#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2min s GLN 3 N 0.00 0.90 -0.26 1.43 -1.52 -1.26 -4.98 119.66 113.97 2min s GLN 3 Ca 0.00 -0.67 -0.12 0.00 -1.95 0.00 0.00 55.36 52.63 2min s GLN 3 Cb 0.00 -0.88 -0.05 0.00 -0.22 0.00 0.00 33.01 31.86 2min s GLN 3 CO 0.00 0.22 0.22 -0.65 -0.25 0.00 0.00 175.29 174.83 2min s GLN 4 N -0.95 4.01 0.58 2.91 -0.21 -1.26 -5.01 119.66 119.74 2min s GLN 4 Ca 0.02 -0.22 0.28 0.00 0.02 0.00 0.00 55.36 55.46 2min s GLN 4 Cb -0.07 -3.61 1.64 0.00 1.00 0.00 0.00 33.01 31.97 2min s GLN 4 CO 0.01 -0.11 2.12 -0.24 -2.12 0.00 0.00 175.29 174.94 2min h VAL 5 N 5.24 0.52 -0.00 1.09 3.04 -2.01 -1.11 116.25 123.01 2min h VAL 5 Ca -0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2min h VAL 5 Cb 1.18 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 2min h VAL 5 CO 0.61 0.00 -0.31 0.47 -1.01 0.00 0.00 177.57 177.33 2min n ASP 6 N -3.87 0.77 -3.24 3.17 8.00 -1.26 -4.40 116.55 115.72 2min n ASP 6 Ca 0.01 -0.62 -0.18 0.00 0.71 0.00 0.00 54.79 54.71 2min n ASP 6 Cb 0.30 0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 41.46 2min n ASP 6 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2min s LYS 7 N -2.66 0.84 0.11 -1.24 -2.85 -0.42 -5.12 119.74 108.39 2min s LYS 7 Ca 0.20 -1.39 -0.31 0.00 -1.00 0.00 0.00 55.97 53.48 2min s LYS 7 Cb 0.19 -0.84 -0.07 0.00 -2.06 0.00 0.00 37.83 35.05 2min s LYS 7 CO 0.57 -1.30 1.31 0.42 0.10 0.00 0.00 175.35 176.45 2min s ILE 8 N 0.78 3.56 -0.21 3.79 -1.09 -1.21 -4.21 121.20 122.60 2min s ILE 8 Ca 0.26 1.14 -0.10 0.00 -2.23 0.00 0.00 60.65 59.72 2min s ILE 8 Cb -0.05 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 2min s ILE 8 CO -0.09 0.10 0.13 -0.54 -1.23 0.00 0.00 174.94 173.31 2min s LYS 9 N 0.94 4.11 0.77 2.79 1.02 -1.26 -5.06 119.74 123.04 2min s LYS 9 Ca 0.61 -0.26 -0.13 0.00 0.02 0.00 0.00 55.97 56.21 2min s LYS 9 Cb -0.34 -3.44 0.18 0.00 -0.52 0.00 0.00 37.83 33.71 2min s LYS 9 CO 0.31 0.20 0.92 0.00 -0.92 0.00 0.00 175.35 175.85 2min n ALA 10 N 3.84 -1.54 -0.29 5.17 0.00 -1.26 -4.60 120.51 121.83 2min n ALA 10 Ca -0.16 -1.24 0.11 0.00 0.00 0.00 0.00 53.44 52.16 2min n ALA 10 Cb 0.52 -0.07 0.26 0.00 0.00 0.00 0.00 19.45 20.17 2min n ALA 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2min h SER 11 N -1.58 0.02 -3.59 0.00 4.64 -1.99 -1.36 113.55 109.69 2min h SER 11 Ca -0.31 0.18 -0.63 0.00 -0.47 0.00 0.00 61.79 60.56 2min h SER 11 Cb 0.88 0.25 -0.17 0.00 -0.31 0.00 0.00 62.40 63.04 2min h SER 11 CO 0.21 -0.12 -0.55 -0.47 -0.87 0.00 0.00 176.83 175.03 2min s TYR 12 N -5.96 3.22 -1.89 4.77 5.04 -1.26 -1.87 117.35 119.40 2min s TYR 12 Ca -0.12 0.01 0.18 0.00 -2.44 0.00 0.00 57.07 54.69 2min s TYR 12 Cb 0.25 -2.24 0.53 0.00 0.35 0.00 0.00 41.96 40.85 2min s TYR 12 CO 0.77 -0.06 1.44 -0.35 -1.34 0.00 0.00 175.55 176.00 2min n PRO 13 N 4.42 2.48 -0.26 4.97 -0.04 -1.14 -5.00 135.00 140.43 2min n PRO 13 Ca -0.15 -2.14 0.07 0.00 -0.04 0.00 0.00 63.50 61.24 2min n PRO 13 Cb 0.52 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.67 2min n PRO 13 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2min h LEU 14 N 3.41 -0.11 0.00 1.53 5.85 -0.64 -1.26 115.31 124.09 2min h LEU 14 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2min h LEU 14 Cb 0.85 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2min h LEU 14 CO 0.03 -0.11 0.00 0.49 -0.34 0.00 0.00 178.44 178.51 2min n PHE 15 N -5.23 0.00 0.69 1.25 3.72 -0.78 -1.70 117.46 115.41 2min n PHE 15 Ca 0.15 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.67 2min n PHE 15 Cb 0.51 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.13 2min n PHE 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2min n LEU 16 N -0.65 0.63 -4.74 4.37 4.77 -0.48 -4.06 117.00 116.85 2min n LEU 16 Ca 0.06 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 2min n LEU 16 Cb 0.03 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2min n LEU 16 CO 0.05 0.06 1.03 0.47 -1.33 0.00 0.00 177.39 177.67 2min n ASP 17 N -1.85 3.32 -0.21 -1.43 8.00 -0.69 -4.69 116.55 119.00 2min n ASP 17 Ca 0.03 1.22 0.01 0.00 0.71 0.00 0.00 54.79 56.76 2min n ASP 17 Cb 0.41 -1.56 0.09 0.00 -0.02 0.00 0.00 41.12 40.04 2min n ASP 17 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2min h GLN 18 N 2.82 0.07 -0.40 -1.24 5.75 -1.91 0.12 115.11 120.32 2min h GLN 18 Ca -0.48 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.01 2min h GLN 18 Cb 1.26 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.78 2min h GLN 18 CO 0.64 0.05 0.23 0.38 -2.65 0.00 0.00 178.83 177.47 2min h ASP 19 N 0.07 0.47 0.04 -0.69 2.03 -1.96 0.93 116.42 117.32 2min h ASP 19 Ca 0.33 -0.02 -0.28 0.00 -0.73 0.00 0.00 57.03 56.32 2min h ASP 19 Cb 0.53 -0.12 0.02 0.00 -0.83 0.00 0.00 39.33 38.93 2min h ASP 19 CO -0.59 0.38 -1.11 1.88 -1.03 0.00 0.00 179.24 178.77 2min h TYR 20 N 0.55 1.04 -0.45 4.15 0.05 -1.14 -1.67 116.97 119.50 2min h TYR 20 Ca 0.14 -0.59 0.02 0.00 0.05 0.00 0.00 58.73 58.36 2min h TYR 20 Cb -0.00 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 2min h TYR 20 CO 0.00 1.43 0.26 -0.22 -1.05 0.00 0.00 178.16 178.58 2min h LYS 21 N 0.36 0.51 -0.15 4.88 3.64 -0.56 0.14 116.57 125.39 2min h LYS 21 Ca -0.15 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 2min h LYS 21 Cb 1.77 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.46 2min h LYS 21 CO 0.22 0.34 0.07 -0.44 -2.27 0.00 0.00 179.45 177.36 2min h ASP 22 N 0.52 0.20 -0.88 4.20 3.32 -0.88 -0.09 116.42 122.81 2min h ASP 22 Ca 0.18 -0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.14 2min h ASP 22 Cb 0.03 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 2min h ASP 22 CO -0.09 0.28 0.58 -0.03 -1.72 0.00 0.00 179.24 178.26 2min h MET 23 N 0.10 1.03 0.01 3.56 4.05 -0.86 -1.23 114.93 121.60 2min h MET 23 Ca 0.05 -0.06 -0.20 0.00 -0.28 0.00 0.00 59.70 59.21 2min h MET 23 Cb 0.14 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 2min h MET 23 CO -0.01 0.68 -0.91 -0.07 0.23 0.00 0.00 176.91 176.83 2min h LEU 24 N 1.06 0.14 -1.12 3.39 3.38 -0.34 -1.77 115.31 120.05 2min h LEU 24 Ca 0.36 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 2min h LEU 24 Cb 0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2min h LEU 24 CO -0.12 0.97 -0.04 0.00 0.09 0.00 0.00 178.44 179.35 2min h ALA 25 N 1.01 1.27 0.02 1.53 0.00 -0.55 -2.03 119.26 120.51 2min h ALA 25 Ca -0.03 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 2min h ALA 25 Cb 1.58 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2min h ALA 25 CO 0.13 0.49 -0.99 -0.22 0.00 0.00 0.00 179.25 178.65 2min h LYS 26 N 0.54 0.38 -0.16 0.00 3.64 -1.10 -1.81 116.57 118.06 2min h LYS 26 Ca 0.11 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 2min h LYS 26 Cb 0.41 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2min h LYS 26 CO 0.02 1.12 0.05 -0.22 -2.27 0.00 0.00 179.45 178.15 2min h LYS 27 N 0.20 0.25 0.57 1.90 3.64 -1.02 -1.37 116.57 120.74 2min h LYS 27 Ca -0.09 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2min h LYS 27 Cb 1.64 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.41 2min h LYS 27 CO 0.17 0.36 -0.48 -0.09 -2.27 0.00 0.00 179.45 177.14 2min h ARG 28 N 0.09 -0.99 -0.89 1.90 2.43 -1.37 -1.67 114.38 113.88 2min h ARG 28 Ca 0.05 0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2min h ARG 28 Cb 0.22 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 2min h ARG 28 CO -0.00 -0.66 0.47 -0.44 -1.51 0.00 0.00 179.97 177.83 2min h ASP 29 N -1.03 1.12 0.18 -3.80 3.32 -1.33 -0.92 116.42 113.96 2min h ASP 29 Ca -0.07 -0.11 -0.31 0.00 0.02 0.00 0.00 57.03 56.57 2min h ASP 29 Cb 0.87 -0.29 0.03 0.00 0.22 0.00 0.00 39.33 40.17 2min h ASP 29 CO -0.01 0.91 -1.29 1.23 -1.72 0.00 0.00 179.24 178.36 2min h GLY 30 N 1.25 0.67 0.00 2.75 0.00 -1.24 -3.44 103.07 103.06 2min h GLY 30 Ca 0.31 -1.46 0.00 0.00 0.00 0.00 0.00 47.33 46.18 2min h GLY 30 CO -0.05 1.29 -0.54 0.69 0.00 0.00 0.00 176.54 177.93 2min n PHE 31 N -3.76 0.00 0.29 5.60 3.72 -0.63 -4.80 117.46 117.88 2min n PHE 31 Ca -0.14 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.39 2min n PHE 31 Cb 1.01 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 39.80 2min n PHE 31 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2min h GLU 32 N 0.00 0.00 -6.62 -1.08 5.08 -1.11 -3.47 114.58 107.38 2min h GLU 32 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2min h GLU 32 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 2min h GLU 32 CO 0.00 0.00 -0.89 0.39 -1.00 0.00 0.00 179.01 177.51 2min n GLU 33 N -2.95 -2.95 -2.50 2.33 1.02 -1.25 -4.88 120.64 109.46 2min n GLU 33 Ca 0.04 0.36 -0.36 0.00 -0.02 0.00 0.00 57.16 57.17 2min n GLU 33 Cb 0.49 -4.50 -0.03 0.00 -0.02 0.00 0.00 31.44 27.38 2min n GLU 33 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2min s LYS 34 N -6.74 4.04 0.50 3.49 2.20 -1.26 -4.99 119.74 116.97 2min s LYS 34 Ca 0.14 1.53 -0.23 0.00 -0.36 0.00 0.00 55.97 57.04 2min s LYS 34 Cb -0.08 -2.44 -0.07 0.00 -1.51 0.00 0.00 37.83 33.73 2min s LYS 34 CO 0.91 -0.26 1.35 0.66 -0.36 0.00 0.00 175.35 177.65 2min n TYR 35 N -0.29 2.33 -1.83 4.03 4.01 -1.26 -4.94 117.16 119.20 2min n TYR 35 Ca 0.06 0.45 -0.40 0.00 -0.16 0.00 0.00 57.90 57.85 2min n TYR 35 Cb 0.50 -2.39 0.02 0.00 -0.31 0.00 0.00 39.34 37.16 2min n TYR 35 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2min s PRO 36 N -2.61 3.68 0.32 -0.72 0.04 -1.26 -4.82 135.00 129.63 2min s PRO 36 Ca 0.66 2.37 0.07 0.00 0.04 0.00 0.00 61.00 64.15 2min s PRO 36 Cb -0.44 -2.64 0.77 0.00 0.04 0.00 0.00 34.50 32.22 2min s PRO 36 CO 0.53 -0.81 1.81 0.37 0.04 0.00 0.00 177.00 178.94 2min h GLN 37 N 2.30 0.73 -0.56 4.56 5.75 -1.99 0.17 115.11 126.07 2min h GLN 37 Ca -0.51 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 57.94 2min h GLN 37 Cb 1.27 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 2min h GLN 37 CO 0.61 0.48 0.32 0.38 -2.65 0.00 0.00 178.83 177.97 2min h ASP 38 N 0.75 0.68 -0.17 -0.69 2.03 -1.99 0.82 116.42 117.84 2min h ASP 38 Ca 0.54 -0.04 -0.13 0.00 -0.73 0.00 0.00 57.03 56.67 2min h ASP 38 Cb 0.86 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 2min h ASP 38 CO -0.31 0.54 -0.39 0.50 -1.03 0.00 0.00 179.24 178.54 2min h LYS 39 N 0.78 0.57 -0.84 4.15 1.63 -1.06 -2.21 116.57 119.59 2min h LYS 39 Ca 0.20 -0.39 0.06 0.00 -0.85 0.00 0.00 60.65 59.68 2min h LYS 39 Cb 0.00 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.63 2min h LYS 39 CO -0.04 1.00 0.52 0.82 -3.45 0.00 0.00 179.45 178.31 2min h ILE 40 N 0.23 1.04 -0.51 2.00 2.04 -0.63 -0.68 117.51 121.01 2min h ILE 40 Ca -0.00 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 2min h ILE 40 Cb 1.