6.18 0.00 -0.54 -4.69 107.32 108.55 1kee s GLY 388 Ca -0.10 -0.47 0.21 0.00 0.00 0.00 0.00 44.72 44.37 1kee s GLY 388 CO 0.06 -0.64 1.66 0.54 0.00 0.00 0.00 173.10 174.72 1kee n ARG 389 N 0.46 0.09 -3.97 2.90 5.12 -1.26 -0.47 116.66 119.54 1kee n ARG 389 Ca -0.18 0.26 -0.09 0.00 -1.93 0.00 0.00 57.85 55.91 1kee n ARG 389 Cb 0.60 -1.65 -0.09 0.00 -1.16 0.00 0.00 32.46 30.15 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 -3.11 0.15 0.23 0.55 -4.23 -1.26 -4.60 115.64 103.38 1kee s THR 390 Ca 0.08 -1.27 -0.06 0.00 -1.18 0.00 0.00 61.69 59.25 1kee s THR 390 Cb 0.11 -1.04 0.18 0.00 1.34 0.00 0.00 72.50 73.10 1kee s THR 390 CO 0.39 -0.70 1.77 -0.61 -0.54 0.00 0.00 174.62 174.92 1kee h GLN 391 N 3.54 0.54 -0.59 3.99 5.75 -1.90 0.19 115.11 126.63 1kee h GLN 391 Ca -0.33 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.12 1kee h GLN 391 Cb 1.18 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.58 1kee h GLN 391 CO 0.54 0.36 0.29 1.96 -2.65 0.00 0.00 178.83 179.32 1kee h GLN 392 N 0.56 0.85 -0.39 1.69 4.20 -1.95 0.84 115.11 120.90 1kee h GLN 392 Ca 0.36 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 1kee h GLN 392 Cb 0.43 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1kee h GLN 392 CO -0.30 0.68 0.04 1.49 -0.67 0.00 0.00 178.83 180.07 1kee h GLU 393 N 0.80 0.67 -0.18 1.46 4.81 -1.44 -1.82 114.58 118.88 1kee h GLU 393 Ca 0.20 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1kee h GLU 393 Cb 0.11 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1kee h GLU 393 CO -0.03 0.74 0.11 1.03 -0.73 0.00 0.00 179.01 180.14 1kee h SER 394 N 0.51 0.21 -0.27 1.04 0.87 -0.35 -1.26 113.55 114.30 1kee h SER 394 Ca 0.12 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1kee h SER 394 Cb 0.41 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1kee h SER 394 CO 0.01 0.19 0.09 0.25 -0.53 0.00 0.00 176.83 176.84 1kee h LEU 395 N 0.22 0.39 -0.75 2.23 5.85 -0.84 -1.56 115.31 120.86 1kee h LEU 395 Ca 0.07 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 1kee h LEU 395 Cb 0.01 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1kee h LEU 395 CO -0.01 0.48 0.15 1.56 -0.34 0.00 0.00 178.44 180.28 1kee h GLN 396 N 0.28 1.10 -0.64 1.25 4.20 -1.27 -1.44 115.11 118.58 1kee h GLN 396 Ca 0.09 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1kee h GLN 396 Cb 0.23 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1kee h GLN 396 CO -0.00 0.98 0.22 0.87 -0.67 0.00 0.00 178.83 180.23 1kee h LYS 397 N 1.04 0.98 -0.81 1.46 1.57 -1.05 -2.00 116.57 117.76 1kee h LYS 397 Ca 0.21 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1kee h LYS 397 Cb 0.38 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 1kee h LYS 397 CO 0.00 0.85 0.52 0.00 -0.57 0.00 0.00 179.45 180.25 1kee h ALA 398 N 1.09 1.06 -0.43 3.86 0.00 -0.84 -2.10 119.26 121.91 1kee h ALA 398 Ca 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1kee h ALA 398 Cb 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1kee h ALA 398 CO -0.01 0.34 0.11 -0.07 0.00 0.00 0.00 179.25 179.63 1kee h LEU 399 N 1.01 0.65 -0.27 0.00 3.38 -1.01 -2.38 115.31 116.69 1kee h LEU 399 Ca 0.32 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1kee h LEU 399 Cb 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1kee h LEU 399 CO -0.11 0.71 0.00 -2.11 0.09 0.00 0.00 178.44 177.01 1kee n ARG 400 N -4.54 0.11 -0.04 1.13 1.85 -0.78 -2.67 116.66 111.72 1kee n ARG 400 Ca 0.00 0.28 0.11 0.00 -1.00 0.00 0.00 57.85 57.24 1kee n ARG 400 Cb 0.20 -1.68 0.11 0.00 -1.05 0.00 0.00 32.46 30.04 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 0.35 0.94 0.21 2.89 0.00 -0.81 -4.47 105.19 104.30 1kee n GLY 401 Ca 0.04 -0.63 0.15 0.00 0.00 0.00 0.00 46.02 45.58 1kee n GLY 401 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1kee h LEU 402 N 4.16 0.00 1.05 0.99 5.85 -1.22 -3.40 115.31 122.74 1kee h LEU 402 Ca 0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1kee h LEU 402 Cb 0.90 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.94 1kee h LEU 402 CO 0.00 0.00 -0.31 -0.62 -0.34 0.00 0.00 178.44 177.17 1kee n GLU 403 N -2.71 -1.72 -0.13 1.25 -0.58 -1.26 -4.74 120.64 110.74 1kee n GLU 403 Ca 0.01 0.53 0.06 0.00 -0.42 0.00 0.00 57.16 57.35 1kee n GLU 403 Cb 0.29 -4.62 0.13 0.00 -0.57 0.00 0.00 31.44 26.67 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 -3.98 0.74 -0.27 2.62 0.24 -1.26 -4.94 118.33 111.47 1kee n VAL 404 Ca -0.10 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.33 1kee n VAL 404 Cb 0.59 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 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 0.57 0.71 3.88 7.63 0.00 -1.26 -5.05 105.19 111.66 1kee n GLY 405 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.60 3.33 -0.36 4.61 0.00 -1.26 -4.96 121.76 120.53 1kee s ALA 406 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.77 1kee s ALA 406 Cb 0.00 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.43 1kee s ALA 406 CO 0.00 -0.09 0.66 0.25 0.00 0.00 0.00 175.76 176.58 1kee n THR 407 N -1.49 0.14 0.00 0.00 -2.24 -1.26 -4.44 114.28 104.99 1kee n THR 407 Ca 0.02 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1kee n THR 407 Cb 0.54 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.11 -0.00 2.67 3.38 0.00 -1.26 -4.26 105.19 105.83 1kee n GLY 408 Ca 0.02 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 2.73 -2.22 1.61 3.01 -1.26 -4.87 117.46 116.46 1kee n PHE 409 Ca 0.00 -2.80 -0.40 0.00 1.01 0.00 0.00 57.45 55.26 1kee n PHE 409 Cb 0.00 -1.87 -0.03 0.00 -0.01 0.00 0.00 39.48 37.58 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 0.52 6.88 0.53 4.37 1.01 -1.26 -4.96 116.67 123.77 1kee s ASP 410 Ca 0.46 2.56 -0.20 0.00 0.71 0.00 0.00 52.55 56.08 1kee s ASP 410 Cb 0.14 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.37 1kee s ASP 410 CO -0.04 -0.44 1.17 -2.16 0.21 0.00 0.00 175.17 173.91 1kee s PRO 411 N -1.73 3.35 -0.20 8.23 0.04 -1.26 -4.91 135.00 138.52 1kee s PRO 411 Ca 0.48 1.74 0.01 0.00 0.04 0.00 0.00 61.00 63.27 1kee s PRO 411 Cb -0.37 -2.10 -0.13 0.00 0.04 0.00 0.00 34.50 31.94 1kee s PRO 411 CO 0.49 -0.88 -0.18 1.17 0.04 0.00 0.00 177.00 177.64 1kee n LYS 412 N -1.15 0.49 -4.27 4.56 3.00 -1.26 -5.01 118.16 114.52 1kee n LYS 412 Ca 0.11 0.12 -0.26 0.00 -0.00 0.00 0.00 58.31 58.28 1kee n LYS 412 Cb 0.50 -1.39 -0.08 0.00 0.00 0.00 0.00 35.03 34.06 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 -2.39 3.41 0.26 3.15 -7.23 -1.26 -5.11 120.40 111.22 1kee s VAL 413 Ca -0.27 -1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 58.01 1kee s VAL 413 Cb 0.07 -2.74 -0.09 0.00 0.56 0.00 0.00 36.38 34.19 1kee s VAL 413 CO 0.45 -0.18 0.84 -0.55 -0.31 0.00 0.00 175.10 175.35 1kee s SER 414 N -3.09 7.26 0.42 4.85 0.15 -1.26 -4.96 113.70 117.07 1kee s SER 414 Ca 0.27 1.66 0.12 0.00 0.70 0.00 0.00 55.95 58.70 1kee s SER 414 Cb -0.08 -2.51 0.90 0.00 -1.71 0.00 0.00 66.02 62.62 1kee s SER 414 CO 0.17 0.02 1.95 -0.07 1.20 0.00 0.00 173.24 176.52 1kee h LEU 415 N 3.49 0.10 -3.61 3.45 3.38 -1.99 -2.89 115.31 117.23 1kee h LEU 415 Ca -0.47 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.22 1kee h LEU 415 Cb 1.19 -0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.76 1kee h LEU 415 CO 0.65 0.27 0.34 -0.90 0.09 0.00 0.00 178.44 178.89 1kee n ASP 416 N -4.30 4.43 -4.66 -0.43 3.85 -1.26 -4.89 116.55 109.29 1kee n ASP 416 Ca -0.02 -3.20 -0.39 0.00 -0.71 0.00 0.00 54.79 50.48 1kee n ASP 416 Cb 0.26 -0.75 -0.07 0.00 -1.35 0.00 0.00 41.12 39.21 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 -0.93 6.50 0.27 -1.12 3.68 -1.09 -4.96 116.67 119.02 1kee s ASP 417 Ca 0.51 0.59 -0.00 0.00 2.13 0.00 0.00 52.55 55.78 1kee s ASP 417 Cb 0.41 -2.27 0.38 0.00 -1.45 0.00 0.00 42.92 40.00 1kee s ASP 417 CO 0.12 -0.14 1.76 1.55 0.13 0.00 0.00 175.17 178.59 1kee h PRO 418 N 7.47 0.68 0.00 4.34 0.13 -1.90 -3.03 132.00 139.69 1kee h PRO 418 Ca -0.34 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1kee h PRO 418 Cb 1.16 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1kee h PRO 418 CO 0.73 0.75 -0.17 0.93 -0.23 0.00 0.00 178.00 180.00 1kee h GLU 419 N 0.63 0.00 -0.67 0.86 5.08 -1.96 -3.40 114.58 115.12 1kee h GLU 419 Ca 0.12 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.64 1kee h GLU 419 Cb 0.50 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.62 1kee h GLU 419 CO 0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 179.01 177.97 1kee n ALA 420 N -2.00 0.26 0.23 3.43 0.00 -1.15 0.83 120.51 122.13 1kee n ALA 420 Ca 0.04 0.73 0.08 0.00 0.00 0.00 0.00 53.44 54.29 1kee n ALA 420 Cb 0.50 -0.49 0.56 0.00 0.00 0.00 0.00 19.45 20.02 1kee n ALA 420 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1kee h LEU 421 N 0.00 0.00 -0.11 0.00 3.38 -1.82 -0.56 115.31 116.20 1kee h LEU 421 Ca 0.37 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.19 1kee h LEU 421 Cb 0.68 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.44 1kee h LEU 421 CO -0.66 0.19 -0.53 0.74 0.09 0.00 0.00 178.44 178.27 1kee h THR 422 N 0.00 1.35 -0.21 0.22 2.02 0.12 -1.81 112.91 114.60 1kee h THR 422 Ca -0.00 -1.84 -0.03 0.00 0.77 0.00 0.00 66.41 65.31 1kee h THR 422 Cb 0.40 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1kee h THR 422 CO 0.03 0.56 -0.00 0.11 0.37 0.00 0.00 175.52 176.58 1kee h LYS 423 N 0.17 0.37 -0.54 6.66 1.57 -1.25 -2.21 116.57 121.34 1kee h LYS 423 Ca -0.04 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1kee h LYS 423 Cb 1.17 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.39 1kee h LYS 423 CO 0.11 0.57 0.22 0.82 -0.57 0.00 0.00 179.45 180.60 1kee h ILE 424 N 0.14 0.85 -0.63 1.86 2.04 -1.16 -0.26 117.51 120.35 1kee h ILE 424 Ca 0.06 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1kee h ILE 424 Cb 0.40 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1kee h ILE 424 CO 0.01 0.08 0.37 -0.09 0.00 0.00 0.00 178.15 178.51 1kee h ARG 425 N 0.42 0.68 0.32 2.37 2.43 -1.20 -0.99 114.38 118.41 1kee h ARG 425 Ca 0.26 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1kee h ARG 425 Cb 0.26 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1kee h ARG 425 CO -0.24 0.45 -0.17 -0.09 -1.51 0.00 0.00 179.97 178.41 1kee h ARG 426 N 0.70 -0.44 0.00 0.20 1.12 -0.72 -0.79 114.38 114.45 1kee h ARG 426 Ca 0.27 0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.16 1kee h ARG 426 Cb 0.10 0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.16 1kee h ARG 426 CO -0.14 -0.29 -0.05 0.93 -3.11 0.00 0.00 179.97 177.31 1kee h GLU 427 N -0.46 0.00 0.13 0.20 4.39 -0.89 0.21 114.58 118.16 1kee h GLU 427 Ca -0.04 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.34 1kee h GLU 427 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1kee h GLU 427 CO 0.05 0.05 -1.70 -0.07 -1.16 0.00 0.00 179.01 176.18 1kee h LEU 428 N 0.00 0.42 -0.16 1.33 4.07 -0.97 -3.32 115.31 116.68 1kee h LEU 428 Ca -0.00 -0.88 -0.07 0.00 0.08 0.00 0.00 57.88 57.00 1kee h LEU 428 Cb 0.12 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 1kee h LEU 428 CO 0.01 1.74 -0.19 0.50 -1.08 0.00 0.00 178.44 179.42 1kee h LYS 429 N -0.13 0.41 -3.31 1.13 3.64 -0.83 -3.34 116.57 114.14 1kee h LYS 429 Ca -0.36 -0.23 -0.64 0.00 -1.27 0.00 0.00 60.65 58.15 1kee h LYS 429 Cb 1.90 0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 33.33 1kee h LYS 429 CO 0.07 0.80 -0.57 -0.51 -2.27 0.00 0.00 179.45 176.97 1kee s ASP 430 N -6.22 4.59 0.22 4.20 1.11 0.72 -4.89 116.67 116.40 1kee s ASP 430 Ca -0.14 -3.26 -0.32 0.00 0.18 0.00 0.00 52.55 49.02 1kee s ASP 430 Cb 0.06 -1.67 -0.14 0.00 1.07 0.00 0.00 42.92 42.24 1kee s ASP 430 CO 0.77 -0.20 1.30 0.00 1.18 0.00 0.00 175.17 178.22 1kee n ALA 431 N 2.80 0.39 -4.15 5.23 0.00 -1.25 -4.51 120.51 119.02 1kee n ALA 431 Ca 0.10 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 1kee n ALA 431 Cb 0.33 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 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 2.04 3.68 0.21 0.00 0.00 -1.26 -0.80 105.19 109.06 1kee n GLY 432 Ca 0.13 -2.26 0.06 0.00 0.00 0.00 0.00 46.02 43.94 1kee n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee h ALA 433 N 1.01 1.28 -0.01 4.61 0.00 -1.96 -3.05 119.26 121.15 1kee h ALA 433 Ca -0.17 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1kee h ALA 433 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1kee h ALA 433 CO 0.28 0.36 -0.05 -0.25 0.00 0.00 0.00 179.25 179.59 1kee n ASP 434 N -3.84 0.58 -0.31 0.00 8.00 -1.26 -4.43 116.55 115.29 1kee n ASP 434 Ca -0.01 -0.91 0.10 0.00 0.71 0.00 0.00 54.79 54.68 1kee n ASP 434 Cb 0.37 -0.04 0.22 0.00 -0.02 0.00 0.00 41.12 41.65 1kee n ASP 434 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1kee h ARG 435 N 0.82 0.04 -0.99 -1.24 2.43 -1.80 0.46 114.38 114.11 1kee h ARG 435 Ca 0.00 -0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.37 1kee h ARG 435 Cb 0.29 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.73 1kee h ARG 435 CO 0.00 0.03 0.62 0.97 -1.51 0.00 0.00 179.97 180.07 1kee h ILE 436 N 0.04 0.69 0.00 1.20 6.09 -1.87 0.95 117.51 124.61 1kee h ILE 436 Ca 0.51 -0.23 -0.17 0.00 -1.37 0.00 0.00 64.86 63.59 1kee h ILE 436 Cb 0.96 -0.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.18 1kee h ILE 436 CO -0.85 0.12 -0.82 -0.50 -3.07 0.00 0.00 178.15 173.03 1kee h TRP 437 N 0.68 0.04 0.00 2.19 6.55 -1.24 -3.13 115.95 121.04 1kee h TRP 437 Ca 0.56 -0.02 -0.02 0.00 0.95 0.00 0.00 58.89 60.37 1kee h TRP 437 Cb 0.99 -0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.28 1kee h TRP 437 CO -0.00 0.84 -0.08 1.88 -1.05 0.00 0.00 178.44 180.02 1kee h TYR 438 N 0.01 0.00 -0.37 0.49 -1.99 -0.66 -2.56 116.97 111.90 1kee h TYR 438 Ca -0.01 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 1kee h TYR 438 Cb 1.45 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.17 1kee h TYR 438 CO 0.00 0.08 -0.07 0.82 -0.00 0.00 0.00 178.16 179.00 1kee h ILE 439 N 0.00 1.27 -0.29 -2.88 2.04 -1.24 0.12 117.51 116.53 1kee h ILE 439 Ca -0.00 -1.12 -0.17 0.00 1.00 0.00 0.00 64.86 64.57 1kee h ILE 439 Cb 0.70 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1kee h ILE 439 CO 0.01 0.37 -0.51 0.00 0.00 0.00 0.00 178.15 178.03 1kee h ALA 440 N 0.84 0.54 -1.01 1.87 0.00 -1.59 -2.39 119.26 117.53 1kee h ALA 440 Ca 0.10 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1kee h ALA 440 Cb 0.57 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1kee h ALA 440 CO 0.03 0.68 0.66 -0.44 0.00 0.00 0.00 179.25 180.19 1kee h ASP 441 N 0.65 1.12 -0.68 0.00 3.45 -1.33 -0.58 116.42 119.04 1kee h ASP 441 Ca 0.03 -0.02 0.04 0.00 0.43 0.00 0.00 57.03 57.51 1kee h ASP 441 Cb 1.10 -0.26 -0.05 0.00 -0.56 0.00 0.00 39.33 39.55 1kee h ASP 441 CO 0.11 0.78 0.41 0.00 -1.57 0.00 0.00 179.24 178.97 1kee h ALA 442 N 1.40 0.90 -0.24 3.45 0.00 -0.51 -0.37 119.26 123.88 1kee h ALA 442 Ca 0.39 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1kee h ALA 442 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1kee h ALA 442 CO -0.11 0.14 -0.28 0.74 0.00 0.00 0.00 179.25 179.74 1kee h PHE 443 N 0.78 0.54 0.00 0.00 0.04 -0.64 -1.91 116.94 115.75 1kee h PHE 443 Ca 0.29 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 1kee h PHE 443 Cb 0.09 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1kee h PHE 443 CO -0.06 0.71 -0.23 0.00 -0.60 0.00 0.00 178.31 178.14 1kee h ARG 444 N 0.42 0.00 -0.01 1.51 3.08 -0.52 -2.89 114.38 115.96 1kee h ARG 444 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1kee h ARG 444 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1kee h ARG 444 CO 0.05 0.23 -0.02 0.00 -1.07 0.00 0.00 179.97 179.16 1kee n ALA 445 N -2.33 2.64 0.00 0.04 0.00 -0.21 -4.92 120.51 115.72 1kee n ALA 445 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1kee n ALA 445 Cb 0.34 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.16 0.44 3.74 0.00 0.00 -1.09 -5.07 105.19 104.36 1kee n GLY 446 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 3.21 0.31 0.99 1.43 -0.92 -5.03 118.68 118.67 1kee s LEU 447 Ca 0.00 2.09 0.07 0.00 -1.03 0.00 0.00 54.13 55.26 1kee s LEU 447 Cb 0.00 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 1kee s LEU 447 CO 0.00 -2.12 0.34 -0.94 0.23 0.00 0.00 176.35 173.86 1kee s SER 448 N -2.62 5.69 0.34 2.29 1.04 -1.26 -4.63 113.70 114.55 1kee s SER 448 Ca 0.68 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.87 1kee s SER 448 Cb -0.22 -1.26 0.66 0.00 0.10 0.00 0.00 66.02 65.29 1kee s SER 448 CO 0.48 -0.28 1.96 0.58 0.98 0.00 0.00 173.24 176.96 1kee h VAL 449 N 1.17 1.07 -0.29 5.02 2.07 -1.96 0.23 116.25 123.56 1kee h VAL 449 Ca -0.47 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 66.60 1kee h VAL 449 Cb 1.25 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1kee h VAL 449 CO 0.57 0.16 -0.44 0.44 0.02 0.00 0.00 177.57 178.32 1kee h ASP 450 N 0.86 0.79 0.11 0.57 3.45 -1.98 -0.39 116.42 119.83 1kee h ASP 450 Ca 0.32 -0.38 -0.01 0.00 0.43 0.00 0.00 57.03 57.39 1kee h ASP 450 Cb 0.16 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 1kee h ASP 450 CO -0.10 1.12 -0.05 1.23 -1.57 0.00 0.00 179.24 179.87 1kee h GLY 451 N 0.91 -0.15 1.35 2.75 0.00 -1.28 -0.72 103.07 105.93 1kee h GLY 451 Ca 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1kee h GLY 451 CO 0.09 -0.06 0.35 -2.08 0.00 0.00 0.00 176.54 174.85 1kee h VAL 452 N -0.21 1.19 -0.35 4.60 2.07 -0.63 -2.46 116.25 120.46 1kee h VAL 452 Ca -0.02 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1kee h VAL 452 Cb 0.17 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1kee h VAL 452 CO 0.02 0.20 0.21 0.15 0.02 0.00 0.00 177.57 178.18 1kee h PHE 453 N 0.87 0.47 -0.44 1.57 3.04 -0.60 -0.62 116.94 121.23 1kee h PHE 453 Ca 0.22 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.17 1kee h PHE 453 Cb 0.00 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.34 1kee h PHE 453 CO 0.00 0.34 0.27 -0.91 -2.02 0.00 0.00 178.31 175.99 1kee h ASN 454 N 0.46 0.51 0.17 0.41 2.35 -0.67 0.24 115.58 119.05 1kee h ASN 454 Ca 0.13 -0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.63 1kee h ASN 454 Cb 0.01 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 38.27 1kee h ASN 454 CO -0.02 0.39 -1.01 -0.07 -1.65 0.00 0.00 177.43 175.07 1kee h LEU 455 N 0.60 0.55 0.02 1.61 3.38 -1.29 -3.41 115.31 116.77 1kee h LEU 455 Ca 0.16 -0.94 -0.35 0.00 0.09 0.00 0.00 57.88 56.84 1kee h LEU 455 Cb -0.03 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 1kee h LEU 455 CO -0.03 1.48 -2.14 0.35 0.09 0.00 0.00 178.44 178.19 1kee n THR 456 N -4.02 1.53 -1.11 0.22 -2.24 -0.26 -4.16 114.28 104.24 1kee n THR 456 Ca -0.15 -0.76 -0.04 0.00 -2.27 0.00 0.00 64.05 60.83 1kee n THR 456 Cb 0.89 -0.99 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 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 -3.04 -3.96 -4.70 3.42 5.03 0.84 -4.65 115.26 108.20 1kee n ASN 457 Ca -0.30 0.09 -0.41 0.00 0.87 0.00 0.00 54.58 54.83 1kee n ASN 457 Cb 1.08 -1.78 -0.04 0.00 -1.02 0.00 0.00 39.78 38.02 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 -1.97 4.94 0.13 2.41 1.01 -1.26 -4.52 121.20 121.95 1kee s ILE 458 Ca 0.00 1.69 -0.34 0.00 0.00 0.00 0.00 60.65 61.99 1kee s ILE 458 Cb 0.00 -4.15 -0.16 0.00 0.01 0.00 0.00 42.46 38.15 1kee s ILE 458 CO 0.00 0.15 1.17 -0.67 0.00 0.00 0.00 174.94 175.59 1kee n ASP 459 N 4.32 1.18 0.01 3.58 2.03 -1.26 -4.74 116.55 121.67 1kee n ASP 459 Ca 0.03 1.14 0.22 0.00 0.52 0.00 0.00 54.79 56.69 1kee n ASP 459 Cb 0.50 -1.17 0.72 0.00 -0.72 0.00 0.00 41.12 40.46 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 3.54 0.00 -0.84 -0.67 3.08 -1.93 -0.12 114.38 117.45 1kee h ARG 460 Ca -0.44 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.70 1kee h ARG 460 Cb 1.35 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.33 1kee h ARG 460 CO 0.71 0.00 0.48 2.35 -1.07 0.00 0.00 179.97 182.44 1kee h TRP 461 N 0.00 0.88 0.04 3.04 7.01 -2.01 0.38 115.95 125.28 1kee h TRP 461 Ca 0.26 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 61.13 1kee h TRP 461 Cb 1.14 -0.27 0.01 0.00 -2.10 0.00 0.00 29.16 27.94 1kee h TRP 461 CO 0.00 0.36 -0.63 0.74 -2.79 0.00 0.00 178.44 176.12 1kee h PHE 462 N 0.81 0.56 -0.77 2.65 0.04 -1.38 -3.35 116.94 115.51 1kee h PHE 462 Ca 0.40 -0.33 0.02 0.00 2.80 0.00 0.00 57.97 60.86 1kee h PHE 462 Cb 0.36 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 1kee h PHE 462 CO -0.06 1.18 0.50 -0.07 -0.60 0.00 0.00 178.31 179.26 1kee h LEU 463 N -0.21 0.84 -1.35 1.54 3.38 -0.89 -2.35 115.31 116.27 1kee h LEU 463 Ca -0.09 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1kee h LEU 463 Cb 1.38 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1kee h LEU 463 CO 0.12 0.59 0.50 -0.37 0.09 0.00 0.00 178.44 179.37 1kee h VAL 464 N 0.99 0.99 -0.69 1.22 -1.51 -1.08 -0.60 116.25 115.57 1kee h VAL 464 Ca 0.30 -0.26 -0.07 0.00 -1.23 0.00 0.00 66.70 65.44 1kee h VAL 464 Cb -0.04 0.17 -0.03 0.00 -2.13 0.00 0.00 31.29 29.26 1kee h VAL 464 CO -0.09 0.14 0.16 1.56 -1.23 0.00 0.00 177.57 178.11 1kee h GLN 465 N 0.76 1.11 -0.30 5.19 4.20 -1.56 0.29 115.11 124.80 1kee h GLN 465 Ca 0.34 -0.26 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 1kee h GLN 465 Cb 0.33 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1kee h GLN 465 CO -0.12 0.98 -0.41 0.82 -0.67 0.00 0.00 178.83 179.43 1kee h ILE 466 N 1.05 1.29 -0.59 2.54 2.04 -1.11 -2.48 117.51 120.25 1kee h ILE 466 Ca 0.22 -1.