#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3min s GLN 3 N 0.00 0.30 -0.24 1.43 -1.52 -1.26 -4.96 119.66 113.41 3min s GLN 3 Ca 0.00 -0.37 -0.10 0.00 -1.95 0.00 0.00 55.36 52.94 3min s GLN 3 Cb 0.00 0.12 -0.05 0.00 -0.22 0.00 0.00 33.01 32.86 3min s GLN 3 CO 0.00 -0.06 0.14 -0.65 -0.25 0.00 0.00 175.29 174.47 3min s GLN 4 N -1.05 3.98 0.60 2.91 -0.21 -1.25 -4.99 119.66 119.64 3min s GLN 4 Ca -0.12 -0.32 0.35 0.00 0.02 0.00 0.00 55.36 55.30 3min s GLN 4 Cb -0.07 -3.49 1.90 0.00 1.00 0.00 0.00 33.01 32.35 3min s GLN 4 CO 0.00 0.01 2.06 -0.24 -2.12 0.00 0.00 175.29 175.00 3min h VAL 5 N 5.13 0.00 0.00 1.09 3.04 -2.01 0.11 116.25 123.61 3min h VAL 5 Ca -0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3min h VAL 5 Cb 1.17 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 3min h VAL 5 CO 0.63 0.00 -1.36 -0.90 -1.01 0.00 0.00 177.57 174.93 3min n ASP 6 N -2.84 0.48 -3.20 3.17 5.75 -1.26 -4.65 116.55 114.00 3min n ASP 6 Ca -0.02 -0.14 -0.23 0.00 -0.01 0.00 0.00 54.79 54.39 3min n ASP 6 Cb 0.18 1.18 -0.07 0.00 -1.03 0.00 0.00 41.12 41.39 3min n ASP 6 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3min n LYS 7 N -2.13 0.54 -2.57 0.11 4.81 0.01 -5.11 118.16 113.82 3min n LYS 7 Ca -0.00 -3.04 -0.41 0.00 -0.87 0.00 0.00 58.31 53.98 3min n LYS 7 Cb 0.49 -1.39 -0.04 0.00 0.02 0.00 0.00 35.03 34.11 3min n LYS 7 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3min s ILE 8 N -0.55 4.18 -0.25 3.15 1.01 -1.11 -3.96 121.20 123.67 3min s ILE 8 Ca 0.34 1.75 -0.10 0.00 0.00 0.00 0.00 60.65 62.63 3min s ILE 8 Cb 0.13 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3min s ILE 8 CO -0.15 0.24 0.16 -0.54 0.00 0.00 0.00 174.94 174.65 3min s LYS 9 N 0.18 4.00 1.11 2.79 1.02 -1.26 -5.04 119.74 122.55 3min s LYS 9 Ca 0.51 -0.30 -0.19 0.00 0.02 0.00 0.00 55.97 56.01 3min s LYS 9 Cb -0.27 -3.54 0.26 0.00 -0.52 0.00 0.00 37.83 33.76 3min s LYS 9 CO 0.32 -0.01 1.23 0.00 -0.92 0.00 0.00 175.35 175.97 3min s ALA 10 N 1.26 1.38 0.19 5.17 0.00 -1.26 -4.50 121.76 124.00 3min s ALA 10 Ca 0.07 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 3min s ALA 10 Cb -0.14 -2.79 0.25 0.00 0.00 0.00 0.00 23.12 20.44 3min s ALA 10 CO 0.06 -3.13 1.20 -1.13 0.00 0.00 0.00 175.76 172.76 3min n SER 11 N -4.34 -0.41 -4.51 0.00 3.41 -1.26 -1.40 113.62 105.12 3min n SER 11 Ca 0.16 1.33 -0.38 0.00 -0.26 0.00 0.00 58.87 59.72 3min n SER 11 Cb 0.59 -0.35 -0.12 0.00 -0.26 0.00 0.00 64.21 64.08 3min n SER 11 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3min s TYR 12 N -5.83 3.16 -2.59 7.33 5.04 -1.26 -1.50 117.35 121.71 3min s TYR 12 Ca -0.11 -0.23 0.24 0.00 -2.44 0.00 0.00 57.07 54.53 3min s TYR 12 Cb 0.18 -2.33 0.56 0.00 0.35 0.00 0.00 41.96 40.72 3min s TYR 12 CO 0.57 -0.30 1.47 -0.35 -1.34 0.00 0.00 175.55 175.59 3min n PRO 13 N 5.00 2.11 -0.34 4.97 -0.04 -1.02 -5.03 135.00 140.65 3min n PRO 13 Ca -0.15 -1.64 0.07 0.00 -0.04 0.00 0.00 63.50 61.74 3min n PRO 13 Cb 0.51 -1.46 0.15 0.00 -0.04 0.00 0.00 33.50 32.65 3min n PRO 13 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3min n LEU 14 N 0.91 -0.32 0.00 1.53 7.94 -0.49 -1.21 117.00 125.36 3min n LEU 14 Ca 0.17 1.64 0.04 0.00 -1.11 0.00 0.00 56.01 56.75 3min n LEU 14 Cb 0.49 -0.50 0.24 0.00 0.53 0.00 0.00 43.42 44.18 3min n LEU 14 CO 0.15 -1.58 0.61 0.49 -1.11 0.00 0.00 177.39 175.95 3min n PHE 15 N -5.54 0.00 0.06 1.96 3.72 -0.76 -1.58 117.46 115.31 3min n PHE 15 Ca 0.16 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.63 3min n PHE 15 Cb 0.50 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 3min n PHE 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3min n LEU 16 N -0.64 0.75 -4.62 4.37 4.77 -0.35 -4.12 117.00 117.15 3min n LEU 16 Ca 0.06 0.31 -0.47 0.00 -0.03 0.00 0.00 56.01 55.88 3min n LEU 16 Cb 0.03 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3min n LEU 16 CO 0.05 -0.03 0.83 0.47 -1.33 0.00 0.00 177.39 177.37 3min n ASP 17 N -2.71 1.94 -0.34 -1.43 8.00 -0.62 -4.54 116.55 116.85 3min n ASP 17 Ca -0.05 1.15 -0.04 0.00 0.71 0.00 0.00 54.79 56.56 3min n ASP 17 Cb 0.67 -1.31 -0.01 0.00 -0.02 0.00 0.00 41.12 40.45 3min n ASP 17 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3min n GLN 18 N 1.76 -0.26 0.04 -1.24 -0.06 -1.26 -0.44 117.38 115.93 3min n GLN 18 Ca 0.13 1.30 0.07 0.00 -2.00 0.00 0.00 57.00 56.50 3min n GLN 18 Cb 0.28 -1.93 0.49 0.00 -4.06 0.00 0.00 30.24 25.02 3min n GLN 18 CO 0.00 0.00 0.00 0.38 -0.20 0.00 0.00 177.06 177.24 3min h ASP 19 N 0.00 0.34 0.11 1.69 2.03 -1.97 0.17 116.42 118.80 3min h ASP 19 Ca 0.24 -0.01 -0.28 0.00 -0.73 0.00 0.00 57.03 56.25 3min h ASP 19 Cb 0.45 -0.08 0.02 0.00 -0.83 0.00 0.00 39.33 38.90 3min h ASP 19 CO -0.83 0.24 -1.15 1.88 -1.03 0.00 0.00 179.24 178.35 3min h TYR 20 N 0.40 0.98 -0.56 4.15 0.05 -1.06 -0.87 116.97 120.06 3min h TYR 20 Ca 0.14 -0.58 0.03 0.00 0.05 0.00 0.00 58.73 58.37 3min h TYR 20 Cb 0.08 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 37.69 3min h TYR 20 CO -0.00 1.42 0.33 -0.22 -1.05 0.00 0.00 178.16 178.64 3min h LYS 21 N 0.31 0.64 0.36 4.88 3.64 -0.34 0.24 116.57 126.31 3min h LYS 21 Ca -0.16 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3min h LYS 21 Cb 1.81 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 3min h LYS 21 CO 0.22 0.42 -0.17 -0.44 -2.27 0.00 0.00 179.45 177.21 3min h ASP 22 N 0.66 -0.41 -0.95 4.20 3.32 -1.00 -1.85 116.42 120.37 3min h ASP 22 Ca 0.23 -0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.39 3min h ASP 22 Cb 0.04 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.62 3min h ASP 22 CO -0.11 -0.27 0.59 -0.03 -1.72 0.00 0.00 179.24 177.69 3min h MET 23 N -0.52 0.92 0.00 3.56 4.05 -0.74 -0.69 114.93 121.51 3min h MET 23 Ca -0.05 -0.06 -0.14 0.00 -0.28 0.00 0.00 59.70 59.18 3min h MET 23 Cb 0.39 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 3min h MET 23 CO 0.08 0.61 -0.66 -0.07 0.23 0.00 0.00 176.91 177.10 3min h LEU 24 N 0.94 0.00 -0.35 3.39 3.38 -0.85 -2.52 115.31 119.31 3min h LEU 24 Ca 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 3min h LEU 24 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3min h LEU 24 CO -0.26 0.66 0.05 0.00 0.09 0.00 0.00 178.44 178.97 3min h ALA 25 N 1.34 0.46 -0.06 1.53 0.00 -0.30 -2.31 119.26 119.92 3min h ALA 25 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3min h ALA 25 Cb 1.26 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3min h ALA 25 CO 0.09 0.17 0.02 0.87 0.00 0.00 0.00 179.25 180.40 3min h LYS 26 N 0.41 0.09 -0.67 0.00 1.57 -1.24 -2.27 116.57 114.47 3min h LYS 26 Ca 0.10 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.00 3min h LYS 26 Cb 0.37 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.56 3min h LYS 26 CO 0.01 0.27 0.09 -0.22 -0.57 0.00 0.00 179.45 179.03 3min h LYS 27 N -0.10 0.19 0.00 3.15 3.64 -1.45 -1.86 116.57 120.13 3min h LYS 27 Ca 0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3min h LYS 27 Cb 0.22 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3min h LYS 27 CO -0.00 0.13 -0.00 -0.09 -2.27 0.00 0.00 179.45 177.22 3min h ARG 28 N 0.20 -0.00 -1.00 1.90 2.43 -1.31 -2.73 114.38 113.87 3min h ARG 28 Ca 0.36 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.76 3min h ARG 28 Cb 0.59 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.05 3min h ARG 28 CO -0.51 -0.00 0.63 -0.44 -1.51 0.00 0.00 179.97 178.14 3min h ASP 29 N -0.00 0.58 0.10 -3.80 3.32 -1.26 0.14 116.42 115.51 3min h ASP 29 Ca -0.00 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3min h ASP 29 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3min h ASP 29 CO 0.00 0.16 -0.05 1.23 -1.72 0.00 0.00 179.24 178.86 3min h GLY 30 N 0.54 -0.15 0.61 2.75 0.00 -1.44 -3.44 103.07 101.94 3min h GLY 30 Ca 0.58 0.05 -0.34 0.00 0.00 0.00 0.00 47.33 47.63 3min h GLY 30 CO -0.33 -0.05 -1.99 0.69 0.00 0.00 0.00 176.54 174.86 3min n PHE 31 N -3.46 0.81 0.24 5.60 3.72 -0.96 -4.36 117.46 119.06 3min n PHE 31 Ca -0.02 0.24 0.12 0.00 -0.05 0.00 0.00 57.45 57.74 3min n PHE 31 Cb 0.06 -1.13 0.54 0.00 -0.94 0.00 0.00 39.48 38.01 3min n PHE 31 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3min h GLU 32 N 0.02 0.00 -6.40 -1.08 5.08 -0.62 -3.47 114.58 108.11 3min h GLU 32 Ca -0.40 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.48 3min h GLU 32 Cb 2.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 3min h GLU 32 CO 0.06 0.17 -0.88 0.39 -1.00 0.00 0.00 179.01 177.75 3min n GLU 33 N -3.37 -3.45 -2.58 2.33 1.02 -1.25 -4.92 120.64 108.42 3min n GLU 33 Ca -0.00 0.45 -0.37 0.00 -0.02 0.00 0.00 57.16 57.22 3min n GLU 33 Cb 0.38 -4.62 -0.05 0.00 -0.02 0.00 0.00 31.44 27.13 3min n GLU 33 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3min s LYS 34 N -6.40 4.31 0.43 3.49 2.20 -1.26 -5.02 119.74 117.49 3min s LYS 34 Ca 0.04 1.52 -0.26 0.00 -0.36 0.00 0.00 55.97 56.90 3min s LYS 34 Cb -0.01 -2.68 -0.09 0.00 -1.51 0.00 0.00 37.83 33.53 3min s LYS 34 CO 0.87 -0.01 1.46 0.66 -0.36 0.00 0.00 175.35 177.97 3min n TYR 35 N 0.23 2.83 -2.02 4.03 4.02 -1.26 -4.93 117.16 120.06 3min n TYR 35 Ca 0.04 0.44 -0.41 0.00 -0.01 0.00 0.00 57.90 57.96 3min n TYR 35 Cb 0.49 -2.49 -0.01 0.00 -0.02 0.00 0.00 39.34 37.31 3min n TYR 35 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3min s PRO 36 N -2.34 4.23 0.35 -0.72 0.04 -1.26 -4.78 135.00 130.52 3min s PRO 36 Ca 0.58 2.31 0.17 0.00 0.04 0.00 0.00 61.00 64.10 3min s PRO 36 Cb -0.46 -3.00 1.19 0.00 0.04 0.00 0.00 34.50 32.27 3min s PRO 36 CO 0.60 -0.33 1.62 0.37 0.04 0.00 0.00 177.00 179.30 3min h GLN 37 N 3.17 0.17 -0.39 4.56 5.75 -1.99 0.43 115.11 126.81 3min h GLN 37 Ca -0.50 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 57.95 3min h GLN 37 Cb 1.23 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.72 3min h GLN 37 CO 0.65 0.11 0.06 0.38 -2.65 0.00 0.00 178.83 177.38 3min h ASP 38 N 0.18 0.54 -0.20 -0.69 2.03 -1.99 -0.14 116.42 116.14 3min h ASP 38 Ca 0.78 -0.09 -0.15 0.00 -0.73 0.00 0.00 57.03 56.83 3min h ASP 38 Cb 1.90 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 40.26 3min h ASP 38 CO -0.68 0.57 -0.48 0.50 -1.03 0.00 0.00 179.24 178.12 3min h LYS 39 N 0.57 0.68 -0.24 4.15 1.63 -0.52 -1.66 116.57 121.18 3min h LYS 39 Ca 0.13 -0.46 0.06 0.00 -0.85 0.00 0.00 60.65 59.52 3min h LYS 39 Cb 0.27 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.91 3min h LYS 39 CO 0.00 1.08 -0.13 0.82 -3.45 0.00 0.00 179.45 177.77 3min h ILE 40 N 0.38 0.60 -0.83 2.00 2.04 -0.99 0.48 117.51 121.18 3min h ILE 40 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3min h ILE 40 Cb 1.09 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 3min h ILE 40 CO 0.10 0.00 0.55 0.44 0.00 0.00 0.00 178.15 179.24 3min h ASP 41 N -0.11 0.96 -0.33 1.72 3.32 -0.98 -0.49 116.42 120.51 3min h ASP 41 Ca 0.13 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3min h ASP 41 Cb 0.31 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3min h ASP 41 CO -0.31 0.70 0.18 -0.08 -1.72 0.00 0.00 179.24 178.01 3min h GLU 42 N 1.13 0.47 -0.58 3.56 4.81 -0.29 -1.05 114.58 122.62 3min h GLU 42 Ca 0.30 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 3min h GLU 42 Cb -0.12 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3min h GLU 42 CO -0.06 0.39 0.10 0.28 -0.73 0.00 0.00 179.01 178.99 3min h VAL 43 N 0.41 1.26 -0.37 0.32 2.07 -0.65 -1.14 116.25 118.15 3min h VAL 43 Ca 0.12 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.69 3min h VAL 43 Cb 0.07 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3min h VAL 43 CO -0.02 0.36 0.18 0.15 0.02 0.00 0.00 177.57 178.26 3min h PHE 44 N 0.87 0.34 -0.42 1.57 3.57 -0.76 0.19 116.94 122.29 3min h PHE 44 Ca 0.18 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3min h PHE 44 Cb 0.41 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3min h PHE 44 CO 0.03 0.18 0.05 1.96 -2.23 0.00 0.00 178.31 178.30 3min h GLN 45 N 0.37 0.65 -0.68 1.11 1.08 -0.91 -1.77 115.11 114.95 3min h GLN 45 Ca 0.16 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 3min h GLN 45 Cb 0.07 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3min h GLN 45 CO -0.11 0.64 0.27 2.35 -0.95 0.00 0.00 178.83 181.03 3min h TRP 46 N 0.63 1.02 0.00 2.96 7.01 0.02 -2.28 115.95 125.30 3min h TRP 46 Ca 0.14 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.07 3min h TRP 46 Cb 0.32 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.07 3min h TRP 46 CO 0.01 0.78 0.00 0.25 -2.79 0.00 0.00 178.44 176.69 3min n THR 47 N -4.30 0.79 0.94 2.65 -2.24 -0.07 -1.77 114.28 110.29 3min n THR 47 Ca 0.06 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 3min n THR 47 Cb 0.18 -1.06 0.37 0.00 -2.10 0.00 0.00 70.33 67.71 3min n THR 47 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3min n THR 48 N -2.23 0.06 -2.00 4.28 -2.24 -0.87 -4.78 114.28 106.51 3min n THR 48 Ca 0.03 -0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 3min n THR 48 Cb 0.26 -0.06 0.03 0.00 -2.10 0.00 0.00 70.33 68.46 3min n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3min s THR 49 N -3.02 4.12 0.49 4.28 -4.23 -0.73 -4.34 115.64 112.20 3min s THR 49 Ca 0.11 0.57 0.20 0.00 -1.18 0.00 0.00 61.69 61.39 3min s THR 49 Cb 0.17 -3.67 0.25 0.00 1.34 0.00 0.00 72.50 70.60 3min s THR 49 CO 0.64 -0.84 2.09 0.50 -0.54 0.00 0.00 174.62 176.48 3min h LYS 50 N -0.39 0.00 0.41 3.99 3.64 -1.93 -1.66 116.57 120.63 3min h LYS 50 Ca -0.45 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 3min h LYS 50 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3min h LYS 50 CO 0.63 0.09 -0.20 0.93 -2.27 0.00 0.00 179.45 178.63 3min h GLU 51 N 0.00 -0.53 -0.83 1.90 3.07 -1.92 -2.22 114.58 114.05 3min h GLU 51 Ca -0.00 0.04 0.08 0.00 -0.50 0.00 0.00 59.36 58.97 3min h GLU 51 Cb 0.19 0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.15 3min h GLU 51 CO 0.01 -0.23 0.49 -0.92 -1.40 0.00 0.00 179.01 176.96 3min h TYR 52 N -0.81 0.90 -0.46 4.33 3.20 -1.69 -2.24 116.97 120.20 3min h TYR 52 Ca -0.06 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.88 3min h TYR 52 Cb 0.54 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 3min h TYR 52 CO 0.01 0.41 0.22 0.37 -1.64 0.00 0.00 178.16 177.53 3min h GLN 53 N 0.86 0.43 -0.93 1.82 4.15 -1.13 -0.43 115.11 119.88 3min h GLN 53 Ca 0.38 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.77 3min h GLN 53 Cb 0.27 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 3min h GLN 53 CO -0.21 0.29 0.57 0.93 -1.93 0.00 0.00 178.83 178.47 3min h GLU 54 N 0.45 1.27 -0.29 1.69 5.08 -0.79 -0.39 114.58 121.59 3min h GLU 54 Ca 0.20 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3min h GLU 54 Cb 0.11 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3min h GLU 54 CO -0.15 0.88 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.59 3min h LEU 55 N 1.29 0.58 -0.56 1.33 3.38 -1.26 -3.00 115.31 117.06 3min h LEU 55 Ca 0.34 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 58.01 3min h LEU 55 Cb -0.06 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 3min h LEU 55 CO -0.06 0.82 0.24 -1.13 0.09 0.00 0.00 178.44 178.39 3min h ASN 56 N 0.33 0.28 0.12 -0.43 -0.73 -0.71 -0.09 115.58 114.35 3min h ASN 56 Ca 0.07 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.30 3min h ASN 56 Cb 0.57 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.18 3min h ASN 56 CO 0.03 0.18 0.00 0.49 -0.37 0.00 0.00 177.43 177.76 3min n PHE 57 N -4.95 0.00 1.13 0.67 3.01 -0.19 -2.16 117.46 114.97 3min n PHE 57 Ca 0.07 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.65 3min n PHE 57 Cb 0.21 -0.09 0.20 0.00 -0.01 0.00 0.00 39.48 39.79 3min n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3min n GLN 58 N -1.09 0.93 -1.68 -1.08 6.02 -0.05 -4.94 117.38 115.49 3min n GLN 58 Ca 0.14 -0.66 -0.47 0.00 -0.01 0.00 0.00 57.00 55.99 3min n GLN 58 Cb 0.10 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 3min n GLN 58 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3min n ARG 59 N -0.46 2.17 -0.08 -1.09 1.74 -0.92 -4.87 116.66 113.16 3min n ARG 59 Ca 0.10 0.79 -0.10 0.00 -0.77 0.00 0.00 57.85 57.88 3min n ARG 59 Cb 0.40 -2.61 -0.10 0.00 -1.02 0.00 0.00 32.46 29.13 3min n ARG 59 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3min n GLU 60 N 5.27 1.12 -0.02 5.56 1.02 -1.26 -4.87 120.64 127.46 3min n GLU 60 Ca 0.20 0.04 0.01 0.00 -0.02 0.00 0.00 57.16 57.40 3min n GLU 60 Cb 0.29 -1.37 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 3min n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3min n ALA 61 N -2.76 2.12 -2.80 0.62 0.00 -1.26 -4.98 120.51 111.45 3min n ALA 61 Ca -0.28 -0.40 -0.35 0.00 0.00 0.00 0.00 53.44 52.41 3min n ALA 61 Cb 0.92 -0.18 -0.08 0.00 0.00 0.00 0.00 19.45 20.10 3min n ALA 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3min s LEU 62 N -4.12 4.00 -0.07 0.00 2.96 -1.26 -5.08 118.68 115.11 3min s LEU 62 Ca -0.04 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3min s LEU 62 Cb 0.05 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3min s LEU 62 CO 0.41 0.28 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.72 3min s THR 63 N -0.25 3.37 -0.08 3.68 2.01 -1.26 -4.93 115.64 118.18 3min s THR 63 Ca 0.09 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.50 3min s THR 63 Cb -0.12 -2.36 0.02 0.00 0.01 0.00 0.00 72.50 70.05 3min s THR 63 CO 0.01 0.58 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.76 3min s VAL 64 N -0.61 0.90 -0.95 3.82 1.01 -1.26 -4.89 120.40 118.42 3min s VAL 64 Ca 0.09 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 3min s VAL 64 Cb -0.11 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 3min s VAL 64 CO 0.01 0.32 0.74 0.59 0.00 0.00 0.00 175.10 176.77 3min n ASN 65 N 4.37 -6.14 -4.70 3.32 3.02 -1.26 -3.17 115.26 110.70 3min n ASN 65 Ca -0.18 -0.69 -0.31 0.00 -0.03 0.00 0.00 54.58 53.37 3min n ASN 65 Cb 0.51 -3.83 0.14 0.00 -0.61 0.00 0.00 39.78 35.98 3min n ASN 65 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3min s PRO 66 N -4.69 1.43 -0.44 3.52 0.04 -1.26 -1.20 135.00 132.40 3min s PRO 66 Ca 0.24 1.46 0.09 0.00 0.04 0.00 0.00 61.00 62.83 3min s PRO 66 Cb -0.07 -1.78 0.40 0.00 0.04 0.00 0.00 34.50 33.08 3min s PRO 