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2min h ILE 40 CO 0.09 0.17 -0.13 0.44 0.00 0.00 0.00 178.15 178.72 2min h ASP 41 N 0.96 1.00 -0.25 1.72 3.32 -0.84 -0.80 116.42 121.52 2min h ASP 41 Ca 0.37 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 57.08 2min h ASP 41 Cb 0.16 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2min h ASP 41 CO -0.17 1.13 0.10 -0.08 -1.72 0.00 0.00 179.24 178.50 2min h GLU 42 N 0.85 0.22 -0.33 3.56 4.81 -0.67 -0.70 114.58 122.32 2min h GLU 42 Ca 0.13 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 2min h GLU 42 Cb 0.70 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2min h GLU 42 CO 0.05 0.15 -0.30 0.28 -0.73 0.00 0.00 179.01 178.46 2min h VAL 43 N 0.23 1.28 -0.24 0.32 2.07 -1.02 -1.09 116.25 117.80 2min h VAL 43 Ca 0.11 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.22 2min h VAL 43 Cb 0.06 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2min h VAL 43 CO -0.10 0.47 0.08 0.15 0.02 0.00 0.00 177.57 178.19 2min h PHE 44 N 0.60 0.14 -0.72 1.57 3.57 -0.73 -0.63 116.94 120.74 2min h PHE 44 Ca 0.07 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2min h PHE 44 Cb 0.81 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 2min h PHE 44 CO 0.04 0.07 0.25 0.37 -2.23 0.00 0.00 178.31 176.80 2min h GLN 45 N 0.19 1.11 -0.94 1.11 5.75 -0.90 -2.31 115.11 119.12 2min h GLN 45 Ca 0.10 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.42 2min h GLN 45 Cb 0.07 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.40 2min h GLN 45 CO -0.11 0.94 0.60 2.35 -2.65 0.00 0.00 178.83 179.96 2min h TRP 46 N 1.06 1.13 0.00 3.99 7.01 -0.58 -1.87 115.95 126.68 2min h TRP 46 Ca 0.24 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.26 2min h TRP 46 Cb 0.28 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 2min h TRP 46 CO 0.02 0.63 0.00 0.25 -2.79 0.00 0.00 178.44 176.55 2min n THR 47 N -4.51 1.13 0.76 2.65 -2.24 -0.30 -2.11 114.28 109.65 2min n THR 47 Ca 0.13 0.28 0.11 0.00 -2.27 0.00 0.00 64.05 62.30 2min n THR 47 Cb 0.12 -1.08 0.08 0.00 -2.10 0.00 0.00 70.33 67.34 2min n THR 47 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2min n THR 48 N -1.47 0.11 -1.87 4.28 -2.24 -0.71 -4.80 114.28 107.58 2min n THR 48 Ca 0.03 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.37 2min n THR 48 Cb 0.13 0.32 0.04 0.00 -2.10 0.00 0.00 70.33 68.72 2min n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2min s THR 49 N -3.11 3.79 0.18 4.28 -4.23 -0.90 -4.34 115.64 111.31 2min s THR 49 Ca 0.07 0.58 0.25 0.00 -1.18 0.00 0.00 61.69 61.41 2min s THR 49 Cb 0.15 -3.57 0.25 0.00 1.34 0.00 0.00 72.50 70.68 2min s THR 49 CO 0.78 -0.76 1.87 0.07 -0.54 0.00 0.00 174.62 176.04 2min h LYS 50 N -0.58 0.00 -0.17 3.99 2.10 -1.94 -1.48 116.57 118.49 2min h LYS 50 Ca -0.45 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.18 2min h LYS 50 Cb 1.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 2min h LYS 50 CO 0.63 0.20 0.03 0.93 -2.00 0.00 0.00 179.45 179.24 2min h GLU 51 N 0.00 0.29 -0.69 0.07 4.39 -1.93 -0.81 114.58 115.89 2min h GLU 51 Ca -0.00 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.64 2min h GLU 51 Cb 0.67 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 2min h GLU 51 CO 0.03 0.46 0.45 -0.92 -1.16 0.00 0.00 179.01 177.87 2min h TYR 52 N 0.07 0.85 -0.95 4.33 3.20 -1.64 -2.52 116.97 120.31 2min h TYR 52 Ca 0.05 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.99 2min h TYR 52 Cb 0.31 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 2min h TYR 52 CO 0.02 0.51 0.62 0.37 -1.64 0.00 0.00 178.16 178.04 2min h GLN 53 N 0.90 1.14 -0.74 1.82 4.15 -0.73 -0.54 115.11 121.11 2min h GLN 53 Ca 0.27 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 2min h GLN 53 Cb -0.05 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.35 2min h GLN 53 CO -0.08 0.76 0.30 0.93 -1.93 0.00 0.00 178.83 178.81 2min h GLU 54 N 1.18 1.10 -0.20 1.69 5.08 -0.72 -0.05 114.58 122.66 2min h GLU 54 Ca 0.39 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 2min h GLU 54 Cb 0.04 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2min h GLU 54 CO -0.13 0.90 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.25 2min h LEU 55 N 1.06 0.53 -0.20 1.33 3.38 -1.30 -2.43 115.31 117.68 2min h LEU 55 Ca 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2min h LEU 55 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2min h LEU 55 CO -0.02 0.91 0.09 -1.13 0.09 0.00 0.00 178.44 178.38 2min h ASN 56 N 0.40 0.26 0.58 -0.43 -1.24 -0.67 -2.10 115.58 112.37 2min h ASN 56 Ca 0.03 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.91 2min h ASN 56 Cb 0.95 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.93 2min h ASN 56 CO 0.08 0.32 0.00 0.49 -1.29 0.00 0.00 177.43 177.03 2min n PHE 57 N -4.86 0.00 1.26 0.67 3.01 -0.07 -2.16 117.46 115.31 2min n PHE 57 Ca -0.04 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.56 2min n PHE 57 Cb 0.10 -0.50 0.59 0.00 -0.01 0.00 0.00 39.48 39.67 2min n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2min n GLN 58 N -1.50 0.39 -1.76 -1.08 6.02 -0.79 -4.90 117.38 113.76 2min n GLN 58 Ca 0.04 -0.11 -0.41 0.00 -0.01 0.00 0.00 57.00 56.51 2min n GLN 58 Cb 0.20 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.96 2min n GLN 58 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2min n ARG 59 N -1.21 2.60 0.00 -1.09 1.74 -0.92 -4.90 116.66 112.88 2min n ARG 59 Ca 0.12 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 2min n ARG 59 Cb 0.29 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.10 2min n ARG 59 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2min n GLU 60 N 0.71 2.49 -0.07 5.56 0.28 -1.26 -4.92 120.64 123.43 2min n GLU 60 Ca 0.03 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.87 2min n GLU 60 Cb 0.38 -0.81 -0.14 0.00 1.43 0.00 0.00 31.44 32.30 2min n GLU 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2min n ALA 61 N -1.41 1.31 -2.60 -1.84 0.00 -1.26 -4.94 120.51 109.77 2min n ALA 61 Ca 0.00 -0.98 -0.38 0.00 0.00 0.00 0.00 53.44 52.08 2min n ALA 61 Cb 0.30 -0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 2min n ALA 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2min s LEU 62 N -6.40 4.36 -0.08 0.00 2.96 -1.26 -5.08 118.68 113.18 2min s LEU 62 Ca -0.23 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 2min s LEU 62 Cb 0.08 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 2min s LEU 62 CO 0.72 0.11 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.88 2min s THR 63 N -0.03 3.51 -0.10 3.68 2.01 -1.26 -4.95 115.64 118.51 2min s THR 63 Ca 0.26 -0.54 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 2min s THR 63 Cb -0.16 -2.44 0.04 0.00 0.01 0.00 0.00 72.50 69.94 2min s THR 63 CO 0.13 0.58 0.02 -0.69 -0.69 0.00 0.00 174.62 173.96 2min s VAL 64 N -0.54 0.33 -0.76 3.82 1.01 -1.26 -4.89 120.40 118.11 2min s VAL 64 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 2min s VAL 64 Cb -0.12 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.67 2min s VAL 64 CO 0.02 0.13 0.70 0.59 0.00 0.00 0.00 175.10 176.54 2min n ASN 65 N 5.15 -7.53 -4.73 3.32 3.02 -1.26 -2.62 115.26 110.61 2min n ASN 65 Ca -0.07 -0.17 -0.36 0.00 -0.03 0.00 0.00 54.58 53.95 2min n ASN 65 Cb 0.49 -5.04 0.08 0.00 -0.61 0.00 0.00 39.78 34.70 2min n ASN 65 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2min s PRO 66 N -3.22 2.39 -0.65 3.52 0.04 -1.26 -1.00 135.00 134.82 2min s PRO 66 Ca 0.02 1.91 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2min s PRO 66 Cb -0.00 -1.85 0.36 0.00 0.04 0.00 0.00 34.50 33.05 2min s PRO 66 CO 0.76 -1.68 1.26 0.00 0.04 0.00 0.00 177.00 177.38 2min n ALA 67 N -2.25 5.22 -3.61 8.56 0.00 -1.26 -4.79 120.51 122.38 2min n ALA 67 Ca 0.15 -4.53 -0.05 0.00 0.00 0.00 0.00 53.44 49.00 2min n ALA 67 Cb 0.49 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 2min n ALA 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2min s LYS 68 N -3.71 0.84 0.18 0.00 -2.85 -1.26 -4.41 119.74 108.53 2min s LYS 68 Ca 0.47 -0.39 0.01 0.00 -1.00 0.00 0.00 55.97 55.07 2min s LYS 68 Cb 0.31 0.33 -0.01 0.00 -2.06 0.00 0.00 37.83 36.41 2min s LYS 68 CO -0.18 -0.37 0.05 0.00 0.10 0.00 0.00 175.35 174.95 2min n ALA 69 N -0.33 0.23 -2.91 0.59 0.00 -1.26 -5.03 120.51 111.81 2min n ALA 69 Ca -0.07 -0.88 -0.24 0.00 0.00 0.00 0.00 53.44 52.25 2min n ALA 69 Cb 0.61 0.58 -0.03 0.00 0.00 0.00 0.00 19.45 20.60 2min n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2min n GLN 71 N -0.82 -0.32 0.15 0.00 6.02 -1.24 -1.61 117.38 119.56 2min n GLN 71 Ca -0.08 1.40 0.17 0.00 -0.01 0.00 0.00 57.00 58.48 2min n GLN 71 Cb 0.55 -2.07 0.77 0.00 1.02 0.00 0.00 30.24 30.52 2min n GLN 71 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2min h PRO 72 N 0.00 0.00 -0.51 -1.09 0.13 -1.80 -1.02 132.00 127.71 2min h PRO 72 Ca 0.23 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.42 2min h PRO 72 Cb 0.46 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.53 2min h PRO 72 CO -0.89 0.00 0.19 1.25 -0.23 0.00 0.00 178.00 178.32 2min h LEU 73 N 0.00 0.20 -0.50 1.56 5.85 -1.63 -1.62 115.31 119.18 2min h LEU 73 Ca 0.13 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2min h LEU 73 Cb 0.63 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2min h LEU 73 CO -0.00 0.14 0.28 1.23 -0.34 0.00 0.00 178.44 179.75 2min h GLY 74 N 0.37 0.74 1.39 3.75 0.00 -1.20 -2.72 103.07 105.40 2min h GLY 74 Ca 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2min h GLY 74 CO -0.25 0.32 0.28 0.00 0.00 0.00 0.00 176.54 176.89 2min h ALA 75 N 1.12 1.42 -0.19 3.60 0.00 -1.16 -1.03 119.26 123.02 2min h ALA 75 Ca 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2min h ALA 75 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2min h ALA 75 CO -0.03 0.46 0.01 0.28 0.00 0.00 0.00 179.25 179.98 2min h VAL 76 N 0.80 1.24 -0.65 0.00 2.07 -1.06 -0.25 116.25 118.41 2min h VAL 76 Ca 0.20 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2min h VAL 76 Cb 0.07 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2min h VAL 76 CO -0.03 0.24 0.21 0.25 0.02 0.00 0.00 177.57 178.27 2min h LEU 77 N 0.09 0.92 0.30 2.57 5.85 -1.17 -0.02 115.31 123.86 2min h LEU 77 Ca 0.06 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2min h LEU 77 Cb 0.35 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2min h LEU 77 CO 0.01 0.85 -0.14 0.00 -0.34 0.00 0.00 178.44 178.82 2min h ALA 79 N 0.29 1.07 0.00 0.00 0.00 -0.65 -1.43 119.26 118.55 2min h ALA 79 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2min h ALA 79 Cb 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2min h ALA 79 CO 0.07 0.14 0.14 -0.07 0.00 0.00 0.00 179.25 179.53 2min h LEU 80 N 0.81 0.00 0.00 0.00 3.38 -0.91 -2.04 115.31 116.56 2min h LEU 80 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2min h LEU 80 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2min h LEU 80 CO -0.20 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.94 2min n GLY 81 N -1.21 -0.99 3.66 0.83 0.00 -0.54 -4.49 105.19 102.46 2min n GLY 81 Ca -0.02 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2min n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2min s PHE 82 N -2.00 3.00 0.04 1.61 0.40 -0.77 -0.52 117.98 119.74 2min s PHE 82 Ca 0.45 0.01 -0.33 0.00 -0.60 0.00 0.00 56.93 56.46 2min s PHE 82 Cb 0.21 -1.60 -0.12 0.00 0.51 0.00 0.00 43.02 42.02 2min s PHE 82 CO 0.35 0.45 1.80 -1.91 0.70 0.00 0.00 175.22 176.61 2min n GLU 83 N 1.10 2.38 -4.25 0.44 2.13 0.05 -2.30 120.64 120.19 2min n GLU 83 Ca -0.13 0.87 -0.35 0.00 0.66 0.00 0.00 57.16 58.21 2min n GLU 83 Cb 0.52 -2.72 -0.04 0.00 0.27 0.00 0.00 31.44 29.47 2min n GLU 83 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2min n LYS 