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 1kee h ILE 466 Cb 0.37 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1kee h ILE 466 CO 0.00 0.51 0.22 -0.08 0.00 0.00 0.00 178.15 178.80 1kee h GLU 467 N 0.59 0.89 -0.79 2.37 4.81 -0.64 -1.94 114.58 119.87 1kee h GLU 467 Ca 0.05 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1kee h GLU 467 Cb 0.95 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 1kee h GLU 467 CO 0.09 0.77 0.49 1.49 -0.73 0.00 0.00 179.01 181.12 1kee h GLU 468 N 0.82 0.89 -0.70 1.92 4.81 -0.81 -0.89 114.58 120.61 1kee h GLU 468 Ca 0.19 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1kee h GLU 468 Cb 0.23 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1kee h GLU 468 CO -0.01 0.59 0.37 -0.07 -0.73 0.00 0.00 179.01 179.15 1kee h LEU 469 N 0.92 0.87 -0.70 1.64 3.38 -1.04 -1.97 115.31 118.41 1kee h LEU 469 Ca 0.33 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1kee h LEU 469 Cb 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1kee h LEU 469 CO -0.15 0.72 0.13 0.58 0.09 0.00 0.00 178.44 179.80 1kee h VAL 470 N 0.98 1.26 -0.70 1.22 2.07 -0.52 -0.47 116.25 120.10 1kee h VAL 470 Ca 0.25 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1kee h VAL 470 Cb 0.05 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1kee h VAL 470 CO -0.04 0.39 0.44 0.03 0.02 0.00 0.00 177.57 178.41 1kee h ARG 471 N 1.05 0.94 -0.51 1.57 2.47 -0.65 0.45 114.38 119.70 1kee h ARG 471 Ca 0.21 -0.07 -0.08 0.00 -1.26 0.00 0.00 59.98 58.77 1kee h ARG 471 Cb 0.43 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 1kee h ARG 471 CO 0.01 0.65 -0.01 -0.07 0.56 0.00 0.00 179.97 181.11 1kee h LEU 472 N 0.95 0.84 -0.75 3.04 3.38 -0.97 -1.63 115.31 120.17 1kee h LEU 472 Ca 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1kee h LEU 472 Cb -0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1kee h LEU 472 CO -0.05 0.91 0.37 -0.33 0.09 0.00 0.00 178.44 179.43 1kee h GLU 473 N 0.81 1.07 -0.76 1.13 5.08 -0.64 -0.19 114.58 121.08 1kee h GLU 473 Ca 0.15 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1kee h GLU 473 Cb 0.49 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1kee h GLU 473 CO 0.02 0.83 0.39 0.93 -1.00 0.00 0.00 179.01 180.18 1kee h GLU 474 N 1.05 1.07 -0.39 2.33 5.08 -0.04 -1.51 114.58 122.16 1kee h GLU 474 Ca 0.26 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 1kee h GLU 474 Cb 0.10 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1kee h GLU 474 CO -0.03 0.80 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.37 1kee h LYS 475 N 1.07 0.82 -0.77 2.33 3.64 -0.75 -2.82 116.57 120.09 1kee h LYS 475 Ca 0.27 -0.36 0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1kee h LYS 475 Cb 0.07 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 1kee h LYS 475 CO -0.04 0.99 0.45 0.28 -2.27 0.00 0.00 179.45 178.86 1kee h VAL 476 N 0.63 0.98 -0.89 2.00 2.07 -0.57 0.36 116.25 120.83 1kee h VAL 476 Ca 0.09 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1kee h VAL 476 Cb 0.74 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1kee h VAL 476 CO 0.06 0.15 0.59 0.00 0.02 0.00 0.00 177.57 178.38 1kee h ALA 477 N 1.39 1.13 0.12 1.67 0.00 -1.22 -1.09 119.26 121.26 1kee h ALA 477 Ca 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1kee h ALA 477 Cb 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1kee h ALA 477 CO -0.19 0.52 -0.06 1.49 0.00 0.00 0.00 179.25 181.01 1kee h GLU 478 N 1.20 -0.16 0.00 0.00 4.81 -1.17 -3.32 114.58 115.94 1kee h GLU 478 Ca 0.33 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1kee h GLU 478 Cb -0.12 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1kee h GLU 478 CO -0.08 0.26 -0.16 -0.39 -0.73 0.00 0.00 179.01 177.91 1kee h VAL 479 N -0.63 0.31 -1.75 0.32 -1.51 -0.91 -3.50 116.25 108.58 1kee h VAL 479 Ca -0.02 -1.24 0.19 0.00 -1.23 0.00 0.00 66.70 64.41 1kee h VAL 479 Cb 0.49 1.98 -0.05 0.00 -2.13 0.00 0.00 31.29 31.58 1kee h VAL 479 CO 0.03 0.16 -0.25 0.61 -1.23 0.00 0.00 177.57 176.88 1kee n GLY 480 N 0.78 -1.95 0.29 5.19 0.00 -0.42 -2.48 105.19 106.59 1kee n GLY 480 Ca 0.02 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.65 0.61 -0.04 -0.61 2.10 -1.84 -0.69 117.51 116.38 1kee h ILE 481 Ca 0.01 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.86 1kee h ILE 481 Cb 0.64 1.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.36 1kee h ILE 481 CO 0.00 0.00 -0.39 0.74 -1.08 0.00 0.00 178.15 177.42 1kee h THR 482 N 0.00 1.29 -0.01 2.19 2.02 -1.97 -2.68 112.91 113.75 1kee h THR 482 Ca 0.00 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.78 1kee h THR 482 Cb 0.00 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1kee h THR 482 CO -0.00 0.41 -0.01 0.61 0.37 0.00 0.00 175.52 176.90 1kee n GLY 483 N -0.34 -0.13 3.10 2.16 0.00 -0.27 -4.60 105.19 105.09 1kee n GLY 483 Ca -0.02 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 0.01 6.06 -4.89 0.99 4.77 -1.01 -4.86 117.00 118.06 1kee n LEU 484 Ca 0.19 -4.20 -0.29 0.00 -0.03 0.00 0.00 56.01 51.68 1kee n LEU 484 Cb 0.33 -1.65 0.01 0.00 -2.33 0.00 0.00 43.42 39.78 1kee n LEU 484 CO 0.17 0.82 0.57 0.54 -1.33 0.00 0.00 177.39 178.17 1kee s ASN 485 N 3.05 6.15 0.27 -1.43 2.20 -1.26 -4.77 114.94 119.15 1kee s ASN 485 Ca 0.47 1.11 -0.04 0.00 -0.94 0.00 0.00 52.86 53.45 1kee s ASN 485 Cb 0.08 -2.27 0.53 0.00 -2.00 0.00 0.00 41.25 37.60 1kee s ASN 485 CO -0.01 -0.77 1.61 0.00 -2.94 0.00 0.00 177.10 175.00 1kee h ALA 486 N -0.06 0.90 -0.08 3.54 0.00 -1.98 0.47 119.26 122.05 1kee h ALA 486 Ca -0.46 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1kee h ALA 486 Cb 1.21 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1kee h ALA 486 CO 0.62 -0.46 0.03 -0.44 0.00 0.00 0.00 179.25 179.00 1kee h ASP 487 N 0.08 0.11 -0.38 0.00 5.19 -1.97 -0.16 116.42 119.29 1kee h ASP 487 Ca 0.47 -0.18 -0.15 0.00 -0.62 0.00 0.00 57.03 56.55 1kee h ASP 487 Cb 0.87 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 1kee h ASP 487 CO -0.76 0.27 -0.36 0.15 -3.12 0.00 0.00 179.24 175.42 1kee h PHE 488 N -0.04 1.09 -0.98 4.55 3.57 -1.66 -2.14 116.94 121.32 1kee h PHE 488 Ca 0.03 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1kee h PHE 488 Cb 0.19 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 1kee h PHE 488 CO -0.01 1.14 0.63 1.25 -2.23 0.00 0.00 178.31 179.09 1kee h LEU 489 N 0.72 1.15 -0.20 0.59 5.85 -0.00 -0.90 115.31 122.52 1kee h LEU 489 Ca 0.06 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1kee h LEU 489 Cb 0.95 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1kee h LEU 489 CO 0.09 0.85 0.09 -0.09 -0.34 0.00 0.00 178.44 179.04 1kee h ARG 490 N 1.34 0.30 -0.99 1.25 2.43 -0.89 -0.80 114.38 117.02 1kee h ARG 490 Ca 0.36 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.54 1kee h ARG 490 Cb -0.12 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.32 1kee h ARG 490 CO -0.07 0.34 0.64 0.37 -1.51 0.00 0.00 179.97 179.74 1kee h GLN 491 N 0.18 1.14 -0.39 0.20 4.15 -1.03 0.89 115.11 120.25 1kee h GLN 491 Ca 0.07 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 1kee h GLN 491 Cb 0.15 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1kee h GLN 491 CO -0.01 0.76 -0.28 -0.07 -1.93 0.00 0.00 178.83 177.30 1kee h LEU 492 N 1.18 0.86 -0.54 -2.39 3.38 -0.77 -2.79 115.31 114.24 1kee h LEU 492 Ca 0.42 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1kee h LEU 492 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1kee h LEU 492 CO -0.16 1.08 -0.12 0.11 0.09 0.00 0.00 178.44 179.44 1kee h LYS 493 N 0.71 1.04 0.00 1.13 1.79 -0.52 -2.10 116.57 118.61 1kee h LYS 493 Ca 0.08 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1kee h LYS 493 Cb 0.82 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1kee h LYS 493 CO 0.07 1.08 0.00 0.00 -1.08 0.00 0.00 179.45 179.52 1kee h ARG 494 N 0.91 0.00 -0.26 3.15 3.08 -0.71 -0.36 114.38 120.19 1kee h ARG 494 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1kee h ARG 494 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1kee h ARG 494 CO 0.05 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.58 1kee n LYS 495 N -2.86 2.00 -0.61 0.04 4.76 -0.88 -4.57 118.16 116.04 1kee n LYS 495 Ca -0.02 -1.51 0.00 0.00 -2.87 0.00 0.00 58.31 53.91 1kee n LYS 495 Cb 0.11 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 1.25 0.75 3.72 0.72 0.00 -0.15 -3.54 105.19 107.95 1kee n GLY 496 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.60 2.96 0.33 1.61 0.08 -0.85 -4.43 117.98 115.09 1kee s PHE 497 Ca 0.00 0.54 -0.21 0.00 0.12 0.00 0.00 56.93 57.38 1kee s PHE 497 Cb 0.00 -4.03 -0.10 0.00 -0.57 0.00 0.00 43.02 38.32 1kee s PHE 497 CO 0.00 -3.79 0.85 0.00 -0.10 0.00 0.00 175.22 172.18 1kee s ALA 498 N 0.98 3.23 0.28 5.36 0.00 -1.26 -4.68 121.76 125.67 1kee s ALA 498 Ca 0.71 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1kee s ALA 498 Cb -0.47 -3.01 0.52 0.00 0.00 0.00 0.00 23.12 20.17 1kee s ALA 498 CO 0.34 0.23 1.86 -0.44 0.00 0.00 0.00 175.76 177.75 1kee h ASP 499 N 2.68 0.95 -0.48 0.00 3.45 -1.93 -0.86 116.42 120.23 1kee h ASP 499 Ca -0.48 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 56.99 1kee h ASP 499 Cb 1.18 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.76 1kee h ASP 499 CO 0.64 0.55 0.22 0.00 -1.57 0.00 0.00 179.24 179.08 1kee h ALA 500 N 1.51 1.41 -0.26 3.45 0.00 -1.91 0.13 119.26 123.60 1kee h ALA 500 Ca 0.46 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 1kee h ALA 500 Cb 0.37 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1kee h ALA 500 CO -0.22 0.45 -0.39 -0.09 0.00 0.00 0.00 179.25 179.00 1kee h ARG 501 N 0.74 0.72 -0.37 0.00 9.65 -1.40 -2.10 114.38 121.62 1kee h ARG 501 Ca 0.18 -0.43 -0.10 0.00 -1.10 0.00 0.00 59.98 58.52 1kee h ARG 501 Cb 0.13 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1kee h ARG 501 CO -0.02 1.05 -0.20 -0.07 2.80 0.00 0.00 179.97 183.54 1kee h LEU 502 N 0.46 0.70 -0.79 3.80 3.38 -1.14 -2.15 115.31 119.57 1kee h LEU 502 Ca 0.02 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1kee h LEU 502 Cb 0.99 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1kee h LEU 502 CO 0.09 0.90 -0.20 0.00 0.09 0.00 0.00 178.44 179.31 1kee h ALA 503 N 1.16 0.96 0.05 1.53 0.00 -0.65 -1.45 119.26 120.87 1kee h ALA 503 Ca 0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1kee h ALA 503 Cb 0.67 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1kee h ALA 503 CO 0.05 0.60 -0.03 0.87 0.00 0.00 0.00 179.25 180.75 1kee h LYS 504 N 0.61 -0.07 -0.96 0.00 1.57 -0.94 0.10 116.57 116.88 1kee h LYS 504 Ca 0.09 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1kee h LYS 504 Cb 0.68 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 1kee h LYS 504 CO 0.05 0.10 0.62 -0.07 -0.57 0.00 0.00 179.45 179.58 1kee h LEU 505 N -0.22 1.02 -0.20 2.94 3.38 -1.31 -2.15 115.31 118.77 1kee h LEU 505 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1kee h LEU 505 Cb 0.20 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1kee h LEU 505 CO 0.01 0.69 -0.21 0.00 0.09 0.00 0.00 178.44 179.02 1kee n ALA 506 N -2.36 2.94 -2.77 1.53 0.00 -0.56 -4.24 120.51 115.06 1kee n ALA 506 Ca 0.13 -0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 1kee n ALA 506 Cb 0.12 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.33 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 1.37 0.47 3.29 0.00 0.00 -0.04 -4.42 105.19 105.88 1kee n GLY 507 Ca 0.11 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.32 0.00 -3.12 1.61 0.24 0.15 -5.03 118.33 108.85 1kee n VAL 508 Ca -0.00 -2.36 -0.34 0.00 -2.04 0.00 0.00 64.34 59.60 1kee n VAL 508 Cb 0.52 0.89 -0.06 0.00 -1.47 0.00 0.00 33.84 33.73 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 -3.51 4.10 0.27 7.34 0.52 -1.26 -4.33 118.95 122.08 1kee s ARG 509 Ca 0.23 0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 56.18 1kee s ARG 509 Cb 0.01 -2.61 0.48 0.00 0.52 0.00 0.00 34.95 33.34 1kee s ARG 509 CO 0.16 0.25 1.83 1.49 0.02 0.00 0.00 175.30 179.06 1kee h GLU 510 N 2.73 0.91 0.00 3.54 4.81 -1.90 0.21 114.58 124.89 1kee h GLU 510 Ca -0.48 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1kee h GLU 510 Cb 1.18 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 1kee h GLU 510 CO 0.65 0.60 -0.01 0.00 -0.73 0.00 0.00 179.01 179.52 1kee h ALA 511 N 1.50 1.33 -0.04 2.92 0.00 -1.92 -0.79 119.26 122.26 1kee h ALA 511 Ca 0.45 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.17 1kee h ALA 511 Cb 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1kee h ALA 511 CO -0.25 0.01 -0.79 0.93 0.00 0.00 0.00 179.25 179.15 1kee h GLU 512 N 0.00 0.33 -0.24 0.00 5.08 -0.94 -1.19 114.58 117.62 1kee h GLU 512 Ca -0.00 -0.30 -0.20 0.00 -1.00 0.00 0.00 59.36 57.87 1kee h GLU 512 Cb 0.03 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1kee h GLU 512 CO 0.00 0.96 -0.62 0.82 -1.00 0.00 0.00 179.01 179.17 1kee h ILE 513 N 0.21 1.28 -0.68 3.13 1.08 -1.17 -1.94 117.51 119.42 1kee h ILE 513 Ca -0.04 -1.81 0.00 0.00 -0.39 0.00 0.00 64.86 62.62 1kee h ILE 513 Cb 1.37 1.77 -0.03 0.00 -3.07 0.00 0.00 36.82 36.86 1kee h ILE 513 CO 0.13 0.58 0.44 -0.09 -0.69 0.00 0.00 178.15 178.52 1kee h ARG 514 N 0.60 0.90 -0.62 2.37 2.43 -1.16 -0.28 114.38 118.62 1kee h ARG 514 Ca -0.01 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1kee h ARG 514 Cb 1.24 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 1kee h ARG 514 CO 0.13 0.61 0.23 0.87 -1.51 0.00 0.00 179.97 180.31 1kee h LYS 515 N 0.92 0.91 -0.52 0.20 1.57 -1.13 -1.08 116.57 117.44 1kee h LYS 515 Ca 0.25 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1kee h LYS 515 Cb -0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 1kee h LYS 515 CO -0.05 0.76 0.16 1.25 -0.57 0.00 0.00 179.45 180.99 1kee h LEU 516 N 0.89 0.76 -0.79 2.94 5.85 -0.72 -1.29 115.31 122.94 1kee h LEU 516 Ca 0.21 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1kee h LEU 516 Cb 0.20 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1kee h LEU 516 CO -0.02 0.77 0.25 0.03 -0.34 0.00 0.00 178.44 179.13 1kee h ARG 517 N 0.71 1.15 -0.89 1.25 3.08 -0.39 -1.60 114.38 117.69 1kee h ARG 517 Ca 0.17 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 60.05 1kee h ARG 517 Cb 0.29 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1kee h ARG 517 CO -0.00 0.97 0.58 -0.44 -1.07 0.00 0.00 179.97 180.00 1kee h ASP 518 N 1.11 0.88 -0.60 7.04 3.32 -0.82 0.27 116.42 127.63 1kee h ASP 518 Ca 0.25 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 1kee h ASP 518 Cb 0.28 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1kee h ASP 518 CO -0.01 0.57 0.29 -0.61 -1.72 0.00 0.00 179.24 177.76 1kee h GLN 519 N 1.00 0.86 -0.01 3.56 4.15 -0.31 -2.50 115.11 121.86 1kee h GLN 519 Ca 0.38 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1kee h GLN 519 Cb 0.21 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1kee h GLN 519 CO -0.14 0.69 -0.09 0.66 -1.93 0.00 0.00 178.83 178.02 1kee n TYR 520 N -4.53 0.00 -3.56 3.99 4.01 -0.81 -4.92 117.16 111.34 1kee n TYR 520 Ca 0.04 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.58 1kee n TYR 520 Cb 0.12 -0.06 0.06 0.00 -0.31 0.00 0.00 39.34 39.16 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 -0.28 -1.91 -4.19 7.72 4.64 0.33 -4.94 116.55 117.91 1kee n ASP 521 Ca 0.17 -0.70 -0.40 0.00 -1.38 0.00 0.00 54.79 52.47 1kee n ASP 521 Cb 0.33 -4.65 -0.07 0.00 -1.04 0.00 0.00 41.12 35.69 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 -6.55 5.78 0.10 -2.67 2.96 0.67 -5.02 118.68 113.94 1kee s LEU 522 Ca 0.04 -2.64 0.08 0.00 -0.22 0.00 0.00 54.13 51.40 1kee s LEU 522 Cb -0.02 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1kee s LEU 522 CO 0.77 -0.49 -0.21 -1.00 -1.32 0.00 0.00 176.35 174.10 1kee s HIS 523 N 0.26 1.82 1.07 5.38 3.76 -1.26 -4.61 115.29 121.71 1kee s HIS 523 Ca 0.15 -0.41 -0.16 0.00 -0.15 0.00 0.00 55.06 54.49 1kee s HIS 523 Cb -0.18 -1.00 0.23 0.00 1.11 0.00 0.00 32.58 32.74 1kee s HIS 523 CO -0.05 0.21 1.14 -1.25 -0.85 0.00 0.00 174.74 173.94 1kee s PRO 524 N -1.88 -0.19 0.33 8.40 0.04 -1.26 -4.87 135.00 135.57 1kee s PRO 524 Ca 0.07 0.09 0.10 0.00 0.04 0.00 0.00 61.00 61.30 1kee s PRO 524 Cb -0.10 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 1kee s PRO 524 CO 0.04 -3.06 -0.10 0.14 0.04 0.00 0.00 177.00 174.06 1kee s VAL 525 N -3.15 2.34 -0.09 -0.36 -7.23 0.24 -4.91 120.40 107.23 1kee s VAL 525 Ca 0.69 -2.21 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1kee s VAL 525 Cb -0.12 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 1kee s VAL 525 CO 0.56 -0.24 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.66 1kee s TYR 526 N -2.58 2.75 0.27 2.82 2.02 -1.26 -0.86 117.35 120.50 1kee s TYR 526 Ca 0.32 -0.43 0.10 0.00 -0.37 0.00 0.00 57.07 56.69 1kee s TYR 526 Cb 0.01 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1kee s TYR 526 CO 0.17 -0.04 -0.00 0.15 -1.57 0.00 0.00 175.55 174.26 1kee s LYS 527 N -0.15 2.30 0.05 -0.62 -0.14 -0.46 0.06 119.74 120.80 1kee s LYS 527 Ca -0.01 -1.41 0.06 0.00 -1.36 0.00 0.00 55.97 53.25 1kee s LYS 527 Cb -0.14 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 1kee s LYS 527 CO 0.03 0.36 -0.12 1.03 -0.76 0.00 0.00 175.35 175.90 1kee s ARG 528 N -3.68 2.23 0.10 1.68 0.52 -1.26 -1.54 118.95 117.00 1kee s ARG 528 Ca 0.31 -0.92 -0.27 0.00 -0.52 0.00 0.00 55.73 54.33 1kee s ARG 528 Cb -0.06 -2.32 -0.06 0.00 0.52 0.00 0.00 34.95 33.03 1kee s ARG 528 CO 0.20 0.55 0.86 0.08 0.02 0.00 0.00 175.30 177.00 1kee s VAL 529 N -1.05 4.56 0.00 3.52 1.01 0.26 -4.95 120.40 123.74 1kee s VAL 529 Ca 0.18 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.01 1kee s VAL 529 Cb -0.11 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1kee s VAL 529 CO 0.09 0.37 0.36 -0.90 0.00 0.00 0.00 175.10 175.02 1kee n ASP 530 N 2.59 0.00 0.00 3.32 5.68 -1.26 -4.76 116.55 122.12 1kee n ASP 530 Ca -0.01 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 1kee n ASP 530 Cb 0.49 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 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 -1.03 2.12 -2.24 -1.06 -4.67 114.28 107.41 1kee n THR 531 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 1kee n THR 531 Cb 0.51 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.06 -1.36 -1.12 0.00 0.00 0.14 -2.34 120.51 114.77 1kee n ALA 533 Ca 0.11 0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 1kee n ALA 533 Cb 0.58 -5.09 -0.02 0.00 0.00 0.00 0.00 19.45 14.92 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 -4.89 -0.07 0.18 0.00 0.00 -1.26 -4.89 120.51 109.58 1kee n ALA 534 Ca -0.01 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1kee n ALA 534 Cb 0.56 -0.86 0.29 0.00 0.00 0.00 0.00 19.45 19.44 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 0.29 0.00 -5.29 0.00 4.81 -1.85 -3.43 114.58 109.11 1kee h GLU 535 Ca -0.09 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.73 1kee h GLU 535 Cb 0.47 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 29.62 1kee h GLU 535 CO 0.13 0.40 -0.78 -0.06 -0.73 0.00 0.00 179.01 177.97 1kee s PHE 536 N -3.51 1.19 0.71 0.92 0.40 -1.26 -5.14 117.98 111.28 1kee s PHE 536 Ca 0.01 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 55.80 1kee s PHE 536 Cb 0.10 -0.68 0.02 0.00 0.51 0.00 0.00 43.02 42.97 1kee s PHE 536 CO 0.70 0.04 1.07 0.00 0.70 0.00 0.00 175.22 177.73 1kee s ALA 537 N -1.11 2.55 0.07 5.36 0.00 -1.26 -4.95 121.76 122.42 1kee s ALA 537 Ca -0.01 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.22 1kee s ALA 537 Cb -0.09 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1kee s ALA 537 CO 0.02 -1.34 -0.20 -0.08 0.00 0.00 0.00 175.76 174.16 1kee s THR 538 N -2.90 1.60 -1.44 0.00 -1.32 -1.26 -4.60 115.64 105.71 1kee s THR 538 Ca 0.60 -1.33 0.13 0.00 -1.21 0.00 0.00 61.69 59.89 1kee s THR 538 Cb -0.15 -1.43 0.05 0.00 -1.51 0.00 0.00 72.50 69.46 1kee s THR 538 CO 0.53 0.05 0.83 0.47 -2.21 0.00 0.00 174.62 174.29 1kee n ASP 539 N 1.51 1.77 -4.87 8.08 10.43 -1.25 -4.96 116.55 127.26 1kee n ASP 539 Ca -0.18 -1.38 -0.31 0.00 2.57 0.00 0.00 54.79 55.48 1kee n ASP 539 Cb 0.54 0.24 -0.05 0.00 1.84 0.00 0.00 41.12 43.69 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 -1.38 4.78 -0.74 -3.53 2.01 -1.26 -5.04 115.64 110.47 1kee s THR 540 Ca 0.13 0.70 0.04 0.00 0.31 0.00 0.00 61.69 62.87 1kee s THR 540 Cb 0.11 -3.66 0.24 0.00 0.01 0.00 0.00 72.50 69.20 1kee s THR 540 CO 0.25 -0.28 0.79 0.00 -0.69 0.00 0.00 174.62 174.68 1kee n ALA 541 N -0.67 4.03 -3.87 7.40 0.00 -1.26 -4.97 120.51 121.17 1kee n ALA 541 Ca 0.02 -4.71 -0.34 0.00 0.00 0.00 0.00 53.44 48.42 1kee n ALA 541 Cb 0.53 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.16 3.59 0.31 0.00 5.04 -1.26 -0.20 117.35 122.67 1kee s TYR 542 Ca 0.34 -2.56 0.07 0.00 -2.44 0.00 0.00 57.07 52.49 1kee s TYR 542 Cb 0.07 -2.85 -0.06 0.00 0.35 0.00 0.00 41.96 39.47 1kee s TYR 542 CO -0.05 -0.93 -0.06 -1.64 -1.34 0.00 0.00 175.55 171.53 1kee s MET 543 N 1.06 1.68 0.01 4.97 -1.94 -0.24 -0.58 119.30 124.26 1kee s MET 543 Ca 0.06 -1.87 -0.07 0.00 -1.71 0.00 0.00 55.69 52.10 1kee s MET 543 Cb -0.21 -1.37 -0.00 0.00 2.01 0.00 0.00 34.83 35.27 1kee s MET 543 CO -0.05 0.05 0.12 1.52 -0.01 0.00 0.00 175.02 176.66 1kee s TYR 544 N -2.87 0.07 0.38 -0.03 -0.85 -0.59 -0.17 117.35 113.30 1kee s TYR 544 Ca 0.31 -0.20 -0.05 0.00 -0.52 0.00 0.00 57.07 56.62 1kee s TYR 544 Cb 0.04 -0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.27 1kee s TYR 544 CO 0.14 -0.29 0.65 -1.54 -1.52 0.00 0.00 175.55 172.99 1kee s SER 545 N -1.49 6.37 0.09 -0.18 1.04 -1.26 -1.35 113.70 116.92 1kee s SER 545 Ca -0.14 0.78 -0.26 0.00 0.48 0.00 0.00 55.95 56.81 1kee s SER 545 Cb -0.07 -2.18 0.08 0.00 0.10 0.00 0.00 66.02 63.95 1kee s SER 545 CO 0.01 -0.36 0.90 0.28 0.98 0.00 0.00 173.24 175.05 1kee s THR 546 N -2.37 0.00 -0.85 2.02 -1.32 -0.04 -4.79 115.64 108.29 1kee s THR 546 Ca 0.45 -0.33 -0.09 0.00 -1.21 0.00 0.00 61.69 60.51 1kee s THR 546 Cb -0.10 -1.48 0.22 0.00 -1.51 0.00 0.00 72.50 69.62 1kee s THR 546 CO 0.36 0.00 0.76 -0.31 -2.21 0.00 0.00 174.62 173.22 1kee s TYR 547 N -3.26 3.80 0.00 9.09 2.02 -1.26 0.80 117.35 128.54 1kee s TYR 547 Ca 0.08 -2.43 0.00 0.00 -0.37 0.00 0.00 57.07 54.35 1kee s TYR 547 Cb -0.01 -3.61 0.00 0.00 -0.40 0.00 0.00 41.96 37.94 1kee s TYR 547 CO -0.04 -0.92 0.00 -1.91 -1.57 0.00 0.00 175.55 171.12 1kee n GLU 548 N 3.40 1.66 -0.08 -0.62 2.13 -1.26 -4.83 120.64 121.04 1kee n GLU 548 Ca 0.15 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.91 1kee n GLU 548 Cb 0.42 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.11 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 0.48 -3.24 5.31 -0.58 -1.26 -4.75 120.64 116.61 1kee n GLU 549 Ca 0.00 0.38 -0.39 0.00 -0.42 0.00 0.00 57.16 56.74 1kee n GLU 549 Cb 0.00 -1.57 -0.06 0.00 -0.57 0.00 0.00 31.44 29.24 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 -2.53 4.26 -0.18 3.49 2.12 -1.26 -4.99 118.70 119.61 1kee s GLU 550 Ca -0.21 0.73 -0.08 0.00 0.36 0.00 0.00 54.97 55.77 1kee s GLU 550 Cb 0.03 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 1kee s GLU 550 CO 0.31 0.49 0.08 0.00 -0.54 0.00 0.00 175.26 175.60 1kee n GLU 552 N 3.30 2.76 0.01 0.00 1.02 0.11 -4.72 120.64 123.12 1kee n GLU 552 Ca -0.17 -2.29 -0.12 0.00 -0.02 0.00 0.00 57.16 54.56 1kee n GLU 552 Cb 0.52 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.43 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 1.49 0.06 -6.76 0.62 0.00 -1.95 -3.47 119.26 109.26 1kee h ALA 553 Ca 0.00 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.30 1kee h ALA 553 Cb 0.96 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 1kee h ALA 553 CO 0.07 -0.38 -0.94 0.09 0.00 0.00 0.00 179.25 178.10 1kee n ASN 554 N -5.00 -0.43 -4.63 0.00 3.02 -1.26 -4.86 115.26 102.10 1kee n ASN 554 Ca -0.06 -1.15 -0.41 0.00 -0.03 0.00 0.00 54.58 52.94 1kee n ASN 554 Cb 0.08 -2.36 0.02 0.00 -0.61 0.00 0.00 39.78 36.91 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 -4.52 1.42 -2.08 3.52 -0.05 -1.26 -4.98 135.00 127.04 1kee n PRO 555 Ca -0.29 0.51 -0.33 0.00 -0.05 0.00 0.00 63.50 63.35 1kee n PRO 555 Cb 0.68 -2.15 0.01 0.00 -0.05 0.00 0.00 33.50 31.98 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 -0.77 5.81 -0.00 3.54 1.04 -1.26 -4.95 113.70 117.10 1kee s SER 556 Ca 0.65 1.84 0.03 0.00 0.48 0.00 0.00 55.95 58.95 1kee s SER 556 Cb -0.52 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.02 1kee s SER 556 CO 0.55 -1.15 0.14 0.35 0.98 0.00 0.00 173.24 174.11 1kee n THR 557 N -1.93 0.00 0.40 2.02 -2.24 -1.26 -4.78 114.28 106.49 1kee n THR 557 Ca 0.09 -0.39 -0.16 0.00 -2.27 0.00 0.00 64.05 61.32 1kee n THR 557 Cb 0.53 0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 69.62 1kee n THR 557 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1kee h ASP 558 N 0.00 -0.88 -1.45 3.42 3.45 -2.02 -3.48 116.42 115.46 1kee h ASP 558 Ca 0.00 0.02 -0.49 0.00 0.43 0.00 0.00 57.03 56.99 1kee h ASP 558 Cb 0.09 0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.06 1kee h ASP 558 CO 0.00 -0.51 -0.36 -0.13 -1.57 0.00 0.00 179.24 176.67 1kee s ARG 559 N -5.02 2.53 -0.20 3.56 0.52 -1.26 -5.09 118.95 113.99 1kee s ARG 559 Ca -0.16 -1.55 -0.24 0.00 -0.52 0.00 0.00 55.73 53.27 1kee s ARG 559 Cb 0.02 -2.39 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 1kee s ARG 559 CO 0.47 -0.24 0.77 -1.21 0.02 0.00 0.00 175.30 175.12 1kee s GLU 560 N -4.16 4.24 -0.12 3.54 2.02 -1.26 -4.92 118.70 118.04 1kee s GLU 560 Ca 0.48 0.88 -0.06 0.00 0.02 0.00 0.00 54.97 56.30 1kee s GLU 560 Cb -0.04 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1kee s GLU 560 CO 0.28 -0.35 0.10 0.15 0.02 0.00 0.00 175.26 175.46 1kee s LYS 561 N 2.26 3.38 -0.14 1.61 1.02 -1.26 -1.36 119.74 125.26 1kee s LYS 561 Ca 0.35 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 56.15 1kee s LYS 561 Cb -0.16 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 1kee s LYS 561 CO 0.11 0.73 -0.18 0.42 -0.92 0.00 0.00 175.35 175.50 1kee s ILE 562 N -0.89 1.79 -0.17 2.17 -1.09 -0.65 -0.25 121.20 122.11 1kee s ILE 562 Ca 0.14 -0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 57.65 1kee s ILE 562 Cb -0.12 -1.62 -0.05 0.00 -1.58 0.00 0.00 42.46 39.10 1kee s ILE 562 CO 0.03 0.50 0.18 -0.32 -1.23 0.00 0.00 174.94 174.10 1kee s MET 563 N 1.05 4.09 -0.16 2.79 1.75 -0.21 -1.38 119.30 127.23 1kee s MET 563 Ca -0.03 -0.10 -0.00 0.00 -1.25 0.00 0.00 55.69 54.30 1kee s MET 563 Cb -0.15 -3.38 -0.01 0.00 2.84 0.00 0.00 34.83 34.14 1kee s MET 563 CO -0.05 0.36 -0.14 0.08 -0.65 0.00 0.00 175.02 174.63 1kee s VAL 564 N 0.15 2.82 -0.29 10.11 1.01 0.59 0.07 120.40 134.85 1kee s VAL 564 Ca 0.12 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1kee s VAL 564 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1kee s VAL 564 CO 0.01 0.51 0.23 -0.76 0.00 0.00 0.00 175.10 175.09 1kee s LEU 565 N 0.77 4.13 0.00 3.92 1.43 -1.03 -1.53 118.68 126.38 1kee s LEU 565 Ca -0.05 -0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 1kee s LEU 565 Cb -0.15 -2.18 0.18 0.00 0.03 0.00 0.00 46.19 44.07 1kee s LEU 565 CO 0.01 -0.12 0.89 0.61 0.23 0.00 0.00 176.35 177.98 1kee n GLY 566 N 5.01 -1.80 0.51 -3.19 0.00 -0.23 -3.34 105.19 102.15 1kee n GLY 566 Ca -0.13 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.33 1kee n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 567 N -1.65 4.76 7.00 -0.02 0.00 -1.25 -4.40 105.19 109.65 1kee n GLY 567 Ca 0.12 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.13 2.21 3.79 -0.02 0.00 -1.26 -4.77 105.19 104.00 1kee n GLY 568 Ca 0.20 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 3.54 0.33 1.61 0.04 -1.26 -4.21 135.00 135.05 1kee s PRO 569 Ca 0.00 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.26 1kee s PRO 569 Cb 0.00 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1kee s PRO 569 CO 0.00 -0.67 0.96 -0.80 0.04 0.00 0.00 177.00 176.53 1kee s ASN 570 N -1.93 7.27 0.22 6.66 -0.87 -1.26 -4.93 114.94 120.09 1kee s ASN 570 Ca 0.70 1.87 -0.11 0.00 -1.57 0.00 0.00 52.86 53.75 1kee s ASN 570 Cb -0.20 -2.58 -0.01 0.00 -0.02 0.00 0.00 41.25 38.44 1kee s ASN 570 CO 0.25 -0.12 0.39 -0.13 -2.57 0.00 0.00 177.10 174.92 1kee s ARG 571 N -2.10 1.39 0.06 -0.60 3.00 -1.09 -3.68 118.95 115.93 1kee s ARG 571 Ca 0.51 -1.24 -0.32 0.00 0.00 0.00 0.00 55.73 54.68 1kee s ARG 571 Cb -0.19 0.43 -0.11 0.00 0.00 0.00 0.00 34.95 35.07 1kee s ARG 571 CO 0.25 -0.55 1.83 -0.89 0.00 0.00 0.00 175.30 175.93 1kee n ILE 572 N -0.32 0.43 0.00 1.52 5.41 -1.26 -0.69 119.36 124.44 1kee n ILE 572 Ca -0.03 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1kee n ILE 572 Cb 0.63 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 1kee n ILE 572 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1kee n GLY 573 N 4.20 3.18 2.47 7.39 0.00 -1.26 -4.91 105.19 116.26 1kee n GLY 573 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.19 2.16 0.00 1.61 1.13 0.13 -4.99 117.38 116.23 1kee n GLN 574 Ca 0.00 -4.28 0.00 0.00 -1.94 0.00 0.00 57.00 50.78 1kee n GLN 574 Cb 0.00 -1.98 0.00 0.00 0.11 0.00 0.00 30.24 28.37 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 0.64 1.36 0.34 1.08 0.00 -1.23 -2.69 105.19 104.69 1kee n GLY 575 Ca 0.28 -1.83 0.21 0.00 0.00 0.00 0.00 46.02 44.68 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 0.05 -0.74 -0.61 2.10 -1.93 -2.84 117.51 113.55 1kee h ILE 576 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 1kee h ILE 576 Cb 0.00 0.92 -0.04 0.00 -1.09 0.00 0.00 36.82 36.62 1kee h ILE 576 CO 0.00 0.00 0.44 -0.33 -1.08 0.00 0.00 178.15 177.18 1kee h GLU 577 N 0.00 1.00 -0.15 2.19 3.07 -1.89 0.28 114.58 119.09 1kee h GLU 577 Ca 0.00 -0.09 -0.18 0.00 -0.50 0.00 0.00 59.36 58.59 1kee h GLU 577 Cb 0.17 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1kee h GLU 577 CO -0.00 0.71 -0.65 0.74 -1.40 0.00 0.00 179.01 178.40 1kee h PHE 578 N 1.00 0.72 -0.65 4.33 0.04 -1.77 -2.91 116.94 117.71 1kee h PHE 578 Ca 0.26 -0.29 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 1kee h PHE 578 Cb -0.04 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 1kee h PHE 578 CO -0.01 1.05 0.21 0.22 -0.60 0.00 0.00 178.31 179.18 1kee h ASP 579 N 0.40 0.93 -0.45 2.17 1.82 -1.54 -1.61 116.42 118.15 1kee h ASP 579 Ca -0.02 -0.20 0.07 0.00 -0.39 0.00 0.00 57.03 56.49 1kee h ASP 579 Cb 1.22 -0.24 -0.06 0.00 0.68 0.00 0.00 39.33 40.93 1kee h ASP 579 CO 0.12 0.89 0.13 0.22 -1.61 0.00 0.00 179.24 178.99 1kee h TYR 580 N 0.93 0.22 -0.26 0.28 5.03 -0.90 -0.17 116.97 122.11 1kee h TYR 580 Ca 0.21 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.54 1kee h TYR 580 Cb 0.28 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1kee h TYR 580 CO 0.02 0.06 0.13 0.00 -1.32 0.00 0.00 178.16 177.04 1kee h VAL 583 N 0.57 1.20 -0.93 0.00 2.07 -0.78 -2.60 116.25 115.78 1kee h VAL 583 Ca 0.39 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1kee h VAL 583 Cb 0.50 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1kee h VAL 583 CO -0.33 0.22 0.60 0.45 0.02 0.00 0.00 177.57 178.53 1kee h HIS 584 N 0.39 1.12 -0.35 1.57 -0.00 -0.74 0.21 115.15 117.34 1kee h HIS 584 Ca 0.11 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.52 1kee h HIS 584 Cb 0.23 -0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 27.25 1kee h HIS 584 CO 0.00 0.63 0.22 0.00 -0.00 0.00 0.00 177.93 178.79 1kee h ALA 585 N 1.39 0.45 0.26 2.45 0.00 -1.16 0.19 119.26 122.84 1kee h ALA 585 Ca 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1kee h ALA 585 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1kee h ALA 585 CO -0.13 -0.11 -0.13 1.03 0.00 0.00 0.00 179.25 179.91 1kee h SER 586 N 0.46 -0.30 0.03 0.00 0.87 -0.93 -1.91 113.55 111.78 1kee h SER 586 Ca 0.13 -0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1kee h SER 586 Cb -0.03 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1kee h SER 586 CO -0.04 -0.11 -0.16 -0.07 -0.53 0.00 0.00 176.83 175.92 1kee h LEU 587 N -0.47 -0.45 -0.18 2.23 3.38 -0.48 -0.74 115.31 118.60 1kee h LEU 587 Ca -0.04 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1kee h LEU 587 Cb 0.35 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1kee h LEU 587 CO 0.06 -0.22 0.01 0.00 0.09 0.00 0.00 178.44 178.38 1kee h ALA 588 N 0.63 0.16 -0.06 1.53 0.00 -0.59 -1.59 119.26 119.34 1kee h ALA 588 Ca 0.04 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1kee h ALA 588 Cb 0.32 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1kee h ALA 588 CO -0.13 -0.43 -0.47 -0.07 0.00 0.00 0.00 179.25 178.16 1kee h LEU 589 N 0.07 0.16 -0.18 0.00 3.38 -1.27 -0.37 115.31 117.10 1kee h LEU 589 Ca 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1kee h LEU 589 Cb 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1kee h LEU 589 CO -0.13 0.61 0.01 -0.09 0.09 0.00 0.00 178.44 178.93 1kee h ARG 590 N 0.12 0.31 -0.78 1.13 2.43 -0.92 0.11 114.38 116.79 1kee h ARG 590 Ca 0.01 -0.09 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1kee h ARG 590 Cb 0.88 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.34 1kee h ARG 590 CO 0.07 0.50 0.51 1.49 -1.51 0.00 0.00 179.97 181.02 1kee h GLU 591 N 0.08 0.71 0.00 0.20 4.57 -1.10 0.42 114.58 119.46 1kee h GLU 591 Ca 0.05 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1kee h GLU 591 Cb 0.35 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1kee h GLU 591 CO 0.01 0.47 0.00 -0.44 -1.18 0.00 0.00 179.01 177.87 1kee h ASP 592 N 0.74 0.00 0.00 1.04 3.45 -0.39 -3.46 116.42 117.79 1kee h ASP 592 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 1kee h ASP 592 Cb 0.40 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 1kee h ASP 592 CO -0.13 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.15 1kee n GLY 593 N 0.22 1.14 3.91 2.75 0.00 0.15 -5.06 105.19 108.30 1kee n GLY 593 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 3.55 -0.33 1.61 2.02 0.22 -4.82 117.35 117.60 1kee s TYR 594 Ca 0.00 0.76 -0.20 0.00 -0.37 0.00 0.00 57.07 57.26 1kee s TYR 594 Cb 0.00 -2.25 -0.00 0.00 -0.40 0.00 0.00 41.96 39.30 1kee s TYR 594 CO 0.00 -0.21 0.63 -2.00 -1.57 0.00 0.00 175.55 172.40 1kee s GLU 595 N -4.60 3.79 -0.08 -0.62 2.12 -0.46 -4.25 118.70 114.59 1kee s GLU 595 Ca 0.47 0.17 -0.14 0.00 0.36 0.00 0.00 54.97 55.83 1kee s GLU 595 Cb -0.10 -3.77 -0.05 0.00 0.26 0.00 0.00 34.13 30.47 1kee s GLU 595 CO 0.43 -0.65 0.34 0.95 -0.54 0.00 0.00 175.26 175.79 1kee s THR 596 N 2.65 5.21 -0.18 -1.70 -4.23 -1.26 -1.63 115.64 114.49 1kee s THR 596 Ca 0.25 0.67 0.01 0.00 -1.18 0.00 0.00 61.69 61.44 1kee s THR 596 Cb -0.15 -3.66 0.03 0.00 1.34 0.00 0.00 72.50 70.06 1kee s THR 596 CO 0.13 0.49 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.90 1kee s ILE 597 N -0.33 1.90 -0.17 2.99 1.01 -0.48 -1.19 121.20 124.93 1kee s ILE 597 Ca 0.20 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 1kee s ILE 597 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1kee s ILE 597 CO 0.09 0.45 0.06 -0.32 0.00 0.00 0.00 174.94 175.21 1kee s MET 598 N 1.34 3.82 -0.29 2.79 1.75 -0.05 -0.30 119.30 128.37 1kee s MET 598 Ca 0.03 -0.34 0.02 0.00 -1.25 0.00 0.00 55.69 54.15 1kee s MET 598 Cb -0.14 -3.15 0.07 0.00 2.84 0.00 0.00 34.83 34.45 1kee s MET 598 CO -0.11 0.36 -0.05 0.08 -0.65 0.00 0.00 175.02 174.65 1kee s VAL 599 N 0.13 2.42 0.12 10.11 1.01 -0.58 -0.48 120.40 133.13 1kee s VAL 599 Ca 0.05 -1.71 -0.25 0.00 0.00 0.00 0.00 61.98 60.06 1kee s VAL 599 Cb -0.12 -2.49 0.07 0.00 0.00 0.00 0.00 36.38 33.84 1kee s VAL 599 CO 0.01 -0.17 0.76 0.21 0.00 0.00 0.00 175.10 175.91 1kee s ASN 600 N 1.14 -0.41 -0.01 3.32 2.47 -0.91 -1.07 114.94 119.46 1kee s ASN 600 Ca -0.04 -0.13 0.12 0.00 0.42 0.00 0.00 52.86 53.23 1kee s ASN 600 Cb -0.20 0.53 0.21 0.00 -1.45 0.00 0.00 41.25 40.34 1kee s ASN 600 CO -0.05 -0.89 1.09 0.00 -3.72 0.00 0.00 177.10 173.53 1kee s ASN 602 N -1.56 6.35 0.42 0.00 3.84 -1.26 -1.51 114.94 121.23 1kee s ASN 602 Ca 0.17 0.17 0.23 0.00 0.21 0.00 0.00 52.86 53.65 1kee s ASN 602 Cb 0.19 -2.27 0.66 0.00 -0.55 0.00 0.00 41.25 39.28 1kee s ASN 602 CO -0.08 -0.41 1.71 1.55 -2.79 0.00 0.00 177.10 177.09 1kee h PRO 603 N 8.31 0.00 0.00 0.43 0.13 -1.91 -3.25 132.00 135.71 1kee h PRO 603 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1kee h PRO 603 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1kee h PRO 603 CO 0.75 0.19 0.00 0.93 -0.23 0.00 0.00 178.00 179.64 1kee h GLU 604 N 0.00 0.00 -6.28 0.86 5.08 -1.89 -3.42 114.58 108.93 1kee h GLU 604 Ca -0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 1kee h GLU 604 Cb 0.91 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1kee h GLU 604 CO 0.02 0.00 -0.36 0.95 -1.00 0.00 0.00 179.01 178.62 1kee s THR 605 N -3.30 4.93 0.27 1.13 -4.23 -1.23 -2.68 115.64 110.53 1kee s THR 605 Ca 0.06 -0.90 0.12 0.00 -1.18 0.00 0.00 61.69 59.79 1kee s THR 605 Cb 0.10 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.21 1kee s THR 605 CO 0.51 -0.32 1.67 0.58 -0.54 0.00 0.00 174.62 176.52 1kee h VAL 606 N 1.02 1.31 0.00 2.29 2.07 -1.90 -2.51 116.25 118.53 1kee h VAL 606 Ca -0.50 -1.87 -0.02 0.00 0.82 0.00 0.00 66.70 65.13 1kee h VAL 606 Cb 1.24 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1kee h VAL 606 CO 0.59 0.52 -0.09 0.77 0.02 0.00 0.00 177.57 179.39 1kee h SER 607 N 0.00 0.00 -0.50 0.57 4.64 -1.91 -1.40 113.55 114.94 1kee h SER 607 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1kee h SER 607 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1kee h SER 607 CO 0.07 0.09 0.00 0.35 -0.87 0.00 0.00 176.83 176.47 1kee n THR 608 N -4.34 0.91 -2.86 2.95 -2.24 -0.95 -4.85 114.28 102.90 1kee n THR 608 Ca -0.03 -0.74 -0.41 0.00 -2.27 0.00 0.00 64.05 60.60 1kee n THR 608 Cb 0.17 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.92 7.03 0.59 3.42 -1.08 -0.53 -4.92 116.67 120.26 1kee s ASP 609 Ca 0.35 1.26 0.29 0.00 -0.52 0.00 0.00 52.55 53.93 1kee s ASP 609 Cb 0.20 -2.47 1.52 0.00 -1.46 0.00 0.00 42.92 40.70 1kee s ASP 609 CO 0.21 -0.37 1.95 0.10 0.52 0.00 0.00 175.17 177.58 1kee h TYR 610 N 7.20 0.00 0.00 -5.34 -0.00 -1.88 -1.55 116.97 115.40 1kee h TYR 610 Ca -0.31 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.40 1kee h TYR 610 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.87 1kee h TYR 610 CO 0.71 0.00 -0.10 -0.44 -0.00 0.00 0.00 178.16 178.32 1kee h ASP 611 N 0.00 0.00 1.24 0.10 3.45 -1.91 -3.27 116.42 116.03 1kee h ASP 611 Ca 0.19 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.62 1kee h ASP 611 Cb 1.01 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.78 1kee h ASP 611 CO -0.00 0.10 -0.11 0.74 -1.57 0.00 0.00 179.24 178.40 1kee h THR 612 N 0.00 0.24 -4.50 0.35 2.02 -1.54 -3.47 112.91 106.02 1kee h THR 612 Ca -0.00 -0.94 -0.22 0.00 0.77 0.00 0.00 66.41 66.01 1kee h THR 612 Cb 0.49 1.77 -0.14 0.00 -1.74 0.00 0.00 68.15 68.52 1kee h THR 612 CO 0.01 0.11 -0.57 -0.94 0.37 0.00 0.00 175.52 174.50 1kee s SER 613 N -6.02 0.13 0.10 4.18 1.04 -1.23 -4.37 113.70 107.53 1kee s SER 613 Ca 0.02 -1.34 -0.07 0.00 0.48 0.00 0.00 55.95 55.05 1kee s SER 613 Cb 0.08 0.40 -0.17 0.00 0.10 0.00 0.00 66.02 66.43 1kee s SER 613 CO 0.62 -0.87 1.23 0.44 0.98 0.00 0.00 173.24 175.64 1kee h ASP 614 N 2.59 0.59 -3.37 7.02 3.45 -1.60 -3.44 116.42 121.66 1kee h ASP 614 Ca -0.35 -0.51 -0.42 0.00 0.43 0.00 0.00 57.03 56.18 1kee h ASP 614 Cb 1.25 -0.18 -0.36 0.00 -0.56 0.00 0.00 39.33 39.48 1kee h ASP 614 CO 0.51 1.33 -0.77 -0.13 -1.57 0.00 0.00 179.24 178.61 1kee s ARG 615 N -3.10 0.75 -0.13 3.56 0.52 -0.34 -4.42 118.95 115.79 1kee s ARG 615 Ca -0.06 -0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 1kee s ARG 615 Cb 0.08 -0.91 -0.00 0.00 0.52 0.00 0.00 34.95 34.64 1kee s ARG 615 CO 0.88 -0.18 -0.19 -1.17 0.02 0.00 0.00 175.30 174.66 1kee s LEU 616 N 1.37 2.33 -0.39 2.53 2.96 0.72 -0.87 118.68 127.32 1kee s LEU 616 Ca -0.04 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.32 1kee s LEU 616 Cb -0.13 -1.50 0.08 0.00 0.50 0.00 0.00 46.19 45.14 1kee s LEU 616 CO -0.02 0.13 0.19 -0.31 -1.32 0.00 0.00 176.35 175.02 1kee s TYR 617 N 0.54 3.40 -1.22 5.38 1.51 0.37 -1.08 117.35 126.24 1kee s TYR 617 Ca -0.12 -1.85 -0.16 0.00 -1.01 0.00 0.00 57.07 53.93 1kee s TYR 617 Cb -0.16 -2.87 0.12 0.00 -0.11 0.00 0.00 41.96 38.93 1kee s TYR 617 CO 0.04 -0.87 1.55 0.12 -1.11 0.00 0.00 175.55 175.27 1kee s PHE 618 N 1.31 3.14 0.14 2.71 2.19 0.76 -2.14 117.98 126.09 1kee s PHE 618 Ca 0.03 -1.83 0.01 0.00 0.33 0.00 0.00 56.93 55.47 1kee s PHE 618 Cb -0.22 -4.52 -0.04 0.00 -1.31 0.00 0.00 43.02 36.93 1kee s PHE 618 CO -0.00 -1.60 0.00 -1.21 1.83 0.00 0.00 175.22 174.24 1kee s GLU 619 N 2.89 0.98 0.19 10.12 0.41 -1.07 -4.61 118.70 127.61 1kee s GLU 619 Ca 0.47 -1.45 -0.32 0.00 -0.41 0.00 0.00 54.97 53.26 1kee s GLU 619 Cb 0.00 -0.09 -0.11 0.00 -1.78 0.00 0.00 34.13 32.15 1kee s GLU 619 CO 0.02 -0.15 1.68 -2.14 -0.49 0.00 0.00 175.26 174.18 1kee s PRO 620 N -3.94 4.16 -1.36 0.39 0.02 -1.26 -3.61 135.00 129.39 1kee s PRO 620 Ca 0.21 2.52 -0.14 0.00 0.02 0.00 0.00 61.00 63.61 1kee s PRO 620 Cb 0.06 -3.14 0.08 0.00 0.02 0.00 0.00 34.50 31.53 1kee s PRO 620 CO 0.01 -0.71 1.94 0.28 -0.33 0.00 0.00 177.00 178.19 1kee n VAL 621 N 4.04 3.83 -4.46 3.83 0.31 -1.26 -4.49 118.33 120.13 1kee n VAL 621 Ca 0.15 -3.75 -0.22 0.00 -0.01 0.00 0.00 64.34 60.52 1kee n VAL 621 Cb 0.36 -2.48 -0.10 0.00 -0.91 0.00 0.00 33.84 30.71 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 2.85 1.75 0.09 2.52 -4.23 -1.26 -4.86 115.64 112.50 1kee s THR 622 Ca 0.47 -2.13 -0.23 0.00 -1.18 0.00 0.00 61.69 58.62 1kee s THR 622 Cb 0.09 -2.51 -0.15 0.00 1.34 0.00 0.00 72.50 71.26 1kee s THR 622 CO -0.01 -0.26 1.72 0.25 -0.54 0.00 0.00 174.62 175.78 1kee h LEU 623 N 2.21 -0.01 0.16 4.79 5.85 -1.96 -0.59 115.31 125.76 1kee h LEU 623 Ca -0.40 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.32 1kee h LEU 623 Cb 1.24 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1kee h LEU 623 CO 0.68 0.01 -0.39 -0.08 -0.34 0.00 0.00 178.44 178.32 1kee h GLU 624 N -0.02 -0.63 -0.57 1.25 4.81 -1.96 -0.19 114.58 117.27 1kee h GLU 624 Ca -0.00 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1kee h GLU 624 Cb 0.02 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1kee h GLU 624 CO 0.00 -0.42 0.31 -0.44 -0.73 0.00 0.00 179.01 177.73 1kee h ASP 625 N -0.65 0.47 -0.41 1.04 5.19 -1.80 -2.29 116.42 117.96 1kee h ASP 625 Ca 0.02 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.35 1kee h ASP 625 Cb 0.66 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 1kee h ASP 625 CO -0.21 0.32 -0.13 0.58 -3.12 0.00 0.00 179.24 176.68 1kee h VAL 626 N 0.60 1.28 -0.45 -1.35 2.07 -0.96 -2.82 116.25 114.62 1kee h VAL 626 Ca 0.25 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1kee h VAL 626 Cb 0.12 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1kee h VAL 626 CO -0.15 0.42 0.25 -0.07 0.02 0.00 0.00 177.57 178.04 1kee h LEU 627 N 0.63 0.53 -1.14 2.57 3.38 -0.75 0.29 115.31 120.83 1kee h LEU 627 Ca 0.10 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1kee h LEU 627 Cb 0.67 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1kee h LEU 627 CO 0.05 0.43 -0.38 -0.33 0.09 0.00 0.00 178.44 178.29 1kee h GLU 628 N 0.61 0.08 -0.02 1.13 4.39 -1.18 -0.96 114.58 118.64 1kee h GLU 628 Ca 0.16 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 1kee h GLU 628 Cb 0.01 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1kee h GLU 628 CO -0.03 0.46 -0.46 0.82 -1.16 0.00 0.00 179.01 178.65 1kee h ILE 629 N 0.07 1.45 -0.35 3.13 2.04 -1.12 -3.13 117.51 119.60 1kee h ILE 629 Ca 0.01 -1.96 0.01 0.00 1.00 0.00 0.00 64.86 63.92 1kee h ILE 629 Cb 0.72 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 1kee h ILE 629 CO 0.05 0.56 0.23 0.58 0.00 0.00 0.00 178.15 179.58 1kee h VAL 630 N -0.19 1.08 -0.84 1.67 2.07 -0.76 -1.05 116.25 118.23 1kee h VAL 630 Ca -0.05 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1kee h VAL 630 Cb 1.16 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1kee h VAL 630 CO 0.09 0.08 0.55 -0.09 0.02 0.00 0.00 177.57 178.22 1kee h ARG 631 N 0.46 0.91 0.00 1.57 2.43 -1.12 -0.90 114.38 117.74 1kee h ARG 631 Ca 0.13 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 1kee h ARG 631 Cb -0.03 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 1kee h ARG 631 CO -0.03 0.60 -2.15 0.44 -1.51 0.00 0.00 179.97 177.33 1kee n ILE 632 N -4.48 0.57 0.09 1.20 -5.35 -0.85 -4.54 119.36 106.00 1kee n ILE 632 Ca 0.13 -0.64 -0.22 0.00 -0.27 0.00 0.00 62.75 61.75 1kee n ILE 632 Cb 0.20 -0.19 -0.15 0.00 -1.74 0.00 0.00 39.64 37.76 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 0.39 -5.99 6.28 4.39 -1.16 -3.46 114.58 115.03 1kee h GLU 633 Ca -0.23 -0.67 -0.38 0.00 0.34 0.00 0.00 59.36 58.42 1kee h GLU 633 Cb 1.51 0.25 0.12 0.00 -0.10 0.00 0.00 28.75 30.52 1kee h GLU 633 CO 0.01 1.30 -0.91 1.63 -1.16 0.00 0.00 179.01 179.88 1kee n LYS 634 N -3.58 -1.84 -0.89 2.33 5.02 -0.35 -4.92 118.16 113.92 1kee n LYS 634 Ca -0.21 0.59 -0.30 0.00 -2.02 0.00 0.00 58.31 56.37 1kee n LYS 634 Cb 1.07 -4.71 0.16 0.00 -0.02 0.00 0.00 35.03 31.54 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 -5.53 1.00 0.07 1.97 0.04 -1.26 -4.83 135.00 126.46 1kee s PRO 635 Ca 0.43 1.20 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 1kee s PRO 635 Cb -0.12 -1.75 -0.21 0.00 0.04 0.00 0.00 34.50 32.46 1kee s PRO 635 CO 0.82 -2.53 1.21 -0.22 0.04 0.00 0.00 177.00 176.33 1kee h LYS 636 N -1.78 0.70 -3.38 4.56 3.64 -0.97 -3.46 116.57 115.87 1kee h LYS 636 Ca -0.48 -0.68 -0.05 0.00 -1.27 0.00 0.00 60.65 58.17 1kee h LYS 636 Cb 1.27 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 33.14 1kee h LYS 636 CO 0.48 1.28 -0.06 0.20 -2.27 0.00 0.00 179.45 179.07 1kee s GLY 637 N -4.21 -0.28 -0.05 5.01 0.00 -1.09 -4.83 107.32 101.88 1kee s GLY 637 Ca -0.10 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.60 1kee s GLY 637 CO 0.90 -0.30 -0.11 0.14 0.00 0.00 0.00 173.10 173.74 1kee s VAL 638 N -3.80 1.00 -0.22 1.40 1.01 0.52 -1.05 120.40 119.25 1kee s VAL 638 Ca 0.03 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 1kee s VAL 638 Cb 0.02 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1kee s VAL 638 CO -0.12 0.31 0.12 -0.63 0.00 0.00 0.00 175.10 174.79 1kee s ILE 639 N 0.45 5.14 -0.28 2.22 1.01 0.11 -0.87 121.20 128.98 1kee s ILE 639 Ca -0.09 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.68 1kee s ILE 639 Cb -0.13 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.98 1kee s ILE 639 CO 0.02 0.39 0.52 1.33 0.00 0.00 0.00 174.94 177.20 1kee n VAL 640 N 4.05 0.00 0.77 2.92 0.24 -1.26 -2.45 118.33 122.60 1kee n VAL 640 Ca -0.16 -0.49 0.12 0.00 -2.04 0.00 0.00 64.34 61.77 1kee n VAL 640 Cb 0.52 1.04 0.25 0.00 -1.47 0.00 0.00 33.84 34.19 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 -0.00 2.22 -0.05 7.34 3.00 -1.26 -3.47 117.38 125.16 1kee n GLN 641 Ca 0.01 -1.82 -0.03 0.00 -0.01 0.00 0.00 57.00 55.15 1kee n GLN 641 Cb 0.06 -1.47 -0.11 0.00 0.00 0.00 0.00 30.24 28.71 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 