66 CO 0.82 -2.31 0.97 0.00 0.04 0.00 0.00 177.00 176.53 3min n ALA 67 N -3.94 4.13 -3.52 8.56 0.00 -1.26 -4.81 120.51 119.67 3min n ALA 67 Ca 0.11 -4.01 -0.09 0.00 0.00 0.00 0.00 53.44 49.44 3min n ALA 67 Cb 0.52 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 3min n ALA 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3min s LYS 68 N -3.26 0.80 0.23 0.00 -2.85 -1.26 -4.44 119.74 108.97 3min s LYS 68 Ca 0.42 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 55.21 3min s LYS 68 Cb 0.38 0.37 -0.00 0.00 -2.06 0.00 0.00 37.83 36.52 3min s LYS 68 CO -0.11 -0.33 0.00 0.00 0.10 0.00 0.00 175.35 175.02 3min n ALA 69 N 0.01 0.20 -2.81 0.59 0.00 -1.26 -5.03 120.51 112.21 3min n ALA 69 Ca -0.10 -1.05 -0.24 0.00 0.00 0.00 0.00 53.44 52.05 3min n ALA 69 Cb 0.61 0.58 -0.02 0.00 0.00 0.00 0.00 19.45 20.62 3min n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3min h GLN 71 N 1.37 -0.10 -0.20 0.00 4.20 -1.80 -2.41 115.11 116.17 3min h GLN 71 Ca -0.50 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.28 3min h GLN 71 Cb 1.21 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 3min h GLN 71 CO 0.64 -0.07 0.20 -1.00 -0.67 0.00 0.00 178.83 177.94 3min h PRO 72 N -0.10 0.00 -0.74 1.46 0.13 -1.80 -0.29 132.00 130.66 3min h PRO 72 Ca 0.27 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.42 3min h PRO 72 Cb 0.57 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.66 3min h PRO 72 CO -0.81 0.00 0.49 1.25 -0.23 0.00 0.00 178.00 178.70 3min h LEU 73 N 0.00 0.82 -0.17 1.56 5.85 -1.76 -0.88 115.31 120.73 3min h LEU 73 Ca 0.09 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 3min h LEU 73 Cb 0.50 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.34 3min h LEU 73 CO -0.00 0.58 -0.59 1.23 -0.34 0.00 0.00 178.44 179.32 3min h GLY 74 N 0.96 0.77 1.02 3.75 0.00 -1.11 -2.63 103.07 105.82 3min h GLY 74 Ca 0.28 -1.02 -0.00 0.00 0.00 0.00 0.00 47.33 46.59 3min h GLY 74 CO -0.07 0.91 0.55 0.00 0.00 0.00 0.00 176.54 177.93 3min h ALA 75 N 0.56 1.14 -0.19 3.60 0.00 -1.20 0.20 119.26 123.38 3min h ALA 75 Ca -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3min h ALA 75 Cb 1.21 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3min h ALA 75 CO 0.12 0.59 0.11 0.28 0.00 0.00 0.00 179.25 180.36 3min h VAL 76 N 1.23 1.08 -0.64 0.00 2.07 -1.13 0.11 116.25 118.97 3min h VAL 76 Ca 0.32 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 3min h VAL 76 Cb -0.07 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3min h VAL 76 CO -0.06 0.08 0.32 0.25 0.02 0.00 0.00 177.57 178.18 3min h LEU 77 N 0.22 0.83 -0.09 2.57 5.85 -1.07 -0.16 115.31 123.46 3min h LEU 77 Ca 0.07 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3min h LEU 77 Cb 0.02 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3min h LEU 77 CO -0.01 0.71 0.01 0.00 -0.34 0.00 0.00 178.44 178.81 3min h ALA 79 N 1.07 1.02 0.00 0.00 0.00 -0.41 -1.68 119.26 119.27 3min h ALA 79 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3min h ALA 79 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3min h ALA 79 CO -0.06 0.42 0.01 -0.07 0.00 0.00 0.00 179.25 179.55 3min h LEU 80 N 1.08 0.00 -0.13 0.00 3.38 -0.90 -2.04 115.31 116.70 3min h LEU 80 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3min h LEU 80 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3min h LEU 80 CO -0.07 0.00 -0.00 0.61 0.09 0.00 0.00 178.44 179.07 3min n GLY 81 N -1.24 -0.87 3.75 0.83 0.00 -0.63 -4.59 105.19 102.44 3min n GLY 81 Ca -0.02 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 3min n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3min s PHE 82 N -2.01 3.17 0.06 1.61 0.40 -0.77 -0.96 117.98 119.47 3min s PHE 82 Ca 0.46 0.09 -0.33 0.00 -0.60 0.00 0.00 56.93 56.55 3min s PHE 82 Cb 0.22 -1.63 -0.12 0.00 0.51 0.00 0.00 43.02 41.99 3min s PHE 82 CO 0.37 0.51 1.77 -1.91 0.70 0.00 0.00 175.22 176.66 3min n GLU 83 N 0.70 2.35 -4.31 0.44 2.13 -0.01 -2.50 120.64 119.44 3min n GLU 83 Ca -0.10 0.86 -0.37 0.00 0.66 0.00 0.00 57.16 58.21 3min n GLU 83 Cb 0.52 -2.69 -0.05 0.00 0.27 0.00 0.00 31.44 29.49 3min n GLU 83 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3min n LYS 84 N 5.31 -2.14 -3.89 5.31 5.02 -1.26 -4.63 118.16 121.88 3min n LYS 84 Ca 0.19 0.27 -0.36 0.00 -2.02 0.00 0.00 58.31 56.39 3min n LYS 84 Cb 0.32 -4.75 -0.07 0.00 -0.02 0.00 0.00 35.03 30.50 3min n LYS 84 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3min s THR 85 N -3.47 5.29 -0.27 -0.18 2.01 -1.04 -0.36 115.64 117.62 3min s THR 85 Ca 0.61 0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.63 3min s THR 85 Cb -0.35 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 3min s THR 85 CO 0.96 0.54 0.23 -0.32 -0.69 0.00 0.00 174.62 175.35 3min s MET 86 N -0.39 3.99 0.29 4.92 1.75 -0.46 -4.78 119.30 124.62 3min s MET 86 Ca 0.11 -0.21 -0.29 0.00 -1.25 0.00 0.00 55.69 54.04 3min s MET 86 Cb -0.12 -3.63 -0.10 0.00 2.84 0.00 0.00 34.83 33.82 3min s MET 86 CO 0.01 -0.16 1.43 -2.14 -0.65 0.00 0.00 175.02 173.52 3min s PRO 87 N 1.70 4.25 -0.06 4.11 0.02 -1.26 -1.72 135.00 142.04 3min s PRO 87 Ca 0.09 2.35 -0.01 0.00 0.02 0.00 0.00 61.00 63.45 3min s PRO 87 Cb -0.15 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.32 3min s PRO 87 CO 0.10 -0.40 0.02 -0.47 -0.33 0.00 0.00 177.00 175.91 3min s TYR 88 N -0.42 0.48 -0.28 6.54 6.14 -0.49 -1.58 117.35 127.73 3min s TYR 88 Ca 0.56 -0.04 -0.06 0.00 0.64 0.00 0.00 57.07 58.18 3min s TYR 88 Cb -0.43 -0.70 0.01 0.00 0.42 0.00 0.00 41.96 41.27 3min s TYR 88 CO 0.49 -0.28 0.05 0.08 0.64 0.00 0.00 175.55 176.52 3min s VAL 89 N 2.01 3.75 -0.28 3.14 1.01 -0.42 -1.02 120.40 128.59 3min s VAL 89 Ca 0.05 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 3min s VAL 89 Cb -0.12 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.34 3min s VAL 89 CO -0.04 0.11 1.00 -2.28 0.00 0.00 0.00 175.10 173.88 3min s HIS 90 N 1.46 3.23 -1.82 5.22 2.46 0.09 -3.22 115.29 122.71 3min s HIS 90 Ca 0.02 1.22 0.00 0.00 0.47 0.00 0.00 55.06 56.77 3min s HIS 90 Cb -0.17 -3.43 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 3min s HIS 90 CO 0.01 -0.61 0.00 0.41 -2.47 0.00 0.00 174.74 172.08 3min n GLY 91 N 3.74 0.10 3.78 1.59 0.00 -1.26 -2.03 105.19 111.11 3min n GLY 91 Ca 0.10 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 3min n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3min s SER 92 N -4.00 6.88 0.60 1.61 1.04 -1.26 -1.19 113.70 117.39 3min s SER 92 Ca 0.00 1.05 0.32 0.00 0.48 0.00 0.00 55.95 57.80 3min s SER 92 Cb 0.00 -2.32 1.90 0.00 0.10 0.00 0.00 66.02 65.70 3min s SER 92 CO 0.00 0.17 2.25 0.06 0.98 0.00 0.00 173.24 176.70 3min h GLN 93 N 5.43 0.00 -0.89 4.02 3.07 -1.90 -2.93 115.11 121.91 3min h GLN 93 Ca -0.47 0.00 0.14 0.00 0.09 0.00 0.00 58.65 58.42 3min h GLN 93 Cb 1.20 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.67 3min h GLN 93 CO 0.68 0.00 0.49 0.78 0.09 0.00 0.00 178.83 180.87 3min h GLY 94 N 0.00 1.46 0.98 0.06 0.00 -1.97 -2.08 103.07 101.53 3min h GLY 94 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3min h GLY 94 CO -0.00 -0.00 0.14 0.00 0.00 0.00 0.00 176.54 176.68 3min h VAL 96 N 0.28 1.23 -0.65 0.00 2.07 -1.57 0.31 116.25 117.91 3min h VAL 96 Ca 0.08 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 67.03 3min h VAL 96 Cb -0.02 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 3min h VAL 96 CO -0.03 0.27 0.32 0.00 0.02 0.00 0.00 177.57 178.15 3min h ALA 97 N 1.15 0.88 -0.50 1.67 0.00 -1.14 -1.24 119.26 120.07 3min h ALA 97 Ca 0.23 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 3min h ALA 97 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3min h ALA 97 CO -0.03 -0.07 -0.12 1.88 0.00 0.00 0.00 179.25 180.91 3min h TYR 98 N 0.56 1.09 -0.49 0.00 0.05 -0.81 -1.93 116.97 115.44 3min h TYR 98 Ca 0.31 -0.24 -0.09 0.00 0.05 0.00 0.00 58.73 58.77 3min h TYR 98 Cb 0.30 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 3min h TYR 98 CO -0.11 1.04 -0.03 0.74 -1.05 0.00 0.00 178.16 178.74 3min h PHE 99 N 0.83 0.97 -0.11 4.88 0.04 -0.52 -1.77 116.94 121.25 3min h PHE 99 Ca 0.13 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 3min h PHE 99 Cb 0.69 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 3min h PHE 99 CO 0.05 0.92 -0.01 0.00 -0.60 0.00 0.00 178.31 178.67 3min h ARG 100 N 0.74 0.20 -0.82 1.51 3.08 -1.22 -2.71 114.38 115.16 3min h ARG 100 Ca 0.13 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.17 3min h ARG 100 Cb 0.56 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 3min h ARG 100 CO 0.03 0.47 0.51 0.77 -1.07 0.00 0.00 179.97 180.68 3min h SER 101 N -0.09 0.80 -0.33 7.04 0.02 -1.26 0.57 113.55 120.31 3min h SER 101 Ca 0.03 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3min h SER 101 Cb 0.39 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3min h SER 101 CO 0.01 0.53 0.17 0.22 -1.14 0.00 0.00 176.83 176.62 3min h TYR 102 N 0.94 0.46 -0.09 3.45 3.20 -1.27 -1.17 116.97 122.48 3min h TYR 102 Ca 0.35 -0.02 -0.20 0.00 3.14 0.00 0.00 58.73 62.00 3min h TYR 102 Cb 0.12 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3min h TYR 102 CO -0.04 0.38 -0.77 0.74 -1.64 0.00 0.00 178.16 176.84 3min h PHE 103 N 0.40 0.71 -0.32 -3.82 0.04 -1.26 -2.93 116.94 109.77 3min h PHE 103 Ca 0.11 -0.32 0.07 0.00 2.80 0.00 0.00 57.97 60.63 3min h PHE 103 Cb 0.08 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.05 3min h PHE 103 CO -0.02 1.11 -0.17 -0.91 -0.60 0.00 0.00 178.31 177.72 3min h ASN 104 N 0.35 -0.56 -0.72 2.17 2.35 -0.68 -0.53 115.58 117.96 3min h ASN 104 Ca -0.04 0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3min h ASN 104 Cb 1.37 0.30 -0.04 0.00 0.05 0.00 0.00 38.32 40.00 3min h ASN 104 CO 0.14 -0.20 0.45 0.03 -1.65 0.00 0.00 177.43 176.20 3min h ARG 105 N -0.12 0.98 -0.03 0.81 -0.00 -1.18 0.35 114.38 115.19 3min h ARG 105 Ca 0.17 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.98 59.43 3min h ARG 105 Cb 0.37 -0.21 0.01 0.00 0.00 0.00 0.00 29.97 30.14 3min h ARG 105 CO -0.40 0.67 -0.53 1.25 0.00 0.00 0.00 179.97 180.97 3min h HIS 106 N 1.00 0.60 0.00 3.04 2.76 -1.22 -3.37 115.15 117.96 3min h HIS 106 Ca 0.26 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 3min h HIS 106 Cb -0.06 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 28.82 3min h HIS 106 CO 0.00 1.10 -1.00 1.19 -1.30 0.00 0.00 177.93 177.92 3min n PHE 107 N -4.26 0.42 -3.76 5.26 3.72 -0.26 -4.62 117.46 113.96 3min n PHE 107 Ca -0.10 0.12 -0.23 0.00 -0.05 0.00 0.00 57.45 57.20 3min n PHE 107 Cb 0.63 -0.57 0.02 0.00 -0.94 0.00 0.00 39.48 38.62 3min n PHE 107 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3min n ARG 108 N -2.12 -4.17 -4.04 -1.08 1.74 0.12 -5.00 116.66 102.11 3min n ARG 108 Ca 0.02 0.56 -0.09 0.00 -0.77 0.00 0.00 57.85 57.57 3min n ARG 108 Cb 0.46 -4.95 -0.09 0.00 -1.02 0.00 0.00 32.46 26.87 3min n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3min s GLU 109 N -6.09 0.84 0.64 5.56 0.41 -1.23 -5.07 118.70 113.76 3min s GLU 109 Ca 0.04 -1.22 -0.18 0.00 -0.41 0.00 0.00 54.97 53.20 3min s GLU 109 Cb -0.01 0.27 -0.01 0.00 -1.78 0.00 0.00 34.13 32.60 3min s GLU 109 CO 0.83 -0.24 1.26 -2.14 -0.49 0.00 0.00 175.26 174.49 3min s PRO 110 N -3.95 2.62 -0.18 0.39 0.02 -1.26 -4.45 135.00 128.19 3min s PRO 110 Ca 0.13 1.96 -0.04 0.00 0.02 0.00 0.00 61.00 63.08 3min s PRO 110 Cb 0.06 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.78 3min s PRO 110 CO -0.05 -1.52 0.06 0.08 -0.33 0.00 0.00 177.00 175.24 3min s VAL 111 N -1.52 0.19 -0.19 3.83 1.01 -1.26 -4.93 120.40 117.53 3min s VAL 111 Ca 0.80 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 3min s VAL 111 Cb -0.35 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3min s VAL 111 CO 0.38 -0.23 0.13 -0.44 0.00 0.00 0.00 175.10 174.94 3min s SER 112 N 2.01 6.18 -0.12 3.32 0.01 -1.26 -4.89 113.70 118.95 3min s SER 112 Ca 0.01 0.24 -0.29 0.00 1.31 0.00 0.00 55.95 57.21 3min s SER 112 Cb -0.16 -2.08 0.08 0.00 0.21 0.00 0.00 66.02 64.07 3min s SER 112 CO -0.08 0.20 0.74 0.00 0.41 0.00 0.00 173.24 174.51 3min s VAL 114 N -0.80 1.36 0.19 0.00 -7.23 -0.62 -5.03 120.40 108.28 3min s VAL 114 Ca -0.07 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.16 3min s VAL 114 Cb -0.01 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.08 3min s VAL 114 CO 0.06 0.00 -0.10 -0.55 -0.31 0.00 0.00 175.10 174.20 3min s SER 115 N -3.57 2.18 -0.14 4.85 0.15 -1.26 -1.30 113.70 114.62 3min s SER 115 Ca 0.34 -1.06 0.16 0.00 0.70 0.00 0.00 55.95 56.10 3min s SER 115 Cb 0.08 -0.07 0.65 0.00 -1.71 0.00 0.00 66.02 64.97 3min s SER 115 CO 0.16 -0.30 1.56 -0.90 1.20 0.00 0.00 173.24 174.96 3min n ASP 116 N -0.33 4.54 -3.80 5.45 5.68 -1.20 -4.93 116.55 121.96 3min n ASP 116 Ca -0.08 -2.60 -0.33 0.00 -0.50 0.00 0.00 54.79 51.27 3min n ASP 116 Cb 0.61 -0.55 0.03 0.00 -1.14 0.00 0.00 41.12 40.07 3min n ASP 116 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3min n SER 117 N 0.61 -4.29 -4.73 -1.12 7.64 -1.18 -4.85 113.62 105.71 3min n SER 117 Ca 0.24 -1.07 -0.42 0.00 1.01 0.00 0.00 58.87 58.63 3min n SER 117 Cb 0.89 -3.01 -0.03 0.00 -1.01 0.00 0.00 64.21 61.05 3min n SER 117 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3min s MET 118 N -6.34 4.38 0.20 1.43 -1.94 -0.33 -4.89 119.30 111.79 3min s MET 118 Ca 0.40 2.03 0.01 0.00 -1.71 0.00 0.00 55.69 56.42 3min s MET 118 Cb -0.16 -3.22 0.01 0.00 2.01 0.00 0.00 34.83 33.46 3min s MET 118 CO 0.89 -0.30 0.04 0.25 -0.01 0.00 0.00 175.02 175.89 3min n THR 119 N 3.09 0.00 -0.32 2.05 -2.24 -1.26 -4.32 114.28 111.28 3min n THR 119 Ca 0.08 -0.88 0.19 0.00 -2.27 0.00 0.00 64.05 61.16 3min n THR 119 Cb 0.43 0.04 0.39 0.00 -2.10 0.00 0.00 70.33 69.09 3min n THR 119 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3min h GLU 120 N 0.00 0.31 -0.23 -0.78 3.07 -2.00 -1.62 114.58 113.32 3min h GLU 120 Ca -0.15 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.74 3min h GLU 120 Cb 0.48 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.27 3min h GLU 120 CO 0.25 0.20 -0.10 -0.44 -1.40 0.00 0.00 179.01 177.53 3min h ASP 121 N 0.32 -0.32 0.40 1.42 3.32 -1.99 -1.29 116.42 118.27 3min h ASP 121 Ca 0.65 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.77 3min h ASP 121 Cb 1.38 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 41.12 3min h ASP 121 CO -0.61 -0.12 -0.04 0.00 -1.72 0.00 0.00 179.24 176.75 3min h ALA 122 N 1.15 1.10 0.00 3.45 0.00 -1.54 -1.26 119.26 122.15 3min h ALA 122 Ca 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3min h ALA 122 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3min h ALA 122 CO -0.27 0.04 -0.31 0.00 0.00 0.00 0.00 179.25 178.71 3min h ALA 123 N 1.96 1.24 0.02 0.00 0.00 -1.10 0.48 119.26 121.86 3min h ALA 123 Ca -0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 54.91 54.30 3min h ALA 123 Cb 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3min h ALA 123 CO 0.00 0.39 -1.93 0.28 0.00 0.00 0.00 179.25 178.00 3min n VAL 124 N -3.81 1.58 0.07 0.00 0.31 -0.50 -4.55 118.33 111.43 3min n VAL 124 Ca -0.01 -0.78 0.03 0.00 -0.01 0.00 0.00 64.34 63.57 3min n VAL 124 Cb 0.40 -1.02 0.06 0.00 -0.91 0.00 0.00 33.84 32.37 3min n VAL 124 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3min n PHE 125 N -3.04 0.14 0.00 3.52 3.72 -1.05 -5.12 117.46 115.62 3min n PHE 125 Ca -0.24 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 56.90 3min n PHE 125 Cb 1.07 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 3min n PHE 125 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3min n GLY 126 N 0.21 -0.95 1.68 1.37 0.00 0.17 -4.78 105.19 102.88 3min n GLY 126 Ca 0.05 -1.