84 N 5.60 -2.45 -3.80 5.31 5.02 -1.26 -4.60 118.16 121.98 2min n LYS 84 Ca 0.20 0.30 -0.37 0.00 -2.02 0.00 0.00 58.31 56.42 2min n LYS 84 Cb 0.32 -4.72 -0.06 0.00 -0.02 0.00 0.00 35.03 30.54 2min n LYS 84 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2min s THR 85 N -3.55 5.43 -0.35 -0.18 2.01 -0.97 -0.16 115.64 117.87 2min s THR 85 Ca 0.52 0.29 -0.12 0.00 0.31 0.00 0.00 61.69 62.70 2min s THR 85 Cb -0.29 -3.45 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 2min s THR 85 CO 0.95 0.58 0.23 -0.32 -0.69 0.00 0.00 174.62 175.37 2min s MET 86 N -0.79 3.27 0.19 4.92 1.75 -0.21 -4.80 119.30 123.63 2min s MET 86 Ca 0.15 -0.79 -0.32 0.00 -1.25 0.00 0.00 55.69 53.48 2min s MET 86 Cb -0.12 -3.77 -0.12 0.00 2.84 0.00 0.00 34.83 33.65 2min s MET 86 CO 0.04 -0.53 1.71 -0.35 -0.65 0.00 0.00 175.02 175.24 2min n PRO 87 N 5.07 2.67 -3.81 4.11 -0.04 -1.26 -1.26 135.00 140.48 2min n PRO 87 Ca -0.12 0.96 -0.24 0.00 -0.04 0.00 0.00 63.50 64.05 2min n PRO 87 Cb 0.49 -2.80 -0.17 0.00 -0.04 0.00 0.00 33.50 30.97 2min n PRO 87 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2min s TYR 88 N 1.24 0.97 -0.31 0.54 6.14 -0.35 -1.26 117.35 124.32 2min s TYR 88 Ca 0.76 -0.40 -0.07 0.00 0.64 0.00 0.00 57.07 58.00 2min s TYR 88 Cb -0.53 -0.96 0.02 0.00 0.42 0.00 0.00 41.96 40.90 2min s TYR 88 CO 0.34 -0.41 0.09 0.08 0.64 0.00 0.00 175.55 176.29 2min s VAL 89 N 1.88 3.93 -0.17 3.14 1.01 -0.40 -0.94 120.40 128.85 2min s VAL 89 Ca 0.05 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 2min s VAL 89 Cb -0.13 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 2min s VAL 89 CO -0.06 0.01 1.22 -2.28 0.00 0.00 0.00 175.10 173.98 2min s HIS 90 N 1.48 2.96 -3.73 5.22 2.46 0.59 -3.61 115.29 120.65 2min s HIS 90 Ca 0.02 1.11 0.00 0.00 0.47 0.00 0.00 55.06 56.65 2min s HIS 90 Cb -0.18 -3.45 0.00 0.00 -0.13 0.00 0.00 32.58 28.82 2min s HIS 90 CO 0.03 -1.45 0.00 0.41 -2.47 0.00 0.00 174.74 171.26 2min n GLY 91 N 3.54 0.07 3.84 1.59 0.00 -1.26 -1.30 105.19 111.67 2min n GLY 91 Ca 0.13 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 2min n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2min s SER 92 N -4.00 6.86 0.52 1.61 1.04 -1.26 -1.32 113.70 117.15 2min s SER 92 Ca 0.00 1.20 0.29 0.00 0.48 0.00 0.00 55.95 57.92 2min s SER 92 Cb 0.00 -2.34 1.37 0.00 0.10 0.00 0.00 66.02 65.16 2min s SER 92 CO 0.00 0.01 2.02 0.06 0.98 0.00 0.00 173.24 176.30 2min h GLN 93 N 3.17 0.00 -0.57 4.02 3.07 -1.90 -3.21 115.11 119.69 2min h GLN 93 Ca -0.48 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.24 2min h GLN 93 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.72 2min h GLN 93 CO 0.66 0.12 0.28 0.78 0.09 0.00 0.00 178.83 180.77 2min h GLY 94 N 1.29 0.85 0.87 0.06 0.00 -1.97 -1.97 103.07 102.20 2min h GLY 94 Ca -0.00 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 46.96 2min h GLY 94 CO 0.02 0.37 0.08 0.00 0.00 0.00 0.00 176.54 177.01 2min h VAL 96 N 0.18 1.18 -0.89 0.00 2.07 -1.55 -0.57 116.25 116.68 2min h VAL 96 Ca 0.09 -0.54 0.11 0.00 0.82 0.00 0.00 66.70 67.17 2min h VAL 96 Cb 0.04 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 2min h VAL 96 CO -0.08 0.20 0.52 0.00 0.02 0.00 0.00 177.57 178.24 2min h ALA 97 N 1.02 1.31 -0.39 1.67 0.00 -1.32 -0.40 119.26 121.14 2min h ALA 97 Ca 0.13 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2min h ALA 97 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2min h ALA 97 CO -0.01 0.12 -0.05 1.88 0.00 0.00 0.00 179.25 181.18 2min h TYR 98 N 0.84 0.80 -0.67 0.00 0.05 -0.88 -1.74 116.97 115.37 2min h TYR 98 Ca 0.44 -0.16 -0.06 0.00 0.05 0.00 0.00 58.73 59.00 2min h TYR 98 Cb 0.44 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 2min h TYR 98 CO -0.04 0.84 0.20 0.74 -1.05 0.00 0.00 178.16 178.84 2min h PHE 99 N 0.54 1.10 -0.26 4.88 0.04 -0.22 -1.32 116.94 121.70 2min h PHE 99 Ca 0.10 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 2min h PHE 99 Cb 0.56 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2min h PHE 99 CO 0.05 0.89 -0.03 0.00 -0.60 0.00 0.00 178.31 178.61 2min h ARG 100 N 0.99 0.48 -0.49 1.51 3.08 -1.08 -2.61 114.38 116.26 2min h ARG 100 Ca 0.22 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2min h ARG 100 Cb 0.31 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2min h ARG 100 CO -0.00 0.67 0.03 0.77 -1.07 0.00 0.00 179.97 180.37 2min h SER 101 N 0.24 0.75 0.18 7.04 0.02 -1.15 0.79 113.55 121.42 2min h SER 101 Ca 0.07 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2min h SER 101 Cb 0.47 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2min h SER 101 CO 0.02 0.80 -0.09 0.22 -1.14 0.00 0.00 176.83 176.64 2min h TYR 102 N 0.74 -0.22 -0.31 3.45 3.20 -1.17 -0.54 116.97 122.11 2min h TYR 102 Ca 0.15 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.87 2min h TYR 102 Cb 0.40 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2min h TYR 102 CO 0.02 -0.04 -0.38 0.74 -1.64 0.00 0.00 178.16 176.86 2min h PHE 103 N -0.37 0.88 -0.59 -3.82 0.04 -1.39 -2.72 116.94 108.96 2min h PHE 103 Ca -0.02 -0.25 0.11 0.00 2.80 0.00 0.00 57.97 60.60 2min h PHE 103 Cb 0.29 -0.19 -0.08 0.00 2.20 0.00 0.00 35.95 38.17 2min h PHE 103 CO -0.03 1.00 0.13 -0.91 -0.60 0.00 0.00 178.31 177.91 2min h ASN 104 N 0.61 0.02 -0.57 2.17 2.35 -0.60 0.43 115.58 119.99 2min h ASN 104 Ca 0.05 0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 2min h ASN 104 Cb 0.93 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 2min h ASN 104 CO 0.08 0.02 -0.04 0.03 -1.65 0.00 0.00 177.43 175.87 2min h ARG 105 N 0.27 1.03 -0.03 0.81 -0.00 -1.03 0.29 114.38 115.71 2min h ARG 105 Ca 0.31 -0.35 -0.24 0.00 -0.50 0.00 0.00 59.98 59.20 2min h ARG 105 Cb 0.45 -0.08 0.02 0.00 0.00 0.00 0.00 29.97 30.35 2min h ARG 105 CO -0.39 1.04 -0.90 1.25 0.00 0.00 0.00 179.97 180.98 2min h HIS 106 N 0.92 0.97 0.00 3.04 2.76 -1.07 -3.34 115.15 118.42 2min h HIS 106 Ca 0.16 -0.50 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 2min h HIS 106 Cb 0.60 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.45 2min h HIS 106 CO 0.04 1.33 -0.88 1.19 -1.30 0.00 0.00 177.93 178.32 2min n PHE 107 N -3.95 0.14 -3.90 5.26 3.72 0.08 -4.68 117.46 114.13 2min n PHE 107 Ca -0.10 0.04 -0.25 0.00 -0.05 0.00 0.00 57.45 57.09 2min n PHE 107 Cb 0.81 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 39.04 2min n PHE 107 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2min n ARG 108 N -1.75 -3.78 -4.12 -1.08 1.74 0.10 -4.99 116.66 102.78 2min n ARG 108 Ca 0.03 0.47 -0.08 0.00 -0.77 0.00 0.00 57.85 57.50 2min n ARG 108 Cb 0.39 -4.75 -0.10 0.00 -1.02 0.00 0.00 32.46 26.97 2min n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2min s GLU 109 N -6.42 0.70 0.48 5.56 0.41 -1.23 -5.07 118.70 113.13 2min s GLU 109 Ca 0.06 -1.27 -0.24 0.00 -0.41 0.00 0.00 54.97 53.11 2min s GLU 109 Cb -0.03 0.11 -0.07 0.00 -1.78 0.00 0.00 34.13 32.36 2min s GLU 109 CO 0.87 -0.10 1.36 -2.30 -0.49 0.00 0.00 175.26 174.59 2min n PRO 110 N 0.05 1.95 -3.69 0.39 -0.02 -1.26 -4.44 135.00 127.98 2min n PRO 110 Ca -0.13 0.70 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 2min n PRO 110 Cb 0.61 -2.55 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 2min n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2min s VAL 111 N -1.24 0.58 -0.14 -1.45 1.01 -1.26 -4.95 120.40 112.94 2min s VAL 111 Ca 0.65 -1.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 2min s VAL 111 Cb -0.45 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2min s VAL 111 CO 0.54 -0.62 0.55 -0.44 0.00 0.00 0.00 175.10 175.13 2min s SER 112 N 1.78 6.70 -0.21 3.32 0.01 -1.26 -4.85 113.70 119.18 2min s SER 112 Ca 0.08 0.84 -0.27 0.00 1.31 0.00 0.00 55.95 57.91 2min s SER 112 Cb -0.17 -2.32 0.08 0.00 0.21 0.00 0.00 66.02 63.83 2min s SER 112 CO -0.26 -0.11 0.79 0.00 0.41 0.00 0.00 173.24 174.07 2min s VAL 114 N -0.14 2.02 0.27 0.00 -7.23 -0.39 -5.02 120.40 109.90 2min s VAL 114 Ca -0.02 -2.10 0.09 0.00 -1.81 0.00 0.00 61.98 58.13 2min s VAL 114 Cb -0.03 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 2min s VAL 114 CO 0.02 -0.12 -0.12 -0.55 -0.31 0.00 0.00 175.10 174.02 2min s SER 115 N -3.63 3.08 -0.26 4.85 0.15 -1.26 -1.27 113.70 115.36 2min s SER 115 Ca 0.33 -1.11 0.12 0.00 0.70 0.00 0.00 55.95 56.00 2min s SER 115 Cb 0.06 -0.22 0.54 0.00 -1.71 0.00 0.00 66.02 64.68 2min s SER 115 CO 0.17 -0.18 1.49 -0.90 1.20 0.00 0.00 173.24 175.02 2min n ASP 116 N -0.57 3.23 -4.13 5.45 5.68 -1.24 -4.93 116.55 120.04 2min n ASP 116 Ca -0.06 -3.43 -0.38 0.00 -0.50 0.00 0.00 54.79 50.41 2min n ASP 116 Cb 0.62 -0.62 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 2min n ASP 116 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2min n SER 117 N -0.84 -2.02 -4.71 -1.12 7.64 -1.24 -4.82 113.62 106.51 2min n SER 117 Ca 0.31 -1.25 -0.42 0.00 1.01 0.00 0.00 58.87 58.51 2min n SER 117 Cb 1.04 -1.88 -0.03 0.00 -1.01 0.00 0.00 64.21 62.33 2min n SER 117 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2min s MET 118 N -7.25 4.37 0.02 1.43 -1.94 -0.43 -4.88 119.30 110.61 2min s MET 118 Ca 0.27 1.89 0.00 0.00 -1.71 0.00 0.00 55.69 56.15 2min s MET 118 Cb -0.14 -3.35 0.00 0.00 2.01 0.00 0.00 34.83 33.35 2min s MET 118 CO 0.97 -0.36 0.01 0.25 -0.01 0.00 0.00 175.02 175.88 2min n THR 119 N 4.04 0.00 -0.23 2.05 -2.24 -1.26 -4.30 114.28 112.34 2min n THR 119 Ca 0.10 -0.07 0.04 0.00 -2.27 0.00 0.00 64.05 61.85 2min n THR 119 Cb 0.45 -0.51 0.15 0.00 -2.10 0.00 0.00 70.33 68.32 2min n THR 119 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2min h GLU 120 N 0.00 0.23 -0.20 -0.78 3.07 -2.02 -1.36 114.58 113.52 2min h GLU 120 Ca -0.01 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 2min h GLU 120 Cb 0.04 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2min h GLU 120 CO 0.02 0.15 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.21 2min h ASP 121 N 0.23 0.31 0.48 1.42 3.32 -1.99 -1.34 116.42 118.85 2min h ASP 121 Ca 0.38 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 2min h ASP 121 Cb 0.63 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 2min h ASP 121 CO -0.50 0.47 -0.11 0.00 -1.72 0.00 0.00 179.24 177.38 2min h ALA 122 N 1.57 1.18 -0.52 3.45 0.00 -1.51 -2.07 119.26 121.37 2min h ALA 122 Ca 0.06 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2min h ALA 122 Cb 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2min h ALA 122 CO 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 179.38 2min h ALA 123 N 1.89 0.70 -0.06 0.00 0.00 -1.14 0.56 119.26 121.21 2min h ALA 123 Ca -0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2min h ALA 123 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2min h ALA 123 CO 0.01 0.54 -0.64 0.28 0.00 0.00 0.00 179.25 179.44 2min h VAL 124 N 0.80 1.40 -0.02 0.00 2.07 -1.41 -3.35 116.25 115.73 2min h VAL 124 Ca 0.14 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.60 2min h VAL 124 Cb 0.56 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2min h VAL 124 CO 0.03 0.61 0.00 0.49 0.02 0.00 0.00 177.57 178.72 2min n PHE 125 N -3.84 0.03 0.00 1.57 3.72 -0.87 -5.13 117.46 112.93 2min n PHE 125 Ca -0.03 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2min