1.08 0.00 1.04 1.08 4.02 -1.26 -2.04 117.16 121.07 1kee n TYR 642 Ca 0.17 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 58.08 1kee n TYR 642 Cb 0.52 -0.60 0.06 0.00 -0.02 0.00 0.00 39.34 39.30 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 2.00 0.92 5.59 2.72 0.00 -1.21 -4.50 105.19 110.71 1kee n GLY 643 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.33 -1.38 0.20 -0.02 0.00 -1.26 -3.75 105.19 99.32 1kee n GLY 644 Ca 0.04 -1.42 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 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 0.53 -0.20 1.61 1.08 -1.94 -3.12 115.11 113.06 1kee h GLN 645 Ca 0.00 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.21 1kee h GLN 645 Cb 0.00 -0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.24 1kee h GLN 645 CO 0.00 0.35 -0.47 1.15 -0.95 0.00 0.00 178.83 178.91 1kee h THR 646 N 0.55 0.08 0.00 -0.54 2.02 -1.87 0.71 112.91 113.86 1kee h THR 646 Ca 0.20 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.28 1kee h THR 646 Cb 0.06 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1kee h THR 646 CO -0.11 0.00 -0.48 1.55 0.37 0.00 0.00 175.52 176.84 1kee h PRO 647 N -0.49 0.00 -0.63 6.66 0.13 -1.77 -3.02 132.00 132.89 1kee h PRO 647 Ca 0.07 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.15 1kee h PRO 647 Cb 0.64 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 1kee h PRO 647 CO -0.46 0.48 0.18 1.25 -0.23 0.00 0.00 178.00 179.23 1kee h LEU 648 N 0.00 0.93 0.00 1.56 5.85 -1.34 -1.05 115.31 121.25 1kee h LEU 648 Ca -0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1kee h LEU 648 Cb 0.97 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1kee h LEU 648 CO 0.06 0.90 0.00 0.29 -0.34 0.00 0.00 178.44 179.35 1kee n LYS 649 N -4.36 0.11 0.04 1.25 5.02 0.19 -2.38 118.16 118.02 1kee n LYS 649 Ca 0.04 0.20 0.11 0.00 -2.02 0.00 0.00 58.31 56.64 1kee n LYS 649 Cb 0.22 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.39 0.40 -0.33 -0.35 4.77 -0.42 -4.69 117.00 114.99 1kee n LEU 650 Ca 0.05 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1kee n LEU 650 Cb 0.14 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1kee n LEU 650 CO 0.12 -0.07 0.43 0.00 -1.33 0.00 0.00 177.39 176.55 1kee n ALA 651 N -2.18 -0.50 -0.20 -1.18 0.00 -1.00 -1.18 120.51 114.26 1kee n ALA 651 Ca -0.02 0.66 -0.03 0.00 0.00 0.00 0.00 53.44 54.05 1kee n ALA 651 Cb 0.55 -0.05 0.07 0.00 0.00 0.00 0.00 19.45 20.01 1kee n ALA 651 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1kee h ARG 652 N 0.00 0.63 -0.06 0.00 9.65 -1.84 -0.49 114.38 122.27 1kee h ARG 652 Ca 0.13 -0.04 -0.14 0.00 -1.10 0.00 0.00 59.98 58.83 1kee h ARG 652 Cb 0.32 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 1kee h ARG 652 CO -0.73 0.42 -0.59 0.00 2.80 0.00 0.00 179.97 181.86 1kee h ALA 653 N 1.29 0.89 0.25 2.80 0.00 -1.67 -0.83 119.26 122.00 1kee h ALA 653 Ca 0.26 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1kee h ALA 653 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1kee h ALA 653 CO -0.14 0.72 -0.12 -0.07 0.00 0.00 0.00 179.25 179.64 1kee h LEU 654 N 0.15 -0.29 -0.29 0.00 3.38 -0.70 -1.14 115.31 116.43 1kee h LEU 654 Ca -0.00 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1kee h LEU 654 Cb 1.08 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1kee h LEU 654 CO 0.09 -0.01 -0.09 -0.08 0.09 0.00 0.00 178.44 178.44 1kee h GLU 655 N -0.58 -0.02 -0.90 1.13 4.81 -1.08 -0.50 114.58 117.44 1kee h GLU 655 Ca -0.03 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.35 1kee h GLU 655 Cb 0.42 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 1kee h GLU 655 CO 0.06 -0.02 0.58 0.00 -0.73 0.00 0.00 179.01 178.90 1kee h ALA 656 N 1.25 1.84 -0.14 2.92 0.00 -0.98 0.31 119.26 124.46 1kee h ALA 656 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1kee h ALA 656 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1kee h ALA 656 CO -0.31 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 178.84 1kee n ALA 657 N -2.43 2.48 -0.07 0.00 0.00 -0.36 -4.87 120.51 115.26 1kee n ALA 657 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1kee n ALA 657 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 0.75 0.57 3.74 0.00 0.00 0.11 -5.03 105.19 105.34 1kee n GLY 658 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.26 2.73 -1.29 1.61 1.01 -0.34 -4.92 120.40 116.95 1kee s VAL 659 Ca 0.00 0.61 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 1kee s VAL 659 Cb 0.00 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 33.03 1kee s VAL 659 CO 0.00 0.09 1.80 -0.81 0.00 0.00 0.00 175.10 176.18 1kee n PRO 660 N 2.44 2.95 -2.49 2.72 -0.04 -1.26 -4.27 135.00 135.05 1kee n PRO 660 Ca 0.07 -3.12 -0.42 0.00 -0.04 0.00 0.00 63.50 59.99 1kee n PRO 660 Cb 0.40 -3.51 -0.03 0.00 -0.04 0.00 0.00 33.50 30.33 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 5.10 4.32 0.35 0.52 1.01 -1.26 -0.36 120.40 130.09 1kee s VAL 661 Ca 0.56 1.64 0.07 0.00 0.00 0.00 0.00 61.98 64.24 1kee s VAL 661 Cb 0.04 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1kee s VAL 661 CO 0.08 -0.01 0.43 0.27 0.00 0.00 0.00 175.10 175.87 1kee s ILE 662 N 2.30 3.66 0.00 2.22 -4.36 -0.05 -4.82 121.20 120.15 1kee s ILE 662 Ca 0.55 -1.12 0.00 0.00 -0.26 0.00 0.00 60.65 59.82 1kee s ILE 662 Cb -0.24 -3.26 0.00 0.00 1.25 0.00 0.00 42.46 40.22 1kee s ILE 662 CO 0.21 -0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.87 1kee n GLY 663 N -1.60 -1.99 3.62 6.27 0.00 -1.26 -4.63 105.19 105.60 1kee n GLY 663 Ca 0.01 -1.40 -0.61 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.10 0.03 -1.51 2.61 -1.04 -0.53 -4.87 114.28 108.88 1kee n THR 664 Ca 0.00 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.67 1kee n THR 664 Cb 0.00 -0.41 0.08 0.00 -1.82 0.00 0.00 70.33 68.18 1kee n THR 664 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1kee s SER 665 N 1.46 4.47 0.35 8.00 1.04 -1.26 -4.81 113.70 122.95 1kee s SER 665 Ca 0.96 2.20 0.07 0.00 0.48 0.00 0.00 55.95 59.65 1kee s SER 665 Cb -1.29 -2.57 0.76 0.00 0.10 0.00 0.00 66.02 63.02 1kee s SER 665 CO 0.65 -2.07 1.91 -0.65 0.98 0.00 0.00 173.24 174.06 1kee h PRO 666 N -0.29 0.73 -0.36 4.02 0.11 -1.91 0.50 132.00 134.81 1kee h PRO 666 Ca -0.47 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1kee h PRO 666 Cb 1.27 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1kee h PRO 666 CO 0.51 0.48 0.12 0.22 -0.21 0.00 0.00 178.00 179.12 1kee h ASP 667 N 0.75 0.52 -0.67 -2.05 1.82 -1.98 0.16 116.42 114.97 1kee h ASP 667 Ca 0.39 -0.20 -0.05 0.00 -0.39 0.00 0.00 57.03 56.79 1kee h ASP 667 Cb 0.50 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 1kee h ASP 667 CO -0.16 0.58 0.23 0.00 -1.61 0.00 0.00 179.24 178.27 1kee h ALA 668 N 0.96 1.10 -0.03 -0.78 0.00 -1.47 0.47 119.26 119.51 1kee h ALA 668 Ca 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1kee h ALA 668 Cb 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1kee h ALA 668 CO -0.00 0.62 0.02 0.82 0.00 0.00 0.00 179.25 180.71 1kee h ILE 669 N 1.02 1.04 -1.00 0.00 2.04 -0.63 -2.46 117.51 117.51 1kee h ILE 669 Ca 0.23 -0.11 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1kee h ILE 669 Cb 0.27 1.06 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 1kee h ILE 669 CO -0.01 0.03 0.64 -0.78 0.00 0.00 0.00 178.15 178.03 1kee h ASP 670 N 0.01 0.97 -0.82 1.72 1.82 -0.17 0.27 116.42 120.22 1kee h ASP 670 Ca 0.01 0.03 0.08 0.00 -0.39 0.00 0.00 57.03 56.76 1kee h ASP 670 Cb 0.04 -0.17 -0.07 0.00 0.68 0.00 0.00 39.33 39.81 1kee h ASP 670 CO -0.00 0.56 0.48 0.03 -1.61 0.00 0.00 179.24 178.70 1kee h ARG 671 N 1.07 0.81 -0.00 0.28 3.08 -0.45 0.17 114.38 119.33 1kee h ARG 671 Ca 0.47 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.47 1kee h ARG 671 Cb 0.36 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1kee h ARG 671 CO -0.23 0.54 -0.02 0.00 -1.07 0.00 0.00 179.97 179.19 1kee h ALA 672 N 1.42 0.01 0.00 0.04 0.00 -1.02 -2.24 119.26 117.47 1kee h ALA 672 Ca 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kee h ALA 672 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1kee h ALA 672 CO -0.21 -0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.29 1kee n GLU 673 N -4.74 0.12 -3.48 0.00 -0.58 -0.03 -4.41 120.64 107.51 1kee n GLU 673 Ca -0.09 0.21 -0.43 0.00 -0.42 0.00 0.00 57.16 56.43 1kee n GLU 673 Cb 0.35 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.64 1kee n GLU 673 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1kee s ASP 674 N -2.74 5.87 0.47 1.62 2.15 0.57 -4.94 116.67 119.68 1kee s ASP 674 Ca 0.10 -1.72 0.35 0.00 0.43 0.00 0.00 52.55 51.72 1kee s ASP 674 Cb 0.09 -2.08 1.20 0.00 -0.30 0.00 0.00 42.92 41.83 1kee s ASP 674 CO 0.21 -0.70 1.21 -2.11 -0.17 0.00 0.00 175.17 173.62 1kee n ARG 675 N 5.04 0.00 -0.07 4.34 0.00 -1.26 -0.19 116.66 124.52 1kee n ARG 675 Ca -0.11 0.88 -0.21 0.00 -0.00 0.00 0.00 57.85 58.42 1kee n ARG 675 Cb 0.41 -2.08 -0.13 0.00 -0.00 0.00 0.00 32.46 30.67 1kee n ARG 675 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1kee n GLU 676 N -3.35 0.69 -0.07 2.89 2.13 -1.26 -3.25 120.64 118.42 1kee n GLU 676 Ca 0.31 0.24 -0.10 0.00 0.66 0.00 0.00 57.16 58.27 1kee n GLU 676 Cb 1.54 -1.62 -0.03 0.00 0.27 0.00 0.00 31.44 31.60 1kee n GLU 676 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1kee h ARG 677 N -0.11 0.34 0.13 5.31 3.08 -0.80 -2.98 114.38 119.35 1kee h ARG 677 Ca -0.50 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.52 1kee h ARG 677 Cb 1.90 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.85 1kee h ARG 677 CO -0.04 0.29 -0.36 0.35 -1.07 0.00 0.00 179.97 179.14 1kee h PHE 678 N 0.30 -1.03 -1.29 3.04 3.57 -0.25 -1.88 116.94 119.42 1kee h PHE 678 Ca 0.09 0.02 0.38 0.00 3.53 0.00 0.00 57.97 62.00 1kee h PHE 678 Cb 0.04 0.43 -0.10 0.00 2.79 0.00 0.00 35.95 39.11 1kee h PHE 678 CO -0.04 -0.41 0.86 0.37 -2.23 0.00 0.00 178.31 176.86 1kee h GLN 679 N -0.54 0.14 -0.32 1.11 4.15 -1.56 1.08 115.11 119.18 1kee h GLN 679 Ca -0.01 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 1kee h GLN 679 Cb 0.53 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1kee h GLN 679 CO -0.17 0.09 -0.12 0.45 -1.93 0.00 0.00 178.83 177.16 1kee h HIS 680 N 0.15 0.73 -0.21 3.99 3.86 -1.20 -0.67 115.15 121.79 1kee h HIS 680 Ca 0.72 -0.17 -0.05 0.00 -1.16 0.00 0.00 60.37 59.71 1kee h HIS 680 Cb 2.34 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 30.63 1kee h HIS 680 CO -0.00 0.84 -0.06 0.00 0.86 0.00 0.00 177.93 179.57 1kee h ALA 681 N 0.78 0.29 -0.94 2.45 0.00 0.17 0.71 119.26 122.72 1kee h ALA 681 Ca 0.07 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1kee h ALA 681 Cb 0.63 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1kee h ALA 681 CO 0.04 0.09 0.60 0.28 0.00 0.00 0.00 179.25 180.26 1kee h VAL 682 N 0.14 1.10 0.33 0.00 2.07 -0.98 0.25 116.25 119.15 1kee h VAL 682 Ca 0.05 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1kee h VAL 682 Cb 0.52 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1kee h VAL 682 CO 0.02 0.20 -0.46 -0.33 0.02 0.00 0.00 177.57 177.03 1kee h GLU 683 N 1.12 -0.81 -0.85 1.57 5.08 -0.84 -1.26 114.58 118.60 1kee h GLU 683 Ca 0.40 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.98 1kee h GLU 683 Cb 0.12 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.45 1kee h GLU 683 CO -0.16 -0.54 0.41 -0.09 -1.00 0.00 0.00 179.01 177.63 1kee h ARG 684 N -0.84 0.52 0.00 2.33 2.43 0.35 -0.39 114.38 118.78 1kee h ARG 684 Ca -0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1kee h ARG 684 Cb 0.77 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1kee h ARG 684 CO -0.13 0.34 0.00 1.28 -1.51 0.00 0.00 179.97 179.95 1kee n LEU 685 N -4.94 0.00 -3.32 3.80 4.77 0.75 -4.93 117.00 113.13 1kee n LEU 685 Ca 0.18 0.37 -0.16 0.00 -0.03 0.00 0.00 56.01 56.37 1kee n LEU 685 Cb 0.50 -0.37 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 1kee n LEU 685 CO 0.18 -0.03 0.05 0.29 -1.33 0.00 0.00 177.39 176.56 1kee n LYS 686 N -1.37 -3.70 -4.28 3.23 5.02 -0.16 -5.03 118.16 111.87 1kee n LYS 686 Ca 0.11 0.85 -0.25 0.00 -2.02 0.00 0.00 58.31 56.99 1kee n LYS 686 Cb 0.26 -5.81 -0.08 0.00 -0.02 0.00 0.00 35.03 29.38 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 -5.75 3.04 -0.10 -0.35 1.43 -0.95 -5.07 118.68 110.93 1kee s LEU 687 Ca 0.30 -1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.13 1kee s LEU 687 Cb -0.04 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 1kee s LEU 687 CO 0.74 -0.47 0.34 -0.54 0.23 0.00 0.00 176.35 176.65 1kee s LYS 688 N -3.83 4.08 0.01 1.70 -0.14 -1.26 -4.76 119.74 115.54 1kee s LYS 688 Ca 0.39 0.22 -0.04 0.00 -1.36 0.00 0.00 55.97 55.18 1kee s LYS 688 Cb 0.05 -3.34 -0.01 0.00 -1.68 0.00 0.00 37.83 32.85 1kee s LYS 688 CO 0.21 0.42 0.07 -1.14 -0.76 0.00 0.00 175.35 174.15 1kee s GLN 689 N -0.13 0.40 0.59 1.68 0.74 -1.26 -1.49 119.66 120.19 1kee s GLN 689 Ca 0.20 -0.46 -0.18 0.00 0.05 0.00 0.00 55.36 54.97 1kee s GLN 689 Cb -0.14 0.16 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 1kee s GLN 689 CO 0.08 -0.09 1.12 -1.25 -0.55 0.00 0.00 175.29 174.60 1kee s PRO 690 N -1.37 3.15 0.31 1.67 0.04 -1.26 -4.94 135.00 132.60 1kee s PRO 690 Ca -0.15 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 1kee s PRO 690 Cb -0.08 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 1kee s PRO 690 CO 0.01 -0.99 1.48 0.00 0.04 0.00 0.00 177.00 177.53 1kee n ALA 691 N -1.75 2.00 -3.01 8.56 0.00 -1.26 -4.75 120.51 120.30 1kee n ALA 691 Ca 0.11 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.81 1kee n ALA 691 Cb 0.51 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.50 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 0.19 -0.08 0.04 0.00 2.20 -1.26 -0.06 114.94 115.99 1kee s ASN 692 Ca 0.61 -0.20 -0.11 0.00 -0.94 0.00 0.00 52.86 52.23 1kee s ASN 692 Cb -0.54 0.32 0.01 0.00 -2.00 0.00 0.00 41.25 39.04 1kee s ASN 692 CO 0.54 -0.55 0.23 0.00 -2.94 0.00 0.00 177.10 174.38 1kee s ALA 693 N -2.26 -0.45 -0.35 3.54 0.00 0.13 -4.98 121.76 117.39 1kee s ALA 693 Ca -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 1kee s ALA 693 Cb -0.02 0.30 0.07 0.00 0.00 0.00 0.00 23.12 23.47 1kee s ALA 693 CO -0.02 -0.38 0.09 0.99 0.00 0.00 0.00 175.76 176.44 1kee s THR 694 N -2.60 3.17 0.27 0.00 2.01 -1.26 0.26 115.64 117.49 1kee s THR 694 Ca -0.05 -1.63 0.02 0.00 0.31 0.00 0.00 61.69 60.35 1kee s THR 694 Cb -0.01 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1kee s THR 694 CO -0.04 -0.34 0.43 -0.69 -0.69 0.00 0.00 174.62 173.29 1kee s VAL 695 N 1.22 5.20 -0.01 3.82 1.01 -1.06 -4.95 120.40 125.61 1kee s VAL 695 Ca 0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1kee s VAL 695 Cb -0.21 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1kee s VAL 695 CO -0.02 -0.38 -0.02 0.41 0.00 0.00 0.00 175.10 175.09 1kee n THR 696 N -1.40 0.07 -4.20 3.92 -1.04 -1.26 -3.06 114.28 107.31 1kee n THR 696 Ca -0.07 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.05 61.70 1kee n THR 696 Cb 0.56 -1.38 -0.06 0.00 -1.82 0.00 0.00 70.33 67.64 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 -2.02 3.38 0.09 2.41 0.00 -1.26 -4.97 121.76 119.39 1kee s ALA 697 Ca -0.02 -1.53 -0.29 0.00 0.00 0.00 0.00 51.96 50.12 1kee s ALA 697 Cb 0.01 -1.05 -0.14 0.00 0.00 0.00 0.00 23.12 21.94 1kee s ALA 697 CO 0.02 0.26 1.64 0.82 0.00 0.00 0.00 175.76 178.51 1kee h ILE 698 N 1.69 0.43 0.00 0.00 5.03 -2.00 -1.82 117.51 120.84 1kee h ILE 698 Ca -0.46 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.28 1kee h ILE 698 Cb 1.24 0.43 0.00 0.00 -3.03 0.00 0.00 36.82 35.47 1kee h ILE 698 CO 0.61 0.00 0.00 -0.33 -0.68 0.00 0.00 178.15 177.75 1kee h GLU 699 N -0.61 0.00 -0.01 2.37 4.39 -2.00 -0.98 114.58 117.73 1kee h GLU 699 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1kee h GLU 699 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1kee h GLU 699 CO -0.02 0.00 -0.06 1.98 -1.16 0.00 0.00 179.01 179.75 1kee h MET 700 N 0.00 0.07 0.34 2.33 4.05 -1.82 -3.23 114.93 116.67 1kee h MET 700 Ca 0.00 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1kee h MET 700 Cb 0.11 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 1kee h MET 700 CO 0.00 0.72 -0.29 0.00 0.23 0.00 0.00 176.91 177.58 1kee h ALA 701 N 0.34 -0.64 -1.01 0.39 0.00 -0.39 -0.55 119.26 117.41 1kee h ALA 701 Ca -0.00 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.04 1kee h ALA 701 Cb 0.73 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 1kee h ALA 701 CO 0.01 -0.89 0.64 0.28 0.00 0.00 0.00 179.25 179.30 1kee h VAL 702 N -0.64 0.58 0.26 0.00 2.07 -1.53 3.50 116.25 120.48 1kee h VAL 702 Ca -0.02 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1kee h VAL 702 Cb 0.56 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1kee h VAL 702 CO -0.02 0.09 -0.12 -0.08 0.02 0.00 0.00 177.57 177.45 1kee h GLU 703 N 0.49 -0.33 -0.65 1.57 4.57 -1.52 -2.29 114.58 116.42 1kee h GLU 703 Ca 0.58 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.90 1kee h GLU 703 Cb 1.32 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 29.90 1kee h GLU 703 CO -0.32 -0.05 0.21 0.87 -1.18 0.00 0.00 179.01 178.55 1kee h LYS 704 N -1.00 0.36 -0.94 1.92 6.56 -0.00 0.23 116.57 123.69 1kee h LYS 704 Ca -0.04 -0.02 0.16 0.00 -1.06 0.00 0.00 60.65 59.69 1kee h LYS 704 Cb 0.44 -0.08 -0.10 0.00 -0.57 0.00 0.00 32.23 31.92 1kee h LYS 704 CO 0.06 0.24 0.55 0.00 -2.06 0.00 0.00 179.45 178.23 1kee h ALA 705 N 1.47 1.48 -0.39 3.86 0.00 0.65 0.27 119.26 126.60 1kee h ALA 705 Ca 0.34 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.36 1kee h ALA 705 Cb 0.48 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1kee h ALA 705 CO -0.37 -0.01 0.14 0.87 0.00 0.00 0.00 179.25 179.89 1kee h LYS 706 N 0.76 0.30 0.41 0.00 6.56 0.03 0.28 116.57 124.91 1kee h LYS 706 Ca 0.51 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 60.07 1kee h LYS 706 Cb 0.71 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.29 1kee h LYS 706 CO -0.35 0.20 -0.37 0.93 -2.06 0.00 0.00 179.45 177.79 1kee h GLU 707 N 0.30 -0.75 -0.29 3.15 5.08 0.27 -3.26 114.58 119.08 1kee h GLU 707 Ca 0.18 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1kee h GLU 707 Cb 0.15 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1kee h GLU 707 CO -0.18 -0.50 0.09 0.82 -1.00 0.00 0.00 179.01 178.24 1kee h ILE 708 N -0.78 0.91 0.00 3.13 2.04 -0.83 -3.50 117.51 118.49 1kee h ILE 708 Ca -0.05 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1kee h ILE 708 Cb 0.66 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1kee h ILE 708 CO -0.02 0.04 0.00 0.61 0.00 0.00 0.00 178.15 178.77 1kee n GLY 709 N -1.20 0.48 3.82 5.37 0.00 0.96 -4.83 105.19 109.81 1kee n GLY 709 Ca -0.00 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.87 3.26 0.68 1.61 1.51 -1.26 -4.51 117.35 117.77 1kee s TYR 710 Ca 0.00 1.51 -0.11 0.00 -1.01 0.00 0.00 57.07 57.46 1kee s TYR 710 Cb 0.00 -2.89 -0.01 0.00 -0.11 0.00 0.00 41.96 38.96 1kee s TYR 710 CO 0.00 -0.58 1.05 -1.25 -1.11 0.00 0.00 175.55 173.66 1kee s PRO 711 N -3.87 3.12 0.10 -1.71 0.04 -1.26 -4.96 135.00 126.46 1kee s PRO 711 Ca 0.61 0.88 0.10 0.00 0.04 0.00 0.00 61.00 62.63 1kee s PRO 711 Cb -0.12 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1kee s PRO 711 CO 0.29 -0.95 -0.26 -0.51 0.04 0.00 0.00 177.00 175.61 1kee s LEU 712 N -5.44 2.31 -0.62 -3.56 1.02 0.68 -0.83 118.68 112.24 1kee s LEU 712 Ca 0.57 -0.68 -0.11 0.00 0.02 0.00 0.00 54.13 53.93 1kee s LEU 712 Cb -0.13 -1.27 0.16 0.00 0.02 0.00 0.00 46.19 44.97 1kee s LEU 712 CO 0.55 0.21 0.53 -0.69 0.02 0.00 0.00 176.35 176.96 1kee s VAL 713 N -0.98 4.82 -0.55 -1.59 1.01 0.43 -0.71 120.40 122.82 1kee s VAL 713 Ca 0.14 -2.11 -0.20 0.00 0.00 0.00 0.00 61.98 59.81 1kee s VAL 713 Cb -0.10 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.28 1kee s VAL 713 CO 0.05 -0.89 0.69 -0.69 0.00 0.00 0.00 175.10 174.26 1kee s VAL 714 N 0.83 4.79 -0.27 2.92 1.01 -0.93 -1.22 120.40 127.53 1kee s VAL 714 Ca 0.11 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 1kee s VAL 714 Cb -0.21 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1kee s VAL 714 CO -0.03 -0.98 0.13 -0.13 0.00 0.00 0.00 175.10 174.10 1kee s ARG 715 N 2.81 3.78 0.00 2.72 0.52 -0.57 -3.20 118.95 125.01 1kee s ARG 715 Ca 0.15 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 1kee s ARG 715 Cb -0.20 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.77 1kee s ARG 715 CO 0.10 -0.20 0.59 -0.35 0.02 0.00 0.00 175.30 175.47 1kee n PRO 716 N 4.99 0.00 -1.73 3.54 -0.05 -1.26 -1.07 135.00 139.42 1kee n PRO 716 Ca -0.15 0.10 0.00 0.00 -0.05 0.00 0.00 63.50 63.40 1kee n PRO 716 Cb 0.52 -1.10 0.00 0.00 -0.05 0.00 0.00 33.50 32.87 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 -0.80 -1.19 -2.76 0.55 0.00 -1.26 -4.39 120.51 110.66 1kee n ALA 724 Ca 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.35 1kee n ALA 724 Cb 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.11 0.77 0.17 0.00 1.00 -1.26 -5.06 119.30 114.81 1kee s MET 725 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 55.69 55.40 1kee s MET 725 Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 34.83 34.04 1kee s MET 725 CO 0.00 0.17 -0.01 -2.00 0.00 0.00 0.00 175.02 173.19 1kee s GLU 726 N -0.12 1.12 -0.24 2.03 2.12 -1.19 -4.71 118.70 117.70 1kee s GLU 726 Ca 0.02 -1.54 0.02 0.00 0.36 0.00 0.00 54.97 53.84 1kee s GLU 726 Cb -0.05 -0.31 0.05 0.00 0.26 0.00 0.00 34.13 34.08 1kee s GLU 726 CO -0.00 -0.11 -0.12 0.42 -0.54 0.00 0.00 175.26 174.91 1kee s ILE 727 N -3.62 2.04 0.00 -3.70 1.01 -1.26 -2.20 121.20 113.48 1kee s ILE 727 Ca 0.24 -1.43 -0.16 0.00 0.00 0.00 0.00 60.65 59.30 1kee s ILE 727 Cb 0.06 -2.11 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 1kee s ILE 727 CO 0.04 0.07 0.43 -0.69 0.00 0.00 0.00 174.94 174.79 1kee s VAL 728 N 1.19 5.00 -0.24 2.92 1.01 0.11 -4.87 120.40 125.52 1kee s VAL 728 Ca -0.06 0.90 0.07 0.00 0.00 0.00 0.00 61.98 62.89 1kee s VAL 728 Cb -0.18 -3.74 -0.19 0.00 0.00 0.00 0.00 36.38 32.26 1kee s VAL 728 CO -0.07 0.56 -0.14 -1.22 0.00 0.00 0.00 175.10 174.24 1kee n TYR 729 N 1.91 0.00 -4.04 5.22 4.02 -1.26 0.25 117.16 123.26 1kee n TYR 729 Ca -0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.67 1kee n TYR 729 Cb 0.52 -0.99 -0.09 0.00 -0.02 0.00 0.00 39.34 38.76 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 -6.19 0.20 0.29 7.72 3.84 -1.26 -4.40 116.67 116.87 1kee s ASP 730 Ca -0.27 -0.99 -0.06 0.00 -0.00 0.00 0.00 52.55 51.23 1kee s ASP 730 Cb 0.08 0.34 0.53 0.00 -1.38 0.00 0.00 42.92 42.49 1kee s ASP 730 CO 0.67 -0.78 1.56 -0.08 -0.00 0.00 0.00 175.17 176.54 1kee h GLU 731 N 2.76 0.00 0.13 2.11 4.81 -1.97 0.35 114.58 122.77 1kee h GLU 731 Ca -0.34 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1kee h GLU 731 Cb 1.20 