#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrz s LEU 2 N 0.00 4.50 -0.14 0.00 2.96 -0.45 -4.92 118.68 120.63 3hrz s LEU 2 Ca 0.00 -1.40 -0.05 0.00 -0.22 0.00 0.00 54.13 52.46 3hrz s LEU 2 Cb 0.00 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3hrz s LEU 2 CO 0.00 -0.38 0.04 -0.31 -1.32 0.00 0.00 176.35 174.38 3hrz s TYR 3 N 1.32 3.24 0.01 5.38 2.02 -1.26 -0.34 117.35 127.71 3hrz s TYR 3 Ca -0.00 0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.85 3hrz s TYR 3 Cb -0.21 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 3hrz s TYR 3 CO 0.00 0.31 -0.08 0.95 -1.57 0.00 0.00 175.55 175.17 3hrz s THR 4 N -0.23 0.58 -0.13 -0.71 -4.23 -0.48 -0.32 115.64 110.12 3hrz s THR 4 Ca 0.07 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 60.02 3hrz s THR 4 Cb -0.12 -0.54 0.02 0.00 1.34 0.00 0.00 72.50 73.20 3hrz s THR 4 CO 0.02 -0.02 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.71 3hrz s LEU 5 N -0.65 1.73 -0.13 4.79 2.96 0.47 -1.54 118.68 126.31 3hrz s LEU 5 Ca -0.01 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 3hrz s LEU 5 Cb -0.05 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.49 3hrz s LEU 5 CO 0.00 -0.02 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.16 3hrz s ILE 6 N 1.25 2.00 0.25 6.68 1.01 0.16 -1.15 121.20 131.39 3hrz s ILE 6 Ca -0.00 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.76 3hrz s ILE 6 Cb -0.14 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 3hrz s ILE 6 CO -0.07 0.54 -0.07 0.42 0.00 0.00 0.00 174.94 175.77 3hrz s THR 7 N 0.74 1.53 0.44 2.92 -4.23 -0.79 -1.20 115.64 115.04 3hrz s THR 7 Ca -0.09 -2.12 -0.24 0.00 -1.18 0.00 0.00 61.69 58.05 3hrz s THR 7 Cb -0.16 -2.32 -0.10 0.00 1.34 0.00 0.00 72.50 71.26 3hrz s THR 7 CO 0.00 -0.39 1.05 -2.65 -0.54 0.00 0.00 174.62 172.09 3hrz n PRO 8 N -0.49 1.40 0.17 3.99 -0.02 -1.26 0.02 135.00 138.81 3hrz n PRO 8 Ca -0.06 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 3hrz n PRO 8 Cb 0.63 -2.11 0.53 0.00 -0.02 0.00 0.00 33.50 32.53 3hrz n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hrz h ALA 9 N 1.54 1.00 -3.44 3.55 0.00 -0.66 -3.39 119.26 117.86 3hrz h ALA 9 Ca -0.45 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.04 3hrz h ALA 9 Cb 1.33 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.78 3hrz h ALA 9 CO 0.57 0.00 -0.78 0.08 0.00 0.00 0.00 179.25 179.12 3hrz s VAL 10 N -3.39 0.57 -0.15 0.00 1.01 -1.26 -3.73 120.40 113.44 3hrz s VAL 10 Ca 0.04 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 3hrz s VAL 10 Cb 0.09 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 3hrz s VAL 10 CO 0.44 0.24 0.10 -0.76 0.00 0.00 0.00 175.10 175.13 3hrz s LEU 11 N 0.97 4.13 0.16 3.92 1.43 -0.58 -4.94 118.68 123.77 3hrz s LEU 11 Ca -0.10 0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 3hrz s LEU 11 Cb -0.14 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 43.99 3hrz s LEU 11 CO -0.00 0.29 0.51 -0.13 0.23 0.00 0.00 176.35 177.26 3hrz s ARG 12 N -0.33 3.87 0.68 1.70 0.52 -1.26 0.53 118.95 124.66 3hrz s ARG 12 Ca 0.10 0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.52 3hrz s ARG 12 Cb -0.12 -2.85 0.01 0.00 0.52 0.00 0.00 34.95 32.51 3hrz s ARG 12 CO 0.01 0.44 1.08 0.95 0.02 0.00 0.00 175.30 177.81 3hrz s THR 13 N -1.57 3.54 -1.46 0.02 -4.23 -0.54 -4.26 115.64 107.14 3hrz s THR 13 Ca 0.40 0.62 -0.10 0.00 -1.18 0.00 0.00 61.69 61.43 3hrz s THR 13 Cb -0.13 -3.17 0.06 0.00 1.34 0.00 0.00 72.50 70.59 3hrz s THR 13 CO 0.20 -0.54 0.80 0.47 -0.54 0.00 0.00 174.62 175.01 3hrz n ASP 14 N -2.74 -4.99 -3.62 3.99 8.00 0.52 -4.37 116.55 113.34 3hrz n ASP 14 Ca 0.09 -0.56 -0.16 0.00 0.71 0.00 0.00 54.79 54.88 3hrz n ASP 14 Cb 0.53 -4.02 -0.07 0.00 -0.02 0.00 0.00 41.12 37.54 3hrz n ASP 14 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3hrz s THR 15 N -3.18 0.02 -0.13 -3.53 -1.32 -1.26 -5.00 115.64 101.23 3hrz s THR 15 Ca 0.52 -0.18 -0.31 0.00 -1.21 0.00 0.00 61.69 60.52 3hrz s THR 15 Cb -0.26 -0.84 -0.08 0.00 -1.51 0.00 0.00 72.50 69.81 3hrz s THR 15 CO 0.64 -0.10 2.08 -0.62 -2.21 0.00 0.00 174.62 174.42 3hrz n GLU 16 N 1.20 2.17 -4.03 7.08 -0.58 -1.26 -4.52 120.64 120.70 3hrz n GLU 16 Ca -0.20 0.71 -0.32 0.00 -0.42 0.00 0.00 57.16 56.94 3hrz n GLU 16 Cb 0.57 -2.97 -0.15 0.00 -0.57 0.00 0.00 31.44 28.32 3hrz n GLU 16 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3hrz s GLU 17 N 5.35 1.86 0.24 3.49 0.41 -0.01 -4.97 118.70 125.06 3hrz s GLU 17 Ca 0.97 -1.63 -0.30 0.00 -0.41 0.00 0.00 54.97 53.60 3hrz s GLU 17 Cb -0.50 -3.09 -0.10 0.00 -1.78 0.00 0.00 34.13 28.66 3hrz s GLU 17 CO 0.42 -0.78 1.50 -0.65 -0.49 0.00 0.00 175.26 175.26 3hrz s GLN 18 N 1.01 4.23 0.41 1.61 -0.21 -1.26 -0.57 119.66 124.87 3hrz s GLN 18 Ca 0.02 2.37 0.05 0.00 0.02 0.00 0.00 55.36 57.82 3hrz s GLN 18 Cb -0.20 -3.10 -0.06 0.00 1.00 0.00 0.00 33.01 30.65 3hrz s GLN 18 CO -0.06 -0.50 0.02 0.96 -2.12 0.00 0.00 175.29 173.59 3hrz s ILE 19 N 0.23 1.62 -0.10 1.08 -4.36 -0.49 -4.55 121.20 114.62 3hrz s ILE 19 Ca 0.62 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 59.00 3hrz s ILE 19 Cb -0.43 -2.78 0.03 0.00 1.25 0.00 0.00 42.46 40.53 3hrz s ILE 19 CO 0.42 0.00 -0.01 -0.22 0.24 0.00 0.00 174.94 175.37 3hrz s LEU 20 N -3.69 0.81 -0.08 0.37 2.96 -0.34 -3.56 118.68 115.15 3hrz s LEU 20 Ca 0.30 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 54.01 3hrz s LEU 20 Cb 0.08 -0.54 -0.01 0.00 0.50 0.00 0.00 46.19 46.22 3hrz s LEU 20 CO 0.15 -0.20 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.04 3hrz s VAL 21 N 1.90 2.06 0.02 1.68 1.01 -0.23 -0.67 120.40 126.17 3hrz s VAL 21 Ca 0.04 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3hrz s VAL 21 Cb -0.13 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3hrz s VAL 21 CO -0.06 0.57 -0.06 -1.61 0.00 0.00 0.00 175.10 173.93 3hrz s GLU 22 N 0.06 0.47 -0.19 2.72 2.02 -0.59 -0.85 118.70 122.34 3hrz s GLU 22 Ca -0.10 -0.46 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 3hrz s GLU 22 Cb -0.16 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.72 3hrz s GLU 22 CO 0.06 0.08 -0.13 0.00 0.02 0.00 0.00 175.26 175.29 3hrz s ALA 23 N -0.72 2.55 -0.11 5.21 0.00 -0.49 -1.38 121.76 126.83 3hrz s ALA 23 Ca -0.04 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 3hrz s ALA 23 Cb -0.06 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 3hrz s ALA 23 CO 0.00 -0.30 0.03 -1.01 0.00 0.00 0.00 175.76 174.48 3hrz s HIS 24 N 1.24 3.22 -0.61 0.00 0.09 0.53 -4.48 115.29 115.28 3hrz s HIS 24 Ca 0.03 0.20 0.00 0.00 -0.00 0.00 0.00 55.06 55.28 3hrz s HIS 24 Cb -0.14 -1.85 0.00 0.00 -0.00 0.00 0.00 32.58 30.59 3hrz s HIS 24 CO -0.06 0.44 0.00 0.41 -0.00 0.00 0.00 174.74 175.53 3hrz n GLY 25 N 2.36 0.29 3.03 -2.22 0.00 -1.26 -1.35 105.19 106.04 3hrz n GLY 25 Ca -0.19 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 3hrz n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hrz s ASP 26 N -2.75 0.26 -0.17 1.61 2.15 -1.26 -3.45 116.67 113.05 3hrz s ASP 26 Ca 0.00 0.54 0.17 0.00 0.43 0.00 0.00 52.55 53.69 3hrz s ASP 26 Cb 0.00 0.95 0.49 0.00 -0.30 0.00 0.00 42.92 44.06 3hrz s ASP 26 CO 0.00 -0.26 1.38 -1.54 -0.17 0.00 0.00 175.17 174.58 3hrz n SER 27 N 5.36 3.62 -4.65 -0.34 3.41 -1.26 -4.90 113.62 114.86 3hrz n SER 27 Ca -0.06 -3.03 -0.39 0.00 -0.26 0.00 0.00 58.87 55.12 3hrz n SER 27 Cb 0.50 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 3hrz n SER 27 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hrz s THR 28 N -2.84 5.10 0.31 6.66 2.01 -1.26 -4.66 115.64 120.95 3hrz s THR 28 Ca 0.41 0.95 -0.29 0.00 0.31 0.00 0.00 61.69 63.06 3hrz s THR 28 Cb 0.33 -3.84 -0.12 0.00 0.01 0.00 0.00 72.50 68.88 3hrz s THR 28 CO 0.08 0.16 1.49 -2.65 -0.69 0.00 0.00 174.62 173.00 3hrz n PRO 29 N 4.94 2.49 -3.87 4.92 -0.02 -1.26 -4.89 135.00 137.30 3hrz n PRO 29 Ca -0.04 0.88 -0.12 0.00 -2.02 0.00 0.00 63.50 62.20 3hrz n PRO 29 Cb 0.50 -2.60 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 3hrz n PRO 29 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3hrz s LYS 30 N -1.08 0.16 -0.29 -0.52 1.02 -0.03 -5.00 119.74 113.99 3hrz s LYS 30 Ca 0.61 -0.05 -0.19 0.00 0.02 0.00 0.00 55.97 56.35 3hrz s LYS 30 Cb -0.53 0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 36.83 3hrz s LYS 30 CO 0.54 -0.03 0.59 -0.65 -0.92 0.00 0.00 175.35 174.89 3hrz s GLN 31 N -0.33 3.93 -0.13 1.68 -0.21 -1.26 -0.78 119.66 122.56 3hrz s GLN 31 Ca -0.04 0.28 -0.04 0.00 0.02 0.00 0.00 55.36 55.58 3hrz s GLN 31 Cb -0.03 -3.71 -0.03 0.00 1.00 0.00 0.00 33.01 30.24 3hrz s GLN 31 CO 0.00 -0.51 0.02 -0.51 -2.12 0.00 0.00 175.29 172.17 3hrz s LEU 32 N 2.51 3.62 -0.08 2.90 1.43 0.35 -4.50 118.68 124.90 3hrz s LEU 32 Ca 0.24 0.08 -0.20 0.00 -1.03 0.00 0.00 54.13 53.22 3hrz s LEU 32 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3hrz s LEU 32 CO 0.11 0.27 0.55 -1.81 0.23 0.00 0.00 176.35 175.70 3hrz s ASP 33 N -0.23 6.81 -0.20 2.29 1.01 0.88 -0.92 116.67 126.31 3hrz s ASP 33 Ca 0.06 0.97 -0.03 0.00 0.71 0.00 0.00 52.55 54.26 3hrz s ASP 33 Cb -0.12 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 3hrz s ASP 33 CO 0.02 -0.00 -0.06 -0.63 0.21 0.00 0.00 175.17 174.71 3hrz s ILE 34 N 0.48 3.30 0.18 0.77 -1.09 -0.60 -1.27 121.20 122.97 3hrz s ILE 34 Ca 0.30 -0.53 0.11 0.00 -2.23 0.00 0.00 60.65 58.30 3hrz s ILE 34 Cb -0.16 -2.48 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 3hrz s ILE 34 CO 0.13 0.45 -0.21 -0.36 -1.23 0.00 0.00 174.94 173.72 3hrz s PHE 35 N 1.25 2.39 -0.07 3.97 0.08 0.67 -1.22 117.98 125.04 3hrz s PHE 35 Ca 0.03 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.76 3hrz s PHE 35 Cb -0.14 -1.19 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 3hrz s PHE 35 CO -0.02 0.48 -0.08 0.08 -0.10 0.00 0.00 175.22 175.58 3hrz s VAL 36 N -1.58 0.89 0.17 -0.44 1.01 -0.27 -1.11 120.40 119.06 3hrz s VAL 36 Ca 0.21 -0.29 0.11 0.00 0.00 0.00 0.00 61.98 62.01 3hrz s VAL 36 Cb -0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3hrz s VAL 36 CO 0.11 0.32 -0.23 -1.00 0.00 0.00 0.00 175.10 174.29 3hrz s HIS 37 N 1.14 2.18 0.49 5.22 3.76 -0.83 -0.22 115.29 127.02 3hrz s HIS 37 Ca -0.06 -0.39 -0.23 0.00 -0.15 0.00 0.00 55.06 54.23 3hrz s HIS 37 Cb -0.14 -1.11 -0.07 0.00 1.11 0.00 0.00 32.58 32.38 3hrz s HIS 37 CO -0.01 0.42 1.35 0.16 -0.85 0.00 0.00 174.74 175.80 3hrz s ASP 38 N -2.49 5.67 -0.02 1.40 -4.77 -1.24 -0.49 116.67 114.74 3hrz s ASP 38 Ca 0.17 2.74 0.04 0.00 -3.30 0.00 0.00 52.55 52.20 3hrz s ASP 38 Cb -0.08 -2.64 -0.03 0.00 -1.09 0.00 0.00 42.92 39.08 3hrz s ASP 38 CO 0.08 -1.29 -0.12 0.12 0.70 0.00 0.00 175.17 174.66 3hrz s PHE 39 N -1.30 2.76 -0.71 2.11 5.36 -0.63 -1.11 117.98 124.46 3hrz s PHE 39 Ca 0.66 -0.12 0.23 0.00 -0.96 0.00 0.00 56.93 56.74 3hrz s PHE 39 Cb -0.40 -1.60 0.03 0.00 -0.34 0.00 0.00 43.02 40.71 3hrz s PHE 39 CO 0.49 0.28 1.02 -0.35 -1.46 0.00 0.00 175.22 175.20 3hrz n PRO 40 N 1.89 0.21 0.09 10.12 -0.04 -1.26 -4.35 135.00 141.65 3hrz n PRO 40 Ca -0.16 -0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.41 3hrz n PRO 40 Cb 0.52 -1.56 0.35 0.00 -0.04 0.00 0.00 33.50 32.78 3hrz n PRO 40 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3hrz n ARG 41 N -1.82 0.25 -4.01 0.54 1.85 -1.26 -4.93 116.66 107.29 3hrz n ARG 41 Ca 0.03 0.17 -0.31 0.00 -1.00 0.00 0.00 57.85 56.73 3hrz n ARG 41 Cb 0.41 -1.76 0.00 0.00 -1.05 0.00 0.00 32.46 30.07 3hrz n ARG 41 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3hrz n LYS 42 N -2.17 -4.47 -0.06 2.89 5.02 -0.27 -4.85 118.16 114.25 3hrz n LYS 42 Ca 0.05 0.50 0.07 0.00 -2.02 0.00 0.00 58.31 56.91 3hrz n LYS 42 Cb 0.43 -5.24 0.44 0.00 -0.02 0.00 0.00 35.03 30.63 3hrz n LYS 42 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3hrz h GLN 43 N -1.85 0.53 -4.05 1.97 1.08 -1.92 -3.45 115.11 107.41 3hrz h GLN 43 Ca -0.59 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 56.47 3hrz h GLN 43 Cb 1.38 -0.12 -0.15 0.00 -0.05 0.00 0.00 27.48 28.54 3hrz h GLN 43 CO 0.70 0.35 -0.57 -1.59 -0.95 0.00 0.00 178.83 176.77 3hrz s LYS 44 N -5.49 0.67 -0.60 1.46 -2.85 -1.26 -5.07 119.74 106.60 3hrz s LYS 44 Ca -0.08 -1.08 -0.20 0.00 -1.00 0.00 0.00 55.97 53.61 3hrz s LYS 44 Cb 0.18 0.25 0.09 0.00 -2.06 0.00 0.00 37.83 36.29 3hrz s LYS 44 CO 0.74 -0.16 0.78 0.99 0.10 0.00 0.00 175.35 177.80 3hrz s THR 45 N -3.71 4.67 0.35 3.79 2.01 -1.26 -3.60 115.64 117.89 3hrz s THR 45 Ca 0.05 -0.72 0.08 0.00 0.31 0.00 0.00 61.69 61.40 3hrz s THR 45 Cb 0.06 -4.53 0.12 0.00 0.01 0.00 0.00 72.50 68.16 3hrz s THR 45 CO -0.10 -1.19 1.85 -0.07 -0.69 0.00 0.00 174.62 174.42 3hrz h LEU 46 N 10.38 0.26 -7.00 4.42 4.07 -0.96 -3.46 115.31 123.03 3hrz h LEU 46 Ca -0.29 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.57 3hrz h LEU 46 Cb 1.08 -0.07 -0.20 0.00 1.08 0.00 0.00 40.66 42.55 3hrz h LEU 46 CO 1.11 0.48 0.25 0.12 -1.08 0.00 0.00 178.44 179.33 3hrz s PHE 47 N -4.58 -0.62 -0.24 1.13 5.36 -1.14 -4.55 117.98 113.34 3hrz s PHE 47 Ca -0.05 1.16 -0.16 0.00 -0.96 0.00 0.00 56.93 56.92 3hrz s PHE 47 Cb 0.15 0.40 0.07 0.00 -0.34 0.00 0.00 43.02 43.29 3hrz s PHE 47 CO 0.75 -0.52 0.60 -1.14 -1.46 0.00 0.00 175.22 173.45 3hrz s GLN 48 N -0.90 0.63 0.12 10.12 0.74 -1.26 -1.12 119.66 128.00 3hrz s GLN 48 Ca -0.07 1.03 0.01 0.00 0.05 0.00 0.00 55.36 56.37 3hrz s GLN 48 Cb -0.01 0.15 -0.00 0.00 1.10 0.00 0.00 33.01 34.25 3hrz s GLN 48 CO 0.07 -0.14 0.13 -2.37 -0.55 0.00 0.00 175.29 172.43 3hrz n THR 49 N 3.91 0.00 -3.79 -0.34 5.66 -0.36 -5.01 114.28 114.34 3hrz n THR 49 Ca -0.19 -0.73 -0.13 0.00 -3.05 0.00 0.00 64.05 59.95 3hrz n THR 49 Cb 0.57 0.40 -0.13 0.00 -1.55 0.00 0.00 70.33 69.62 3hrz n THR 49 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3hrz s ARG 50 N -2.37 0.18 0.10 1.09 3.52 -1.26 -1.55 118.95 118.65 3hrz s ARG 50 Ca 0.12 0.29 0.06 0.00 -0.13 0.00 0.00 55.73 56.07 3hrz s ARG 50 Cb 0.00 0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.39 3hrz s ARG 50 CO 0.08 -0.06 -0.15 0.08 -0.81 0.00 0.00 175.30 174.44 3hrz s VAL 51 N 0.39 1.32 -0.29 7.11 1.01 -0.10 -4.96 120.40 124.87 3hrz s VAL 51 Ca -0.02 -1.52 -0.13 0.00 0.00 0.00 0.00 61.98 60.31 3hrz s VAL 51 Cb -0.04 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3hrz s VAL 51 CO -0.02 -0.27 0.26 -1.81 0.00 0.00 0.00 175.10 173.26 3hrz s ASP 52 N -2.06 6.10 -0.28 3.32 1.01 -1.26 -0.50 116.67 123.00 3hrz s ASP 52 Ca 0.04 -0.03 -0.06 0.00 0.71 0.00 0.00 52.55 53.21 3hrz s ASP 52 Cb -0.08 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.70 3hrz s ASP 52 CO 0.03 -0.14 0.06 -0.32 0.21 0.00 0.00 175.17 175.00 3hrz s MET 53 N 1.86 3.17 0.14 8.23 -2.45 0.04 -4.93 119.30 125.36 3hrz s MET 53 Ca 0.09 -0.80 -0.01 0.00 -1.25 0.00 0.00 55.69 53.73 3hrz s MET 53 Cb -0.16 -3.31 -0.04 0.00 1.25 0.00 0.00 34.83 32.57 3hrz s MET 53 CO 0.11 -0.39 0.07 0.54 1.05 0.00 0.00 175.02 176.40 3hrz s ASN 54 N 1.50 0.29 0.29 1.11 2.20 -1.26 -0.85 114.94 118.22 3hrz s ASN 54 Ca 0.03 -1.24 0.03 0.00 -0.94 0.00 0.00 52.86 50.74 3hrz s ASN 54 Cb -0.17 0.31 0.67 0.00 -2.00 0.00 0.00 41.25 40.07 3hrz s ASN 54 CO 0.02 -0.75 1.75 -0.65 -2.94 0.00 0.00 177.10 174.52 3hrz h PRO 55 N 2.82 0.59 -0.08 3.55 0.11 -1.92 0.93 132.00 138.00 3hrz h PRO 55 Ca -0.35 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.74 3hrz h PRO 55 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hrz h PRO 55 CO 0.58 0.39 0.12 0.00 -0.21 0.00 0.00 178.00 178.88 3hrz h ALA 56 N 1.64 1.52 -0.60 -0.75 0.00 -1.98 -0.52 119.26 118.56 3hrz h ALA 56 Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3hrz h ALA 56 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hrz h ALA 56 CO -0.42 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.09 3hrz n GLY 57 N -1.30 2.79 2.27 0.00 0.00 0.25 -4.92 105.19 104.28 3hrz n GLY 57 Ca -0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 3hrz n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrz n GLY 58 N 1.06 1.04 3.97 -0.02 0.00 -0.20 -2.54 105.19 108.50 3hrz n GLY 58 Ca 0.23 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 3hrz n GLY 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hrz n MET 59 N -2.67 -4.36 -4.19 1.61 0.00 -0.77 -4.81 117.12 101.93 3hrz n MET 59 Ca -0.10 0.50 -0.19 0.00 0.00 0.00 0.00 57.70 57.92 3hrz n MET 59 Cb 0.33 -5.14 -0.16 0.00 0.00 0.00 0.00 33.22 28.25 3hrz n MET 59 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3hrz s LEU 60 N -7.12 1.58 0.02 4.03 0.20 -1.05 -1.39 118.68 114.95 3hrz s LEU 60 Ca 0.45 -0.12 0.04 0.00 0.69 0.00 0.00 54.13 55.19 3hrz s LEU 60 Cb -0.23 -0.40 -0.02 0.00 -0.43 0.00 0.00 46.19 45.11 3hrz s LEU 60 CO 0.87 -0.00 -0.12 0.68 -0.29 0.00 0.00 176.35 177.48 3hrz s VAL 61 N 0.51 0.94 -0.59 1.68 -7.23 -0.03 -4.85 120.40 110.84 3hrz s VAL 61 Ca -0.07 -0.82 0.06 0.00 -1.81 0.00 0.00 61.98 59.35 3hrz s VAL 61 Cb -0.10 -0.85 0.25 0.00 0.56 0.00 0.00 36.38 36.24 3hrz s VAL 61 CO 0.00 0.04 0.69 0.35 -0.31 0.00 0.00 175.10 175.87 3hrz n THR 62 N 2.16 1.69 -2.02 5.32 -2.24 -1.26 -1.07 114.28 116.86 3hrz n THR 62 Ca -0.17 -4.95 -0.36 0.00 -2.27 0.00 0.00 64.05 56.30 3hrz n THR 62 Cb 0.55 -2.07 0.03 0.00 -2.10 0.00 0.00 70.33 66.74 3hrz n THR 62 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3hrz s PRO 63 N -2.17 3.04 -0.21 -0.78 0.05 -1.23 -4.71 135.00 128.99 3hrz s PRO 63 Ca 0.39 1.85 -0.12 0.00 0.05 0.00 0.00 61.00 63.16 3hrz s PRO 63 Cb 0.15 -1.98 -0.05 0.00 0.05 0.00 0.00 34.50 32.67 3hrz s PRO 63 CO -0.04 -1.16 0.24 0.99 0.05 0.00 0.00 177.00 177.08 3hrz s THR 64 N -1.57 5.32 0.29 1.26 2.01 -1.26 -1.39 115.64 120.30 3hrz s THR 64 Ca 0.76 0.39 0.08 0.00 0.31 0.00 0.00 61.69 63.23 3hrz s THR 64 Cb -0.31 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 3hrz s THR 64 CO 0.34 0.35 0.18 0.27 -0.69 0.00 0.00 174.62 175.07 3hrz s ILE 65 N 0.88 3.84 -0.14 1.82 -4.36 0.26 -4.89 121.20 118.62 3hrz s ILE 65 Ca 0.12 -1.52 -0.07 0.00 -0.26 0.00 0.00 60.65 58.92 3hrz s ILE 65 Cb -0.13 -3.19 0.06 0.00 1.25 0.00 0.00 42.46 40.44 3hrz s ILE 65 CO 0.04 -0.28 0.33 -0.70 0.24 0.00 0.00 174.94 174.57 3hrz s GLU 66 N -3.86 0.28 -0.37 0.37 2.12 -1.26 -0.83 118.70 115.16 3hrz s GLU 66 Ca 0.35 0.70 -0.08 0.00 0.36 0.00 0.00 54.97 56.31 3hrz s GLU 66 Cb -0.06 -0.04 0.05 0.00 0.26 0.00 0.00 34.13 34.34 3hrz s GLU 66 CO 0.24 -0.18 0.16 0.42 -0.54 0.00 0.00 175.26 175.36 3hrz s ILE 67 N 1.56 4.07 -0.10 -3.70 1.01 -1.26 -4.67 121.20 118.11 3hrz s ILE 67 Ca -0.08 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.14 3hrz s ILE 67 Cb -0.10 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 3hrz s ILE 67 CO -0.11 -0.27 1.38 -2.84 0.00 0.00 0.00 174.94 173.10 3hrz s PRO 68 N 1.44 4.24 0.52 2.79 0.02 -1.26 -0.35 135.00 142.39 3hrz s PRO 68 Ca 0.00 1.85 0.28 0.00 0.02 0.00 0.00 61.00 63.15 3hrz s PRO 68 Cb -0.20 -3.77 1.40 0.00 0.02 0.00 0.00 34.50 31.95 3hrz s PRO 68 CO 0.04 -0.70 1.90 0.00 -0.33 0.00 0.00 177.00 177.91 3hrz h ALA 69 N 8.41 2.69 0.00 -1.55 0.00 -1.97 -1.01 119.26 125.83 3hrz h ALA 69 Ca -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hrz h ALA 69 Cb 1.