n PHE 125 Cb 0.64 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 2min n PHE 125 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2min n GLY 126 N -0.04 -1.26 1.68 1.37 0.00 0.20 -4.79 105.19 102.35 2min n GLY 126 Ca 0.01 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 2min n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2min n GLY 127 N -1.19 4.31 0.11 -0.02 0.00 -1.26 -4.63 105.19 102.52 2min n GLY 127 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 2min n GLY 127 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2min h GLN 128 N 1.60 -0.15 -0.31 1.61 5.75 -1.95 -1.97 115.11 119.69 2min h GLN 128 Ca 0.33 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.83 2min h GLN 128 Cb 2.18 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 30.75 2min h GLN 128 CO 0.68 -0.10 0.16 0.37 -2.65 0.00 0.00 178.83 177.29 2min h GLN 129 N -0.15 0.42 -0.57 1.69 5.75 -1.97 0.14 115.11 120.42 2min h GLN 129 Ca 0.01 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 2min h GLN 129 Cb 0.15 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 2min h GLN 129 CO -0.03 0.32 0.10 -0.91 -2.65 0.00 0.00 178.83 175.66 2min h ASN 130 N 0.42 0.90 -0.01 -0.69 2.35 -1.75 -0.46 115.58 116.33 2min h ASN 130 Ca 0.11 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2min h ASN 130 Cb 0.03 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 2min h ASN 130 CO -0.02 0.92 0.01 -0.03 -1.65 0.00 0.00 177.43 176.66 2min h MET 131 N 0.83 0.02 0.55 0.81 4.05 -0.31 0.28 114.93 121.16 2min h MET 131 Ca 0.17 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 2min h MET 131 Cb 0.40 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2min h MET 131 CO 0.01 0.18 -0.41 0.87 0.23 0.00 0.00 176.91 177.79 2min h LYS 132 N -0.14 -0.90 -0.16 0.39 1.57 -0.88 -1.49 116.57 114.96 2min h LYS 132 Ca 0.00 0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 2min h LYS 132 Cb 0.17 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2min h LYS 132 CO -0.00 -0.60 -0.56 -0.44 -0.57 0.00 0.00 179.45 177.28 2min h ASP 133 N -0.93 0.54 0.63 0.86 3.32 -1.15 -2.94 116.42 116.75 2min h ASP 133 Ca -0.06 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 2min h ASP 133 Cb 0.78 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2min h ASP 133 CO 0.02 0.98 -0.43 1.23 -1.72 0.00 0.00 179.24 179.32 2min h GLY 134 N 1.15 -1.13 0.32 2.75 0.00 -0.35 0.27 103.07 106.07 2min h GLY 134 Ca 0.00 0.48 0.11 0.00 0.00 0.00 0.00 47.33 47.92 2min h GLY 134 CO 0.10 -0.39 0.24 1.41 0.00 0.00 0.00 176.54 177.90 2min h LEU 135 N -1.01 0.23 -0.25 3.11 3.38 -1.36 -0.00 115.31 119.40 2min h LEU 135 Ca -0.08 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2min h LEU 135 Cb 0.83 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2min h LEU 135 CO 0.05 0.12 0.15 -0.61 0.09 0.00 0.00 178.44 178.25 2min h GLN 136 N 0.41 0.33 -0.52 1.13 4.15 -1.31 -0.84 115.11 118.48 2min h GLN 136 Ca 0.33 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.64 2min h GLN 136 Cb 0.44 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 2min h GLN 136 CO -0.33 0.27 -0.01 -0.91 -1.93 0.00 0.00 178.83 175.91 2min h ASN 137 N 0.31 0.91 -0.19 -0.69 2.35 -0.64 -2.14 115.58 115.48 2min h ASN 137 Ca 0.09 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 2min h ASN 137 Cb 0.02 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2min h ASN 137 CO -0.02 1.00 0.07 0.00 -1.65 0.00 0.00 177.43 176.83 2min h LYS 139 N 0.15 -0.04 -0.40 0.00 3.64 -1.03 0.08 116.57 118.96 2min h LYS 139 Ca 0.06 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 2min h LYS 139 Cb 0.20 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2min h LYS 139 CO -0.00 -0.02 -0.28 0.00 -2.27 0.00 0.00 179.45 176.88 2min h ALA 140 N 1.05 0.76 0.12 5.00 0.00 -1.30 -1.98 119.26 122.91 2min h ALA 140 Ca 0.05 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 2min h ALA 140 Cb 0.12 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.78 2min h ALA 140 CO -0.12 0.66 -0.81 1.15 0.00 0.00 0.00 179.25 180.13 2min h THR 141 N 0.72 1.48 -0.02 0.00 2.02 -0.83 -3.38 112.91 112.91 2min h THR 141 Ca 0.09 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.76 2min h THR 141 Cb 0.83 3.16 0.00 0.00 -1.74 0.00 0.00 68.15 70.39 2min h THR 141 CO 0.07 0.70 -0.39 -1.22 0.37 0.00 0.00 175.52 175.06 2min n TYR 142 N -4.15 0.00 -4.02 3.16 4.01 -0.00 -5.02 117.16 111.14 2min n TYR 142 Ca -0.15 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.19 2min n TYR 142 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 2min n TYR 142 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2min n LYS 143 N 0.13 -0.80 -2.25 -0.72 4.76 -0.74 -4.97 118.16 113.56 2min n LYS 143 Ca 0.09 0.18 -0.34 0.00 -2.87 0.00 0.00 58.31 55.38 2min n LYS 143 Cb 0.45 -3.18 -0.00 0.00 -1.84 0.00 0.00 35.03 30.46 2min n LYS 143 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 2min s PRO 144 N -7.06 3.44 0.27 1.97 0.02 -1.26 -4.95 135.00 127.43 2min s PRO 144 Ca 0.38 1.40 0.21 0.00 0.02 0.00 0.00 61.00 63.00 2min s PRO 144 Cb -0.19 -2.04 0.09 0.00 0.02 0.00 0.00 34.50 32.39 2min s PRO 144 CO 0.95 -0.74 1.24 -0.44 -0.33 0.00 0.00 177.00 177.68 2min h ASP 145 N 1.01 0.00 -4.57 2.53 3.32 -0.83 -3.47 116.42 114.41 2min h ASP 145 Ca -0.49 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.41 2min h ASP 145 Cb 1.23 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.56 2min h ASP 145 CO 0.57 0.15 -0.44 -0.32 -1.72 0.00 0.00 179.24 177.48 2min s MET 146 N -3.20 0.44 -0.17 3.56 1.75 -1.15 -4.40 119.30 116.12 2min s MET 146 Ca 0.02 -0.12 0.01 0.00 -1.25 0.00 0.00 55.69 54.35 2min s MET 146 Cb 0.08 0.19 0.01 0.00 2.84 0.00 0.00 34.83 37.95 2min s MET 146 CO 0.75 -0.10 -0.19 0.42 -0.65 0.00 0.00 175.02 175.25 2min s ILE 147 N -0.85 2.22 -0.28 10.11 1.01 -0.81 -1.04 121.20 131.56 2min s ILE 147 Ca -0.09 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 2min s ILE 147 Cb -0.05 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.50 2min s ILE 147 CO 0.02 0.53 0.06 0.00 0.00 0.00 0.00 174.94 175.54 2min s ALA 148 N 1.10 3.03 -0.17 9.38 0.00 -0.39 -3.67 121.76 131.04 2min s ALA 148 Ca 0.00 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.44 2min s ALA 148 Cb -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2min s ALA 148 CO -0.07 -0.79 0.33 0.08 0.00 0.00 0.00 175.76 175.30 2min s VAL 149 N 1.50 5.28 0.07 0.00 1.01 0.03 -1.21 120.40 127.08 2min s VAL 149 Ca 0.03 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2min s VAL 149 Cb -0.16 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 2min s VAL 149 CO 0.02 0.35 0.01 -1.54 0.00 0.00 0.00 175.10 173.94 2min n SER 150 N 3.79 1.78 -4.14 3.32 3.41 -0.11 -1.12 113.62 120.55 2min n SER 150 Ca -0.11 -1.31 -0.11 0.00 -0.26 0.00 0.00 58.87 57.08 2min n SER 150 Cb 0.52 0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 2min n SER 150 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2min s THR 151 N -1.43 0.64 0.37 6.66 -4.23 -1.25 -0.30 115.64 116.09 2min s THR 151 Ca 0.01 -1.74 0.06 0.00 -1.18 0.00 0.00 61.69 58.84 2min s THR 151 Cb 0.00 -1.44 -0.00 0.00 1.34 0.00 0.00 72.50 72.40 2min s THR 151 CO 0.01 -0.77 0.52 0.42 -0.54 0.00 0.00 174.62 174.25 2min s THR 152 N -3.13 3.85 0.50 3.99 -4.23 -0.42 -4.49 115.64 111.70 2min s THR 152 Ca 0.07 -0.94 0.24 0.00 -1.18 0.00 0.00 61.69 59.88 2min s THR 152 Cb 0.02 -3.34 0.29 0.00 1.34 0.00 0.00 72.50 70.81 2min s THR 152 CO -0.04 -0.14 2.13 0.00 -0.54 0.00 0.00 174.62 176.03 2min h MET 154 N 0.00 -0.59 -0.39 0.00 1.85 -1.95 0.10 114.93 113.95 2min h MET 154 Ca -0.00 0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 59.10 2min h MET 154 Cb 0.17 0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 2min h MET 154 CO 0.01 -0.39 0.13 0.00 -0.40 0.00 0.00 176.91 176.26 2min h ALA 155 N -0.03 1.50 -0.14 0.39 0.00 -1.68 -1.84 119.26 117.46 2min h ALA 155 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2min h ALA 155 Cb 0.58 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2min h ALA 155 CO -0.10 0.38 -0.07 0.93 0.00 0.00 0.00 179.25 180.39 2min h GLU 156 N 0.55 0.30 -0.52 0.00 4.39 -0.89 -2.57 114.58 115.84 2min h GLU 156 Ca 0.13 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2min h GLU 156 Cb 0.16 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2min h GLU 156 CO -0.01 0.63 0.08 0.28 -1.16 0.00 0.00 179.01 178.82 2min h VAL 157 N -0.03 1.25 0.00 3.13 2.07 -0.61 -2.38 116.25 119.68 2min h VAL 157 Ca 0.03 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2min h VAL 157 Cb 0.53 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2min h VAL 157 CO 0.02 0.34 0.00 2.30 0.02 0.00 0.00 177.57 180.25 2min n ILE 158 N -4.38 0.08 -2.25 4.57 -5.35 -0.71 -4.91 119.36 106.41 2min n ILE 158 Ca 0.02 0.02 -0.03 0.00 -0.27 0.00 0.00 62.75 62.49 2min n ILE 158 Cb 0.27 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 2min n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2min n GLY 159 N 0.96 0.43 3.72 3.28 0.00 -0.90 -4.99 105.19 107.68 2min n GLY 159 Ca 0.15 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2min n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2min s ASP 160 N -2.93 6.59 -0.66 1.61 1.01 -1.09 -4.93 116.67 116.27 2min s ASP 160 Ca 0.03 2.61 -0.25 0.00 0.71 0.00 0.00 52.55 55.65 2min s ASP 160 Cb -0.01 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.38 2min s ASP 160 CO 0.03 -0.83 1.07 -0.62 0.21 0.00 0.00 175.17 175.04 2min s ASP 161 N 1.25 6.22 0.18 0.27 -1.08 -1.26 -4.88 116.67 117.37 2min s ASP 161 Ca 0.70 -0.61 -0.13 0.00 -0.52 0.00 0.00 52.55 51.98 2min s ASP 161 Cb -0.43 -2.48 0.13 0.00 -1.46 0.00 0.00 42.92 38.68 2min s ASP 161 CO 0.31 -1.52 1.77 -0.07 0.52 0.00 0.00 175.17 176.18 2min h LEU 162 N 11.83 0.27 -0.12 -1.34 3.38 -1.99 -1.15 115.31 126.20 2min h LEU 162 Ca -0.28 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2min h LEU 162 Cb 1.06 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2min h LEU 162 CO 1.19 0.19 -0.09 -1.13 0.09 0.00 0.00 178.44 178.69 2min h ASN 163 N 0.42 -0.30 -0.52 -0.43 -1.24 -1.99 -0.22 115.58 111.30 2min h ASN 163 Ca 0.22 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.26 2min h ASN 163 Cb 0.17 0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 2min h ASN 163 CO -0.18 -0.13 0.21 0.00 -1.29 0.00 0.00 177.43 176.05 2min h ALA 164 N 0.99 0.67 -0.65 1.57 0.00 -1.92 -0.09 119.26 119.83 2min h ALA 164 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2min h ALA 164 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2min h ALA 164 CO -0.18 0.27 0.36 0.74 0.00 0.00 0.00 179.25 180.44 2min h PHE 165 N 0.70 0.89 -0.33 0.00 -1.00 -0.73 0.17 116.94 116.64 2min h PHE 165 Ca 0.17 -0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.84 2min h PHE 165 Cb 0.18 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 2min h PHE 165 CO 0.00 0.64 -0.17 0.82 -1.61 0.00 0.00 178.31 178.00 2min h ILE 166 N 0.89 1.29 -0.90 -0.55 2.04 -0.83 -1.03 117.51 118.41 2min h ILE 166 Ca 0.23 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2min h ILE 166 Cb 0.04 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 2min h ILE 166 