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1kee h GLU 731 CO 0.55 0.00 -0.32 0.00 -0.73 0.00 0.00 179.01 178.51 1kee h ALA 732 N 2.00 -0.55 -0.87 2.92 0.00 -2.00 -1.19 119.26 119.56 1kee h ALA 732 Ca 0.51 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.53 1kee h ALA 732 Cb 0.85 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 1kee h ALA 732 CO -1.01 -0.87 0.43 -0.44 0.00 0.00 0.00 179.25 177.37 1kee h ASP 733 N -0.55 0.49 -0.04 0.00 3.32 -0.90 -1.73 116.42 117.01 1kee h ASP 733 Ca 0.03 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1kee h ASP 733 Cb 0.58 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 1kee h ASP 733 CO -0.18 0.17 -0.28 0.25 -1.72 0.00 0.00 179.24 177.47 1kee h LEU 734 N 0.57 -0.86 0.60 1.55 5.85 0.67 -0.67 115.31 123.03 1kee h LEU 734 Ca 0.49 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 59.31 1kee h LEU 734 Cb 0.76 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1kee h LEU 734 CO -0.40 -0.34 -0.45 0.03 -0.34 0.00 0.00 178.44 176.93 1kee h ARG 735 N -0.41 -0.98 -0.61 1.25 3.08 -0.96 -1.10 114.38 114.65 1kee h ARG 735 Ca 0.07 0.07 0.20 0.00 0.07 0.00 0.00 59.98 60.39 1kee h ARG 735 Cb 0.51 0.22 -0.11 0.00 0.08 0.00 0.00 29.97 30.67 1kee h ARG 735 CO -0.27 -0.65 0.11 -2.13 -1.07 0.00 0.00 179.97 175.96 1kee n ARG 736 N -5.24 -0.05 0.30 0.04 0.63 -0.70 0.29 116.66 111.94 1kee n ARG 736 Ca -0.12 0.90 -0.12 0.00 -0.92 0.00 0.00 57.85 57.58 1kee n ARG 736 Cb 0.44 -1.48 -0.06 0.00 0.45 0.00 0.00 32.46 31.81 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 -0.75 -1.83 -0.14 5.03 -0.78 -3.02 116.97 115.48 1kee h TYR 737 Ca 0.42 -0.02 0.54 0.00 2.58 0.00 0.00 58.73 62.25 1kee h TYR 737 Cb 0.96 0.25 -0.08 0.00 1.55 0.00 0.00 36.73 39.41 1kee h TYR 737 CO -0.22 -0.47 1.31 1.19 -1.32 0.00 0.00 178.16 178.65 1kee n PHE 738 N -5.17 0.05 0.00 -3.82 3.72 0.84 0.40 117.46 113.49 1kee n PHE 738 Ca -0.10 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1kee n PHE 738 Cb 0.32 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 1kee n PHE 738 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1kee n GLN 739 N -3.87 0.00 -0.09 -1.08 7.27 0.23 -3.70 117.38 116.14 1kee n GLN 739 Ca 0.42 0.39 0.16 0.00 0.07 0.00 0.00 57.00 58.04 1kee n GLN 739 Cb 1.88 -1.22 0.57 0.00 2.41 0.00 0.00 30.24 33.87 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 0.80 0.00 1.69 1.35 -1.23 -3.52 112.91 112.01 1kee h THR 740 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1kee h THR 740 Cb 0.00 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 1kee h THR 740 CO 0.00 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.32 1kee n ALA 741 N -2.56 0.00 0.00 6.62 0.00 0.16 -5.13 120.51 119.60 1kee n ALA 741 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1kee n ALA 741 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.71 0.00 -2.14 0.00 0.31 -1.17 -5.03 118.33 109.58 1kee n VAL 750 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1kee n VAL 750 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 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 4.42 -0.23 7.52 1.02 -0.23 -2.57 118.68 128.60 1kee s LEU 751 Ca 0.00 2.58 0.02 0.00 0.02 0.00 0.00 54.13 56.75 1kee s LEU 751 Cb 0.00 -3.63 0.05 0.00 0.02 0.00 0.00 46.19 42.63 1kee s LEU 751 CO 0.00 -0.54 -0.11 -0.76 0.02 0.00 0.00 176.35 174.96 1kee s LEU 752 N -1.00 2.94 -0.02 1.79 1.02 0.14 -1.52 118.68 122.02 1kee s LEU 752 Ca 0.53 -1.18 0.07 0.00 0.02 0.00 0.00 54.13 53.57 1kee s LEU 752 Cb -0.39 -1.43 -0.02 0.00 0.02 0.00 0.00 46.19 44.38 1kee s LEU 752 CO 0.46 -0.17 -0.24 -1.81 0.02 0.00 0.00 176.35 174.61 1kee s ASP 753 N 1.22 2.88 0.00 2.29 1.11 -0.36 -0.69 116.67 123.13 1kee s ASP 753 Ca -0.05 -0.45 -0.30 0.00 0.18 0.00 0.00 52.55 51.93 1kee s ASP 753 Cb -0.18 -0.37 -0.07 0.00 1.07 0.00 0.00 42.92 43.38 1kee s ASP 753 CO -0.07 0.30 1.61 -2.28 1.18 0.00 0.00 175.17 175.91 1kee s HIS 754 N -0.53 2.30 -0.15 4.23 5.65 0.92 0.16 115.29 127.86 1kee s HIS 754 Ca 0.08 0.35 -0.29 0.00 0.25 0.00 0.00 55.06 55.45 1kee s HIS 754 Cb -0.10 -3.89 -0.01 0.00 -1.18 0.00 0.00 32.58 27.41 1kee s HIS 754 CO -0.01 -3.61 1.07 0.12 -0.65 0.00 0.00 174.74 171.67 1kee s PHE 755 N 3.23 3.34 -0.91 3.88 5.36 -0.01 -4.73 117.98 128.15 1kee s PHE 755 Ca 0.72 1.44 -0.22 0.00 -0.96 0.00 0.00 56.93 57.92 1kee s PHE 755 Cb -0.35 -3.28 0.08 0.00 -0.34 0.00 0.00 43.02 39.13 1kee s PHE 755 CO 0.30 -0.60 1.24 -0.51 -1.46 0.00 0.00 175.22 174.19 1kee s LEU 756 N 2.61 4.18 0.91 6.12 1.43 -1.26 -4.52 118.68 128.15 1kee s LEU 756 Ca 0.48 -1.52 -0.10 0.00 -1.03 0.00 0.00 54.13 51.96 1kee s LEU 756 Cb -0.18 -2.48 0.14 0.00 0.03 0.00 0.00 46.19 43.69 1kee s LEU 756 CO 0.14 -1.36 1.13 -0.67 0.23 0.00 0.00 176.35 175.82 1kee n ASP 757 N 7.88 0.34 -4.36 2.29 4.64 -1.26 -3.70 116.55 122.38 1kee n ASP 757 Ca 0.22 0.44 -0.34 0.00 -1.38 0.00 0.00 54.79 53.73 1kee n ASP 757 Cb 0.49 -1.47 -0.09 0.00 -1.04 0.00 0.00 41.12 39.01 1kee n ASP 757 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1kee n ASP 758 N -4.05 0.24 -4.48 1.67 4.64 -1.26 -4.94 116.55 108.37 1kee n ASP 758 Ca 0.12 -1.26 -0.28 0.00 -1.38 0.00 0.00 54.79 51.99 1kee n ASP 758 Cb 0.52 -1.66 -0.11 0.00 -1.04 0.00 0.00 41.12 38.83 1kee n ASP 758 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1kee s ALA 759 N -4.11 2.67 -0.18 -1.67 0.00 -1.24 -4.78 121.76 112.44 1kee s ALA 759 Ca 0.20 -1.50 -0.19 0.00 0.00 0.00 0.00 51.96 50.47 1kee s ALA 759 Cb -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1kee s ALA 759 CO 1.00 0.49 0.53 0.08 0.00 0.00 0.00 175.76 177.87 1kee s VAL 760 N -1.48 5.11 0.14 0.00 1.01 -0.84 -1.60 120.40 122.74 1kee s VAL 760 Ca 0.20 1.00 -0.10 0.00 0.00 0.00 0.00 61.98 63.08 1kee s VAL 760 Cb -0.09 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1kee s VAL 760 CO 0.11 0.20 0.47 -0.70 0.00 0.00 0.00 175.10 175.17 1kee s GLU 761 N 1.48 3.80 0.02 2.72 2.12 -1.26 -0.98 118.70 126.60 1kee s GLU 761 Ca 0.25 0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.83 1kee s GLU 761 Cb -0.15 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.35 1kee s GLU 761 CO 0.10 0.47 -0.04 0.08 -0.54 0.00 0.00 175.26 175.33 1kee s VAL 762 N -1.55 0.24 -0.06 3.70 1.01 0.36 -1.65 120.40 122.45 1kee s VAL 762 Ca 0.39 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1kee s VAL 762 Cb -0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.94 1kee s VAL 762 CO 0.20 -0.26 -0.21 -1.81 0.00 0.00 0.00 175.10 173.02 1kee s ASP 763 N -0.95 2.64 -0.11 3.32 1.11 -0.69 -1.27 116.67 120.73 1kee s ASP 763 Ca -0.08 -0.45 0.01 0.00 0.18 0.00 0.00 52.55 52.21 1kee s ASP 763 Cb -0.06 -0.87 0.02 0.00 1.07 0.00 0.00 42.92 43.08 1kee s ASP 763 CO -0.00 0.18 -0.10 -0.69 1.18 0.00 0.00 175.17 175.73 1kee s VAL 764 N 0.08 1.17 -0.18 -1.27 1.01 0.60 -0.53 120.40 121.29 1kee s VAL 764 Ca -0.08 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 1kee s VAL 764 Cb -0.14 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1kee s VAL 764 CO 0.04 0.38 0.09 -1.81 0.00 0.00 0.00 175.10 173.81 1kee s ASP 765 N 1.36 5.91 0.20 3.32 -0.00 -0.35 -0.08 116.67 127.04 1kee s ASP 765 Ca -0.01 0.19 -0.08 0.00 -0.00 0.00 0.00 52.55 52.65 1kee s ASP 765 Cb -0.14 -2.00 -0.02 0.00 -0.00 0.00 0.00 42.92 40.77 1kee s ASP 765 CO -0.05 0.22 0.30 0.00 -0.00 0.00 0.00 175.17 175.63 1kee s ALA 766 N 0.13 0.30 -0.05 5.23 0.00 -0.55 0.62 121.76 127.44 1kee s ALA 766 Ca 0.07 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.92 1kee s ALA 766 Cb -0.12 1.09 -0.00 0.00 0.00 0.00 0.00 23.12 24.09 1kee s ALA 766 CO -0.00 -0.70 -0.17 0.42 0.00 0.00 0.00 175.76 175.31 1kee s ILE 767 N -4.04 1.44 -0.02 0.00 1.01 0.14 -1.23 121.20 118.50 1kee s ILE 767 Ca 0.26 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1kee s ILE 767 Cb 0.03 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 41.25 1kee s ILE 767 CO 0.07 0.42 -0.13 0.00 0.00 0.00 0.00 174.94 175.29 1kee n ASP 769 N 3.00 2.06 0.00 0.00 3.85 -1.09 -1.26 116.55 123.11 1kee n ASP 769 Ca -0.16 -2.78 0.00 0.00 -0.71 0.00 0.00 54.79 51.14 1kee n ASP 769 Cb 0.54 -0.33 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 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 -1.14 2.42 0.03 6.12 0.00 -1.26 -4.75 105.19 106.61 1kee n GLY 770 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 0.23 -4.02 1.61 1.02 -1.26 -5.08 120.64 111.13 1kee n GLU 771 Ca 0.00 0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.07 1kee n GLU 771 Cb 0.00 -1.12 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 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 -2.12 1.15 -0.16 3.49 0.23 -1.26 -5.15 119.30 115.48 1kee s MET 772 Ca -0.08 -1.28 0.00 0.00 -1.03 0.00 0.00 55.69 53.31 1kee s MET 772 Cb 0.02 0.35 -0.00 0.00 -1.53 0.00 0.00 34.83 33.67 1kee s MET 772 CO 0.13 -0.41 -0.15 0.08 -2.03 0.00 0.00 175.02 172.65 1kee s VAL 773 N -4.01 2.66 -0.28 5.16 1.01 -1.26 -2.67 120.40 121.00 1kee s VAL 773 Ca 0.21 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1kee s VAL 773 Cb 0.04 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1kee s VAL 773 CO 0.02 0.51 0.21 -0.22 0.00 0.00 0.00 175.10 175.63 1kee s LEU 774 N 0.86 4.05 -0.36 3.92 2.96 0.69 -4.92 118.68 125.88 1kee s LEU 774 Ca -0.04 0.00 -0.29 0.00 -0.22 0.00 0.00 54.13 53.58 1kee s LEU 774 Cb -0.15 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.39 1kee s LEU 774 CO -0.01 -0.08 1.22 -0.63 -1.32 0.00 0.00 176.35 175.53 1kee s ILE 775 N 1.80 4.23 -0.09 6.68 -1.09 -1.26 0.29 121.20 131.75 1kee s ILE 775 Ca 0.08 1.36 -0.17 0.00 -2.23 0.00 0.00 60.65 59.69 1kee s ILE 775 Cb -0.16 -4.33 -0.14 0.00 -1.58 0.00 0.00 42.46 36.25 1kee s ILE 775 CO 0.11 -0.62 0.59 1.23 -1.23 0.00 0.00 174.94 175.01 1kee h GLY 776 N 10.88 -0.11 -5.19 6.18 0.00 -0.16 -3.39 103.07 111.28 1kee h GLY 776 Ca -0.24 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.22 1kee h GLY 776 CO 1.06 -0.04 0.54 -0.32 0.00 0.00 0.00 176.54 177.78 1kee s GLY 777 N -3.60 -0.12 -0.24 4.60 0.00 -0.32 -4.69 107.32 102.95 1kee s GLY 777 Ca -0.11 2.61 -0.06 0.00 0.00 0.00 0.00 44.72 47.16 1kee s GLY 777 CO 0.39 1.61 0.03 -0.42 0.00 0.00 0.00 173.10 174.71 1kee s ILE 778 N -0.19 3.97 -0.10 0.90 1.01 -1.26 -1.22 121.20 124.30 1kee s ILE 778 Ca 0.03 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.41 1kee s ILE 778 Cb -0.04 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.60 1kee s ILE 778 CO -0.05 0.37 -0.19 -0.04 0.00 0.00 0.00 174.94 175.03 1kee s MET 779 N 1.55 2.53 -0.20 2.79 -1.94 0.31 -4.17 119.30 120.16 1kee s MET 779 Ca 0.06 -0.69 -0.19 0.00 -1.71 0.00 0.00 55.69 53.16 1kee s MET 779 Cb -0.15 -2.03 -0.03 0.00 2.01 0.00 0.00 34.83 34.64 1kee s MET 779 CO 0.01 0.04 0.56 -2.00 -0.01 0.00 0.00 175.02 173.62 1kee s GLU 780 N 0.70 4.19 0.48 2.03 2.12 0.09 -1.71 118.70 126.61 1kee s GLU 780 Ca -0.12 0.49 -0.20 0.00 0.36 0.00 0.00 54.97 55.49 1kee s GLU 780 Cb -0.16 -3.57 -0.09 0.00 0.26 0.00 0.00 34.13 30.57 1kee s GLU 780 CO 0.03 -0.19 1.03 -1.01 -0.54 0.00 0.00 175.26 174.57 1kee s HIS 781 N 1.78 3.03 -0.06 5.30 3.76 -0.66 -0.65 115.29 127.79 1kee s HIS 781 Ca 0.26 1.58 -0.05 0.00 -0.15 0.00 0.00 55.06 56.70 1kee s HIS 781 Cb -0.16 -3.04 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 1kee s HIS 781 CO 0.10 -0.76 0.22 0.82 -0.85 0.00 0.00 174.74 174.27 1kee h ILE 782 N 1.59 0.00 -3.95 0.60 5.03 -1.28 -3.43 117.51 116.08 1kee h ILE 782 Ca -0.49 -0.71 -0.53 0.00 -0.12 0.00 0.00 64.86 63.00 1kee h ILE 782 Cb 1.22 0.00 0.09 0.00 -3.03 0.00 0.00 36.82 35.10 1kee h ILE 782 CO 0.59 0.00 0.67 -1.61 -0.68 0.00 0.00 178.15 177.12 1kee s GLU 783 N -2.05 3.98 1.01 2.37 8.01 -1.26 -4.60 118.70 126.16 1kee s GLU 783 Ca -0.02 2.31 -0.13 0.00 0.01 0.00 0.00 54.97 57.14 1kee s GLU 783 Cb 0.00 -2.82 0.20 0.00 -4.31 0.00 0.00 34.13 27.20 1kee s GLU 783 CO 0.07 -0.54 1.10 1.14 0.01 0.00 0.00 175.26 177.04 1kee s GLN 784 N -2.20 0.33 0.33 1.61 0.00 -1.26 -4.35 119.66 114.11 1kee s GLN 784 Ca 0.56 0.44 -0.29 0.00 -0.00 0.00 0.00 55.36 56.07 1kee s GLN 784 Cb -0.41 -1.73 -0.11 0.00 0.00 0.00 0.00 33.01 30.75 1kee s GLN 784 CO 0.54 -2.78 1.54 0.00 0.00 0.00 0.00 175.29 174.58 1kee s ALA 785 N -3.00 3.66 0.00 2.60 0.00 -0.63 -2.46 121.76 121.93 1kee s ALA 785 Ca 0.66 1.57 0.00 0.00 0.00 0.00 0.00 51.96 54.18 1kee s ALA 785 Cb -0.18 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1kee s ALA 785 CO 0.57 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1kee n GLY 786 N 1.33 1.27 3.42 0.00 0.00 -1.26 -4.79 105.19 105.17 1kee n GLY 786 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.35 4.80 0.05 1.61 1.01 -1.03 -0.45 120.40 125.05 1kee s VAL 787 Ca 0.00 -0.66 -0.37 0.00 0.00 0.00 0.00 61.98 60.95 1kee s VAL 787 Cb 0.00 -3.61 -0.19 0.00 0.00 0.00 0.00 36.38 32.58 1kee s VAL 787 CO 0.00 -0.16 0.93 1.57 0.00 0.00 0.00 175.10 177.43 1kee n HIS 788 N 5.04 0.35 -0.13 5.22 -0.00 0.34 -4.70 115.22 121.34 1kee n HIS 788 Ca -0.12 1.04 0.23 0.00 0.46 0.00 0.00 57.72 59.32 1kee n HIS 788 Cb 0.47 -2.06 0.66 0.00 -0.12 0.00 0.00 29.99 28.94 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 2.48 0.11 0.81 0.26 4.64 -1.91 0.50 113.55 120.44 1kee h SER 789 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1kee h SER 789 Cb 1.43 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1kee h SER 789 CO 0.63 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 1kee n GLY 790 N -1.64 -1.29 0.49 -0.77 0.00 -1.26 -2.54 105.19 98.18 1kee n GLY 790 Ca 0.15 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.71 2.09 -4.91 1.61 8.00 0.13 -4.66 116.55 117.10 1kee n ASP 791 Ca 0.05 -1.55 -0.29 0.00 0.71 0.00 0.00 54.79 53.71 1kee n ASP 791 Cb 0.26 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.99 6.45 0.33 -2.24 0.01 -0.94 -4.83 113.70 111.48 1kee s SER 792 Ca 0.15 0.58 -0.11 0.00 1.31 0.00 0.00 55.95 57.88 1kee s SER 792 Cb 0.10 -2.08 -0.07 0.00 0.21 0.00 0.00 66.02 64.18 1kee s SER 792 CO 0.15 -0.06 0.69 0.00 0.41 0.00 0.00 173.24 174.42 1kee s ALA 793 N -1.87 3.42 0.11 1.44 0.00 -1.26 -4.61 121.76 119.00 1kee s ALA 793 Ca 0.41 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 1kee s ALA 793 Cb -0.11 -2.61 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 1kee s ALA 793 CO 0.28 0.22 0.19 0.00 0.00 0.00 0.00 175.76 176.45 1kee s SER 795 N -2.91 1.79 -0.21 0.00 0.15 0.18 -0.67 113.70 112.04 1kee s SER 795 Ca 0.10 -0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.43 1kee s SER 795 Cb 0.05 -0.20 0.07 0.00 -1.71 0.00 0.00 66.02 64.23 1kee s SER 795 CO -0.07 0.18 0.06 -0.22 1.20 0.00 0.00 173.24 174.39 1kee s LEU 796 N -0.41 1.08 0.99 3.45 0.20 -0.11 -0.73 118.68 123.15 1kee s LEU 796 Ca 0.06 -0.89 -0.14 0.00 0.69 0.00 0.00 54.13 53.85 1kee s LEU 796 Cb -0.06 -0.54 0.18 0.00 -0.43 0.00 0.00 46.19 45.34 1kee s LEU 796 CO -0.00 -0.33 1.14 -2.84 -0.29 0.00 0.00 176.35 174.02 1kee s PRO 797 N 1.90 0.51 0.50 0.98 0.02 -1.26 -0.88 135.00 136.78 1kee s PRO 797 Ca 0.01 0.23 -0.23 0.00 0.02 0.00 0.00 61.00 61.03 1kee s PRO 797 Cb -0.17 -1.77 -0.07 0.00 0.02 0.00 0.00 34.50 32.51 1kee s PRO 797 CO -0.12 -2.61 1.34 0.00 -0.33 0.00 0.00 177.00 175.28 1kee n ALA 798 N -4.04 1.56 0.78 -1.55 0.00 -1.24 -4.78 120.51 111.24 1kee n ALA 798 Ca 0.08 0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.77 1kee n ALA 798 Cb 0.59 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 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 -0.73 0.00 0.00 0.00 0.18 -1.26 -4.66 117.16 110.69 1kee n TYR 799 Ca 0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.87 1kee n TYR 799 Cb 0.43 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.39 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 -0.74 0.00 -1.94 -3.48 -2.24 -1.26 -5.09 114.28 99.53 1kee n THR 800 Ca 0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 1kee n THR 800 Cb 0.31 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 1kee n THR 800 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kee s LEU 801 N -1.45 4.37 0.53 3.22 1.43 -1.26 -4.97 118.68 120.56 1kee s LEU 801 Ca 0.00 2.80 -0.18 0.00 -1.03 0.00 0.00 54.13 55.72 1kee s LEU 801 Cb 0.00 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 1kee s LEU 801 CO 0.00 -0.75 1.05 -0.94 0.23 0.00 0.00 176.35 175.94 1kee s SER 802 N 0.15 6.08 0.24 2.29 1.04 -1.26 -4.90 113.70 117.34 1kee s SER 802 Ca 0.57 1.89 -0.06 0.00 0.48 0.00 0.00 55.95 58.83 1kee s SER 802 Cb -0.44 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 63.43 1kee s SER 802 CO 0.49 -0.96 1.88 -0.61 0.98 0.00 0.00 173.24 175.02 1kee h GLN 803 N 1.06 1.05 -0.18 4.02 5.75 -1.99 -0.58 115.11 124.24 1kee h GLN 803 Ca -0.48 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 57.99 1kee h GLN 803 Cb 1.22 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 29.50 1kee h GLN 803 CO 0.58 0.69 -0.04 1.49 -2.65 0.00 0.00 178.83 178.90 1kee h GLU 804 N 1.08 0.00 -0.67 1.69 4.81 -1.99 0.17 114.58 119.68 1kee h GLU 804 Ca 0.36 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.53 1kee h GLU 804 Cb 0.05 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1kee h GLU 804 CO -0.13 0.00 0.17 0.82 -0.73 0.00 0.00 179.01 179.14 1kee h ILE 805 N 0.00 1.25 -0.88 2.32 1.08 -1.81 -2.59 117.51 116.89 1kee h ILE 805 Ca 0.09 -0.92 -0.00 0.00 -0.39 0.00 0.00 64.86 63.63 1kee h ILE 805 Cb 0.13 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.40 1kee h ILE 805 CO -0.19 0.35 0.54 1.56 -0.69 0.00 0.00 178.15 179.73 1kee h GLN 806 N 1.00 1.18 0.00 2.37 4.20 -0.47 -2.03 115.11 121.36 1kee h GLN 806 Ca 0.21 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1kee h GLN 806 Cb 0.34 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1kee h GLN 806 CO -0.00 0.81 -0.19 -0.44 -0.67 0.00 0.00 178.83 178.35 1kee h ASP 807 N 1.20 0.00 -0.19 1.46 3.45 -0.78 0.71 116.42 122.27 1kee h ASP 807 Ca 0.32 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.68 1kee h ASP 807 Cb -0.07 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.70 1kee h ASP 807 CO -0.06 0.19 -0.24 0.58 -1.57 0.00 0.00 179.24 178.13 1kee h VAL 808 N 0.00 1.34 -0.71 -1.35 2.07 -0.98 -1.53 116.25 115.08 1kee h VAL 808 Ca -0.00 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 1kee h VAL 808 Cb 0.58 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1kee h VAL 808 CO 0.02 0.44 0.23 0.24 0.02 0.00 0.00 177.57 178.52 1kee h MET 809 N 0.16 1.11 -0.81 1.57 2.86 -1.15 -1.35 114.93 117.33 1kee h MET 809 Ca 0.02 -0.24 0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1kee h MET 809 Cb 0.80 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.24 1kee h MET 809 CO 0.06 0.95 0.49 0.00 1.06 0.00 0.00 176.91 179.47 1kee h ARG 810 N 1.05 0.88 -0.30 1.72 3.08 -0.67 -0.58 114.38 119.55 1kee h ARG 810 Ca 0.23 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 1kee h ARG 810 Cb 0.30 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1kee h ARG 810 CO -0.01 0.58 -0.30 1.96 -1.07 0.00 0.00 179.97 181.13 1kee h GLN 811 N 0.90 0.64 -0.58 0.04 4.20 -0.52 -2.52 115.11 117.27 1kee h GLN 811 Ca 0.35 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1kee h GLN 811 Cb 0.16 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1kee h GLN 811 CO -0.17 0.86 0.18 1.96 -0.67 0.00 0.00 178.83 180.99 1kee h GLN 812 N 0.55 0.91 -0.63 1.46 4.20 -0.77 -1.04 115.11 119.79 1kee h GLN 812 Ca 0.07 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1kee h GLN 812 Cb 0.79 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 1kee h GLN 812 CO 0.07 0.82 0.34 0.28 -0.67 0.00 0.00 178.83 179.67 1kee h VAL 813 N 0.82 1.20 -0.33 -0.54 2.07 -1.03 -0.50 116.25 117.95 1kee h VAL 813 Ca 0.19 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1kee h VAL 813 Cb 0.29 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1kee h VAL 813 CO -0.00 0.22 0.14 -0.61 0.02 0.00 0.00 177.57 177.33 1kee h GLN 814 N 0.86 0.48 -0.44 1.57 4.15 -1.07 -0.62 115.11 120.03 1kee h GLN 814 Ca 0.22 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.59 1kee h GLN 814 Cb 0.05 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.62 1kee h GLN 814 CO -0.04 0.47 0.23 0.87 -1.93 0.00 0.00 178.83 178.44 1kee h LYS 815 N 0.38 0.45 0.12 1.69 1.57 -0.85 -2.72 116.57 117.21 1kee h LYS 815 Ca 0.11 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1kee h LYS 815 Cb 0.16 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1kee h LYS 815 CO -0.01 0.30 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.04 1kee h LEU 816 N 0.46 -0.13 -0.57 2.94 3.38 -0.91 -1.83 115.31 118.65 1kee h LEU 816 Ca 0.19 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1kee h LEU 816 Cb 0.08 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.75 1kee h LEU 816 CO -0.12 -0.06 -0.23 0.00 0.09 0.00 0.00 178.44 178.12 1kee h ALA 817 N 0.69 0.20 -0.10 1.53 0.00 -0.92 0.55 119.26 121.21 1kee h ALA 817 Ca -0.02 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1kee h ALA 817 Cb 0.15 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1kee h ALA 817 CO 0.03 -0.54 -0.05 0.74 0.00 0.00 0.00 179.25 179.42 1kee h PHE 818 N -0.09 0.25 -0.69 0.00 0.04 -1.46 0.11 116.94 115.10 1kee h PHE 818 Ca 0.26 -0.06 0.09 0.00 2.80 0.00 0.00 57.97 61.05 1kee h PHE 818 Cb 0.49 -0.06 -0.07 0.00 2.20 0.00 0.00 35.95 38.52 1kee h PHE 818 CO -0.54 0.58 0.34 1.49 -0.60 0.00 0.00 178.31 179.58 1kee h GLU 819 N -0.15 0.57 -0.00 1.51 4.57 -0.41 -0.02 114.58 120.65 1kee h GLU 819 Ca 0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1kee h GLU 819 Cb 0.52 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1kee h GLU 819 CO 0.02 0.38 -0.02 1.28 -1.18 0.00 0.00 179.01 179.48 1kee n LEU 820 N -4.87 0.02 -1.54 1.64 4.77 0.18 -4.91 117.00 112.30 1kee n LEU 820 Ca 0.10 0.46 -0.08 0.00 -0.03 0.00 0.00 56.01 56.46 1kee n LEU 820 Cb 0.26 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1kee n LEU 820 CO 0.25 0.01 0.08 0.00 -1.33 0.00 0.00 177.39 176.39 1kee n GLN 821 N -1.48 -2.68 -2.04 3.23 1.13 -0.02 -4.72 117.38 110.80 1kee n GLN 821 Ca 0.07 0.30 -0.41 0.00 -1.94 0.00 0.00 57.00 55.02 1kee n GLN 821 Cb 0.33 -3.74 -0.02 0.00 0.11 0.00 0.00 30.24 26.93 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 -3.06 2.62 -0.35 5.09 1.01 -0.09 -4.69 120.40 120.93 1kee s VAL 822 Ca 0.19 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 1kee s VAL 822 Cb -0.09 -3.37 0.13 0.00 0.00 0.00 0.00 36.38 33.05 1kee s VAL 822 CO 0.24 0.12 0.19 -0.13 0.00 0.00 0.00 175.10 175.51 1kee s ARG 823 N -1.24 0.60 0.00 2.72 1.81 -1.25 -4.11 118.95 117.48 1kee s ARG 823 Ca 0.54 -1.23 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 1kee s ARG 823 Cb -0.41 -1.50 0.00 0.00 -0.45 0.00 0.00 34.95 32.59 1kee s ARG 823 CO 0.50 -1.14 0.00 0.41 -0.68 0.00 0.00 175.30 174.39 1kee n GLY 824 N 4.32 0.10 3.89 -3.53 