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hrz h ALA 69 CO 0.95 -0.93 0.00 0.87 0.00 0.00 0.00 179.25 180.14 3hrz h LYS 70 N 0.07 0.00 0.00 0.00 1.57 -2.01 -3.06 116.57 113.14 3hrz h LYS 70 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3hrz h LYS 70 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.82 3hrz h LYS 70 CO -0.03 0.00 -0.48 0.39 -0.57 0.00 0.00 179.45 178.76 3hrz n GLU 71 N -3.03 0.13 -1.08 3.15 -0.58 -0.38 -4.27 120.64 114.57 3hrz n GLU 71 Ca 0.02 0.04 0.05 0.00 -0.42 0.00 0.00 57.16 56.85 3hrz n GLU 71 Cb 0.40 -1.58 0.08 0.00 -0.57 0.00 0.00 31.44 29.77 3hrz n GLU 71 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 3hrz n VAL 72 N -1.77 0.74 -1.91 2.62 3.14 -1.16 -5.05 118.33 114.94 3hrz n VAL 72 Ca 0.05 -1.63 -0.29 0.00 -2.96 0.00 0.00 64.34 59.51 3hrz n VAL 72 Cb 0.38 0.53 0.11 0.00 -1.06 0.00 0.00 33.84 33.80 3hrz n VAL 72 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3hrz s SER 73 N -2.32 4.25 0.00 6.55 1.04 -1.19 -4.99 113.70 117.05 3hrz s SER 73 Ca 0.32 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.44 3hrz s SER 73 Cb 0.34 -1.10 0.00 0.00 0.10 0.00 0.00 66.02 65.37 3hrz s SER 73 CO -0.12 -2.06 0.00 0.35 0.98 0.00 0.00 173.24 172.40 3hrz n THR 74 N -3.40 -0.48 -2.60 2.02 -2.24 -1.26 -5.14 114.28 101.18 3hrz n THR 74 Ca 0.09 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.53 3hrz n THR 74 Cb 0.61 -0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 3hrz n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hrz s ASP 75 N -0.54 6.46 -0.06 3.42 -1.08 -1.26 -5.06 116.67 118.55 3hrz s ASP 75 Ca 0.00 1.88 -0.08 0.00 -0.52 0.00 0.00 52.55 53.83 3hrz s ASP 75 Cb 0.00 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 3hrz s ASP 75 CO 0.00 -0.70 0.26 0.59 0.52 0.00 0.00 175.17 175.84 3hrz n ASN 79 N -0.90 0.14 -4.64 -0.34 4.13 -1.26 -5.21 115.26 107.17 3hrz n ASN 79 Ca 0.09 0.22 -0.31 0.00 1.68 0.00 0.00 54.58 56.25 3hrz n ASN 79 Cb 0.53 -0.16 -0.09 0.00 -1.54 0.00 0.00 39.78 38.51 3hrz n ASN 79 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3hrz s GLN 80 N 0.35 2.54 0.19 3.52 -1.52 -1.26 -5.06 119.66 118.42 3hrz s GLN 80 Ca 0.18 -0.79 0.06 0.00 -1.95 0.00 0.00 55.36 52.87 3hrz s GLN 80 Cb -0.26 -2.52 -0.05 0.00 -0.22 0.00 0.00 33.01 29.96 3hrz s GLN 80 CO 0.13 0.57 -0.11 0.71 -0.25 0.00 0.00 175.29 176.34 3hrz s TYR 81 N -1.16 1.53 0.19 0.91 2.02 -1.26 -1.04 117.35 118.53 3hrz s TYR 81 Ca 0.21 -0.68 0.04 0.00 -0.37 0.00 0.00 57.07 56.28 3hrz s TYR 81 Cb -0.11 -0.76 -0.05 0.00 -0.40 0.00 0.00 41.96 40.64 3hrz s TYR 81 CO 0.13 0.21 -0.07 0.14 -1.57 0.00 0.00 175.55 174.39 3hrz s VAL 82 N -3.15 1.19 -0.21 0.71 -7.23 -0.45 -1.60 120.40 109.65 3hrz s VAL 82 Ca 0.21 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 3hrz s VAL 82 Cb 0.01 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.88 3hrz s VAL 82 CO 0.05 -0.56 -0.09 0.54 -0.31 0.00 0.00 175.10 174.73 3hrz s VAL 83 N -3.32 2.96 -0.20 1.32 0.11 0.36 -0.47 120.40 121.16 3hrz s VAL 83 Ca 0.22 -0.68 -0.19 0.00 -2.93 0.00 0.00 61.98 58.40 3hrz s VAL 83 Cb 0.03 -2.35 -0.03 0.00 -1.53 0.00 0.00 36.38 32.50 3hrz s VAL 83 CO 0.05 0.42 0.54 -0.69 -3.33 0.00 0.00 175.10 172.09 3hrz s VAL 84 N 1.41 5.09 -0.07 2.04 1.01 0.57 -1.96 120.40 128.48 3hrz s VAL 84 Ca 0.05 0.99 0.03 0.00 0.00 0.00 0.00 61.98 63.05 3hrz s VAL 84 Cb -0.14 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3hrz s VAL 84 CO -0.06 0.16 -0.17 -1.10 0.00 0.00 0.00 175.10 173.93 3hrz s GLN 85 N 1.72 2.20 -0.17 2.72 -0.21 -0.27 -1.10 119.66 124.56 3hrz s GLN 85 Ca 0.25 -0.62 -0.00 0.00 0.02 0.00 0.00 55.36 55.01 3hrz s GLN 85 Cb -0.15 -1.76 -0.00 0.00 1.00 0.00 0.00 33.01 32.10 3hrz s GLN 85 CO 0.10 0.12 -0.14 0.08 -2.12 0.00 0.00 175.29 173.33 3hrz s VAL 86 N 0.43 2.76 0.06 1.09 1.01 -0.43 -0.24 120.40 125.08 3hrz s VAL 86 Ca -0.14 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3hrz s VAL 86 Cb -0.16 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3hrz s VAL 86 CO 0.05 0.50 -0.11 0.42 0.00 0.00 0.00 175.10 175.97 3hrz s THR 87 N 0.96 0.85 -0.84 3.92 -4.23 -0.40 -0.81 115.64 115.09 3hrz s THR 87 Ca -0.02 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 3hrz s THR 87 Cb -0.15 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.79 3hrz s THR 87 CO -0.02 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 3hrz n GLY 88 N 1.28 -1.38 3.69 3.99 0.00 -0.07 -0.08 105.19 112.61 3hrz n GLY 88 Ca -0.21 -1.03 -0.50 0.00 0.00 0.00 0.00 46.02 44.27 3hrz n GLY 88 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hrz n PRO 89 N -0.14 2.01 -0.86 1.61 -0.02 -1.26 -0.35 135.00 135.98 3hrz n PRO 89 Ca 0.00 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3hrz n PRO 89 Cb 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 30.92 3hrz n PRO 89 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hrz n GLN 90 N 6.40 -0.96 -4.35 -0.52 6.02 -1.26 -4.97 117.38 117.74 3hrz n GLN 90 Ca 0.23 0.24 -0.33 0.00 -0.01 0.00 0.00 57.00 57.14 3hrz n GLN 90 Cb 0.27 -4.33 -0.16 0.00 1.02 0.00 0.00 30.24 27.04 3hrz n GLN 90 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hrz s VAL 91 N -1.42 2.04 -0.28 5.09 1.01 0.52 -5.05 120.40 122.31 3hrz s VAL 91 Ca 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 3hrz s VAL 91 Cb 0.00 -1.83 0.14 0.00 0.00 0.00 0.00 36.38 34.69 3hrz s VAL 91 CO 0.00 0.54 0.31 -0.60 0.00 0.00 0.00 175.10 175.35 3hrz s ARG 92 N 1.09 0.33 0.08 2.72 3.52 -1.25 -0.89 118.95 124.54 3hrz s ARG 92 Ca -0.00 -0.04 0.09 0.00 -0.13 0.00 0.00 55.73 55.65 3hrz s ARG 92 Cb -0.14 -0.63 -0.03 0.00 -1.56 0.00 0.00 34.95 32.59 3hrz s ARG 92 CO -0.08 -0.99 -0.23 -0.51 -0.81 0.00 0.00 175.30 172.68 3hrz s LEU 93 N 2.40 2.41 -0.11 -0.88 1.43 0.01 -4.91 118.68 119.02 3hrz s LEU 93 Ca 0.09 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 3hrz s LEU 93 Cb -0.14 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.74 3hrz s LEU 93 CO -0.30 0.23 0.30 -0.70 0.23 0.00 0.00 176.35 176.10 3hrz s GLU 94 N -1.64 0.34 -0.11 1.70 2.12 -1.26 -1.32 118.70 118.53 3hrz s GLU 94 Ca 0.14 0.44 -0.04 0.00 0.36 0.00 0.00 54.97 55.87 3hrz s GLU 94 Cb -0.10 0.13 0.06 0.00 0.26 0.00 0.00 34.13 34.48 3hrz s GLU 94 CO 0.05 -0.06 0.23 0.21 -0.54 0.00 0.00 175.26 175.15 3hrz s LYS 95 N 0.32 0.12 -0.07 4.30 2.47 -0.25 -4.90 119.74 121.72 3hrz s LYS 95 Ca -0.01 0.64 -0.27 0.00 -1.56 0.00 0.00 55.97 54.77 3hrz s LYS 95 Cb -0.03 -0.12 -0.03 0.00 -1.46 0.00 0.00 37.83 36.19 3hrz s LYS 95 CO -0.01 -0.26 0.86 0.08 0.16 0.00 0.00 175.35 176.18 3hrz s VAL 96 N 2.10 4.92 -0.02 4.02 1.01 -1.26 -0.32 120.40 130.85 3hrz s VAL 96 Ca -0.01 1.77 0.03 0.00 0.00 0.00 0.00 61.98 63.77 3hrz s VAL 96 Cb -0.12 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 3hrz s VAL 96 CO -0.08 0.14 -0.10 -0.69 0.00 0.00 0.00 175.10 174.37 3hrz s VAL 97 N 1.32 0.86 0.34 2.92 1.01 0.38 -4.96 120.40 122.27 3hrz s VAL 97 Ca 0.44 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 3hrz s VAL 97 Cb -0.19 -0.74 -0.11 0.00 0.00 0.00 0.00 36.38 35.35 3hrz s VAL 97 CO 0.20 0.25 1.43 -0.22 0.00 0.00 0.00 175.10 176.77 3hrz s LEU 98 N -0.02 4.37 -0.02 3.92 2.96 -1.24 -1.34 118.68 127.30 3hrz s LEU 98 Ca 0.00 2.87 -0.06 0.00 -0.22 0.00 0.00 54.13 56.73 3hrz s LEU 98 Cb -0.07 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 3hrz s LEU 98 CO 0.00 -0.74 0.22 -0.22 -1.32 0.00 0.00 176.35 174.29 3hrz s LEU 99 N -1.64 4.38 -0.01 -0.68 2.96 -0.21 -1.53 118.68 121.94 3hrz s LEU 99 Ca 0.53 0.49 0.08 0.00 -0.22 0.00 0.00 54.13 55.01 3hrz s LEU 99 Cb -0.44 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.70 3hrz s LEU 99 CO 0.56 0.29 -0.26 -0.55 -1.32 0.00 0.00 176.35 175.07 3hrz s SER 100 N -1.61 3.11 0.00 3.68 0.15 0.19 -4.66 113.70 114.55 3hrz s SER 100 Ca 0.25 -0.47 0.27 0.00 0.70 0.00 0.00 55.95 56.69 3hrz s SER 100 Cb -0.13 -0.36 0.83 0.00 -1.71 0.00 0.00 66.02 64.65 3hrz s SER 100 CO 0.14 0.31 1.61 -1.22 1.20 0.00 0.00 173.24 175.29 3hrz n TYR 101 N 2.35 0.00 -2.57 3.44 4.01 -1.26 -1.47 117.16 121.66 3hrz n TYR 101 Ca -0.16 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.16 3hrz n TYR 101 Cb 0.51 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 3hrz n TYR 101 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3hrz s GLN 102 N -2.12 3.76 0.54 -0.72 0.74 -1.26 -4.77 119.66 115.82 3hrz s GLN 102 Ca 0.33 -1.51 0.27 0.00 0.05 0.00 0.00 55.36 54.51 3hrz s GLN 102 Cb 0.20 -5.43 1.55 0.00 1.10 0.00 0.00 33.01 30.43 3hrz s GLN 102 CO 0.38 -2.22 2.13 0.77 -0.55 0.00 0.00 175.29 175.80 3hrz h SER 103 N 8.84 0.00 -0.95 6.67 0.02 -1.84 -3.44 113.55 122.85 3hrz h SER 103 Ca 0.31 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.26 3hrz h SER 103 Cb 0.95 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 3hrz h SER 103 CO 1.44 0.08 0.04 -1.54 -1.14 0.00 0.00 176.83 175.71 3hrz n SER 104 N -3.77 -0.17 -4.53 3.07 3.41 -1.26 -4.78 113.62 105.58 3hrz n SER 104 Ca -0.02 -1.11 -0.35 0.00 -0.26 0.00 0.00 58.87 57.13 3hrz n SER 104 Cb 0.18 0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 64.30 3hrz n SER 104 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hrz s PHE 105 N -7.01 3.14 0.01 7.33 0.08 -1.26 -4.98 117.98 115.30 3hrz s PHE 105 Ca 0.02 -0.19 -0.01 0.00 0.12 0.00 0.00 56.93 56.87 3hrz s PHE 105 Cb -0.00 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.27 3hrz s PHE 105 CO 0.01 -0.10 0.13 -0.51 -0.10 0.00 0.00 175.22 174.65 3hrz s LEU 106 N 0.93 4.10 -0.02 -0.37 1.43 -1.26 -1.29 118.68 122.20 3hrz s LEU 106 Ca 0.03 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3hrz s LEU 106 Cb -0.14 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.61 3hrz s LEU 106 CO 0.03 0.25 -0.02 -0.36 0.23 0.00 0.00 176.35 176.47 3hrz s PHE 107 N -1.29 0.37 -0.19 0.29 0.08 0.84 -4.72 117.98 113.35 3hrz s PHE 107 Ca 0.26 -0.05 -0.10 0.00 0.12 0.00 0.00 56.93 57.16 3hrz s PHE 107 Cb -0.12 -0.34 -0.05 0.00 -0.57 0.00 0.00 43.02 41.94 3hrz s PHE 107 CO 0.18 -0.07 0.14 0.42 -0.10 0.00 0.00 175.22 175.79 3hrz s ILE 108 N 0.45 5.41 -0.15 0.64 1.01 -1.26 -0.41 121.20 126.89 3hrz s ILE 108 Ca -0.05 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 3hrz s ILE 108 Cb -0.08 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 3hrz s ILE 108 CO -0.01 0.45 -0.07 -1.58 0.00 0.00 0.00 174.94 173.72 3hrz s GLN 109 N 0.29 3.53 0.23 2.79 0.74 0.38 -4.73 119.66 122.89 3hrz s GLN 109 Ca 0.09 -0.60 0.07 0.00 0.05 0.00 0.00 55.36 54.97 3hrz s GLN 109 Cb -0.11 -2.81 -0.04 0.00 1.10 0.00 0.00 33.01 31.15 3hrz s GLN 109 CO -0.01 0.19 0.15 0.95 -0.55 0.00 0.00 175.29 176.02 3hrz s THR 110 N 0.47 4.30 0.37 -0.34 -4.23 -1.26 -0.06 115.64 114.89 3hrz s THR 110 Ca -0.06 -1.40 0.09 0.00 -1.18 0.00 0.00 61.69 59.14 3hrz s THR 110 Cb -0.15 -3.29 0.15 0.00 1.34 0.00 0.00 72.50 70.55 3hrz s THR 110 CO 0.04 -0.29 1.89 -2.24 -0.54 0.00 0.00 174.62 173.48 3hrz h ASP 111 N 1.79 0.26 -5.43 3.99 2.03 -1.63 -3.46 116.42 113.97 3hrz h ASP 111 Ca -0.48 -0.06 -0.17 0.00 -0.73 0.00 0.00 57.03 55.60 3hrz h ASP 111 Cb 1.23 -0.07 -0.14 0.00 -0.83 0.00 0.00 39.33 39.53 3hrz h ASP 111 CO 0.61 0.43 -0.49 -0.54 -1.03 0.00 0.00 179.24 178.22 3hrz s LYS 112 N -4.70 1.18 0.00 4.15 1.02 -1.26 -4.93 119.74 115.19 3hrz s LYS 112 Ca -0.06 -1.43 0.25 0.00 0.02 0.00 0.00 55.97 54.76 3hrz s LYS 112 Cb 0.15 0.32 0.58 0.00 -0.52 0.00 0.00 37.83 38.36 3hrz s LYS 112 CO 0.74 -0.40 1.45 0.41 -0.92 0.00 0.00 175.35 176.63 3hrz n GLY 113 N -0.23 -0.47 3.11 -3.33 0.00 -1.26 -4.93 105.19 98.08 3hrz n GLY 113 Ca -0.02 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 3hrz n GLY 113 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hrz s ILE 114 N -2.50 -0.02 0.10 -0.61 2.07 -1.26 -1.03 121.20 117.94 3hrz s ILE 114 Ca 0.23 0.09 0.06 0.00 -1.41 0.00 0.00 60.65 59.61 3hrz s ILE 114 Cb 0.19 -0.40 -0.03 0.00 0.13 0.00 0.00 42.46 42.35 3hrz s ILE 114 CO 0.53 0.04 -0.14 -0.31 -1.91 0.00 0.00 174.94 173.15 3hrz s TYR 115 N 0.85 1.32 0.29 3.50 2.02 0.16 -4.94 117.35 120.55 3hrz s TYR 115 Ca -0.06 -0.51 -0.04 0.00 -0.37 0.00 0.00 57.07 56.09 3hrz s TYR 115 Cb -0.07 -0.72 -0.05 0.00 -0.40 0.00 0.00 41.96 40.72 3hrz s TYR 115 CO -0.06 0.10 0.54 0.95 -1.57 0.00 0.00 175.55 175.52 3hrz s THR 116 N -1.74 5.04 0.57 -0.71 -4.23 -1.25 -0.74 115.64 112.58 3hrz s THR 116 Ca 0.04 -0.02 -0.18 0.00 -1.18 0.00 0.00 61.69 60.35 3hrz s THR 116 Cb -0.07 -3.75 -0.09 0.00 1.34 0.00 0.00 72.50 69.93 3hrz s THR 116 CO 0.03 -0.34 0.49 -2.65 -0.54 0.00 0.00 174.62 171.61 3hrz n PRO 117 N -1.01 0.48 -1.49 3.99 -0.02 -1.26 -3.18 135.00 132.51 3hrz n PRO 117 Ca -0.02 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.55 3hrz n PRO 117 Cb 0.54 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 3hrz n PRO 117 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hrz n GLY 118 N 1.82 0.86 3.30 -1.23 0.00 -0.16 -4.85 105.19 104.92 3hrz n GLY 118 Ca 0.11 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 3hrz n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hrz s SER 119 N -2.82 2.41 0.17 1.61 1.04 -1.17 -4.83 113.70 110.10 3hrz s SER 119 Ca 0.00 -0.86 -0.30 0.00 0.48 0.00 0.00 55.95 55.27 3hrz s SER 119 Cb 0.00 -0.12 -0.07 0.00 0.10 0.00 0.00 66.02 65.93 3hrz s SER 119 CO 0.00 -0.09 1.02 -2.16 0.98 0.00 0.00 173.24 172.99 3hrz s PRO 120 N -2.82 4.68 -0.36 4.02 0.04 -1.26 -1.05 135.00 138.25 3hrz s PRO 120 Ca 0.14 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 3hrz s PRO 120 Cb -0.05 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 3hrz s PRO 120 CO 0.05 0.21 0.26 0.08 0.04 0.00 0.00 177.00 177.64 3hrz s VAL 121 N -0.37 5.28 -0.05 -0.36 1.01 0.87 -4.94 120.40 121.82 3hrz s VAL 121 Ca 0.47 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 3hrz s VAL 121 Cb -0.27 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3hrz s VAL 121 CO 0.33 -0.10 0.38 -0.76 0.00 0.00 0.00 175.10 174.95 3hrz s LEU 122 N 1.71 4.40 0.05 3.92 1.43 -1.26 -1.68 118.68 127.25 3hrz s LEU 122 Ca 0.06 0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 53.89 3hrz s LEU 122 Cb -0.18 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3hrz s LEU 122 CO 0.10 0.25 0.19 -0.72 0.23 0.00 0.00 176.35 176.40 3hrz s TYR 123 N -0.56 0.08 0.09 0.29 -0.85 -1.26 -1.41 117.35 113.73 3hrz s TYR 123 Ca 0.22 -0.34 0.07 0.00 -0.52 0.00 0.00 57.07 56.51 3hrz s TYR 123 Cb -0.15 -0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.11 3hrz s TYR 123 CO 0.11 -0.44 -0.19 1.03 -1.52 0.00 0.00 175.55 174.53 3hrz s ARG 124 N -2.77 1.06 -0.18 -3.49 0.52 0.91 -4.79 118.95 110.20 3hrz s ARG 124 Ca -0.04 -1.09 -0.01 0.00 -0.52 0.00 0.00 55.73 54.08 3hrz s ARG 124 Cb -0.00 -1.24 -0.00 0.00 0.52 0.00 0.00 34.95 34.23 3hrz s ARG 124 CO -0.05 0.29 -0.12 0.08 0.02 0.00 0.00 175.30 175.52 3hrz s VAL 125 N -1.16 2.86 0.01 3.52 1.01 -1.26 -0.47 120.40 124.90 3hrz s VAL 125 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3hrz s VAL 125 Cb -0.10 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3hrz s VAL 125 CO 0.04 0.49 0.06 -0.36 0.00 0.00 0.00 175.10 175.32 3hrz s PHE 126 N 1.11 3.23 -0.01 5.22 0.08 0.46 -4.93 117.98 123.13 3hrz s PHE 126 Ca 0.01 0.16 0.08 0.00 0.12 0.00 0.00 56.93 57.30 3hrz s PHE 126 Cb -0.14 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 3hrz s PHE 126 CO -0.03 0.53 -0.26 0.45 -0.10 0.00 0.00 175.22 175.81 3hrz s SER 127 N -1.76 3.10 0.48 1.36 0.15 -1.26 -0.11 113.70 115.65 3hrz s SER 127 Ca 0.23 -0.47 0.21 0.00 0.70 0.00 0.00 55.95 56.62 3hrz s SER 127 Cb -0.12 -0.35 1.20 0.00 -1.71 0.00 0.00 66.02 65.03 3hrz s SER 127 CO 0.14 0.31 2.01 0.24 1.20 0.00 0.00 173.24 177.14 3hrz h MET 128 N 5.41 0.00 -3.96 5.44 2.86 -1.57 -3.40 114.93 119.71 3hrz h MET 128 Ca -0.43 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 56.66 3hrz h MET 128 Cb 1.12 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 32.40 3hrz h MET 128 CO 0.47 0.18 -0.78 -0.51 1.06 0.00 0.00 176.91 177.32 3hrz s ASP 129 N -6.54 2.93 -0.10 1.22 1.01 -1.26 -5.04 116.67 108.90 3hrz s ASP 129 Ca -0.03 -0.76 0.02 0.00 0.71 0.00 0.00 52.55 52.49 3hrz s ASP 129 Cb 0.14 -0.82 -0.02 0.00 1.01 0.00 0.00 42.92 43.24 3hrz s ASP 129 CO 0.64 -0.23 -0.15 -2.28 0.21 0.00 0.00 175.17 173.36 3hrz s HIS 130 N 1.69 2.73 0.00 4.23 2.46 -1.26 -4.95 115.29 120.19 3hrz s HIS 130 Ca -0.01 -0.53 0.00 0.00 0.47 0.00 0.00 55.06 55.00 3hrz s HIS 130 Cb -0.16 -1.75 0.00 0.00 -0.13 0.00 0.00 32.58 30.54 3hrz s HIS 130 CO -0.07 -0.10 0.00 0.25 -2.47 0.00 0.00 174.74 172.34 3hrz n THR 138 N 3.10 0.00 -4.90 0.89 -2.24 -1.26 -5.20 114.28 104.66 3hrz n THR 138 Ca -0.18 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 3hrz n THR 138 Cb 0.52 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 3hrz n THR 138 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hrz s VAL 139 N 1.54 3.03 -0.19 2.28 1.01 -1.25 -4.00 120.40 122.82 3hrz s VAL 139 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 3hrz s VAL 139 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3hrz s VAL 139 CO 0.00 0.59 0.07 -0.63 0.00 0.00 0.00 175.10 175.13 3hrz s ILE 140 N -0.67 4.80 -0.12 2.22 -1.09 0.11 -0.55 121.20 125.90 3hrz s ILE 140 Ca 0.10 -0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.50 3hrz s ILE 140 Cb -0.11 -3.17 -0.01 0.00 -1.58 0.00 0.00 42.46 37.59 3hrz s ILE 140 CO 0.01 0.45 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.33 3hrz s VAL 141 N 0.46 2.94 -0.00 2.92 1.01 0.22 -0.75 120.40 127.19 3hrz s VAL 141 Ca 0.03 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.35 3hrz s VAL 141 Cb -0.13 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3hrz s VAL 141 CO 0.00 0.54 -0.15 -1.61 0.00 0.00 0.00 175.10 173.88 3hrz s GLU 142 N 0.20 1.16 -0.12 2.72 2.02 0.48 -1.71 118.70 123.46 3hrz s GLU 142 Ca -0.09 -0.56 -0.03 0.00 0.02 0.00 0.00 54.97 54.32 3hrz s GLU 142 Cb -0.15 -1.13 -0.03 0.00 0.10 0.00 0.00 34.13 32.92 3hrz s GLU 142 CO 0.05 0.31 -0.02 -0.06 0.02 0.00 0.00 175.26 175.56 3hrz s PHE 143 N -0.41 3.07 -0.01 1.61 0.40 -0.80 -0.58 117.98 121.25 3hrz s PHE 143 Ca 0.05 -0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.37 3hrz s PHE 143 Cb -0.06 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.58 3hrz s PHE 143 CO -0.00 0.19 -0.19 -0.65 0.70 0.00 0.00 175.22 175.27 3hrz s GLN 144 N -0.19 1.51 1.09 0.44 -0.21 -0.54 -0.96 119.66 120.80 3hrz s GLN 144 Ca 0.04 -0.68 -0.15 0.00 0.02 0.00 0.00 55.36 54.59 3hrz s GLN 144 Cb -0.13 -1.47 0.23 0.00 1.00 0.00 0.00 33.01 32.65 3hrz s GLN 144 CO 0.02 0.40 1.11 0.95 -2.12 0.00 0.00 175.29 175.65 3hrz s THR 145 N -0.46 1.83 0.43 -0.19 -4.23 0.14 -1.90 115.64 111.26 3hrz s THR 145 Ca 0.07 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 60.90 3hrz s THR 145 Cb -0.07 -2.51 0.34 0.00 1.34 0.00 0.00 72.50 71.60 3hrz s THR 145 CO -0.01 0.00 2.13 -0.65 -0.54 0.00 0.00 174.62 175.55 3hrz h PRO 146 N -2.19 0.00 -0.00 3.99 0.11 -1.88 -0.39 132.00 131.64 3hrz h PRO 146 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hrz h PRO 146 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hrz h PRO 146 CO 0.48 0.07 -0.00 0.39 -0.21 0.00 0.00 178.00 178.72 3hrz n GLU 147 N -3.46 1.19 -0.72 1.05 4.71 -1.26 -4.91 120.64 117.24 3hrz n GLU 147 Ca -0.02 -0.30 0.00 0.00 -0.01 0.00 0.00 57.16 56.83 3hrz n GLU 147 Cb 0.21 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 3hrz n GLU 147 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hrz n GLY 148 N 1.07 0.59 3.73 0.62 0.00 -0.16 -5.04 105.19 105.99 3hrz n GLY 148 Ca 0.22 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 3hrz n GLY 148 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrz s ILE 149 N -2.00 4.98 -0.19 -0.61 -1.09 -1.26 -4.77 121.20 116.26 3hrz s ILE 149 Ca 0.00 1.41 -0.29 0.00 -2.23 0.00 0.00 60.65 59.54 3hrz s ILE 149 Cb 0.00 -4.02 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 3hrz s ILE 149 CO 0.00 0.30 1.24 -0.22 -1.23 0.00 0.00 174.94 175.03 3hrz s LEU 150 N 0.49 4.13 0.00 2.97 2.96 -1.26 -0.68 118.68 127.29 3hrz s LEU 150 Ca 0.36 1.58 0.01 0.00 -0.22 0.00 0.00 54.13 55.86 3hrz s LEU 150 Cb -0.18 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 3hrz s LEU 150 CO 0.18 -0.80 0.24 1.33 -1.32 0.00 0.00 176.35 175.98 3hrz n VAL 151 N 5.50 0.00 -3.70 1.68 0.24 -0.13 -4.99 118.33 116.93 3hrz n VAL 151 Ca 0.14 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.82 3hrz n VAL 151 Cb 0.45 1.01 -0.09 0.00 -1.47 0.00 0.00 33.84 33.73 3hrz n VAL 151 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3hrz s SER 152 N -0.62 -0.54 -0.21 -1.34 0.15 -1.19 -4.96 113.70 105.00 3hrz s SER 152 Ca 0.00 1.00 -0.05 0.00 0.70 0.00 0.00 55.95 57.61 3hrz s SER 152 Cb 0.00 0.97 0.10 0.00 -1.71 0.00 0.00 66.02 65.39 3hrz s SER 152 CO 0.02 -0.18 0.36 -0.55 1.20 0.00 0.00 173.24 174.09 3hrz s SER 153 N 0.57 0.19 -0.06 5.45 0.15 -1.26 -1.91 113.70 116.84 3hrz s SER 153 Ca -0.03 0.51 -0.04 0.00 0.70 0.00 0.00 55.95 57.09 3hrz s SER 153 Cb -0.04 1.06 0.03 0.00 -1.71 0.00 0.00 66.02 65.35 3hrz s SER 153 CO -0.03 -0.27 0.13 0.20 1.20 0.00 0.00 173.24 174.47 3hrz s ASN 154 N 2.53 -0.12 -0.01 5.45 0.02 -0.69 -4.99 114.94 117.13 3hrz s ASN 154 Ca 0.06 0.27 -0.30 0.00 -1.02 0.00 0.00 52.86 51.87 3hrz s ASN 154 Cb -0.14 0.22 -0.05 0.00 0.02 0.00 0.00 41.25 41.30 3hrz s ASN 154 CO -0.13 -0.10 1.37 -0.44 0.02 0.00 0.00 177.10 177.82 3hrz s SER 155 N 0.61 6.88 0.12 -1.22 0.01 -1.26 -0.61 113.70 118.23 3hrz s SER 155 Ca -0.05 2.07 0.10 0.00 1.31 0.00 0.00 55.95 59.38 3hrz s SER 155 Cb -0.06 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3hrz s SER 155 CO -0.03 -0.70 -0.22 0.68 0.41 0.00 0.00 173.24 173.38 3hrz s VAL 156 N 2.35 2.58 0.04 3.43 -7.23 0.28 -4.97 120.40 116.88 3hrz s VAL 156 Ca 0.63 -1.60 -0.19 0.00 -1.81 0.00 0.00 61.98 59.01 3hrz s VAL 156 Cb -0.30 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 3hrz s VAL 156 CO 0.26 0.11 0.54 -0.62 -0.31 0.00 0.00 175.10 175.08 3hrz s ASP 157 N -2.06 6.98 0.00 4.85 2.15 -1.26 -3.75 116.67 123.59 3hrz s ASP 157 Ca 0.16 1.17 0.00 0.00 0.43 0.00 0.00 52.55 54.31 3hrz s ASP 157 Cb -0.10 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 3hrz s ASP 157 CO 0.08 0.25 0.44 0.18 -0.17 0.00 0.00 175.17 175.95 3hrz n LEU 158 N 1.98 0.10 -0.05 -1.34 4.77 -1.26 -2.31 117.00 118.89 3hrz n LEU 158 Ca -0.10 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.79 3hrz n LEU 158 Cb 0.51 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 3hrz n LEU 158 CO 0.41 0.02 -0.85 0.59 -1.33 0.00 0.00 177.39 176.24 3hrz n ASN 159 N -0.35 2.13 -3.77 -1.43 3.02 -1.26 -4.92 115.26 108.69 3hrz n ASN 159 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 3hrz n ASN 159 Cb 0.02 0.89 -0.17 0.00 -0.61 0.00 0.00 39.78 39.91 3hrz n ASN 159 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3hrz s PHE 160 N -2.36 0.64 0.11 3.10 5.36 -0.98 -5.14 117.98 118.71 3hrz s PHE 160 Ca -0.06 -0.15 0.09 0.00 -0.96 0.00 0.00 56.93 55.85 3hrz s PHE 160 Cb 0.04 -0.77 -0.04 0.00 -0.34 0.00 0.00 43.02 41.91 3hrz s PHE 160 CO 0.48 -0.31 -0.18 -0.06 -1.46 0.00 0.00 175.22 173.69 3hrz s PHE 161 N 1.92 2.55 -0.26 10.12 0.08 -1.26 -4.16 117.98 126.97 3hrz s PHE 161 Ca 0.04 -0.26 -0.08 0.00 0.12 0.00 0.00 56.93 56.75 3hrz s PHE 161 Cb -0.12 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 3hrz s PHE 161 CO -0.05 0.38 0.11 -1.58 -0.10 0.00 0.00 175.22 173.98 3hrz s TRP 162 N -1.13 3.13 0.35 0.36 0.52 -1.26 -5.02 118.94 115.89 3hrz s TRP 162 Ca 0.18 -0.27 -0.27 0.00 0.02 0.00 0.00 56.10 55.76 3hrz s TRP 162 Cb -0.11 -2.28 -0.12 0.00 -1.15 0.00 0.00 33.47 29.81 3hrz s TRP 162 CO 0.10 -0.31 1.08 -2.30 0.02 0.00 0.00 176.95 175.55 3hrz n PRO 163 N 4.97 1.56 -3.46 4.98 -0.02 -1.26 -4.90 135.00 136.86 3hrz n PRO 163 Ca -0.15 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 3hrz n PRO 163 Cb 0.51 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.85 3hrz n PRO 163 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hrz s TYR 164 N -1.15 3.22 -0.41 6.00 5.04 -0.68 -4.92 117.35 124.45 3hrz s TYR 164 Ca 0.59 -0.14 -0.24 0.00 -2.44 0.00 0.00 57.07 54.84 3hrz s TYR 164 Cb -0.61 -2.58 0.02 0.00 0.35 0.00 0.00 41.96 39.14 3hrz s TYR 164 CO 0.59 -0.41 0.85 -0.80 -1.34 0.00 0.00 175.55 174.44 3hrz s ASN 165 N 1.73 6.52 0.12 4.32 -0.87 -1.26 -0.09 114.94 125.41 3hrz s ASN 165 Ca 0.09 0.21 -0.31 0.00 -1.57 0.00 0.00 52.86 51.29 3hrz s ASN 165 Cb -0.17 -2.42 -0.07 0.00 -0.02 0.00 0.00 41.25 38.57 3hrz s ASN 165 CO 0.11 -0.89 1.29 -0.76 -2.57 0.00 0.00 177.10 174.28 3hrz s LEU 166 N 3.39 4.39 0.93 0.60 1.43 -0.21 -4.95 118.68 124.27 3hrz s LEU 166 Ca 0.34 2.22 -0.11 0.00 -1.03 0.00 0.00 54.13 55.54 3hrz s LEU 166 Cb -0.12 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.66 3hrz s LEU 166 CO 0.21 -0.53 1.09 -2.84 0.23 0.00 0.00 176.35 174.51 3hrz s PRO 167 N 0.71 0.97 0.12 1.29 0.02 -1.26 -2.40 135.00 134.44 3hrz s PRO 167 Ca 0.60 0.96 0.05 0.00 0.02 0.00 0.00 61.00 62.62 3hrz s PRO 167 Cb -0.34 -1.76 -0.20 0.00 0.02 0.00 0.00 34.50 32.21 3hrz s PRO 167 CO 0.32 -2.48 1.27 -0.44 -0.33 0.00 0.00 177.00 175.34 3hrz h ASP 168 N -1.73 0.08 -3.05 2.53 3.32 -1.91 -0.39 116.42 115.26 3hrz h ASP 168 Ca -0.50 -0.08 -0.75 0.00 0.02 0.00 0.00 57.03 55.72 3hrz h ASP 168 Cb 1.29 -0.03 -0.23 0.00 0.22 0.00 0.00 39.33 40.58 3hrz h ASP 168 CO 0.52 1.05 -0.15 -0.76 -1.72 0.00 0.00 179.24 178.18 3hrz s LEU 169 N -6.82 6.00 0.01 1.55 1.43 -1.26 -4.65 118.68 114.93 3hrz s LEU 169 Ca 0.00 -1.70 -0.01 0.00 -1.03 0.00 0.00 54.13 51.39 3hrz s LEU 169 Cb 0.10 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3hrz s LEU 169 CO 0.83 -0.91 0.00 0.54 0.23 0.00 0.00 176.35 177.04 3hrz s VAL 170 N 1.84 0.07 0.05 -1.59 0.11 -1.26 -5.08 120.40 114.55 3hrz s VAL 170 Ca 0.05 -0.60 -0.31 0.00 -2.93 0.00 0.00 61.98 58.20 3hrz s VAL 170 Cb -0.29 -0.21 -0.07 0.00 -1.53 0.00 0.00 36.38 34.29 3hrz s VAL 170 CO 0.04 -0.33 1.49 -0.55 -3.33 0.00 0.00 175.10 172.42 3hrz s SER 171 N -0.98 6.76 0.41 3.54 0.15 -1.26 -5.00 113.70 117.32 3hrz s SER 171 Ca -0.11 2.29 -0.14 0.00 0.70 0.00 0.00 55.95 58.70 3hrz s SER 171 Cb -0.07 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 3hrz s SER 171 CO -0.00 -0.76 0.82 -0.76 1.20 0.00 0.00 173.24 173.73 3hrz s LEU 172 N 2.19 3.84 0.00 3.45 1.43 -1.26 -4.82 118.68 123.51 3hrz s LEU 172 Ca 0.67 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 3hrz s LEU 172 Cb -0.36 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 41.69 3hrz s LEU 172 CO 0.29 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.09 3hrz n GLY 173 N -1.11 0.42 3.56 -3.19 0.00 -0.47 -4.82 105.19 99.59 3hrz n GLY 173 Ca 0.04 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 3hrz n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hrz s THR 174 N -0.24 4.77 0.56 2.61 2.01 -1.26 -0.75 115.64 123.34 3hrz s THR 174 Ca 0.00 0.53 -0.05 0.00 0.31 0.00 0.00 61.69 62.47 3hrz s THR 174 Cb 0.00 -4.20 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 3hrz s THR 174 CO 0.00 -0.51 0.86 0.26 -0.69 0.00 0.00 174.62 174.54 3hrz s TRP 175 N 3.00 3.31 -0.01 4.92 0.52 0.16 -3.86 118.94 126.98 3hrz s TRP 175 Ca 0.27 0.65 0.06 0.00 0.02 0.00 0.00 56.10 57.10 3hrz s TRP 175 Cb -0.13 -2.63 -0.01 0.00 -1.15 0.00 0.00 33.47 29.55 3hrz s TRP 175 CO 0.18 -0.69 -0.18 1.03 0.02 0.00 0.00 176.95 177.32 3hrz s ARG 176 N -4.92 1.46 -0.13 4.98 0.52 -0.80 -1.98 118.95 118.08 3hrz s ARG 176 Ca 0.52 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 55.06 3hrz s ARG 176 Cb -0.10 -1.41 -0.03 0.00 0.52 0.00 0.00 34.95 33.92 3hrz s ARG 176 CO 0.45 0.39 -0.03 0.42 0.02 0.00 0.00 175.30 176.54 3hrz s ILE 177 N -0.42 4.00 -0.12 1.52 1.01 0.35 -1.46 121.20 126.08 3hrz s ILE 177 Ca 0.07 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.41 3hrz s ILE 177 Cb -0.07 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.68 3hrz s ILE 177 CO -0.01 0.53 -0.21 -0.69 0.00 0.00 0.00 174.94 174.56 3hrz s VAL 178 N -0.03 1.93 -0.13 2.92 1.01 0.25 -0.50 120.40 125.85 3hrz s VAL 178 Ca 0.02 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 3hrz s VAL 178 Cb -0.13 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3hrz s VAL 178 CO 0.02 0.53 -0.11 0.00 0.00 0.00 0.00 175.10 175.54 3hrz s ALA 179 N 0.71 2.73 -0.02 5.51 0.00 -0.16 -0.38 121.76 130.14 3hrz s ALA 179 Ca -0.10 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 3hrz s ALA 179 Cb -0.16 -1.27 0.03 0.00 0.00 0.00 0.00 23.12 21.71 3hrz s ALA 179 CO 0.01 0.28 0.33 -1.59 0.00 0.00 0.00 175.76 174.80 3hrz s LYS 180 N 0.21 0.68 0.37 0.00 -2.85 0.07 -1.14 119.74 117.08 3hrz s LYS 180 Ca -0.07 -0.13 -0.26 0.00 -1.00 0.00 0.00 55.97 54.51 3hrz s LYS 180 Cb -0.15 0.30 -0.09 0.00 -2.06 0.00 0.00 37.83 35.83 3hrz s LYS 180 CO 0.05 -0.18 1.11 0.71 0.10 0.00 0.00 175.35 177.13 3hrz s TYR 181 N -1.24 3.28 0.36 1.78 2.02 -1.26 0.06 117.35 122.34 3hrz s TYR 181 Ca -0.13 1.62 -0.28 0.00 -0.37 0.00 0.00 57.07 57.92 3hrz s TYR 181 Cb -0.05 -3.27 -0.10 0.00 -0.40 0.00 0.00 41.96 38.14 3hrz s TYR 181 CO 0.04 -0.87 1.34 -1.83 -1.57 0.00 0.00 175.55 172.66 3hrz s GLU 182 N -2.14 4.19 0.00 -0.62 -1.05 -1.26 -2.06 118.70 115.76 3hrz s GLU 182 Ca 0.54 2.26 0.00 0.00 -0.15 0.00 0.00 54.97 57.62 3hrz s GLU 182 Cb -0.28 -2.96 0.00 0.00 -0.44 0.00 0.00 34.13 30.46 3hrz s GLU 182 CO 0.35 -0.34 0.00 0.72 0.95 0.00 0.00 175.26 176.94 3hrz n HIS 183 N 0.53 0.00 -3.71 4.83 8.25 -1.26 -5.02 115.22 118.84 3hrz n HIS 183 Ca 0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.11 3hrz n HIS 183 Cb 0.42 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.42 3hrz n HIS 183 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hrz s SER 184 N -2.70 5.84 0.37 0.41 0.15 -0.88 -4.83 113.70 112.07 3hrz s SER 184 Ca 0.00 0.01 0.27 0.00 0.70 0.00 0.00 55.95 56.94 3hrz s SER 184 Cb 0.00 -2.06 0.94 0.00 -1.71 0.00 0.00 66.02 63.20 3hrz s SER 184 CO 0.00 0.03 1.79 -0.65 1.20 0.00 0.00 173.24 175.61 3hrz h PRO 185 N 7.77 0.00 -7.47 5.44 0.11 -1.96 -3.43 132.00 132.45 3hrz h PRO 185 Ca -0.37 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.25 3hrz h PRO 185 Cb 1.18 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.37 3hrz h PRO 185 CO 0.62 0.00 0.40 -1.21 -0.21 0.00 0.00 178.00 177.60 3hrz s GLU 186 N -3.36 2.78 0.05 1.05 8.01 -1.26 -5.08 118.70 120.88 3hrz s GLU 186 Ca 0.05 0.41 -0.28 0.00 0.01 0.00 0.00 54.97 55.16 3hrz s GLU 186 Cb 0.09 -2.03 0.10 0.00 -4.31 0.00 0.00 34.13 27.98 3hrz s GLU 186 CO 0.53 -1.07 1.16 0.54 0.01 0.00 0.00 175.26 176.43 3hrz s ASN 187 N -4.38 -0.11 -0.14 -0.19 2.20 -1.26 -4.73 114.94 106.34 3hrz s ASN 187 Ca 0.58 -0.24 -0.02 0.00 -0.94 0.00 0.00 52.86 52.24 3hrz s ASN 187 Cb -0.11 0.29 -0.03 0.00 -2.00 0.00 0.00 41.25 39.40 3hrz s ASN 187 CO 0.51 -0.53 -0.06 -0.47 -2.94 0.00 0.00 177.10 173.61 3hrz s TYR 188 N -2.76 2.97 -0.13 1.54 5.04 -0.29 -4.98 117.35 118.73 3hrz s TYR 188 Ca 0.13 -0.33 -0.00 0.00 -2.44 0.00 0.00 57.07 54.44 3hrz s TYR 188 Cb 0.02 -1.90 -0.01 0.00 0.35 0.00 0.00 41.96 40.42 3hrz s TYR 188 CO -0.02 -0.02 -0.14 0.99 -1.34 0.00 0.00 175.55 175.03 3hrz s THR 189 N 0.20 2.98 0.29 4.34 2.01 -1.26 -0.99 115.64 123.22 3hrz s THR 189 Ca -0.04 -0.68 0.10 0.00 0.31 0.00 0.00 61.69 61.38 3hrz s THR 189 Cb -0.14 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 3hrz s THR 189 CO 0.03 0.52 -0.05 0.00 -0.69 0.00 0.00 174.62 174.44 3hrz s ALA 190 N 0.41 3.08 0.13 7.40 0.00 0.34 -4.98 121.76 128.13 3hrz s ALA 190 Ca -0.11 -1.81 0.08 0.00 0.00 0.00 0.00 51.96 50.13 3hrz s ALA 190 Cb -0.16 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3hrz s ALA 190 CO 0.05 0.20 -0.20 0.71 0.00 0.00 0.00 175.76 176.53 3hrz s TYR 191 N -2.44 1.80 -0.05 0.00 2.02 -1.26 -0.49 117.35 116.93 3hrz s TYR 191 Ca 0.32 -0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 56.46 3hrz s TYR 191 Cb -0.04 -0.95 0.02 0.00 -0.40 0.00 0.00 41.96 40.59 3hrz s TYR 191 CO 0.19 0.26 0.28 -0.59 -1.57 0.00 0.00 175.55 174.12 3hrz s PHE 192 N -1.55 -0.21 0.08 2.71 -0.12 -0.84 -4.89 117.98 113.17 3hrz s PHE 192 Ca 0.10 0.42 -0.15 0.00 -0.05 0.00 0.00 56.93 57.26 3hrz s PHE 192 Cb -0.08 0.08 -0.06 0.00 -0.63 0.00 0.00 43.02 42.33 3hrz s PHE 192 CO 0.05 -0.29 0.50 -0.51 -0.05 0.00 0.00 175.22 174.93 3hrz s ASP 193 N -0.76 6.86 -0.21 1.98 1.01 -0.20 0.40 116.67 125.75 3hrz s ASP 193 Ca -0.08 1.06 -0.02 0.00 0.71 0.00 0.00 52.55 54.22 3hrz s ASP 193 Cb -0.04 -2.28 0.01 0.00 1.01 0.00 0.00 42.92 41.61 3hrz s ASP 193 CO 0.02 0.21 -0.11 -0.69 0.21 0.00 0.00 175.17 174.81 3hrz s VAL 194 N -1.28 2.75 0.06 -1.27 1.01 0.07 0.38 120.40 122.13 3hrz s VAL 194 Ca 0.32 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 3hrz s VAL 194 Cb -0.16 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 3hrz s VAL 194 CO 0.18 0.45 0.16 -0.13 0.00 0.00 0.00 175.10 175.75 3hrz s ARG 195 N 1.38 0.73 -0.93 2.72 1.81 0.08 -1.36 118.95 123.37 3hrz s ARG 195 Ca 0.05 -0.83 -0.19 0.00 -1.72 0.00 0.00 55.73 53.04 3hrz s ARG 195 Cb -0.14 0.29 0.13 0.00 -0.45 0.00 0.00 34.95 34.78 3hrz s ARG 195 CO -0.08 -0.21 1.13 0.15 -0.68 0.00 0.00 175.30 175.61 3hrz s LYS 196 N -3.20 3.59 0.16 3.54 1.02 -1.26 -3.95 119.74 119.64 3hrz s LYS 196 Ca -0.00 -1.74 0.05 0.00 0.02 0.00 0.00 55.97 54.30 3hrz s LYS 196 Cb 0.02 -4.92 -0.04 0.00 -0.52 0.00 0.00 37.83 32.37 3hrz s LYS 196 CO -0.07 -1.78 -0.10 1.52 -0.92 0.00 0.00 175.35 174.00 3hrz s TYR 197 N 2.74 1.32 0.13 3.18 -0.85 -1.26 -5.14 117.35 117.46 3hrz s TYR 197 Ca 0.33 -0.76 0.09 0.00 -0.52 0.00 0.00 57.07 56.21 3hrz s TYR 197 Cb -0.05 -0.67 -0.04 0.00 0.38 0.00 0.00 41.96 41.58 3hrz s TYR 197 CO -0.09 0.09 -0.21 0.14 -1.52 0.00 0.00 175.55 173.96 3hrz s VAL 198 N -3.31 1.85 0.13 -3.49 -7.23 -1.26 -4.95 120.40 102.13 3hrz s VAL 198 Ca 0.18 -1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 58.35 3hrz s VAL 198 Cb 0.03 -1.71 -0.08 0.00 0.56 0.00 0.00 36.38 35.17 3hrz s VAL 198 CO 0.02 -0.10 1.34 -0.76 -0.31 0.00 0.00 175.10 175.28 3hrz s LEU 199 N -2.15 4.38 0.86 1.32 1.43 -1.26 -5.00 118.68 118.26 3hrz s LEU 199 Ca 0.10 2.29 -0.11 0.00 -1.03 0.00 0.00 54.13 55.38 3hrz s LEU 199 Cb -0.09 -3.59 0.11 0.00 0.03 0.00 0.00 46.19 42.65 3hrz s LEU 199 CO 0.05 -0.59 1.09 -2.16 0.23 0.00 0.00 176.35 174.98 3hrz s PRO 200 N 0.78 1.58 0.00 1.29 0.05 -1.26 -4.96 135.00 132.48 3hrz s PRO 200 Ca 0.61 0.89 0.25 0.00 0.05 0.00 0.00 61.00 62.81 3hrz s PRO 200 Cb -0.35 -1.84 0.56 0.00 0.05 0.00 0.00 34.50 32.92 3hrz s PRO 200 CO 0.32 -2.04 1.44 -1.13 0.05 0.00 0.00 177.00 175.65 3hrz n SER 201 N -3.75 1.08 -3.94 6.66 3.41 -1.26 -4.85 113.62 110.96 3hrz n SER 201 Ca 0.07 -0.88 -0.09 0.00 -0.26 0.00 0.00 58.87 57.72 3hrz n SER 201 Cb 0.55 0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.66 3hrz n SER 201 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hrz s PHE 202 N -2.60 0.34 0.08 7.33 -0.12 -1.26 -2.08 117.98 119.67 3hrz s PHE 202 Ca 0.21 -0.76 0.06 0.00 -0.05 0.00 0.00 56.93 56.39 3hrz s PHE 202 Cb 0.19 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 3hrz s PHE 202 CO 0.57 -0.58 -0.09 -2.00 -0.05 0.00 0.00 175.22 173.08 3hrz s GLU 203 N -3.92 2.25 -0.18 1.99 2.12 1.00 -4.88 118.70 117.08 3hrz s GLU 203 Ca 0.11 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.50 3hrz s GLU 203 Cb 0.05 -2.36 0.01 0.00 0.26 0.00 0.00 34.13 32.10 3hrz s GLU 203 CO -0.06 0.53 -0.17 0.08 -0.54 0.00 0.00 175.26 175.09 3hrz s VAL 204 N -1.16 2.30 -0.10 3.70 1.01 -1.26 -1.60 120.40 123.29 3hrz s VAL 204 Ca 0.20 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 3hrz s VAL 204 Cb -0.11 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3hrz s VAL 204 CO 0.12 0.52 -0.04 -0.13 0.00 0.00 0.00 175.10 175.57 3hrz s ARG 205 N 1.25 3.15 -0.06 2.72 0.52 0.71 -4.98 118.95 122.27 3hrz s ARG 205 Ca 0.04 -0.50 0.05 0.00 -0.52 0.00 0.00 55.73 54.79 3hrz s ARG 205 Cb -0.14 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 3hrz s ARG 205 CO -0.10 0.52 -0.20 -0.51 0.02 0.00 0.00 175.30 175.03 3hrz s LEU 206 N -0.40 2.39 -0.18 2.53 1.43 -1.26 -0.68 118.68 122.51 3hrz s LEU 206 Ca 0.06 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3hrz s LEU 206 Cb -0.12 -1.47 0.05 0.00 0.03 0.00 0.00 46.19 44.68 3hrz s LEU 206 CO 0.02 0.28 -0.02 -1.58 0.23 0.00 0.00 176.35 175.28 3hrz s GLN 207 N -0.33 1.11 0.59 1.70 2.00 -0.36 -4.98 119.66 119.40 3hrz s GLN 207 Ca 0.02 -0.50 -0.16 0.00 -2.00 0.00 0.00 55.36 52.72 3hrz s GLN 207 Cb -0.13 -2.04 -0.04 0.00 0.80 0.00 0.00 33.01 31.61 3hrz s GLN 207 CO 0.02 -0.52 1.06 -1.25 -0.50 0.00 0.00 175.29 174.10 3hrz s PRO 208 N 1.71 3.34 0.26 1.67 0.04 -1.26 -0.86 135.00 139.90 3hrz s PRO 208 Ca -0.01 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.22 3hrz s PRO 208 Cb -0.16 -2.04 0.33 0.00 0.04 0.00 0.00 34.50 32.67 3hrz s PRO 208 CO -0.07 -0.79 1.76 0.66 0.04 0.00 0.00 177.00 178.59 3hrz h SER 209 N 0.47 0.76 -4.74 6.66 4.64 -1.24 -3.44 113.55 116.66 3hrz h SER 209 Ca -0.47 -0.19 -0.21 0.00 -0.47 0.00 0.00 61.79 60.46 3hrz h SER 209 Cb 1.22 -0.20 -0.15 0.00 -0.31 0.00 0.00 62.40 62.95 3hrz h SER 209 CO 0.58 0.83 -0.70 -1.61 -0.87 0.00 0.00 176.83 175.06 3hrz s GLU 210 N -4.98 0.76 0.00 4.77 0.41 -1.26 -5.02 118.70 113.38 3hrz s GLU 210 Ca -0.09 -1.25 0.29 0.00 -0.41 0.00 0.00 54.97 53.50 3hrz s GLU 210 Cb 0.15 -0.13 1.59 0.00 -1.78 0.00 0.00 34.13 33.95 3hrz s GLU 210 CO 0.81 -0.03 2.03 1.17 -0.49 0.00 0.00 175.26 178.75 3hrz n LYS 211 N 0.14 0.67 -4.11 1.61 3.00 -1.26 -4.84 118.16 113.37 3hrz n LYS 211 Ca -0.14 0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.06 3hrz n LYS 211 Cb 0.60 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 34.07 3hrz n LYS 211 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 3hrz s PHE 212 N -2.28 0.92 -0.06 5.64 -0.12 -1.26 -3.91 117.98 116.91 3hrz s PHE 212 Ca 0.36 -1.17 -0.02 0.00 -0.05 0.00 0.00 56.93 56.05 3hrz s PHE 212 Cb 0.20 -0.18 0.03 0.00 -0.63 0.00 0.00 43.02 42.44 3hrz s PHE 212 CO 0.38 -0.94 0.02 0.12 -0.05 0.00 0.00 175.22 174.76 3hrz s PHE 213 N -3.68 0.42 0.02 3.49 5.36 -0.35 -4.94 117.98 118.30 3hrz s PHE 213 Ca 0.31 0.01 -0.30 0.00 -0.96 0.00 0.00 56.93 55.98 3hrz s PHE 213 Cb 0.02 -0.66 -0.07 0.00 -0.34 0.00 0.00 43.02 41.96 3hrz s PHE 213 CO 0.15 -0.27 1.67 0.71 -1.46 0.00 0.00 175.22 176.02 3hrz s TYR 214 N 2.01 2.21 0.35 10.12 2.02 -1.26 -1.54 117.35 131.26 3hrz s TYR 214 Ca 0.04 0.24 0.06 0.00 -0.37 0.00 0.00 57.07 57.05 3hrz s TYR 214 Cb -0.12 -3.96 0.74 0.00 -0.40 0.00 0.00 41.96 38.22 3hrz s TYR 214 CO -0.04 -3.93 1.92 0.97 -1.57 0.00 0.00 175.55 172.90 3hrz h ILE 215 N 5.12 0.96 -0.37 2.71 2.10 -0.97 -2.02 117.51 125.04 3hrz h ILE 215 Ca -0.42 -0.26 -0.28 0.00 1.08 0.00 0.00 64.86 64.98 3hrz h ILE 215 Cb 1.20 0.12 -0.25 0.00 -1.09 0.00 0.00 36.82 36.80 3hrz h ILE 215 CO 0.94 0.14 -0.72 -0.90 -1.08 0.00 0.00 178.15 176.52 3hrz n ASP 216 N -4.51 3.11 -4.50 2.19 5.68 -1.26 -5.00 116.55 112.25 3hrz n ASP 216 Ca 0.14 -3.59 -0.26 0.00 -0.50 0.00 0.00 54.79 50.58 3hrz n ASP 216 Cb 0.32 -0.43 0.13 0.00 -1.14 0.00 0.00 41.12 40.00 3hrz n ASP 216 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3hrz s GLY 217 N -3.36 1.76 -0.00 6.12 0.00 -0.76 -5.02 107.32 106.05 3hrz s GLY 217 Ca 0.43 -1.42 0.12 0.00 0.00 0.00 0.00 44.72 43.85 3hrz s GLY 217 CO -0.02 -0.80 0.48 0.70 0.00 0.00 0.00 173.10 173.46 3hrz n ASN 218 N -3.20 0.68 -4.80 1.64 3.02 -1.26 -5.03 115.26 106.31 3hrz n ASN 218 Ca 0.14 -0.72 -0.34 0.00 -0.03 0.00 0.00 54.58 53.63 3hrz n ASN 218 Cb 0.60 1.04 -0.03 0.00 -0.61 0.00 0.00 39.78 40.78 3hrz n ASN 218 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3hrz s GLU 219 N -2.16 3.74 0.75 3.52 1.03 -1.26 -4.76 118.70 119.56 3hrz s GLU 219 Ca 0.04 1.37 -0.09 0.00 0.03 0.00 0.00 54.97 56.31 3hrz s GLU 219 Cb 0.09 -2.08 0.07 0.00 -0.80 0.00 0.00 34.13 31.40 3hrz s GLU 219 CO 0.48 -0.49 1.09 -0.80 -1.33 0.00 0.00 175.26 174.22 3hrz s ASN 220 N -2.02 4.69 -0.01 0.83 0.01 -1.26 -4.43 114.94 112.75 3hrz s ASN 220 Ca 0.67 0.63 0.07 0.00 -0.71 0.00 0.00 52.86 53.53 3hrz s ASN 220 Cb -0.17 -1.22 -0.02 0.00 0.41 0.00 0.00 41.25 40.26 3hrz s ASN 220 CO 0.21 -1.73 -0.24 0.12 -1.51 0.00 0.00 177.10 173.96 3hrz s PHE 221 N -3.41 2.10 0.09 2.20 5.36 -0.71 -4.97 117.98 118.64 3hrz s PHE 221 Ca 0.61 -0.40 0.07 0.00 -0.96 0.00 0.00 56.93 56.25 3hrz s PHE 221 Cb -0.11 -1.33 -0.03 0.00 -0.34 0.00 0.00 43.02 41.20 3hrz s PHE 221 CO 0.47 -0.01 -0.18 -1.01 -1.46 0.00 0.00 175.22 173.03 3hrz s HIS 222 N -0.60 1.59 -0.15 10.12 3.76 -1.26 -0.46 115.29 128.29 3hrz s HIS 222 Ca 0.09 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 3hrz s HIS 222 Cb -0.09 -0.87 0.02 0.00 1.11 0.00 0.00 32.58 32.74 3hrz s HIS 222 CO -0.00 0.15 -0.17 0.08 -0.85 0.00 0.00 174.74 173.95 3hrz s VAL 223 N -1.21 1.76 -0.03 -0.90 1.01 -0.33 -0.59 120.40 120.12 3hrz s VAL 223 Ca 0.04 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.00 3hrz s VAL 223 Cb -0.10 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3hrz s VAL 223 CO 0.04 0.49 0.80 -0.44 0.00 0.00 0.00 175.10 175.99 3hrz s SER 224 N 1.32 7.15 -0.17 3.32 0.01 -0.04 -1.44 113.70 123.85 3hrz s SER 224 Ca 0.03 1.39 -0.05 0.00 1.31 0.00 0.00 55.95 58.63 3hrz s SER 224 Cb -0.13 -2.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 3hrz s SER 224 CO -0.10 -0.14 -0.01 -0.63 0.41 0.00 0.00 173.24 172.78 3hrz s ILE 225 N 0.73 4.11 -0.17 1.44 1.01 0.84 -1.22 121.20 127.94 3hrz s ILE 225 Ca 0.42 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.81 3hrz s ILE 225 Cb -0.19 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.46 3hrz s ILE 225 CO 0.22 0.47 -0.17 -0.89 0.00 0.00 0.00 174.94 174.57 3hrz s THR 226 N 0.52 2.41 -0.18 2.92 2.01 0.14 -1.60 115.64 121.87 3hrz s THR 226 Ca -0.01 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.16 3hrz s THR 226 Cb -0.14 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.38 3hrz s THR 226 CO 0.02 0.52 -0.16 0.00 -0.69 0.00 0.00 174.62 174.32 3hrz s ALA 227 N 1.05 2.13 -0.01 7.40 0.00 0.11 -0.20 121.76 132.23 3hrz s ALA 227 Ca -0.01 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.83 3hrz s ALA 227 Cb -0.14 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 3hrz s ALA 227 CO -0.05 -0.51 -0.09 1.03 0.00 0.00 0.00 175.76 176.14 3hrz s ARG 228 N 1.36 0.75 0.63 0.00 0.52 -0.63 -1.71 118.95 119.87 3hrz s ARG 228 Ca 0.03 -0.31 -0.17 0.00 -0.52 0.00 0.00 55.73 54.75 3hrz s ARG 228 Cb -0.14 -0.72 -0.02 0.00 0.52 0.00 0.00 34.95 34.59 3hrz s ARG 228 CO -0.11 0.18 1.18 0.71 0.02 0.00 0.00 175.30 177.28 3hrz s TYR 229 N -0.14 2.41 0.37 -0.53 2.02 0.49 -0.00 117.35 121.97 3hrz s TYR 229 Ca 0.02 1.54 0.33 0.00 -0.37 0.00 0.00 57.07 58.60 3hrz s TYR 229 Cb -0.04 -3.39 1.62 0.00 -0.40 0.00 0.00 41.96 39.75 3hrz s TYR 229 CO -0.00 -2.09 2.10 -0.07 -1.57 0.00 0.00 175.55 173.92 3hrz h LEU 230 N 0.53 0.00 -0.05 -1.29 3.38 -1.74 0.11 115.31 116.25 3hrz h LEU 230 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3hrz h LEU 230 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3hrz h LEU 230 CO 0.54 0.07 -0.01 0.00 0.09 0.00 0.00 178.44 179.13 3hrz n TYR 231 N -3.35 0.00 0.00 1.13 0.18 -1.26 -4.93 117.16 108.93 3hrz n TYR 231 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 3hrz n TYR 231 Cb 0.23 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 39.03 3hrz n TYR 231 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3hrz n GLY 232 N 1.17 1.30 3.96 -7.48 0.00 0.36 -5.11 105.19 99.38 3hrz n GLY 232 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 3hrz n GLY 232 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hrz s GLU 233 N -0.10 3.32 0.34 1.61 0.41 -1.25 -4.78 118.70 118.25 3hrz s GLU 233 Ca 0.00 -0.57 -0.26 0.00 -0.41 0.00 0.00 54.97 53.73 3hrz s GLU 233 Cb 0.00 -2.71 -0.09 0.00 -1.78 0.00 0.00 34.13 29.55 3hrz s GLU 233 CO 0.00 0.10 1.03 -1.21 -0.49 0.00 0.00 175.26 174.69 3hrz s GLU 234 N -4.28 4.42 -0.09 1.61 2.02 -1.26 -0.38 118.70 120.73 3hrz s GLU 234 Ca 0.41 1.53 -0.13 0.00 0.02 0.00 0.00 54.97 56.81 3hrz s GLU 234 Cb -0.10 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 3hrz s GLU 234 CO 0.34 0.08 0.31 0.08 0.02 0.00 0.00 175.26 176.10 3hrz s VAL 235 N -1.50 5.24 -0.12 2.63 1.01 -0.70 -4.77 120.40 122.20 3hrz s VAL 235 Ca 0.52 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 3hrz s VAL 235 Cb -0.24 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3hrz s VAL 235 CO 0.30 0.50 -0.02 -0.70 0.00 0.00 0.00 175.10 175.18 3hrz s GLU 236 N -0.36 3.34 0.00 2.72 2.12 -1.26 -0.39 118.70 124.87 3hrz s GLU 236 Ca 0.19 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.06 3hrz s GLU 236 Cb -0.14 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.39 3hrz s GLU 236 CO 0.07 0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.67 3hrz n GLY 237 N 2.85 -0.85 3.01 -1.50 0.00 0.29 -0.27 105.19 108.72 3hrz n GLY 237 Ca -0.18 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 3hrz n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrz s VAL 238 N -4.00 0.09 0.00 1.61 1.01 -0.48 0.15 120.40 118.78 3hrz s VAL 238 Ca 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3hrz s VAL 238 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 3hrz s VAL 238 CO 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 175.10 174.54 3hrz s ALA 239 N -1.26 1.31 -0.22 5.51 0.00 0.62 -0.59 121.76 127.14 3hrz s ALA 239 Ca -0.14 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 3hrz s ALA 239 Cb -0.08 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3hrz s ALA 239 CO -0.00 0.31 -0.10 -0.06 0.00 0.00 0.00 175.76 175.91 3hrz s PHE 240 N -0.50 2.94 -0.12 0.00 0.08 -0.00 -0.27 117.98 120.11 3hrz s PHE 240 Ca 0.05 -1.37 0.02 0.00 0.12 0.00 0.00 56.93 55.75 3hrz s PHE 240 Cb -0.07 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 3hrz s PHE 240 CO -0.00 -0.69 -0.18 0.08 -0.10 0.00 0.00 175.22 174.33 3hrz s VAL 241 N 1.37 2.59 -0.10 -0.44 1.01 0.43 -1.77 120.40 123.48 3hrz s VAL 241 Ca 0.04 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3hrz s VAL 241 Cb -0.15 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.20 3hrz s VAL 241 CO -0.07 0.54 -0.12 -0.22 0.00 0.00 0.00 175.10 175.23 3hrz s LEU 242 N 0.38 1.56 0.31 3.92 2.96 -0.57 -0.77 118.68 126.47 3hrz s LEU 242 Ca -0.14 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3hrz s LEU 242 Cb -0.17 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.52 3hrz s LEU 242 CO 0.07 -0.02 0.50 -0.36 -1.32 0.00 0.00 176.35 175.22 3hrz s PHE 243 N 1.13 3.49 0.24 5.38 0.08 -1.26 -0.69 117.98 126.35 3hrz s PHE 243 Ca -0.05 0.31 -0.20 0.00 0.12 0.00 0.00 56.93 57.11 3hrz s PHE 243 Cb -0.14 -1.85 0.07 0.00 -0.57 0.00 0.00 43.02 40.53 3hrz s PHE 243 CO -0.03 0.20 0.99 0.20 -0.10 0.00 0.00 175.22 176.49 3hrz s GLY 244 N -3.87 0.21 -0.12 4.36 0.00 -0.71 -0.26 107.32 106.93 3hrz s GLY 244 Ca 0.39 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.66 3hrz s GLY 244 CO 0.34 2.10 -0.23 0.14 0.00 0.00 0.00 173.10 175.45 3hrz s VAL 245 N -2.07 2.04 -0.39 1.40 1.01 0.74 -1.37 120.40 121.76 3hrz s VAL 245 Ca 0.22 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 3hrz s VAL 245 Cb -0.03 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3hrz s VAL 245 CO 0.07 0.55 0.66 -0.75 0.00 0.00 0.00 175.10 175.63 3hrz s LYS 246 N 0.59 3.54 -0.59 2.72 2.20 0.18 -0.91 119.74 127.48 3hrz s LYS 246 Ca -0.13 -0.07 -0.09 0.00 -0.36 0.00 0.00 55.97 55.32 3hrz s LYS 246 Cb -0.17 -3.86 0.15 0.00 -1.51 0.00 0.00 37.83 32.44 3hrz s LYS 246 CO 0.03 -0.86 0.47 0.42 -0.36 0.00 0.00 175.35 175.05 3hrz s ILE 247 N 2.82 4.48 0.00 5.43 1.01 0.23 -3.06 121.20 132.12 3hrz s ILE 247 Ca 0.25 -2.16 0.00 0.00 0.00 0.00 0.00 60.65 58.74 3hrz s ILE 247 Cb -0.14 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.44 3hrz s ILE 247 CO 0.17 -0.86 0.00 0.47 0.00 0.00 0.00 174.94 174.72 3hrz n ASP 248 N 4.44 0.00 -0.04 3.58 10.43 -1.26 -2.53 116.55 131.16 3hrz n ASP 248 Ca -0.00 0.00 -0.22 0.00 2.57 0.00 0.00 54.79 57.14 3hrz n ASP 248 Cb 0.41 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 43.24 3hrz n ASP 248 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3hrz n ASP 249 N 10.79 2.04 -4.77 -2.24 8.00 -1.26 -4.96 116.55 124.16 3hrz n ASP 249 Ca 0.00 0.22 -0.39 0.00 0.71 0.00 0.00 54.79 55.33 3hrz n ASP 249 Cb 0.00 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 40.24 3hrz n ASP 249 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hrz s ALA 250 N -2.51 3.32 -0.20 2.24 0.00 -1.05 -5.03 121.76 118.53 3hrz s ALA 250 Ca -0.26 1.