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 3min n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3min n GLY 127 N -0.82 4.82 0.16 -0.02 0.00 -1.26 -4.58 105.19 103.50 3min n GLY 127 Ca 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 3min n GLY 127 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3min h GLN 128 N 1.07 -0.32 -0.26 1.61 5.75 -1.96 -2.37 115.11 118.62 3min h GLN 128 Ca 0.42 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.99 3min h GLN 128 Cb 2.13 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 30.74 3min h GLN 128 CO 0.75 -0.11 0.18 0.37 -2.65 0.00 0.00 178.83 177.37 3min h GLN 129 N -0.46 0.12 -0.54 1.69 5.75 -1.97 0.10 115.11 119.80 3min h GLN 129 Ca -0.03 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 3min h GLN 129 Cb 0.35 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 3min h GLN 129 CO 0.06 0.08 0.15 -0.91 -2.65 0.00 0.00 178.83 175.56 3min h ASN 130 N 0.13 0.80 -0.33 -0.69 2.35 -1.82 0.19 115.58 116.20 3min h ASN 130 Ca 0.12 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.57 3min h ASN 130 Cb 0.32 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3min h ASN 130 CO -0.02 0.81 -0.12 -0.03 -1.65 0.00 0.00 177.43 176.43 3min h MET 131 N 0.75 0.66 0.42 0.81 4.05 -0.35 0.21 114.93 121.48 3min h MET 131 Ca 0.17 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 3min h MET 131 Cb 0.31 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 3min h MET 131 CO -0.00 0.85 -0.23 0.87 0.23 0.00 0.00 176.91 178.63 3min h LYS 132 N 0.43 -0.58 -0.35 0.39 1.57 -0.80 -1.70 116.57 115.53 3min h LYS 132 Ca 0.08 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3min h LYS 132 Cb 0.63 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 3min h LYS 132 CO 0.04 -0.38 0.15 -0.44 -0.57 0.00 0.00 179.45 178.24 3min h ASP 133 N -0.60 0.43 0.72 0.86 3.32 -1.05 -2.95 116.42 117.16 3min h ASP 133 Ca -0.06 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 3min h ASP 133 Cb 0.47 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.92 3min h ASP 133 CO 0.07 0.39 -0.35 1.23 -1.72 0.00 0.00 179.24 178.87 3min h GLY 134 N 0.63 -1.01 0.74 2.75 0.00 -0.54 0.25 103.07 105.89 3min h GLY 134 Ca 0.12 0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.86 3min h GLY 134 CO -0.01 -0.37 0.17 1.41 0.00 0.00 0.00 176.54 177.74 3min h LEU 135 N -1.00 0.22 -0.14 3.11 3.38 -1.30 0.22 115.31 119.80 3min h LEU 135 Ca -0.10 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3min h LEU 135 Cb 0.75 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3min h LEU 135 CO 0.16 0.17 0.05 -0.61 0.09 0.00 0.00 178.44 178.30 3min h GLN 136 N 0.35 0.12 -0.47 1.13 4.15 -1.48 0.55 115.11 119.47 3min h GLN 136 Ca 0.17 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 3min h GLN 136 Cb 0.11 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3min h GLN 136 CO -0.15 0.08 0.17 -0.91 -1.93 0.00 0.00 178.83 176.09 3min h ASN 137 N 0.13 0.67 -0.11 -0.69 2.35 -0.67 -1.62 115.58 115.63 3min h ASN 137 Ca 0.06 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3min h ASN 137 Cb 0.02 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 3min h ASN 137 CO -0.05 0.67 0.02 0.00 -1.65 0.00 0.00 177.43 176.42 3min h LYS 139 N -0.04 0.26 -0.50 0.00 3.64 -0.73 0.48 116.57 119.68 3min h LYS 139 Ca 0.03 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3min h LYS 139 Cb 0.26 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3min h LYS 139 CO 0.00 0.18 -0.16 0.00 -2.27 0.00 0.00 179.45 177.20 3min h ALA 140 N 1.14 0.70 0.07 5.00 0.00 -1.24 -1.64 119.26 123.29 3min h ALA 140 Ca 0.11 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 3min h ALA 140 Cb 0.04 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.67 3min h ALA 140 CO -0.08 0.65 -0.72 1.15 0.00 0.00 0.00 179.25 180.25 3min h THR 141 N 0.86 1.47 -0.00 0.00 2.02 -0.76 -3.37 112.91 113.12 3min h THR 141 Ca 0.12 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 65.00 3min h THR 141 Cb 0.73 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 3min h THR 141 CO 0.06 0.66 -0.73 -1.22 0.37 0.00 0.00 175.52 174.66 3min n TYR 142 N -4.17 0.00 -3.92 3.16 4.01 0.13 -5.03 117.16 111.34 3min n TYR 142 Ca -0.12 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.33 3min n TYR 142 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.77 3min n TYR 142 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3min n LYS 143 N -1.16 -2.30 -1.52 -0.72 5.02 -0.61 -4.98 118.16 111.89 3min n LYS 143 Ca 0.04 0.36 -0.31 0.00 -2.02 0.00 0.00 58.31 56.38 3min n LYS 143 Cb 0.29 -4.16 0.06 0.00 -0.02 0.00 0.00 35.03 31.20 3min n LYS 143 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3min s PRO 144 N -6.56 2.76 0.27 1.97 0.04 -1.26 -4.96 135.00 127.25 3min s PRO 144 Ca 0.17 1.05 0.23 0.00 0.04 0.00 0.00 61.00 62.49 3min s PRO 144 Cb -0.07 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.64 3min s PRO 144 CO 0.90 -1.25 1.23 -0.44 0.04 0.00 0.00 177.00 177.49 3min h ASP 145 N -0.73 0.00 -4.83 6.66 3.32 -0.98 -3.47 116.42 116.39 3min h ASP 145 Ca -0.44 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.45 3min h ASP 145 Cb 1.22 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.56 3min h ASP 145 CO 0.55 0.01 -0.46 -0.32 -1.72 0.00 0.00 179.24 177.30 3min s MET 146 N -3.30 0.48 -0.13 3.56 1.75 -1.16 -4.32 119.30 116.18 3min s MET 146 Ca 0.02 -0.28 0.02 0.00 -1.25 0.00 0.00 55.69 54.20 3min s MET 146 Cb 0.09 0.20 0.01 0.00 2.84 0.00 0.00 34.83 37.97 3min s MET 146 CO 0.75 -0.11 -0.18 0.42 -0.65 0.00 0.00 175.02 175.24 3min s ILE 147 N -1.19 1.78 -0.22 10.11 1.01 -0.74 -1.36 121.20 130.59 3min s ILE 147 Ca -0.13 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 3min s ILE 147 Cb -0.06 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3min s ILE 147 CO 0.02 0.50 -0.06 0.00 0.00 0.00 0.00 174.94 175.39 3min s ALA 148 N 0.94 2.74 -0.18 9.38 0.00 -0.70 -3.69 121.76 130.25 3min s ALA 148 Ca -0.06 -1.24 -0.09 0.00 0.00 0.00 0.00 51.96 50.57 3min s ALA 148 Cb -0.15 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 3min s ALA 148 CO -0.03 -0.52 0.10 0.08 0.00 0.00 0.00 175.76 175.40 3min s VAL 149 N 1.43 5.15 0.00 0.00 1.01 -0.03 -1.39 120.40 126.57 3min s VAL 149 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3min s VAL 149 Cb -0.15 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3min s VAL 149 CO -0.05 0.47 0.00 -1.54 0.00 0.00 0.00 175.10 173.98 3min n SER 150 N 3.37 1.29 -4.02 3.32 3.41 -0.18 -1.31 113.62 119.50 3min n SER 150 Ca -0.17 -0.88 -0.08 0.00 -0.26 0.00 0.00 58.87 57.48 3min n SER 150 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 3min n SER 150 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3min s THR 151 N -1.16 0.17 0.35 6.66 -4.23 -1.26 -0.74 115.64 115.44 3min s THR 151 Ca 0.00 -1.42 0.07 0.00 -1.18 0.00 0.00 61.69 59.16 3min s THR 151 Cb 0.00 -1.10 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 3min s THR 151 CO 0.00 -0.78 0.43 0.42 -0.54 0.00 0.00 174.62 174.14 3min s THR 152 N -3.10 3.65 0.52 3.99 -4.23 -0.86 -4.54 115.64 111.07 3min s THR 152 Ca -0.01 -1.13 0.17 0.00 -1.18 0.00 0.00 61.69 59.55 3min s THR 152 Cb 0.02 -3.25 0.29 0.00 1.34 0.00 0.00 72.50 70.90 3min s THR 152 CO -0.07 -0.13 2.12 0.00 -0.54 0.00 0.00 174.62 176.01 3min h MET 154 N 0.00 -0.08 -0.64 0.00 1.85 -1.96 0.28 114.93 114.39 3min h MET 154 Ca 0.04 0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.09 3min h MET 154 Cb 0.16 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.18 3min h MET 154 CO -0.00 -0.05 0.20 0.00 -0.40 0.00 0.00 176.91 176.66 3min h ALA 155 N 0.88 1.15 0.19 0.39 0.00 -1.72 -1.17 119.26 118.97 3min h ALA 155 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3min h ALA 155 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3min h ALA 155 CO -0.01 0.59 -0.09 0.93 0.00 0.00 0.00 179.25 180.66 3min h GLU 156 N 0.94 -0.25 -0.84 0.00 4.39 -1.22 -2.11 114.58 115.49 3min h GLU 156 Ca 0.21 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.95 3min h GLU 156 Cb 0.26 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 3min h GLU 156 CO -0.01 -0.01 0.55 0.28 -1.16 0.00 0.00 179.01 178.66 3min h VAL 157 N -0.47 1.18 -0.00 3.13 2.07 -0.79 -0.45 116.25 120.92 3min h VAL 157 Ca -0.03 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3min h VAL 157 Cb 0.36 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3min h VAL 157 CO 0.04 0.20 -0.02 2.30 0.02 0.00 0.00 177.57 180.12 3min n ILE 158 N -4.53 0.00 -2.56 4.57 -5.35 -0.46 -4.93 119.36 106.10 3min n ILE 158 Ca 0.10 -0.07 -0.09 0.00 -0.27 0.00 0.00 62.75 62.42 3min n ILE 158 Cb 0.05 -0.21 0.01 0.00 -1.74 0.00 0.00 39.64 37.75 3min n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3min n GLY 159 N 1.10 0.19 3.70 3.28 0.00 -0.18 -4.99 105.19 108.30 3min n GLY 159 Ca 0.21 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3min n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3min s ASP 160 N -2.88 6.54 -0.89 1.61 1.11 -1.03 -4.91 116.67 116.22 3min s ASP 160 Ca 0.12 2.62 -0.23 0.00 0.18 0.00 0.00 52.55 55.24 3min s ASP 160 Cb -0.05 -2.58 0.06 0.00 1.07 0.00 0.00 42.92 41.42 3min s ASP 160 CO 0.15 -0.89 1.31 -0.62 1.18 0.00 0.00 175.17 176.29 3min s ASP 161 N 1.89 6.40 0.26 0.27 -1.08 -1.26 -4.87 116.67 118.27 3min s ASP 161 Ca 0.74 -1.23 -0.06 0.00 -0.52 0.00 0.00 52.55 51.48 3min s ASP 161 Cb -0.43 -2.53 0.50 0.00 -1.46 0.00 0.00 42.92 39.00 3min s ASP 161 CO 0.33 -1.52 1.61 -0.07 0.52 0.00 0.00 175.17 176.03 3min h LEU 162 N 12.34 -0.49 -0.53 -1.34 3.38 -1.99 -1.15 115.31 125.54 3min h LEU 162 Ca 0.02 0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.23 3min h LEU 162 Cb 1.03 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 3min h LEU 162 CO 1.32 -0.25 0.34 -1.13 0.09 0.00 0.00 178.44 178.81 3min h ASN 163 N 0.06 0.58 -0.28 -0.43 -1.24 -1.99 -0.77 115.58 111.50 3min h ASN 163 Ca 0.46 -0.01 -0.10 0.00 0.71 0.00 0.00 56.30 57.36 3min h ASN 163 Cb 0.82 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 3min h ASN 163 CO -0.78 0.42 -0.21 0.00 -1.29 0.00 0.00 177.43 175.57 3min h ALA 164 N 1.20 0.40 -0.39 1.57 0.00 -1.74 -0.25 119.26 120.05 3min h ALA 164 Ca 0.20 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3min h ALA 164 Cb -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3min h ALA 164 CO -0.05 0.35 0.24 0.74 0.00 0.00 0.00 179.25 180.53 3min h PHE 165 N 0.37 0.50 -0.49 0.00 -1.00 -1.04 0.37 116.94 115.66 3min h PHE 165 Ca 0.05 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 3min h PHE 165 Cb 0.75 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.13 3min h PHE 165 CO 0.07 0.34 0.14 0.82 -1.61 0.00 0.00 178.31 178.07 3min h ILE 166 N 0.52 1.23 -0.72 -0.55 2.04 -1.05 -1.47 117.51 117.52 3min h ILE 166 Ca 0.14 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 3min h ILE 166 Cb -0.02 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3min h ILE 166 CO -0.03 0.29 0.32 0.78 0.00 0.00 0.00 178.15 179.52 3min h ASN 167 N 0.67 0.94 0.83 1.72 -0.26 -0.30 -1.61 115.58 117.56 3min h ASN 167 Ca 0.16 -0.11 -0.11 0.00 -0.56 0.00 0.00 56.30 55.67 3min h ASN 167 Cb 0.30 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 3min h ASN 167 CO -0.00 0.81 -0.51 0.78 -1.06 0.00 0.00 177.43 177.45 3min h ASN 168 N 1.02 0.00 -0.28 5.81 -0.26 -0.10 0.53 115.58 122.31 3min h ASN 168 Ca 0.25 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.88 3min h ASN 168 Cb 0.14 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 3min h ASN 168 CO -0.03 0.51 -0.20 0.28 -1.06 0.00 0.00 177.43 176.93 3min h SER 169 N 0.00 0.75 0.21 5.81 0.02 -0.65 0.59 113.55 120.28 3min h SER 169 Ca -0.01 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 3min h SER 169 Cb 1.06 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3min h SER 169 CO 0.07 0.94 -0.10 0.11 -1.14 0.00 0.00 176.83 176.71 3min h LYS 170 N 0.65 -0.27 -0.25 3.45 1.57 -0.91 0.63 116.57 121.45 3min h LYS 170 Ca 0.10 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3min h LYS 170 Cb 0.69 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 3min h LYS 170 CO 0.05 0.08 -0.21 0.87 -0.57 0.00 0.00 179.45 179.67 3min h LYS 171 N -0.65 -0.20 0.00 3.15 6.56 -0.87 -0.75 116.57 123.81 3min h LYS 171 Ca -0.03 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3min h LYS 171 Cb 0.47 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 3min h LYS 171 CO 0.05 -0.14 0.00 0.39 -2.06 0.00 0.00 179.45 177.69 3min n GLU 172 N -5.36 0.62 -1.00 3.15 4.71 0.19 -4.87 120.64 118.09 3min n GLU 172 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 3min n GLU 172 Cb 0.27 -1.24 0.00 0.00 -1.01 0.00 0.00 31.44 29.47 3min n GLU 172 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3min n GLY 173 N 0.17 0.65 0.19 0.62 0.00 -0.29 -4.92 105.19 101.61 3min n GLY 173 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 3min n GLY 173 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3min h PHE 174 N 0.00 0.28 -3.95 1.61 -1.00 -1.09 -3.44 116.94 109.35 3min h PHE 174 Ca 0.00 -0.08 -0.26 0.00 2.81 0.00 0.00 57.97 60.44 3min h PHE 174 Cb 0.02 -0.06 -0.22 0.00 3.61 0.00 0.00 35.95 39.30 3min h PHE 174 CO 0.01 0.66 -0.73 0.96 -1.61 0.00 0.00 178.31 177.60 3min s ILE 175 N -4.04 0.42 0.36 -0.55 -4.36 -1.16 -4.29 121.20 107.57 3min s ILE 175 Ca -0.04 -0.91 -0.27 0.00 -0.26 0.00 0.00 60.65 59.17 3min s ILE 175 Cb 0.13 -0.49 -0.12 0.00 1.25 0.00 0.00 42.46 43.23 3min s ILE 175 CO 0.78 -0.33 1.13 -2.65 0.24 0.00 0.00 174.94 174.11 3min n PRO 176 N 1.72 1.67 -0.03 0.37 -0.02 -1.26 -4.25 135.00 133.20 3min n PRO 176 Ca -0.21 0.59 0.21 0.00 -2.02 0.00 0.00 63.50 62.07 3min n PRO 176 Cb 0.55 -2.12 0.69 0.00 -0.02 0.00 0.00 33.50 32.60 3min n PRO 176 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3min h ASP 177 N 2.05 0.01 -0.59 2.55 5.19 -1.96 -0.94 116.42 122.74 3min h ASP 177 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3min h ASP 177 Cb 1.32 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 3min h ASP 177 CO 0.60 0.01 0.00 -0.62 -3.12 0.00 0.00 179.24 176.11 3min n GLU 178 N -4.36 3.38 -2.70 3.56 1.02 -1.26 -4.94 120.64 115.34 3min n GLU 178 Ca 0.11 -2.73 -0.42 0.00 -0.02 0.00 0.00 57.16 54.11 3min n GLU 178 Cb 0.66 -1.74 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 3min n GLU 178 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3min s PHE 179 N -1.66 3.72 -0.27 -0.32 5.36 -0.36 -4.95 117.98 119.50 3min s PHE 179 Ca 0.46 1.72 -0.29 0.00 -0.96 0.00 0.00 56.93 57.87 3min s PHE 179 Cb 0.29 -3.11 -0.02 0.00 -0.34 0.00 0.00 43.02 39.84 3min s PHE 179 CO 0.24 0.01 1.67 -2.14 -1.46 0.00 0.00 175.22 173.53 3min s PRO 180 N 0.49 3.62 -0.56 10.12 0.02 -1.26 -4.94 135.00 142.50 3min s PRO 180 Ca 0.50 1.54 0.06 0.00 0.02 0.00 0.00 61.00 63.11 3min s PRO 180 Cb -0.23 -4.09 0.22 0.00 0.02 0.00 0.00 34.50 30.42 3min s PRO 180 CO 0.29 -1.50 0.57 0.28 -0.33 0.00 0.00 177.00 176.31 3min n VAL 181 N 6.81 0.85 -1.38 3.83 0.31 -1.26 -1.80 118.33 125.69 3min n VAL 181 Ca 0.20 -4.55 -0.33 0.00 -0.01 0.00 0.00 64.34 59.66 3min n VAL 181 Cb 0.46 -2.01 0.09 0.00 -0.91 0.00 0.00 33.84 31.47 3min n VAL 181 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3min s PRO 182 N -1.52 2.21 0.18 5.55 0.04 -1.24 -4.89 135.00 135.33 3min s PRO 182 Ca 0.34 1.46 -0.06 0.00 0.04 0.00 0.00 61.00 62.78 3min s PRO 182 Cb 0.09 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 3min s PRO 182 CO -0.10 -1.72 0.24 -0.59 0.04 0.00 0.00 177.00 174.87 3min s PHE 183 N -2.44 0.66 -0.27 0.56 -0.71 -1.26 -0.85 117.98 113.67 3min s PHE 183 Ca 0.67 -0.99 -0.24 0.00 -1.04 0.00 0.00 56.93 55.33 3min s PHE 183 Cb -0.22 -0.21 0.07 0.00 -1.21 0.00 0.00 43.02 41.45 3min s PHE 183 CO 0.49 -0.71 0.72 0.00 -1.34 0.00 0.00 175.22 174.38 3min s ALA 184 N -4.04 -1.80 0.11 1.99 0.00 -0.43 -4.46 121.76 113.14 3min s ALA 184 Ca 0.24 2.08 -0.26 0.00 0.00 0.00 0.00 51.96 54.02 3min s ALA 184 Cb 0.04 -1.22 -0.07 0.00 0.00 0.00 0.00 23.12 21.88 3min s ALA 184 CO 0.05 -0.34 0.81 -1.01 0.00 0.00 0.00 175.76 175.26 3min s HIS 185 N 0.53 3.83 -0.45 0.00 3.76 -1.26 -4.15 115.29 117.55 3min s HIS 185 Ca -0.01 1.61 0.06 0.00 -0.15 0.00 0.00 55.06 56.56 3min s HIS 185 Cb -0.05 -2.85 0.20 0.00 1.11 0.00 0.00 32.58 31.00 3min s HIS 185 CO -0.02 0.36 0.44 0.25 -0.85 0.00 0.00 174.74 174.93 3min n THR 186 N 2.28 -0.51 -2.06 1.30 -2.24 -1.26 -4.93 114.28 106.84 3min n THR 186 Ca -0.03 -3.89 -0.42 0.00 -2.27 0.00 0.00 64.05 57.44 3min n THR 186 Cb 0.49 -1.84 -0.03 0.00 -2.10 0.00 0.00 70.33 66.86 3min n THR 186 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3min s PRO 187 N -0.68 4.21 0.59 -0.78 0.04 -1.26 -4.23 135.00 132.90 3min s PRO 187 Ca 0.33 2.14 0.33 0.00 0.04 0.00 0.00 61.00 63.85 3min s PRO 187 Cb 0.08 -3.80 1.88 0.00 0.04 0.00 0.00 34.50 32.70 3min s PRO 187 CO -0.15 -0.75 2.24 0.66 0.04 0.00 0.00 177.00 179.03 3min h SER 188 N 8.82 0.00 -0.21 6.66 4.64 -1.91 -1.80 113.55 129.75 3min h SER 188 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3min h SER 188 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3min h SER 188 CO 0.94 0.03 0.00 2.22 -0.87 0.00 0.00 176.83 179.15 3min n PHE 189 N -3.57 0.27 -3.90 4.77 1.16 -1.26 -4.61 117.46 110.32 3min n PHE 189 Ca -0.03 -0.14 -0.27 0.00 -1.87 0.00 0.00 57.45 55.14 3min n PHE 189 Cb 0.12 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 37.83 3min n PHE 189 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3min s VAL 190 N -1.73 1.06 0.00 1.97 1.01 -0.68 -5.06 120.40 116.97 3min s VAL 190 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3min s VAL 190 Cb 0.09 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3min s VAL 190 CO 0.13 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3min n GLY 191 N 4.92 1.44 2.58 4.51 0.00 -1.26 -4.74 105.19 112.65 3min n GLY 191 Ca -0.12 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 3min n GLY 191 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3min n SER 192 N 5.31 -1.42 -0.43 1.61 3.41 -1.26 -4.87 113.62 115.97 3min n SER 192 Ca 0.00 -2.20 0.36 0.00 -0.26 0.00 0.00 58.87 56.76 3min n SER 192 Cb 0.00 2.43 0.64 0.00 -0.26 0.00 0.00 64.21 67.02 3min n SER 192 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3min h HIS 193 N 1.71 0.54 -0.30 7.33 2.07 -1.01 0.32 115.15 125.81 3min h HIS 193 Ca -0.22 0.02 -0.15 0.00 -2.85 0.00 0.00 60.37 57.17 3min h HIS 193 Cb 0.87 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 30.71 3min h HIS 193 CO 0.00 -0.19 -0.40 -0.39 -3.07 0.00 0.00 177.93 173.87 3min h VAL 194 N 0.11 1.29 -0.90 6.12 -1.51 -1.88 -1.83 116.25 117.65 3min h VAL 194 Ca 0.80 -1.58 0.01 0.00 -1.23 0.00 0.00 66.70 64.70 3min h VAL 194 Cb 2.48 1.49 -0.04 0.00 -2.13 0.00 0.00 31.29 33.09 3min h VAL 194 CO -0.42 0.51 0.58 0.74 -1.23 0.00 0.00 177.57 177.75 3min h THR 195 N 0.59 1.23 -0.82 7.19 2.02 -1.24 -1.37 112.91 120.50 3min h THR 195 Ca 0.05 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3min h THR 195 Cb 0.94 -0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 3min h THR 195 CO 0.09 0.23 0.48 1.23 0.37 0.00 0.00 175.52 177.92 3min h GLY 196 N 1.22 1.20 0.82 2.16 0.00 -0.84 -0.53 103.07 107.10 3min h GLY 196 Ca 0.33 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3min h GLY 196 CO -0.07 0.49 -0.06 -0.25 0.00 0.00 0.00 176.54 176.66 3min h TRP 197 N 1.14 0.46 -0.24 5.60 7.01 -0.57 -2.06 115.95 127.30 3min h TRP 197 Ca 0.29 -0.10 0.05 0.00 2.11 0.00 0.00 58.89 61.24 3min h TRP 197 Cb -0.03 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 26.88 3min h TRP 197 CO 0.01 0.66 -0.06 0.22 -2.79 0.00 0.00 178.44 176.47 3min h ASP 198 N 0.14 -0.24 -0.89 2.65 3.58 -0.83 -0.31 116.42 120.53 3min h ASP 198 Ca 0.05 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 3min h ASP 198 Cb 0.51 0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.67 3min h ASP 198 CO 0.02 -0.08 0.52 0.78 -2.88 0.00 0.00 179.24 177.59 3min h ASN 199 N -0.01 1.08 -0.34 2.28 2.35 -1.05 -0.84 115.58 119.05 3min h ASN 199 Ca 0.12 -0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.62 3min h ASN 199 Cb 0.18 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 3min h ASN 199 CO -0.25 0.84 -0.45 -0.03 -1.65 0.00 0.00 177.43 175.90 3min h MET 200 N 1.22 0.91 0.09 0.81 4.05 -0.90 -1.26 114.93 119.85 3min h MET 200 Ca 0.32 -0.51 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 3min h MET 200 Cb -0.02 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 3min h MET 200 CO -0.06 1.16 -0.04 0.35 0.23 0.00 0.00 176.91 178.55 3min h PHE 201 N 0.72 -0.11 -0.96 1.39 3.57 -0.61 -1.37 116.94 119.57 3min h PHE 201 Ca 0.04 