CO -0.04 0.42 0.49 0.78 0.00 0.00 0.00 178.15 179.80 2min h ASN 167 N 0.46 1.13 0.08 1.72 -0.26 -0.70 -0.99 115.58 117.02 2min h ASN 167 Ca 0.07 -0.10 -0.11 0.00 -0.56 0.00 0.00 56.30 55.60 2min h ASN 167 Cb 0.70 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 2min h ASN 167 CO 0.05 0.91 -0.37 0.78 -1.06 0.00 0.00 177.43 177.74 2min h ASN 168 N 1.26 0.40 -0.67 5.81 -0.26 -0.49 0.59 115.58 122.23 2min h ASN 168 Ca 0.32 -0.16 -0.03 0.00 -0.56 0.00 0.00 56.30 55.86 2min h ASN 168 Cb 0.03 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.15 2min h ASN 168 CO -0.05 0.74 0.32 0.28 -1.06 0.00 0.00 177.43 177.66 2min h SER 169 N 0.33 0.90 -0.15 5.81 0.02 -0.39 -0.65 113.55 119.42 2min h SER 169 Ca 0.04 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 2min h SER 169 Cb 0.80 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2min h SER 169 CO 0.06 0.77 -0.29 0.11 -1.14 0.00 0.00 176.83 176.35 2min h LYS 170 N 0.98 0.47 -0.86 3.45 1.57 -0.80 0.01 116.57 121.39 2min h LYS 170 Ca 0.24 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2min h LYS 170 Cb 0.12 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2min h LYS 170 CO -0.03 0.90 0.57 0.87 -0.57 0.00 0.00 179.45 181.19 2min h LYS 171 N 0.09 1.13 -0.23 3.15 6.56 -0.56 -2.27 116.57 124.43 2min h LYS 171 Ca 0.01 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 2min h LYS 171 Cb 0.88 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 2min h LYS 171 CO 0.06 0.75 0.00 0.39 -2.06 0.00 0.00 179.45 178.59 2min n GLU 172 N -4.49 1.60 -1.18 3.15 1.02 -0.28 -4.91 120.64 115.55 2min n GLU 172 Ca 0.09 -0.92 -0.06 0.00 -0.02 0.00 0.00 57.16 56.25 2min n GLU 172 Cb 0.02 -1.24 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 2min n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2min n GLY 173 N 0.95 0.85 0.23 0.62 0.00 -0.86 -4.92 105.19 102.07 2min n GLY 173 Ca 0.10 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 2min n GLY 173 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2min h PHE 174 N 0.00 0.94 -4.00 1.61 -1.00 -1.24 -3.43 116.94 109.82 2min h PHE 174 Ca -0.13 -0.33 -0.47 0.00 2.81 0.00 0.00 57.97 59.85 2min h PHE 174 Cb 0.42 -0.18 -0.23 0.00 3.61 0.00 0.00 35.95 39.57 2min h PHE 174 CO 0.19 1.13 -0.80 0.96 -1.61 0.00 0.00 178.31 178.17 2min s ILE 175 N -4.08 1.28 0.45 -0.55 -4.36 -1.20 -4.26 121.20 108.49 2min s ILE 175 Ca -0.09 -1.23 -0.25 0.00 -0.26 0.00 0.00 60.65 58.82 2min s ILE 175 Cb 0.11 -1.18 -0.09 0.00 1.25 0.00 0.00 42.46 42.55 2min s ILE 175 CO 0.87 -0.07 1.36 -2.65 0.24 0.00 0.00 174.94 174.69 2min n PRO 176 N 1.52 2.07 -0.23 0.37 -0.02 -1.26 -4.33 135.00 133.13 2min n PRO 176 Ca -0.19 0.74 0.18 0.00 -2.02 0.00 0.00 63.50 62.20 2min n PRO 176 Cb 0.54 -2.53 0.50 0.00 -0.02 0.00 0.00 33.50 31.99 2min n PRO 176 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2min h ASP 177 N 2.11 0.42 -0.24 2.55 1.82 -1.96 -0.85 116.42 120.27 2min h ASP 177 Ca -0.50 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2min h ASP 177 Cb 1.28 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.25 2min h ASP 177 CO 0.60 0.18 0.00 -0.62 -1.61 0.00 0.00 179.24 177.79 2min n GLU 178 N -4.51 2.33 -2.19 0.28 1.02 -1.26 -4.93 120.64 111.38 2min n GLU 178 Ca 0.18 -1.99 -0.42 0.00 -0.02 0.00 0.00 57.16 54.91 2min n GLU 178 Cb 0.64 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 2min n GLU 178 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2min s PHE 179 N -1.71 3.18 -0.17 -0.32 5.36 -0.33 -4.93 117.98 119.06 2min s PHE 179 Ca 0.35 0.94 -0.29 0.00 -0.96 0.00 0.00 56.93 56.97 2min s PHE 179 Cb 0.21 -3.67 -0.03 0.00 -0.34 0.00 0.00 43.02 39.20 2min s PHE 179 CO 0.31 -2.36 1.47 -1.25 -1.46 0.00 0.00 175.22 171.93 2min s PRO 180 N 1.32 4.06 -0.53 10.12 0.04 -1.26 -4.94 135.00 143.80 2min s PRO 180 Ca 0.64 1.75 0.07 0.00 0.04 0.00 0.00 61.00 63.50 2min s PRO 180 Cb -0.36 -3.91 0.24 0.00 0.04 0.00 0.00 34.50 30.51 2min s PRO 180 CO 0.30 -0.96 0.61 0.28 0.04 0.00 0.00 177.00 177.26 2min n VAL 181 N 5.80 0.85 -1.44 -0.36 0.31 -1.26 -1.92 118.33 120.31 2min n VAL 181 Ca 0.16 -4.59 -0.35 0.00 -0.01 0.00 0.00 64.34 59.55 2min n VAL 181 Cb 0.45 -2.02 0.10 0.00 -0.91 0.00 0.00 33.84 31.45 2min n VAL 181 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2min s PRO 182 N -1.70 2.11 0.14 5.55 0.02 -1.24 -4.87 135.00 135.01 2min s PRO 182 Ca 0.36 1.93 -0.05 0.00 0.02 0.00 0.00 61.00 63.26 2min s PRO 182 Cb 0.13 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.82 2min s PRO 182 CO -0.08 -1.90 0.17 -0.59 -0.33 0.00 0.00 177.00 174.27 2min s PHE 183 N -1.74 0.59 -0.24 6.54 -0.71 -1.26 -0.79 117.98 120.36 2min s PHE 183 Ca 0.78 -0.97 -0.17 0.00 -1.04 0.00 0.00 56.93 55.54 2min s PHE 183 Cb -0.33 -0.25 0.07 0.00 -1.21 0.00 0.00 43.02 41.29 2min s PHE 183 CO 0.45 -0.61 0.61 0.00 -1.34 0.00 0.00 175.22 174.33 2min s ALA 184 N -3.99 -1.59 -0.03 1.99 0.00 -0.27 -4.52 121.76 113.35 2min s ALA 184 Ca 0.19 1.99 -0.30 0.00 0.00 0.00 0.00 51.96 53.84 2min s ALA 184 Cb 0.05 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 2min s ALA 184 CO -0.00 -0.32 1.08 -1.01 0.00 0.00 0.00 175.76 175.50 2min s HIS 185 N 1.07 3.47 -0.54 0.00 3.76 -1.26 -3.88 115.29 117.91 2min s HIS 185 Ca -0.06 1.49 0.06 0.00 -0.15 0.00 0.00 55.06 56.40 2min s HIS 185 Cb -0.05 -3.26 0.22 0.00 1.11 0.00 0.00 32.58 30.59 2min s HIS 185 CO -0.10 -0.60 0.55 0.25 -0.85 0.00 0.00 174.74 173.99 2min n THR 186 N 4.23 0.66 -2.02 1.30 -2.24 -1.26 -4.91 114.28 110.04 2min n THR 186 Ca 0.08 -4.46 -0.42 0.00 -2.27 0.00 0.00 64.05 56.98 2min n THR 186 Cb 0.48 -1.99 -0.03 0.00 -2.10 0.00 0.00 70.33 66.69 2min n THR 186 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2min s PRO 187 N -1.41 4.22 0.52 -0.78 0.04 -1.26 -4.14 135.00 132.18 2min s PRO 187 Ca 0.34 2.21 0.29 0.00 0.04 0.00 0.00 61.00 63.88 2min s PRO 187 Cb 0.09 -3.64 1.35 0.00 0.04 0.00 0.00 34.50 32.34 2min s PRO 187 CO -0.11 -0.70 2.00 0.66 0.04 0.00 0.00 177.00 178.88 2min h SER 188 N 8.35 0.00 -0.06 6.66 4.64 -1.91 -1.86 113.55 129.36 2min h SER 188 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2min h SER 188 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2min h SER 188 CO 0.93 0.12 0.00 2.22 -0.87 0.00 0.00 176.83 179.22 2min n PHE 189 N -3.39 0.08 -5.04 4.77 1.16 -1.26 -4.59 117.46 109.20 2min n PHE 189 Ca -0.01 -0.04 -0.30 0.00 -1.87 0.00 0.00 57.45 55.23 2min n PHE 189 Cb 0.30 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.00 2min n PHE 189 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2min s VAL 190 N -1.92 1.79 0.00 1.97 1.01 -0.70 -5.06 120.40 117.49 2min s VAL 190 Ca 0.14 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2min s VAL 190 Cb 0.07 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.89 2min s VAL 190 CO 0.11 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2min n GLY 191 N 3.55 3.68 2.13 4.51 0.00 -1.26 -4.71 105.19 113.09 2min n GLY 191 Ca -0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 2min n GLY 191 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2min n SER 192 N 5.86 -1.17 -0.40 1.61 3.41 -1.26 -4.89 113.62 116.77 2min n SER 192 Ca 0.00 -1.74 0.34 0.00 -0.26 0.00 0.00 58.87 57.21 2min n SER 192 Cb 0.00 1.93 0.67 0.00 -0.26 0.00 0.00 64.21 66.55 2min n SER 192 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2min h HIS 193 N 1.55 0.32 -0.02 7.33 2.07 -1.14 0.99 115.15 126.25 2min h HIS 193 Ca -0.17 0.01 -0.11 0.00 -2.85 0.00 0.00 60.37 57.25 2min h HIS 193 Cb 0.69 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 30.57 2min h HIS 193 CO 0.00 -0.03 -0.50 -0.39 -3.07 0.00 0.00 177.93 173.94 2min h VAL 194 N 0.13 1.36 -0.35 6.12 -1.51 -1.88 -2.63 116.25 117.49 2min h VAL 194 Ca 0.68 -1.72 -0.12 0.00 -1.23 0.00 0.00 66.70 64.31 2min h VAL 194 Cb 2.30 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 33.35 2min h VAL 194 CO -0.19 0.50 -0.29 0.74 -1.23 0.00 0.00 177.57 177.10 2min h THR 195 N 0.04 1.28 -0.46 7.19 2.02 -1.09 -1.86 112.91 120.02 2min h THR 195 Ca -0.00 -1.42 -0.07 0.00 0.77 0.00 0.00 66.41 65.69 2min h THR 195 Cb 0.90 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2min h THR 195 CO 0.07 0.47 -0.02 1.23 0.37 0.00 0.00 175.52 177.64 2min h GLY 196 N 0.96 0.83 0.73 2.16 0.00 -1.37 0.07 103.07 106.45 2min h GLY 196 Ca 0.08 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2min h GLY 196 CO 0.07 0.52 -0.04 -0.25 0.00 0.00 0.00 176.54 176.84 2min h TRP 197 N 0.72 -0.09 -0.38 5.60 7.01 -1.21 -1.55 115.95 126.05 2min h TRP 197 Ca 0.14 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.20 2min h TRP 197 Cb 0.46 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.50 2min h TRP 197 CO 0.02 0.19 0.05 0.22 -2.79 0.00 0.00 178.44 176.13 2min h ASP 198 N -0.38 -0.05 -0.69 2.65 3.58 -1.15 -0.39 116.42 119.99 2min h ASP 198 Ca -0.01 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2min h ASP 198 Cb 0.32 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 2min h ASP 198 CO 0.02 0.01 0.43 0.78 -2.88 0.00 0.00 179.24 177.60 2min h ASN 199 N 0.16 0.81 -0.29 2.28 2.35 -0.96 -0.81 115.58 119.12 2min h ASN 199 Ca 0.18 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2min h ASN 199 Cb 0.23 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2min h ASN 199 CO -0.27 0.62 0.01 -0.03 -1.65 0.00 0.00 177.43 176.11 2min h MET 200 N 0.93 0.51 -0.09 0.81 4.05 -0.72 -1.20 114.93 119.22 2min h MET 200 Ca 0.25 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 2min h MET 200 Cb -0.06 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 2min h MET 200 CO -0.05 0.65 0.05 0.35 0.23 0.00 0.00 176.91 178.14 2min h PHE 201 N 0.31 0.13 -0.74 1.39 3.57 -0.79 0.21 116.94 121.02 2min h PHE 201 Ca 0.08 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2min h PHE 201 Cb 0.41 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2min h PHE 201 CO 0.03 0.15 0.37 1.49 -2.23 0.00 0.00 178.31 178.13 2min h GLU 202 N 0.06 1.04 -0.59 1.11 4.22 -1.13 0.39 114.58 119.67 2min h GLU 202 Ca 0.03 -0.13 -0.04 0.00 0.08 0.00 0.00 59.36 59.30 2min h GLU 202 Cb 0.07 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2min h GLU 202 CO -0.01 0.78 0.21 0.78 -2.18 0.00 0.00 179.01 178.59 2min h GLY 203 N 1.08 0.98 1.12 1.92 0.00 -0.51 -0.77 103.07 106.89 2min h GLY 203 Ca 0.26 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 2min h GLY 203 CO -0.04 0.53 -0.12 -2.22 0.00 0.00 0.00 176.54 174.69 2min h ILE 204 N 0.84 1.27 -0.24 2.60 2.04 -0.49 -2.03 117.51 121.50 2min h ILE 204 Ca 0.19 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 2min h ILE 204 Cb 0.26 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2min h ILE 204 CO -0.01 0.45 0.13 0.00 0.00 0.00 0.00 178.15 178.72 2min h ALA 205 N 0.94 0.31 -0.38 1.87 0.00 -0.58 -2.80 119.26 118.62 2min h ALA 205 Ca 0.14 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2min h ALA 205 Cb 0.69 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2min h ALA 205 CO 0.05 -0.16 0.17 0.00 0.00 0.00 0.00 179.25 179.32 2min h ARG 206 N 0.27 0.34 -0.76 0.00 3.08 -1.08 -1.97 114.38 114.26 2min h ARG 206 Ca 0.08 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.24 2min h ARG 