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 3hrz s ALA 250 Cb 0.07 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3hrz s ALA 250 CO 0.69 -0.45 0.04 0.15 0.00 0.00 0.00 175.76 176.19 3hrz s LYS 251 N -1.92 3.75 -0.41 0.00 1.02 -1.26 -0.60 119.74 120.32 3hrz s LYS 251 Ca 0.51 -0.45 -0.09 0.00 0.02 0.00 0.00 55.97 55.96 3hrz s LYS 251 Cb -0.33 -3.17 0.07 0.00 -0.52 0.00 0.00 37.83 33.87 3hrz s LYS 251 CO 0.43 0.07 0.24 0.21 -0.92 0.00 0.00 175.35 175.38 3hrz s LYS 252 N 0.88 2.61 0.75 1.68 2.20 -0.09 -4.97 119.74 122.82 3hrz s LYS 252 Ca 0.02 -1.40 -0.11 0.00 -0.36 0.00 0.00 55.97 54.12 3hrz s LYS 252 Cb -0.14 -3.74 0.04 0.00 -1.51 0.00 0.00 37.83 32.48 3hrz s LYS 252 CO 0.02 -0.90 1.08 -1.54 -0.36 0.00 0.00 175.35 173.65 3hrz s SER 253 N 1.99 4.89 -0.67 1.43 1.04 -1.26 -0.19 113.70 120.92 3hrz s SER 253 Ca 0.03 1.39 -0.05 0.00 0.48 0.00 0.00 55.95 57.79 3hrz s SER 253 Cb -0.22 -2.18 0.17 0.00 0.10 0.00 0.00 66.02 63.90 3hrz s SER 253 CO 0.02 -1.73 0.51 -0.63 0.98 0.00 0.00 173.24 172.40 3hrz s ILE 254 N -3.14 4.06 0.39 -1.02 1.01 0.65 -4.84 121.20 118.30 3hrz s ILE 254 Ca 0.60 -2.92 0.06 0.00 0.00 0.00 0.00 60.65 58.38 3hrz s ILE 254 Cb -0.14 -3.61 0.27 0.00 0.01 0.00 0.00 42.46 38.99 3hrz s ILE 254 CO 0.54 -0.91 2.03 -0.65 0.00 0.00 0.00 174.94 175.95 3hrz h PRO 255 N 7.10 0.65 0.00 2.79 0.11 -1.96 0.24 132.00 140.93 3hrz h PRO 255 Ca 0.01 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3hrz h PRO 255 Cb 0.96 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3hrz h PRO 255 CO 0.72 0.43 0.00 -0.25 -0.21 0.00 0.00 178.00 178.69 3hrz n ASP 256 N -4.46 0.00 0.01 -2.05 8.00 -1.26 -2.33 116.55 114.46 3hrz n ASP 256 Ca 0.05 -0.06 0.13 0.00 0.71 0.00 0.00 54.79 55.61 3hrz n ASP 256 Cb 0.08 -0.27 0.34 0.00 -0.02 0.00 0.00 41.12 41.25 3hrz n ASP 256 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hrz n SER 257 N -1.27 0.40 -4.68 -2.24 3.41 0.84 -4.91 113.62 105.17 3hrz n SER 257 Ca 0.11 0.01 -0.47 0.00 -0.26 0.00 0.00 58.87 58.26 3hrz n SER 257 Cb 0.17 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 3hrz n SER 257 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3hrz n LEU 258 N -1.59 3.43 -3.98 1.04 7.94 -0.98 -4.56 117.00 118.29 3hrz n LEU 258 Ca 0.06 1.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.83 3hrz n LEU 258 Cb 0.35 -1.40 -0.13 0.00 0.53 0.00 0.00 43.42 42.77 3hrz n LEU 258 CO 0.33 -0.09 -0.39 0.28 -1.11 0.00 0.00 177.39 176.42 3hrz s THR 259 N 3.23 0.32 -0.18 1.96 -1.32 0.05 -4.97 115.64 114.73 3hrz s THR 259 Ca 0.88 -0.62 -0.02 0.00 -1.21 0.00 0.00 61.69 60.73 3hrz s THR 259 Cb -0.66 -0.36 -0.01 0.00 -1.51 0.00 0.00 72.50 69.96 3hrz s THR 259 CO 0.47 -0.20 -0.09 -0.60 -2.21 0.00 0.00 174.62 171.99 3hrz s ARG 260 N -0.87 3.37 0.03 7.08 3.52 -1.26 -0.43 118.95 130.39 3hrz s ARG 260 Ca -0.06 -0.66 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 3hrz s ARG 260 Cb -0.06 -2.82 -0.02 0.00 -1.56 0.00 0.00 34.95 30.50 3hrz s ARG 260 CO -0.00 -0.00 -0.07 0.96 -0.81 0.00 0.00 175.30 175.38 3hrz s ILE 261 N 0.93 0.51 0.35 4.11 -4.36 0.63 -4.97 121.20 118.40 3hrz s ILE 261 Ca -0.02 -0.76 -0.27 0.00 -0.26 0.00 0.00 60.65 59.34 3hrz s ILE 261 Cb -0.15 -0.52 -0.09 0.00 1.25 0.00 0.00 42.46 42.95 3hrz s ILE 261 CO -0.00 -0.19 1.21 -2.84 0.24 0.00 0.00 174.94 173.36 3hrz s PRO 262 N -1.03 4.28 -0.42 0.37 0.02 -1.26 -0.28 135.00 136.68 3hrz s PRO 262 Ca -0.05 1.98 -0.07 0.00 0.02 0.00 0.00 61.00 62.88 3hrz s PRO 262 Cb -0.07 -2.93 0.10 0.00 0.02 0.00 0.00 34.50 31.62 3hrz s PRO 262 CO 0.00 -0.17 0.24 0.42 -0.33 0.00 0.00 177.00 177.17 3hrz s ILE 263 N -1.25 3.83 -0.16 2.83 -1.09 0.12 -4.49 121.20 120.99 3hrz s ILE 263 Ca 0.51 -1.70 -0.02 0.00 -2.23 0.00 0.00 60.65 57.22 3hrz s ILE 263 Cb -0.35 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.06 3hrz s ILE 263 CO 0.45 -0.60 -0.10 -0.63 -1.23 0.00 0.00 174.94 172.83 3hrz s ILE 264 N 1.31 3.21 -1.52 2.92 -1.09 -0.79 -0.55 121.20 124.69 3hrz s ILE 264 Ca 0.05 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 57.86 3hrz s ILE 264 Cb -0.23 -2.39 0.01 0.00 -1.58 0.00 0.00 42.46 38.27 3hrz s ILE 264 CO -0.01 0.49 0.21 0.47 -1.23 0.00 0.00 174.94 174.87 3hrz n ASP 265 N 3.90 -5.33 0.00 3.58 9.92 -1.26 -1.61 116.55 125.76 3hrz n ASP 265 Ca -0.18 -0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.00 3hrz n ASP 265 Cb 0.52 -4.41 0.00 0.00 -0.64 0.00 0.00 41.12 36.59 3hrz n ASP 265 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hrz n GLY 266 N -1.12 1.46 3.38 0.44 0.00 0.47 -4.77 105.19 105.06 3hrz n GLY 266 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3hrz n GLY 266 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hrz s ASP 267 N -3.19 3.31 0.23 1.61 1.11 -0.63 0.09 116.67 119.19 3hrz s ASP 267 Ca 0.00 -0.70 -0.22 0.00 0.18 0.00 0.00 52.55 51.81 3hrz s ASP 267 Cb 0.00 -0.25 0.04 0.00 1.07 0.00 0.00 42.92 43.78 3hrz s ASP 267 CO 0.00 0.20 0.68 -0.83 1.18 0.00 0.00 175.17 176.40 3hrz s GLY 268 N -1.86 -0.31 -0.03 0.21 0.00 -0.63 -1.88 107.32 102.83 3hrz s GLY 268 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.89 3hrz s GLY 268 CO 0.05 0.02 0.04 1.25 0.00 0.00 0.00 173.10 174.46 3hrz s LYS 269 N -3.83 -0.01 0.04 2.90 2.20 -1.26 -0.11 119.74 119.67 3hrz s LYS 269 Ca 0.07 0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.96 3hrz s LYS 269 Cb -0.04 -0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 35.87 3hrz s LYS 269 CO -0.01 -0.22 -0.06 0.00 -0.36 0.00 0.00 175.35 174.69 3hrz s ALA 270 N 1.46 3.06 -0.06 3.13 0.00 -0.52 -4.98 121.76 123.84 3hrz s ALA 270 Ca -0.04 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.87 3hrz s ALA 270 Cb -0.13 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.90 3hrz s ALA 270 CO -0.03 0.64 -0.15 0.99 0.00 0.00 0.00 175.76 177.21 3hrz s THR 271 N -1.10 1.32 -0.36 0.00 2.01 -1.26 -1.18 115.64 115.07 3hrz s THR 271 Ca 0.19 -0.61 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 3hrz s THR 271 Cb -0.11 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 3hrz s THR 271 CO 0.11 0.39 0.31 -0.22 -0.69 0.00 0.00 174.62 174.52 3hrz s LEU 272 N 0.44 4.60 0.23 4.42 2.96 0.40 -5.00 118.68 126.72 3hrz s LEU 272 Ca -0.12 -0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 53.05 3hrz s LEU 272 Cb -0.15 -2.23 -0.09 0.00 0.50 0.00 0.00 46.19 44.22 3hrz s LEU 272 CO 0.04 -0.33 1.14 -0.54 -1.32 0.00 0.00 176.35 175.33 3hrz s LYS 273 N 1.86 4.58 0.21 1.98 -0.14 -1.26 -1.74 119.74 125.23 3hrz s LYS 273 Ca 0.08 1.82 -0.09 0.00 -1.36 0.00 0.00 55.97 56.43 3hrz s LYS 273 Cb -0.17 -3.22 0.25 0.00 -1.68 0.00 0.00 37.83 33.01 3hrz s LYS 273 CO 0.11 0.08 1.82 -0.09 -0.76 0.00 0.00 175.35 176.51 3hrz h ARG 274 N 4.51 0.72 -0.65 1.68 9.65 -1.86 -2.01 114.38 126.42 3hrz h ARG 274 Ca -0.46 -0.04 0.11 0.00 -1.10 0.00 0.00 59.98 58.49 3hrz h ARG 274 Cb 1.21 -0.16 -0.08 0.00 -1.39 0.00 0.00 29.97 29.55 3hrz h ARG 274 CO 0.70 0.48 0.22 -0.44 2.80 0.00 0.00 179.97 183.73 3hrz h ASP 275 N 0.74 0.18 -0.44 -3.80 3.32 -1.92 -0.12 116.42 114.38 3hrz h ASP 275 Ca 0.31 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 3hrz h ASP 275 Cb 0.17 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3hrz h ASP 275 CO -0.18 0.09 0.14 0.74 -1.72 0.00 0.00 179.24 178.32 3hrz h THR 276 N 0.38 1.22 -0.36 0.35 2.02 -1.81 -2.15 112.91 112.55 3hrz h THR 276 Ca 0.34 -0.72 0.05 0.00 0.77 0.00 0.00 66.41 66.85 3hrz h THR 276 Cb 0.47 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3hrz h THR 276 CO -0.36 0.26 0.11 0.15 0.37 0.00 0.00 175.52 176.05 3hrz h PHE 277 N 0.57 0.20 -0.67 3.16 3.57 -0.66 -3.00 116.94 120.10 3hrz h PHE 277 Ca 0.14 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 3hrz h PHE 277 Cb 0.26 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3hrz h PHE 277 CO 0.01 0.07 0.11 0.00 -2.23 0.00 0.00 178.31 176.28 3hrz h ARG 278 N 0.26 1.10 -0.51 1.11 3.08 -0.88 0.17 114.38 118.71 3hrz h ARG 278 Ca 0.17 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3hrz h ARG 278 Cb 0.16 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3hrz h ARG 278 CO -0.18 1.01 0.34 0.77 -1.07 0.00 0.00 179.97 180.83 3hrz h SER 279 N 1.03 0.50 0.23 7.04 0.02 -1.31 -1.23 113.55 119.83 3hrz h SER 279 Ca 0.20 -0.01 -0.35 0.00 -0.84 0.00 0.00 61.79 60.80 3hrz h SER 279 Cb 0.43 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3hrz h SER 279 CO 0.01 0.35 -1.80 -0.09 -1.14 0.00 0.00 176.83 174.16 3hrz h ARG 280 N 0.58 0.31 -2.17 3.45 9.65 -1.32 -3.40 114.38 121.48 3hrz h ARG 280 Ca 0.21 -0.53 -0.59 0.00 -1.10 0.00 0.00 59.98 57.96 3hrz h ARG 280 Cb 0.09 0.20 -0.41 0.00 -1.39 0.00 0.00 29.97 28.46 3hrz h ARG 280 CO -0.05 1.21 -0.68 1.19 2.80 0.00 0.00 179.97 184.43 3hrz n PHE 281 N -3.50 2.93 0.10 2.20 3.72 0.56 -4.92 117.46 118.55 3hrz n PHE 281 Ca -0.25 -4.05 -0.02 0.00 -0.05 0.00 0.00 57.45 53.07 3hrz n PHE 281 Cb 1.06 -0.52 0.21 0.00 -0.94 0.00 0.00 39.48 39.29 3hrz n PHE 281 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3hrz h PRO 282 N 4.16 0.21 -5.57 -1.08 0.11 -1.46 -3.42 132.00 124.94 3hrz h PRO 282 Ca 0.18 -0.11 -0.64 0.00 0.11 0.00 0.00 66.00 65.54 3hrz h PRO 282 Cb 0.70 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.67 3hrz h PRO 282 CO 0.77 0.63 0.27 1.21 -0.21 0.00 0.00 178.00 180.67 3hrz s ASN 283 N -6.88 6.35 0.49 -2.05 3.84 -1.26 -4.95 114.94 110.48 3hrz s ASN 283 Ca -0.04 -0.31 0.18 0.00 0.21 0.00 0.00 52.86 52.90 3hrz s ASN 283 Cb 0.13 -2.36 1.21 0.00 -0.55 0.00 0.00 41.25 39.68 3hrz s ASN 283 CO 0.77 -0.90 2.03 -0.07 -2.79 0.00 0.00 177.10 176.14 3hrz h LEU 284 N 10.03 0.15 -0.83 3.21 4.07 -1.95 -2.55 115.31 127.45 3hrz h LEU 284 Ca -0.25 0.00 0.10 0.00 0.08 0.00 0.00 57.88 57.81 3hrz h LEU 284 Cb 1.09 -0.03 -0.08 0.00 1.08 0.00 0.00 40.66 42.72 3hrz h LEU 284 CO 0.95 0.09 0.47 0.78 -1.08 0.00 0.00 178.44 179.65 3hrz h ASN 285 N 0.17 0.65 0.25 -0.43 2.35 -1.97 -1.40 115.58 115.20 3hrz h ASN 285 Ca 0.20 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3hrz h ASN 285 Cb 0.55 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3hrz h ASN 285 CO -0.03 0.36 0.00 -0.08 -1.65 0.00 0.00 177.43 176.03 3hrz h GLU 286 N 0.76 0.00 0.00 0.81 4.81 -1.88 -2.89 114.58 116.20 3hrz h GLU 286 Ca 0.41 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.46 3hrz h GLU 286 Cb 0.41 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3hrz h GLU 286 CO -0.27 0.00 -1.67 1.28 -0.73 0.00 0.00 179.01 177.63 3hrz n LEU 287 N -2.88 0.58 -4.68 1.64 4.77 -0.53 -4.90 117.00 111.00 3hrz n LEU 287 Ca -0.02 0.25 -0.48 0.00 -0.03 0.00 0.00 56.01 55.74 3hrz n LEU 287 Cb 0.12 0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3hrz n LEU 287 CO 0.19 0.18 1.50 0.52 -1.33 0.00 0.00 177.39 178.46 3hrz n VAL 288 N -2.77 0.59 -0.38 4.08 0.31 -1.09 -1.57 118.33 117.50 3hrz n VAL 288 Ca -0.13 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3hrz n VAL 288 Cb 0.85 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 3hrz n VAL 288 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hrz n GLY 289 N 4.42 0.73 3.86 2.92 0.00 -1.26 -5.05 105.19 110.81 3hrz n GLY 289 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 3hrz n GLY 289 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hrz s HIS 290 N -2.53 1.76 0.11 1.61 4.02 -0.61 -4.97 115.29 114.68 3hrz s HIS 290 Ca 0.00 -0.84 0.07 0.00 1.02 0.00 0.00 55.06 55.31 3hrz s HIS 290 Cb 0.00 -1.86 -0.03 0.00 -1.02 0.00 0.00 32.58 29.66 3hrz s HIS 290 CO 0.00 -0.28 -0.17 0.95 1.02 0.00 0.00 174.74 176.26 3hrz s THR 291 N -2.78 1.44 0.20 1.30 -4.23 -1.17 -1.72 115.64 108.67 3hrz s THR 291 Ca 0.29 -1.57 -0.14 0.00 -1.18 0.00 0.00 61.69 59.09 3hrz s THR 291 Cb -0.01 -1.44 -0.07 0.00 1.34 0.00 0.00 72.50 72.31 3hrz s THR 291 CO 0.18 -0.24 0.59 -0.22 -0.54 0.00 0.00 174.62 174.38 3hrz s LEU 292 N -2.11 4.26 0.09 4.79 2.96 0.71 -0.65 118.68 128.74 3hrz s LEU 292 Ca 0.06 1.10 0.03 0.00 -0.22 0.00 0.00 54.13 55.09 3hrz s LEU 292 Cb -0.08 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 3hrz s LEU 292 CO 0.04 0.01 -0.08 -0.72 -1.32 0.00 0.00 176.35 174.28 3hrz s TYR 293 N -1.62 0.92 -0.14 5.38 -0.85 -0.47 -2.87 117.35 117.71 3hrz s TYR 293 Ca 0.43 -0.75 -0.00 0.00 -0.52 0.00 0.00 57.07 56.22 3hrz s TYR 293 Cb -0.14 -0.52 0.03 0.00 0.38 0.00 0.00 41.96 41.71 3hrz s TYR 293 CO 0.20 -0.08 -0.07 0.00 -1.52 0.00 0.00 175.55 174.08 3hrz s ALA 294 N -2.86 1.39 -0.23 9.51 0.00 0.17 -1.74 121.76 128.00 3hrz s ALA 294 Ca 0.06 -0.67 -0.26 0.00 0.00 0.00 0.00 51.96 51.10 3hrz s ALA 294 Cb -0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 3hrz s ALA 294 CO -0.02 -0.57 0.90 0.45 0.00 0.00 0.00 175.76 176.52 3hrz s SER 295 N 1.68 6.94 -0.20 0.00 0.15 0.13 -0.45 113.70 121.95 3hrz s SER 295 Ca 0.03 1.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.85 3hrz s SER 295 Cb -0.14 -2.47 0.01 0.00 -1.71 0.00 0.00 66.02 61.71 3hrz s SER 295 CO -0.08 -0.55 -0.13 -0.69 1.20 0.00 0.00 173.24 172.99 3hrz s VAL 296 N 2.87 2.60 -0.24 4.45 1.01 0.79 -1.51 120.40 130.38 3hrz s VAL 296 Ca 0.38 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3hrz s VAL 296 Cb -0.15 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.10 3hrz s VAL 296 CO 0.08 0.45 -0.12 -0.89 0.00 0.00 0.00 175.10 174.62 3hrz s THR 297 N 1.36 2.38 -0.14 3.92 2.01 -0.73 -0.45 115.64 123.98 3hrz s THR 297 Ca 0.04 -1.27 -0.04 0.00 0.31 0.00 0.00 61.69 60.74 3hrz s THR 297 Cb -0.14 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 3hrz s THR 297 CO -0.09 0.18 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.32 3hrz s VAL 298 N 1.22 4.10 -0.05 3.82 1.01 0.41 -0.82 120.40 130.09 3hrz s VAL 298 Ca -0.02 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3hrz s VAL 298 Cb -0.17 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3hrz s VAL 298 CO -0.07 0.52 -0.15 -0.04 0.00 0.00 0.00 175.10 175.36 3hrz s MET 299 N 0.03 2.50 0.79 2.72 -1.94 0.25 -0.72 119.30 122.92 3hrz s MET 299 Ca 0.01 -0.72 -0.11 0.00 -1.71 0.00 0.00 55.69 53.17 3hrz s MET 299 Cb -0.13 -2.35 0.07 0.00 2.01 0.00 0.00 34.83 34.42 3hrz s MET 299 CO 0.02 0.60 1.11 0.95 -0.01 0.00 0.00 175.02 177.69 3hrz s THR 300 N -0.68 3.06 0.42 2.05 -4.23 -0.37 -1.38 115.64 114.50 3hrz s THR 300 Ca 0.10 0.36 0.08 0.00 -1.18 0.00 0.00 61.69 61.06 3hrz s THR 300 Cb -0.11 -2.77 0.25 0.00 1.34 0.00 0.00 72.50 71.21 3hrz s THR 300 CO 0.01 -0.43 2.05 1.05 -0.54 0.00 0.00 174.62 176.75 3hrz h GLU 301 N -1.13 0.43 -0.00 3.99 -0.00 -0.96 -1.38 114.58 115.52 3hrz h GLU 301 Ca -0.44 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 58.89 3hrz h GLU 301 Cb 1.24 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.90 3hrz h GLU 301 CO 0.50 0.32 -0.09 -1.13 -0.00 0.00 0.00 179.01 178.61 3hrz n SER 302 N -4.45 0.26 -0.06 3.06 3.41 -1.26 -4.92 113.62 109.66 3hrz n SER 302 Ca 0.02 -0.27 -0.01 0.00 -0.26 0.00 0.00 58.87 58.34 3hrz n SER 302 Cb 0.10 -0.17 -0.00 0.00 -0.26 0.00 0.00 64.21 63.87 3hrz n SER 302 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hrz n GLY 303 N 1.33 0.43 0.20 5.00 0.00 -0.52 -4.90 105.19 106.73 3hrz n GLY 303 Ca 0.13 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3hrz n GLY 303 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hrz h SER 304 N 0.00 0.00 -5.01 1.61 4.64 -1.91 -3.47 113.55 109.41 3hrz h SER 304 Ca -0.02 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 3hrz h SER 304 Cb 0.27 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.19 3hrz h SER 304 CO 0.02 0.00 0.05 -0.62 -0.87 0.00 0.00 176.83 175.41 3hrz s ASP 305 N -5.55 -0.47 -0.02 4.97 2.15 -1.26 -5.04 116.67 111.44 3hrz s ASP 305 Ca 0.06 0.30 -0.03 0.00 0.43 0.00 0.00 52.55 53.31 3hrz s ASP 305 Cb 0.08 0.49 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 3hrz s ASP 305 CO 0.60 -0.67 0.08 -0.32 -0.17 0.00 0.00 175.17 174.69 3hrz s MET 306 N -2.03 0.19 -0.04 4.34 -2.45 -1.26 -1.24 119.30 116.81 3hrz s MET 306 Ca -0.08 -0.06 0.02 0.00 -1.25 0.00 0.00 55.69 54.33 3hrz s MET 306 Cb -0.01 0.08 0.01 0.00 1.25 0.00 0.00 34.83 36.17 3hrz s MET 306 CO 0.02 -0.03 -0.09 0.08 1.05 0.00 0.00 175.02 176.04 3hrz s VAL 307 N -0.39 0.84 -0.22 10.11 1.01 0.10 -4.93 120.40 126.92 3hrz s VAL 307 Ca -0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 3hrz s VAL 307 Cb -0.03 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 3hrz s VAL 307 CO 0.00 0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 174.64 3hrz s VAL 308 N 0.57 3.22 0.36 2.92 1.01 -1.26 -0.45 120.40 126.78 3hrz s VAL 308 Ca -0.10 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.33 3hrz s VAL 308 Cb -0.13 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3hrz s VAL 308 CO 0.02 0.38 0.22 0.42 0.00 0.00 0.00 175.10 176.14 3hrz s THR 309 N 1.44 0.20 -0.06 3.92 -4.23 0.40 -5.01 115.64 112.31 3hrz s THR 309 Ca 0.05 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3hrz s THR 309 Cb -0.15 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.30 3hrz s THR 309 CO -0.04 0.00 0.13 -0.70 -0.54 0.00 0.00 174.62 173.47 3hrz s GLU 310 N -3.54 0.12 -0.33 3.99 2.12 -1.26 -0.15 118.70 119.64 3hrz s GLU 310 Ca 0.34 0.28 -0.19 0.00 0.36 0.00 0.00 54.97 55.75 3hrz s GLU 310 Cb 0.02 -0.06 -0.00 0.00 0.26 0.00 0.00 34.13 34.34 3hrz s GLU 310 CO 0.23 -0.10 0.58 -1.14 -0.54 0.00 0.00 175.26 174.29 3hrz s GLN 311 N 0.66 3.75 0.33 4.30 2.00 0.40 -4.94 119.66 126.15 3hrz s GLN 311 Ca -0.05 0.06 0.01 0.00 -2.00 0.00 0.00 55.36 53.38 3hrz s GLN 311 Cb -0.07 -3.78 -0.00 0.00 0.80 0.00 0.00 33.01 29.97 3hrz s GLN 311 CO -0.03 -0.63 0.03 -1.13 -0.50 0.00 0.00 175.29 173.02 3hrz n SER 312 N 5.86 2.48 -1.65 6.67 3.41 -1.26 -0.65 113.62 128.48 3hrz n SER 312 Ca -0.03 -2.52 -0.16 0.00 -0.26 0.00 0.00 58.87 55.90 3hrz n SER 312 Cb 0.49 0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.78 3hrz n SER 312 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hrz n GLY 313 N 0.66 0.36 3.50 5.00 0.00 -1.25 -4.93 105.19 108.54 3hrz n GLY 313 Ca -0.12 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3hrz n GLY 313 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrz s ILE 314 N -2.74 4.22 0.31 -0.61 -1.09 -1.14 -4.90 121.20 115.26 3hrz s ILE 314 Ca 0.00 -0.76 -0.29 0.00 -2.23 0.00 0.00 60.65 57.37 3hrz s ILE 314 Cb 0.00 -4.88 -0.10 0.00 -1.58 0.00 0.00 42.46 35.90 3hrz s ILE 314 CO 0.00 -1.70 1.41 -1.00 -1.23 0.00 0.00 174.94 172.43 3hrz s HIS 315 N 4.20 2.91 -0.46 3.97 3.76 -1.25 -0.20 115.29 128.21 3hrz s HIS 315 Ca 0.35 1.18 -0.18 0.00 -0.15 0.00 0.00 55.06 56.26 3hrz s HIS 315 Cb -0.06 -3.83 0.04 0.00 1.11 0.00 0.00 32.58 29.84 3hrz s HIS 315 CO -0.02 -2.52 0.50 0.42 -0.85 0.00 0.00 174.74 172.27 3hrz s ILE 316 N -0.65 5.03 0.24 0.60 1.01 -0.70 -1.21 121.20 125.52 3hrz s ILE 316 Ca 0.54 