0.00 -0.39 -1.45 105.19 108.13 1kee n GLY 824 Ca 0.06 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 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 2.99 0.05 0.99 1.43 -1.26 -2.20 118.68 120.68 1kee s LEU 825 Ca 0.00 1.09 -0.27 0.00 -1.03 0.00 0.00 54.13 53.93 1kee s LEU 825 Cb 0.00 -3.92 0.09 0.00 0.03 0.00 0.00 46.19 42.39 1kee s LEU 825 CO 0.00 -1.25 0.76 0.00 0.23 0.00 0.00 176.35 176.09 1kee s MET 826 N -5.28 1.01 -0.01 1.70 0.23 -0.37 -3.27 119.30 113.32 1kee s MET 826 Ca 0.57 -0.29 0.00 0.00 -1.03 0.00 0.00 55.69 54.94 1kee s MET 826 Cb -0.11 0.47 0.01 0.00 -1.53 0.00 0.00 34.83 33.67 1kee s MET 826 CO 0.51 -0.43 -0.00 1.21 -2.03 0.00 0.00 175.02 174.28 1kee s ASN 827 N -2.38 0.10 -0.03 -1.18 3.84 0.13 -1.48 114.94 113.95 1kee s ASN 827 Ca 0.01 -0.00 0.04 0.00 0.21 0.00 0.00 52.86 53.12 1kee s ASN 827 Cb -0.01 -0.03 -0.00 0.00 -0.55 0.00 0.00 41.25 40.65 1kee s ASN 827 CO -0.08 -0.02 -0.14 -0.69 -2.79 0.00 0.00 177.10 173.38 1kee s VAL 828 N 0.24 1.13 -0.15 -5.21 1.01 0.89 -0.96 120.40 117.35 1kee s VAL 828 Ca -0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1kee s VAL 828 Cb -0.03 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1kee s VAL 828 CO -0.01 0.33 -0.13 -1.10 0.00 0.00 0.00 175.10 174.19 1kee s GLN 829 N -0.07 3.31 0.28 2.72 -0.21 -0.32 -0.29 119.66 125.08 1kee s GLN 829 Ca 0.00 -0.71 0.09 0.00 0.02 0.00 0.00 55.36 54.76 1kee s GLN 829 Cb -0.08 -2.67 -0.05 0.00 1.00 0.00 0.00 33.01 31.20 1kee s GLN 829 CO 0.01 0.08 -0.12 -0.06 -2.12 0.00 0.00 175.29 173.07 1kee s PHE 830 N 0.68 2.07 -0.07 0.91 0.08 -0.39 -0.06 117.98 121.20 1kee s PHE 830 Ca -0.06 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.47 1kee s PHE 830 Cb -0.15 -1.06 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 1kee s PHE 830 CO 0.02 0.47 -0.12 0.00 -0.10 0.00 0.00 175.22 175.49 1kee s ALA 831 N -2.80 1.28 -0.38 5.36 0.00 0.13 -0.49 121.76 124.87 1kee s ALA 831 Ca 0.29 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 1kee s ALA 831 Cb 0.00 -0.57 0.08 0.00 0.00 0.00 0.00 23.12 22.64 1kee s ALA 831 CO 0.12 0.12 0.15 0.08 0.00 0.00 0.00 175.76 176.23 1kee s VAL 832 N 0.65 3.37 -0.18 0.00 1.01 -0.15 0.29 120.40 125.39 1kee s VAL 832 Ca -0.15 -1.72 0.01 0.00 0.00 0.00 0.00 61.98 60.13 1kee s VAL 832 Cb -0.16 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1kee s VAL 832 CO 0.04 -0.47 -0.19 -0.75 0.00 0.00 0.00 175.10 173.73 1kee s LYS 833 N 1.23 2.85 -1.33 2.72 2.20 -0.84 -1.98 119.74 124.58 1kee s LYS 833 Ca 0.03 -0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 54.80 1kee s LYS 833 Cb -0.22 -2.51 0.01 0.00 -1.51 0.00 0.00 37.83 33.61 1kee s LYS 833 CO -0.02 -0.23 0.83 0.09 -0.36 0.00 0.00 175.35 175.66 1kee n ASN 834 N 4.64 -2.22 -1.26 1.43 5.03 -1.26 -1.75 115.26 119.87 1kee n ASN 834 Ca -0.20 -0.76 -0.15 0.00 0.87 0.00 0.00 54.58 54.33 1kee n ASN 834 Cb 0.50 -4.27 -0.06 0.00 -1.02 0.00 0.00 39.78 34.93 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 -3.03 -4.84 -4.31 6.41 4.05 -1.26 -4.98 115.26 107.29 1kee n ASN 835 Ca -0.22 0.33 -0.30 0.00 0.45 0.00 0.00 54.58 54.84 1kee n ASN 835 Cb 0.64 -3.73 -0.16 0.00 1.23 0.00 0.00 39.78 37.76 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 -3.49 1.99 -0.28 1.20 2.02 -0.72 -5.06 118.70 114.36 1kee s GLU 836 Ca 0.00 -0.96 -0.15 0.00 0.02 0.00 0.00 54.97 53.88 1kee s GLU 836 Cb 0.00 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.21 1kee s GLU 836 CO 0.00 0.54 0.35 0.08 0.02 0.00 0.00 175.26 176.25 1kee s VAL 837 N -0.65 5.18 0.03 2.63 1.01 -1.26 -1.99 120.40 125.35 1kee s VAL 837 Ca 0.10 0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.58 1kee s VAL 837 Cb -0.10 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1kee s VAL 837 CO -0.00 0.12 -0.15 -0.31 0.00 0.00 0.00 175.10 174.75 1kee s TYR 838 N 2.04 2.63 -0.15 5.22 2.02 0.14 -4.45 117.35 124.80 1kee s TYR 838 Ca 0.14 -0.21 -0.18 0.00 -0.37 0.00 0.00 57.07 56.44 1kee s TYR 838 Cb -0.16 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1kee s TYR 838 CO 0.10 0.27 0.50 -1.17 -1.57 0.00 0.00 175.55 173.69 1kee s LEU 839 N -1.41 4.22 -0.24 -1.29 2.96 -0.56 0.20 118.68 122.56 1kee s LEU 839 Ca 0.15 0.77 -0.18 0.00 -0.22 0.00 0.00 54.13 54.65 1kee s LEU 839 Cb -0.11 -2.72 -0.15 0.00 0.50 0.00 0.00 46.19 43.72 1kee s LEU 839 CO 0.06 -0.08 -0.07 -0.38 -1.32 0.00 0.00 176.35 174.55 1kee n ILE 840 N 4.06 1.53 -3.61 6.68 5.41 0.91 -4.50 119.36 129.85 1kee n ILE 840 Ca -0.06 -0.19 -0.03 0.00 1.00 0.00 0.00 62.75 63.47 1kee n ILE 840 Cb 0.51 -1.98 -0.01 0.00 -0.71 0.00 0.00 39.64 37.45 1kee n ILE 840 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1kee s GLU 841 N -2.44 0.58 -0.09 0.38 -1.05 -1.09 -5.01 118.70 109.98 1kee s GLU 841 Ca -0.33 -0.27 0.03 0.00 -0.15 0.00 0.00 54.97 54.24 1kee s GLU 841 Cb 0.10 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 34.03 1kee s GLU 841 CO 0.54 -0.26 -0.17 0.08 0.95 0.00 0.00 175.26 176.39 1kee s VAL 842 N -2.70 1.56 -0.40 1.83 1.01 -1.26 -1.18 120.40 119.26 1kee s VAL 842 Ca 0.10 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1kee s VAL 842 Cb 0.01 -1.39 0.11 0.00 0.00 0.00 0.00 36.38 35.10 1kee s VAL 842 CO -0.04 0.45 0.15 0.20 0.00 0.00 0.00 175.10 175.86 1kee s ASN 843 N 0.63 4.87 -1.20 3.32 0.01 -0.13 -4.59 114.94 117.85 1kee s ASN 843 Ca -0.14 -2.30 -0.08 0.00 -0.71 0.00 0.00 52.86 49.63 1kee s ASN 843 Cb -0.16 -1.70 -0.07 0.00 0.41 0.00 0.00 41.25 39.73 1kee s ASN 843 CO 0.04 -0.40 2.96 -0.81 -1.51 0.00 0.00 177.10 177.38 1kee n PRO 844 N 4.12 3.50 -3.84 -0.60 -0.04 -1.26 0.20 135.00 137.08 1kee n PRO 844 Ca 0.03 -2.25 -0.06 0.00 -0.04 0.00 0.00 63.50 61.18 1kee n PRO 844 Cb 0.40 -2.58 0.02 0.00 -0.04 0.00 0.00 33.50 31.30 1kee n PRO 844 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1kee s ARG 845 N 1.03 1.83 0.12 0.54 1.70 -1.20 -4.84 118.95 118.13 1kee s ARG 845 Ca 0.66 -1.17 -0.30 0.00 -0.47 0.00 0.00 55.73 54.44 1kee s ARG 845 Cb 0.22 0.51 -0.07 0.00 -0.57 0.00 0.00 34.95 35.04 1kee s ARG 845 CO -0.07 -0.86 1.24 0.00 -1.08 0.00 0.00 175.30 174.54 1kee s ALA 846 N -2.28 3.45 0.33 7.88 0.00 -0.87 -3.63 121.76 126.65 1kee s ALA 846 Ca 0.18 0.95 0.06 0.00 0.00 0.00 0.00 51.96 53.15 1kee s ALA 846 Cb -0.04 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1kee s ALA 846 CO 0.09 -0.45 0.46 0.00 0.00 0.00 0.00 175.76 175.86 1kee s ALA 847 N 0.63 4.18 0.55 0.00 0.00 -1.26 -4.82 121.76 121.04 1kee s ALA 847 Ca 0.58 -1.41 0.42 0.00 0.00 0.00 0.00 51.96 51.55 1kee s ALA 847 Cb -0.32 -1.70 2.24 0.00 0.00 0.00 0.00 23.12 23.33 1kee s ALA 847 CO 0.32 -0.01 2.29 0.07 0.00 0.00 0.00 175.76 178.43 1kee h ARG 848 N 0.91 0.00 0.00 0.00 0.11 -1.94 -2.37 114.38 111.09 1kee h ARG 848 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1kee h ARG 848 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1kee h ARG 848 CO 0.54 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.86 1kee n THR 849 N -3.04 0.49 -0.10 0.08 -2.24 -1.26 -4.22 114.28 104.00 1kee n THR 849 Ca -0.02 -0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.56 1kee n THR 849 Cb 0.10 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1kee n THR 849 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1kee h VAL 850 N 0.00 0.53 -0.84 2.28 2.07 -1.80 -1.48 116.25 117.01 1kee h VAL 850 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1kee h VAL 850 Cb 0.62 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1kee h VAL 850 CO 0.00 0.00 0.56 -0.65 0.02 0.00 0.00 177.57 177.50 1kee h PRO 851 N -0.08 1.07 -0.38 1.57 0.11 -1.83 -1.05 132.00 131.41 1kee h PRO 851 Ca 0.18 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 1kee h PRO 851 Cb 0.35 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1kee h PRO 851 CO -0.41 0.71 0.09 0.35 -0.21 0.00 0.00 178.00 178.54 1kee h PHE 852 N 1.10 0.63 -0.59 0.65 3.04 -1.67 -1.91 116.94 118.20 1kee h PHE 852 Ca 0.32 -0.07 -0.04 0.00 3.98 0.00 0.00 57.97 62.15 1kee h PHE 852 Cb -0.07 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.23 1kee h PHE 852 CO -0.00 0.62 0.22 0.28 -2.02 0.00 0.00 178.31 177.41 1kee h VAL 853 N 0.46 1.23 -0.89 1.41 2.07 -0.96 -0.65 116.25 118.93 1kee h VAL 853 Ca 0.12 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.94 1kee h VAL 853 Cb 0.30 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 1kee h VAL 853 CO 0.00 0.29 0.56 0.28 0.02 0.00 0.00 177.57 178.72 1kee h SER 854 N 0.83 0.91 -0.27 0.57 0.02 -1.04 0.43 113.55 114.99 1kee h SER 854 Ca 0.20 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1kee h SER 854 Cb 0.23 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1kee h SER 854 CO -0.01 0.60 -0.11 0.11 -1.14 0.00 0.00 176.83 176.27 1kee h LYS 855 N 1.05 0.56 -0.07 3.45 6.56 -0.88 0.20 116.57 127.43 1kee h LYS 855 Ca 0.37 -0.24 -0.01 0.00 -1.06 0.00 0.00 60.65 59.71 1kee h LYS 855 Cb 0.11 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1kee h LYS 855 CO -0.15 0.79 -0.01 0.00 -2.06 0.00 0.00 179.45 178.02 1kee h ALA 856 N 0.75 0.09 -0.00 3.86 0.00 -0.80 -3.28 119.26 119.89 1kee h ALA 856 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1kee h ALA 856 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1kee h ALA 856 CO 0.04 -0.19 -0.30 0.25 0.00 0.00 0.00 179.25 179.04 1kee n THR 857 N -4.82 0.00 -0.82 0.00 -2.24 0.15 -4.86 114.28 101.69 1kee n THR 857 Ca -0.07 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1kee n THR 857 Cb 0.22 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1kee n THR 857 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 858 N 1.42 0.85 3.52 3.38 0.00 0.67 -4.96 105.19 110.08 1kee n GLY 858 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.23 4.63 -1.45 1.61 1.01 -1.15 -5.00 120.40 116.83 1kee s VAL 859 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1kee s VAL 859 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1kee s VAL 859 CO 0.00 0.35 2.31 -0.81 0.00 0.00 0.00 175.10 176.95 1kee n PRO 860 N 4.58 2.89 -0.32 2.72 -0.04 -1.26 -3.93 135.00 139.65 1kee n PRO 860 Ca -0.16 -2.51 0.18 0.00 -0.04 0.00 0.00 63.50 60.97 1kee n PRO 860 Cb 0.52 -3.21 0.37 0.00 -0.04 0.00 0.00 33.50 31.14 1kee n PRO 860 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1kee h LEU 861 N 9.78 0.07 -0.81 1.53 3.38 -1.92 0.53 115.31 127.87 1kee h LEU 861 Ca 0.60 0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.76 1kee h LEU 861 Cb 0.59 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1kee h LEU 861 CO 1.88 -0.22 0.39 0.00 0.09 0.00 0.00 178.44 180.58 1kee h ALA 862 N 1.86 1.05 -0.23 1.53 0.00 -1.91 0.20 119.26 121.76 1kee h ALA 862 Ca 0.64 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 1kee h ALA 862 Cb 1.39 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1kee h ALA 862 CO -0.70 0.61 -0.16 0.87 0.00 0.00 0.00 179.25 179.87 1kee h LYS 863 N 1.15 0.50 0.11 0.00 1.57 -1.19 -2.13 116.57 116.59 1kee h LYS 863 Ca 0.28 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1kee h LYS 863 Cb 0.12 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1kee h LYS 863 CO -0.04 0.81 -0.05 0.28 -0.57 0.00 0.00 179.45 179.88 1kee h VAL 864 N 0.20 0.90 -0.02 0.50 2.07 -1.03 -1.64 116.25 117.23 1kee h VAL 864 Ca 0.04 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1kee h VAL 864 Cb 0.68 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1kee h VAL 864 CO 0.04 0.01 -0.02 0.00 0.02 0.00 0.00 177.57 177.62 1kee h ALA 865 N 0.74 1.92 -0.10 1.67 0.00 -0.98 -0.64 119.26 121.88 1kee h ALA 865 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1kee h ALA 865 Cb 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1kee h ALA 865 CO 0.02 0.06 -0.13 0.00 0.00 0.00 0.00 179.25 179.20 1kee h ALA 866 N 1.95 0.15 -1.00 0.00 0.00 -1.06 -0.82 119.26 118.48 1kee h ALA 866 Ca 0.01 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1kee h ALA 866 Cb 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1kee h ALA 866 CO 0.00 0.02 0.65 0.00 0.00 0.00 0.00 179.25 179.93 1kee h ARG 867 N -0.17 1.25 -0.70 0.00 3.08 -0.82 -0.78 114.38 116.24 1kee h ARG 867 Ca 0.01 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1kee h ARG 867 Cb 0.68 -0.28 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1kee h ARG 867 CO 0.03 0.83 0.42 0.28 -1.07 0.00 0.00 179.97 180.46 1kee h VAL 868 N 1.29 1.04 0.00 2.04 2.07 -0.95 0.12 116.25 121.86 1kee h VAL 868 Ca 0.39 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.55 1kee h VAL 868 Cb -0.05 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1kee h VAL 868 CO -0.11 0.15 -0.40 0.24 0.02 0.00 0.00 177.57 177.47 1kee h MET 869 N 0.80 0.00 0.00 1.57 2.86 -0.08 -1.82 114.93 118.25 1kee h MET 869 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1kee h MET 869 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1kee h MET 869 CO -0.14 0.40 -0.08 0.00 1.06 0.00 0.00 176.91 178.14 1kee n ALA 870 N -2.40 2.52 0.00 6.32 0.00 -0.40 -4.07 120.51 122.47 1kee n ALA 870 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1kee n ALA 870 Cb 0.45 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.50 1.43 3.35 0.00 0.00 -0.48 -5.07 105.19 105.92 1kee n GLY 871 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.20 2.95 0.90 1.61 2.20 0.30 -4.96 119.74 122.53 1kee s LYS 872 Ca 0.00 -0.97 -0.12 0.00 -0.36 0.00 0.00 55.97 54.52 1kee s LYS 872 Cb 0.00 -3.53 0.09 0.00 -1.51 0.00 0.00 37.83 32.88 1kee s LYS 872 CO 0.00 -0.57 0.89 -1.13 -0.36 0.00 0.00 175.35 174.18 1kee n SER 873 N 4.91 -0.40 -0.19 1.43 3.41 -1.26 -3.29 113.62 118.24 1kee n SER 873 Ca -0.13 0.43 -0.08 0.00 -0.26 0.00 0.00 58.87 58.83 1kee n SER 873 Cb 0.47 -1.38 0.02 0.00 -0.26 0.00 0.00 64.21 63.05 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 -1.55 0.76 -0.45 1.04 3.38 -1.94 0.71 115.31 117.26 1kee h LEU 874 Ca -0.44 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.40 1kee h LEU 874 Cb 1.28 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 1kee h LEU 874 CO 0.40 0.74 0.17 0.00 0.09 0.00 0.00 178.44 179.84 1kee h ALA 875 N 1.05 0.54 -0.14 1.53 0.00 -1.91 0.48 119.26 120.82 1kee h ALA 875 Ca 0.18 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1kee h ALA 875 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1kee h ALA 875 CO -0.01 -0.22 -0.10 0.93 0.00 0.00 0.00 179.25 179.85 1kee h GLU 876 N 0.35 0.21 0.00 0.00 5.08 -1.78 -1.33 114.58 117.11 1kee h GLU 876 Ca 0.21 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1kee h GLU 876 Cb 0.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1kee h GLU 876 CO -0.20 0.33 -0.33 1.96 -1.00 0.00 0.00 179.01 179.76 1kee h GLN 877 N 0.21 0.00 -0.30 2.33 4.20 0.65 -3.48 115.11 118.72 1kee h GLN 877 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1kee h GLN 877 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1kee h GLN 877 CO 0.02 0.17 0.00 0.41 -0.67 0.00 0.00 178.83 178.76 1kee n GLY 878 N 1.16 0.75 2.83 3.46 0.00 0.16 -5.02 105.19 108.53 1kee n GLY 878 Ca 0.02 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.30 2.12 0.00 1.61 1.01 -0.78 -4.91 120.40 117.15 1kee s VAL 879 Ca 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 61.98 58.74 1kee s VAL 879 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1kee s VAL 879 CO 0.00 -0.90 0.00 0.35 0.00 0.00 0.00 175.10 174.55 1kee n THR 880 N 2.98 0.00 -4.56 3.92 -2.24 -1.26 -4.54 114.28 108.57 1kee n THR 880 Ca 0.11 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 1kee n THR 880 Cb 0.34 0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.22 2.94 0.41 -0.78 -0.14 -1.26 -4.91 119.74 114.77 1kee s LYS 881 Ca 0.00 -0.53 -0.25 0.00 -1.36 0.00 0.00 55.97 53.83 1kee s LYS 881 Cb 0.00 -2.67 -0.08 0.00 -1.68 0.00 0.00 37.83 33.40 1kee s LYS 881 CO 0.00 0.60 1.22 -2.00 -0.76 0.00 0.00 175.35 174.40 1kee s GLU 882 N -0.62 3.98 -0.19 1.68 2.12 -1.26 -4.95 118.70 119.47 1kee s GLU 882 Ca 0.09 1.95 -0.10 0.00 0.36 0.00 0.00 54.97 57.28 1kee s GLU 882 Cb -0.12 -2.68 -0.05 0.00 0.26 0.00 0.00 34.13 31.55 1kee s GLU 882 CO 0.02 -0.42 0.14 0.08 -0.54 0.00 0.00 175.26 174.54 1kee s VAL 883 N -1.36 5.42 -0.28 3.70 1.01 -1.26 -5.06 120.40 122.57 1kee s VAL 883 Ca 0.58 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.79 1kee s VAL 883 Cb -0.33 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.65 1kee s VAL 883 CO 0.42 0.46 -0.04 -0.63 0.00 0.00 0.00 175.10 175.31 1kee s ILE 884 N 0.17 2.04 0.68 2.22 -1.09 -1.26 -4.96 121.20 119.00 1kee s ILE 884 Ca 0.09 -1.77 -0.15 0.00 -2.23 0.00 0.00 60.65 56.59 1kee s ILE 884 Cb -0.11 -2.29 0.01 0.00 -1.58 0.00 0.00 42.46 38.48 1kee s ILE 884 CO -0.01 -0.24 1.13 -2.84 -1.23 0.00 0.00 174.94 171.76 1kee s PRO 885 N 1.11 2.63 0.00 2.79 0.02 -1.26 -4.93 135.00 135.36 1kee s PRO 885 Ca -0.02 1.48 0.29 0.00 0.02 0.00 0.00 61.00 62.77 1kee s PRO 885 Cb -0.19 -1.92 1.22 0.00 0.02 0.00 0.00 34.50 33.63 1kee s PRO 885 CO -0.07 -1.40 1.90 -0.35 -0.33 0.00 0.00 177.00 176.75 1kee n PRO 886 N -2.51 0.09 -4.42 5.54 -0.04 -1.26 -4.85 135.00 127.54 1kee n PRO 886 Ca 0.11 -0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 1kee n PRO 886 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 1kee n PRO 886 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1kee s TYR 887 N -2.92 1.91 0.02 0.54 1.13 -1.26 -4.99 117.35 111.78 1kee s TYR 887 Ca 0.16 -0.77 -0.16 0.00 -1.41 0.00 0.00 57.07 54.90 1kee s TYR 887 Cb 0.19 -1.12 -0.06 0.00 -1.10 0.00 0.00 41.96 39.87 1kee s TYR 887 CO 0.53 0.20 0.45 0.71 -2.51 0.00 0.00 175.55 174.93 1kee s TYR 888 N -3.10 3.74 -0.16 -3.49 2.02 -0.16 -4.49 117.35 111.70 1kee s TYR 888 Ca 0.30 1.05 0.00 0.00 -0.37 0.00 0.00 57.07 58.06 1kee s TYR 888 Cb 0.05 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.30 1kee s TYR 888 CO 0.12 0.62 -0.13 -1.12 -1.57 0.00 0.00 175.55 173.47 1kee s SER 889 N -1.14 2.89 -0.05 2.29 0.01 -0.06 -1.54 113.70 116.11 1kee s SER 889 Ca 0.26 -0.61 0.05 0.00 1.31 0.00 0.00 55.95 56.97 1kee s SER 889 Cb -0.17 -1.19 -0.02 0.00 0.21 0.00 0.00 66.02 64.85 1kee s SER 889 CO 0.15 -0.08 -0.20 -0.69 0.41 0.00 0.00 173.24 172.82 1kee s VAL 890 N 1.46 2.50 -0.11 3.43 1.01 0.01 -0.94 120.40 127.78 1kee s VAL 890 Ca 0.03 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1kee s VAL 890 Cb -0.14 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1kee s VAL 890 CO -0.10 0.58 -0.08 -0.75 0.00 0.00 0.00 175.10 174.75 1kee s LYS 891 N -0.50 3.14 0.08 2.72 2.20 0.16 -0.39 119.74 127.16 1kee s LYS 891 Ca 0.06 -0.58 0.06 0.00 -0.36 0.00 0.00 55.97 55.15 1kee s LYS 891 Cb -0.11 -2.68 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1kee s LYS 891 CO 0.01 0.44 -0.15 -2.00 -0.36 0.00 0.00 175.35 173.29 1kee s GLU 892 N -0.22 0.90 0.43 4.03 2.56 -0.52 -0.77 118.70 125.11 1kee s GLU 892 Ca 0.03 -1.03 0.08 0.00 0.00 0.00 0.00 54.97 54.04 1kee s GLU 892 Cb -0.13 -0.92 -0.01 0.00 2.00 0.00 0.00 34.13 35.06 1kee s GLU 892 CO 0.03 0.20 0.39 0.14 -0.56 0.00 0.00 175.26 175.46 1kee s VAL 893 N -1.40 2.58 -0.08 3.70 -7.23 -1.26 0.06 120.40 116.77 1kee s VAL 893 Ca 0.01 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 1kee s VAL 893 Cb -0.09 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.93 1kee s VAL 893 CO 0.03 0.00 -0.15 0.68 -0.31 0.00 0.00 175.10 175.35 1kee s VAL 894 N -2.50 1.36 -0.03 1.32 -7.23 -0.72 -4.89 120.40 107.71 1kee s VAL 894 Ca 0.48 -0.61 0.01 0.00 -1.81 0.00 0.00 61.98 60.05 1kee s VAL 894 Cb -0.03 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 1kee s VAL 894 CO 0.28 0.41 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.68 1kee s LEU 895 N 0.61 3.37 -0.02 1.32 1.43 -1.26 -1.53 118.68 122.60 1kee s LEU 895 Ca -0.15 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1kee s LEU 895 Cb -0.16 -1.86 0.11 0.00 0.03 0.00 0.00 46.19 44.31 1kee s LEU 895 CO 0.05 0.32 0.90 -0.81 0.23 0.00 0.00 176.35 177.03 1kee n PRO 896 N 1.76 1.42 -0.30 1.29 -0.04 -1.26 -4.50 135.00 133.37 1kee n PRO 896 Ca -0.16 -0.44 0.09 0.00 -0.04 0.00 0.00 63.50 62.95 1kee n PRO 896 Cb 0.53 -1.34 0.25 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.64 0.71 -0.42 0.54 0.04 -1.92 -0.56 116.94 115.96 1kee h PHE 897 Ca 0.00 0.04 0.12 0.00 2.80 0.00 0.00 57.97 60.93 1kee h PHE 897 Cb 0.42 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1kee h PHE 897 CO 0.12 0.09 0.39 -2.95 -0.60 0.00 0.00 178.31 175.36 1kee h ASN 898 N 0.53 0.00 1.87 2.17 -1.07 -1.98 -0.54 115.58 116.55 1kee h ASN 898 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.87 1kee h ASN 898 Cb 0.80 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.05 1kee h ASN 898 CO -0.43 0.00 -0.13 0.11 0.07 0.00 0.00 177.43 177.05 1kee h LYS 899 N 0.00 0.00 -2.18 4.14 1.79 -1.46 -3.38 116.57 115.49 1kee h LYS 899 Ca 0.20 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 58.09 1kee h LYS 899 Cb 0.99 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.23 1kee h LYS 899 CO -0.00 0.00 -0.85 1.19 -1.08 0.00 0.00 179.45 178.71 1kee n PHE 900 N -3.04 1.47 -0.32 -1.35 3.72 -0.21 -4.97 117.46 112.75 1kee n PHE 900 Ca 0.04 -3.83 0.28 0.00 -0.05 0.00 0.00 57.45 53.88 1kee n PHE 900 Cb 0.53 -0.41 0.62 0.00 -0.94 0.00 0.00 39.48 39.28 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 4.29 0.21 0.00 -1.08 0.13 -1.74 0.20 132.00 134.01 1kee h PRO 901 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1kee h PRO 901 Cb 0.78 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1kee h PRO 901 CO 0.62 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 1kee n GLY 902 N -1.60 -0.62 3.85 1.56 0.00 -1.26 -4.75 105.19 102.38 1kee n GLY 902 Ca 0.25 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.65 4.98 -0.47 1.61 1.01 0.06 -4.62 120.40 120.32 1kee s VAL 903 Ca 0.08 0.71 -0.27 0.00 0.00 0.00 0.00 61.98 62.50 1kee s VAL 903 Cb 0.06 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1kee s VAL 903 CO 0.14 0.35 1.01 -0.62 0.00 0.00 0.00 175.10 175.98 1kee s ASP 904 N -1.56 6.56 -0.21 3.32 3.68 -1.26 -4.89 116.67 122.30 1kee s ASP 904 Ca 0.32 0.27 -0.03 0.00 2.13 0.00 0.00 52.55 55.25 1kee s ASP 904 Cb -0.15 -2.49 -0.09 0.00 -1.45 0.00 0.00 42.92 38.74 1kee s ASP 904 CO 0.18 -1.13 1.78 -2.65 0.13 0.00 0.00 175.17 173.48 1kee n PRO 905 N 7.44 1.03 -4.91 4.34 -0.02 -1.26 -4.84 135.00 136.78 1kee n PRO 905 Ca 0.09 -0.66 -0.32 0.00 -2.02 0.00 0.00 63.50 60.59 1kee n PRO 905 Cb 0.49 -1.90 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 1kee n PRO 905 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kee s LEU 906 N 0.02 2.54 0.72 2.45 0.20 -1.26 -5.01 118.68 118.34 1kee s LEU 906 Ca 0.28 -0.33 -0.11 0.00 0.69 0.00 0.00 54.13 54.65 1kee s LEU 906 Cb 0.11 -1.49 0.02 0.00 -0.43 0.00 0.00 46.19 44.40 1kee s LEU 906 CO -0.01 0.31 1.08 -0.76 -0.29 0.00 0.00 176.35 176.68 1kee s LEU 907 N -0.94 2.90 0.00 -0.68 1.43 -1.26 -5.06 118.68 115.06 1kee s LEU 907 Ca 0.12 1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 54.45 1kee s LEU 907 Cb -0.10 -4.11 0.03 0.00 0.03 0.00 0.00 46.19 42.03 1kee s LEU 907 CO 0.02 -1.48 0.38 0.61 0.23 0.00 0.00 176.35 176.11 1kee n GLY 908 N -2.51 0.57 0.00 -3.19 0.00 -1.26 -4.99 105.19 93.81 1kee n GLY 908 Ca 0.07 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.27 0.01 -3.98 1.61 -0.04 0.40 -0.51 135.00 132.23 1kee n PRO 909 Ca 0.01 0.36 -0.35 0.00 -0.04 0.00 0.00 63.50 63.48 1kee n PRO 909 Cb 0.18 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.03 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 -2.98 3.86 0.05 0.54 2.12 -1.26 -4.43 118.70 116.60 1kee s GLU 910 Ca 0.04 -0.40 -0.31 0.00 0.36 0.00 0.00 54.97 54.67 1kee s GLU 910 Cb 0.05 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.16 1kee s GLU 910 CO 0.14 0.13 1.28 1.41 -0.54 0.00 0.00 175.26 177.69 1kee s MET 911 N 0.74 4.37 0.00 4.30 -2.45 -1.26 -4.78 119.30 120.22 1kee s MET 911 Ca 0.03 1.86 0.00 0.00 -1.25 0.00 0.00 55.69 56.33 1kee s MET 911 Cb -0.13 -3.39 0.00 0.00 1.25 0.00 0.00 34.83 32.55 1kee s MET 911 CO 0.02 -0.38 0.17 0.54 1.05 0.00 0.00 175.02 176.42 1kee n ARG 912 N 4.36 1.46 -1.77 4.11 3.00 -1.26 -4.87 116.66 121.69 1kee n ARG 912 Ca 0.11 -0.17 -0.33 0.00 -0.01 0.00 0.00 57.85 57.44 1kee n ARG 912 Cb 0.45 -0.59 0.05 0.00 0.00 0.00 0.00 32.46 32.36 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 -0.26 5.15 -0.10 0.55 1.04 -1.26 -4.34 113.70 114.48 1kee s SER 913 Ca 0.00 1.98 0.16 0.00 0.48 0.00 0.00 55.95 58.57 1kee s SER 913 Cb 0.00 -2.55 -0.23 0.00 0.10 0.00 0.00 66.02 63.34 1kee s SER 913 CO 0.00 -1.60 0.20 0.35 0.98 0.00 0.00 173.24 173.17 1kee n THR 914 N -2.42 0.62 -3.49 2.02 -2.24 -0.58 -4.53 114.28 103.66 1kee n THR 914 Ca 0.10 -0.56 -0.03 0.00 -2.27 0.00 0.00 64.05 61.29 1kee n THR 914 Cb 0.52 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1kee n THR 914 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 915 N 1.77 2.41 3.28 3.38 0.00 -1.01 -4.59 105.19 110.42 1kee n GLY 915 Ca -0.16 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 1kee n GLY 915 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kee s GLU 916 N -2.13 0.97 0.18 1.61 -1.05 -1.26 -1.75 118.70 115.26 1kee s GLU 916 Ca 0.06 -0.70 0.05 0.00 -0.15 0.00 0.00 54.97 54.23 1kee s GLU 916 Cb -0.01 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 34.06 1kee s GLU 916 CO 0.04 -0.35 -0.10 0.14 0.95 0.00 0.00 175.26 175.94 1kee s VAL 917 N -3.51 1.35 0.02 1.83 -7.23 0.11 -4.36 120.40 108.61 1kee s VAL 917 Ca 0.01 -2.11 0.06 0.00 -1.81 0.00 0.00 61.98 58.14 1kee s VAL 917 Cb 0.02 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1kee s VAL 917 CO -0.10 -0.63 -0.18 -0.32 -0.31 0.00 0.00 175.10 173.56 1kee s MET 918 N -3.73 1.29 -0.02 4.82 1.75 -0.62 -1.44 119.30 121.35 1kee s MET 918 Ca 0.20 -0.79 0.04 0.00 -1.25 0.00 0.00 55.69 53.89 1kee s MET 918 Cb 0.02 -1.33 -0.00 0.00 2.84 0.00 0.00 34.83 36.36 1kee s MET 918 CO 0.04 0.35 -0.13 0.20 -0.65 0.00 0.00 175.02 174.82 1kee s GLY 919 N -0.91 0.69 -0.18 2.11 0.00 0.48 -4.58 107.32 104.93 1kee s GLY 919 Ca 0.06 -0.54 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 1kee s GLY 919 CO 0.01 -0.34 -0.15 0.14 0.00 0.00 0.00 173.10 172.76 1kee s VAL 920 N -0.08 2.55 0.16 1.40 1.01 -1.26 -0.81 120.40 123.38 1kee s VAL 920 Ca 0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1kee s VAL 920 Cb -0.08 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1kee s VAL 920 CO 0.00 0.50 0.09 -0.83 0.00 0.00 0.00 175.10 174.87 1kee s GLY 921 N 1.17 1.20 0.21 4.51 0.00 -0.59 -4.56 107.32 109.26 1kee s GLY 921 Ca 0.02 -1.58 0.25 0.00 0.00 0.00 0.00 44.72 43.41 1kee s GLY 921 CO -0.06 -1.38 1.64 3.21 0.00 0.00 0.00 173.10 176.51 1kee h ARG 922 N 2.75 0.00 -4.55 2.90 3.08 -1.92 -0.39 114.38 116.25 1kee h ARG 922 Ca -0.35 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.47 1kee h ARG 922 Cb 1.22 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.12 1kee h ARG 922 CO 0.56 0.00 -0.64 0.95 -1.07 0.00 0.00 179.97 179.77 1kee s THR 923 N -3.13 0.21 0.22 2.04 -4.23 -1.26 -4.67 115.64 104.82 1kee s THR 923 Ca 0.09 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 58.59 1kee s THR 923 Cb 0.12 -2.19 0.16 0.00 1.34 0.00 0.00 72.50 71.93 1kee s THR 923 CO 0.64 -0.35 1.79 0.15 -0.54 0.00 0.00 174.62 176.31 1kee h PHE 924 N 2.76 1.18 -0.71 3.99 3.04 -1.94 -1.68 116.94 123.57 1kee h PHE 924 Ca -0.36 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 61.48 1kee h PHE 924 Cb 1.21 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 39.34 1kee h PHE 924 CO 0.44 0.89 0.35 0.00 -2.02 0.00 0.00 178.31 177.97 1kee h ALA 925 N 1.20 0.92 -0.36 2.41 0.00 -1.95 0.13 119.26 121.60 1kee h ALA 925 Ca 0.26 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1kee h ALA 925 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1kee h ALA 925 CO -0.02 0.47 -0.02 1.49 0.00 0.00 0.00 179.25 181.17 1kee h GLU 926 N 0.99 0.64 -0.42 0.00 4.81 -1.80 -1.50 114.58 117.31 1kee h GLU 926 Ca 0.25 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1kee h GLU 926 Cb 0.10 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1kee h GLU 926 CO -0.03 0.76 0.17 0.00 -0.73 0.00 0.00 179.01 179.19 1kee h ALA 927 N 0.86 0.54 -0.74 2.92 0.00 -1.02 -2.13 119.26 119.69 1kee h ALA 927 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1kee h ALA 927 Cb 0.48 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1kee h ALA 927 CO 0.02 0.14 0.44 0.35 0.00 0.00 0.00 179.25 180.21 1kee h PHE 928 N 0.53 0.99 -0.80 0.00 3.04 -0.73 -0.19 116.94 119.78 1kee h PHE 928 Ca 0.14 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 1kee h PHE 928 Cb 0.18 -0.32 -0.04 0.00 2.56 0.00 0.00 35.95 38.33 1kee h PHE 928 CO -0.00 0.67 0.38 0.00 -2.02 0.00 0.00 178.31 177.33 1kee h ALA 929 N 1.23 1.15 -0.27 2.41 0.00 -1.15 0.54 119.26 123.17 1kee h ALA 929 Ca 0.27 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1kee h ALA 929 Cb -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1kee h ALA 929 CO -0.05 0.64 -0.41 0.87 0.00 0.00 0.00 179.25 180.31 1kee h LYS 930 N 1.15 0.64 -0.14 0.00 1.57 -0.68 -0.61 116.57 118.49 1kee h LYS 930 Ca 0.28 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1kee h LYS 930 Cb 0.13 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1kee h LYS 930 CO -0.03 0.93 -0.10 0.00 -0.57 0.00 0.00 179.45 179.68 1kee h ALA 931 N 1.02 0.21 -0.35 3.86 0.00 -0.62 0.11 119.26 123.48 1kee h ALA 931 Ca 0.04 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1kee h ALA 931 Cb 0.93 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1kee h ALA 931 CO 0.08 0.04 0.13 0.37 0.00 0.00 0.00 179.25 179.87 1kee h GLN 932 N -0.03 0.28 -0.61 0.00 4.15 0.12 0.11 115.11 119.12 1kee h GLN 932 Ca 0.03 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1kee h GLN 932 Cb 0.60 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 1kee h GLN 932 CO 0.03 0.18 0.16 1.25 -1.93 0.00 0.00 178.83 178.52 1kee h LEU 933 N 0.28 0.92 -1.91 -2.39 5.85 -1.07 -2.50 115.31 114.49 1kee h LEU 933 Ca 0.16 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1kee h LEU 933 Cb 0.13 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1kee h LEU 933 CO -0.16 0.91 -0.08 1.23 -0.34 0.00 0.00 178.44 180.01 1kee h GLY 934 N 0.89 0.00 0.54 3.75 0.00 0.03 -1.10 103.07 107.18 1kee h GLY 934 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1kee h GLY 934 CO -0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1kee n SER 935 N -4.32 0.00 -0.14 0.19 3.41 0.31 -4.78 113.62 108.29 1kee n SER 935 Ca -0.03 -1.26 -0.01 0.00 -0.26 0.00 0.00 58.87 57.30 1kee n SER 935 Cb 0.16 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.77 -2.02 -4.75 4.04 4.05 -0.41 -4.89 115.26 110.51 1kee n ASN 936 Ca 0.11 0.01 -0.35 0.00 0.45 0.00 0.00 54.58 54.80 1kee n ASN 936 Cb 0.05 -0.79 0.04 0.00 1.23 0.00 0.00 39.78 40.31 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 -2.95 5.02 -0.24 1.20 0.15 -1.07 -4.93 113.70 110.88 1kee s SER 937 Ca 0.00 2.36 0.13 0.00 0.70 0.00 0.00 55.95 59.14 1kee s SER 937 Cb 0.00 -2.59 0.57 0.00 -1.71 0.00 0.00 66.02 62.29 1kee s SER 937 CO 0.00 -1.70 1.53 0.35 1.20 0.00 0.00 173.24 174.61 1kee n THR 938 N -1.83 2.52 -2.07 6.45 -2.24 -1.26 -4.87 114.28 110.98 1kee n THR 938 Ca 0.13 -2.06 -0.37 0.00 -2.27 0.00 0.00 64.05 59.48 1kee n THR 938 Cb 0.50 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.99 3.38 0.40 -0.78 0.00 -1.26 -4.33 119.30 113.72 1kee s MET 939 Ca 0.46 1.91 0.06 0.00 0.00 0.00 0.00 55.69 58.11 1kee s MET 939 Cb 0.38 -2.23 -0.07 0.00 0.00 0.00 0.00 34.83 32.92 1kee s MET 939 CO 0.07 -0.90 0.02 0.15 0.00 0.00 0.00 175.02 174.36 1kee s LYS 940 N -2.94 1.92 -0.08 4.11 -0.14 -1.26 -5.05 119.74 116.31 1kee s LYS 940 Ca 0.70 -2.10 0.18 0.00 -1.36 0.00 0.00 55.97 53.38 1kee s LYS 940 Cb -0.32 -1.47 0.63 0.00 -1.68 0.00 0.00 37.83 34.99 1kee s LYS 940 CO 0.37 -0.11 1.54 1.63 -0.76 0.00 0.00 175.35 178.02 1kee n LYS 941 N -0.94 3.32 -3.92 1.68 5.02 -1.26 -4.97 118.16 117.10 1kee n LYS 941 Ca -0.06 -2.71 -0.08 0.00 -2.02 0.00 0.00 58.31 53.44 1kee n LYS 941 Cb 0.67 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 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 -1.61 0.04 0.00 2.13 -3.43 -1.26 -4.86 115.29 106.30 1kee s HIS 942 Ca 0.46 -0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.26 1kee s HIS 942 Cb 0.28 0.49 0.00 0.00 -1.43 0.00 0.00 32.58 31.92 1kee s HIS 942 CO 0.24 -1.13 0.00 0.41 -2.00 0.00 0.00 174.74 172.25 1kee n GLY 943 N -0.43 0.38 3.43 -1.38 0.00 -1.26 -4.76 105.19 101.16 1kee n GLY 943 Ca -0.03 -2.19 -0.33 0.00 0.00 0.00 0.00 46.02 43.47 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 2.85 0.07 1.61 3.52 -1.26 -0.99 118.95 124.75 1kee s ARG 944 Ca 0.00 -0.70 0.03 0.00 -0.13 0.00 0.00 55.73 54.93 1kee s ARG 944 Cb 0.00 -2.47 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 1kee s ARG 944 CO 0.00 0.46 0.05 0.00 -0.81 0.00 0.00 175.30 175.00 1kee s ALA 945 N -0.29 3.46 -0.16 6.12 0.00 0.10 -1.08 121.76 129.91 1kee s ALA 945 Ca 0.02 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 1kee s ALA 945 Cb -0.13 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1kee s ALA 945 CO 0.03 0.72 -0.15 -1.17 0.00 0.00 0.00 175.76 175.19 1kee s LEU 946 N -2.24 2.48 -0.21 0.00 2.96 0.25 -1.43 118.68 120.49 1kee s LEU 946 Ca 0.27 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1kee s LEU 946 Cb -0.12 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1kee s LEU 946 CO 0.19 0.06 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.47 1kee s LEU 947 N 0.93 2.84 -0.37 -0.68 1.02 -0.30 -0.31 118.68 121.82 1kee s LEU 947 Ca -0.03 -0.40 0.03 0.00 0.02 0.00 0.00 54.13 53.75 1kee s LEU 947 Cb -0.15 -1.71 0.15 0.00 0.02 0.00 0.00 46.19 44.50 1kee s LEU 947 CO -0.02 0.00 0.35 -0.55 0.02 0.00 0.00 176.35 176.15 1kee s SER 948 N 1.35 1.43 0.16 2.29 0.15 0.64 -2.95 113.70 116.77 1kee s SER 948 Ca 0.04 -1.69 0.09 0.00 0.70 0.00 0.00 55.95 55.10 1kee s SER 948 Cb -0.14 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.54 1kee s SER 948 CO -0.03 -0.26 -0.14 0.68 1.20 0.00 0.00 173.24 174.68 1kee s VAL 949 N 1.36 2.96 0.93 4.45 -7.23 -1.26 -1.13 120.40 120.48 1kee s VAL 949 Ca 0.17 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 1kee s VAL 949 Cb -0.16 -2.42 0.15 0.00 0.56 0.00 0.00 36.38 34.50 1kee s VAL 949 CO -0.02 -0.04 1.10 0.00 -0.31 0.00 0.00 175.10 175.83 1kee s ARG 950 N -2.56 1.01 0.14 4.82 1.70 -0.80 -4.69 118.95 118.57 1kee s ARG 950 Ca 0.22 0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 55.76 1kee s ARG 950 Cb -0.09 -1.80 -0.08 0.00 -0.57 0.00 0.00 34.95 32.40 1kee s ARG 950 CO 0.13 -2.35 1.52 1.49 -1.08 0.00 0.00 175.30 175.01 1kee h GLU 951 N -1.62 -0.16 -0.49 3.89 4.57 -1.97 0.18 114.58 118.98 1kee h GLU 951 Ca -0.51 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 57.78 1kee h GLU 951 Cb 1.31 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.91 1kee h GLU 951 CO 0.58 -0.11 0.34 0.78 -1.18 0.00 0.00 179.01 179.42 1kee h GLY 952 N -0.16 0.33 1.30 1.92 0.00 -2.00 -2.06 103.07 102.39 1kee h GLY 952 Ca 0.12 -0.10 -0.28 0.00 0.00 0.00 0.00 47.33 47.07 1kee h GLY 952 CO -0.75 0.06 -1.49 -0.55 0.00 0.00 0.00 176.54 173.80 1kee h ASP 953 N 0.24 0.14 0.00 0.19 3.45 -1.61 -3.38 116.42 115.45 1kee h ASP 953 Ca 0.23 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1kee h ASP 953 Cb 0.59 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 1kee h ASP 953 CO -0.04 1.18 0.83 0.11 -1.57 0.00 0.00 179.24 179.74 1kee h LYS 954 N 0.02 0.00 0.04 3.56 1.57 0.07 -0.48 116.57 121.36 1kee h LYS 954 Ca -0.21 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.29 1kee h LYS 954 Cb 1.95 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.23 1kee h LYS 954 CO 0.12 0.00 -1.52 0.39 -0.57 0.00 0.00 179.45 177.86 1kee n GLU 955 N -2.03 0.62 0.18 3.15 4.71 -1.26 -4.33 120.64 121.68 1kee n GLU 955 Ca -0.00 0.47 0.05 0.00 -0.01 0.00 0.00 57.16 57.67 1kee n GLU 955 Cb 0.83 -1.73 0.27 0.00 -1.01 0.00 0.00 31.44 29.80 1kee n GLU 955 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1kee h ARG 956 N -0.68 0.00 -0.43 3.49 2.43 -1.38 -3.23 114.38 114.59 1kee h ARG 956 Ca -0.38 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 58.91 1kee h ARG 956 Cb 1.53 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.07 1kee h ARG 956 CO -0.13 0.42 0.36 -0.24 -1.51 0.00 0.00 179.97 178.87 1kee h VAL 957 N 0.00 0.59 -0.54 0.20 3.04 -1.64 -1.39 116.25 116.50 1kee h VAL 957 Ca -0.00 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.77 1kee h VAL 957 Cb 1.00 0.74 -0.07 0.00 -2.01 0.00 0.00 31.29 30.95 1kee h VAL 957 CO 0.05 0.00 0.18 0.58 -1.01 0.00 0.00 177.57 177.38 1kee h VAL 958 N 0.00 0.78 -0.64 1.51 2.07 -1.79 0.24 116.25 118.43 1kee h VAL 958 Ca 0.20 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 1kee h VAL 958 Cb 0.92 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1kee h VAL 958 CO -0.00 0.06 0.05 -0.78 0.02 0.00 0.00 177.57 176.92 1kee h ASP 959 N 0.35 1.06 -0.79 0.57 3.58 -1.50 -1.00 116.42 118.70 1kee h ASP 959 Ca 0.27 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 1kee h ASP 959 Cb 0.32 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 1kee h ASP 959 CO -0.29 1.08 0.31 0.25 -2.88 0.00 0.00 179.24 177.72 1kee h LEU 960 N 1.00 1.09 -0.73 2.28 5.85 -1.25 -0.12 115.31 123.44 1kee h LEU 960 Ca 0.19 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1kee h LEU 960 Cb 0.51 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1kee h LEU 960 CO 0.02 0.97 0.48 0.00 -0.34 0.00 0.00 178.44 179.57 1kee h ALA 961 N 1.18 0.94 -0.53 1.25 0.00 0.10 -0.94 119.26 121.26 1kee h ALA 961 Ca 0.26 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1kee h ALA 961 Cb 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1kee h ALA 961 CO -0.02 0.33 0.33 0.00 0.00 0.00 0.00 179.25 179.89 1kee h ALA 962 N 1.28 0.68 -0.16 0.00 0.00 -0.71 0.17 119.26 120.51 1kee h ALA 962 Ca 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1kee h ALA 962 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1kee h ALA 962 CO -0.07 0.06 0.10 0.87 0.00 0.00 0.00 179.25 180.21 1kee h LYS 963 N 0.67 0.22 -0.82 0.00 6.56 -0.32 0.34 116.57 123.22 1kee h LYS 963 Ca 0.20 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.77 1kee h LYS 963 Cb -0.02 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 31.55 1kee h LYS 963 CO -0.07 0.19 0.50 -0.07 -2.06 0.00 0.00 179.45 177.94 1kee h LEU 964 N 0.19 0.97 -0.47 2.94 3.38 -0.82 -0.46 115.31 121.04 1kee h LEU 964 Ca 0.06 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1kee h LEU 964 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1kee h LEU 964 CO -0.01 0.74 0.06 -0.07 0.09 0.00 0.00 178.44 179.25 1kee h LEU 965 N 1.12 0.76 -2.17 1.67 3.38 -0.03 -1.63 115.31 118.41 1kee h LEU 965 Ca 0.30 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1kee h LEU 965 Cb -0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1kee h LEU 965 CO -0.06 0.84 0.19 0.50 0.09 0.00 0.00 178.44 180.00 1kee h LYS 966 N 0.65 0.00 0.00 1.13 3.64 0.11 -0.06 116.57 122.05 1kee h LYS 966 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1kee h LYS 966 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1kee h LYS 966 CO 0.01 0.00 -0.12 0.37 -2.27 0.00 0.00 179.45 177.44 1kee h GLN 967 N 0.00 0.00 0.00 1.90 5.75 -0.23 -3.47 115.11 119.06 1kee h GLN 967 Ca 0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1kee h GLN 967 Cb 0.47 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.02 1kee h GLN 967 CO -0.00 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.59 1kee n GLY 968 N 1.15 1.04 3.84 2.39 0.00 -0.03 -4.88 105.19 108.68 1kee n GLY 968 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.83 -4.42 117.98 115.85 1kee s PHE 969 Ca 0.00 1.48 0.02 0.00 0.12 0.00 0.00 56.93 58.55 1kee s PHE 969 Cb 0.00 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.60 1kee s PHE 969 CO 0.00 -0.40 0.01 -1.21 -0.10 0.00 0.00 175.22 173.52 1kee s GLU 970 N -4.01 2.78 0.14 0.44 2.02 -0.16 -4.50 118.70 115.41 1kee s GLU 970 Ca 0.59 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 55.02 1kee s GLU 970 Cb -0.10 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 1kee s GLU 970 CO 0.30 0.61 -0.06 -0.51 0.02 0.00 0.00 175.26 175.63 1kee s LEU 971 N -1.76 3.15 0.04 1.80 1.43 -1.26 -0.72 118.68 121.36 1kee s LEU 971 Ca 0.22 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1kee s LEU 971 Cb -0.12 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1kee s LEU 971 CO 0.13 0.13 -0.09 -1.81 0.23 0.00 0.00 176.35 174.94 1kee s ASP 972 N -2.61 1.04 0.03 2.29 1.11 -0.51 -1.45 116.67 116.56 1kee s ASP 972 Ca 0.25 -0.49 -0.21 0.00 0.18 0.00 0.00 52.55 52.28 1kee s ASP 972 Cb -0.10 -0.01 0.05 0.00 1.07 0.00 0.00 42.92 43.93 1kee s ASP 972 CO 0.16 -0.12 0.48 0.00 1.18 0.00 0.00 175.17 176.87 1kee s ALA 973 N -1.14 -1.21 0.67 5.23 0.00 -0.35 -1.14 121.76 123.82 1kee s ALA 973 Ca -0.06 0.54 -0.10 0.00 0.00 0.00 0.00 51.96 52.35 1kee s ALA 973 Cb -0.09 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1kee s ALA 973 CO 0.01 -0.45 1.04 0.95 0.00 0.00 0.00 175.76 177.30 1kee s THR 974 N -2.23 3.50 0.03 0.00 -4.23 -1.15 -1.59 115.64 109.97 1kee s THR 974 Ca -0.07 0.31 -0.05 0.00 -1.18 0.00 0.00 61.69 60.71 1kee s THR 974 Cb -0.01 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.36 1kee s THR 974 CO -0.00 -0.56 0.95 1.57 -0.54 0.00 0.00 174.62 176.04 1kee n HIS 975 N -2.88 -0.07 -0.11 3.99 -0.00 -1.26 0.16 115.22 115.05 1kee n HIS 975 Ca 0.06 0.21 0.04 0.00 0.46 0.00 0.00 57.72 58.49 1kee n HIS 975 Cb 0.57 -0.46 0.36 0.00 -0.12 0.00 0.00 29.99 30.35 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 0.80 1.72 1.57 0.00 -1.95 -0.10 103.07 105.10 1kee h GLY 976 Ca 0.03 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 1kee h GLY 976 CO -0.16 0.26 -0.70 -0.84 0.00 0.00 0.00 176.54 175.10 1kee h THR 977 N 0.72 1.41 -0.35 4.70 2.02 -1.55 -2.96 112.91 116.90 1kee h THR 977 Ca 0.23 -2.17 -0.09 0.00 0.77 0.00 0.00 66.41 65.15 1kee h THR 977 Cb 0.04 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1kee h THR 977 CO -0.06 0.64 -0.17 0.00 0.37 0.00 0.00 175.52 176.31 1kee h ALA 978 N 1.07 1.05 0.34 6.16 0.00 0.11 -1.18 119.26 126.81 1kee h ALA 978 Ca -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1kee h ALA 978 Cb 1.