206 Cb 0.08 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 29.96 2min h ARG 206 CO -0.01 0.23 0.35 -0.92 -1.07 0.00 0.00 179.97 178.55 2min h TYR 207 N 0.35 0.61 0.00 3.04 3.20 -1.16 -1.17 116.97 121.85 2min h TYR 207 Ca 0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2min h TYR 207 Cb 0.09 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.20 2min h TYR 207 CO -0.11 0.15 -0.63 1.19 -1.64 0.00 0.00 178.16 177.12 2min n PHE 208 N -4.92 0.01 0.00 -3.82 3.72 -1.06 -4.67 117.46 106.71 2min n PHE 208 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2min n PHE 208 Cb 0.37 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 2min n PHE 208 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2min n THR 209 N -1.51 0.00 -0.33 4.37 -2.24 -0.77 -4.54 114.28 109.27 2min n THR 209 Ca 0.05 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.91 2min n THR 209 Cb 0.34 -0.10 0.24 0.00 -2.10 0.00 0.00 70.33 68.71 2min n THR 209 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2min h LEU 210 N 0.00 0.72 -1.51 3.22 5.85 -1.42 -0.48 115.31 121.70 2min h LEU 210 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2min h LEU 210 Cb 0.23 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2min h LEU 210 CO 0.00 0.33 0.00 0.29 -0.34 0.00 0.00 178.44 178.72 2min n LYS 211 N -4.76 2.01 0.00 1.25 4.76 -1.26 -4.09 118.16 116.06 2min n LYS 211 Ca 0.18 -1.49 0.04 0.00 -2.87 0.00 0.00 58.31 54.17 2min n LYS 211 Cb 0.42 -1.46 0.01 0.00 -1.84 0.00 0.00 35.03 32.17 2min n LYS 211 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2min n SER 212 N 0.75 1.38 0.04 4.39 2.88 -0.20 -4.75 113.62 118.10 2min n SER 212 Ca 0.17 -1.19 0.22 0.00 -1.33 0.00 0.00 58.87 56.74 2min n SER 212 Cb 0.45 0.29 0.70 0.00 -0.75 0.00 0.00 64.21 64.90 2min n SER 212 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2min h MET 213 N 1.30 0.00 -1.00 -1.46 2.86 -1.67 -3.09 114.93 111.87 2min h MET 213 Ca 0.00 0.00 0.29 0.00 -2.06 0.00 0.00 59.70 57.93 2min h MET 213 Cb 0.33 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.85 2min h MET 213 CO 0.00 0.00 0.58 -0.44 1.06 0.00 0.00 176.91 178.11 2min h ASP 214 N 0.00 0.58 -0.61 1.22 3.32 -1.92 -1.73 116.42 117.28 2min h ASP 214 Ca 0.24 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2min h ASP 214 Cb 1.37 0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.02 2min h ASP 214 CO -0.00 -0.04 0.00 -0.90 -1.72 0.00 0.00 179.24 176.58 2min n ASP 215 N -4.98 4.79 -4.71 6.45 5.75 -1.17 -4.96 116.55 117.72 2min n ASP 215 Ca 0.30 -2.52 -0.36 0.00 -0.01 0.00 0.00 54.79 52.20 2min n ASP 215 Cb 0.89 -0.58 -0.08 0.00 -1.03 0.00 0.00 41.12 40.32 2min n ASP 215 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2min s LYS 216 N -1.98 4.17 -0.17 0.11 1.02 -0.65 -5.06 119.74 117.17 2min s LYS 216 Ca 0.50 -0.16 -0.02 0.00 0.02 0.00 0.00 55.97 56.31 2min s LYS 216 Cb 0.33 -3.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 2min s LYS 216 CO 0.23 0.21 -0.10 0.08 -0.92 0.00 0.00 175.35 174.85 2min s VAL 217 N 0.61 3.12 0.05 3.17 1.01 -1.26 -4.99 120.40 122.11 2min s VAL 217 Ca 0.10 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2min s VAL 217 Cb -0.12 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 2min s VAL 217 CO 0.01 0.48 1.86 -0.69 0.00 0.00 0.00 175.10 176.76 2min s VAL 218 N 0.91 2.96 0.00 2.92 1.01 -1.26 -2.16 120.40 124.78 2min s VAL 218 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2min s VAL 218 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2min s VAL 218 CO -0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2min n GLY 219 N 4.35 2.00 0.29 4.51 0.00 -0.59 -4.87 105.19 110.88 2min n GLY 219 Ca 0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.36 2min n GLY 219 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2min h SER 220 N 0.00 0.00 0.04 1.61 4.64 -0.82 -0.66 113.55 118.36 2min h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2min h SER 220 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2min h SER 220 CO 0.00 0.06 -0.18 -0.46 -0.87 0.00 0.00 176.83 175.38 2min n ASN 221 N -3.53 1.91 -2.36 4.97 0.23 -0.63 -4.97 115.26 110.88 2min n ASN 221 Ca -0.02 -1.49 -0.17 0.00 -0.53 0.00 0.00 54.58 52.37 2min n ASN 221 Cb 0.17 0.15 -0.01 0.00 -2.08 0.00 0.00 39.78 38.01 2min n ASN 221 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2min n LYS 222 N 0.24 -1.90 -4.17 -3.83 5.02 -0.26 -4.99 118.16 108.28 2min n LYS 222 Ca 0.14 0.84 -0.24 0.00 -2.02 0.00 0.00 58.31 57.03 2min n LYS 222 Cb 0.44 -5.45 -0.07 0.00 -0.02 0.00 0.00 35.03 29.93 2min n LYS 222 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2min s LYS 223 N -4.94 2.27 -0.12 1.97 1.02 -1.26 -4.51 119.74 114.18 2min s LYS 223 Ca 0.00 -1.63 0.01 0.00 0.02 0.00 0.00 55.97 54.37 2min s LYS 223 Cb 0.00 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.21 2min s LYS 223 CO 0.00 0.10 -0.15 0.42 -0.92 0.00 0.00 175.35 174.80 2min s ILE 224 N -2.47 2.93 0.17 2.17 1.01 -0.57 -0.37 121.20 124.08 2min s ILE 224 Ca 0.37 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 60.10 2min s ILE 224 Cb -0.01 -2.21 -0.08 0.00 0.01 0.00 0.00 42.46 40.17 2min s ILE 224 CO 0.22 0.54 0.69 0.20 0.00 0.00 0.00 174.94 176.59 2min s ASN 225 N 0.20 7.13 -0.14 3.58 0.01 -0.53 -1.57 114.94 123.62 2min s ASN 225 Ca -0.09 1.42 0.01 0.00 -0.71 0.00 0.00 52.86 53.49 2min s ASN 225 Cb -0.15 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 39.11 2min s ASN 225 CO 0.05 0.13 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.99 2min s ILE 226 N -1.34 1.61 -0.28 0.60 -1.09 0.32 -0.48 121.20 120.53 2min s ILE 226 Ca 0.38 -0.67 -0.05 0.00 -2.23 0.00 0.00 60.65 58.08 2min s ILE 226 Cb -0.19 -1.49 0.02 0.00 -1.58 0.00 0.00 42.46 39.22 2min s ILE 226 CO 0.22 0.46 0.03 -0.69 -1.23 0.00 0.00 174.94 173.73 2min s VAL 227 N 1.33 3.54 -0.13 2.92 1.01 -0.53 -0.93 120.40 127.61 2min s VAL 227 Ca 0.02 -0.89 0.19 0.00 0.00 0.00 0.00 61.98 61.30 2min s VAL 227 Cb -0.13 -2.85 0.16 0.00 0.00 0.00 0.00 36.38 33.56 2min s VAL 227 CO -0.08 0.08 1.58 1.55 0.00 0.00 0.00 175.10 178.23 2min h PRO 228 N 8.15 0.00 -0.71 2.72 0.13 -1.86 0.23 132.00 140.67 2min h PRO 228 Ca -0.30 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.91 2min h PRO 228 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2min h PRO 228 CO 0.59 0.33 -0.13 0.41 -0.23 0.00 0.00 178.00 178.97 2min n GLY 229 N 0.90 -1.50 3.60 1.56 0.00 -1.26 -4.16 105.19 104.33 2min n GLY 229 Ca 0.02 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 2min n GLY 229 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2min s PHE 230 N -1.41 1.49 -0.05 1.61 2.19 -1.26 -4.95 117.98 115.60 2min s PHE 230 Ca 0.00 0.60 0.00 0.00 0.33 0.00 0.00 56.93 57.87 2min s PHE 230 Cb 0.00 -4.02 0.02 0.00 -1.31 0.00 0.00 43.02 37.71 2min s PHE 230 CO 0.00 -3.47 -0.03 -2.00 1.83 0.00 0.00 175.22 171.55 2min s GLU 231 N 6.04 0.74 -0.13 10.12 2.56 -1.26 -5.03 118.70 131.73 2min s GLU 231 Ca 0.90 -0.04 0.19 0.00 0.00 0.00 0.00 54.97 56.02 2min s GLU 231 Cb -0.27 -0.87 0.31 0.00 2.00 0.00 0.00 34.13 35.30 2min s GLU 231 CO 0.34 -0.15 1.17 0.25 -0.56 0.00 0.00 175.26 176.30 2min n THR 232 N 4.39 1.92 -4.48 -1.70 -2.24 -1.26 -4.93 114.28 105.98 2min n THR 232 Ca -0.20 -2.28 -0.33 0.00 -2.27 0.00 0.00 64.05 58.98 2min n THR 232 Cb 0.51 -0.24 -0.16 0.00 -2.10 0.00 0.00 70.33 68.34 2min n THR 232 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2min s TYR 233 N -2.89 2.76 0.37 4.78 2.02 -1.26 -4.78 117.35 118.35 2min s TYR 233 Ca 0.33 -1.20 0.10 0.00 -0.37 0.00 0.00 57.07 55.93 2min s TYR 233 Cb 0.29 -1.89 0.72 0.00 -0.40 0.00 0.00 41.96 40.68 2min s TYR 233 CO 0.03 -0.56 1.86 -0.07 -1.57 0.00 0.00 175.55 175.24 2min h LEU 234 N 7.44 0.16 -1.77 -1.29 3.38 -1.28 -2.50 115.31 119.45 2min h LEU 234 Ca -0.35 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2min h LEU 234 Cb 1.18 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2min h LEU 234 CO 0.58 0.41 -0.15 1.23 0.09 0.00 0.00 178.44 180.60 2min h GLY 235 N 0.90 0.00 0.73 0.83 0.00 -1.42 -1.84 103.07 102.28 2min h GLY 235 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 2min h GLY 235 CO 0.04 0.00 -0.27 3.43 0.00 0.00 0.00 176.54 179.73 2min h ASN 236 N 0.00 0.43 -0.51 0.19 2.35 -1.56 0.72 115.58 117.20 2min h ASN 236 Ca -0.00 -0.59 0.01 0.00 -0.55 0.00 0.00 56.30 55.17 2min h ASN 236 Cb 0.40 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 2min h ASN 236 CO 0.02 0.94 0.32 -0.26 -1.65 0.00 0.00 177.43 176.80 2min h PHE 237 N -0.06 0.61 -0.22 1.19 0.04 -1.62 -2.82 116.94 114.06 2min h PHE 237 Ca -0.00 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.80 2min h PHE 237 Cb 0.88 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 2min h PHE 237 CO 0.11 0.37 0.11 -0.09 -0.60 0.00 0.00 178.31 178.21 2min h ARG 238 N 0.66 0.22 -0.14 1.51 9.65 -1.29 -2.69 114.38 122.29 2min h ARG 238 Ca 0.19 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 58.91 2min h ARG 238 Cb -0.04 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 2min h ARG 238 CO -0.06 0.15 -0.56 -0.24 2.80 0.00 0.00 179.97 182.06 2min h VAL 239 N 0.23 1.34 0.05 0.20 3.04 -0.76 -1.19 116.25 119.16 2min h VAL 239 Ca 0.09 -1.84 -0.00 0.00 -1.01 0.00 0.00 66.70 63.94 2min h VAL 239 Cb 0.02 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 2min h VAL 239 CO -0.06 0.56 -0.02 0.40 -1.01 0.00 0.00 177.57 177.43 2min h ILE 240 N 0.33 1.08 -0.81 3.17 1.08 -1.42 -0.72 117.51 120.22 2min h ILE 240 Ca 0.00 -0.43 0.05 0.00 -0.39 0.00 0.00 64.86 64.09 2min h ILE 240 Cb 1.08 1.37 -0.05 0.00 -3.07 0.00 0.00 36.82 36.14 2min h ILE 240 CO 0.10 0.11 0.51 0.11 -0.69 0.00 0.00 178.15 178.28 2min h LYS 241 N -0.26 0.92 0.24 2.37 1.57 -1.38 -2.24 116.57 117.79 2min h LYS 241 Ca -0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2min h LYS 241 Cb 0.23 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2min h LYS 241 CO 0.01 0.61 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.28 2min h ARG 242 N 0.95 -0.34 -0.51 3.15 1.12 -0.76 -1.03 114.38 116.96 2min h ARG 242 Ca 0.34 0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 59.16 2min h ARG 242 Cb 0.10 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.12 2min h ARG 242 CO -0.15 -0.23 -0.00 0.52 -3.11 0.00 0.00 179.97 177.01 2min h MET 243 N -0.35 0.87 -0.55 0.20 2.86 -0.98 -0.78 114.93 116.19 2min h MET 243 Ca -0.03 -0.25 -0.10 0.00 -2.06 0.00 0.00 59.70 57.27 2min h MET 243 Cb 0.29 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2min h MET 243 CO 0.03 0.87 -0.04 -0.07 1.06 0.00 0.00 176.91 178.76 2min h LEU 244 N 0.80 0.99 -0.61 1.22 3.38 -1.28 -1.60 115.31 118.21 2min h LEU 244 Ca 0.15 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2min h LEU 244 Cb 0.48 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2min h LEU 244 CO 0.02 1.08 0.18 0.28 0.09 0.00 0.00 178.44 180.10 2min h SER 245 N 0.88 0.89 -1.01 -0.43 0.02 -0.91 -0.92 113.55 112.07 2min h SER 245 Ca 0.15 -0.21 0.12 0.00 -0.84 0.00 0.00 61.79 61.01 2min h SER 245 Cb 0.60 -0.23 -0.09 0.00 0.14 0.00 0.00 62.40 62.82 2min h SER 245 CO 0.04 0.87 0.63 -0.33 -1.14 0.00 0.00 176.83 176.90 2min h GLU 246 N 0.87 0.96 0.00 