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.71 3hrz s ILE 316 Cb -0.43 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 3hrz s ILE 316 CO 0.51 -0.58 0.10 0.68 0.00 0.00 0.00 174.94 175.66 3hrz s VAL 317 N 2.25 0.44 -1.52 2.92 -7.23 -0.59 -4.37 120.40 112.29 3hrz s VAL 317 Ca 0.12 -2.00 0.20 0.00 -1.81 0.00 0.00 61.98 58.50 3hrz s VAL 317 Cb -0.19 -2.59 -0.08 0.00 0.56 0.00 0.00 36.38 34.08 3hrz s VAL 317 CO 0.12 -0.02 0.95 0.00 -0.31 0.00 0.00 175.10 175.84 3hrz n ALA 318 N -0.42 3.85 -3.16 1.32 0.00 -1.26 -0.33 120.51 120.51 3hrz n ALA 318 Ca 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 3hrz n ALA 318 Cb 0.66 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 19.30 3hrz n ALA 318 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hrz s SER 319 N -2.50 -0.10 0.12 0.00 0.15 -1.26 -4.48 113.70 105.63 3hrz s SER 319 Ca 0.13 -0.06 0.25 0.00 0.70 0.00 0.00 55.95 56.98 3hrz s SER 319 Cb 0.16 0.27 0.95 0.00 -1.71 0.00 0.00 66.02 65.70 3hrz s SER 319 CO 0.63 -0.43 1.77 -2.65 1.20 0.00 0.00 173.24 173.76 3hrz n PRO 320 N 1.28 0.13 -4.49 5.44 -0.02 -1.26 -4.89 135.00 131.19 3hrz n PRO 320 Ca -0.22 0.18 -0.24 0.00 -2.02 0.00 0.00 63.50 61.20 3hrz n PRO 320 Cb 0.56 -1.67 -0.10 0.00 -0.02 0.00 0.00 33.50 32.26 3hrz n PRO 320 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3hrz s TYR 321 N -3.09 2.23 -0.03 6.00 2.02 -1.26 -3.93 117.35 119.29 3hrz s TYR 321 Ca 0.10 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 3hrz s TYR 321 Cb 0.14 -1.20 -0.00 0.00 -0.40 0.00 0.00 41.96 40.49 3hrz s TYR 321 CO 0.50 0.52 -0.12 -0.65 -1.57 0.00 0.00 175.55 174.23 3hrz s GLN 322 N -3.62 1.19 -0.18 -0.62 -0.21 0.54 -4.68 119.66 112.07 3hrz s GLN 322 Ca 0.31 -0.42 -0.09 0.00 0.02 0.00 0.00 55.36 55.17 3hrz s GLN 322 Cb 0.01 -1.09 -0.05 0.00 1.00 0.00 0.00 33.01 32.88 3hrz s GLN 322 CO 0.14 0.19 0.13 0.42 -2.12 0.00 0.00 175.29 174.05 3hrz s ILE 323 N 0.02 5.39 0.07 1.08 1.01 -1.26 -1.06 121.20 126.44 3hrz s ILE 323 Ca -0.01 0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.90 3hrz s ILE 323 Cb -0.08 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3hrz s ILE 323 CO 0.01 0.48 -0.23 -1.00 0.00 0.00 0.00 174.94 174.19 3hrz s HIS 324 N 0.08 2.03 -0.63 3.97 3.76 0.15 -4.87 115.29 119.78 3hrz s HIS 324 Ca 0.09 -0.39 0.14 0.00 -0.15 0.00 0.00 55.06 54.75 3hrz s HIS 324 Cb -0.11 -1.18 0.47 0.00 1.11 0.00 0.00 32.58 32.88 3hrz s HIS 324 CO -0.01 0.16 1.39 1.19 -0.85 0.00 0.00 174.74 176.62 3hrz n PHE 325 N 1.56 0.85 0.33 1.40 3.72 -1.26 -2.28 117.46 121.78 3hrz n PHE 325 Ca -0.18 -0.68 0.09 0.00 -0.05 0.00 0.00 57.45 56.63 3hrz n PHE 325 Cb 0.53 -0.19 0.39 0.00 -0.94 0.00 0.00 39.48 39.27 3hrz n PHE 325 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3hrz n THR 326 N 0.17 1.07 -0.38 4.37 -2.24 -1.26 -1.98 114.28 114.03 3hrz n THR 326 Ca 0.18 0.36 0.08 0.00 -2.27 0.00 0.00 64.05 62.40 3hrz n THR 326 Cb 0.71 -1.26 0.22 0.00 -2.10 0.00 0.00 70.33 67.90 3hrz n THR 326 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hrz n LYS 327 N -1.93 2.97 -5.10 -0.78 5.02 -1.26 -4.49 118.16 112.60 3hrz n LYS 327 Ca 0.02 -2.37 -0.28 0.00 -2.02 0.00 0.00 58.31 53.65 3hrz n LYS 327 Cb 0.15 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.52 3hrz n LYS 327 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3hrz s THR 328 N -1.37 1.77 0.56 -0.18 -1.32 -0.84 -4.66 115.64 109.61 3hrz s THR 328 Ca 0.34 -0.97 -0.21 0.00 -1.21 0.00 0.00 61.69 59.64 3hrz s THR 328 Cb 0.20 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.68 3hrz s THR 328 CO 0.19 0.49 1.35 -2.84 -2.21 0.00 0.00 174.62 171.60 3hrz s PRO 329 N -0.55 3.06 -0.01 7.08 0.02 -1.26 -4.60 135.00 138.74 3hrz s PRO 329 Ca 0.09 2.22 0.18 0.00 0.02 0.00 0.00 61.00 63.51 3hrz s PRO 329 Cb -0.09 -2.20 0.54 0.00 0.02 0.00 0.00 34.50 32.77 3hrz s PRO 329 CO -0.01 -1.25 1.45 1.63 -0.33 0.00 0.00 177.00 178.49 3hrz n LYS 330 N -1.15 2.50 -4.19 5.54 4.01 -1.26 -4.89 118.16 118.72 3hrz n LYS 330 Ca 0.11 -2.19 -0.19 0.00 -0.51 0.00 0.00 58.31 55.53 3hrz n LYS 330 Cb 0.45 -1.51 -0.12 0.00 -0.51 0.00 0.00 35.03 33.35 3hrz n LYS 330 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3hrz s TYR 331 N -1.26 1.26 0.18 2.13 2.02 -1.26 -0.84 117.35 119.57 3hrz s TYR 331 Ca 0.41 -0.45 0.03 0.00 -0.37 0.00 0.00 57.07 56.69 3hrz s TYR 331 Cb 0.22 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 41.02 3hrz s TYR 331 CO 0.27 0.07 -0.02 -0.59 -1.57 0.00 0.00 175.55 173.70 3hrz s PHE 332 N -1.23 1.31 -0.37 2.71 -0.12 -0.44 -4.85 117.98 114.99 3hrz s PHE 332 Ca -0.01 -0.94 -0.08 0.00 -0.05 0.00 0.00 56.93 55.85 3hrz s PHE 332 Cb -0.10 -0.74 0.05 0.00 -0.63 0.00 0.00 43.02 41.61 3hrz s PHE 332 CO 0.02 -0.11 0.17 0.15 -0.05 0.00 0.00 175.22 175.40 3hrz s LYS 333 N -3.87 2.61 0.21 1.99 3.01 -1.26 -1.42 119.74 121.01 3hrz s LYS 333 Ca 0.23 -1.27 -0.31 0.00 -1.01 0.00 0.00 55.97 53.61 3hrz s LYS 333 Cb 0.05 -3.59 -0.15 0.00 -1.01 0.00 0.00 37.83 33.13 3hrz s LYS 333 CO 0.04 -0.77 1.04 -2.30 0.51 0.00 0.00 175.35 173.88 3hrz n PRO 334 N 4.86 1.07 -0.99 -1.68 -0.02 -1.26 -1.53 135.00 135.44 3hrz n PRO 334 Ca -0.11 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3hrz n PRO 334 Cb 0.44 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3hrz n PRO 334 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hrz n GLY 335 N 1.74 0.75 3.28 -1.23 0.00 -1.01 -4.86 105.19 103.86 3hrz n GLY 335 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3hrz n GLY 335 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hrz s MET 336 N -0.01 1.16 0.35 1.61 -1.94 -0.58 -4.93 119.30 114.97 3hrz s MET 336 Ca 0.00 -1.14 -0.28 0.00 -1.71 0.00 0.00 55.69 52.56 3hrz s MET 336 Cb 0.00 -1.42 -0.10 0.00 2.01 0.00 0.00 34.83 35.32 3hrz s MET 336 CO 0.00 0.33 1.30 -2.14 -0.01 0.00 0.00 175.02 174.51 3hrz s PRO 337 N -1.82 4.25 -0.21 2.03 0.02 -1.26 -3.86 135.00 134.14 3hrz s PRO 337 Ca 0.07 2.20 -0.08 0.00 0.02 0.00 0.00 61.00 63.21 3hrz s PRO 337 Cb -0.10 -2.98 -0.04 0.00 0.02 0.00 0.00 34.50 31.40 3hrz s PRO 337 CO 0.04 -0.27 0.07 -0.47 -0.33 0.00 0.00 177.00 176.04 3hrz s TYR 338 N -1.18 3.20 -0.38 6.54 5.04 0.94 -4.90 117.35 126.61 3hrz s TYR 338 Ca 0.51 -0.05 -0.23 0.00 -2.44 0.00 0.00 57.07 54.86 3hrz s TYR 338 Cb -0.39 -2.14 0.01 0.00 0.35 0.00 0.00 41.96 39.79 3hrz s TYR 338 CO 0.52 -0.00 0.76 -1.21 -1.34 0.00 0.00 175.55 174.27 3hrz s GLU 339 N 0.79 3.67 -0.39 4.97 2.02 -1.26 -0.28 118.70 128.22 3hrz s GLU 339 Ca 0.04 0.19 -0.13 0.00 0.02 0.00 0.00 54.97 55.08 3hrz s GLU 339 Cb -0.13 -3.83 0.02 0.00 0.10 0.00 0.00 34.13 30.28 3hrz s GLU 339 CO 0.02 -0.88 0.26 -1.17 0.02 0.00 0.00 175.26 173.51 3hrz s LEU 340 N 3.06 4.88 -0.25 1.80 2.96 0.13 -4.69 118.68 126.57 3hrz s LEU 340 Ca 0.30 -0.86 -0.17 0.00 -0.22 0.00 0.00 54.13 53.17 3hrz s LEU 340 Cb -0.13 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 3hrz s LEU 340 CO 0.18 -0.40 0.48 -0.89 -1.32 0.00 0.00 176.35 174.40 3hrz s THR 341 N 1.64 5.10 -0.16 3.68 2.01 -1.26 -0.20 115.64 126.45 3hrz s THR 341 Ca 0.04 0.82 -0.06 0.00 0.31 0.00 0.00 61.69 62.80 3hrz s THR 341 Cb -0.19 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3hrz s THR 341 CO 0.09 0.12 0.06 -0.69 -0.69 0.00 0.00 174.62 173.50 3hrz s VAL 342 N 2.15 4.78 -0.23 3.82 1.01 -0.23 -4.23 120.40 127.47 3hrz s VAL 342 Ca 0.20 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3hrz s VAL 342 Cb -0.16 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.14 3hrz s VAL 342 CO 0.09 0.51 -0.13 -0.47 0.00 0.00 0.00 175.10 175.10 3hrz s TYR 343 N -0.04 3.03 -0.14 5.22 5.04 -0.96 -1.29 117.35 128.20 3hrz s TYR 343 Ca 0.06 -1.85 -0.03 0.00 -2.44 0.00 0.00 57.07 52.81 3hrz s TYR 343 Cb -0.12 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.19 3hrz s TYR 343 CO 0.01 -0.81 -0.04 0.08 -1.34 0.00 0.00 175.55 173.45 3hrz s VAL 344 N 1.24 3.90 0.29 3.14 1.01 -0.23 0.32 120.40 130.08 3hrz s VAL 344 Ca -0.01 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.68 3hrz s VAL 344 Cb -0.16 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 3hrz s VAL 344 CO -0.08 0.51 -0.08 0.42 0.00 0.00 0.00 175.10 175.88 3hrz s THR 345 N 0.20 1.82 0.89 3.92 -4.23 -0.22 -1.30 115.64 116.71 3hrz s THR 345 Ca -0.02 -2.16 -0.12 0.00 -1.18 0.00 0.00 61.69 58.21 3hrz s THR 345 Cb -0.14 -2.47 0.12 0.00 1.34 0.00 0.00 72.50 71.35 3hrz s THR 345 CO 0.03 -0.29 1.13 0.20 -0.54 0.00 0.00 174.62 175.15 3hrz s ASN 346 N -3.48 3.73 0.52 3.99 0.01 -0.10 -0.34 114.94 119.27 3hrz s ASN 346 Ca 0.30 1.02 0.35 0.00 -0.71 0.00 0.00 52.86 53.82 3hrz s ASN 346 Cb 0.03 -1.63 1.80 0.00 0.41 0.00 0.00 41.25 41.86 3hrz s ASN 346 CO 0.13 -2.42 2.06 -0.65 -1.51 0.00 0.00 177.10 174.71 3hrz h PRO 347 N -1.41 0.00 -0.01 -0.60 0.11 -1.90 0.13 132.00 128.32 3hrz h PRO 347 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hrz h PRO 347 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hrz h PRO 347 CO 0.62 0.00 -0.26 -0.40 -0.21 0.00 0.00 178.00 177.75 3hrz n ASP 348 N -2.79 1.29 0.00 -2.05 5.75 -1.26 -4.96 116.55 112.54 3hrz n ASP 348 Ca -0.02 -1.09 0.00 0.00 -0.01 0.00 0.00 54.79 53.67 3hrz n ASP 348 Cb 0.11 0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3hrz n ASP 348 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hrz n GLY 349 N 1.33 0.68 3.77 6.12 0.00 0.44 -5.06 105.19 112.48 3hrz n GLY 349 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3hrz n GLY 349 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hrz s SER 350 N -2.99 5.65 0.32 1.61 1.04 -1.26 -4.78 113.70 113.29 3hrz s SER 350 Ca 0.00 2.18 -0.29 0.00 0.48 0.00 0.00 55.95 58.32 3hrz s SER 350 Cb 0.00 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.44 3hrz s SER 350 CO 0.00 -1.27 1.29 -2.84 0.98 0.00 0.00 173.24 171.40 3hrz s PRO 351 N -3.34 4.39 -0.37 4.02 0.02 -1.26 -0.92 135.00 137.53 3hrz s PRO 351 Ca 0.73 2.16 -0.13 0.00 0.02 0.00 0.00 61.00 63.78 3hrz s PRO 351 Cb -0.24 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.20 3hrz s PRO 351 CO 0.28 -0.15 0.26 0.00 -0.33 0.00 0.00 177.00 177.06 3hrz s ALA 352 N -1.05 3.44 0.37 -1.55 0.00 -0.42 -4.69 121.76 117.86 3hrz s ALA 352 Ca 0.49 -1.58 -0.08 0.00 0.00 0.00 0.00 51.96 50.79 3hrz s ALA 352 Cb -0.39 -2.74 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 3hrz s ALA 352 CO 0.51 -1.24 0.70 0.00 0.00 0.00 0.00 175.76 175.72 3hrz s ALA 353 N 1.67 3.45 -1.77 0.00 0.00 -1.26 -4.26 121.76 119.59 3hrz s ALA 353 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3hrz s ALA 353 Cb -0.18 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.38 3hrz s ALA 353 CO 0.09 0.05 0.00 0.72 0.00 0.00 0.00 175.76 176.63 3hrz n HIS 354 N -1.25 -0.70 -3.50 0.00 8.25 -0.12 -4.94 115.22 112.97 3hrz n HIS 354 Ca 0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 3hrz n HIS 354 Cb 0.54 -3.66 -0.09 0.00 1.12 0.00 0.00 29.99 27.90 3hrz n HIS 354 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hrz s VAL 355 N -2.91 5.26 0.33 1.59 1.01 -1.26 -4.79 120.40 119.62 3hrz s VAL 355 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 3hrz s VAL 355 Cb 0.00 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 3hrz s VAL 355 CO 0.00 0.26 1.25 -2.84 0.00 0.00 0.00 175.10 173.77 3hrz s PRO 356 N 1.49 4.39 0.18 2.72 0.02 -1.26 -1.19 135.00 141.35 3hrz s PRO 356 Ca 0.13 2.10 0.06 0.00 0.02 0.00 0.00 61.00 63.31 3hrz s PRO 356 Cb -0.15 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.26 3hrz s PRO 356 CO 0.08 -0.11 -0.13 0.14 -0.33 0.00 0.00 177.00 176.65 3hrz s VAL 357 N -1.16 1.50 -0.16 3.83 -7.23 0.62 -0.07 120.40 117.71 3hrz s VAL 357 Ca 0.48 -2.13 -0.13 0.00 -1.81 0.00 0.00 61.98 58.40 3hrz s VAL 357 Cb -0.37 -1.95 0.05 0.00 0.56 0.00 0.00 36.38 34.67 3hrz s VAL 357 CO 0.49 -0.65 0.42 0.68 -0.31 0.00 0.00 175.10 175.74 3hrz s VAL 358 N -3.08 -0.01 -0.40 1.32 -7.23 -0.55 -2.04 120.40 108.42 3hrz s VAL 358 Ca 0.20 0.03 -0.11 0.00 -1.81 0.00 0.00 61.98 60.29 3hrz s VAL 358 Cb 0.00 -0.60 0.04 0.00 0.56 0.00 0.00 36.38 36.38 3hrz s VAL 358 CO 0.04 0.01 0.24 -0.55 -0.31 0.00 0.00 175.10 174.54 3hrz s SER 359 N 0.67 5.78 0.12 4.85 0.15 -0.15 -2.07 113.70 123.04 3hrz s SER 359 Ca -0.04 -1.12 -0.15 0.00 0.70 0.00 0.00 55.95 55.34 3hrz s SER 359 Cb -0.05 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.19 3hrz s SER 359 CO -0.05 -0.45 1.55 -0.33 1.20 0.00 0.00 173.24 175.17 3hrz h GLU 360 N 8.47 0.67 -0.16 5.44 5.08 -1.83 -1.66 114.58 130.59 3hrz h GLU 360 Ca -0.25 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 57.93 3hrz h GLU 360 Cb 1.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3hrz h GLU 360 CO 0.71 0.79 0.14 0.00 -1.00 0.00 0.00 179.01 179.65 3hrz h ALA 361 N 0.86 1.93 -0.05 3.43 0.00 -1.94 -0.43 119.26 123.06 3hrz h ALA 361 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hrz h ALA 361 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hrz h ALA 361 CO 0.02 -0.22 0.00 1.19 0.00 0.00 0.00 179.25 180.24 3hrz n PHE 362 N -4.12 0.04 -3.97 0.00 3.72 -1.09 -4.98 117.46 107.06 3hrz n PHE 362 Ca 0.01 -0.02 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 3hrz n PHE 362 Cb 0.26 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.81 3hrz n PHE 362 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3hrz n HIS 363 N 1.06 -2.05 -4.18 1.38 8.25 -0.17 -4.97 115.22 114.53 3hrz n HIS 363 Ca 0.11 0.86 -0.34 0.00 -0.26 0.00 0.00 57.72 58.09 3hrz n HIS 363 Cb 0.47 -3.76 -0.10 0.00 1.12 0.00 0.00 29.99 27.72 3hrz n HIS 363 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3hrz s SER 364 N -3.55 5.35 0.09 0.41 0.01 -0.77 -5.00 113.70 110.25 3hrz s SER 364 Ca 0.53 0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.89 3hrz s SER 364 Cb -0.27 -1.83 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 3hrz s SER 364 CO 0.86 0.22 -0.13 -0.04 0.41 0.00 0.00 173.24 174.55 3hrz s MET 365 N 0.09 0.88 0.18 12.44 -1.94 -1.26 -0.98 119.30 128.70 3hrz s MET 365 Ca 0.03 -1.07 -0.24 0.00 -1.71 0.00 0.00 55.69 52.70 3hrz s MET 365 Cb -0.13 -0.78 0.05 0.00 2.01 0.00 0.00 34.83 35.99 3hrz s MET 365 CO 0.01 0.16 0.87 0.20 -0.01 0.00 0.00 175.02 176.26 3hrz s GLY 366 N -2.08 -0.22 -0.04 -0.03 0.00 -0.86 -4.95 107.32 99.14 3hrz s GLY 366 Ca 0.02 0.07 0.04 0.00 0.00 0.00 0.00 44.72 44.85 3hrz s GLY 366 CO 0.02 0.00 -0.14 -0.51 0.00 0.00 0.00 173.10 172.47 3hrz s THR 367 N -3.47 1.21 0.54 0.90 -4.23 -1.26 -0.28 115.64 109.05 3hrz s THR 367 Ca 0.11 -0.60 -0.20 0.00 -1.18 0.00 0.00 61.69 59.82 3hrz s THR 367 Cb -0.03 -1.05 -0.05 0.00 1.34 0.00 0.00 72.50 72.71 3hrz s THR 367 CO 0.02 0.36 1.20 0.42 -0.54 0.00 0.00 174.62 176.08 3hrz s THR 368 N 0.06 2.79 0.51 3.99 -4.23 -0.34 -4.70 115.64 113.73 3hrz s THR 368 Ca -0.03 0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 61.00 3hrz s THR 368 Cb -0.10 -3.24 0.10 0.00 1.34 0.00 0.00 72.50 70.60 3hrz s THR 368 CO 0.01 -0.07 0.70 0.18 -0.54 0.00 0.00 174.62 174.90 3hrz n LEU 369 N -1.16 0.00 0.27 4.79 4.77 -0.23 -0.95 117.00 124.49 3hrz n LEU 369 Ca 0.11 -1.37 0.18 0.00 -0.03 0.00 0.00 56.01 54.90 3hrz n LEU 369 Cb 0.49 -0.46 0.92 0.00 -2.33 0.00 0.00 43.42 42.04 3hrz n LEU 369 CO 0.46 -0.86 1.15 0.77 -1.33 0.00 0.00 177.39 177.58 3hrz h SER 370 N -0.49 0.00 -0.33 -1.43 4.64 -1.92 0.50 113.55 114.52 3hrz h SER 370 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3hrz h SER 370 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3hrz h SER 370 CO 0.24 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.30 3hrz n ASP 371 N -3.35 2.04 0.00 4.97 5.75 -1.26 -4.70 116.55 120.00 3hrz n ASP 371 Ca -0.00 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3hrz n ASP 371 Cb 0.29 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3hrz n ASP 371 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hrz n GLY 372 N 1.15 0.68 3.69 6.12 0.00 0.17 -4.82 105.19 112.18 3hrz n GLY 372 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3hrz n GLY 372 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hrz s THR 373 N -2.76 4.04 -0.05 2.61 -4.23 -1.26 -1.07 115.64 112.94 3hrz s THR 373 Ca 0.00 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 3hrz s THR 373 Cb 0.00 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.94 3hrz s THR 373 CO 0.00 0.12 -0.02 0.00 -0.54 0.00 0.00 174.62 174.18 3hrz s ALA 374 N -1.31 0.56 -0.20 3.99 0.00 -0.41 -1.07 121.76 123.31 3hrz s ALA 374 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 3hrz s ALA 374 Cb -0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 3hrz s ALA 374 CO 0.18 -0.15 0.53 0.21 0.00 0.00 0.00 175.76 176.54 3hrz s LYS 375 N 1.22 4.19 -0.08 0.00 2.20 -1.26 -1.07 119.74 124.95 3hrz s LYS 375 Ca -0.07 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.99 3hrz s LYS 375 Cb -0.14 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 3hrz s LYS 375 CO -0.02 -0.15 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.23 3hrz s LEU 376 N 1.65 3.08 -0.28 5.43 1.43 0.71 -4.93 118.68 125.77 3hrz s LEU 376 Ca 0.25 -0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.14 3hrz s LEU 376 Cb -0.15 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3hrz s LEU 376 CO 0.10 0.33 0.28 -0.63 0.23 0.00 0.00 176.35 176.66 3hrz s ILE 377 N -0.63 5.24 -0.19 -0.59 -1.09 -1.26 0.21 121.20 122.89 3hrz s ILE 377 Ca 0.09 0.35 -0.06 0.00 -2.23 0.00 0.00 60.65 58.80 3hrz s ILE 377 Cb -0.11 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 3hrz s ILE 377 CO 0.02 0.19 0.04 -0.76 -1.23 0.00 0.00 174.94 173.20 3hrz s LEU 378 N 1.91 3.61 0.01 2.97 1.02 0.61 -4.93 118.68 123.88 3hrz s LEU 378 Ca 0.11 -0.02 -0.30 0.00 0.02 0.00 0.00 54.13 53.94 3hrz s LEU 378 Cb -0.16 -1.91 -0.03 0.00 0.02 0.00 0.00 46.19 44.11 3hrz s LEU 378 CO 0.11 0.13 0.97 0.20 0.02 0.00 0.00 176.35 177.78 3hrz s ASN 379 N 0.61 7.37 -0.17 2.29 0.02 -1.26 -0.04 114.94 123.76 3hrz s ASN 379 Ca 0.02 1.66 -0.02 0.00 -1.02 0.00 0.00 52.86 53.49 3hrz s ASN 379 Cb -0.13 -2.57 -0.01 0.00 0.02 0.00 0.00 41.25 38.56 3hrz s ASN 379 CO 0.02 -0.24 -0.08 -0.63 0.02 0.00 0.00 177.10 176.18 3hrz s ILE 380 N 0.94 3.32 0.62 0.60 -1.09 -1.25 -4.94 121.20 119.39 3hrz s ILE 380 Ca 0.51 -0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 58.20 3hrz s ILE 380 Cb -0.21 -2.45 -0.02 0.00 -1.58 0.00 0.00 42.46 38.20 3hrz s ILE 380 CO 0.28 0.48 1.29 -2.84 -1.23 0.00 0.00 174.94 172.92 3hrz s PRO 381 N 0.78 2.73 0.47 2.79 0.02 -1.26 -2.40 135.00 138.12 3hrz s PRO 381 Ca -0.03 2.04 0.18 0.00 0.02 0.00 0.00 61.00 63.21 3hrz s PRO 381 Cb -0.15 -1.92 1.18 0.00 0.02 0.00 0.00 34.50 33.63 3hrz s PRO 381 CO 0.01 -1.45 1.99 1.25 -0.33 0.00 0.00 177.00 178.47 3hrz h LEU 382 N 0.76 0.21 -0.24 -5.54 5.85 -1.91 -2.87 115.31 111.57 3hrz h LEU 382 Ca -0.51 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3hrz h LEU 382 Cb 1.32 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3hrz h LEU 382 CO 0.54 0.12 -0.40 -0.46 -0.34 0.00 0.00 178.44 177.91 3hrz n ASN 383 N -4.44 0.76 -4.75 1.25 0.23 -1.26 -4.47 115.26 102.58 3hrz n ASN 383 Ca 0.10 -0.57 -0.41 0.00 -0.53 0.00 0.00 54.58 53.17 3hrz n ASN 383 Cb 0.47 0.21 -0.03 0.00 -2.08 0.00 0.00 39.78 38.35 3hrz n ASN 383 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hrz s ALA 384 N -2.77 3.52 -0.02 -2.53 0.00 -1.09 -4.92 121.76 113.96 3hrz s ALA 384 Ca 0.17 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.36 3hrz s ALA 384 Cb 0.18 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 3hrz s ALA 384 CO 0.62 -0.58 0.10 1.04 0.00 0.00 0.00 175.76 176.93 3hrz n GLN 385 N 1.73 0.56 -4.18 0.00 1.13 -1.26 -4.72 117.38 110.64 3hrz n GLN 385 Ca 0.03 -0.03 -0.19 0.00 -1.94 0.00 0.00 57.00 54.87 3hrz n GLN 385 Cb 0.42 -1.07 -0.12 0.00 0.11 0.00 0.00 30.24 29.59 3hrz n GLN 385 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3hrz s SER 386 N -2.39 1.74 -0.35 1.08 0.15 -1.26 -2.32 113.70 110.35 3hrz s SER 386 Ca -0.01 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.00 3hrz s SER 386 Cb 0.03 -0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.42 3hrz s SER 386 CO 0.17 -0.08 0.22 -0.22 1.20 0.00 0.00 173.24 174.54 3hrz s LEU 387 N -1.81 0.87 0.17 3.45 2.96 -0.50 -5.00 118.68 118.81 3hrz s LEU 387 Ca -0.01 -2.12 -0.30 0.00 -0.22 0.00 0.00 54.13 51.49 3hrz s LEU 387 Cb -0.09 -0.31 -0.08 0.00 0.50 0.00 0.00 46.19 46.21 3hrz s LEU 387 CO 0.02 -0.31 1.12 -2.84 -1.32 0.00 0.00 176.35 173.03 3hrz s PRO 388 N 1.13 4.56 -0.03 0.98 0.02 -1.26 -1.57 135.00 138.83 3hrz s PRO 388 Ca 0.18 1.75 0.03 0.00 0.02 0.00 0.00 61.00 62.97 3hrz s PRO 388 Cb -0.22 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.03 3hrz s PRO 388 CO 0.00 0.02 -0.09 0.42 -0.33 0.00 0.00 177.00 177.02 3hrz s ILE 389 N -0.12 0.81 -0.10 2.83 1.01 0.18 -4.99 121.20 120.84 3hrz s ILE 389 Ca 0.51 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.80 3hrz s ILE 389 Cb -0.30 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.46 3hrz s ILE 389 CO 0.35 0.25 -0.14 -0.89 0.00 0.00 0.00 174.94 174.51 3hrz s THR 390 N 0.21 1.41 0.06 2.92 2.01 -1.26 -1.34 115.64 119.64 3hrz s THR 390 Ca -0.04 -0.60 0.09 0.00 0.31 0.00 0.00 61.69 61.45 3hrz s THR 390 Cb -0.09 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 3hrz s THR 390 CO 0.01 0.42 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.45 3hrz s VAL 391 N 0.90 2.51 0.04 3.82 1.01 -0.46 -4.30 120.40 123.92 3hrz s VAL 391 Ca -0.09 -1.37 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 3hrz s VAL 391 Cb -0.15 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3hrz s VAL 391 CO 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 