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.62 3min h PHE 201 Cb 1.04 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 3min h PHE 201 CO 0.07 0.15 0.62 1.49 -2.23 0.00 0.00 178.31 178.41 3min h GLU 202 N -0.37 1.03 0.34 1.11 4.57 -1.13 0.48 114.58 120.61 3min h GLU 202 Ca -0.01 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3min h GLU 202 Cb 0.31 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3min h GLU 202 CO 0.02 0.68 -0.17 0.78 -1.18 0.00 0.00 179.01 179.14 3min h GLY 203 N 1.06 -0.49 1.34 1.92 0.00 -0.94 -0.02 103.07 105.94 3min h GLY 203 Ca 0.43 0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.90 3min h GLY 203 CO -0.18 -0.18 0.13 -2.22 0.00 0.00 0.00 176.54 174.09 3min h ILE 204 N -0.47 1.22 0.13 2.60 2.04 -0.80 -0.32 117.51 121.93 3min h ILE 204 Ca -0.04 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 3min h ILE 204 Cb 0.36 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3min h ILE 204 CO 0.07 0.30 -0.06 0.00 0.00 0.00 0.00 178.15 178.46 3min h ALA 205 N 1.35 -0.18 -0.22 1.87 0.00 -0.72 -2.70 119.26 118.65 3min h ALA 205 Ca 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3min h ALA 205 Cb 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3min h ALA 205 CO -0.00 -0.58 0.13 -0.09 0.00 0.00 0.00 179.25 178.71 3min h ARG 206 N -0.21 0.27 -0.71 0.00 2.43 -0.74 -1.71 114.38 113.71 3min h ARG 206 Ca -0.02 -0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.27 3min h ARG 206 Cb 0.16 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.56 3min h ARG 206 CO 0.03 0.18 0.24 -0.92 -1.51 0.00 0.00 179.97 177.99 3min h TYR 207 N 0.27 0.40 0.00 2.20 3.20 -1.00 -1.05 116.97 121.00 3min h TYR 207 Ca 0.09 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3min h TYR 207 Cb -0.01 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3min h TYR 207 CO -0.08 0.02 -0.47 1.19 -1.64 0.00 0.00 178.16 177.19 3min n PHE 208 N -5.05 0.40 0.00 -3.82 3.72 -1.03 -4.64 117.46 107.05 3min n PHE 208 Ca 0.13 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 3min n PHE 208 Cb 0.39 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 3min n PHE 208 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3min n THR 209 N -1.91 0.00 -0.02 4.37 -2.24 -0.63 -4.58 114.28 109.27 3min n THR 209 Ca 0.04 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 62.05 3min n THR 209 Cb 0.40 -0.28 0.72 0.00 -2.10 0.00 0.00 70.33 69.08 3min n THR 209 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3min h LEU 210 N 0.00 0.00 0.09 3.22 5.85 -1.45 -2.24 115.31 120.78 3min h LEU 210 Ca 0.00 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.37 3min h LEU 210 Cb 0.43 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3min h LEU 210 CO 0.00 0.00 -1.92 0.29 -0.34 0.00 0.00 178.44 176.47 3min n LYS 211 N -4.13 0.71 0.00 1.25 4.76 -1.26 -4.36 118.16 115.13 3min n LYS 211 Ca 0.11 0.31 0.07 0.00 -2.87 0.00 0.00 58.31 55.94 3min n LYS 211 Cb 0.70 -1.69 0.43 0.00 -1.84 0.00 0.00 35.03 32.63 3min n LYS 211 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3min n SER 212 N -3.67 0.00 0.32 4.39 7.64 -0.85 -4.38 113.62 117.06 3min n SER 212 Ca -0.34 -0.70 0.17 0.00 1.01 0.00 0.00 58.87 59.01 3min n SER 212 Cb 0.97 0.00 0.90 0.00 -1.01 0.00 0.00 64.21 65.06 3min n SER 212 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3min h MET 213 N 0.00 0.00 -0.09 1.43 2.86 -1.74 -2.92 114.93 114.47 3min h MET 213 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3min h MET 213 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3min h MET 213 CO 0.00 0.00 -0.10 -0.44 1.06 0.00 0.00 176.91 177.43 3min h ASP 214 N 0.00 0.13 -0.56 1.22 3.32 -1.93 -2.78 116.42 115.81 3min h ASP 214 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3min h ASP 214 Cb 0.43 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3min h ASP 214 CO 0.00 0.25 0.00 -0.90 -1.72 0.00 0.00 179.24 176.87 3min n ASP 215 N -4.34 5.52 -4.70 6.45 5.75 -1.10 -4.95 116.55 119.18 3min n ASP 215 Ca -0.01 -2.89 -0.36 0.00 -0.01 0.00 0.00 54.79 51.52 3min n ASP 215 Cb 0.22 -0.67 -0.08 0.00 -1.03 0.00 0.00 41.12 39.57 3min n ASP 215 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3min s LYS 216 N -2.67 4.18 -0.28 0.11 -0.14 -1.05 -5.04 119.74 114.85 3min s LYS 216 Ca 0.54 -0.05 -0.01 0.00 -1.36 0.00 0.00 55.97 55.09 3min s LYS 216 Cb 0.40 -3.48 0.05 0.00 -1.68 0.00 0.00 37.83 33.12 3min s LYS 216 CO 0.17 0.15 -0.04 0.08 -0.76 0.00 0.00 175.35 174.95 3min s VAL 217 N 0.77 2.76 -0.39 3.17 1.01 -1.26 -4.98 120.40 121.47 3min s VAL 217 Ca 0.13 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.43 3min s VAL 217 Cb -0.13 -2.56 -0.08 0.00 0.00 0.00 0.00 36.38 33.61 3min s VAL 217 CO 0.04 -0.03 2.32 0.52 0.00 0.00 0.00 175.10 177.94 3min n VAL 218 N 4.58 0.13 0.00 2.92 0.31 -1.26 -1.56 118.33 123.46 3min n VAL 218 Ca -0.14 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 3min n VAL 218 Cb 0.44 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.02 3min n VAL 218 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3min n GLY 219 N 6.06 2.51 0.27 2.92 0.00 -0.61 -4.84 105.19 111.51 3min n GLY 219 Ca 0.37 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.51 3min n GLY 219 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3min h SER 220 N 0.00 0.00 -0.07 1.61 4.64 -0.20 0.15 113.55 119.67 3min h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3min h SER 220 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3min h SER 220 CO 0.00 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 175.54 3min n ASN 221 N -4.09 1.99 -4.20 4.97 0.23 -0.63 -4.97 115.26 108.56 3min n ASN 221 Ca -0.03 -1.68 -0.34 0.00 -0.53 0.00 0.00 54.58 52.01 3min n ASN 221 Cb 0.12 -0.04 -0.07 0.00 -2.08 0.00 0.00 39.78 37.72 3min n ASN 221 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3min n LYS 222 N 0.55 -0.77 -4.40 -3.83 2.85 0.04 -4.99 118.16 107.61 3min n LYS 222 Ca 0.17 0.07 -0.21 0.00 -1.05 0.00 0.00 58.31 57.30 3min n LYS 222 Cb 0.42 -3.14 -0.10 0.00 -0.65 0.00 0.00 35.03 31.56 3min n LYS 222 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3min s LYS 223 N -7.25 1.48 -0.09 -1.58 1.02 -1.26 -4.45 119.74 107.61 3min s LYS 223 Ca 0.12 -1.70 0.02 0.00 0.02 0.00 0.00 55.97 54.43 3min s LYS 223 Cb -0.06 -1.27 -0.02 0.00 -0.52 0.00 0.00 37.83 35.96 3min s LYS 223 CO 0.95 0.16 -0.15 0.42 -0.92 0.00 0.00 175.35 175.82 3min s ILE 224 N -2.89 2.98 0.16 2.17 1.01 -0.29 -0.66 121.20 123.68 3min s ILE 224 Ca 0.26 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.98 3min s ILE 224 Cb 0.00 -2.20 -0.08 0.00 0.01 0.00 0.00 42.46 40.19 3min s ILE 224 CO 0.10 0.56 0.68 0.20 0.00 0.00 0.00 174.94 176.48 3min s ASN 225 N -0.15 7.15 -0.14 3.58 0.01 -0.44 -1.42 114.94 123.53 3min s ASN 225 Ca -0.01 1.42 0.01 0.00 -0.71 0.00 0.00 52.86 53.57 3min s ASN 225 Cb -0.14 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 39.13 3min s ASN 225 CO 0.03 0.17 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.02 3min s ILE 226 N -1.28 1.54 -0.28 0.60 -1.09 0.30 -0.34 121.20 120.65 3min s ILE 226 Ca 0.36 -0.63 -0.07 0.00 -2.23 0.00 0.00 60.65 58.09 3min s ILE 226 Cb -0.19 -1.44 -0.00 0.00 -1.58 0.00 0.00 42.46 39.24 3min s ILE 226 CO 0.22 0.45 0.07 -0.69 -1.23 0.00 0.00 174.94 173.76 3min s VAL 227 N 1.38 4.02 -0.03 2.92 1.01 -0.48 -1.12 120.40 128.09 3min s VAL 227 Ca 0.02 -0.55 0.12 0.00 0.00 0.00 0.00 61.98 61.57 3min s VAL 227 Cb -0.13 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 3min s VAL 227 CO -0.08 0.16 1.38 1.55 0.00 0.00 0.00 175.10 178.11 3min h PRO 228 N 8.23 0.00 0.00 2.72 0.13 -1.85 0.22 132.00 141.45 3min h PRO 228 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3min h PRO 228 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3min h PRO 228 CO 0.60 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 179.49 3min n GLY 229 N 1.26 -2.16 3.61 1.56 0.00 -1.26 -4.16 105.19 104.05 3min n GLY 229 Ca 0.01 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 3min n GLY 229 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3min s PHE 230 N -0.27 2.40 -0.07 1.61 2.19 -1.26 -4.95 117.98 117.64 3min s PHE 230 Ca 0.00 0.71 -0.00 0.00 0.33 0.00 0.00 56.93 57.97 3min s PHE 230 Cb 0.00 -4.11 0.03 0.00 -1.31 0.00 0.00 43.02 37.62 3min s PHE 230 CO 0.00 -2.12 -0.02 -2.00 1.83 0.00 0.00 175.22 172.92 3min s GLU 231 N 4.70 0.74 -0.16 10.12 2.56 -1.26 -5.03 118.70 130.37 3min s GLU 231 Ca 0.63 0.01 0.17 0.00 0.00 0.00 0.00 54.97 55.78 3min s GLU 231 Cb -0.17 -0.97 0.39 0.00 2.00 0.00 0.00 34.13 35.38 3min s GLU 231 CO 0.29 -0.23 1.26 0.25 -0.56 0.00 0.00 175.26 176.27 3min n THR 232 N 4.77 2.08 -4.09 -1.70 -2.24 -1.26 -4.92 114.28 106.92 3min n THR 232 Ca -0.13 -2.23 -0.32 0.00 -2.27 0.00 0.00 64.05 59.10 3min n THR 232 Cb 0.50 -0.25 -0.16 0.00 -2.10 0.00 0.00 70.33 68.32 3min n THR 232 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3min s TYR 233 N -2.91 2.65 0.37 4.78 2.02 -1.26 -4.75 117.35 118.25 3min s TYR 233 Ca 0.36 -1.58 0.05 0.00 -0.37 0.00 0.00 57.07 55.54 3min s TYR 233 Cb 0.31 -1.83 0.72 0.00 -0.40 0.00 0.00 41.96 40.76 3min s TYR 233 CO 0.04 -0.78 1.97 -0.07 -1.57 0.00 0.00 175.55 175.15 3min h LEU 234 N 7.96 0.50 -2.00 -1.29 3.38 -0.96 -2.34 115.31 120.56 3min h LEU 234 Ca -0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 3min h LEU 234 Cb 1.13 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3min h LEU 234 CO 0.60 0.46 -0.05 1.23 0.09 0.00 0.00 178.44 180.77 3min h GLY 235 N 0.71 0.00 0.94 0.83 0.00 -1.31 -2.30 103.07 101.94 3min h GLY 235 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.34 3min h GLY 235 CO -0.01 0.00 -0.38 3.43 0.00 0.00 0.00 176.54 179.58 3min h ASN 236 N 0.00 0.70 -0.56 0.19 2.35 -1.54 0.30 115.58 117.02 3min h ASN 236 Ca -0.00 -0.54 -0.01 0.00 -0.55 0.00 0.00 56.30 55.21 3min h ASN 236 Cb 0.09 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3min h ASN 236 CO 0.01 1.10 0.32 -0.26 -1.65 0.00 0.00 177.43 176.95 3min h PHE 237 N 0.32 0.76 -0.47 1.19 0.04 -1.59 -2.77 116.94 114.41 3min h PHE 237 Ca 0.01 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3min h PHE 237 Cb 0.97 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.86 3min h PHE 237 CO 0.09 0.54 0.18 0.00 -0.60 0.00 0.00 178.31 178.52 3min h ARG 238 N 0.75 0.71 -0.10 1.51 -0.00 -1.24 -2.81 114.38 113.21 3min h ARG 238 Ca 0.20 -0.13 -0.17 0.00 -0.50 0.00 0.00 59.98 59.37 3min h ARG 238 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 29.87 3min h ARG 238 CO -0.03 0.65 -0.68 -0.24 0.00 0.00 0.00 179.97 179.66 3min h VAL 239 N 0.62 1.37 -0.34 2.04 3.04 -0.27 -1.23 116.25 121.48 3min h VAL 239 Ca 0.16 -2.05 -0.01 0.00 -1.01 0.00 0.00 66.70 63.79 3min h VAL 239 Cb 0.21 2.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.50 3min h VAL 239 CO -0.01 0.62 0.19 0.40 -1.01 0.00 0.00 177.57 177.76 3min h ILE 240 N 0.29 1.14 -0.55 3.17 1.08 -1.45 -0.91 117.51 120.27 3min h ILE 240 Ca -0.02 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 3min h ILE 240 Cb 1.24 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 3min h ILE 240 CO 0.12 0.14 0.23 0.11 -0.69 0.00 0.00 178.15 178.05 3min h LYS 241 N 0.43 0.82 -0.12 2.37 1.57 -1.34 -1.66 116.57 118.64 3min h LYS 241 Ca 0.12 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3min h LYS 241 Cb 0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3min h LYS 241 CO -0.02 0.70 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.43 3min h ARG 242 N 0.75 -0.02 -0.39 3.15 2.43 -0.95 -0.68 114.38 118.68 3min h ARG 242 Ca 0.18 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3min h ARG 242 Cb 0.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3min h ARG 242 CO -0.02 -0.01 -0.10 0.52 -1.51 0.00 0.00 179.97 178.85 3min h MET 243 N -0.02 0.75 -0.55 0.20 2.86 -1.02 -0.96 114.93 116.19 3min h MET 243 Ca 0.06 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 3min h MET 243 Cb 0.11 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3min h MET 243 CO -0.13 0.90 0.09 -0.07 1.06 0.00 0.00 176.91 178.75 3min h LEU 244 N 0.56 0.88 -0.40 1.22 3.38 -1.21 -2.02 115.31 117.73 3min h LEU 244 Ca 0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3min h LEU 244 Cb 0.63 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3min h LEU 244 CO 0.04 0.92 0.12 0.28 0.09 0.00 0.00 178.44 179.89 3min h SER 245 N 0.81 0.58 0.75 -0.43 0.02 -1.00 -1.12 113.55 113.16 3min h SER 245 Ca 0.17 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3min h SER 245 Cb 0.42 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3min h SER 245 CO 0.01 0.64 0.00 -1.84 -1.14 0.00 0.00 176.83 174.50 3min n GLU 246 N -4.59 0.19 0.00 3.45 0.28 -0.38 -0.79 120.64 118.80 3min n GLU 246 Ca -0.00 0.41 0.12 0.00 -0.16 0.00 0.00 57.16 57.53 3min n GLU 246 Cb 0.18 -1.86 0.34 0.00 1.43 0.00 0.00 31.44 31.53 3min n GLU 246 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 3min n MET 247 N -2.21 0.07 -1.89 3.44 1.56 -0.78 -4.75 117.12 112.56 3min n MET 247 Ca 0.02 -0.03 -0.07 0.00 -0.27 0.00 0.00 57.70 57.35 3min n MET 247 Cb 0.23 -1.50 -0.01 0.00 2.15 0.00 0.00 33.22 34.10 3min n MET 247 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3min n GLY 248 N 1.48 0.30 3.73 -5.12 0.00 0.03 -4.73 105.19 100.89 3min n GLY 248 Ca 0.06 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 3min n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3min s VAL 249 N -2.32 5.16 0.18 1.61 1.01 -0.49 -4.99 120.40 120.56 3min s VAL 249 Ca 0.00 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.64 3min s VAL 249 Cb 0.00 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 3min s VAL 249 CO 0.00 0.35 0.91 -0.83 0.00 0.00 0.00 175.10 175.53 3min s GLY 250 N 0.45 3.04 0.23 4.51 0.00 -1.26 -4.43 107.32 109.85 3min s GLY 250 Ca 0.26 0.55 -0.13 0.00 0.00 0.00 0.00 44.72 45.39 3min s GLY 250 CO 0.11 1.20 0.47 -2.52 0.00 0.00 0.00 173.10 172.36 3min s TYR 251 N -0.80 0.27 -0.13 1.90 1.13 -1.26 -1.14 117.35 117.32 3min s TYR 251 Ca 0.41 -0.63 -0.04 0.00 -1.41 0.00 0.00 57.07 55.41 3min s TYR 251 Cb -0.24 0.22 0.05 0.00 -1.10 0.00 0.00 41.96 40.89 3min s TYR 251 CO 0.30 -0.96 0.10 0.45 -2.51 0.00 0.00 175.55 172.93 3min s SER 252 N -2.99 1.81 -0.32 -0.18 0.15 -0.51 -4.83 113.70 106.84 3min s SER 252 Ca 0.19 -0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.28 3min s SER 252 Cb -0.01 -0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.19 3min s SER 252 CO 0.06 -0.31 0.87 -0.22 1.20 0.00 0.00 173.24 174.84 3min s LEU 253 N 2.18 4.05 -0.40 3.45 2.96 -1.26 -0.54 118.68 129.12 3min s LEU 253 Ca 0.03 0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 54.55 3min s LEU 253 Cb -0.15 -3.20 0.03 0.00 0.50 0.00 0.00 46.19 43.37 3min s LEU 253 CO -0.07 -0.71 0.25 -0.76 -1.32 0.00 0.00 176.35 173.74 3min s LEU 254 N 3.18 4.94 0.00 -0.68 1.43 -0.28 -4.43 118.68 122.84 3min s LEU 254 Ca 0.36 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3min s LEU 254 Cb -0.13 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3min s LEU 254 CO 0.14 -0.44 0.00 -0.24 0.23 0.00 0.00 176.35 176.04 3min n SER 255 N 5.05 -1.42 -3.79 2.29 2.88 -1.26 -4.31 113.62 113.06 3min n SER 255 Ca -0.11 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.13 3min n SER 255 Cb 0.46 -0.71 -0.14 0.00 -0.75 0.00 0.00 64.21 63.07 3min n SER 255 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3min s ASP 256 N 0.00 4.07 0.00 -3.46 2.15 -0.14 -4.72 116.67 114.57 3min s ASP 256 Ca 0.00 -2.12 0.23 0.00 0.43 0.00 0.00 52.55 51.09 3min s ASP 256 Cb 0.00 -1.11 0.97 0.00 -0.30 0.00 0.00 42.92 42.48 3min s ASP 256 CO 0.00 -0.35 1.67 -0.81 -0.17 0.00 0.00 175.17 175.51 3min n PRO 257 N 4.24 1.53 0.26 4.34 -0.04 -1.26 -3.58 135.00 140.48 3min n PRO 257 Ca 0.03 -0.80 0.17 0.00 -0.04 0.00 0.00 63.50 62.87 3min n PRO 257 Cb 0.39 -1.40 0.88 0.00 -0.04 0.00 0.00 33.50 33.32 3min n PRO 257 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3min h GLU 258 N 1.70 0.00 0.06 0.54 -0.00 -1.93 -1.87 114.58 113.08 3min h GLU 258 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.12 3min h GLU 258 Cb 0.37 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.10 3min h GLU 258 CO 0.00 0.00 -1.28 0.93 -0.00 0.00 0.00 179.01 178.66 3min h GLU 259 N 0.00 0.14 0.00 1.06 4.39 -1.81 -3.29 114.58 115.06 3min h GLU 259 Ca 0.00 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 3min h GLU 259 Cb 0.13 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3min h GLU 259 CO 0.00 1.11 -0.03 -0.39 -1.16 0.00 0.00 179.01 178.54 3min h VAL 260 N -0.58 0.47 -0.56 3.13 -1.51 -1.46 -1.60 116.25 114.14 3min h VAL 260 Ca -0.30 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 3min h VAL 260 Cb 1.55 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 3min h VAL 260 CO -0.04 0.03 0.00 0.18 -1.23 0.00 0.00 177.57 176.51 3min n LEU 261 N -3.69 4.05 -2.75 4.19 4.77 -0.74 -4.49 117.00 118.34 3min n LEU 261 Ca -0.03 -2.04 -0.09 0.00 -0.03 0.00 0.00 56.01 53.83 3min n LEU 261 Cb 0.12 -0.52 0.09 0.00 -2.33 0.00 0.00 43.42 40.78 3min n LEU 261 CO 0.27 0.71 0.34 -0.67 -1.33 0.00 0.00 177.39 176.72 3min n ASP 262 N 0.97 -1.84 -4.83 -1.43 2.03 -0.61 -4.92 116.55 105.92 3min n ASP 262 Ca 0.22 -3.19 -0.33 0.00 0.52 0.00 0.00 54.79 52.01 3min n ASP 262 Cb 0.75 1.35 -0.06 0.00 -0.72 0.00 0.00 41.12 42.44 3min n ASP 262 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3min s THR 263 N -0.07 4.50 0.52 5.18 -4.23 -1.19 -4.89 115.64 115.47 3min s THR 263 Ca 0.23 1.28 -0.22 0.00 -1.18 0.00 0.00 61.69 61.81 3min s THR 263 Cb 0.34 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.51 3min s THR 263 CO -0.06 -0.31 1.27 -2.16 -0.54 0.00 0.00 174.62 172.81 3min s PRO 264 N -3.21 3.33 -0.90 3.99 0.04 -1.26 -4.98 135.00 132.01 3min s PRO 264 Ca 0.59 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 63.47 3min s PRO 264 Cb -0.09 -2.26 0.16 0.00 0.04 0.00 0.00 34.50 32.35 3min s PRO 264 CO 0.16 -0.97 1.00 0.00 0.04 0.00 0.00 177.00 177.24 3min s ALA 265 N -1.43 3.64 -0.12 8.56 0.00 -1.26 -4.78 121.76 126.37 3min s ALA 265 Ca 0.70 -2.98 0.17 0.00 0.00 0.00 0.00 51.96 49.84 3min s ALA 265 Cb -0.35 -3.86 0.26 0.00 0.00 0.00 0.00 23.12 19.18 3min s ALA 265 CO 0.41 -2.72 1.14 -0.40 0.00 0.00 0.00 175.76 174.18 3min n ASP 266 N 5.58 2.07 0.00 0.00 5.75 -1.26 -4.96 116.55 123.73 3min n ASP 266 Ca 0.21 -2.