3.45 5.08 -0.78 -0.84 114.58 123.32 2min h GLU 246 Ca 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2min h GLU 246 Cb 0.30 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2min h GLU 246 CO -0.00 0.64 0.00 -1.33 -1.00 0.00 0.00 179.01 177.31 2min n MET 247 N -4.62 0.25 -1.58 2.33 2.81 -0.64 -4.80 117.12 110.87 2min n MET 247 Ca 0.19 0.02 -0.08 0.00 -1.81 0.00 0.00 57.70 56.02 2min n MET 247 Cb 0.36 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.35 2min n MET 247 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2min n GLY 248 N 1.23 0.66 3.67 3.03 0.00 -0.32 -4.73 105.19 108.73 2min n GLY 248 Ca 0.11 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 2min n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2min s VAL 249 N -2.35 4.89 0.13 1.61 1.01 -0.42 -5.01 120.40 120.26 2min s VAL 249 Ca 0.00 1.58 -0.31 0.00 0.00 0.00 0.00 61.98 63.25 2min s VAL 249 Cb 0.00 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 2min s VAL 249 CO 0.00 0.03 1.32 -0.83 0.00 0.00 0.00 175.10 175.62 2min s GLY 250 N 1.17 2.21 0.22 4.51 0.00 -1.26 -4.50 107.32 109.66 2min s GLY 250 Ca 0.37 1.06 -0.08 0.00 0.00 0.00 0.00 44.72 46.07 2min s GLY 250 CO 0.12 2.20 0.33 -2.52 0.00 0.00 0.00 173.10 173.22 2min s TYR 251 N 0.79 0.63 -0.17 1.90 1.13 -1.26 -1.50 117.35 118.87 2min s TYR 251 Ca 0.61 -0.95 -0.04 0.00 -1.41 0.00 0.00 57.07 55.28 2min s TYR 251 Cb -0.35 -0.11 0.07 0.00 -1.10 0.00 0.00 41.96 40.48 2min s TYR 251 CO 0.32 -0.82 0.17 0.45 -2.51 0.00 0.00 175.55 173.15 2min s SER 252 N -3.06 1.58 -0.33 -0.18 0.15 -0.61 -4.84 113.70 106.43 2min s SER 252 Ca 0.27 -0.25 -0.25 0.00 0.70 0.00 0.00 55.95 56.41 2min s SER 252 Cb 0.03 0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.50 2min s SER 252 CO 0.08 -0.32 0.89 -0.22 1.20 0.00 0.00 173.24 174.87 2min s LEU 253 N 2.26 4.04 -0.39 3.45 2.96 -1.26 -0.52 118.68 129.21 2min s LEU 253 Ca 0.05 0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 54.56 2min s LEU 253 Cb -0.15 -3.23 0.04 0.00 0.50 0.00 0.00 46.19 43.36 2min s LEU 253 CO -0.10 -0.74 0.23 -0.76 -1.32 0.00 0.00 176.35 173.66 2min s LEU 254 N 3.25 4.89 0.00 -0.68 1.43 -0.10 -4.44 118.68 123.03 2min s LEU 254 Ca 0.37 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 2min s LEU 254 Cb -0.13 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2min s LEU 254 CO 0.15 -0.44 0.00 -0.24 0.23 0.00 0.00 176.35 176.05 2min n SER 255 N 5.00 -0.57 -3.83 2.29 2.88 -1.26 -4.23 113.62 113.90 2min n SER 255 Ca -0.11 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.13 2min n SER 255 Cb 0.45 -0.28 -0.14 0.00 -0.75 0.00 0.00 64.21 63.48 2min n SER 255 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2min s ASP 256 N 0.00 4.17 0.00 -3.46 2.15 0.32 -4.75 116.67 115.10 2min s ASP 256 Ca 0.00 -2.18 0.19 0.00 0.43 0.00 0.00 52.55 50.99 2min s ASP 256 Cb 0.00 -1.20 0.68 0.00 -0.30 0.00 0.00 42.92 42.10 2min s ASP 256 CO 0.00 -0.35 1.50 -0.81 -0.17 0.00 0.00 175.17 175.34 2min n PRO 257 N 4.17 1.70 0.27 4.34 -0.04 -1.26 -3.46 135.00 140.71 2min n PRO 257 Ca 0.03 -1.05 0.12 0.00 -0.04 0.00 0.00 63.50 62.56 2min n PRO 257 Cb 0.39 -1.36 0.76 0.00 -0.04 0.00 0.00 33.50 33.25 2min n PRO 257 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2min h GLU 258 N 2.04 0.00 0.03 0.54 -0.00 -1.93 -1.20 114.58 114.05 2min h GLU 258 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.28 2min h GLU 258 Cb 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.20 2min h GLU 258 CO 0.00 0.07 -0.39 0.93 -0.00 0.00 0.00 179.01 179.62 2min h GLU 259 N 0.00 0.07 0.00 1.06 4.39 -1.82 -3.25 114.58 115.04 2min h GLU 259 Ca -0.00 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2min h GLU 259 Cb 0.16 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2min h GLU 259 CO 0.01 1.06 -0.03 -0.39 -1.16 0.00 0.00 179.01 178.49 2min h VAL 260 N -0.85 0.17 -0.53 3.13 -1.51 -1.47 -1.87 116.25 113.33 2min h VAL 260 Ca -0.09 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 2min h VAL 260 Cb 1.20 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2min h VAL 260 CO 0.00 0.03 0.00 0.18 -1.23 0.00 0.00 177.57 176.55 2min n LEU 261 N -3.27 5.11 -2.71 4.19 4.77 -0.49 -4.46 117.00 120.14 2min n LEU 261 Ca -0.02 -2.59 -0.08 0.00 -0.03 0.00 0.00 56.01 53.30 2min n LEU 261 Cb 0.18 -0.65 0.11 0.00 -2.33 0.00 0.00 43.42 40.73 2min n LEU 261 CO 0.25 0.61 0.46 -0.67 -1.33 0.00 0.00 177.39 176.72 2min n ASP 262 N 0.64 -2.03 -4.79 -1.43 2.03 -0.71 -4.94 116.55 105.32 2min n ASP 262 Ca 0.25 -2.82 -0.35 0.00 0.52 0.00 0.00 54.79 52.38 2min n ASP 262 Cb 1.05 1.30 -0.05 0.00 -0.72 0.00 0.00 41.12 42.70 2min n ASP 262 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2min s THR 263 N 0.22 4.05 0.33 5.18 -4.23 -1.19 -4.91 115.64 115.09 2min s THR 263 Ca 0.22 1.50 -0.29 0.00 -1.18 0.00 0.00 61.69 61.93 2min s THR 263 Cb 0.36 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 70.36 2min s THR 263 CO -0.08 -0.07 1.40 -2.16 -0.54 0.00 0.00 174.62 173.18 2min s PRO 264 N -2.62 4.26 -0.86 3.99 0.04 -1.26 -4.96 135.00 133.58 2min s PRO 264 Ca 0.58 2.35 -0.21 0.00 0.04 0.00 0.00 61.00 63.76 2min s PRO 264 Cb -0.17 -3.05 0.09 0.00 0.04 0.00 0.00 34.50 31.42 2min s PRO 264 CO 0.22 -0.36 1.15 0.00 0.04 0.00 0.00 177.00 178.05 2min s ALA 265 N -0.84 3.12 -0.10 8.56 0.00 -1.26 -4.75 121.76 126.49 2min s ALA 265 Ca 0.53 -2.31 0.14 0.00 0.00 0.00 0.00 51.96 50.32 2min s ALA 265 Cb -0.43 -4.10 0.21 0.00 0.00 0.00 0.00 23.12 18.80 2min s ALA 265 CO 0.54 -3.07 1.10 -0.40 0.00 0.00 0.00 175.76 173.93 2min n ASP 266 N 7.53 1.78 0.00 0.00 5.75 -1.26 -4.97 116.55 125.38 2min n ASP 266 Ca 0.16 -2.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 2min n ASP 266 Cb 0.48 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 2min n ASP 266 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2min n GLY 267 N -1.07 0.59 3.12 6.12 0.00 -1.26 -5.08 105.19 107.61 2min n GLY 267 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2min n GLY 267 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2min s GLN 268 N -0.61 0.52 -0.24 1.61 -2.07 -1.26 -5.13 119.66 112.48 2min s GLN 268 Ca 0.00 -0.49 -0.17 0.00 -1.82 0.00 0.00 55.36 52.88 2min s GLN 268 Cb 0.00 0.21 -0.03 0.00 -1.09 0.00 0.00 33.01 32.10 2min s GLN 268 CO 0.00 -0.13 0.47 0.12 -1.32 0.00 0.00 175.29 174.43 2min s PHE 269 N -1.71 3.31 -0.43 9.60 5.36 -1.26 -4.90 117.98 127.95 2min s PHE 269 Ca -0.12 0.63 -0.16 0.00 -0.96 0.00 0.00 56.93 56.32 2min s PHE 269 Cb -0.06 -2.65 0.03 0.00 -0.34 0.00 0.00 43.02 40.00 2min s PHE 269 CO 0.00 -0.18 0.39 1.03 -1.46 0.00 0.00 175.22 175.01 2min s ARG 270 N 1.92 3.03 0.22 10.12 0.52 -1.26 -4.95 118.95 128.56 2min s ARG 270 Ca 0.21 -0.96 -0.05 0.00 -0.52 0.00 0.00 55.73 54.40 2min s ARG 270 Cb -0.15 -4.01 0.21 0.00 0.52 0.00 0.00 34.95 31.52 2min s ARG 270 CO 0.09 -0.87 1.72 1.98 0.02 0.00 0.00 175.30 178.24 2min h MET 271 N 8.71 0.95 -6.19 3.54 1.85 -1.99 -3.44 114.93 118.36 2min h MET 271 Ca -0.27 -0.26 -0.56 0.00 -0.61 0.00 0.00 59.70 57.99 2min h MET 271 Cb 1.11 -0.11 -0.20 0.00 0.43 0.00 0.00 31.60 32.84 2min h MET 271 CO 0.80 0.92 -0.81 0.71 -0.40 0.00 0.00 176.91 178.12 2min s TYR 272 N -5.06 1.89 -0.28 1.39 2.02 -1.26 -4.91 117.35 111.15 2min s TYR 272 Ca -0.11 -0.43 -0.23 0.00 -0.37 0.00 0.00 57.07 55.94 2min s TYR 272 Cb 0.14 -0.99 0.09 0.00 -0.40 0.00 0.00 41.96 40.81 2min s TYR 272 CO 0.83 0.29 0.83 0.00 -1.57 0.00 0.00 175.55 175.94 2min s ALA 273 N -1.52 -1.90 0.00 3.71 0.00 -1.26 -4.99 121.76 115.80 2min s ALA 273 Ca 0.12 2.07 0.00 0.00 0.00 0.00 0.00 51.96 54.14 2min s ALA 273 Cb -0.08 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.69 2min s ALA 273 CO 0.06 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2min n GLY 274 N 2.91 2.52 0.00 0.00 0.00 -1.26 -3.30 105.19 106.07 2min n GLY 274 Ca -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2min n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2min n GLY 275 N 0.00 0.28 3.72 -0.02 0.00 -1.23 -3.87 105.19 104.08 2min n GLY 275 Ca 0.00 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2min n GLY 275 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2min s THR 276 N -2.80 3.57 0.63 2.61 2.01 -0.05 -4.24 115.64 117.38 2min s THR 276 Ca 0.00 1.18 -0.11 0.00 0.31 0.00 0.00 61.69 63.07 2min s THR 276 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2min s THR 276 CO 0.00 0.12 1.03 0.42 -0.69 0.00 0.00 174.62 175.50 2min s THR 277 N 0.75 4.43 0.38 -0.82 -4.23 -1.26 -0.77 115.64 114.12 2min s THR 277 Ca 0.60 0.73 0.11 0.00 -1.18 0.00 0.00 61.69 61.95 2min s THR 277 Cb -0.34 -3.77 0.12 0.00 1.34 0.00 0.00 72.50 69.85 2min s THR 277 CO 0.32 -1.00 1.87 1.56 -0.54 0.00 0.00 174.62 176.83 2min h GLN 278 N -0.36 0.13 -0.67 3.99 4.20 -1.95 -2.36 115.11 118.09 2min h GLN 278 Ca -0.44 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.15 2min h GLN 278 Cb 1.21 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 2min h GLN 278 CO 0.62 0.38 0.10 0.93 -0.67 0.00 0.00 178.83 180.20 2min h GLU 279 N 0.12 1.11 -0.48 1.46 3.07 -1.99 -0.92 114.58 116.95 2min h GLU 279 Ca 0.02 -0.30 -0.09 0.00 -0.50 0.00 0.00 59.36 58.49 2min h GLU 279 Cb 0.52 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 2min h GLU 279 CO 0.04 1.02 -0.04 0.93 -1.40 0.00 0.00 179.01 179.56 2min h GLU 280 N 1.04 0.87 -0.67 2.33 5.08 -1.82 -1.64 114.58 119.77 2min h GLU 280 Ca 0.20 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2min h GLU 280 Cb 0.45 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2min h GLU 280 CO 0.01 0.93 0.19 0.52 -1.00 0.00 0.00 179.01 179.67 2min h MET 281 N 0.73 1.05 -0.38 2.33 2.86 -1.16 -0.56 114.93 119.79 2min h MET 281 Ca 0.13 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 2min h MET 281 Cb 0.56 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 2min h MET 281 CO 0.03 0.91 -0.07 0.87 1.06 0.00 0.00 176.91 179.71 2min h LYS 282 N 1.00 0.64 0.00 1.72 1.57 -1.02 -3.02 116.57 117.46 2min h LYS 282 Ca 0.22 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2min h LYS 282 Cb 0.31 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2min h LYS 282 CO -0.00 0.71 -0.33 -3.47 -0.57 0.00 0.00 179.45 175.79 2min n ASP 283 N -4.21 0.34 -0.15 0.86 2.03 -0.63 -4.36 116.55 110.43 2min n ASP 283 Ca 0.01 0.03 0.14 0.00 0.52 0.00 0.00 54.79 55.49 2min n ASP 283 Cb 0.32 -0.02 0.50 0.00 -0.72 0.00 0.00 41.12 41.19 2min n ASP 283 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2min h ALA 284 N 2.98 2.07 -0.23 -1.67 0.00 -0.97 -1.02 119.26 120.43 2min h ALA 284 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2min h ALA 284 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2min h ALA 284 CO 0.00 -0.26 0.21 -1.35 0.00 0.00 0.00 179.25 177.85 2min h PRO 285 N 0.43 0.00 0.00 0.00 0.11 -1.81 -2.24 132.00 128.50 2min h PRO 285 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 2min h PRO 285 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2min h PRO 285 CO -0.11 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.77 2min n ASN 286 N -4.04 0.00 -4.75 -2.05 4.13 -0.39 -4.34 115.26 103.83 2min n ASN 286 Ca 0.03 -0.03 -0.33 0.00 1.68 0.00 0.00 54.58 55.92 