175.10 175.35 3hrz s ARG 392 N -1.53 0.50 0.67 2.72 1.70 -0.88 -1.56 118.95 120.57 3hrz s ARG 392 Ca 0.14 -0.96 -0.15 0.00 -0.47 0.00 0.00 55.73 54.29 3hrz s ARG 392 Cb -0.10 0.10 0.01 0.00 -0.57 0.00 0.00 34.95 34.39 3hrz s ARG 392 CO 0.05 -0.07 1.12 0.95 -1.08 0.00 0.00 175.30 176.27 3hrz s THR 393 N -2.76 3.10 -0.33 4.99 -4.23 0.56 -1.49 115.64 115.48 3hrz s THR 393 Ca -0.03 0.51 0.16 0.00 -1.18 0.00 0.00 61.69 61.15 3hrz s THR 393 Cb -0.00 -3.03 0.46 0.00 1.34 0.00 0.00 72.50 71.26 3hrz s THR 393 CO -0.05 -0.32 1.03 -3.20 -0.54 0.00 0.00 174.62 171.54 3hrz n ASN 394 N -2.49 2.38 -4.72 3.99 5.15 0.90 -4.65 115.26 115.83 3hrz n ASN 394 Ca 0.11 -2.86 -0.42 0.00 -0.60 0.00 0.00 54.58 50.81 3hrz n ASN 394 Cb 0.52 -0.49 -0.03 0.00 -0.53 0.00 0.00 39.78 39.25 3hrz n ASN 394 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3hrz s HIS 395 N -3.37 3.21 0.57 1.20 5.65 -1.26 -4.67 115.29 116.62 3hrz s HIS 395 Ca 0.33 0.91 0.33 0.00 0.25 0.00 0.00 55.06 56.88 3hrz s HIS 395 Cb 0.42 -3.72 1.89 0.00 -1.18 0.00 0.00 32.58 29.99 3hrz s HIS 395 CO -0.02 -2.54 2.25 0.78 -0.65 0.00 0.00 174.74 174.55 3hrz h GLY 396 N 6.67 0.00 -1.05 1.59 0.00 -1.98 -2.41 103.07 105.88 3hrz h GLY 396 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3hrz h GLY 396 CO 0.87 0.00 -0.05 1.22 0.00 0.00 0.00 176.54 178.57 3hrz n ASP 397 N -3.63 2.12 -4.68 0.19 8.00 -1.26 -4.91 116.55 112.39 3hrz n ASP 397 Ca -0.03 -1.66 -0.33 0.00 0.71 0.00 0.00 54.79 53.48 3hrz n ASP 397 Cb 0.11 0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.16 3hrz n ASP 397 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hrz s LEU 398 N -2.07 3.51 0.83 0.64 1.43 -0.91 -5.11 118.68 116.99 3hrz s LEU 398 Ca 0.31 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 3hrz s LEU 398 Cb 0.20 -1.94 0.09 0.00 0.03 0.00 0.00 46.19 44.57 3hrz s LEU 398 CO 0.35 0.31 1.09 -2.16 0.23 0.00 0.00 176.35 176.18 3hrz s PRO 399 N -1.32 1.83 0.43 1.29 0.04 -1.26 -4.88 135.00 131.13 3hrz s PRO 399 Ca 0.17 1.01 0.12 0.00 0.04 0.00 0.00 61.00 62.35 3hrz s PRO 399 Cb -0.11 -1.86 0.99 0.00 0.04 0.00 0.00 34.50 33.55 3hrz s PRO 399 CO 0.07 -1.90 2.00 0.00 0.04 0.00 0.00 177.00 177.21 3hrz h ARG 400 N -1.31 0.43 0.00 4.56 2.47 -1.96 -1.44 114.38 117.13 3hrz h ARG 400 Ca -0.46 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.21 3hrz h ARG 400 Cb 1.25 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.47 3hrz h ARG 400 CO 0.53 0.29 -0.12 0.93 0.56 0.00 0.00 179.97 182.16 3hrz h GLU 401 N 0.45 0.00 -0.00 0.04 4.39 -1.97 -2.08 114.58 115.40 3hrz h GLU 401 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3hrz h GLU 401 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3hrz h GLU 401 CO -0.07 0.12 -0.65 0.54 -1.16 0.00 0.00 179.01 177.78 3hrz n ARG 402 N -3.34 0.28 -2.08 2.33 5.12 -0.56 -4.85 116.66 113.56 3hrz n ARG 402 Ca -0.00 -0.21 -0.40 0.00 -1.93 0.00 0.00 57.85 55.31 3hrz n ARG 402 Cb 0.32 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.11 3hrz n ARG 402 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3hrz s GLN 403 N -2.86 4.20 0.29 5.56 -1.52 -0.79 -4.13 119.66 120.42 3hrz s GLN 403 Ca 0.13 2.21 -0.27 0.00 -1.95 0.00 0.00 55.36 55.48 3hrz s GLN 403 Cb 0.17 -2.95 -0.10 0.00 -0.22 0.00 0.00 33.01 29.92 3hrz s GLN 403 CO 0.72 -0.31 0.93 0.00 -0.25 0.00 0.00 175.29 176.38 3hrz s ALA 404 N -1.19 3.26 0.15 6.09 0.00 -1.26 -4.85 121.76 123.96 3hrz s ALA 404 Ca 0.52 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3hrz s ALA 404 Cb -0.39 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3hrz s ALA 404 CO 0.52 0.20 0.04 -0.08 0.00 0.00 0.00 175.76 176.43 3hrz s THR 405 N -1.48 0.32 -0.28 0.00 -1.32 -1.26 -0.32 115.64 111.29 3hrz s THR 405 Ca 0.47 -1.94 -0.25 0.00 -1.21 0.00 0.00 61.69 58.76 3hrz s THR 405 Cb -0.21 -2.10 0.15 0.00 -1.51 0.00 0.00 72.50 68.84 3hrz s THR 405 CO 0.26 -0.45 1.22 -0.75 -2.21 0.00 0.00 174.62 172.70 3hrz s LYS 406 N -4.00 0.30 0.20 7.08 2.47 -0.60 -4.70 119.74 120.48 3hrz s LYS 406 Ca 0.25 0.33 0.11 0.00 -1.56 0.00 0.00 55.97 55.10 3hrz s LYS 406 Cb 0.07 0.14 -0.04 0.00 -1.46 0.00 0.00 37.83 36.54 3hrz s LYS 406 CO 0.03 -0.04 -0.21 -1.12 0.16 0.00 0.00 175.35 174.17 3hrz s SER 407 N 0.05 3.58 0.18 1.43 0.01 -1.26 -1.36 113.70 116.34 3hrz s SER 407 Ca 0.05 -0.85 -0.10 0.00 1.31 0.00 0.00 55.95 56.36 3hrz s SER 407 Cb -0.05 -0.33 -0.01 0.00 0.21 0.00 0.00 66.02 65.84 3hrz s SER 407 CO -0.10 0.11 0.33 0.00 0.41 0.00 0.00 173.24 173.98 3hrz s MET 408 N -2.82 1.24 -0.16 12.44 0.23 -0.45 -5.01 119.30 124.77 3hrz s MET 408 Ca 0.23 -1.18 -0.00 0.00 -1.03 0.00 0.00 55.69 53.71 3hrz s MET 408 Cb -0.08 0.40 0.03 0.00 -1.53 0.00 0.00 34.83 33.66 3hrz s MET 408 CO 0.11 -0.47 -0.08 0.99 -2.03 0.00 0.00 175.02 173.54 3hrz s THR 409 N -3.98 1.27 0.37 3.16 2.01 -1.26 -0.64 115.64 116.57 3hrz s THR 409 Ca 0.18 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.45 3hrz s THR 409 Cb 0.02 -1.35 -0.07 0.00 0.01 0.00 0.00 72.50 71.12 3hrz s THR 409 CO 0.02 0.25 0.72 0.00 -0.69 0.00 0.00 174.62 174.92 3hrz s ALA 410 N 1.58 3.39 0.08 7.40 0.00 -0.61 -4.90 121.76 128.70 3hrz s ALA 410 Ca 0.02 -0.21 0.09 0.00 0.00 0.00 0.00 51.96 51.86 3hrz s ALA 410 Cb -0.14 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 3hrz s ALA 410 CO -0.08 0.11 -0.25 0.42 0.00 0.00 0.00 175.76 175.95 3hrz s ILE 411 N -2.24 2.06 0.15 0.00 -1.09 -0.02 -1.40 121.20 118.66 3hrz s ILE 411 Ca 0.51 -1.49 -0.30 0.00 -2.23 0.00 0.00 60.65 57.14 3hrz s ILE 411 Cb -0.10 -1.80 -0.08 0.00 -1.58 0.00 0.00 42.46 38.90 3hrz s ILE 411 CO 0.28 0.22 1.26 0.00 -1.23 0.00 0.00 174.94 175.47 3hrz s ALA 412 N -0.91 3.47 0.10 9.38 0.00 -0.98 -1.33 121.76 131.49 3hrz s ALA 412 Ca 0.11 1.00 -0.33 0.00 0.00 0.00 0.00 51.96 52.74 3hrz s ALA 412 Cb -0.10 -3.46 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 3hrz s ALA 412 CO 0.03 -0.46 1.75 0.98 0.00 0.00 0.00 175.76 178.06 3hrz n TYR 413 N 3.05 2.45 -3.03 0.00 9.36 -0.51 -4.87 117.16 123.61 3hrz n TYR 413 Ca 0.07 0.04 -0.41 0.00 3.32 0.00 0.00 57.90 60.92 3hrz n TYR 413 Cb 0.44 -2.65 -0.06 0.00 -0.63 0.00 0.00 39.34 36.45 3hrz n TYR 413 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3hrz s GLN 414 N 2.27 4.14 0.50 2.98 -1.52 0.25 -4.92 119.66 123.35 3hrz s GLN 414 Ca 0.83 0.70 -0.18 0.00 -1.95 0.00 0.00 55.36 54.75 3hrz s GLN 414 Cb -0.60 -3.64 -0.08 0.00 -0.22 0.00 0.00 33.01 28.46 3hrz s GLN 414 CO 0.40 -0.44 0.99 0.95 -0.25 0.00 0.00 175.29 176.95 3hrz s THR 415 N 2.59 4.25 -0.02 -0.19 -4.23 -1.26 -4.39 115.64 112.40 3hrz s THR 415 Ca 0.29 1.23 -0.30 0.00 -1.18 0.00 0.00 61.69 61.74 3hrz s THR 415 Cb -0.15 -3.59 -0.06 0.00 1.34 0.00 0.00 72.50 70.04 3hrz s THR 415 CO 0.08 -0.47 1.69 -1.58 -0.54 0.00 0.00 174.62 173.81 3hrz s GLN 416 N -3.65 4.18 -0.26 3.99 0.74 -1.26 -2.11 119.66 121.29 3hrz s GLN 416 Ca 0.62 2.27 0.00 0.00 0.05 0.00 0.00 55.36 58.30 3hrz s GLN 416 Cb -0.12 -3.94 0.00 0.00 1.10 0.00 0.00 33.01 30.05 3hrz s GLN 416 CO 0.24 -0.84 0.00 0.41 -0.55 0.00 0.00 175.29 174.56 3hrz n GLY 417 N 4.16 0.33 1.69 2.59 0.00 -1.26 -1.94 105.19 110.75 3hrz n GLY 417 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3hrz n GLY 417 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrz n GLY 418 N 0.06 0.50 0.31 -0.02 0.00 -0.90 -4.94 105.19 100.22 3hrz n GLY 418 Ca -0.02 -0.67 0.18 0.00 0.00 0.00 0.00 46.02 45.50 3hrz n GLY 418 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hrz h SER 419 N 0.00 0.00 -0.37 1.61 4.64 -1.59 -3.46 113.55 114.38 3hrz h SER 419 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3hrz h SER 419 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3hrz h SER 419 CO 0.00 0.00 -0.14 0.61 -0.87 0.00 0.00 176.83 176.43 3hrz n GLY 420 N -1.25 0.96 3.76 -0.77 0.00 -1.26 -4.51 105.19 102.12 3hrz n GLY 420 Ca -0.03 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 3hrz n GLY 420 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hrz s ASN 421 N -2.73 6.61 0.13 1.61 0.01 -1.26 -3.88 114.94 115.43 3hrz s ASN 421 Ca 0.00 0.73 0.03 0.00 -0.71 0.00 0.00 52.86 52.91 3hrz s ASN 421 Cb 0.00 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 3hrz s ASN 421 CO 0.00 0.13 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.32 3hrz s TYR 422 N 0.08 1.12 -0.02 2.20 2.02 0.20 -4.76 117.35 118.19 3hrz s TYR 422 Ca 0.22 -0.82 0.02 0.00 -0.37 0.00 0.00 57.07 56.11 3hrz s TYR 422 Cb -0.15 -0.59 0.00 0.00 -0.40 0.00 0.00 41.96 40.82 3hrz s TYR 422 CO 0.08 -0.01 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.82 3hrz s LEU 423 N -3.11 1.80 -0.07 -1.29 2.96 -1.26 -2.50 118.68 115.20 3hrz s LEU 423 Ca 0.15 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3hrz s LEU 423 Cb 0.04 -0.39 0.03 0.00 0.50 0.00 0.00 46.19 46.36 3hrz s LEU 423 CO -0.02 0.04 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.77 3hrz s HIS 424 N 0.17 0.71 -0.21 5.38 5.65 0.17 -4.55 115.29 122.60 3hrz s HIS 424 Ca -0.02 -0.20 -0.14 0.00 0.25 0.00 0.00 55.06 54.96 3hrz s HIS 424 Cb -0.06 -0.81 -0.04 0.00 -1.18 0.00 0.00 32.58 30.49 3hrz s HIS 424 CO -0.00 -0.32 0.31 0.08 -0.65 0.00 0.00 174.74 174.15 3hrz s VAL 425 N 1.86 5.26 -0.13 0.89 1.01 -1.26 -1.11 120.40 126.92 3hrz s VAL 425 Ca 0.04 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.55 3hrz s VAL 425 Cb -0.12 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3hrz s VAL 425 CO -0.05 0.29 -0.20 0.00 0.00 0.00 0.00 175.10 175.14 3hrz s ALA 426 N 1.17 2.31 -0.24 5.51 0.00 -0.16 -4.88 121.76 125.48 3hrz s ALA 426 Ca 0.15 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 3hrz s ALA 426 Cb -0.14 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 22.00 3hrz s ALA 426 CO 0.06 0.07 -0.09 0.42 0.00 0.00 0.00 175.76 176.23 3hrz s ILE 427 N 0.66 2.68 -0.39 0.00 -1.09 -1.26 -1.27 121.20 120.53 3hrz s ILE 427 Ca -0.10 -1.07 0.23 0.00 -2.23 0.00 0.00 60.65 57.48 3hrz s ILE 427 Cb -0.16 -2.35 0.02 0.00 -1.58 0.00 0.00 42.46 38.39 3hrz s ILE 427 CO 0.02 0.23 1.15 0.71 -1.23 0.00 0.00 174.94 175.82 3hrz h THR 428 N 6.17 0.00 -4.10 2.92 1.35 -1.99 -3.48 112.91 113.78 3hrz h THR 428 Ca -0.33 -0.81 -0.49 0.00 -0.55 0.00 0.00 66.41 64.23 3hrz h THR 428 Cb 1.11 1.34 0.06 0.00 -1.73 0.00 0.00 68.15 68.93 3hrz h THR 428 CO 0.57 0.00 0.41 -0.44 -0.25 0.00 0.00 175.52 175.81 3hrz s SER 429 N -4.95 5.85 0.21 5.36 0.01 -1.26 -5.06 113.70 113.86 3hrz s SER 429 Ca 0.02 2.08 0.07 0.00 1.31 0.00 0.00 55.95 59.43 3hrz s SER 429 Cb 0.11 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 3hrz s SER 429 CO 0.76 -1.13 -0.11 0.42 0.41 0.00 0.00 173.24 173.60 3hrz s THR 430 N -1.91 1.58 -1.29 1.44 -4.23 -1.26 -4.82 115.64 105.15 3hrz s THR 430 Ca 0.70 -2.16 -0.20 0.00 -1.18 0.00 0.00 61.69 58.86 3hrz s THR 430 Cb -0.21 -2.13 0.02 0.00 1.34 0.00 0.00 72.50 71.52 3hrz s THR 430 CO 0.27 -0.53 0.55 -0.62 -0.54 0.00 0.00 174.62 173.74 3hrz n GLU 431 N -0.40 -1.09 -2.28 3.99 1.02 -1.26 -4.87 120.64 115.75 3hrz n GLU 431 Ca -0.07 0.22 -0.41 0.00 -0.02 0.00 0.00 57.16 56.88 3hrz n GLU 431 Cb 0.61 -3.42 -0.03 0.00 -0.02 0.00 0.00 31.44 28.58 3hrz n GLU 431 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hrz s ILE 432 N -3.74 3.25 0.04 -3.67 1.01 -1.26 -4.90 121.20 111.93 3hrz s ILE 432 Ca 0.32 1.11 0.03 0.00 0.00 0.00 0.00 60.65 62.11 3hrz s ILE 432 Cb -0.16 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 3hrz s ILE 432 CO 0.94 0.20 -0.09 -0.54 0.00 0.00 0.00 174.94 175.45 3hrz s LYS 433 N -0.69 0.61 0.24 2.79 1.02 -1.26 -0.86 119.74 121.60 3hrz s LYS 433 Ca 0.52 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 55.50 3hrz s LYS 433 Cb -0.35 -0.48 -0.15 0.00 -0.52 0.00 0.00 37.83 36.33 3hrz s LYS 433 CO 0.41 0.10 1.04 -2.30 -0.92 0.00 0.00 175.35 173.69 3hrz n PRO 434 N 1.69 1.23 0.00 -1.68 -0.02 -1.26 -1.53 135.00 133.43 3hrz n PRO 434 Ca -0.21 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3hrz n PRO 434 Cb 0.55 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3hrz n PRO 434 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hrz n GLY 435 N 1.56 3.29 3.77 -1.23 0.00 0.12 -4.98 105.19 107.71 3hrz n GLY 435 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3hrz n GLY 435 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hrz s ASP 436 N -0.92 4.87 -0.28 1.61 1.01 -0.58 -4.78 116.67 117.60 3hrz s ASP 436 Ca 0.00 1.94 -0.00 0.00 0.71 0.00 0.00 52.55 55.20 3hrz s ASP 436 Cb 0.00 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.44 3hrz s ASP 436 CO 0.00 -1.79 -0.05 0.20 0.21 0.00 0.00 175.17 173.74 3hrz s ASN 437 N -2.87 4.61 -0.29 0.27 0.01 -1.26 -1.18 114.94 114.23 3hrz s ASN 437 Ca 0.65 -1.24 -0.09 0.00 -0.71 0.00 0.00 52.86 51.47 3hrz s ASN 437 Cb -0.19 -1.64 -0.01 0.00 0.41 0.00 0.00 41.25 39.81 3hrz s ASN 437 CO 0.47 -0.21 0.13 -0.22 -1.51 0.00 0.00 177.10 175.76 3hrz s LEU 438 N 1.21 3.93 -0.00 0.60 2.96 -0.02 -4.89 118.68 122.46 3hrz s LEU 438 Ca -0.05 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.14 3hrz s LEU 438 Cb -0.19 -1.99 -0.06 0.00 0.50 0.00 0.00 46.19 44.45 3hrz s LEU 438 CO -0.03 -0.15 1.51 -2.84 -1.32 0.00 0.00 176.35 173.52 3hrz s PRO 439 N 1.62 4.24 -0.19 0.98 0.02 -1.26 -0.85 135.00 139.55 3hrz s PRO 439 Ca 0.05 2.08 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 3hrz s PRO 439 Cb -0.16 -3.68 -0.02 0.00 0.02 0.00 0.00 34.50 30.66 3hrz s PRO 439 CO 0.06 -0.68 -0.03 0.08 -0.33 0.00 0.00 177.00 176.10 3hrz s VAL 440 N 2.87 3.69 -0.23 3.83 1.01 0.76 -4.40 120.40 127.93 3hrz s VAL 440 Ca 0.68 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 3hrz s VAL 440 Cb -0.33 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 3hrz s VAL 440 CO 0.28 0.44 0.15 0.20 0.00 0.00 0.00 175.10 176.17 3hrz s ASN 441 N 1.00 6.08 -0.26 3.32 0.01 -0.40 -1.04 114.94 123.66 3hrz s ASN 441 Ca 0.01 0.12 -0.14 0.00 -0.71 0.00 0.00 52.86 52.14 3hrz s ASN 441 Cb -0.15 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 3hrz s ASN 441 CO 0.01 0.08 0.31 -0.36 -1.51 0.00 0.00 177.10 175.63 3hrz s PHE 442 N 0.94 3.25 -0.09 2.20 0.08 0.20 -0.98 117.98 123.58 3hrz s PHE 442 Ca 0.07 0.33 0.04 0.00 0.12 0.00 0.00 56.93 57.49 3hrz s PHE 442 Cb -0.13 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.83 3hrz s PHE 442 CO 0.03 -0.17 -0.22 -0.80 -0.10 0.00 0.00 175.22 173.96 3hrz s ASN 443 N 1.58 2.85 0.12 1.36 0.01 -0.27 -1.32 114.94 119.28 3hrz s ASN 443 Ca 0.12 -0.51 0.08 0.00 -0.71 0.00 0.00 52.86 51.85 3hrz s ASN 443 Cb -0.16 -1.24 -0.04 0.00 0.41 0.00 0.00 41.25 40.23 3hrz s ASN 443 CO 0.10 0.15 -0.13 0.68 -1.51 0.00 0.00 177.10 176.39 3hrz s VAL 444 N 0.33 3.16 -0.12 1.60 -7.23 -0.90 -0.66 120.40 116.57 3hrz s VAL 444 Ca -0.16 -1.42 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 3hrz s VAL 444 Cb -0.17 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.32 3hrz s VAL 444 CO 0.07 0.07 0.33 -0.75 -0.31 0.00 0.00 175.10 174.51 3hrz s LYS 445 N -2.30 0.38 0.00 4.82 2.20 -1.04 -4.91 119.74 118.90 3hrz s LYS 445 Ca 0.21 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 3hrz s LYS 445 Cb -0.10 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 3hrz s LYS 445 CO 0.13 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 3hrz n GLY 446 N 2.91 0.11 3.68 5.54 0.00 -1.25 0.59 105.19 116.77 3hrz n GLY 446 Ca -0.13 -1.46 -0.45 0.00 0.00 0.00 0.00 46.02 43.99 3hrz n GLY 446 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hrz n ASN 447 N 0.23 2.99 -0.18 1.61 4.05 -1.26 -4.85 115.26 117.85 3hrz n ASN 447 Ca 0.00 1.13 -0.03 0.00 0.45 0.00 0.00 54.58 56.13 3hrz n ASN 447 Cb 0.00 -1.45 0.07 0.00 1.23 0.00 0.00 39.78 39.63 3hrz n ASN 447 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hrz h ALA 448 N 4.73 0.70 -0.33 5.20 0.00 -1.99 0.83 119.26 128.40 3hrz h ALA 448 Ca -0.45 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3hrz h ALA 448 Cb 1.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3hrz h ALA 448 CO 0.80 -0.13 -0.32 -0.91 0.00 0.00 0.00 179.25 178.69 3hrz h ASN 449 N 0.46 0.73 0.09 0.00 4.21 -2.00 -2.38 115.58 116.69 3hrz h ASN 449 Ca 0.26 -0.30 -0.00 0.00 1.21 0.00 0.00 56.30 57.47 3hrz h ASN 449 Cb 0.23 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 3hrz h ASN 449 CO -0.22 1.00 -0.04 0.28 -1.29 0.00 0.00 177.43 177.16 3hrz h SER 450 N 0.60 -0.10 -0.48 5.81 0.02 -1.83 -3.25 113.55 114.32 3hrz h SER 450 Ca 0.07 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3hrz h SER 450 Cb 0.83 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 3hrz h SER 450 CO 0.07 0.01 0.21 -0.07 -1.14 0.00 0.00 176.83 175.91 3hrz h LEU 451 N -0.21 0.69 -2.11 5.07 3.38 -0.75 -1.45 115.31 119.93 3hrz h LEU 451 Ca -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3hrz h LEU 451 Cb 0.17 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hrz h LEU 451 CO 0.02 0.62 -0.08 0.07 0.09 0.00 0.00 178.44 179.17 3hrz h LYS 452 N 0.75 0.00 0.00 1.13 2.10 -1.46 -1.38 116.57 117.71 3hrz h LYS 452 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 3hrz h LYS 452 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 3hrz h LYS 452 CO -0.02 0.08 0.00 1.04 -2.00 0.00 0.00 179.45 178.55 3hrz n GLN 453 N -3.63 0.21 -2.61 0.07 6.02 -0.55 -4.79 117.38 112.10 3hrz n GLN 453 Ca -0.02 0.42 -0.43 0.00 -0.01 0.00 0.00 57.00 56.96 3hrz n GLN 453 Cb 0.19 -1.89 -0.02 0.00 1.02 0.00 0.00 30.24 29.54 3hrz n GLN 453 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hrz s ILE 454 N -3.33 4.51 -0.05 5.09 1.01 -0.52 -4.88 121.20 123.03 3hrz s ILE 454 Ca 0.04 1.76 0.16 0.00 0.00 0.00 0.00 60.65 62.61 3hrz s ILE 454 Cb 0.09 -4.34 -0.24 0.00 0.01 0.00 0.00 42.46 37.98 3hrz s ILE 454 CO 0.41 -0.38 0.36 0.29 0.00 0.00 0.00 174.94 175.61 3hrz n LYS 455 N 6.75 0.54 -3.50 2.79 5.02 -1.26 -4.76 118.16 123.74 3hrz n LYS 455 Ca 0.12 -0.14 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 3hrz n LYS 455 Cb 0.47 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 3hrz n LYS 455 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3hrz s TYR 456 N -3.06 -0.38 -0.08 2.13 -0.85 -1.26 -0.67 117.35 113.19 3hrz s TYR 456 Ca -0.05 0.29 -0.01 0.00 -0.52 0.00 0.00 57.07 56.78 3hrz s TYR 456 Cb 0.10 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.94 3hrz s TYR 456 CO 0.65 -0.56 -0.03 -0.06 -1.52 0.00 0.00 175.55 174.03 3hrz s PHE 457 N -2.96 3.07 -0.11 -3.49 0.08 0.72 -4.68 117.98 110.61 3hrz s PHE 457 Ca 0.03 0.12 -0.11 0.00 0.12 0.00 0.00 56.93 57.10 3hrz s PHE 457 Cb -0.01 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 3hrz s PHE 457 CO -0.08 0.41 0.24 0.99 -0.10 0.00 0.00 175.22 176.68 3hrz s THR 458 N -0.86 5.34 0.03 0.64 2.01 -0.31 -0.64 115.64 121.85 3hrz s THR 458 Ca 0.13 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.60 3hrz s THR 458 Cb -0.11 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 3hrz s THR 458 CO 0.02 0.53 -0.10 -0.72 -0.69 0.00 0.00 174.62 173.66 3hrz s TYR 459 N -0.51 0.87 -0.06 4.92 -0.85 -0.34 -1.05 117.35 120.33 3hrz s TYR 459 Ca 0.16 -0.34 0.04 0.00 -0.52 0.00 0.00 57.07 56.41 3hrz s TYR 459 Cb -0.13 -0.52 0.00 0.00 0.38 0.00 0.00 41.96 41.68 3hrz s TYR 459 CO 0.05 -0.01 -0.18 -0.51 -1.52 0.00 0.00 175.55 173.39 3hrz s LEU 460 N -1.05 1.89 -0.30 -3.49 1.02 0.86 -0.25 118.68 117.36 3hrz s LEU 460 Ca -0.02 -0.38 -0.14 0.00 0.02 0.00 0.00 54.13 53.60 3hrz s LEU 460 Cb -0.07 -1.03 -0.03 0.00 0.02 0.00 0.00 46.19 45.08 3hrz s LEU 460 CO 0.01 0.13 0.34 -0.63 0.02 0.00 0.00 176.35 176.22 3hrz s ILE 461 N 0.21 5.19 -0.16 -0.59 -1.09 0.16 -1.50 121.20 123.43 3hrz s ILE 461 Ca -0.09 0.32 -0.05 0.00 -2.23 0.00 0.00 60.65 58.60 3hrz s ILE 461 Cb -0.14 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 3hrz s ILE 461 CO 0.04 0.08 0.01 -0.76 -1.23 0.00 0.00 174.94 173.07 3hrz s LEU 462 N 2.01 3.53 -0.03 2.97 1.43 -0.33 -0.06 118.68 128.21 3hrz s LEU 462 Ca 0.13 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3hrz s LEU 462 Cb -0.16 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.21 3hrz s LEU 462 CO 0.11 0.19 0.07 0.21 0.23 0.00 0.00 176.35 177.15 3hrz s ASN 463 N 0.28 -0.04 -1.58 2.29 3.84 -0.51 -0.83 114.94 118.39 3hrz s ASN 463 Ca 0.00 0.13 -0.07 0.00 0.21 0.00 0.00 52.86 53.14 3hrz s ASN 463 Cb -0.13 0.09 0.06 0.00 -0.55 0.00 0.00 41.25 40.72 3hrz s ASN 463 CO 0.02 -0.07 0.37 0.29 -2.79 0.00 0.00 177.10 174.91 3hrz n LYS 464 N 3.52 -2.10 -0.50 0.43 5.02 -1.26 -1.43 118.16 121.84 3hrz n LYS 464 Ca -0.18 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3hrz n LYS 464 Cb 0.56 -4.33 0.00 0.00 -0.02 0.00 0.00 35.03 31.24 3hrz n LYS 464 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hrz n GLY 465 N -1.96 1.39 3.56 0.72 0.00 -1.26 -5.00 105.19 102.64 3hrz n GLY 465 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 3hrz n GLY 465 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hrz s LYS 466 N -0.22 1.97 -0.34 1.61 1.02 -0.51 -4.86 119.74 118.41 3hrz s LYS 466 Ca 0.00 -1.66 -0.27 0.00 0.02 0.00 0.00 55.97 54.06 3hrz s LYS 466 Cb 0.00 -1.93 0.01 0.00 -0.52 0.00 0.00 37.83 35.39 3hrz s LYS 466 CO 0.00 0.29 1.00 0.42 -0.92 0.00 0.00 175.35 176.14 3hrz s ILE 467 N -2.45 4.56 -0.18 2.17 1.01 -1.26 -1.42 121.20 123.62 3hrz s ILE 467 Ca 0.32 1.48 0.04 0.00 0.00 0.00 0.00 60.65 62.48 3hrz s ILE 467 Cb -0.04 -4.36 -0.22 0.00 0.01 0.00 0.00 42.46 37.84 3hrz s ILE 467 CO 0.18 -0.49 0.13 0.33 0.00 0.00 0.00 174.94 175.09 3hrz n PHE 468 N 6.80 0.53 -3.64 3.97 7.35 0.92 -4.46 117.46 128.93 3hrz n PHE 468 Ca 0.09 0.13 -0.15 0.00 -0.76 0.00 0.00 57.45 56.77 3hrz n PHE 468 Cb 0.48 -1.08 -0.08 0.00 0.35 0.00 0.00 39.48 39.15 3hrz