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.00 3min n ASP 266 Cb 0.48 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3min n ASP 266 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3min n GLY 267 N -1.27 1.79 3.32 6.12 0.00 -1.26 -5.05 105.19 108.84 3min n GLY 267 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3min n GLY 267 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3min s GLN 268 N -0.93 1.55 -0.23 1.61 -0.21 -1.26 -5.11 119.66 115.08 3min s GLN 268 Ca 0.00 -1.10 -0.10 0.00 0.02 0.00 0.00 55.36 54.18 3min s GLN 268 Cb 0.00 -1.77 -0.05 0.00 1.00 0.00 0.00 33.01 32.20 3min s GLN 268 CO 0.00 0.45 0.13 0.12 -2.12 0.00 0.00 175.29 173.87 3min s PHE 269 N -0.88 3.28 -0.29 0.91 5.36 -1.26 -4.87 117.98 120.24 3min s PHE 269 Ca 0.10 0.14 -0.08 0.00 -0.96 0.00 0.00 56.93 56.13 3min s PHE 269 Cb -0.10 -2.23 -0.01 0.00 -0.34 0.00 0.00 43.02 40.35 3min s PHE 269 CO 0.03 0.05 0.11 1.03 -1.46 0.00 0.00 175.22 174.97 3min s ARG 270 N 0.97 3.32 0.15 10.12 0.52 -1.26 -4.99 118.95 127.79 3min s ARG 270 Ca 0.07 -0.71 -0.12 0.00 -0.52 0.00 0.00 55.73 54.44 3min s ARG 270 Cb -0.13 -3.44 0.02 0.00 0.52 0.00 0.00 34.95 31.92 3min s ARG 270 CO 0.04 -0.37 1.61 1.98 0.02 0.00 0.00 175.30 178.57 3min h MET 271 N 8.28 0.89 -6.86 3.54 1.85 -1.99 -3.45 114.93 117.19 3min h MET 271 Ca -0.33 -0.28 -0.69 0.00 -0.61 0.00 0.00 59.70 57.79 3min h MET 271 Cb 1.15 -0.08 -0.21 0.00 0.43 0.00 0.00 31.60 32.88 3min h MET 271 CO 0.60 0.91 -0.86 0.71 -0.40 0.00 0.00 176.91 177.88 3min s TYR 272 N -5.04 2.36 -0.27 1.39 2.02 -1.26 -4.89 117.35 111.66 3min s TYR 272 Ca -0.12 -0.35 -0.21 0.00 -0.37 0.00 0.00 57.07 56.01 3min s TYR 272 Cb 0.12 -1.28 0.08 0.00 -0.40 0.00 0.00 41.96 40.48 3min s TYR 272 CO 0.82 0.34 0.73 0.00 -1.57 0.00 0.00 175.55 175.88 3min s ALA 273 N -1.07 -1.84 0.00 3.71 0.00 -1.26 -4.98 121.76 116.32 3min s ALA 273 Ca 0.15 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.29 3min s ALA 273 Cb -0.10 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.71 3min s ALA 273 CO 0.07 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3min n GLY 274 N 3.33 2.83 0.00 0.00 0.00 -1.26 -3.29 105.19 106.80 3min n GLY 274 Ca -0.16 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3min n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3min n GLY 275 N 0.00 -0.56 3.73 -0.02 0.00 -1.23 -4.02 105.19 103.08 3min n GLY 275 Ca 0.00 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3min n GLY 275 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3min s THR 276 N -3.03 2.69 0.48 2.61 2.01 -0.45 -4.16 115.64 115.80 3min s THR 276 Ca 0.00 0.53 -0.16 0.00 0.31 0.00 0.00 61.69 62.37 3min s THR 276 Cb 0.00 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 3min s THR 276 CO 0.00 0.06 0.94 0.42 -0.69 0.00 0.00 174.62 175.35 3min s THR 277 N 0.66 4.57 0.40 -0.82 -4.23 -1.26 -0.83 115.64 114.13 3min s THR 277 Ca 0.65 1.13 0.10 0.00 -1.18 0.00 0.00 61.69 62.38 3min s THR 277 Cb -0.42 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.01 3min s THR 277 CO 0.36 -0.62 1.98 1.56 -0.54 0.00 0.00 174.62 177.37 3min h GLN 278 N 1.09 0.55 -0.82 3.99 4.20 -1.94 -1.05 115.11 121.13 3min h GLN 278 Ca -0.47 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.18 3min h GLN 278 Cb 1.18 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.80 3min h GLN 278 CO 0.62 0.37 0.41 0.93 -0.67 0.00 0.00 178.83 180.48 3min h GLU 279 N 0.57 1.16 -0.42 1.46 3.07 -1.99 -0.60 114.58 117.84 3min h GLU 279 Ca 0.27 -0.16 -0.12 0.00 -0.50 0.00 0.00 59.36 58.86 3min h GLU 279 Cb 0.34 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3min h GLU 279 CO -0.08 0.88 -0.22 0.93 -1.40 0.00 0.00 179.01 179.12 3min h GLU 280 N 1.16 0.84 -0.43 2.33 5.08 -1.57 -0.12 114.58 121.86 3min h GLU 280 Ca 0.28 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3min h GLU 280 Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3min h GLU 280 CO -0.04 0.97 -0.20 0.52 -1.00 0.00 0.00 179.01 179.27 3min h MET 281 N 0.73 0.85 -0.29 2.33 2.86 -1.07 0.63 114.93 120.97 3min h MET 281 Ca 0.10 -0.34 -0.15 0.00 -2.06 0.00 0.00 59.70 57.25 3min h MET 281 Cb 0.74 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 3min h MET 281 CO 0.06 0.98 -0.40 0.87 1.06 0.00 0.00 176.91 179.48 3min h LYS 282 N 0.75 0.78 0.00 1.72 1.57 -0.96 -3.12 116.57 117.30 3min h LYS 282 Ca 0.11 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3min h LYS 282 Cb 0.73 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3min h LYS 282 CO 0.06 1.08 0.00 0.22 -0.57 0.00 0.00 179.45 180.24 3min h ASP 283 N 0.53 0.00 -0.69 0.86 3.58 -0.90 -3.38 116.42 116.42 3min h ASP 283 Ca 0.03 0.00 0.20 0.00 0.42 0.00 0.00 57.03 57.68 3min h ASP 283 Cb 0.99 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.01 3min h ASP 283 CO 0.09 0.00 0.56 0.00 -2.88 0.00 0.00 179.24 177.01 3min h ALA 284 N 2.37 2.57 0.00 -0.78 0.00 -0.80 -1.15 119.26 121.46 3min h ALA 284 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3min h ALA 284 Cb 0.62 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3min h ALA 284 CO 0.00 -0.91 -0.14 -1.35 0.00 0.00 0.00 179.25 176.85 3min h PRO 285 N 0.00 0.00 0.00 0.00 0.11 -1.81 -2.88 132.00 127.42 3min h PRO 285 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3min h PRO 285 Cb 1.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.55 3min h PRO 285 CO -0.00 0.14 0.00 0.09 -0.21 0.00 0.00 178.00 178.02 3min n ASN 286 N -3.69 0.00 -4.78 -2.05 4.13 -0.44 -4.21 115.26 104.23 3min n ASN 286 Ca -0.02 -0.17 -0.33 0.00 1.68 0.00 0.00 54.58 55.75 3min n ASN 286 Cb 0.26 -0.22 0.05 0.00 -1.54 0.00 0.00 39.78 38.33 3min n ASN 286 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3min s ALA 287 N -2.44 2.48 0.19 5.41 0.00 -1.09 -1.45 121.76 124.86 3min s ALA 287 Ca 0.23 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 3min s ALA 287 Cb 0.14 -3.29 0.15 0.00 0.00 0.00 0.00 23.12 20.13 3min s ALA 287 CO 0.31 -1.29 1.81 -0.07 0.00 0.00 0.00 175.76 176.52 3min h LEU 288 N -0.14 0.50 -7.90 0.00 3.38 -1.10 -2.11 115.31 107.94 3min h LEU 288 Ca -0.46 0.02 0.13 0.00 0.09 0.00 0.00 57.88 57.66 3min h LEU 288 Cb 1.24 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 3min h LEU 288 CO 0.54 0.34 0.51 0.21 0.09 0.00 0.00 178.44 180.13 3min s ASN 289 N -5.58 -0.04 -0.06 -0.43 3.84 -1.26 -4.55 114.94 106.86 3min s ASN 289 Ca -0.13 -0.70 0.02 0.00 0.21 0.00 0.00 52.86 52.26 3min s ASN 289 Cb 0.14 0.56 0.02 0.00 -0.55 0.00 0.00 41.25 41.42 3min s ASN 289 CO 0.75 -1.10 -0.09 -0.89 -2.79 0.00 0.00 177.10 172.98 3min s THR 290 N -2.44 0.89 -0.14 -5.21 2.01 -1.26 -1.32 115.64 108.17 3min s THR 290 Ca 0.19 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 3min s THR 290 Cb -0.03 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 3min s THR 290 CO 0.06 0.30 0.02 -0.69 -0.69 0.00 0.00 174.62 173.62 3min s VAL 291 N 0.81 4.43 -0.36 3.82 1.01 0.54 -4.34 120.40 126.29 3min s VAL 291 Ca -0.12 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 3min s VAL 291 Cb -0.15 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3min s VAL 291 CO 0.02 0.53 0.23 -0.76 0.00 0.00 0.00 175.10 175.11 3min s LEU 292 N -0.14 4.66 0.42 3.92 1.43 -1.26 -1.38 118.68 126.32 3min s LEU 292 Ca 0.05 -0.76 0.22 0.00 -1.03 0.00 0.00 54.13 52.62 3min s LEU 292 Cb -0.12 -2.08 0.87 0.00 0.03 0.00 0.00 46.19 44.89 3min s LEU 292 CO 0.02 -0.33 1.82 -0.07 0.23 0.00 0.00 176.35 178.01 3min h LEU 293 N 8.48 0.00 -6.15 1.79 3.38 -1.21 -3.34 115.31 118.26 3min h LEU 293 Ca -0.28 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.11 3min h LEU 293 Cb 1.13 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.48 3min h LEU 293 CO 0.67 0.28 -0.88 0.00 0.09 0.00 0.00 178.44 178.59 3min n GLN 294 N -3.50 1.41 -0.29 1.13 6.02 -1.26 -4.00 117.38 116.90 3min n GLN 294 Ca -0.00 -3.82 0.09 0.00 -0.01 0.00 0.00 57.00 53.25 3min n GLN 294 Cb 0.44 -1.69 0.32 0.00 1.02 0.00 0.00 30.24 30.33 3min n GLN 294 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3min h PRO 295 N 4.24 0.81 0.00 -1.09 0.11 -1.87 -2.39 132.00 131.82 3min h PRO 295 Ca 0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3min h PRO 295 Cb 0.79 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3min h PRO 295 CO 0.61 0.54 0.00 0.91 -0.21 0.00 0.00 178.00 179.85 3min n TRP 296 N -4.55 0.00 -2.33 0.65 7.02 -1.26 -1.66 117.44 115.31 3min n TRP 296 Ca 0.16 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.69 3min n TRP 296 Cb 0.36 -0.10 0.06 0.00 -2.42 0.00 0.00 31.31 29.21 3min n TRP 296 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 3min n HIS 297 N -1.10 0.01 -2.27 -5.99 1.44 -0.90 -4.80 115.22 101.61 3min n HIS 297 Ca 0.08 -0.69 -0.07 0.00 -2.01 0.00 0.00 57.72 55.03 3min n HIS 297 Cb 0.06 -0.17 0.06 0.00 0.12 0.00 0.00 29.99 30.07 3min n HIS 297 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3min n LEU 298 N 0.19 2.87 -0.05 2.39 4.77 -0.66 -4.31 117.00 122.21 3min n LEU 298 Ca 0.08 -3.63 -0.11 0.00 -0.03 0.00 0.00 56.01 52.32 3min n LEU 298 Cb 1.06 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 42.04 3min n LEU 298 CO -0.04 1.40 0.86 -0.33 -1.33 0.00 0.00 177.39 177.94 3min h GLU 299 N 1.91 0.27 -0.55 3.23 4.39 -1.87 -0.13 114.58 121.82 3min h GLU 299 Ca 0.05 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 3min h GLU 299 Cb 1.42 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.00 3min h GLU 299 CO 0.34 0.33 0.08 -0.22 -1.16 0.00 0.00 179.01 178.38 3min h LYS 300 N 0.14 0.92 -0.90 2.33 3.64 -1.91 -1.52 116.57 119.26 3min h LYS 300 Ca 0.06 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 3min h LYS 300 Cb 0.16 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3min h LYS 300 CO -0.01 0.89 0.52 1.15 -2.27 0.00 0.00 179.45 179.74 3min h THR 301 N 0.81 1.25 0.27 1.00 2.02 -1.79 -1.90 112.91 114.57 3min h THR 301 Ca 0.17 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3min h THR 301 Cb 0.42 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3min h THR 301 CO 0.01 0.27 -0.13 0.50 0.37 0.00 0.00 175.52 176.54 3min h LYS 302 N 1.25 -0.35 -0.92 6.66 3.64 -0.38 0.17 116.57 126.63 3min h LYS 302 Ca 0.32 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.85 3min h LYS 302 Cb -0.02 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 31.79 3min h LYS 302 CO -0.06 -0.18 0.54 0.87 -2.27 0.00 0.00 179.45 178.35 3min h LYS 303 N -0.45 0.79 -0.13 1.90 1.57 -1.15 0.38 116.57 119.49 3min h LYS 303 Ca -0.04 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 3min h LYS 303 Cb 0.34 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3min h LYS 303 CO 0.06 0.52 -0.38 0.35 -0.57 0.00 0.00 179.45 179.43 3min h PHE 304 N 0.81 0.64 -0.75 -1.35 3.57 -1.02 0.21 116.94 119.05 3min h PHE 304 Ca 0.47 -0.25 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 3min h PHE 304 Cb 0.56 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3min h PHE 304 CO -0.04 1.00 0.25 0.28 -2.23 0.00 0.00 178.31 177.57 3min h VAL 305 N 0.10 1.26 0.30 1.41 2.07 -0.07 0.65 116.25 121.97 3min h VAL 305 Ca -0.01 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3min h VAL 305 Cb 1.00 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3min h VAL 305 CO 0.08 0.35 -0.15 -0.33 0.02 0.00 0.00 177.57 177.55 3min h GLU 306 N 1.11 -0.39 -0.38 1.57 5.08 -0.97 -2.29 114.58 118.31 3min h GLU 306 Ca 0.24 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3min h GLU 306 Cb 0.29 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3min h GLU 306 CO -0.01 -0.26 0.23 0.78 -1.00 0.00 0.00 179.01 178.75 3min h GLY 307 N -0.93 0.54 0.00 -3.84 0.00 -0.57 0.31 103.07 98.58 3min h GLY 307 Ca -0.04 -0.21 -0.21 0.00 0.00 0.00 0.00 47.33 46.86 3min h GLY 307 CO 0.07 0.21 -1.78 2.41 0.00 0.00 0.00 176.54 177.44 3min n THR 308 N -4.46 0.78 1.12 4.70 -1.04 0.21 -4.59 114.28 111.01 3min n THR 308 Ca 0.03 -0.28 0.13 0.00 -2.04 0.00 0.00 64.05 61.89 3min n THR 308 Cb 0.08 -1.12 0.52 0.00 -1.82 0.00 0.00 70.33 67.99 3min n THR 308 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 3min n TRP 309 N -3.04 0.00 -3.67 -1.42 8.01 -0.96 -4.94 117.44 111.42 3min n TRP 309 Ca -0.25 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.70 3min n TRP 309 Cb 0.75 -0.34 0.06 0.00 -2.01 0.00 0.00 31.31 29.77 3min n TRP 309 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3min n LYS 310 N -1.35 -6.50 -3.71 -0.99 4.76 0.10 -4.90 118.16 105.57 3min n LYS 310 Ca 0.09 0.73 -0.36 0.00 -2.87 0.00 0.00 58.31 55.90 3min n LYS 310 Cb 0.32 -5.65 -0.07 0.00 -1.84 0.00 0.00 35.03 27.79 3min n LYS 310 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3min s HIS 311 N -3.39 3.52 -1.04 2.13 3.76 -0.99 -4.99 115.29 114.29 3min s HIS 311 Ca 0.39 0.52 -0.19 0.00 -0.15 0.00 0.00 55.06 55.64 3min s HIS 311 Cb -0.18 -2.14 0.12 0.00 1.11 0.00 0.00 32.58 31.48 3min s HIS 311 CO 0.77 0.46 1.32 -1.21 -0.85 0.00 0.00 174.74 175.23 3min s GLU 312 N -0.21 3.73 0.02 1.40 2.02 -1.26 -4.11 118.70 120.29 3min s GLU 312 Ca 0.14 -1.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.02 3min s GLU 312 Cb -0.12 -5.10 -0.09 0.00 0.10 0.00 0.00 34.13 28.91 3min s GLU 312 CO 0.03 -1.92 1.99 0.28 0.02 0.00 0.00 175.26 175.66 3min n VAL 313 N 5.71 0.75 -1.77 2.63 0.31 -1.26 -4.88 118.33 119.83 3min n VAL 313 Ca 0.31 -0.15 -0.41 0.00 -0.01 0.00 0.00 64.34 64.07 3min n VAL 313 Cb 0.48 -2.32 -0.00 0.00 -0.91 0.00 0.00 33.84 31.09 3min n VAL 313 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3min n PRO 314 N 7.57 2.65 -2.63 5.55 -0.02 -1.26 -4.89 135.00 141.98 3min n PRO 314 Ca 0.21 0.93 -0.42 0.00 -2.02 0.00 0.00 63.50 62.20 3min n PRO 314 Cb 0.41 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 3min n PRO 314 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3min s LYS 315 N -1.94 3.50 0.03 -0.52 2.20 -1.26 -4.84 119.74 116.91 3min s LYS 315 Ca 0.54 -1.07 0.08 0.00 -0.36 0.00 0.00 55.97 55.16 3min s LYS 315 Cb -0.48 -5.04 -0.02 0.00 -1.51 0.00 0.00 37.83 30.77 3min s LYS 315 CO 0.62 -2.11 -0.23 -0.51 -0.36 0.00 0.00 175.35 172.76 3min s LEU 316 N 4.68 2.14 0.63 5.43 1.43 -1.26 -5.12 118.68 126.61 3min s LEU 316 Ca 0.41 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3min s LEU 316 Cb -0.03 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 45.09 3min s LEU 316 CO -0.05 0.22 0.95 0.20 0.23 0.00 0.00 176.35 177.90 3min s ASN 317 N -1.06 5.43 0.13 2.29 -0.87 -1.26 -4.80 114.94 114.80 3min s ASN 317 Ca 0.09 0.72 -0.35 0.00 -1.57 0.00 0.00 52.86 51.75 3min s ASN 317 Cb -0.09 -1.62 -0.16 0.00 -0.02 0.00 0.00 41.25 39.36 3min s ASN 317 CO 0.01 -1.20 1.30 0.00 -2.57 0.00 0.00 177.10 174.65 3min n ILE 318 N -2.70 0.38 -1.73 0.60 3.06 -1.26 -4.80 119.36 112.91 3min n ILE 318 Ca 0.05 -0.09 -0.40 0.00 -2.50 0.00 0.00 62.75 59.81 3min n ILE 318 Cb 0.58 -0.94 -0.03 0.00 0.54 0.00 0.00 39.64 39.79 3min n ILE 318 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 3min n PRO 319 N 2.31 2.22 -5.21 9.51 -0.04 -1.26 -4.79 135.00 137.73 3min n PRO 319 Ca 0.17 -2.43 -0.30 0.00 -0.04 0.00 0.00 63.50 60.90 3min n PRO 319 Cb 0.23 -3.27 -0.16 0.00 -0.04 0.00 0.00 33.50 30.26 3min n PRO 319 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3min s MET 320 N 4.58 2.09 0.00 0.54 -1.94 -1.26 -0.70 119.30 122.61 3min s MET 320 Ca 0.56 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.67 3min s MET 320 Cb 0.10 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 35.00 3min s MET 320 CO 0.05 0.48 0.00 0.41 -0.01 0.00 0.00 175.02 175.95 3min n GLY 321 N 2.62 -0.62 0.13 -0.03 0.00 -1.26 -4.00 105.19 102.03 3min n GLY 321 Ca -0.16 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 3min n GLY 321 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3min h LEU 322 N 0.00 -0.17 -0.45 0.99 5.85 -1.94 -2.85 115.31 116.75 3min h LEU 322 Ca 0.00 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 3min h LEU 322 Cb 0.00 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3min h LEU 322 CO 0.00 0.39 0.21 0.44 -0.34 0.00 0.00 178.44 179.14 3min h ASP 323 N -0.84 0.59 1.22 1.25 3.32 -1.98 -1.27 116.42 118.70 3min h ASP 323 Ca -0.02 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 3min h ASP 323 Cb 0.53 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3min h ASP 323 CO 0.03 0.56 -0.11 -0.50 -1.72 0.00 0.00 179.24 177.50 3min h TRP 324 N 0.58 0.00 0.03 4.55 6.55 -1.70 0.07 115.95 126.02 3min h TRP 324 Ca 0.15 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 59.78 3min h TRP 324 Cb 0.13 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 3min h TRP 324 CO -0.01 0.11 -0.97 1.15 -1.05 0.00 0.00 178.44 177.68 3min h THR 325 N 0.00 1.53 0.20 1.49 2.02 -1.16 -2.47 112.91 114.53 3min h THR 325 Ca -0.00 -2.83 -0.01 0.00 0.77 0.00 0.00 66.41 64.34 3min h THR 325 Cb 0.75 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 3min h THR 325 CO 0.01 0.82 -0.10 0.44 0.37 0.00 0.00 175.52 177.07 3min h ASP 326 N 0.09 -0.23 -0.82 4.18 3.32 -0.62 -1.42 116.42 120.92 3min h ASP 326 Ca -0.06 -0.14 0.11 0.00 0.02 0.00 0.00 57.03 56.96 3min h ASP 326 Cb 1.64 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 41.17 3min h ASP 326 CO 0.15 0.01 0.45 -0.33 -1.72 0.00 0.00 179.24 177.79 3min h GLU 327 N -0.48 0.70 0.03 3.56 5.08 -1.08 -1.30 114.58 121.10 3min h GLU 327 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3min h GLU 327 Cb 0.36 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3min h GLU 327 CO 0.05 0.46 -0.01 0.35 -1.00 0.00 0.00 179.01 178.86 3min h PHE 328 N 0.72 -0.04 -0.28 4.33 3.57 -1.31 -1.39 116.94 122.55 3min h PHE 328 Ca 0.41 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.83 3min h PHE 328 Cb 0.44 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3min h PHE 328 CO -0.07 0.03 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.79 3min h LEU 329 N -0.09 0.48 -0.19 0.59 3.38 -0.66 -1.79 115.31 117.03 3min h LEU 329 Ca -0.00 