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1kee h ALA 978 CO 0.11 0.57 -0.25 0.82 0.00 0.00 0.00 179.25 180.50 1kee h ILE 979 N 0.58 0.46 -0.50 0.00 1.08 -0.92 -0.10 117.51 118.11 1kee h ILE 979 Ca 0.09 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.59 1kee h ILE 979 Cb 0.61 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 1kee h ILE 979 CO 0.04 0.00 0.30 0.58 -0.69 0.00 0.00 178.15 178.38 1kee h VAL 980 N -0.59 1.04 -0.55 1.67 2.07 -1.43 -0.13 116.25 118.33 1kee h VAL 980 Ca -0.03 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1kee h VAL 980 Cb 0.51 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1kee h VAL 980 CO -0.00 0.11 0.25 -0.07 0.02 0.00 0.00 177.57 177.87 1kee h LEU 981 N 0.59 0.73 -0.54 2.57 3.38 -1.06 -3.05 115.31 117.93 1kee h LEU 981 Ca 0.20 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1kee h LEU 981 Cb 0.03 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1kee h LEU 981 CO -0.10 0.67 0.31 1.23 0.09 0.00 0.00 178.44 180.64 1kee h GLY 982 N 0.74 0.77 1.99 0.83 0.00 -0.09 0.25 103.07 107.57 1kee h GLY 982 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1kee h GLY 982 CO -0.02 0.16 0.00 1.18 0.00 0.00 0.00 176.54 177.86 1kee n GLU 983 N -4.82 0.00 -0.20 4.80 1.02 -0.14 -1.19 120.64 120.11 1kee n GLU 983 Ca 0.05 0.41 0.06 0.00 -0.02 0.00 0.00 57.16 57.66 1kee n GLU 983 Cb 0.11 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.20 1kee n GLU 983 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kee n ALA 984 N -1.50 2.26 -0.16 0.62 0.00 0.01 -4.96 120.51 116.78 1kee n ALA 984 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1kee n ALA 984 Cb 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.43 0.80 3.14 0.00 0.00 -0.34 -5.07 105.19 104.15 1kee n GLY 985 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.11 2.31 -0.57 -0.61 1.01 -0.79 -5.00 121.20 115.44 1kee s ILE 986 Ca 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.47 1kee s ILE 986 Cb 0.00 -2.09 0.14 0.00 0.01 0.00 0.00 42.46 40.52 1kee s ILE 986 CO 0.00 0.36 0.48 0.20 0.00 0.00 0.00 174.94 175.97 1kee s ASN 987 N 1.27 6.00 1.03 3.58 0.02 -1.26 -1.68 114.94 123.90 1kee s ASN 987 Ca 0.01 -2.09 -0.17 0.00 -1.02 0.00 0.00 52.86 49.59 1kee s ASN 987 Cb -0.15 -2.10 0.23 0.00 0.02 0.00 0.00 41.25 39.25 1kee s ASN 987 CO -0.09 -0.70 1.28 -2.16 0.02 0.00 0.00 177.10 175.45 1kee s PRO 988 N 1.11 0.10 -0.18 -0.60 0.04 -1.26 -4.98 135.00 129.22 1kee s PRO 988 Ca 0.08 -0.38 -0.21 0.00 0.04 0.00 0.00 61.00 60.54 1kee s PRO 988 Cb -0.24 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1kee s PRO 988 CO -0.01 -2.78 0.61 0.50 0.04 0.00 0.00 177.00 175.36 1kee s ARG 989 N -5.81 4.24 0.32 4.56 3.52 -0.53 -4.91 118.95 120.34 1kee s ARG 989 Ca 0.74 0.60 -0.28 0.00 -0.13 0.00 0.00 55.73 56.66 1kee s ARG 989 Cb -0.04 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.70 1kee s ARG 989 CO 0.54 -0.18 1.09 -1.17 -0.81 0.00 0.00 175.30 174.77 1kee s LEU 990 N 1.70 4.42 0.12 -0.88 2.96 -1.26 -1.21 118.68 124.54 1kee s LEU 990 Ca 0.29 2.22 0.08 0.00 -0.22 0.00 0.00 54.13 56.50 1kee s LEU 990 Cb -0.16 -3.79 -0.04 0.00 0.50 0.00 0.00 46.19 42.70 1kee s LEU 990 CO 0.11 -0.27 -0.18 0.54 -1.32 0.00 0.00 176.35 175.22 1kee s VAL 991 N -1.30 1.62 -0.03 1.68 0.11 -0.62 -4.86 120.40 117.00 1kee s VAL 991 Ca 0.49 -1.68 -0.15 0.00 -2.93 0.00 0.00 61.98 57.71 1kee s VAL 991 Cb -0.30 -1.60 -0.05 0.00 -1.53 0.00 0.00 36.38 32.90 1kee s VAL 991 CO 0.38 -0.23 0.39 0.20 -3.33 0.00 0.00 175.10 172.51 1kee s ASN 992 N -2.24 6.75 0.95 3.54 0.02 -1.26 -4.23 114.94 118.46 1kee s ASN 992 Ca 0.09 0.89 -0.12 0.00 -1.02 0.00 0.00 52.86 52.70 1kee s ASN 992 Cb -0.08 -2.24 0.16 0.00 0.02 0.00 0.00 41.25 39.11 1kee s ASN 992 CO 0.05 0.28 1.09 -0.54 0.02 0.00 0.00 177.10 177.99 1kee s LYS 993 N -0.78 0.85 0.25 -0.60 1.02 -1.26 -1.64 119.74 117.57 1kee s LYS 993 Ca 0.23 0.79 -0.04 0.00 0.02 0.00 0.00 55.97 56.97 1kee s LYS 993 Cb -0.16 -1.76 0.36 0.00 -0.52 0.00 0.00 37.83 35.75 1kee s LYS 993 CO 0.12 -2.51 1.86 0.28 -0.92 0.00 0.00 175.35 174.17 1kee h VAL 994 N -1.75 1.05 0.00 3.17 2.07 -1.95 -0.86 116.25 117.98 1kee h VAL 994 Ca -0.51 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1kee h VAL 994 Cb 1.30 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1kee h VAL 994 CO 0.54 0.19 0.00 0.00 0.02 0.00 0.00 177.57 178.32 1kee n HIS 995 N -4.59 0.00 0.02 1.57 1.44 -1.26 -3.47 115.22 108.92 1kee n HIS 995 Ca 0.13 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.81 1kee n HIS 995 Cb 0.19 -0.29 -0.10 0.00 0.12 0.00 0.00 29.99 29.91 1kee n HIS 995 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1kee h GLU 996 N 0.00 0.00 0.00 -1.40 5.08 -1.48 -3.50 114.58 113.27 1kee h GLU 996 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1kee h GLU 996 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1kee h GLU 996 CO 0.00 0.38 0.00 0.41 -1.00 0.00 0.00 179.01 178.80 1kee n GLY 997 N 1.45 -0.27 3.05 -3.84 0.00 -1.17 -4.90 105.19 99.51 1kee n GLY 997 Ca -0.12 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 0.46 0.49 1.61 0.52 -1.26 -3.50 118.95 115.27 1kee s ARG 998 Ca 0.00 -0.77 -0.18 0.00 -0.52 0.00 0.00 55.73 54.26 1kee s ARG 998 Cb 0.00 0.17 -0.09 0.00 0.52 0.00 0.00 34.95 35.55 1kee s ARG 998 CO 0.00 -0.09 0.98 -2.14 0.02 0.00 0.00 175.30 174.07 1kee s PRO 999 N -2.30 4.00 0.12 3.54 0.02 -1.26 -5.00 135.00 134.11 1kee s PRO 999 Ca -0.08 1.04 0.02 0.00 0.02 0.00 0.00 61.00 62.00 1kee s PRO 999 Cb -0.04 -2.14 0.02 0.00 0.02 0.00 0.00 34.50 32.36 1kee s PRO 999 CO -0.04 -0.23 0.15 -2.39 -0.33 0.00 0.00 177.00 174.16 1kee n HIS 1000N -1.28 -2.66 -0.14 6.54 1.44 -1.23 -4.12 115.22 113.77 1kee n HIS 1000Ca 0.07 -0.43 -0.03 0.00 -2.01 0.00 0.00 57.72 55.32 1kee n HIS 1000Cb 0.54 -0.11 0.05 0.00 0.12 0.00 0.00 29.99 30.59 1kee n HIS 1000CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 1kee h ILE 1001N 0.09 0.69 -0.33 0.61 -0.00 -1.59 -1.71 117.51 115.26 1kee h ILE 1001Ca -0.06 -0.06 0.07 0.00 -0.00 0.00 0.00 64.86 64.82 1kee h ILE 1001Cb 0.25 0.51 -0.07 0.00 -0.00 0.00 0.00 36.82 37.51 1kee h ILE 1001CO 0.08 0.03 -0.17 -0.61 -0.00 0.00 0.00 178.15 177.48 1kee h GLN 1002N 0.17 -0.12 0.03 0.16 -0.00 -1.92 0.27 115.11 113.71 1kee h GLN 1002Ca 0.23 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 1kee h GLN 1002Cb 0.32 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.82 1kee h GLN 1002CO -0.34 -0.08 -0.03 -0.44 0.00 0.00 0.00 178.83 177.94 1kee h ASP 1003N -0.12 -0.09 -0.85 -0.69 3.45 -1.84 -0.07 116.42 116.21 1kee h ASP 1003Ca 0.17 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.64 1kee h ASP 1003Cb 0.38 0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 39.14 1kee h ASP 1003CO -0.41 -0.05 0.51 0.03 -1.57 0.00 0.00 179.24 177.74 1kee h ARG 1004N -0.07 1.15 0.58 3.56 3.08 -0.48 -0.60 114.38 121.60 1kee h ARG 1004Ca 0.01 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1kee h ARG 1004Cb 0.08 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 29.89 1kee h ARG 1004CO -0.02 0.81 -0.28 0.82 -1.07 0.00 0.00 179.97 180.23 1kee h ILE 1005N 1.16 0.41 -0.75 2.04 2.04 -0.22 -0.03 117.51 122.15 1kee h ILE 1005Ca 0.30 -0.11 0.18 0.00 1.00 0.00 0.00 64.86 66.24 1kee h ILE 1005Cb -0.04 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1kee h ILE 1005CO -0.06 0.02 0.52 0.50 0.00 0.00 0.00 178.15 179.13 1kee h LYS 1006N -0.85 0.22 -0.10 2.37 3.64 -0.91 0.12 116.57 121.06 1kee h LYS 1006Ca -0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1kee h LYS 1006Cb 0.63 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1kee h LYS 1006CO 0.13 0.15 0.00 0.09 -2.27 0.00 0.00 179.45 177.55 1kee n ASN 1007N -4.42 0.82 -0.40 4.20 4.13 -0.24 -4.89 115.26 114.46 1kee n ASN 1007Ca 0.15 -1.67 -0.04 0.00 1.68 0.00 0.00 54.58 54.69 1kee n ASN 1007Cb 0.67 -0.07 -0.01 0.00 -1.54 0.00 0.00 39.78 38.83 1kee n ASN 1007CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kee n GLY 1008N 0.90 0.48 0.23 7.41 0.00 0.40 -4.94 105.19 109.68 1kee n GLY 1008Ca 0.13 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.36 -6.18 1.61 5.08 -1.18 -3.45 114.58 110.82 1kee h GLU 1009Ca -0.09 -0.13 -0.65 0.00 -1.00 0.00 0.00 59.36 57.49 1kee h GLU 1009Cb 0.63 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.75 1kee h GLU 1009CO 0.12 0.59 -0.62 0.71 -1.00 0.00 0.00 179.01 178.82 1kee s TYR 1010N -4.49 3.14 -0.56 4.33 2.02 -1.26 -4.22 117.35 116.31 1kee s TYR 1010Ca -0.06 0.08 0.11 0.00 -0.37 0.00 0.00 57.07 56.83 1kee s TYR 1010Cb 0.14 -1.63 -0.11 0.00 -0.40 0.00 0.00 41.96 39.96 1kee s TYR 1010CO 0.77 0.50 0.48 0.25 -1.57 0.00 0.00 175.55 175.99 1kee n THR 1011N 0.82 0.00 -3.68 -0.71 -2.24 -0.24 -4.92 114.28 103.30 1kee n THR 1011Ca -0.11 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.28 1kee n THR 1011Cb 0.52 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.68 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 -2.00 -0.59 -0.03 4.78 5.04 -1.21 -3.89 117.35 119.45 1kee s TYR 1012Ca 0.05 1.40 0.01 0.00 -2.44 0.00 0.00 57.07 56.09 1kee s TYR 1012Cb 0.08 0.21 0.01 0.00 0.35 0.00 0.00 41.96 42.62 1kee s TYR 1012CO 0.44 -0.31 -0.05 0.42 -1.34 0.00 0.00 175.55 174.70 1kee s ILE 1013N 0.13 0.53 -0.26 3.14 1.01 -0.63 -0.59 121.20 124.54 1kee s ILE 1013Ca -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1kee s ILE 1013Cb -0.04 -0.52 0.05 0.00 0.01 0.00 0.00 42.46 41.96 1kee s ILE 1013CO 0.01 0.20 -0.08 -0.51 0.00 0.00 0.00 174.94 174.56 1kee s ILE 1014N 0.55 2.48 -0.28 2.92 1.10 0.58 -1.52 121.20 127.03 1kee s ILE 1014Ca -0.07 -1.43 -0.01 0.00 -0.51 0.00 0.00 60.65 58.63 1kee s ILE 1014Cb -0.11 -2.39 0.09 0.00 0.15 0.00 0.00 42.46 40.20 1kee s ILE 1014CO 0.00 0.03 0.08 0.21 -2.11 0.00 0.00 174.94 173.14 1kee s ASN 1015N 1.19 3.83 -0.07 4.50 3.04 -0.85 -0.26 114.94 126.31 1kee s ASN 1015Ca -0.06 -1.46 0.01 0.00 0.04 0.00 0.00 52.86 51.39 1kee s ASN 1015Cb -0.19 -0.84 -0.03 0.00 -1.54 0.00 0.00 41.25 38.65 1kee s ASN 1015CO -0.05 -0.38 -0.07 0.42 -3.04 0.00 0.00 177.10 173.98 1kee s THR 1016N 1.64 3.67 0.21 -5.21 -4.23 -0.28 -4.35 115.64 107.09 1kee s THR 1016Ca 0.07 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 1kee s THR 1016Cb -0.17 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 1kee s THR 1016CO -0.21 0.59 -0.01 -0.89 -0.54 0.00 0.00 174.62 173.56 1kee s THR 1017N -0.74 0.98 -0.24 3.99 2.01 -1.26 -1.91 115.64 118.47 1kee s THR 1017Ca 0.11 -2.03 -0.12 0.00 0.31 0.00 0.00 61.69 59.96 1kee s THR 1017Cb -0.11 -2.25 0.08 0.00 0.01 0.00 0.00 72.50 70.23 1kee s THR 1017CO 0.01 -0.40 0.56 -0.55 -0.69 0.00 0.00 174.62 173.56 1kee s SER 1018N -3.27 -0.76 0.00 3.53 0.15 -1.26 -4.93 113.70 107.16 1kee s SER 1018Ca 0.26 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.18 1kee s SER 1018Cb 0.05 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.66 1kee s SER 1018CO 0.07 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1kee n GLY 1019N 4.55 2.50 0.25 9.45 0.00 -1.26 -4.49 105.19 116.19 1kee n GLY 1019Ca -0.19 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.25 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 0.45 -0.10 1.61 9.65 -2.00 -1.50 114.38 122.50 1kee h ARG 1020Ca 0.00 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 1kee h ARG 1020Cb 0.00 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.48 1kee h ARG 1020CO 0.00 0.30 -0.08 -0.09 2.80 0.00 0.00 179.97 182.90 1kee h ARG 1021N 0.47 0.23 0.00 0.20 1.12 -1.99 -1.18 114.38 113.24 1kee h ARG 1021Ca 0.34 -0.11 -0.00 0.00 -1.11 0.00 0.00 59.98 59.09 1kee h ARG 1021Cb 0.43 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.39 1kee h ARG 1021CO -0.32 0.62 -0.02 0.00 -3.11 0.00 0.00 179.97 177.15 1kee h ALA 1022N 0.60 1.81 0.27 2.80 0.00 -1.75 -1.15 119.26 121.85 1kee h ALA 1022Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1kee h ALA 1022Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1kee h ALA 1022CO 0.02 0.02 -0.13 0.82 0.00 0.00 0.00 179.25 179.98 1kee h ILE 1023N 0.00 0.29 -0.25 0.00 2.04 -1.20 -2.86 117.51 115.53 1kee h ILE 1023Ca -0.00 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.09 1kee h ILE 1023Cb 0.04 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1kee h ILE 1023CO 0.00 0.08 0.38 -0.33 0.00 0.00 0.00 178.15 178.28 1kee h GLU 1024N -1.04 0.00 0.05 2.37 5.08 -0.82 -2.13 114.58 118.09 1kee h GLU 1024Ca -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1kee h GLU 1024Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1kee h GLU 1024CO 0.06 0.00 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.61 1kee h ASP 1025N 0.00 -0.06 0.20 1.42 3.45 -1.27 -3.34 116.42 116.82 1kee h ASP 1025Ca 0.12 -0.43 0.00 0.00 0.43 0.00 0.00 57.03 57.14 1kee h ASP 1025Cb 0.88 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.67 1kee h ASP 1025CO -0.00 0.62 0.00 -1.54 -1.57 0.00 0.00 179.24 176.75 1kee n SER 1026N -4.77 0.00 -0.32 6.45 3.41 -0.92 -4.04 113.62 113.42 1kee n SER 1026Ca -0.06 -0.20 0.22 0.00 -0.26 0.00 0.00 58.87 58.58 1kee n SER 1026Cb 0.24 -0.18 0.43 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 0.11 -0.53 4.33 2.43 -1.53 0.58 114.38 119.76 1kee h ARG 1027Ca 0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1kee h ARG 1027Cb 0.10 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1kee h ARG 1027CO 0.00 0.07 0.36 -0.24 -1.51 0.00 0.00 179.97 178.65 1kee h VAL 1028N 0.11 1.02 -0.29 0.20 3.04 -1.88 0.53 116.25 118.99 1kee h VAL 1028Ca 0.70 -0.19 -0.06 0.00 -1.01 0.00 0.00 66.70 66.14 1kee h VAL 1028Cb 1.63 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1kee h VAL 1028CO -0.75 0.10 -0.05 0.40 -1.01 0.00 0.00 177.57 176.26 1kee h ILE 1029N 0.55 1.28 -0.30 3.17 5.03 -1.19 -1.47 117.51 124.56 1kee h ILE 1029Ca 0.22 -1.06 -0.05 0.00 -0.12 0.00 0.00 64.86 63.86 1kee h ILE 1029Cb 0.20 1.38 -0.01 0.00 -3.03 0.00 0.00 36.82 35.36 1kee h ILE 1029CO -0.06 0.34 0.01 0.03 -0.68 0.00 0.00 178.15 177.79 1kee h ARG 1030N 0.31 0.52 -0.43 2.37 3.08 -1.42 -1.19 114.38 117.63 1kee h ARG 1030Ca 0.08 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1kee h ARG 1030Cb 0.52 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1kee h ARG 1030CO 0.02 0.66 0.09 0.00 -1.07 0.00 0.00 179.97 179.67 1kee h ARG 1031N 0.32 0.70 -0.52 0.04 3.08 -0.96 -2.63 114.38 114.41 1kee h ARG 1031Ca 0.09 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1kee h ARG 1031Cb 0.41 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1kee h ARG 1031CO 0.01 0.72 0.31 0.77 -1.07 0.00 0.00 179.97 180.71 1kee h SER 1032N 0.56 0.63 -0.77 7.04 0.02 -1.15 -1.13 113.55 118.75 1kee h SER 1032Ca 0.13 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1kee h SER 1032Cb 0.35 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 1kee h SER 1032CO 0.00 0.51 0.48 0.00 -1.14 0.00 0.00 176.83 176.68 1kee h ALA 1033N 1.14 1.01 -0.02 3.77 0.00 -1.14 0.55 119.26 124.58 1kee h ALA 1033Ca 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1kee h ALA 1033Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1kee h ALA 1033CO -0.03 0.26 -0.00 1.25 0.00 0.00 0.00 179.25 180.72 1kee h LEU 1034N 0.92 0.04 -1.49 0.00 5.85 -1.27 0.24 115.31 119.59 1kee h LEU 1034Ca 0.31 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1kee h LEU 1034Cb 0.05 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1kee h LEU 1034CO -0.13 0.37 0.35 -0.61 -0.34 0.00 0.00 178.44 178.09 1kee h GLN 1035N -0.29 0.67 -0.12 1.25 4.15 -0.86 -1.50 115.11 118.40 1kee h GLN 1035Ca 0.01 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1kee h GLN 1035Cb 0.35 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1kee h GLN 1035CO 0.00 0.45 0.00 0.66 -1.93 0.00 0.00 178.83 178.01 1kee n TYR 1036N -4.46 0.15 -2.96 3.99 4.02 0.15 -4.94 117.16 113.12 1kee n TYR 1036Ca 0.05 -0.07 -0.17 0.00 -0.01 0.00 0.00 57.90 57.70 1kee n TYR 1036Cb 0.07 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.43 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 0.33 -4.30 -3.57 -0.72 4.76 -0.36 -5.01 118.16 109.29 1kee n LYS 1037Ca 0.17 0.67 -0.36 0.00 -2.87 0.00 0.00 58.31 55.92 1kee n LYS 1037Cb 0.35 -5.07 -0.07 0.00 -1.84 0.00 0.00 35.03 28.41 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 -3.08 5.30 0.26 -0.18 1.01 0.69 -4.79 120.40 119.62 1kee s VAL 1038Ca 0.28 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 1kee s VAL 1038Cb -0.13 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 1kee s VAL 1038CO 0.35 0.42 1.58 -2.28 0.00 0.00 0.00 175.10 175.18 1kee s HIS 1039N 0.22 2.86 0.02 5.22 2.46 -1.25 -4.58 115.29 120.23 1kee s HIS 1039Ca 0.16 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.43 1kee s HIS 1039Cb -0.13 -4.02 -0.02 0.00 -0.13 0.00 0.00 32.58 28.28 1kee s HIS 1039CO 0.04 -3.53 -0.03 1.52 -2.47 0.00 0.00 174.74 170.28 1kee s TYR 1040N 0.30 0.22 -0.04 3.88 -0.85 -1.26 -1.60 117.35 118.00 1kee s TYR 1040Ca 0.65 -0.46 0.06 0.00 -0.52 0.00 0.00 57.07 56.81 1kee s TYR 1040Cb -0.47 -0.16 -0.01 0.00 0.38 0.00 0.00 41.96 41.70 1kee s TYR 1040CO 0.43 -0.16 -0.24 -0.51 -1.52 0.00 0.00 175.55 173.54 1kee s ASP 1041N -1.26 2.91 0.00 -0.18 -0.00 -0.57 -4.98 116.67 112.59 1kee s ASP 1041Ca -0.14 -0.47 0.19 0.00 -0.00 0.00 0.00 52.55 52.13 1kee s ASP 1041Cb -0.09 -0.64 0.25 0.00 -0.00 0.00 0.00 42.92 42.44 1kee s ASP 1041CO -0.01 0.25 1.20 0.35 -0.00 0.00 0.00 175.17 176.96 1kee n THR 1042N 2.81 0.25 -4.19 -1.27 -2.24 -1.26 -2.01 114.28 106.36 1kee n THR 1042Ca -0.17 -0.62 -0.17 0.00 -2.27 0.00 0.00 64.05 60.82 1kee n THR 1042Cb 0.52 1.18 -0.12 0.00 -2.10 0.00 0.00 70.33 69.81 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 -1.47 0.87 0.15 4.28 -4.23 -1.26 -4.52 115.64 109.46 1kee s THR 1043Ca 0.27 -1.03 -0.05 0.00 -1.18 0.00 0.00 61.69 59.70 1kee s THR 1043Cb 0.17 -0.84 -0.12 0.00 1.34 0.00 0.00 72.50 73.06 1kee s THR 1043CO 0.25 -0.17 1.40 0.25 -0.54 0.00 0.00 174.62 175.81 1kee h LEU 1044N 4.72 0.64 -0.87 4.79 5.85 -1.95 -1.39 115.31 127.09 1kee h LEU 1044Ca -0.37 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 1kee h LEU 1044Cb 1.19 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1kee h LEU 1044CO 0.42 1.17 0.49 0.78 -0.34 0.00 0.00 178.44 180.97 1kee h ASN 1045N 0.37 1.08 -0.19 1.25 2.35 -1.96 -0.21 115.58 118.27 1kee h ASN 1045Ca -0.04 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.56 1kee h ASN 1045Cb 1.33 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 1kee h ASN 1045CO 0.14 0.86 -0.07 1.23 -1.65 0.00 0.00 177.43 177.94 1kee h GLY 1046N 1.22 0.56 0.96 2.83 0.00 -1.77 -2.77 103.07 104.10 1kee h GLY 1046Ca 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1kee h GLY 1046CO -0.05 0.34 0.20 -1.33 0.00 0.00 0.00 176.54 175.70 1kee h GLY 1047N 0.89 0.58 1.33 4.60 0.00 0.01 -1.50 103.07 109.00 1kee h GLY 1047Ca 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1kee h GLY 1047CO 0.02 0.27 0.35 0.74 0.00 0.00 0.00 176.54 177.92 1kee h PHE 1048N 0.49 0.86 -0.36 5.60 0.04 -0.96 -0.84 116.94 121.76 1kee h PHE 1048Ca 0.13 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 1kee h PHE 1048Cb 0.09 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1kee h PHE 1048CO -0.02 0.60 -0.12 0.00 -0.60 0.00 0.00 178.31 178.17 1kee h ALA 1049N 1.50 0.50 -0.39 2.45 0.00 -1.19 0.29 119.26 122.41 1kee h ALA 1049Ca 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1kee h ALA 1049Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1kee h ALA 1049CO -0.04 0.38 0.16 1.15 0.00 0.00 0.00 179.25 180.90 1kee h THR 1050N 0.50 1.19 -0.34 0.00 2.02 -1.05 -1.18 112.91 114.06 1kee h THR 1050Ca 0.09 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1kee h THR 1050Cb 0.64 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1kee h THR 1050CO 0.04 0.22 0.16 0.00 0.37 0.00 0.00 175.52 176.31 1kee h ALA 1051N 1.00 0.41 -0.85 6.16 0.00 -0.95 -2.16 119.26 122.87 1kee h ALA 1051Ca 0.13 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1kee h ALA 1051Cb 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1kee h ALA 1051CO -0.01 -0.22 0.55 0.52 0.00 0.00 0.00 179.25 180.09 1kee h MET 1052N 0.33 0.87 0.00 0.00 2.86 -0.62 -0.24 114.93 118.13 1kee h MET 1052Ca 0.14 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1kee h MET 1052Cb 0.06 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1kee h MET 1052CO -0.10 0.57 0.00 0.00 1.06 0.00 0.00 176.91 178.44 1kee n ALA 1053N -2.42 1.85 0.28 6.32 0.00 -0.47 -2.62 120.51 123.44 1kee n ALA 1053Ca 0.13 -0.03 0.16 0.00 0.00 0.00 0.00 53.44 53.70 1kee n ALA 1053Cb 0.25 -1.33 0.78 0.00 0.00 0.00 0.00 19.45 19.15 1kee n ALA 1053CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1kee h LEU 1054N 0.00 0.00 -0.45 0.00 3.38 -0.81 -1.39 115.31 116.04 1kee h LEU 1054Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kee h LEU 1054Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1kee h LEU 1054CO 0.00 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.19 1kee n ASN 1055N -3.32 0.70 -4.51 -0.43 5.03 -1.08 -4.88 115.26 106.77 1kee n ASN 1055Ca -0.01 -1.26 -0.24 0.00 0.87 0.00 0.00 54.58 53.94 1kee n ASN 1055Cb 0.25 -0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.90 1kee n ASN 1055CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kee s ALA 1056N -1.99 2.72 -0.29 5.41 0.00 -0.52 -5.03 121.76 122.06 1kee s ALA 1056Ca 0.42 -2.07 0.02 0.00 0.00 0.00 0.00 51.96 50.33 1kee s ALA 1056Cb 0.21 0.16 0.09 0.00 0.00 0.00 0.00 23.12 23.57 1kee s ALA 1056CO 0.34 -0.05 0.02 0.34 0.00 0.00 0.00 175.76 176.41 1kee s ASP 1057N -3.56 4.24 0.62 0.00 3.68 -1.26 -5.00 116.67 115.39 1kee s ASP 1057Ca 0.32 -1.65 0.38 0.00 2.13 0.00 0.00 52.55 53.73 1kee s ASP 1057Cb 0.05 -1.26 2.06 0.00 -1.45 0.00 0.00 42.92 42.32 1kee s ASP 1057CO 0.15 -0.33 2.27 0.00 0.13 0.00 0.00 175.17 177.39 1kee h ALA 1058N 7.87 1.17 -0.01 3.66 0.00 -1.88 -1.64 119.26 128.42 1kee h ALA 1058Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1kee h ALA 1058Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1kee h ALA 1058CO 0.47 0.02 -0.36 0.25 0.00 0.00 0.00 179.25 179.63 1kee n THR 1059N -3.34 0.00 0.05 0.00 -2.24 -1.26 -4.45 114.28 103.03 1kee n THR 1059Ca -0.02 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 1kee n THR 1059Cb 0.12 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.15 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 1.94 -0.10 -4.34 -0.78 4.81 -1.71 -3.45 114.58 110.96 1kee h GLU 1060Ca 0.00 0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.95 1kee h GLU 1060Cb 0.64 0.02 -0.25 0.00 0.63 0.00 0.00 28.75 29.80 1kee h GLU 1060CO 0.00 -0.07 -0.74 0.21 -0.73 0.00 0.00 179.01 177.68 1kee s LYS 1061N -6.17 0.42 0.09 1.92 2.20 -1.26 -5.14 119.74 111.80 1kee s LYS 1061Ca -0.14 -0.41 0.09 0.00 -0.36 0.00 0.00 55.97 55.15 1kee s LYS 1061Cb 0.07 -0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.06 1kee s LYS 1061CO 0.66 0.07 -0.20 0.14 -0.36 0.00 0.00 175.35 175.66 1kee s VAL 1062N -0.66 2.70 -0.02 4.02 -7.23 -1.26 -5.02 120.40 112.92 1kee s VAL 1062Ca -0.04 -1.45 -0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1kee s VAL 1062Cb -0.05 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.70 1kee s VAL 1062CO -0.00 0.18 0.11 -0.51 -0.31 0.00 0.00 175.10 174.57 1kee s ILE 1063N -1.05 0.04 0.40 -0.62 2.07 -1.26 -5.12 121.20 115.66 1kee s ILE 1063Ca 0.16 -0.31 -0.02 0.00 -1.41 0.00 0.00 60.65 59.07 1kee s ILE 1063Cb -0.10 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 42.18 1kee s ILE 1063CO 0.08 -0.17 0.65 -0.94 -1.91 0.00 0.00 174.94 172.65 1kee s SER 1064N -0.54 6.29 0.23 4.50 1.04 -1.26 -4.58 113.70 119.38 1kee s SER 1064Ca -0.06 0.68 -0.07 0.00 0.48 0.00 0.00 55.95 56.97 1kee s SER 1064Cb -0.04 -2.13 0.22 0.00 0.10 0.00 0.00 66.02 64.16 1kee s SER 1064CO 0.00 -0.41 1.89 0.58 0.98 0.00 0.00 173.24 176.28 1kee h VAL 1065N 0.55 1.24 -0.49 5.02 2.07 -1.24 0.38 116.25 123.78 1kee h VAL 1065Ca -0.48 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1kee h VAL 1065Cb 1.21 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1kee h VAL 1065CO 0.62 0.25 0.27 1.56 0.02 0.00 0.00 177.57 180.29 1kee h GLN 1066N 1.24 0.52 -0.51 1.57 7.50 -1.90 0.60 115.11 124.13 1kee h GLN 1066Ca 0.33 -0.03 -0.12 0.00 0.50 0.00 0.00 58.65 59.32 1kee h GLN 1066Cb -0.09 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.31 1kee h GLN 1066CO -0.07 0.35 -0.17 0.93 -1.50 0.00 0.00 178.83 178.37 1kee h GLU 1067N 0.54 1.02 0.31 1.46 5.08 -1.66 -2.20 114.58 119.12 1kee h GLU 1067Ca 0.21 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1kee h GLU 1067Cb 0.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1kee h GLU 1067CO -0.12 1.09 -0.34 0.52 -1.00 0.00 0.00 179.01 179.17 1kee h MET 1068N 0.89 -0.66 0.00 2.33 2.86 0.41 -2.02 114.93 118.74 1kee h MET 1068Ca 0.12 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1kee h MET 1068Cb 0.74 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 1kee h MET 1068CO 0.06 -0.44 -0.00 0.45 1.06 0.00 0.00 176.91 178.04 1kee h HIS 1069N -0.68 0.00 0.00 -0.22 3.86 -0.82 -0.81 115.15 116.48 1kee h HIS 1069Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1kee h HIS 1069Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1kee h HIS 1069CO -0.21 0.00 -0.17 0.00 0.86 0.00 0.00 177.93 178.41 1kee h ALA 1070N 2.00 0.91 0.00 2.45 0.00 -0.72 -2.94 119.26 120.96 1kee h ALA 1070Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kee h ALA 1070Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1kee h ALA 1070CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1kee n GLN 1071N -2.93 0.02 -2.65 0.00 6.02 -0.31 -4.79 117.38 112.73 1kee n GLN 1071Ca 0.04 0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 1kee n GLN 1071Cb 0.52 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 30.23 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 -3.01 4.71 -2.69 5.09 1.01 -1.11 -4.84 121.20 120.35 1kee s ILE 1072Ca 0.12 1.98 0.26 0.00 0.00 0.00 0.00 60.65 63.01 1kee s ILE 1072Cb 0.16 -4.27 0.41 0.00 0.01 0.00 0.00 42.46 38.77 1kee s ILE 1072CO 0.46 -0.00 1.56 0.29 0.00 0.00 0.00 174.94 177.25