n PHE 468 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 3hrz s LYS 469 N -2.54 0.82 0.04 -4.13 2.20 -1.09 -4.99 119.74 110.04 3hrz s LYS 469 Ca -0.22 0.29 0.06 0.00 -0.36 0.00 0.00 55.97 55.73 3hrz s LYS 469 Cb 0.08 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.76 3hrz s LYS 469 CO 0.72 -0.21 -0.17 0.08 -0.36 0.00 0.00 175.35 175.42 3hrz s VAL 470 N -0.77 1.32 0.33 4.02 1.01 -1.26 0.39 120.40 125.43 3hrz s VAL 470 Ca -0.08 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 3hrz s VAL 470 Cb -0.03 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.20 3hrz s VAL 470 CO 0.05 0.10 0.56 -0.83 0.00 0.00 0.00 175.10 174.98 3hrz s GLY 471 N -1.10 0.92 -0.06 4.51 0.00 0.65 -4.99 107.32 107.24 3hrz s GLY 471 Ca 0.04 -1.12 0.05 0.00 0.00 0.00 0.00 44.72 43.68 3hrz s GLY 471 CO 0.01 -0.71 -0.21 0.50 0.00 0.00 0.00 173.10 172.70 3hrz s ARG 472 N -3.16 2.36 -0.27 2.90 1.81 -1.26 -1.20 118.95 120.12 3hrz s ARG 472 Ca 0.24 -0.77 -0.01 0.00 -1.72 0.00 0.00 55.73 53.47 3hrz s ARG 472 Cb -0.02 -1.94 0.04 0.00 -0.45 0.00 0.00 34.95 32.58 3hrz s ARG 472 CO 0.15 0.26 -0.04 -1.14 -0.68 0.00 0.00 175.30 173.85 3hrz s GLN 473 N 0.09 2.61 0.69 3.54 2.00 0.19 -4.97 119.66 123.81 3hrz s GLN 473 Ca -0.08 -1.13 -0.16 0.00 -2.00 0.00 0.00 55.36 51.98 3hrz s GLN 473 Cb -0.14 -3.06 0.02 0.00 0.80 0.00 0.00 33.01 30.62 3hrz s GLN 473 CO 0.04 -0.51 1.22 -2.14 -0.50 0.00 0.00 175.29 173.40 3hrz s PRO 474 N 1.28 2.39 -0.19 1.67 0.02 -1.26 -0.20 135.00 138.71 3hrz s PRO 474 Ca -0.03 1.81 -0.04 0.00 0.02 0.00 0.00 61.00 62.76 3hrz s PRO 474 Cb -0.18 -1.86 0.06 0.00 0.02 0.00 0.00 34.50 32.54 3hrz s PRO 474 CO -0.03 -1.66 0.07 0.50 -0.33 0.00 0.00 177.00 175.55 3hrz s ARG 475 N -3.72 0.35 0.20 5.54 3.52 0.16 -4.80 118.95 120.20 3hrz s ARG 475 Ca 0.76 -0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.79 3hrz s ARG 475 Cb -0.30 -1.94 -0.08 0.00 -1.56 0.00 0.00 34.95 31.06 3hrz s ARG 475 CO 0.42 -0.67 1.22 1.03 -0.81 0.00 0.00 175.30 176.49 3hrz s ARG 476 N 2.00 4.47 0.62 5.12 0.52 -1.26 -4.51 118.95 125.91 3hrz s ARG 476 Ca 0.01 1.93 -0.19 0.00 -0.52 0.00 0.00 55.73 56.96 3hrz s ARG 476 Cb -0.17 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 3hrz s ARG 476 CO -0.10 -0.11 1.28 0.34 0.02 0.00 0.00 175.30 176.73 3hrz s ASP 477 N 0.09 4.82 0.00 0.23 2.15 -1.26 -2.26 116.67 120.43 3hrz s ASP 477 Ca 0.53 2.60 0.00 0.00 0.43 0.00 0.00 52.55 56.11 3hrz s ASP 477 Cb -0.34 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.66 3hrz s ASP 477 CO 0.38 -1.86 0.00 0.61 -0.17 0.00 0.00 175.17 174.13 3hrz n GLY 478 N 0.80 2.75 3.47 2.66 0.00 -1.26 -5.04 105.19 108.57 3hrz n GLY 478 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3hrz n GLY 478 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hrz s GLN 479 N -0.12 3.17 0.00 1.61 -0.21 -0.96 -4.82 119.66 118.32 3hrz s GLN 479 Ca 0.00 -0.68 0.28 0.00 0.02 0.00 0.00 55.36 54.98 3hrz s GLN 479 Cb 0.00 -4.18 1.10 0.00 1.00 0.00 0.00 33.01 30.93 3hrz s GLN 479 CO 0.00 -1.72 1.79 0.09 -2.12 0.00 0.00 175.29 173.33 3hrz n ASN 480 N 7.62 0.45 -3.98 5.90 4.13 -1.26 -4.67 115.26 123.44 3hrz n ASN 480 Ca -0.02 -0.40 -0.26 0.00 1.68 0.00 0.00 54.58 55.57 3hrz n ASN 480 Cb 0.46 -0.07 -0.17 0.00 -1.54 0.00 0.00 39.78 38.46 3hrz n ASN 480 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3hrz s LEU 481 N -2.62 1.46 -0.04 3.41 0.20 -1.26 -2.13 118.68 117.70 3hrz s LEU 481 Ca 0.24 -0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.77 3hrz s LEU 481 Cb 0.19 -0.85 0.01 0.00 -0.43 0.00 0.00 46.19 45.12 3hrz s LEU 481 CO 0.52 -0.03 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.76 3hrz s VAL 482 N 1.13 0.86 0.02 1.68 1.01 -0.43 -4.98 120.40 119.68 3hrz s VAL 482 Ca -0.06 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.65 3hrz s VAL 482 Cb -0.14 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3hrz s VAL 482 CO -0.02 0.28 -0.25 -0.89 0.00 0.00 0.00 175.10 174.23 3hrz s THR 483 N 0.53 2.23 0.02 3.92 2.01 -1.26 0.58 115.64 123.67 3hrz s THR 483 Ca -0.09 -1.24 0.02 0.00 0.31 0.00 0.00 61.69 60.68 3hrz s THR 483 Cb -0.13 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 3hrz s THR 483 CO 0.02 0.44 -0.07 -0.32 -0.69 0.00 0.00 174.62 174.00 3hrz s MET 484 N -1.03 0.52 -0.11 4.92 1.75 -0.20 -4.98 119.30 120.17 3hrz s MET 484 Ca 0.11 -0.51 -0.14 0.00 -1.25 0.00 0.00 55.69 53.90 3hrz s MET 484 Cb -0.10 -0.41 -0.05 0.00 2.84 0.00 0.00 34.83 37.11 3hrz s MET 484 CO 0.01 0.10 0.34 1.21 -0.65 0.00 0.00 175.02 176.03 3hrz s ASN 485 N -0.89 6.57 -0.19 1.11 2.47 -1.26 -0.17 114.94 122.57 3hrz s ASN 485 Ca -0.04 0.68 -0.01 0.00 0.42 0.00 0.00 52.86 53.91 3hrz s ASN 485 Cb -0.06 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 37.53 3hrz s ASN 485 CO 0.00 0.16 -0.12 -0.22 -3.72 0.00 0.00 177.10 173.21 3hrz s LEU 486 N -0.01 2.56 -0.19 3.21 2.96 -0.03 -4.93 118.68 122.25 3hrz s LEU 486 Ca 0.20 -0.49 -0.22 0.00 -0.22 0.00 0.00 54.13 53.40 3hrz s LEU 486 Cb -0.14 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3hrz s LEU 486 CO 0.07 0.01 0.68 -2.28 -1.32 0.00 0.00 176.35 173.51 3hrz s HIS 487 N 1.28 3.39 -0.16 5.38 5.65 -1.26 -0.84 115.29 128.73 3hrz s HIS 487 Ca 0.03 1.01 -0.25 0.00 0.25 0.00 0.00 55.06 56.11 3hrz s HIS 487 Cb -0.14 -2.85 -0.02 0.00 -1.18 0.00 0.00 32.58 28.39 3hrz s HIS 487 CO -0.06 -0.19 0.79 0.42 -0.65 0.00 0.00 174.74 175.05 3hrz s ILE 488 N 1.96 4.92 0.34 0.89 -1.09 -0.33 -5.00 121.20 122.89 3hrz s ILE 488 Ca 0.31 1.56 0.09 0.00 -2.23 0.00 0.00 60.65 60.38 3hrz s ILE 488 Cb -0.16 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 3hrz s ILE 488 CO 0.11 0.06 0.04 0.42 -1.23 0.00 0.00 174.94 174.34 3hrz s THR 489 N 1.95 2.71 0.40 2.92 -4.23 -1.26 0.13 115.64 118.26 3hrz s THR 489 Ca 0.37 -1.91 0.33 0.00 -1.18 0.00 0.00 61.69 59.30 3hrz s THR 489 Cb -0.17 -2.84 0.33 0.00 1.34 0.00 0.00 72.50 71.17 3hrz s THR 489 CO 0.13 -0.20 2.01 -0.65 -0.54 0.00 0.00 174.62 175.38 3hrz h PRO 490 N 1.75 0.00 0.00 3.99 0.11 -1.94 -0.38 132.00 135.53 3hrz h PRO 490 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hrz h PRO 490 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hrz h PRO 490 CO 0.66 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.01 3hrz h ASP 491 N 0.00 0.00 0.06 -2.05 3.32 -1.95 -2.65 116.42 113.16 3hrz h ASP 491 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hrz h ASP 491 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hrz h ASP 491 CO 0.00 0.00 -0.30 0.18 -1.72 0.00 0.00 179.24 177.40 3hrz n LEU 492 N -2.73 1.78 -4.77 1.55 4.77 -0.15 -4.87 117.00 112.58 3hrz n LEU 492 Ca -0.01 -0.61 -0.40 0.00 -0.03 0.00 0.00 56.01 54.97 3hrz n LEU 492 Cb 0.14 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3hrz n LEU 492 CO 0.19 0.32 1.06 -0.63 -1.33 0.00 0.00 177.39 177.00 3hrz s ILE 493 N -2.38 2.19 -1.12 -0.08 1.01 -1.00 -1.45 121.20 118.37 3hrz s ILE 493 Ca 0.24 0.17 0.25 0.00 0.00 0.00 0.00 60.65 61.31 3hrz s ILE 493 Cb 0.19 -3.10 0.05 0.00 0.01 0.00 0.00 42.46 39.61 3hrz s ILE 493 CO 0.50 0.03 1.44 -0.81 0.00 0.00 0.00 174.94 176.10 3hrz n PRO 494 N 0.00 0.14 -3.64 2.79 -0.04 -1.26 -4.90 135.00 128.09 3hrz n PRO 494 Ca 0.04 -0.08 -0.01 0.00 -0.04 0.00 0.00 63.50 63.41 3hrz n PRO 494 Cb 0.42 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 3hrz n PRO 494 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hrz s SER 495 N -2.92 -0.11 0.16 3.54 1.04 -0.53 -1.61 113.70 113.27 3hrz s SER 495 Ca 0.13 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.28 3hrz s SER 495 Cb 0.18 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3hrz s SER 495 CO 0.67 -0.44 0.32 0.72 0.98 0.00 0.00 173.24 175.49 3hrz s PHE 496 N -2.65 0.26 -0.09 5.02 -0.12 -0.33 -4.60 117.98 115.47 3hrz s PHE 496 Ca 0.13 -0.62 -0.01 0.00 -0.05 0.00 0.00 56.93 56.37 3hrz s PHE 496 Cb 0.02 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.42 3hrz s PHE 496 CO -0.03 -0.73 -0.03 1.03 -0.05 0.00 0.00 175.22 175.41 3hrz s ARG 497 N -3.93 2.98 -0.36 1.99 0.52 -0.01 -0.59 118.95 119.54 3hrz s ARG 497 Ca 0.14 -0.48 -0.06 0.00 -0.52 0.00 0.00 55.73 54.81 3hrz s ARG 497 Cb 0.03 -2.73 0.05 0.00 0.52 0.00 0.00 34.95 32.82 3hrz s ARG 497 CO -0.02 0.63 0.14 0.12 0.02 0.00 0.00 175.30 176.19 3hrz s PHE 498 N -0.70 3.30 -0.10 -0.53 5.36 -0.23 -1.18 117.98 123.91 3hrz s PHE 498 Ca 0.11 -1.56 -0.01 0.00 -0.96 0.00 0.00 56.93 54.50 3hrz s PHE 498 Cb -0.12 -2.50 -0.03 0.00 -0.34 0.00 0.00 43.02 40.04 3hrz s PHE 498 CO 0.02 -0.78 -0.04 0.08 -1.46 0.00 0.00 175.22 173.04 3hrz s VAL 499 N 1.37 3.96 0.01 3.12 1.01 -0.56 -1.15 120.40 128.17 3hrz s VAL 499 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 3hrz s VAL 499 Cb -0.21 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3hrz s VAL 499 CO 0.02 0.57 0.19 0.00 0.00 0.00 0.00 175.10 175.88 3hrz s ALA 500 N -0.54 -0.42 0.10 5.51 0.00 -0.27 -0.10 121.76 126.04 3hrz s ALA 500 Ca 0.09 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 3hrz s ALA 500 Cb -0.12 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.18 3hrz s ALA 500 CO 0.02 -0.26 0.39 1.52 0.00 0.00 0.00 175.76 177.43 3hrz s TYR 501 N -1.70 -0.20 0.29 0.00 -0.85 -0.21 -1.10 117.35 113.57 3hrz s TYR 501 Ca -0.12 -0.04 0.09 0.00 -0.52 0.00 0.00 57.07 56.49 3hrz s TYR 501 Cb -0.05 0.23 -0.06 0.00 0.38 0.00 0.00 41.96 42.46 3hrz s TYR 501 CO 0.01 -0.65 -0.12 1.52 -1.52 0.00 0.00 175.55 174.79 3hrz s TYR 502 N -3.39 2.13 0.08 -3.49 -0.85 -0.49 -1.16 117.35 110.18 3hrz s TYR 502 Ca 0.00 -0.52 0.09 0.00 -0.52 0.00 0.00 57.07 56.12 3hrz s TYR 502 Cb 0.01 -1.11 -0.03 0.00 0.38 0.00 0.00 41.96 41.21 3hrz s TYR 502 CO -0.09 0.50 -0.25 1.14 -1.52 0.00 0.00 175.55 175.33 3hrz s GLN 503 N -3.62 1.53 -0.08 -3.49 1.03 -1.26 -1.21 119.66 112.56 3hrz s GLN 503 Ca 0.29 -1.16 0.03 0.00 0.04 0.00 0.00 55.36 54.57 3hrz s GLN 503 Cb 0.00 -1.81 0.00 0.00 0.03 0.00 0.00 33.01 31.24 3hrz s GLN 503 CO 0.13 0.45 -0.19 0.08 -2.54 0.00 0.00 175.29 173.22 3hrz s VAL 504 N -0.92 1.65 -1.63 3.63 1.01 0.20 -4.76 120.40 119.58 3hrz s VAL 504 Ca 0.11 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 3hrz s VAL 504 Cb -0.10 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3hrz s VAL 504 CO 0.03 0.47 0.06 0.61 0.00 0.00 0.00 175.10 176.27 3hrz n GLY 505 N 3.57 -0.50 2.37 4.51 0.00 -1.26 -1.37 105.19 112.51 3hrz n GLY 505 Ca -0.20 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3hrz n GLY 505 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hrz n ASN 506 N -2.03 -3.72 0.00 1.61 3.02 -1.26 -4.66 115.26 108.22 3hrz n ASN 506 Ca -0.22 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hrz n ASN 506 Cb 0.67 -3.21 0.00 0.00 -0.61 0.00 0.00 39.78 36.63 3hrz n ASN 506 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hrz n ASN 507 N -1.61 0.00 -4.58 6.41 5.15 -0.79 -4.54 115.26 115.30 3hrz n ASN 507 Ca -0.14 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.50 3hrz n ASN 507 Cb 0.58 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.72 3hrz n ASN 507 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3hrz s GLU 508 N -1.00 3.71 -0.11 1.20 2.12 -0.47 -4.96 118.70 119.18 3hrz s GLU 508 Ca 0.00 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.91 3hrz s GLU 508 Cb 0.00 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 3hrz s GLU 508 CO 0.00 0.33 -0.12 0.42 -0.54 0.00 0.00 175.26 175.35 3hrz s ILE 509 N 0.18 3.22 -0.13 -3.70 1.01 -1.26 -0.63 121.20 119.88 3hrz s ILE 509 Ca 0.01 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3hrz s ILE 509 Cb -0.13 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.02 3hrz s ILE 509 CO 0.02 0.54 -0.16 -0.69 0.00 0.00 0.00 174.94 174.65 3hrz s VAL 510 N 0.03 1.61 0.08 2.92 1.01 -0.35 -4.75 120.40 120.96 3hrz s VAL 510 Ca -0.04 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3hrz s VAL 510 Cb -0.14 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3hrz s VAL 510 CO 0.04 0.46 -0.13 0.00 0.00 0.00 0.00 175.10 175.47 3hrz s ALA 511 N 1.15 1.18 0.15 5.51 0.00 -1.26 -1.39 121.76 127.09 3hrz s ALA 511 Ca -0.02 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.82 3hrz s ALA 511 Cb -0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 3hrz s ALA 511 CO -0.05 0.12 0.22 0.34 0.00 0.00 0.00 175.76 176.40 3hrz s ASP 512 N -1.91 0.11 0.08 0.00 2.15 -0.26 -4.68 116.67 112.16 3hrz s ASP 512 Ca -0.00 -0.90 -0.16 0.00 0.43 0.00 0.00 52.55 51.92 3hrz s ASP 512 Cb -0.08 0.39 0.03 0.00 -0.30 0.00 0.00 42.92 42.96 3hrz s ASP 512 CO 0.02 -0.84 0.37 -0.94 -0.17 0.00 0.00 175.17 173.62 3hrz s SER 513 N -2.97 -0.20 0.03 -0.34 1.04 -1.26 -1.11 113.70 108.88 3hrz s SER 513 Ca 0.16 -0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.42 3hrz s SER 513 Cb 0.04 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 3hrz s SER 513 CO -0.02 -0.73 -0.12 -0.69 0.98 0.00 0.00 173.24 172.66 3hrz s VAL 514 N -3.12 0.90 -0.21 5.02 1.01 -0.30 -1.58 120.40 122.12 3hrz s VAL 514 Ca -0.01 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 3hrz s VAL 514 Cb 0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 3hrz s VAL 514 CO -0.07 0.01 0.19 0.86 0.00 0.00 0.00 175.10 176.09 3hrz s TRP 515 N -0.73 3.38 -0.19 5.22 -0.00 -1.16 -1.07 118.94 124.38 3hrz s TRP 515 Ca 0.01 0.35 0.01 0.00 -0.00 0.00 0.00 56.10 56.47 3hrz s TRP 515 Cb -0.07 -2.26 0.03 0.00 -0.00 0.00 0.00 33.47 31.17 3hrz s TRP 515 CO 0.01 0.17 -0.15 0.08 -0.00 0.00 0.00 176.95 177.05 3hrz s VAL 516 N 0.74 1.91 0.36 5.86 1.01 0.24 -5.01 120.40 125.50 3hrz s VAL 516 Ca 0.10 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 3hrz s VAL 516 Cb -0.13 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 3hrz s VAL 516 CO 0.02 0.33 1.04 -0.62 0.00 0.00 0.00 175.10 175.88 3hrz s ASP 517 N 1.31 6.98 0.07 3.32 2.15 -1.26 -1.19 116.67 128.04 3hrz s ASP 517 Ca 0.01 2.06 0.09 0.00 0.43 0.00 0.00 52.55 55.14 3hrz s ASP 517 Cb -0.15 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.84 3hrz s ASP 517 CO -0.10 -0.34 -0.25 -0.69 -0.17 0.00 0.00 175.17 173.63 3hrz s VAL 518 N -1.52 2.02 0.01 1.11 1.01 -0.64 -4.36 120.40 118.03 3hrz s VAL 518 Ca 0.53 -1.43 -0.33 0.00 0.00 0.00 0.00 61.98 60.76 3hrz s VAL 518 Cb -0.24 -1.75 -0.11 0.00 0.00 0.00 0.00 36.38 34.28 3hrz s VAL 518 CO 0.30 0.24 1.86 1.17 0.00 0.00 0.00 175.10 178.67 3hrz n LYS 519 N 1.57 2.44 -2.40 2.72 4.81 -0.04 -4.57 118.16 122.70 3hrz n LYS 519 Ca -0.17 0.89 -0.43 0.00 -0.87 0.00 0.00 58.31 57.73 3hrz n LYS 519 Cb 0.53 -2.76 -0.02 0.00 0.02 0.00 0.00 35.03 32.79 3hrz n LYS 519 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3hrz s ASP 520 N 3.54 6.61 0.34 3.14 1.11 -1.26 -4.85 116.67 125.30 3hrz s ASP 520 Ca 0.88 1.18 0.07 0.00 0.18 0.00 0.00 52.55 54.86 3hrz s ASP 520 Cb -0.60 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 40.82 3hrz s ASP 520 CO 0.45 -1.14 0.26 0.42 1.18 0.00 0.00 175.17 176.35 3hrz s THR 521 N 4.56 0.06 0.50 -1.27 -4.23 -1.26 -5.09 115.64 108.91 3hrz s THR 521 Ca 0.58 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.86 3hrz s THR 521 Cb -0.17 -2.48 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 3hrz s THR 521 CO 0.25 0.00 1.14 0.00 -0.54 0.00 0.00 174.62 175.47 3hrz h MET 523 N 1.37 0.06 0.00 0.00 2.86 -1.99 -3.45 114.93 113.77 3hrz h MET 523 Ca -0.48 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 3hrz h MET 523 Cb 1.33 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.99 3hrz h MET 523 CO 0.56 0.64 0.00 0.41 1.06 0.00 0.00 176.91 179.58 3hrz n GLY 524 N 0.20 2.95 2.94 8.32 0.00 -1.26 -4.81 105.19 113.53 3hrz n GLY 524 Ca -0.02 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 3hrz n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hrz s THR 525 N 4.37 -0.02 -0.26 2.61 2.01 -1.26 -5.07 115.64 118.02 3hrz s THR 525 Ca 0.00 0.08 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 3hrz s THR 525 Cb 0.00 -0.18 0.13 0.00 0.01 0.00 0.00 72.50 72.47 3hrz s THR 525 CO 0.00 0.03 0.53 -0.22 -0.69 0.00 0.00 174.62 174.27 3hrz s LEU 526 N 0.52 -0.98 -0.02 4.42 2.96 -1.25 -3.38 118.68 120.95 3hrz s LEU 526 Ca -0.04 1.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.90 3hrz s LEU 526 Cb -0.05 1.80 -0.00 0.00 0.50 0.00 0.00 46.19 48.43 3hrz s LEU 526 CO -0.02 -0.25 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.97 3hrz s VAL 527 N 2.75 0.85 -0.34 1.68 1.01 0.11 -5.00 120.40 121.46 3hrz s VAL 527 Ca 0.05 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 3hrz s VAL 527 Cb -0.13 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.53 3hrz s VAL 527 CO -0.17 0.25 0.16 -0.69 0.00 0.00 0.00 175.10 174.65 3hrz s VAL 528 N -0.05 4.43 -0.09 2.92 1.01 -1.26 -1.03 120.40 126.33 3hrz s VAL 528 Ca 0.01 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 3hrz s VAL 528 Cb -0.06 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3hrz s VAL 528 CO 0.00 -0.08 -0.06 -0.54 0.00 0.00 0.00 175.10 174.42 3hrz s LYS 529 N 1.56 3.00 0.09 2.72 1.02 -0.37 -4.97 119.74 122.79 3hrz s LYS 529 Ca 0.03 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.50 3hrz s LYS 529 Cb -0.18 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 3hrz s LYS 529 CO 0.06 0.55 0.07 0.41 -0.92 0.00 0.00 175.35 175.52 3hrz n GLY 530 N 2.56 3.74 0.09 -3.33 0.00 -1.26 -0.77 105.19 106.22 3hrz n GLY 530 Ca -0.18 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.22 3hrz n GLY 530 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hrz h ASP 531 N 0.54 0.00 0.00 1.61 2.03 -2.00 -3.48 116.42 115.12 3hrz h ASP 531 Ca -0.06 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 3hrz h ASP 531 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 3hrz h ASP 531 CO 0.09 0.07 0.00 0.59 -1.03 0.00 0.00 179.24 178.96 3hrz n ASN 532 N -2.34 -4.04 -4.83 4.15 4.13 -1.26 -5.00 115.26 106.06 3hrz n ASN 532 Ca 0.02 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.96 3hrz n ASN 532 Cb 0.48 -1.67 -0.04 0.00 -1.54 0.00 0.00 39.78 37.00 3hrz n ASN 532 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3hrz s LEU 533 N 0.00 3.72 0.30 3.41 1.43 -1.26 -5.03 118.68 121.25 3hrz s LEU 533 Ca 0.00 1.64 -0.29 0.00 -1.03 0.00 0.00 54.13 54.45 3hrz s LEU 533 Cb 0.00 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 3hrz s LEU 533 CO 0.00 -0.56 1.28 -0.63 0.23 0.00 0.00 176.35 176.67 3hrz s ILE 534 N -2.45 2.91 0.37 -0.59 1.01 -1.26 -5.04 121.20 116.15 3hrz s ILE 534 Ca 0.60 0.88 0.08 0.00 0.00 0.00 0.00 60.65 62.22 3hrz s ILE 534 Cb -0.10 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 3hrz s ILE 534 CO 0.26 0.20 0.10 -1.10 0.00 0.00 0.00 174.94 174.40 3hrz s GLN 535 N -1.41 2.20 0.16 2.79 -1.52 -1.26 -5.14 119.66 115.48 3hrz s GLN 535 Ca 0.50 -1.73 -0.03 0.00 -1.95 0.00 0.00 55.36 52.15 3hrz s GLN 535 Cb -0.38 -2.01 -0.05 0.00 -0.22 0.00 0.00 33.01 30.35 3hrz s GLN 535 CO 0.48 0.04 0.37 -1.64 -0.25 0.00 0.00 175.29 174.29 3hrz s MET 536 N -3.81 3.56 0.39 2.91 -1.94 -1.26 -5.06 119.30 114.09 3hrz s MET 536 Ca 0.38 -0.22 -0.26 0.00 -1.71 0.00 0.00 55.69 53.87 3hrz s MET 536 Cb 0.01 -2.86 -0.11 0.00 2.01 0.00 0.00 34.83 33.88 3hrz s MET 536 CO 0.21 0.45 1.23 -2.30 -0.01 0.00 0.00 175.02 174.60 3hrz n PRO 537 N -0.19 1.87 -0.99 2.03 -0.02 -1.26 -1.97 135.00 134.48 3hrz n PRO 537 Ca -0.03 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3hrz n PRO 537 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3hrz n PRO 537 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hrz n GLY 538 N 0.87 0.43 3.77 -1.23 0.00 -1.26 -5.02 105.19 102.75 3hrz n GLY 538 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3hrz n GLY 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrz s ALA 539 N -1.93 2.81 -0.04 4.61 0.00 -0.83 -4.99 121.76 121.40 3hrz s ALA 539 Ca 0.00 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 3hrz s ALA 539 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3hrz s ALA 539 CO 0.00 -0.80 1.33 0.00 0.00 0.00 0.00 175.76 176.29 3hrz s ALA 540 N -1.61 3.56 0.16 0.00 0.00 -1.26 -5.04 121.76 117.57 3hrz s ALA 540 Ca 0.69 0.75 0.07 0.00 0.00 0.00 0.00 51.96 53.47 3hrz s ALA 540 Cb -0.28 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 3hrz s ALA 540 CO 0.33 -0.91 0.01 -1.64 0.00 0.00 0.00 175.76 173.54 3hrz s MET 541 N 2.51 2.45 -0.04 0.00 -1.94 -1.26 -5.13 119.30 115.89 3hrz s MET 541 Ca 0.61 -1.06 0.02 0.00 -1.71 0.00 0.00 55.69 53.54 3hrz s MET 541 Cb -0.28 -2.40 0.02 0.00 2.01 0.00 0.00 34.83 34.18 3hrz s MET 541 CO 0.24 0.47 -0.06 0.15 -0.01 0.00 0.00 175.02 175.80 3hrz s LYS 542 N -2.86 0.90 0.11 2.03 1.02 -1.26 -5.15 119.74 114.52 3hrz s LYS 542 Ca 0.27 -0.18 0.05 0.00 0.02 0.00 0.00 55.97 56.13 3hrz s LYS 542 Cb -0.10 -0.86 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 3hrz s LYS 542 CO 0.19 -0.01 -0.12 0.96 -0.92 0.00 0.00 175.35 175.45 3hrz s ILE 543 N 0.64 1.12 -0.15 2.17 -4.36 -1.26 -4.61 121.20 114.75 3hrz s ILE 543 Ca -0.09 -1.69 -0.04 0.00 -0.26 0.00 0.00 60.65 58.57 3hrz s ILE 543 Cb -0.12 -1.45 -0.03 0.00 1.25 0.00 0.00 42.46 42.11 3hrz s ILE 543 CO 0.01 -0.51 -0.02 -0.54 0.24 0.00 0.00 174.94 174.12 3hrz s LYS 544 N -2.78 3.64 -0.30 0.37 1.02 0.05 -4.97 119.74 116.77 3hrz s LYS 544 Ca 0.07 -0.48 -0.13 0.00 0.02 0.00 0.00 55.97 55.45 3hrz s LYS 544 Cb -0.04 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 3hrz s LYS 544 CO 0.01 0.30 0.28 -0.51 -0.92 0.00 0.00 175.35 174.52 3hrz s LEU 545 N 0.21 4.19 -0.15 3.17 1.43 -1.26 -1.23 118.68 125.03 3hrz s LEU 545 Ca -0.01 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3hrz s LEU 545 Cb -0.14 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 