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 3min h LEU 329 Cb 0.08 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.71 3min h LEU 329 CO 0.01 0.67 -0.58 0.24 0.09 0.00 0.00 178.44 178.86 3min h MET 330 N 0.45 0.74 -0.42 1.13 2.86 -1.08 -0.42 114.93 118.18 3min h MET 330 Ca 0.08 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 3min h MET 330 Cb 0.55 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3min h MET 330 CO 0.04 1.15 0.23 -0.22 1.06 0.00 0.00 176.91 179.17 3min h LYS 331 N 0.45 0.58 -0.75 1.72 1.63 -1.10 -0.71 116.57 118.40 3min h LYS 331 Ca -0.02 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.73 3min h LYS 331 Cb 1.20 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.68 3min h LYS 331 CO 0.12 0.47 0.49 0.28 -3.45 0.00 0.00 179.45 177.36 3min h VAL 332 N 0.54 1.16 -0.28 2.00 2.07 -1.26 -1.76 116.25 118.72 3min h VAL 332 Ca 0.15 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.39 3min h VAL 332 Cb 0.06 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 29.87 3min h VAL 332 CO -0.02 0.18 -0.05 -1.28 0.02 0.00 0.00 177.57 176.41 3min h SER 333 N 0.97 -0.22 0.30 0.57 0.87 -0.31 -1.03 113.55 114.70 3min h SER 333 Ca 0.29 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3min h SER 333 Cb -0.06 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3min h SER 333 CO -0.08 -0.07 -0.44 -0.08 -0.53 0.00 0.00 176.83 175.62 3min h GLU 334 N 0.02 -0.77 -0.50 2.24 4.81 -0.55 0.20 114.58 120.04 3min h GLU 334 Ca 0.13 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3min h GLU 334 Cb 0.20 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3min h GLU 334 CO -0.27 -0.51 0.25 0.82 -0.73 0.00 0.00 179.01 178.57 3min h ILE 335 N -0.79 1.18 0.00 2.32 2.04 -1.24 -3.12 117.51 117.90 3min h ILE 335 Ca -0.02 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3min h ILE 335 Cb 0.75 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3min h ILE 335 CO -0.15 0.20 -0.09 0.77 0.00 0.00 0.00 178.15 178.88 3min h SER 336 N 0.66 0.00 -0.12 1.72 4.64 -0.93 -3.47 113.55 116.05 3min h SER 336 Ca 0.17 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 3min h SER 336 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3min h SER 336 CO -0.02 0.01 -0.05 0.61 -0.87 0.00 0.00 176.83 176.50 3min n GLY 337 N 1.20 0.54 3.83 -0.77 0.00 0.67 -5.00 105.19 105.66 3min n GLY 337 Ca 0.04 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3min n GLY 337 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3min s GLN 338 N -1.36 3.82 0.65 1.61 -1.52 -1.09 -5.03 119.66 116.73 3min s GLN 338 Ca 0.00 0.21 -0.15 0.00 -1.95 0.00 0.00 55.36 53.47 3min s GLN 338 Cb 0.00 -3.24 -0.01 0.00 -0.22 0.00 0.00 33.01 29.54 3min s GLN 338 CO 0.00 0.66 1.09 -2.14 -0.25 0.00 0.00 175.29 174.64 3min s PRO 339 N -0.85 2.93 -0.33 2.91 0.02 -1.26 -4.38 135.00 134.04 3min s PRO 339 Ca 0.20 1.28 -0.29 0.00 0.02 0.00 0.00 61.00 62.21 3min s PRO 339 Cb -0.15 -1.98 0.02 0.00 0.02 0.00 0.00 34.50 32.41 3min s PRO 339 CO 0.09 -1.13 1.09 0.42 -0.33 0.00 0.00 177.00 177.14 3min s ILE 340 N -2.47 4.47 0.71 2.83 1.01 -1.26 -4.88 121.20 121.60 3min s ILE 340 Ca 0.65 1.68 -0.14 0.00 0.00 0.00 0.00 60.65 62.84 3min s ILE 340 Cb -0.18 -4.42 0.02 0.00 0.01 0.00 0.00 42.46 37.90 3min s ILE 340 CO 0.42 -0.51 1.12 -2.16 0.00 0.00 0.00 174.94 173.81 3min s PRO 341 N 3.73 2.50 0.52 2.79 0.04 -1.26 -4.82 135.00 138.50 3min s PRO 341 Ca 0.46 1.41 0.29 0.00 0.04 0.00 0.00 61.00 63.20 3min s PRO 341 Cb -0.12 -1.91 1.42 0.00 0.04 0.00 0.00 34.50 33.93 3min s PRO 341 CO 0.17 -1.49 1.91 0.00 0.04 0.00 0.00 177.00 177.62 3min h ALA 342 N -0.35 2.72 -0.38 8.56 0.00 -1.95 -0.84 119.26 127.00 3min h ALA 342 Ca -0.46 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 3min h ALA 342 Cb 1.25 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3min h ALA 342 CO 0.52 -0.96 -0.27 0.66 0.00 0.00 0.00 179.25 179.21 3min h SER 343 N 0.05 0.82 0.40 0.00 4.64 -1.96 -1.21 113.55 116.29 3min h SER 343 Ca 0.40 -0.32 -0.23 0.00 -0.47 0.00 0.00 61.79 61.17 3min h SER 343 Cb 1.53 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3min h SER 343 CO -0.02 1.04 -0.97 -0.07 -0.87 0.00 0.00 176.83 175.94 3min h LEU 344 N 0.69 0.49 -0.37 5.97 3.38 -1.53 -2.14 115.31 121.79 3min h LEU 344 Ca 0.09 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3min h LEU 344 Cb 0.80 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3min h LEU 344 CO 0.07 1.22 0.23 0.74 0.09 0.00 0.00 178.44 180.79 3min h THR 345 N 0.20 1.12 -0.25 0.22 2.02 -1.26 -1.95 112.91 113.00 3min h THR 345 Ca -0.08 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.88 3min h THR 345 Cb 1.62 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 3min h THR 345 CO 0.17 0.11 0.04 0.50 0.37 0.00 0.00 175.52 176.71 3min h LYS 346 N 0.49 0.13 -0.98 6.66 3.64 -1.20 -2.33 116.57 122.99 3min h LYS 346 Ca 0.13 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.59 3min h LYS 346 Cb -0.02 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.71 3min h LYS 346 CO -0.03 0.09 0.63 1.49 -2.27 0.00 0.00 179.45 179.36 3min h GLU 347 N 0.13 1.04 -0.35 1.90 4.81 -1.17 0.78 114.58 121.73 3min h GLU 347 Ca 0.11 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3min h GLU 347 Cb 0.12 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3min h GLU 347 CO -0.16 0.69 0.20 -0.09 -0.73 0.00 0.00 179.01 178.93 3min h ARG 348 N 1.07 0.41 -0.09 1.92 2.43 -0.85 -1.25 114.38 118.01 3min h ARG 348 Ca 0.44 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.52 3min h ARG 348 Cb 0.29 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3min h ARG 348 CO -0.19 0.27 -0.26 0.78 -1.51 0.00 0.00 179.97 179.06 3min h GLY 349 N 0.42 0.18 1.37 2.80 0.00 -0.71 -0.56 103.07 106.57 3min h GLY 349 Ca 0.14 -0.13 -0.22 0.00 0.00 0.00 0.00 47.33 47.12 3min h GLY 349 CO -0.06 0.12 -0.85 3.21 0.00 0.00 0.00 176.54 178.96 3min h ARG 350 N 0.15 0.59 -0.55 4.80 3.08 -0.45 -0.06 114.38 121.94 3min h ARG 350 Ca 0.02 -0.54 -0.01 0.00 0.07 0.00 0.00 59.98 59.53 3min h ARG 350 Cb 0.55 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 3min h ARG 350 CO 0.04 1.16 0.32 1.25 -1.07 0.00 0.00 179.97 181.67 3min h LEU 351 N 0.38 0.67 -1.18 3.04 5.85 -0.85 -1.90 115.31 121.32 3min h LEU 351 Ca -0.07 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 3min h LEU 351 Cb 1.47 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 3min h LEU 351 CO 0.16 0.55 -0.13 0.58 -0.34 0.00 0.00 178.44 179.26 3min h VAL 352 N 0.74 1.22 -0.74 1.05 2.07 -0.90 -1.28 116.25 118.42 3min h VAL 352 Ca 0.20 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3min h VAL 352 Cb 0.01 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3min h VAL 352 CO -0.04 0.31 0.27 -0.78 0.02 0.00 0.00 177.57 177.36 3min h ASP 353 N 0.39 1.04 -0.48 0.57 1.82 -0.69 -1.48 116.42 117.58 3min h ASP 353 Ca 0.07 -0.19 -0.08 0.00 -0.39 0.00 0.00 57.03 56.45 3min h ASP 353 Cb 0.46 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 3min h ASP 353 CO 0.03 0.95 0.00 0.24 -1.61 0.00 0.00 179.24 178.84 3min h MET 354 N 1.08 0.91 -0.58 0.28 2.86 -0.55 -1.86 114.93 117.08 3min h MET 354 Ca 0.24 -0.26 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3min h MET 354 Cb 0.25 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 3min h MET 354 CO -0.02 0.90 0.38 0.52 1.06 0.00 0.00 176.91 179.75 3min h MET 355 N 0.84 0.74 -0.40 1.72 2.86 -0.78 -1.59 114.93 118.32 3min h MET 355 Ca 0.16 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 3min h MET 355 Cb 0.50 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3min h MET 355 CO 0.02 0.49 -0.20 1.79 1.06 0.00 0.00 176.91 180.08 3min h THR 356 N 0.77 1.27 0.00 2.22 1.35 -0.94 -1.40 112.91 116.17 3min h THR 356 Ca 0.21 -1.30 -0.10 0.00 -0.55 0.00 0.00 66.41 64.68 3min h THR 356 Cb -0.07 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 3min h THR 356 CO -0.05 0.44 -0.46 0.44 -0.25 0.00 0.00 175.52 175.64 3min h ASP 357 N 0.69 0.00 -0.01 5.36 3.32 -1.16 -3.30 116.42 121.31 3min h ASP 357 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3min h ASP 357 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3min h ASP 357 CO 0.05 0.46 -0.22 -1.20 -1.72 0.00 0.00 179.24 176.61 3min n SER 358 N -3.94 1.89 -0.05 6.45 7.64 -0.61 -4.68 113.62 120.30 3min n SER 358 Ca -0.02 -1.44 0.14 0.00 1.01 0.00 0.00 58.87 58.56 3min n SER 358 Cb 0.49 0.31 0.54 0.00 -1.01 0.00 0.00 64.21 64.54 3min n SER 358 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 3min h HIS 359 N 2.30 0.33 0.00 1.43 2.07 -1.34 -2.60 115.15 117.34 3min h HIS 359 Ca 0.00 0.01 -0.09 0.00 -2.85 0.00 0.00 60.37 57.44 3min h HIS 359 Cb 0.60 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 30.46 3min h HIS 359 CO 0.00 0.15 -0.44 1.79 -3.07 0.00 0.00 177.93 176.36 3min h THR 360 N 0.31 1.07 0.07 6.12 1.35 -1.85 -1.16 112.91 118.82 3min h THR 360 Ca 0.26 -1.66 -0.27 0.00 -0.55 0.00 0.00 66.41 64.19 3min h THR 360 Cb 0.62 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 3min h THR 360 CO -0.06 0.43 -1.35 -0.50 -0.25 0.00 0.00 175.52 173.79 3min h TRP 361 N 0.00 0.26 0.00 4.73 4.06 -1.82 -3.35 115.95 119.82 3min h TRP 361 Ca -0.00 -0.19 -0.04 0.00 2.06 0.00 0.00 58.89 60.71 3min h TRP 361 Cb 0.93 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.07 3min h TRP 361 CO 0.00 1.19 -0.21 -0.07 -3.56 0.00 0.00 178.44 175.79 3min h LEU 362 N 0.04 0.00 -9.20 -4.49 3.38 -1.27 -3.45 115.31 100.32 3min h LEU 362 Ca -0.16 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.25 3min h LEU 362 Cb 1.93 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.69 3min h LEU 362 CO 0.15 0.21 1.33 -2.28 0.09 0.00 0.00 178.44 177.94 3min s HIS 363 N -3.24 1.25 0.00 1.13 2.46 -0.46 -2.01 115.29 114.42 3min s HIS 363 Ca 0.04 -0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.53 3min s HIS 363 Cb 0.07 -4.11 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 3min s HIS 363 CO 0.68 -4.93 0.00 0.41 -2.47 0.00 0.00 174.74 168.43 3min n GLY 364 N 5.03 0.67 3.75 1.59 0.00 0.93 -4.98 105.19 112.18 3min n GLY 364 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3min n GLY 364 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3min s LYS 365 N -0.11 4.38 -0.18 1.61 -0.14 -0.85 -4.60 119.74 119.85 3min s LYS 365 Ca 0.00 2.13 -0.11 0.00 -1.36 0.00 0.00 55.97 56.63 3min s LYS 365 Cb 0.00 -3.14 -0.05 0.00 -1.68 0.00 0.00 37.83 32.97 3min s LYS 365 CO 0.00 -0.22 0.18 1.03 -0.76 0.00 0.00 175.35 175.59 3min s ARG 366 N -0.85 4.14 0.05 1.68 0.52 -1.26 -0.83 118.95 122.40 3min s ARG 366 Ca 0.53 -0.11 0.06 0.00 -0.52 0.00 0.00 55.73 55.69 3min s ARG 366 Cb -0.38 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 31.67 3min s ARG 366 CO 0.44 0.33 -0.17 -0.06 0.02 0.00 0.00 175.30 175.87 3min s PHE 367 N 0.25 1.45 -0.02 -0.53 0.08 -0.63 -0.59 117.98 117.99 3min s PHE 367 Ca 0.11 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.82 3min s PHE 367 Cb -0.12 -0.85 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 3min s PHE 367 CO 0.00 0.07 -0.11 0.00 -0.10 0.00 0.00 175.22 175.08 3min s ALA 368 N -0.92 2.81 0.02 5.36 0.00 -0.40 -1.46 121.76 127.17 3min s ALA 368 Ca 0.03 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 3min s ALA 368 Cb -0.09 -1.02 0.05 0.00 0.00 0.00 0.00 23.12 22.06 3min s ALA 368 CO 0.02 0.58 0.51 -1.17 0.00 0.00 0.00 175.76 175.69 3min s LEU 369 N -1.05 0.01 0.25 0.00 0.20 0.12 -0.56 118.68 117.66 3min s LEU 369 Ca 0.14 0.25 -0.13 0.00 0.69 0.00 0.00 54.13 55.07 3min s LEU 369 Cb -0.11 2.03 -0.00 0.00 -0.43 0.00 0.00 46.19 47.68 3min s LEU 369 CO 0.03 -0.65 0.50 -1.66 -0.29 0.00 0.00 176.35 174.28 3min s TRP 370 N -2.04 0.36 -5.00 5.38 -2.14 -1.15 -1.25 118.94 113.10 3min s TRP 370 Ca -0.08 -0.72 0.00 0.00 2.66 0.00 0.00 56.10 57.96 3min s TRP 370 Cb -0.01 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.58 3min s TRP 370 CO 0.01 -1.02 0.00 0.41 -2.66 0.00 0.00 176.95 173.69 3min n GLY 371 N -0.40 0.37 3.85 3.67 0.00 -1.21 -4.75 105.19 106.72 3min n GLY 371 Ca -0.02 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 3min n GLY 371 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3min s ASP 372 N -4.00 6.52 0.17 1.61 1.01 -1.26 -4.48 116.67 116.24 3min s ASP 372 Ca 0.00 1.45 -0.17 0.00 0.71 0.00 0.00 52.55 54.54 3min s ASP 372 Cb 0.00 -2.46 0.12 0.00 1.01 0.00 0.00 42.92 41.59 3min s ASP 372 CO 0.00 -0.61 1.65 1.55 0.21 0.00 0.00 175.17 177.97 3min h PRO 373 N 0.71 -0.02 -0.45 8.23 0.13 -1.95 -0.34 132.00 138.31 3min h PRO 373 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 3min h PRO 373 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3min h PRO 373 CO 0.62 -0.01 -0.20 -0.44 -0.23 0.00 0.00 178.00 177.74 3min h ASP 374 N -0.02 0.91 0.31 1.44 3.32 -1.92 -2.27 116.42 118.19 3min h ASP 374 Ca 0.21 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 3min h ASP 374 Cb 0.35 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3min h ASP 374 CO -0.47 1.09 -0.15 0.15 -1.72 0.00 0.00 179.24 178.14 3min h PHE 375 N 0.78 -0.39 -0.06 4.55 3.57 -1.84 -2.36 116.94 121.19 3min h PHE 375 Ca 0.11 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3min h PHE 375 Cb 0.75 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 3min h PHE 375 CO 0.04 -0.18 -0.03 0.28 -2.23 0.00 0.00 178.31 176.19 3min h VAL 376 N -0.51 0.89 -0.32 1.41 2.07 -1.02 -0.83 116.25 117.94 3min h VAL 376 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3min h VAL 376 Cb 0.38 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3min h VAL 376 CO 0.07 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.76 3min h MET 377 N -0.03 0.45 -0.32 1.57 -0.00 -1.41 0.56 114.93 115.75 3min h MET 377 Ca 0.04 -0.06 -0.11 0.00 -0.00 0.00 0.00 59.70 59.56 3min h MET 377 Cb 0.09 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 3min h MET 377 CO -0.08 0.40 -0.27 0.78 -0.00 0.00 0.00 176.91 177.74 3min h GLY 378 N 0.64 0.70 1.09 -3.00 0.00 -0.94 -0.21 103.07 101.35 3min h GLY 378 Ca 0.11 -0.61 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 3min h GLY 378 CO -0.01 0.55 -0.34 -2.00 0.00 0.00 0.00 176.54 174.75 3min h LEU 379 N 0.56 0.96 0.26 3.11 6.46 -0.28 -1.51 115.31 124.87 3min h LEU 379 Ca 0.07 -0.46 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 3min h LEU 379 Cb 0.75 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 3min h LEU 379 CO 0.06 1.22 -0.18 0.58 -0.62 0.00 0.00 178.44 179.49 3min h VAL 380 N 0.72 0.61 -0.31 1.05 2.07 -0.77 -0.16 116.25 119.46 3min h VAL 380 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 3min h VAL 380 Cb 0.93 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3min h VAL 380 CO 0.09 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 178.14 3min h LYS 381 N -0.44 0.05 -0.47 1.57 1.63 -0.92 -1.15 116.57 116.84 3min h LYS 381 Ca -0.02 -0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.69 3min h LYS 381 Cb 0.38 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 3min h LYS 381 CO 0.01 0.03 -0.06 0.35 -3.45 0.00 0.00 179.45 176.33 3min h PHE 382 N 0.05 0.88 -0.86 1.91 3.57 -1.19 -1.94 116.94 119.36 3min h PHE 382 Ca 0.15 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3min h PHE 382 Cb 0.22 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3min h PHE 382 CO -0.26 0.84 0.52 -0.07 -2.23 0.00 0.00 178.31 177.12 3min h LEU 383 N 0.75 1.04 -0.77 0.59 3.38 -0.17 -1.08 115.31 119.04 3min h LEU 383 Ca 0.13 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3min h LEU 383 Cb 0.54 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3min h LEU 383 CO 0.03 0.80 0.05 -0.07 0.09 0.00 0.00 178.44 179.34 3min h LEU 384 N 1.19 0.94 -1.60 1.67 3.38 -0.99 -0.30 115.31 119.61 3min h LEU 384 Ca 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3min h LEU 384 Cb -0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 3min h LEU 384 CO -0.06 0.97 -0.06 -0.33 0.09 0.00 0.00 178.44 179.06 3min h GLU 385 N 0.91 0.00 -0.01 1.13 5.08 -0.63 -1.73 114.58 119.34 3min h GLU 385 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3min h GLU 385 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3min h GLU 385 CO 0.02 0.06 -0.22 1.28 -1.00 0.00 0.00 179.01 179.14 3min n LEU 386 N -3.21 0.79 0.00 1.33 4.77 -0.48 -4.94 117.00 115.26 3min n LEU 386 Ca -0.00 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3min n LEU 386 Cb 0.30 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3min n LEU 386 CO 0.28 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3min n GLY 387 N 1.34 0.50 3.89 -0.72 0.00 -0.65 -4.47 105.19 105.08 3min n GLY 387 Ca 0.12 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 3min n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3min s GLU 389 N -4.00 3.08 -1.33 0.00 2.02 -0.01 -4.04 118.70 114.42 3min s GLU 389 Ca 0.39 -0.85 -0.14 0.00 0.02 0.00 0.00 54.97 54.39 3min s GLU 389 Cb -0.07 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 3min s GLU 389 CO 0.27 -0.39 2.29 -0.35 0.02 0.00 0.00 175.26 177.10 3min n PRO 390 N 4.80 2.70 -0.21 0.39 -0.05 -1.26 -1.60 135.00 139.78 3min n PRO 390 Ca -0.16 -2.34 -0.04 0.00 -0.05 0.00 0.00 63.50 60.91 3min n PRO 390 Cb 0.48 -3.10 0.06 0.00 -0.05 0.00 0.00 33.50 30.89 3min n PRO 390 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 3min h VAL 391 N 3.90 1.06 -3.59 0.52 2.07 -1.52 -3.40 116.25 115.29 3min h VAL 391 Ca 0.59 -0.25 -0.63 0.00 0.82 0.00 0.00 66.70 67.23 3min h VAL 391 Cb 0.56 0.27 -0.37 0.00 -1.52 0.00 0.00 31.29 30.23 3min h VAL 391 CO 1.86 0.13 -0.80 -1.00 0.02 0.00 0.00 177.57 177.78 3min s HIS 392 N -6.13 2.68 -0.29 1.57 3.76 -0.98 -1.94 115.29 113.97 3min s HIS 392 Ca -0.13 -1.85 -0.02 0.00 -0.15 0.00 0.00 55.06 52.91 3min s HIS 392 Cb 0.14 -1.72 0.04 0.00 1.11 0.00 0.00 32.58 32.16 3min s HIS 392 CO 0.75 -0.80 -0.01 0.42 -0.85 0.00 0.00 174.74 174.25 3min s ILE 393 N 1.30 2.97 -0.07 0.60 1.01 -0.86 -0.70 121.20 125.46 3min s ILE 393 Ca -0.04 -1.29 0.04 0.00 0.00 0.00 0.00 60.65 59.35 3min s ILE 393 Cb -0.18 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 3min s ILE 393 CO -0.07 -0.03 -0.18 -0.22 0.00 0.00 0.00 174.94 174.44 