3hrz s LEU 545 CO 0.02 -0.17 -0.11 -1.61 0.23 0.00 0.00 176.35 174.71 3hrz s GLU 546 N 1.89 3.37 0.00 1.70 2.02 -0.20 -4.99 118.70 122.49 3hrz s GLU 546 Ca 0.10 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.41 3hrz s GLU 546 Cb -0.16 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.35 3hrz s GLU 546 CO 0.11 0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.89 3hrz n GLY 547 N 3.88 1.89 3.79 -1.39 0.00 -1.26 -0.71 105.19 111.39 3hrz n GLY 547 Ca -0.18 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 3hrz n GLY 547 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hrz s ASP 548 N 0.54 7.06 0.19 1.61 1.01 -1.22 -4.97 116.67 120.89 3hrz s ASP 548 Ca 0.00 1.85 -0.33 0.00 0.71 0.00 0.00 52.55 54.79 3hrz s ASP 548 Cb 0.00 -2.57 -0.14 0.00 1.01 0.00 0.00 42.92 41.22 3hrz s ASP 548 CO 0.00 -0.27 1.46 -2.65 0.21 0.00 0.00 175.17 173.92 3hrz n PRO 549 N 0.04 1.99 -0.99 8.23 -0.02 -1.26 -1.65 135.00 141.34 3hrz n PRO 549 Ca 0.04 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3hrz n PRO 549 Cb 0.51 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3hrz n PRO 549 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hrz n GLY 550 N 2.69 0.67 3.77 -1.23 0.00 -1.26 -5.01 105.19 104.82 3hrz n GLY 550 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3hrz n GLY 550 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrz s ALA 551 N -2.71 3.56 -0.27 4.61 0.00 -0.66 -4.99 121.76 121.29 3hrz s ALA 551 Ca 0.00 1.38 -0.11 0.00 0.00 0.00 0.00 51.96 53.23 3hrz s ALA 551 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 3hrz s ALA 551 CO 0.00 -0.79 0.20 0.50 0.00 0.00 0.00 175.76 175.66 3hrz s ARG 552 N -1.53 3.97 -0.27 0.00 3.52 -1.26 -5.05 118.95 118.34 3hrz s ARG 552 Ca 0.53 -0.29 -0.04 0.00 -0.13 0.00 0.00 55.73 55.80 3hrz s ARG 552 Cb -0.42 -3.64 0.02 0.00 -1.56 0.00 0.00 34.95 29.34 3hrz s ARG 552 CO 0.54 -0.15 -0.01 0.08 -0.81 0.00 0.00 175.30 174.95 3hrz s VAL 553 N 1.68 3.28 -0.03 7.11 1.01 -1.26 -5.09 120.40 127.11 3hrz s VAL 553 Ca 0.08 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 3hrz s VAL 553 Cb -0.16 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3hrz s VAL 553 CO 0.10 0.14 0.76 -0.83 0.00 0.00 0.00 175.10 175.27 3hrz s GLY 554 N 1.39 2.71 0.34 4.51 0.00 -1.26 -5.07 107.32 109.94 3hrz s GLY 554 Ca 0.01 0.24 0.09 0.00 0.00 0.00 0.00 44.72 45.05 3hrz s GLY 554 CO -0.02 1.24 0.03 1.08 0.00 0.00 0.00 173.10 175.43 3hrz s LEU 555 N 0.61 3.03 -0.18 0.66 1.43 -1.26 -5.15 118.68 117.81 3hrz s LEU 555 Ca 0.40 -0.96 -0.28 0.00 -1.03 0.00 0.00 54.13 52.26 3hrz s LEU 555 Cb -0.19 -1.41 0.11 0.00 0.03 0.00 0.00 46.19 44.73 3hrz s LEU 555 CO 0.21 -0.25 0.90 0.54 0.23 0.00 0.00 176.35 177.98 3hrz s VAL 556 N -2.51 0.00 -0.16 -1.59 0.11 -1.26 -5.13 120.40 109.86 3hrz s VAL 556 Ca 0.35 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 3hrz s VAL 556 Cb -0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3hrz s VAL 556 CO 0.20 0.00 -0.15 0.00 -3.33 0.00 0.00 175.10 171.82 3hrz s ALA 557 N -0.57 2.50 -0.05 1.54 0.00 -1.26 -5.12 121.76 118.81 3hrz s ALA 557 Ca -0.02 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.95 3hrz s ALA 557 Cb -0.02 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 3hrz s ALA 557 CO 0.01 -0.05 -0.25 0.08 0.00 0.00 0.00 175.76 175.55 3hrz s VAL 558 N 0.85 2.00 0.11 0.00 1.01 -1.26 -5.09 120.40 118.01 3hrz s VAL 558 Ca -0.05 -1.04 -0.31 0.00 0.00 0.00 0.00 61.98 60.58 3hrz s VAL 558 Cb -0.15 -1.69 -0.10 0.00 0.00 0.00 0.00 36.38 34.44 3hrz s VAL 558 CO -0.01 0.56 1.78 -0.62 0.00 0.00 0.00 175.10 176.81 3hrz s ASP 559 N -0.22 6.48 0.60 3.32 -1.08 -1.26 -4.84 116.67 119.67 3hrz s ASP 559 Ca -0.02 2.68 0.30 0.00 -0.52 0.00 0.00 52.55 54.99 3hrz s ASP 559 Cb -0.13 -2.57 1.74 0.00 -1.46 0.00 0.00 42.92 40.50 3hrz s ASP 559 CO 0.03 -0.97 2.12 0.50 0.52 0.00 0.00 175.17 177.37 3hrz h LYS 560 N 8.53 0.00 -0.07 4.34 3.64 -1.98 0.22 116.57 131.25 3hrz h LYS 560 Ca -0.45 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3hrz h LYS 560 Cb 1.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3hrz h LYS 560 CO 0.94 0.00 0.02 0.00 -2.27 0.00 0.00 179.45 178.14 3hrz h ALA 561 N 1.77 1.91 -0.68 5.00 0.00 -1.88 -2.10 119.26 123.27 3hrz h ALA 561 Ca 0.07 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hrz h ALA 561 Cb 0.43 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3hrz h ALA 561 CO -0.00 0.08 0.39 0.28 0.00 0.00 0.00 179.25 179.99 3hrz h VAL 562 N 0.09 0.99 0.00 0.00 2.07 -1.32 -2.46 116.25 115.62 3hrz h VAL 562 Ca 0.02 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3hrz h VAL 562 Cb 0.04 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3hrz h VAL 562 CO -0.00 0.13 -0.10 1.88 0.02 0.00 0.00 177.57 179.50 3hrz h TYR 563 N 0.72 0.00 -0.71 1.57 0.05 -1.52 -1.18 116.97 115.90 3hrz h TYR 563 Ca 0.30 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.10 3hrz h TYR 563 Cb 0.16 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.86 3hrz h TYR 563 CO -0.07 0.10 0.47 0.28 -1.05 0.00 0.00 178.16 177.89 3hrz h VAL 564 N 0.00 1.14 0.16 -2.88 2.07 -1.46 -2.94 116.25 112.35 3hrz h VAL 564 Ca -0.00 -0.31 -0.33 0.00 0.82 0.00 0.00 66.70 66.88 3hrz h VAL 564 Cb 0.22 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3hrz h VAL 564 CO 0.01 0.16 -1.60 -0.07 0.02 0.00 0.00 177.57 176.10 3hrz h LEU 565 N 0.90 0.53 -7.05 2.57 3.38 -1.28 -3.47 115.31 110.89 3hrz h LEU 565 Ca 0.27 -0.73 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hrz h LEU 565 Cb -0.01 -0.17 -0.22 0.00 0.09 0.00 0.00 40.66 40.34 3hrz h LEU 565 CO -0.07 1.60 -0.09 0.21 0.09 0.00 0.00 178.44 180.19 3hrz s ASN 566 N -7.18 -0.86 -0.00 -0.43 3.84 -0.72 -5.03 114.94 104.55 3hrz s ASN 566 Ca -0.11 1.38 0.00 0.00 0.21 0.00 0.00 52.86 54.34 3hrz s ASN 566 Cb 0.06 1.43 0.00 0.00 -0.55 0.00 0.00 41.25 42.19 3hrz s ASN 566 CO 0.87 -0.23 0.90 -0.90 -2.79 0.00 0.00 177.10 174.95 3hrz n ASP 567 N 4.57 0.02 0.11 -4.21 5.75 -1.24 -4.08 116.55 117.47 3hrz n ASP 567 Ca -0.19 -1.81 0.09 0.00 -0.01 0.00 0.00 54.79 52.87 3hrz n ASP 567 Cb 0.56 -0.16 0.01 0.00 -1.03 0.00 0.00 41.12 40.50 3hrz n ASP 567 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3hrz h LYS 568 N 0.00 0.00 -0.09 0.11 1.57 -1.96 -3.39 116.57 112.82 3hrz h LYS 568 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hrz h LYS 568 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3hrz h LYS 568 CO 0.00 0.08 0.00 0.66 -0.57 0.00 0.00 179.45 179.62 3hrz n TYR 569 N -2.81 0.11 -2.01 -1.35 4.01 -1.26 -5.02 117.16 108.82 3hrz n TYR 569 Ca -0.01 -0.11 -0.40 0.00 -0.16 0.00 0.00 57.90 57.21 3hrz n TYR 569 Cb 0.61 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.63 3hrz n TYR 569 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3hrz s LYS 570 N -0.95 4.16 0.51 -0.72 2.20 -1.26 -4.80 119.74 118.88 3hrz s LYS 570 Ca 0.15 2.29 -0.22 0.00 -0.36 0.00 0.00 55.97 57.84 3hrz s LYS 570 Cb 0.10 -2.94 -0.06 0.00 -1.51 0.00 0.00 37.83 33.42 3hrz s LYS 570 CO 0.14 -0.38 1.21 -1.50 -0.36 0.00 0.00 175.35 174.47 3hrz s ILE 571 N -1.17 2.81 0.19 5.43 2.07 -1.26 -5.02 121.20 124.24 3hrz s ILE 571 Ca 0.53 0.58 -0.20 0.00 -1.41 0.00 0.00 60.65 60.14 3hrz s ILE 571 Cb -0.41 -3.28 0.04 0.00 0.13 0.00 0.00 42.46 38.94 3hrz s ILE 571 CO 0.54 -0.03 0.57 -0.94 -1.91 0.00 0.00 174.94 173.17 3hrz s SER 572 N -1.34 -0.38 0.23 4.50 1.04 -1.26 -5.04 113.70 111.44 3hrz s SER 572 Ca 0.68 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.78 3hrz s SER 572 Cb -0.31 0.60 0.23 0.00 0.10 0.00 0.00 66.02 66.64 3hrz s SER 572 CO 0.37 -1.05 1.68 -0.61 0.98 0.00 0.00 173.24 174.61 3hrz h GLN 573 N 2.11 0.81 -0.29 4.02 5.75 -1.99 -2.31 115.11 123.20 3hrz h GLN 573 Ca -0.30 -0.28 -0.08 0.00 -0.15 0.00 0.00 58.65 57.85 3hrz h GLN 573 Cb 1.28 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.75 3hrz h GLN 573 CO 0.36 0.89 -0.15 0.00 -2.65 0.00 0.00 178.83 177.28 3hrz h ALA 574 N 1.14 1.20 -0.38 3.38 0.00 -1.98 0.04 119.26 122.66 3hrz h ALA 574 Ca 0.12 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3hrz h ALA 574 Cb 0.61 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hrz h ALA 574 CO 0.04 0.51 -0.20 0.87 0.00 0.00 0.00 179.25 180.47 3hrz h LYS 575 N 0.47 0.74 0.63 0.00 1.57 -1.91 -0.09 116.57 117.99 3hrz h LYS 575 Ca 0.08 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 3hrz h LYS 575 Cb 0.53 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.81 3hrz h LYS 575 CO 0.03 0.88 -0.30 0.82 -0.57 0.00 0.00 179.45 180.31 3hrz h ILE 576 N 0.65 0.37 -0.76 1.86 2.04 -0.73 -0.93 117.51 120.02 3hrz h ILE 576 Ca 0.10 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 3hrz h ILE 576 Cb 0.69 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3hrz h ILE 576 CO 0.05 0.01 0.31 -0.50 0.00 0.00 0.00 178.15 178.02 3hrz h TRP 577 N -0.88 1.14 -0.68 1.37 -0.00 -0.96 -1.64 115.95 114.30 3hrz h TRP 577 Ca -0.09 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.89 58.71 3hrz h TRP 577 Cb 0.66 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.16 29.44 3hrz h TRP 577 CO -0.03 0.87 0.39 0.22 -0.00 0.00 0.00 178.44 179.89 3hrz h ASP 578 N 1.09 0.83 -0.66 -3.49 3.58 -0.96 -0.13 116.42 116.69 3hrz h ASP 578 Ca 0.25 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 3hrz h ASP 578 Cb 0.20 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 3hrz h ASP 578 CO -0.02 0.67 0.39 0.74 -2.88 0.00 0.00 179.24 178.14 3hrz h THR 579 N 0.93 1.19 -0.34 2.25 2.02 -0.78 -1.25 112.91 116.94 3hrz h THR 579 Ca 0.24 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3hrz h THR 579 Cb 0.01 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 3hrz h THR 579 CO -0.04 0.20 0.15 0.40 0.37 0.00 0.00 175.52 176.60 3hrz h ILE 580 N 0.89 1.17 -0.85 3.11 1.08 -0.79 -2.97 117.51 119.16 3hrz h ILE 580 Ca 0.24 -0.51 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 3hrz h ILE 580 Cb -0.02 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 3hrz h ILE 580 CO -0.04 0.18 0.44 -0.33 -0.69 0.00 0.00 178.15 177.71 3hrz h GLU 581 N 0.40 1.21 0.00 2.37 4.39 -0.77 -1.02 114.58 121.16 3hrz h GLU 581 Ca 0.11 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3hrz h GLU 581 Cb 0.15 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3hrz h GLU 581 CO -0.01 0.91 0.00 0.87 -1.16 0.00 0.00 179.01 179.62 3hrz h LYS 582 N 1.20 0.00 -0.05 2.33 1.79 -1.13 -1.80 116.57 118.92 3hrz h LYS 582 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 3hrz h LYS 582 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3hrz h LYS 582 CO -0.04 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 178.76 3hrz n SER 583 N -2.91 2.73 -4.53 0.86 7.64 -0.40 -4.93 113.62 112.07 3hrz n SER 583 Ca -0.02 -1.90 -0.50 0.00 1.01 0.00 0.00 58.87 57.46 3hrz n SER 583 Cb 0.10 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 3hrz n SER 583 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3hrz n ASP 584 N 1.13 0.65 0.18 6.43 -0.08 -0.68 -4.88 116.55 119.30 3hrz n ASP 584 Ca 0.15 1.15 0.07 0.00 -1.51 0.00 0.00 54.79 54.65 3hrz n ASP 584 Cb 0.55 -1.12 0.13 0.00 2.34 0.00 0.00 41.12 43.02 3hrz n ASP 584 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3hrz h PHE 585 N 2.80 0.00 -3.78 -0.67 0.04 -1.91 -3.43 116.94 109.98 3hrz h PHE 585 Ca -0.42 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 59.87 3hrz h PHE 585 Cb 1.37 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.50 3hrz h PHE 585 CO 0.52 0.26 0.30 0.20 -0.60 0.00 0.00 178.31 178.99 3hrz s GLY 586 N -4.34 2.84 -0.00 -1.45 0.00 -1.25 -4.19 107.32 98.93 3hrz s GLY 586 Ca 0.05 0.48 0.12 0.00 0.00 0.00 0.00 44.72 45.37 3hrz s GLY 586 CO 0.70 0.94 0.49 0.00 0.00 0.00 0.00 173.10 175.23 3hrz s THR 588 N -2.26 0.76 -2.20 0.00 -4.23 -1.16 -5.06 115.64 101.49 3hrz s THR 588 Ca 0.03 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.72 3hrz s THR 588 Cb 0.09 -2.63 0.42 0.00 1.34 0.00 0.00 72.50 71.72 3hrz s THR 588 CO 0.51 0.00 1.47 0.00 -0.54 0.00 0.00 174.62 176.06 3hrz n ALA 589 N -0.63 2.50 0.00 3.99 0.00 -1.26 -4.88 120.51 120.23 3hrz n ALA 589 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3hrz n ALA 589 Cb 0.66 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3hrz n ALA 589 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrz n GLY 590 N 1.11 3.09 7.00 0.00 0.00 -1.26 -3.00 105.19 112.13 3hrz n GLY 590 Ca 0.15 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3hrz n GLY 590 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hrz n SER 591 N 0.00 -1.07 0.00 1.61 2.88 -0.62 -4.31 113.62 112.10 3hrz n SER 591 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3hrz n SER 591 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3hrz n SER 591 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hrz n GLY 592 N 0.00 0.62 0.21 0.46 0.00 -1.26 -4.28 105.19 100.94 3hrz n GLY 592 Ca 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 46.02 45.10 3hrz n GLY 592 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hrz h GLN 593 N 0.00 0.00 0.00 1.61 5.75 -1.91 -3.40 115.11 117.16 3hrz h GLN 593 Ca 0.00 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 3hrz h GLN 593 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3hrz h GLN 593 CO 0.00 0.28 0.19 0.27 -2.65 0.00 0.00 178.83 176.92 3hrz n ASN 594 N -3.77 -0.65 -0.17 -0.69 0.23 -1.26 -0.59 115.26 108.36 3hrz n ASN 594 Ca -0.01 -1.36 -0.03 0.00 -0.53 0.00 0.00 54.58 52.65 3hrz n ASN 594 Cb 0.38 1.06 0.07 0.00 -2.08 0.00 0.00 39.78 39.21 3hrz n ASN 594 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3hrz h ASN 595 N 0.70 0.19 -0.60 0.53 7.08 -1.86 -1.81 115.58 119.82 3hrz h ASN 595 Ca -0.10 0.06 -0.08 0.00 -3.08 0.00 0.00 56.30 53.10 3hrz h ASN 595 Cb 0.43 0.05 -0.02 0.00 -2.08 0.00 0.00 38.32 36.69 3hrz h ASN 595 CO 0.13 0.13 0.05 -0.07 -2.08 0.00 0.00 177.43 175.60 3hrz h LEU 596 N 0.37 0.99 -0.99 6.14 3.38 -1.96 -2.41 115.31 120.82 3hrz h LEU 596 Ca 0.25 -0.28 0.15 0.00 0.09 0.00 0.00 57.88 58.09 3hrz h LEU 596 Cb 0.27 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 3hrz h LEU 596 CO -0.25 1.03 0.61 1.23 0.09 0.00 0.00 178.44 181.14 3hrz h GLY 597 N 0.92 1.70 1.02 0.83 0.00 -1.80 -0.44 103.07 105.29 3hrz h GLY 597 Ca 0.18 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3hrz h GLY 597 CO 0.02 0.05 0.26 -2.08 0.00 0.00 0.00 176.54 174.78 3hrz h VAL 598 N 0.87 1.24 0.13 4.60 2.07 -0.82 -0.04 116.25 124.29 3hrz h VAL 598 Ca 0.53 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3hrz h VAL 598 Cb 0.68 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3hrz h VAL 598 CO -0.32 0.30 -0.06 -0.26 0.02 0.00 0.00 177.57 177.25 3hrz h PHE 599 N 0.95 -0.16 -0.41 1.57 0.04 -1.34 -2.81 116.94 114.77 3hrz h PHE 599 Ca 0.22 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.07 3hrz h PHE 599 Cb 0.22 0.05 -0.08 0.00 2.20 0.00 0.00 35.95 38.35 3hrz h PHE 599 CO 0.01 0.28 -0.09 0.93 -0.60 0.00 0.00 178.31 178.85 3hrz h GLU 600 N -0.69 0.01 0.00 1.51 5.08 -1.06 0.80 114.58 120.24 3hrz h GLU 600 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hrz h GLU 600 Cb 0.52 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hrz h GLU 600 CO 0.03 0.01 0.00 -0.44 -1.00 0.00 0.00 179.01 177.61 3hrz h ASP 601 N 0.01 0.00 0.15 1.42 5.19 -1.06 -1.15 116.42 120.99 3hrz h ASP 601 Ca 0.20 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3hrz h ASP 601 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 3hrz h ASP 601 CO -0.41 0.00 -0.35 0.00 -3.12 0.00 0.00 179.24 175.35 3hrz n ALA 602 N -1.98 3.29 -0.90 3.45 0.00 -0.75 -1.20 120.51 122.42 3hrz n ALA 602 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3hrz n ALA 602 Cb 0.32 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3hrz n ALA 602 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrz n GLY 603 N 1.37 1.02 3.46 0.00 0.00 -0.43 -3.85 105.19 106.76 3hrz n GLY 603 Ca 0.11 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 3hrz n GLY 603 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrz s LEU 604 N 0.00 2.58 0.02 0.99 1.43 0.20 0.01 118.68 123.91 3hrz s LEU 604 Ca 0.00 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 3hrz s LEU 604 Cb 0.00 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 3hrz s LEU 604 CO 0.00 0.19 0.05 0.00 0.23 0.00 0.00 176.35 176.81 3hrz s ALA 605 N -1.09 3.45 -0.03 4.21 0.00 0.10 -3.34 121.76 125.06 3hrz s ALA 605 Ca 0.16 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.19 3hrz s ALA 605 Cb -0.10 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.60 3hrz s ALA 605 CO 0.08 0.69 -0.07 -1.17 0.00 0.00 0.00 175.76 175.30 3hrz s LEU 606 N -1.87 1.60 0.04 0.00 2.96 -1.26 -1.89 118.68 118.26 3hrz s LEU 606 Ca 0.23 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3hrz s LEU 606 Cb -0.12 -0.49 -0.03 0.00 0.50 0.00 0.00 46.19 46.06 3hrz s LEU 606 CO 0.15 0.01 -0.07 0.28 -1.32 0.00 0.00 176.35 175.40 3hrz s THR 607 N 0.51 0.49 0.10 3.68 -1.32 -0.30 -1.83 115.64 116.96 3hrz s THR 607 Ca -0.07 -1.13 0.01 0.00 -1.21 0.00 0.00 61.69 59.28 3hrz s THR 607 Cb -0.11 -0.66 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 3hrz s THR 607 CO 0.01 -0.45 -0.05 0.42 -2.21 0.00 0.00 174.62 172.34 3hrz s THR 608 N -1.60 0.59 -0.71 5.08 -4.23 -1.20 -0.40 115.64 113.17 3hrz s THR 608 Ca -0.09 -1.92 0.13 0.00 -1.18 0.00 0.00 61.69 58.63 3hrz s THR 608 Cb -0.09 -1.71 0.13 0.00 1.34 0.00 0.00 72.50 72.17 3hrz s THR 608 CO -0.00 -0.85 1.40 -1.54 -0.54 0.00 0.00 174.62 173.09 3hrz n SER 609 N -0.04 0.26 -1.19 3.99 3.41 0.57 -0.67 113.62 119.95 3hrz n SER 609 Ca -0.12 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 3hrz n SER 609 Cb 0.61 -0.64 0.28 0.00 -0.26 0.00 0.00 64.21 64.20 3hrz n SER 609 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hrz n THR 610 N -1.82 0.73 -2.68 6.66 -2.24 -1.26 -4.96 114.28 108.71 3hrz n THR 610 Ca 0.01 -0.83 -0.15 0.00 -2.27 0.00 0.00 64.05 60.81 3hrz n THR 610 Cb 0.09 0.65 0.02 0.00 -2.10 0.00 0.00 70.33 68.98 3hrz n THR 610 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hrz n ASN 611 N 1.45 -4.63 -4.49 3.42 4.13 0.16 -4.97 115.26 110.32 3hrz n ASN 611 Ca 0.21 -0.16 -0.43 0.00 1.68 0.00 0.00 54.58 55.88 3hrz n ASN 611 Cb 0.58 -3.55 -0.04 0.00 -1.54 0.00 0.00 39.78 35.23 3hrz n ASN 611 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3hrz s LEU 612 N -4.61 4.25 -0.05 3.41 2.96 -1.26 -4.92 118.68 118.46 3hrz s LEU 612 Ca 0.17 -0.69 0.05 0.00 -0.22 0.00 0.00 54.13 53.44 3hrz s LEU 612 Cb -0.07 -2.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 3hrz s LEU 612 CO 0.21 -1.33 -0.21 0.20 -1.32 0.00 0.00 176.35 173.89 3hrz s ASN 613 N 3.26 2.63 0.50 3.68 0.01 -1.26 -3.21 114.94 120.55 3hrz s ASN 613 Ca 0.26 -0.43 -0.21 0.00 -0.71 0.00 0.00 52.86 51.76 3hrz s ASN 613 Cb -0.15 -0.66 -0.06 0.00 0.41 0.00 0.00 41.25 40.79 3hrz s ASN 613 CO 0.14 0.21 1.18 0.42 -1.51 0.00 0.00 177.10 177.55 3hrz s THR 614 N -0.13 2.96 0.72 1.60 -4.23 -0.76 -5.00 115.64 110.80 3hrz s THR 614 Ca -0.02 0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 61.06 3hrz s THR 614 Cb -0.12 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.42 3hrz s THR 614 CO 0.02 -0.05 1.07 -1.59 -0.54 0.00 0.00 174.62 173.53 3hrz s LYS 615 N -2.93 2.71 0.43 3.99 -2.85 -1.26 -4.84 119.74 114.99 3hrz s LYS 615 Ca 0.68 0.93 -0.25 0.00 -1.00 0.00 0.00 55.97 56.33 3hrz s LYS 615 Cb -0.29 -1.97 -0.08 0.00 -2.06 0.00 0.00 37.83 33.43 3hrz s LYS 615 CO 0.34 -1.26 1.36 -0.65 0.10 0.00 0.00 175.35 175.24 3hrz s GLN 616 N -5.04 3.81 -0.06 1.78 -1.52 -1.26 -4.98 119.66 112.39 3hrz s GLN 616 Ca 0.59 2.27 -0.22 0.00 -1.95 0.00 0.00 55.36 56.04 3hrz s GLN 616 Cb -0.15 -2.69 -0.04 0.00 -0.22 0.00 0.00 33.01 29.92 3hrz s GLN 616 CO 0.55 -0.66 0.65 0.50 -0.25 0.00 0.00 175.29 176.07 3hrz s ARG 617 N -2.37 4.41 0.01 2.91 3.52 -1.26 -5.02 118.95 121.15 3hrz s ARG 617 Ca 0.59 0.79 -0.07 0.00 -0.13 0.00 0.00 55.73 56.91 3hrz s ARG 617 Cb -0.40 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 3hrz s ARG 617 CO 0.52 0.14 1.11 0.77 -0.81 0.00 0.00 175.30 177.03 3hrz h SER 618 N 6.52 -0.23 -4.68 -2.12 0.02 -1.96 -3.47 113.55 107.63 3hrz h SER 618 Ca -0.42 0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 60.29 3hrz h SER 618 Cb 1.19 0.06 -0.15 0.00 0.14 0.00 0.00 62.40 63.65 3hrz h SER 618 CO 0.74 -0.16 -0.67 0.00 -1.14 0.00 0.00 176.83 175.60 3hrz s ALA 619 N -3.60 1.18 0.48 3.77 0.00 -1.26 -5.02 121.76 117.31 3hrz s ALA 619 Ca -0.04 -1.52 0.23 0.00 0.00 0.00 0.00 51.96 50.64 3hrz s ALA 619 Cb 0.00 0.51 1.40 0.00 0.00 0.00 0.00 23.12 25.03 3hrz s ALA 619 CO 0.12 -0.33 2.10 0.00 0.00 0.00 0.00 175.76 177.65 3hrz h ALA 620 N 2.79 1.52 -2.64 0.00 0.00 -1.95 -3.42 119.26 115.55 3hrz h ALA 620 Ca -0.36 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 3hrz h ALA 620 Cb 1.19 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 3hrz h ALA 620 CO 0.63 0.12 0.08 0.15 0.00 0.00 0.00 179.25 180.23 3hrz s LYS 621 N -4.50 4.28 0.23 0.00 1.02 -1.26 -4.79 119.74 114.71 3hrz s LYS 621 Ca -0.04 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 56.31 3hrz s LYS 621 Cb 0.15 -3.53 -0.10 0.00 -0.52 0.00 0.00 37.83 33.83 3hrz s LYS 621 CO 0.61 -0.12 1.46 0.00 -0.92 0.00 0.00 175.35 176.38 3hrz n PRO 623 N 2.70 -0.01 0.00 0.00 -0.02 -1.26 -5.14 135.00 131.27 3hrz n PRO 623 Ca 0.08 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.58 3hrz n PRO 623 Cb 0.40 -1.12 0.11 0.00 -0.02 0.00 0.00 33.50 32.88 3hrz n PRO 623 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48