3min s LEU 394 N 1.27 2.50 -0.30 2.97 0.20 -0.38 -0.06 118.68 124.88 3min s LEU 394 Ca -0.04 -0.34 -0.02 0.00 0.69 0.00 0.00 54.13 54.42 3min s LEU 394 Cb -0.19 -1.50 0.12 0.00 -0.43 0.00 0.00 46.19 44.18 3min s LEU 394 CO -0.02 0.27 0.19 0.00 -0.29 0.00 0.00 176.35 176.50 3min h HIS 396 N 8.19 1.05 -0.74 0.00 2.76 -1.78 -2.28 115.15 122.35 3min h HIS 396 Ca -0.15 0.03 -0.33 0.00 -2.20 0.00 0.00 60.37 57.72 3min h HIS 396 Cb 1.03 -0.35 -0.20 0.00 1.55 0.00 0.00 27.41 29.44 3min h HIS 396 CO 0.30 0.59 0.35 0.27 -1.30 0.00 0.00 177.93 178.14 3min n ASN 397 N -4.46 3.74 -4.91 3.26 6.94 -1.26 -2.38 115.26 116.18 3min n ASN 397 Ca 0.12 -3.52 -0.27 0.00 -0.02 0.00 0.00 54.58 50.90 3min n ASN 397 Cb 0.14 -0.75 -0.00 0.00 -2.36 0.00 0.00 39.78 36.81 3min n ASN 397 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3min s GLY 398 N -1.56 1.48 0.36 4.83 0.00 -0.87 -4.84 107.32 106.72 3min s GLY 398 Ca 0.53 -0.60 0.08 0.00 0.00 0.00 0.00 44.72 44.73 3min s GLY 398 CO 0.09 -0.45 -0.06 0.54 0.00 0.00 0.00 173.10 173.23 3min s ASN 399 N -4.11 3.68 0.32 1.64 2.20 -1.26 -4.39 114.94 113.02 3min s ASN 399 Ca 0.46 -1.26 0.09 0.00 -0.94 0.00 0.00 52.86 51.22 3min s ASN 399 Cb -0.10 -0.35 0.88 0.00 -2.00 0.00 0.00 41.25 39.68 3min s ASN 399 CO 0.43 -0.30 1.73 0.11 -2.94 0.00 0.00 177.10 176.13 3min h LYS 400 N 1.96 0.58 -0.23 3.55 1.57 -1.99 -0.58 116.57 121.43 3min h LYS 400 Ca -0.42 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.19 3min h LYS 400 Cb 1.25 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3min h LYS 400 CO 0.74 0.38 -0.41 0.00 -0.57 0.00 0.00 179.45 179.59 3min h ARG 401 N 0.60 0.56 -0.22 3.15 3.08 -2.00 -2.34 114.38 117.21 3min h ARG 401 Ca 0.64 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 60.37 3min h ARG 401 Cb 1.20 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 3min h ARG 401 CO -0.46 0.87 0.00 2.35 -1.07 0.00 0.00 179.97 181.66 3min h TRP 402 N 0.46 0.42 -0.76 3.04 7.01 -1.65 -1.90 115.95 122.57 3min h TRP 402 Ca 0.04 -0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.00 3min h TRP 402 Cb 0.91 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.82 3min h TRP 402 CO 0.04 0.57 0.50 -0.22 -2.79 0.00 0.00 178.44 176.53 3min h LYS 403 N 0.16 0.89 0.02 2.65 3.64 -0.95 -1.00 116.57 121.98 3min h LYS 403 Ca 0.06 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3min h LYS 403 Cb 0.40 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3min h LYS 403 CO 0.01 0.59 -0.01 0.87 -2.27 0.00 0.00 179.45 178.64 3min h LYS 404 N 0.92 -0.03 -0.77 1.90 1.57 -1.29 -0.80 116.57 118.06 3min h LYS 404 Ca 0.30 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.20 3min h LYS 404 Cb 0.07 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.30 3min h LYS 404 CO -0.09 0.07 0.38 0.00 -0.57 0.00 0.00 179.45 179.24 3min h ALA 405 N 0.85 1.09 -0.19 3.86 0.00 -0.41 -0.93 119.26 123.53 3min h ALA 405 Ca -0.00 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 3min h ALA 405 Cb 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3min h ALA 405 CO 0.01 -0.07 -0.71 0.28 0.00 0.00 0.00 179.25 178.76 3min h VAL 406 N 0.60 1.28 -0.15 0.00 2.07 -1.14 -2.31 116.25 116.59 3min h VAL 406 Ca 0.40 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 3min h VAL 406 Cb 0.49 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3min h VAL 406 CO -0.32 0.61 0.04 0.44 0.02 0.00 0.00 177.57 178.36 3min h ASP 407 N 0.56 0.19 0.55 0.57 3.32 -0.37 0.13 116.42 121.36 3min h ASP 407 Ca -0.03 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 3min h ASP 407 Cb 1.33 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 3min h ASP 407 CO 0.15 0.20 -0.54 0.00 -1.72 0.00 0.00 179.24 177.32 3min h ALA 408 N 1.83 1.10 -0.26 3.45 0.00 -0.92 -0.16 119.26 124.31 3min h ALA 408 Ca 0.05 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 3min h ALA 408 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3min h ALA 408 CO -0.00 0.68 -0.35 0.82 0.00 0.00 0.00 179.25 180.39 3min h ILE 409 N 0.00 1.31 -0.37 0.00 2.04 -0.49 -3.04 117.51 116.96 3min h ILE 409 Ca -0.01 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 3min h ILE 409 Cb 0.96 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 3min h ILE 409 CO 0.07 0.49 0.17 -0.07 0.00 0.00 0.00 178.15 178.82 3min h LEU 410 N 0.42 0.48 -1.74 1.44 3.38 -0.85 -2.94 115.31 115.50 3min h LEU 410 Ca 0.03 -0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.02 3min h LEU 410 Cb 0.94 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 3min h LEU 410 CO 0.08 0.48 0.47 0.00 0.09 0.00 0.00 178.44 179.56 3min h ALA 411 N 1.03 2.27 -0.08 1.53 0.00 -1.04 -1.33 119.26 121.63 3min h ALA 411 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3min h ALA 411 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3min h ALA 411 CO -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 178.78 3min n ALA 412 N -2.57 2.49 -3.11 0.00 0.00 -1.11 -4.83 120.51 111.38 3min n ALA 412 Ca 0.13 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 3min n ALA 412 Cb 0.57 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.89 3min n ALA 412 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3min s SER 413 N -0.96 -0.10 0.58 0.00 0.15 -0.50 -5.00 113.70 107.87 3min s SER 413 Ca 0.05 0.21 0.28 0.00 0.70 0.00 0.00 55.95 57.19 3min s SER 413 Cb 0.03 0.20 1.64 0.00 -1.71 0.00 0.00 66.02 66.18 3min s SER 413 CO 0.03 -0.05 2.12 -0.65 1.20 0.00 0.00 173.24 175.90 3min h PRO 414 N 6.20 0.00 0.00 5.44 0.11 -1.88 -0.29 132.00 141.58 3min h PRO 414 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3min h PRO 414 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3min h PRO 414 CO 0.44 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.89 3min n TYR 415 N -3.90 0.71 1.03 0.65 4.01 -1.26 -3.11 117.16 115.29 3min n TYR 415 Ca 0.01 0.22 0.12 0.00 -0.16 0.00 0.00 57.90 58.09 3min n TYR 415 Cb 0.28 -0.85 0.34 0.00 -0.31 0.00 0.00 39.34 38.80 3min n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3min n GLY 416 N 1.13 -1.24 0.46 2.72 0.00 -0.12 -4.33 105.19 103.81 3min n GLY 416 Ca 0.05 -0.31 0.28 0.00 0.00 0.00 0.00 46.02 46.05 3min n GLY 416 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3min h LYS 417 N 0.10 0.00 -0.27 1.61 6.56 -1.61 -1.78 116.57 121.18 3min h LYS 417 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3min h LYS 417 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 3min h LYS 417 CO 0.00 0.00 0.00 0.09 -2.06 0.00 0.00 179.45 177.48 3min n ASN 418 N -4.25 3.65 -4.88 0.86 3.02 -1.26 -5.00 115.26 107.40 3min n ASN 418 Ca 0.18 -2.79 -0.36 0.00 -0.03 0.00 0.00 54.58 51.58 3min n ASN 418 Cb 0.94 -0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 3min n ASN 418 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3min s ALA 419 N -2.42 3.88 -0.02 5.41 0.00 -0.67 -4.64 121.76 123.29 3min s ALA 419 Ca 0.38 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.74 3min s ALA 419 Cb 0.29 -2.00 -0.00 0.00 0.00 0.00 0.00 23.12 21.41 3min s ALA 419 CO 0.10 0.64 -0.10 0.99 0.00 0.00 0.00 175.76 177.39 3min s THR 420 N -1.13 0.87 -0.13 0.00 2.01 -0.82 -5.02 115.64 111.42 3min s THR 420 Ca 0.20 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.67 3min s THR 420 Cb -0.13 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 3min s THR 420 CO 0.09 0.26 0.21 -0.69 -0.69 0.00 0.00 174.62 173.80 3min s VAL 421 N 0.08 5.38 -0.17 3.82 1.01 -1.26 -2.02 120.40 127.23 3min s VAL 421 Ca -0.02 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3min s VAL 421 Cb -0.08 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.82 3min s VAL 421 CO 0.00 0.52 -0.15 -0.31 0.00 0.00 0.00 175.10 175.16 3min s TYR 422 N -0.38 2.42 0.14 5.22 1.51 0.91 -4.98 117.35 122.18 3min s TYR 422 Ca 0.15 -1.44 0.06 0.00 -1.01 0.00 0.00 57.07 54.83 3min s TYR 422 Cb -0.13 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 3min s TYR 422 CO 0.04 -0.73 0.04 0.96 -1.11 0.00 0.00 175.55 174.74 3min s ILE 423 N 1.40 4.03 0.00 2.71 -4.36 -1.26 -0.75 121.20 122.97 3min s ILE 423 Ca 0.04 -1.17 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 3min s ILE 423 Cb -0.14 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 40.58 3min s ILE 423 CO -0.11 -0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.66 3min n GLY 424 N 0.07 0.43 3.96 6.27 0.00 -1.00 -4.94 105.19 109.98 3min n GLY 424 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 3min n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3min s LYS 425 N -0.65 3.45 0.30 1.61 3.01 -1.26 -4.95 119.74 121.24 3min s LYS 425 Ca 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 55.97 54.31 3min s LYS 425 Cb 0.00 -2.87 -0.00 0.00 -1.01 0.00 0.00 37.83 33.95 3min s LYS 425 CO 0.00 0.41 0.00 -0.40 0.51 0.00 0.00 175.35 175.87 3min n ASP 426 N -1.26 2.81 0.12 2.83 5.68 -1.26 -3.79 116.55 121.68 3min n ASP 426 Ca -0.08 -2.30 0.12 0.00 -0.50 0.00 0.00 54.79 52.04 3min n ASP 426 Cb 0.56 0.21 0.46 0.00 -1.14 0.00 0.00 41.12 41.21 3min n ASP 426 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3min n LEU 427 N 0.00 0.71 0.16 -2.12 4.77 -0.34 -1.74 117.00 118.44 3min n LEU 427 Ca -0.12 0.62 0.04 0.00 -0.03 0.00 0.00 56.01 56.52 3min n LEU 427 Cb 0.37 -0.47 0.09 0.00 -2.33 0.00 0.00 43.42 41.08 3min n LEU 427 CO 0.20 -0.39 0.55 -0.25 -1.33 0.00 0.00 177.39 176.17 3min h TRP 428 N 0.00 0.00 -0.13 -1.77 2.91 -1.72 -1.51 115.95 113.73 3min h TRP 428 Ca 0.00 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 3min h TRP 428 Cb 0.52 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.17 3min h TRP 428 CO 0.00 0.42 -0.08 0.45 -1.03 0.00 0.00 178.44 178.20 3min h HIS 429 N 0.00 0.33 -0.49 2.65 3.86 -1.62 -3.13 115.15 116.75 3min h HIS 429 Ca -0.00 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 3min h HIS 429 Cb 1.27 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.64 3min h HIS 429 CO 0.00 0.63 0.20 1.25 0.86 0.00 0.00 177.93 180.87 3min h LEU 430 N -0.07 0.63 -0.44 2.43 5.85 -1.35 -2.12 115.31 120.22 3min h LEU 430 Ca 0.03 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.76 3min h LEU 430 Cb 0.56 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 3min h LEU 430 CO 0.02 0.57 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.57 3min h ARG 431 N 0.69 0.08 -0.26 1.25 2.43 -1.26 -1.56 114.38 115.75 3min h ARG 431 Ca 0.17 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3min h ARG 431 Cb 0.13 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3min h ARG 431 CO -0.02 0.05 0.15 0.77 -1.51 0.00 0.00 179.97 179.41 3min h SER 432 N 0.08 0.32 -0.07 -3.80 0.02 -1.34 -2.88 113.55 105.88 3min h SER 432 Ca 0.22 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3min h SER 432 Cb 0.32 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3min h SER 432 CO -0.39 0.30 0.05 -0.07 -1.14 0.00 0.00 176.83 175.59 3min h LEU 433 N 0.31 0.00 -0.04 5.07 3.38 -0.96 0.54 115.31 123.62 3min h LEU 433 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3min h LEU 433 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3min h LEU 433 CO -0.02 0.00 -0.20 1.33 0.09 0.00 0.00 178.44 179.64 3min n VAL 434 N -4.48 0.00 -0.06 1.22 0.24 -0.67 -1.76 118.33 112.81 3min n VAL 434 Ca -0.01 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.34 62.08 3min n VAL 434 Cb 0.16 -0.16 -0.13 0.00 -1.47 0.00 0.00 33.84 32.24 3min n VAL 434 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3min h PHE 435 N 0.09 0.14 0.00 6.34 0.04 -0.74 -3.29 116.94 119.52 3min h PHE 435 Ca 0.00 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.63 3min h PHE 435 Cb 0.48 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 3min h PHE 435 CO 0.00 1.41 -0.69 1.79 -0.60 0.00 0.00 178.31 180.22 3min h THR 436 N -0.77 0.16 -2.03 -1.55 1.35 -1.33 -3.36 112.91 105.39 3min h THR 436 Ca -0.26 -1.27 -0.56 0.00 -0.55 0.00 0.00 66.41 63.77 3min h THR 436 Cb 1.39 1.83 -0.39 0.00 -1.73 0.00 0.00 68.15 69.25 3min h THR 436 CO -0.08 0.09 -1.09 -0.67 -0.25 0.00 0.00 175.52 173.53 3min n ASP 437 N -2.90 0.22 -4.67 5.36 2.03 -0.72 -5.07 116.55 110.79 3min n ASP 437 Ca 0.00 -2.69 -0.48 0.00 0.52 0.00 0.00 54.79 52.14 3min n ASP 437 Cb 0.60 -0.63 -0.05 0.00 -0.72 0.00 0.00 41.12 40.32 3min n ASP 437 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3min n LYS 438 N 1.49 2.17 -2.20 -0.67 4.81 -1.24 -4.52 118.16 118.01 3min n LYS 438 Ca 0.22 0.79 -0.24 0.00 -0.87 0.00 0.00 58.31 58.21 3min n LYS 438 Cb 0.52 -2.67 0.14 0.00 0.02 0.00 0.00 35.03 33.05 3min n LYS 438 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3min n PRO 439 N 6.79 -0.50 0.07 1.64 -0.04 -1.26 -5.04 135.00 136.65 3min n PRO 439 Ca 0.23 -2.32 -0.22 0.00 -0.04 0.00 0.00 63.50 61.15 3min n PRO 439 Cb 0.30 -0.87 -0.15 0.00 -0.04 0.00 0.00 33.50 32.74 3min n PRO 439 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3min h ASP 440 N -0.96 0.57 -5.16 3.54 3.32 -1.23 -3.46 116.42 113.04 3min h ASP 440 Ca -0.35 -0.89 -0.12 0.00 0.02 0.00 0.00 57.03 55.70 3min h ASP 440 Cb 1.13 -0.19 -0.16 0.00 0.22 0.00 0.00 39.33 40.34 3min h ASP 440 CO 0.32 1.75 -0.59 -0.36 -1.72 0.00 0.00 179.24 178.64 3min s PHE 441 N -2.58 0.34 -0.03 4.55 0.08 -1.01 -3.89 117.98 115.44 3min s PHE 441 Ca -0.16 -0.78 0.01 0.00 0.12 0.00 0.00 56.93 56.13 3min s PHE 441 Cb 0.06 -0.25 -0.03 0.00 -0.57 0.00 0.00 43.02 42.23 3min s PHE 441 CO 0.85 -0.38 -0.02 -1.64 -0.10 0.00 0.00 175.22 173.92 3min s MET 442 N -3.30 2.77 -0.22 0.44 -1.94 -0.19 -1.27 119.30 115.58 3min s MET 442 Ca 0.01 -0.59 -0.01 0.00 -1.71 0.00 0.00 55.69 53.39 3min s MET 442 Cb 0.03 -2.65 0.02 0.00 2.01 0.00 0.00 34.83 34.24 3min s MET 442 CO -0.08 0.64 -0.10 0.42 -0.01 0.00 0.00 175.02 175.90 3min s ILE 443 N -0.99 2.76 0.11 2.53 1.01 0.27 -0.22 121.20 126.68 3min s ILE 443 Ca 0.17 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 3min s ILE 443 Cb -0.11 -2.31 0.04 0.00 0.01 0.00 0.00 42.46 40.09 3min s ILE 443 CO 0.07 0.35 0.55 0.61 0.00 0.00 0.00 174.94 176.51 3min n GLY 444 N 4.68 0.98 3.92 6.18 0.00 -0.32 -2.92 105.19 117.72 3min n GLY 444 Ca -0.18 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 3min n GLY 444 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3min n ASN 445 N -1.01 1.08 0.28 1.61 0.23 -1.25 -0.98 115.26 115.22 3min n ASN 445 Ca -0.02 -2.00 0.19 0.00 -0.53 0.00 0.00 54.58 52.23 3min n ASN 445 Cb 0.32 -0.74 0.98 0.00 -2.08 0.00 0.00 39.78 38.26 3min n ASN 445 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3min h SER 446 N -0.87 0.00 0.44 0.53 0.02 -1.63 -1.79 113.55 110.25 3min h SER 446 Ca -0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 3min h SER 446 Cb 1.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 3min h SER 446 CO 0.35 0.00 -0.03 1.88 -1.14 0.00 0.00 176.83 177.89 3min h TYR 447 N 0.00 0.00 0.00 3.45 0.05 -1.94 -1.51 116.97 117.02 3min h TYR 447 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3min h TYR 447 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 3min h TYR 447 CO 0.00 0.03 0.00 0.78 -1.05 0.00 0.00 178.16 177.92 3min h GLY 448 N 0.91 0.00 2.00 3.88 0.00 -1.68 -2.89 103.07 105.28 3min h GLY 448 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3min h GLY 448 CO 0.00 0.00 -0.07 0.07 0.00 0.00 0.00 176.54 176.55 3min h LYS 449 N 0.00 0.00 0.00 4.80 2.10 -1.48 -1.08 116.57 120.91 3min h LYS 449 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 3min h LYS 449 Cb 0.17 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 3min h LYS 449 CO 0.00 0.07 -0.56 0.74 -2.00 0.00 0.00 179.45 177.70 3min h PHE 450 N 0.00 0.00 -0.12 0.07 0.04 -1.73 -1.52 116.94 113.67 3min h PHE 450 Ca -0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 3min h PHE 450 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 3min h PHE 450 CO 0.00 0.56 -0.38 0.82 -0.60 0.00 0.00 178.31 178.71 3min h ILE 451 N 0.00 1.37 -0.86 -0.55 2.04 -1.38 -2.04 117.51 116.08 3min h ILE 451 Ca -0.01 -1.69 0.05 0.00 1.00 0.00 0.00 64.86 64.21 3min h ILE 451 Cb 1.04 2.12 -0.06 0.00 -0.74 0.00 0.00 36.82 39.19 3min h ILE 451 CO 0.07 0.50 0.54 -0.61 0.00 0.00 0.00 178.15 178.66 3min h GLN 452 N 0.07 0.99 -0.67 2.37 4.15 -1.26 -0.37 115.11 120.40 3min h GLN 452 Ca -0.01 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 3min h GLN 452 Cb 1.01 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 3min h GLN 452 CO 0.08 0.66 0.26 -0.09 -1.93 0.00 0.00 178.83 177.80 3min h ARG 453 N 1.02 1.00 -0.21 1.69 1.12 -1.17 -0.72 114.38 117.11 3min h ARG 453 Ca 0.36 -0.19 -0.01 0.00 -1.11 0.00 0.00 59.98 59.03 3min h ARG 453 Cb 0.10 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 29.89 3min h ARG 453 CO -0.15 0.84 0.08 -0.44 -3.11 0.00 0.00 179.97 177.19 3min h ASP 454 N 0.95 0.28 -0.89 -3.80 3.32 -0.69 -1.55 116.42 114.04 3min h ASP 454 Ca 0.22 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3min h ASP 454 Cb 0.22 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 3min h ASP 454 CO -0.02 0.37 0.51 0.71 -1.72 0.00 0.00 179.24 179.10 3min h THR 455 N 0.18 1.25 -0.98 0.35 1.35 -0.86 -1.88 112.91 112.32 3min h THR 455 Ca 0.07 -0.59 0.01 0.00 -0.55 0.00 0.00 66.41 65.35 3min h THR 455 Cb 0.18 0.02 -0.05 0.00 -1.73 0.00 0.00 68.15 66.57 3min h THR 455 CO -0.01 0.28 0.65 0.25 -0.25 0.00 0.00 175.52 176.44 3min h LEU 456 N 1.24 1.13 -1.49 3.87 5.85 -0.96 -2.22 115.31 122.72 3min h LEU 456 Ca 0.32 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3min h LEU 456 Cb -0.01 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3min h LEU 456 CO -0.06 0.81 0.18 -0.74 -0.34 0.00 0.00 178.44 178.30 3min h HIS 457 N 1.33 0.51 0.00 1.25 2.76 -0.44 0.38 115.15 120.94 3min h HIS 457 Ca 0.36 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.48 3min h HIS 457 Cb -0.14 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.64 3min h HIS 457 CO -0.00 0.38 -0.23 -0.22 -1.30 0.00 0.00 177.93 176.57 3min h LYS 458 N 0.53 0.00 0.00 5.26 3.64 -1.19 -3.47 116.57 121.34 3min h LYS 458 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3min h LYS 458 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3min h LYS 458 CO -0.02 0.23 0.00 0.41 -2.27 0.00 0.00 179.45 177.80 3min n GLY 459 N -0.31 4.10 0.34 5.01 0.00 0.12 -4.91 105.19 109.56 3min n GLY 459 Ca -0.01 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.12 3min n GLY 459 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3min h LYS 460 N 0.00 0.94 0.00 1.61 1.63 -1.86 -0.05 116.57 118.84 3min h LYS 460 Ca 0.00 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3min h LYS 460 Cb 0.00 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.42 3min h LYS 460 CO 0.00 0.62 0.00 -0.85 -3.45 0.00 0.00 179.45 175.77 3min n GLU 461 N -4.63 0.85 0.00 1.90 -0.00 -1.26 -2.26 120.64 115.23 3min n GLU 461 Ca 0.16 0.00 0.06 0.00 -0.00 0.00 0.00 57.16 57.37 3min n GLU 461 Cb 0.27 -1.40 -0.01 0.00 -0.00 0.00 0.00 31.44 30.30 3min n GLU 461 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3min n PHE 462 N -0.90 0.00 -2.17 -1.84 3.72 -0.05 -5.00 117.46 111.22 3min n PHE 462 Ca 0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.14 3min n PHE 462 Cb 0.07 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 3min n PHE 462 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3min s GLU 463 N -1.55 4.33 -0.31 -1.08 2.12 -0.96 -4.65 118.70 116.60 3min s GLU 463 Ca 0.09 2.09 -0.06 0.00 0.36 0.00 0.00 54.97 57.45 3min s GLU 463 Cb 0.09 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.28 3min s GLU 463 CO 0.31 -0.40 0.08 0.08 -0.54 0.00 0.00 175.26 174.79 3min s VAL 464 N 0.82 3.78 0.42 3.70 1.01 -1.26 -4.96 120.40 123.91 3min s VAL 464 Ca 0.63 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 3min s VAL 464 Cb -0.37 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 3min s VAL 464 CO 0.33 -0.03 1.17 -2.84 0.00 0.00 0.00 175.10 173.73 3min s PRO 465 N 1.44 3.97 -0.01 2.72 0.02 -1.25 -4.46 135.00 137.43 3min s PRO 465 Ca 0.00 1.81 -0.17 0.00 0.02 0.00 0.00 61.00 62.67 3min s PRO 465 Cb -0.18 -2.59 -0.06 0.00 0.02 0.00 0.00 34.50 31.69 3min s PRO 465 CO 0.02 -0.39 0.46 -1.17 -0.33 0.00 0.00 177.00 175.60 3min s LEU 466 N -2.66 4.45 -0.26 -5.54 2.96 -1.26 -1.02 118.68 115.35 3min s LEU 466 Ca 0.59 1.01 -0.02 0.00 -0.22 0.00 0.00 54.13 55.49 3min s LEU 466 Cb -0.30 -2.69 0.03 0.00 0.50 0.00 0.00 46.19 43.73 3min s LEU 466 CO 0.37 0.24 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.97 3min s ILE 467 N -0.72 2.93 -0.71 6.68 1.01 0.69 -4.92 121.20 126.16 3min s ILE 467 Ca 0.25 -1.05 -0.27 0.00 0.00 0.00 0.00 60.65 59.59 3min s ILE 467 Cb -0.17 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.81 3min s ILE 467 CO 0.14 0.16 1.41 -0.13 0.00 0.00 0.00 174.94 176.52 3min s ARG 468 N 1.32 3.08 -0.04 2.79 0.52 -1.26 -1.18 118.95 124.19 3min s ARG 468 Ca -0.00 -0.03 -0.02 0.00 -0.52 0.00 0.00 55.73 55.16 3min s ARG 468 Cb -0.17 -4.22 0.03 0.00 0.52 0.00 0.00 34.95 31.11 3min s ARG 468 CO -0.04 -2.26 0.06 0.42 0.02 0.00 0.00 175.30 173.49 3min s ILE 469 N 6.46 -0.10 -5.00 1.52 1.01 -0.16 -4.91 121.20 120.01 3min s ILE 469 Ca 0.42 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.47 3min s ILE 469 Cb -0.09 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.24 3min s ILE 469 CO 0.17 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.88 3min n GLY 470 N 5.14 0.68 3.12 6.18 0.00 -1.26 -3.70 105.19 115.35 3min n GLY 470 Ca -0.07 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 3min n GLY 470 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3min s PHE 471 N -3.70 -0.32 0.23 1.61 5.36 -1.26 -4.40 117.98 115.51 3min s PHE 471 Ca 0.00 0.76 -0.16 0.00 -0.96 0.00 0.00 56.93 56.57 3min s PHE 471 Cb 0.00 0.09 -0.08 0.00 -0.34 0.00 0.00 43.02 42.69 3min s PHE 471 CO 0.00 -0.18 0.67 -1.25 -1.46 0.00 0.00 175.22 173.00 3min s PRO 472 N 0.56 4.08 -0.34 10.12 0.04 -1.26 -4.79 135.00 143.41 3min s PRO 472 Ca -0.03 0.67 -0.04 0.00 0.04 0.00 0.00 61.00 61.64 3min s PRO 472 Cb -0.05 -2.75 0.06 0.00 0.04 0.00 0.00 34.50 31.80 3min s PRO 472 CO -0.03 0.34 0.08 0.42 0.04 0.00 0.00 177.00 177.85 3min s ILE 473 N -1.66 3.33 -0.06 0.56 1.01 -1.26 -1.54 121.20 121.57 3min s ILE 473 Ca 0.45 -1.43 0.11 0.00 0.00 0.00 0.00 60.65 59.79 3min s ILE 473 Cb -0.14 -2.97 -0.16 0.00 0.01 0.00 0.00 42.46 39.19 3min s ILE 473 CO 0.20 -0.25 0.17 0.49 0.00 0.00 0.00 174.94 175.55 3min n PHE 474 N 4.69 0.00 -0.63 3.97 3.72 -1.26 -4.49 117.46 123.46 3min n PHE 474 Ca -0.11 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.39 3min n PHE 474 Cb 0.43 -0.39 0.36 0.00 -0.94 0.00 0.00 39.48 38.95 3min n PHE 474 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3min n ASP 475 N -2.13 4.78 -4.19 4.37 5.75 -1.26 -4.88 116.55 118.98 3min n ASP 475 Ca -0.09 -2.44 -0.11 0.00 -0.01 0.00 0.00 54.79 52.13 3min n ASP 475 Cb 0.55 -0.58 -0.10 0.00 -1.03 0.00 0.00 41.12 39.96 3min n ASP 475 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3min s ARG 476 N -1.84 0.95 -0.10 0.11 1.81 -1.26 -5.16 118.95 113.45 3min s ARG 476 Ca 0.51 -1.42 0.01 0.00 -1.72 0.00 0.00 55.73 53.11 3min s ARG 476 Cb 0.33 -0.15 -0.02 0.00 -0.45 0.00 0.00 34.95 34.66 3min s ARG 476 CO 0.25 -0.10 -0.13 -1.01 -0.68 0.00 0.00 175.30 173.62 3min s HIS 477 N -3.71 2.78 -0.46 -0.53 3.76 -1.26 -4.68 115.29 111.19 3min s HIS 477 Ca 0.18 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 3min s HIS 477 Cb 0.06 -1.77 0.00 0.00 1.11 0.00 0.00 32.58 31.98 3min s HIS 477 CO -0.01 -0.07 0.00 0.72 -0.85 0.00 0.00 174.74 174.54 3min n HIS 478 N 3.10 0.00 0.42 1.40 8.25 -1.26 -4.88 115.22 122.25 3min n HIS 478 Ca -0.18 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.41 3min n HIS 478 Cb 0.53 -1.26 0.48 0.00 1.12 0.00 0.00 29.99 30.86 3min n HIS 478 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3min h LEU 479 N 0.00 0.00 -1.25 2.41 3.38 -1.91 -1.97 115.31 115.97 3min h LEU 479 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3min h LEU 479 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3min h LEU 479 CO 0.13 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3min n HIS 480 N -2.46 0.67 0.67 1.13 1.44 -1.26 -1.73 115.22 113.67 3min n HIS 480 Ca 0.03 0.34 0.13 0.00 -2.01 0.00 0.00 57.72 56.21 3min n HIS 480 Cb 0.31 -1.05 0.41 0.00 0.12 0.00 0.00 29.99 29.79 3min n HIS 480 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3min n ARG 481 N -2.18 0.23 -0.67 -1.40 1.74 -0.74 -0.53 116.66 113.10 3min n ARG 481 Ca -0.01 0.18 -0.30 0.00 -0.77 0.00 0.00 57.85 56.95 3min n ARG 481 Cb 0.04 -1.76 0.26 0.00 -1.02 0.00 0.00 32.46 29.98 3min n ARG 481 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3min s SER 482 N -4.33 0.19 -0.03 0.55 0.01 -0.71 -3.32 113.70 106.06 3min s SER 482 Ca 0.11 0.95 0.04 0.00 1.31 0.00 0.00 55.95 58.36 3min s SER 482 Cb 0.13 -1.40 -0.00 0.00 0.21 0.00 0.00 66.02 64.96 3min s SER 482 CO 0.60 -4.61 -0.14 -0.89 0.41 0.00 0.00 173.24 168.61 3min s THR 483 N -2.57 1.16 -0.01 1.44 2.01 -1.26 -1.64 115.64 114.76 3min s THR 483 Ca 0.69 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.12 3min s THR 483 Cb -0.15 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 3min s THR 483 CO 0.59 0.34 0.01 0.35 -0.69 0.00 0.00 174.62 175.22 3min n THR 484 N 3.18 0.00 -3.73 -0.82 -2.24 -1.26 -4.39 114.28 105.02 3min n THR 484 Ca -0.18 -0.45 -0.25 0.00 -2.27 0.00 0.00 64.05 60.90 3min n THR 484 Cb 0.54 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 3min n THR 484 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3min s LEU 485 N -2.10 4.22 0.00 3.22 1.43 -1.26 -4.20 118.68 119.99 3min s LEU 485 Ca 0.00 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3min s LEU 485 Cb 0.00 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.13 3min s LEU 485 CO 0.01 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.11 3min n GLY 486 N -1.07 -1.71 0.23 -3.19 0.00 0.12 -0.94 105.19 98.63 3min n GLY 486 Ca -0.06 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 3min n GLY 486 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3min h TYR 487 N -0.01 0.75 -0.31 1.61 0.05 -1.90 -1.44 116.97 115.73 3min h TYR 487 Ca 0.00 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 3min h TYR 487 Cb 0.01 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 3min h TYR 487 CO 0.00 0.95 0.18 1.49 -1.05 0.00 0.00 178.16 179.73 3min h GLU 488 N 0.50 0.42 -0.27 4.88 4.81 -1.95 0.11 114.58 123.08 3min h GLU 488 Ca 0.04 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 3min h GLU 488 Cb 0.96 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 3min h GLU 488 CO 0.09 0.32 -0.23 0.78 -0.73 0.00 0.00 179.01 179.24 3min h GLY 489 N 0.39 0.55 0.96 1.92 0.00 -0.82 -1.48 103.07 104.60 3min h GLY 489 Ca 0.11 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3min h GLY 489 CO -0.02 0.40 0.05 0.00 0.00 0.00 0.00 176.54 176.97 3min h ALA 490 N 1.30 0.58 -0.51 3.60 0.00 -0.91 -1.04 119.26 122.29 3min h ALA 490 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3min h ALA 490 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3min h ALA 490 CO 0.05 0.32 0.30 0.52 0.00 0.00 0.00 179.25 180.44 3min h MET 491 N 0.59 0.69 -0.44 0.00 2.07 -0.40 -0.69 114.93 116.76 3min h MET 491 Ca 0.13 -0.07 -0.04 0.00 -2.07 0.00 0.00 59.70 57.65 3min h MET 491 Cb 0.42 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 29.99 3min h MET 491 CO 0.01 0.52 0.14 1.96 1.07 0.00 0.00 176.91 180.61 3min h GLN 492 N 0.68 0.68 -0.23 1.72 4.20 -1.16 -1.07 115.11 119.93 3min h GLN 492 Ca 0.18 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3min h GLN 492 Cb 0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3min h GLN 492 CO -0.03 0.66 0.03 0.82 -0.67 0.00 0.00 178.83 179.64 3min h ILE 493 N 0.57 1.23 -0.41 2.54 2.04 -0.94 -1.30 117.51 121.24 3min h ILE 493 Ca 0.14 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.28 3min h ILE 493 Cb 0.26 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 3min h ILE 493 CO -0.00 0.25 0.07 0.25 0.00 0.00 0.00 178.15 178.72 3min h LEU 494 N 0.18 -0.01 -0.48 1.44 5.85 -1.11 0.35 115.31 121.53 3min h LEU 494 Ca 0.07 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3min h LEU 494 Cb 0.34 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3min h LEU 494 CO 0.01 0.03 0.14 0.74 -0.34 0.00 0.00 178.44 179.02 3min h THR 495 N 0.20 1.23 -0.81 1.05 2.02 -0.90 -1.65 112.91 114.05 3min h THR 495 Ca 0.20 -0.78 0.03 0.00 0.77 0.00 0.00 66.41 66.62 3min h THR 495 Cb 0.25 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 3min h THR 495 CO -0.27 0.28 0.52 0.74 0.37 0.00 0.00 175.52 177.17 3min h THR 496 N 0.65 1.14 0.17 3.16 2.02 -0.57 -1.19 112.91 118.30 3min h THR 496 Ca 0.15 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3min h THR 496 Cb 0.29 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3min h THR 496 CO -0.00 0.19 -0.08 -0.07 0.37 0.00 0.00 175.52 175.92 3min h LEU 497 N 1.03 -0.20 -0.41 2.58 3.38 -0.67 -0.10 115.31 120.92 3min h LEU 497 Ca 0.32 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3min h LEU 497 Cb -0.02 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3min h LEU 497 CO -0.10 0.15 0.20 0.58 0.09 0.00 0.00 178.44 179.36 3min h VAL 498 N -0.57 0.97 0.00 1.22 2.07 -1.18 -1.53 116.25 117.23 3min h VAL 498 Ca -0.02 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 3min h VAL 498 Cb 0.43 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3min h VAL 498 CO 0.04 0.07 -0.55 0.78 0.02 0.00 0.00 177.57 177.93 3min h ASN 499 N 0.41 0.00 -0.33 0.57 -0.26 -1.23 -0.74 115.58 114.00 3min h ASN 499 Ca 0.18 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.80 3min h ASN 499 Cb 0.09 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3min h ASN 499 CO -0.13 0.55 -0.22 0.28 -1.06 0.00 0.00 177.43 176.86 3min h SER 500 N 0.00 0.83 0.31 5.81 0.02 -0.38 0.09 113.55 120.23 3min h SER 500 Ca -0.01 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 3min h SER 500 Cb 0.98 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 3min h SER 500 CO 0.07 1.02 -0.19 0.40 -1.14 0.00 0.00 176.83 176.99 3min h ILE 501 N 0.71 0.61 -0.07 3.27 2.04 -0.96 -1.62 117.51 121.48 3min h ILE 501 Ca 0.10 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 3min h ILE 501 Cb 0.74 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3min h ILE 501 CO 0.06 0.00 -0.31 -0.07 0.00 0.00 0.00 178.15 177.83 3min h LEU 502 N -0.48 0.13 -0.45 1.44 3.38 -1.02 -0.76 115.31 117.55 3min h LEU 502 Ca -0.03 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 3min h LEU 502 Cb 0.39 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3min h LEU 502 CO 0.04 0.44 -0.44 -0.08 0.09 0.00 0.00 178.44 178.49 3min h GLU 503 N 0.12 0.80 -0.48 1.13 4.57 -0.88 -1.07 114.58 118.77 3min h GLU 503 Ca 0.02 -0.44 -0.01 0.00 -1.18 0.00 0.00 59.36 57.74 3min h GLU 503 Cb 0.61 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 3min h GLU 503 CO 0.04 1.07 0.25 -0.09 -1.18 0.00 0.00 179.01 179.11 3min h ARG 504 N 0.64 0.68 -0.65 1.92 9.65 -0.87 -1.64 114.38 124.11 3min h ARG 504 Ca 0.04 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3min h ARG 504 Cb 1.02 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.44 3min h ARG 504 CO 0.10 0.56 0.39 1.25 2.80 0.00 0.00 179.97 185.07 3min h LEU 505 N 0.64 0.78 -1.09 3.80 6.46 -0.97 -1.91 115.31 123.01 3min h LEU 505 Ca 0.17 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.81 3min h LEU 505 Cb 0.09 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 3min h LEU 505 CO -0.02 0.60 -0.06 0.44 -0.62 0.00 0.00 178.44 178.78 3min h ASP 506 N 0.88 0.55 -0.08 1.25 3.32 -0.84 -1.01 116.42 120.49 3min h ASP 506 Ca 0.23 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 3min h ASP 506 Cb -0.03 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3min h ASP 506 CO -0.04 0.66 -0.45 1.05 -1.72 0.00 0.00 179.24 178.73 3min h GLU 507 N 0.54 0.63 0.00 3.56 4.11 -0.99 -2.50 114.58 119.93 3min h GLU 507 Ca 0.11 -0.35 -0.04 0.00 0.07 0.00 0.00 59.36 59.15 3min h GLU 507 Cb 0.43 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3min h GLU 507 CO 0.02 0.95 -0.21 0.93 0.07 0.00 0.00 179.01 180.77 3min h GLU 508 N 0.51 0.00 -0.49 1.06 5.08 -0.92 -2.97 114.58 116.84 3min h GLU 508 Ca 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3min h GLU 508 Cb 0.98 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.17 3min h GLU 508 CO 0.09 0.21 0.08 0.25 -1.00 0.00 0.00 179.01 178.64 3min n THR 509 N -3.45 2.63 0.17 1.13 -2.24 -0.42 -4.55 114.28 107.56 3min n THR 509 Ca -0.00 -1.82 0.06 0.00 -2.27 0.00 0.00 64.05 60.01 3min n THR 509 Cb 0.39 -0.30 0.23 0.00 -2.10 0.00 0.00 70.33 68.54 3min n THR 509 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3min n ARG 510 N -0.26 2.77 -2.94 -0.78 0.63 -0.96 -3.01 116.66 112.11 3min n ARG 510 Ca 0.31 -1.79 -0.43 0.00 -0.92 0.00 0.00 57.85 55.02 3min n ARG 510 Cb 1.14 -1.69 -0.05 0.00 0.45 0.00 0.00 32.46 32.31 3min n ARG 510 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3min s GLY 511 N -0.71 1.54 -0.24 5.14 0.00 -1.26 -4.88 107.32 106.91 3min s GLY 511 Ca 0.32 -1.35 -0.40 0.00 0.00 0.00 0.00 44.72 43.29 3min s GLY 511 CO 0.15 1.85 1.67 -0.13 0.00 0.00 0.00 173.10 176.64 3min n MET 512 N 7.00 1.07 -1.22 2.90 1.56 -1.26 -1.08 117.12 126.09 3min n MET 512 Ca -0.01 0.39 -0.10 0.00 -0.27 0.00 0.00 57.70 57.71 3min n MET 512 Cb 0.47 -2.06 -0.04 0.00 2.15 0.00 0.00 33.22 33.74 3min n MET 512 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 3min n GLN 513 N 4.84 -1.61 0.04 2.12 7.27 -1.26 -4.73 117.38 124.06 3min n GLN 513 Ca 0.25 0.76 0.00 0.00 0.07 0.00 0.00 57.00 58.09 3min n GLN 513 Cb 0.13 -4.99 0.00 0.00 2.41 0.00 0.00 30.24 27.79 3min n GLN 513 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3min n ALA 514 N 0.86 3.00 0.04 1.69 0.00 -0.38 -4.92 120.51 120.79 3min n ALA 514 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.34 3min n ALA 514 Cb 0.49 0.21 -0.01 0.00 0.00 0.00 0.00 19.45 20.14 3min n ALA 514 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3min n THR 515 N -3.36 0.00 0.88 0.00 -2.24 -0.24 -4.75 114.28 104.57 3min n THR 515 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3min n THR 515 Cb 0.00 0.75 0.02 0.00 -2.10 0.00 0.00 70.33 69.00 3min n THR 515 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3min n ASP 516 N -1.28 0.00 0.21 3.42 5.75 -0.42 -1.96 116.55 122.27 3min n ASP 516 Ca 0.00 -0.86 0.06 0.00 -0.01 0.00 0.00 54.79 53.98 3min n ASP 516 Cb 0.03 0.00 0.45 0.00 -1.03 0.00 0.00 41.12 40.57 3min n ASP 516 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 3min h TYR 517 N 0.00 0.00 -0.88 2.11 -0.00 -1.85 -3.01 116.97 113.34 3min h TYR 517 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 58.73 58.13 3min h TYR 517 Cb 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 36.73 36.40 3min h TYR 517 CO 0.00 0.30 0.26 -1.71 -0.00 0.00 0.00 178.16 177.01 3min n ASN 518 N -3.92 6.33 -3.75 0.10 5.15 -0.83 -4.77 115.26 113.56 3min n ASN 518 Ca -0.02 -3.77 -0.37 0.00 -0.60 0.00 0.00 54.58 49.83 3min n ASN 518 Cb 0.37 -0.75 -0.02 0.00 -0.53 0.00 0.00 39.78 38.85 3min n ASN 518 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3min n HIS 519 N -0.87 2.80 -2.31 1.20 -0.00 -1.14 -4.84 115.22 110.06 3min n HIS 519 Ca 0.55 -3.16 -0.39 0.00 0.46 0.00 0.00 57.72 55.18 3min n HIS 519 Cb 0.83 -0.98 -0.02 0.00 -0.12 0.00 0.00 29.99 29.69 3min n HIS 519 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3min s ASP 520 N -2.08 6.69 0.24 0.26 1.01 -1.26 -4.95 116.67 116.58 3min s ASP 520 Ca 0.35 2.37 -0.02 0.00 0.71 0.00 0.00 52.55 55.96 3min s ASP 520 Cb 0.10 -2.62 0.28 0.00 1.01 0.00 0.00 42.92 41.68 3min s ASP 520 CO 0.05 -0.56 1.68 0.25 0.21 0.00 0.00 175.17 176.80 3min h LEU 521 N 2.93 0.71 -8.61 1.23 5.85 -2.00 -3.43 115.31 111.99 3min h LEU 521 Ca -0.48 -0.23 -0.66 0.00 0.84 0.00 0.00 57.88 57.35 3min h LEU 521 Cb 1.23 -0.19 -0.27 0.00 0.37 0.00 0.00 40.66 41.80 3min h LEU 521 CO 0.64 0.89 -0.76 -0.69 -0.34 0.00 0.00 178.44 178.17 3min s VAL 522 N -4.68 3.07 0.00 1.05 1.01 -1.26 -5.29 120.40 114.30 3min s VAL 522 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3min s VAL 522 Cb 0.14 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3min s VAL 522 CO 0.82 0.52 0.04 0.54 0.00 0.00 0.00 175.10 177.02