2min n ASN 286 Cb 0.35 -0.30 0.07 0.00 -1.54 0.00 0.00 39.78 38.36 2min n ASN 286 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2min s ALA 287 N -2.59 2.32 0.19 5.41 0.00 -0.84 -1.54 121.76 124.71 2min s ALA 287 Ca 0.22 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 2min s ALA 287 Cb 0.16 -3.37 0.15 0.00 0.00 0.00 0.00 23.12 20.06 2min s ALA 287 CO 0.37 -1.52 1.82 -0.07 0.00 0.00 0.00 175.76 176.36 2min h LEU 288 N -0.13 0.57 -7.91 0.00 3.38 -0.95 -2.33 115.31 107.94 2min h LEU 288 Ca -0.47 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.61 2min h LEU 288 Cb 1.26 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 2min h LEU 288 CO 0.52 0.39 0.44 0.21 0.09 0.00 0.00 178.44 180.10 2min s ASN 289 N -5.63 -0.06 -0.06 -0.43 3.84 -1.26 -4.55 114.94 106.79 2min s ASN 289 Ca -0.13 -0.75 0.03 0.00 0.21 0.00 0.00 52.86 52.22 2min s ASN 289 Cb 0.14 0.62 0.01 0.00 -0.55 0.00 0.00 41.25 41.47 2min s ASN 289 CO 0.75 -1.21 -0.13 -0.89 -2.79 0.00 0.00 177.10 172.84 2min s THR 290 N -2.62 1.14 -0.15 -5.21 2.01 -1.26 -1.45 115.64 108.10 2min s THR 290 Ca 0.17 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 2min s THR 290 Cb -0.03 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 2min s THR 290 CO 0.07 0.35 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.64 2min s VAL 291 N 0.51 4.12 -0.34 3.82 1.01 0.37 -4.28 120.40 125.62 2min s VAL 291 Ca -0.12 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 2min s VAL 291 Cb -0.14 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2min s VAL 291 CO 0.03 0.50 0.21 -0.76 0.00 0.00 0.00 175.10 175.08 2min s LEU 292 N 0.22 4.42 0.34 3.92 1.43 -1.26 -1.45 118.68 126.31 2min s LEU 292 Ca -0.01 -0.54 0.14 0.00 -1.03 0.00 0.00 54.13 52.70 2min s LEU 292 Cb -0.13 -2.08 0.62 0.00 0.03 0.00 0.00 46.19 44.62 2min s LEU 292 CO 0.02 -0.25 1.74 -0.07 0.23 0.00 0.00 176.35 178.03 2min h LEU 293 N 8.44 0.00 -6.37 1.79 3.38 -1.20 -3.33 115.31 118.01 2min h LEU 293 Ca -0.31 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.07 2min h LEU 293 Cb 1.15 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.49 2min h LEU 293 CO 0.64 0.45 -0.76 0.00 0.09 0.00 0.00 178.44 178.86 2min n GLN 294 N -3.83 1.64 -0.21 1.13 6.02 -1.26 -3.91 117.38 116.97 2min n GLN 294 Ca -0.01 -4.10 -0.02 0.00 -0.01 0.00 0.00 57.00 52.86 2min n GLN 294 Cb 0.50 -1.94 0.19 0.00 1.02 0.00 0.00 30.24 30.00 2min n GLN 294 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2min h PRO 295 N 4.60 0.98 0.00 -1.09 0.13 -1.86 -2.69 132.00 132.07 2min h PRO 295 Ca 0.17 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2min h PRO 295 Cb 0.77 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2min h PRO 295 CO 0.66 0.76 0.00 0.91 -0.23 0.00 0.00 178.00 180.10 2min n TRP 296 N -4.34 0.00 -1.79 1.56 7.02 -1.26 -0.94 117.44 117.70 2min n TRP 296 Ca 0.07 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.60 2min n TRP 296 Cb 0.13 -0.30 0.12 0.00 -2.42 0.00 0.00 31.31 28.84 2min n TRP 296 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 2min n HIS 297 N -1.30 0.00 -2.22 -5.99 1.44 -1.02 -4.75 115.22 101.39 2min n HIS 297 Ca 0.04 -0.94 -0.12 0.00 -2.01 0.00 0.00 57.72 54.69 2min n HIS 297 Cb 0.07 -0.18 0.05 0.00 0.12 0.00 0.00 29.99 30.06 2min n HIS 297 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2min n LEU 298 N -0.60 3.51 -0.02 2.39 4.77 -0.11 -4.38 117.00 122.55 2min n LEU 298 Ca 0.12 -4.01 -0.12 0.00 -0.03 0.00 0.00 56.01 51.97 2min n LEU 298 Cb 0.80 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 2min n LEU 298 CO -0.02 1.63 0.80 -0.33 -1.33 0.00 0.00 177.39 178.14 2min h GLU 299 N 2.08 0.16 -0.50 3.23 4.39 -1.86 -0.76 114.58 121.32 2min h GLU 299 Ca 0.15 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 2min h GLU 299 Cb 1.42 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.03 2min h GLU 299 CO 0.47 0.31 0.17 -0.22 -1.16 0.00 0.00 179.01 178.58 2min h LYS 300 N -0.03 0.78 -0.29 2.33 3.64 -1.91 -2.12 116.57 118.97 2min h LYS 300 Ca 0.03 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2min h LYS 300 Cb 0.22 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2min h LYS 300 CO -0.00 0.72 0.16 1.15 -2.27 0.00 0.00 179.45 179.20 2min h THR 301 N 0.68 1.01 -0.43 1.00 2.02 -1.80 -2.27 112.91 113.13 2min h THR 301 Ca 0.16 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.28 2min h THR 301 Cb 0.26 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 2min h THR 301 CO -0.01 0.06 0.17 0.50 0.37 0.00 0.00 175.52 176.62 2min h LYS 302 N 0.33 0.35 -0.37 6.66 3.64 -0.76 0.35 116.57 126.76 2min h LYS 302 Ca 0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2min h LYS 302 Cb 0.01 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2min h LYS 302 CO -0.07 0.23 0.21 0.87 -2.27 0.00 0.00 179.45 178.42 2min h LYS 303 N 0.36 0.51 0.10 1.90 1.57 -1.15 -0.89 116.57 118.97 2min h LYS 303 Ca 0.19 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.74 2min h LYS 303 Cb 0.15 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.38 2min h LYS 303 CO -0.18 0.37 -0.82 0.35 -0.57 0.00 0.00 179.45 178.60 2min h PHE 304 N 0.51 0.63 -0.96 -1.35 3.57 -0.71 -0.49 116.94 118.15 2min h PHE 304 Ca 0.13 -0.42 0.00 0.00 3.53 0.00 0.00 57.97 61.22 2min h PHE 304 Cb 0.01 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 2min h PHE 304 CO 0.00 1.29 0.60 0.28 -2.23 0.00 0.00 178.31 178.26 2min h VAL 305 N -0.20 1.26 0.01 1.41 2.07 -0.72 0.76 116.25 120.84 2min h VAL 305 Ca -0.13 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2min h VAL 305 Cb 1.59 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2min h VAL 305 CO 0.16 0.26 -0.05 -0.33 0.02 0.00 0.00 177.57 177.63 2min h GLU 306 N 1.32 0.02 -0.48 1.57 5.08 -1.24 -1.87 114.58 118.98 2min h GLU 306 Ca 0.35 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 2min h GLU 306 Cb -0.10 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2min h GLU 306 CO -0.07 0.95 -0.04 0.78 -1.00 0.00 0.00 179.01 179.63 2min h GLY 307 N -0.88 0.94 0.00 -3.84 0.00 -1.04 -2.20 103.07 96.05 2min h GLY 307 Ca -0.01 -0.73 -0.38 0.00 0.00 0.00 0.00 47.33 46.22 2min h GLY 307 CO 0.01 0.67 -2.34 2.41 0.00 0.00 0.00 176.54 177.28 2min n THR 308 N -4.30 1.33 1.13 4.70 -1.04 0.25 -4.48 114.28 111.86 2min n THR 308 Ca 0.00 -0.42 0.14 0.00 -2.04 0.00 0.00 64.05 61.73 2min n THR 308 Cb 0.34 -1.58 0.52 0.00 -1.82 0.00 0.00 70.33 67.80 2min n THR 308 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2min n TRP 309 N -3.64 0.00 -2.96 -1.42 8.01 -0.98 -4.94 117.44 111.50 2min n TRP 309 Ca -0.45 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.53 2min n TRP 309 Cb 0.89 -0.34 0.02 0.00 -2.01 0.00 0.00 31.31 29.87 2min n TRP 309 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2min n LYS 310 N -1.35 -3.97 -3.23 -0.99 4.76 -0.75 -4.90 118.16 107.73 2min n LYS 310 Ca 0.09 0.81 -0.39 0.00 -2.87 0.00 0.00 58.31 55.95 2min n LYS 310 Cb 0.32 -5.60 -0.06 0.00 -1.84 0.00 0.00 35.03 27.85 2min n LYS 310 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2min s HIS 311 N -3.07 3.66 -0.94 2.13 3.76 -0.92 -4.97 115.29 114.95 2min s HIS 311 Ca 0.26 1.16 -0.18 0.00 -0.15 0.00 0.00 55.06 56.15 2min s HIS 311 Cb -0.12 -2.59 0.15 0.00 1.11 0.00 0.00 32.58 31.12 2min s HIS 311 CO 0.32 0.34 1.10 -1.83 -0.85 0.00 0.00 174.74 173.82 2min s GLU 312 N -0.12 3.64 -0.23 1.40 -1.05 -1.26 -4.16 118.70 116.92 2min s GLU 312 Ca 0.30 -1.91 -0.35 0.00 -0.15 0.00 0.00 54.97 52.86 2min s GLU 312 Cb -0.18 -4.86 -0.12 0.00 -0.44 0.00 0.00 34.13 28.53 2min s GLU 312 CO 0.16 -1.71 1.99 0.28 0.95 0.00 0.00 175.26 176.94 2min n VAL 313 N 5.23 0.38 -1.81 1.83 0.31 -1.26 -4.87 118.33 118.13 2min n VAL 313 Ca 0.24 -0.18 -0.38 0.00 -0.01 0.00 0.00 64.34 64.01 2min n VAL 313 Cb 0.48 -1.73 0.04 0.00 -0.91 0.00 0.00 33.84 31.72 2min n VAL 313 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2min s PRO 314 N 4.92 3.18 -0.87 5.55 0.02 -1.26 -4.90 135.00 141.64 2min s PRO 314 Ca 1.00 2.21 -0.21 0.00 0.02 0.00 0.00 61.00 64.02 2min s PRO 314 Cb -0.79 -2.27 0.09 0.00 0.02 0.00 0.00 34.50 31.55 2min s PRO 314 CO 0.52 -1.15 1.16 0.21 -0.33 0.00 0.00 177.00 177.41 2min s LYS 315 N -2.90 3.45 0.00 5.54 2.47 -1.26 -4.85 119.74 122.20 2min s LYS 315 Ca 0.71 -1.32 0.07 0.00 -1.56 0.00 0.00 55.97 53.87 2min s LYS 315 Cb -0.40 -4.79 -0.02 0.00 -1.46 0.00 0.00 37.83 31.16 2min s LYS 315 CO 0.47 -1.89 -0.21 -0.51 0.16 0.00 0.00 175.35 173.37 2min s LEU 316 N 3.65 2.08 0.71 5.43 1.43 -1.26 -5.12 118.68 125.60 2min s LEU 316 Ca 0.33 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 2min s LEU 316 Cb -0.07 -1.05 0.03 0.00 0.03 0.00 0.00 46.19 45.14 2min s LEU 316 CO -0.03 0.23 1.07 0.20 0.23 0.00 0.00 176.35 178.05 2min s ASN 317 N -0.69 5.17 0.16 2.29 -0.87 -1.26 -4.76 114.94 114.98 2min s ASN 317 Ca 0.08 0.90 -0.34 0.00 -1.57 0.00 0.00 52.86 51.93 2min s ASN 317 Cb -0.08 -1.64 -0.15 0.00 -0.02 0.00 0.00 41.25 39.36 2min s ASN 317 CO -0.00 -1.46 1.42 0.00 -2.57 0.00 0.00 177.10 174.49 2min n ILE 318 N -3.00 0.33 -1.22 0.60 3.06 -1.25 -4.80 119.36 113.08 2min n ILE 318 Ca 0.07 -0.08 -0.43 0.00 -2.50 0.00 0.00 62.75 59.81 2min n ILE 318 Cb 0.59 -1.24 -0.05 0.00 0.54 0.00 0.00 39.64 39.48 2min n ILE 318 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 2min n PRO 319 N 2.64 1.71 -5.10 9.51 -0.04 -1.26 -4.78 135.00 137.69 2min n PRO 319 Ca 0.16 -1.94 -0.30 0.00 -0.04 0.00 0.00 63.50 61.38 2min n PRO 319 Cb 0.26 -2.95 -0.15 0.00 -0.04 0.00 0.00 33.50 30.62 2min n PRO 319 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2min s MET 320 N 4.69 1.91 0.02 0.54 -1.94 -1.26 -0.84 119.30 122.42 2min s MET 320 Ca 0.55 -0.97 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 2min s MET 320 Cb 0.14 -1.93 0.00 0.00 2.01 0.00 0.00 34.83 35.05 2min s MET 320 CO 0.08 0.52 0.00 0.41 -0.01 0.00 0.00 175.02 176.02 2min n GLY 321 N 2.19 -1.48 0.21 -0.03 0.00 -1.26 -4.09 105.19 100.73 2min n GLY 321 Ca -0.16 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 2min n GLY 321 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2min h LEU 322 N -0.09 -0.43 -0.85 0.99 5.85 -1.94 -2.35 115.31 116.50 2min h LEU 322 Ca 0.00 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2min h LEU 322 Cb 0.09 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2min h LEU 322 CO 0.00 -0.20 0.52 0.44 -0.34 0.00 0.00 178.44 178.86 2min h ASP 323 N -0.71 0.79 1.83 1.25 3.32 -1.98 -1.32 116.42 119.60 2min h ASP 323 Ca -0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2min h ASP 323 Cb 0.39 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2min h ASP 323 CO 0.08 0.49 0.00 -0.50 -1.72 0.00 0.00 179.24 177.60 2min h TRP 324 N 0.92 0.00 0.08 4.55 6.55 -1.71 -0.96 115.95 125.38 2min h TRP 324 Ca 0.38 0.00 -0.25 0.00 0.95 0.00 0.00 58.89 59.97 2min h TRP 324 Cb 0.23 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 2min h TRP 324 CO -0.04 0.00 -1.12 1.15 -1.05 0.00 0.00 178.44 177.39 2min h THR 325 N 0.00 1.46 0.37 1.49 2.02 -0.80 -2.56 112.91 114.89 2min h THR 325 Ca 0.00 -2.81 -0.02 0.00 0.77 0.00 0.00 66.41 64.36 2min h THR 325 Cb 0.91 2.73 -0.00 0.00 -1.74 0.00 0.00 68.15 70.05 2min h THR 325 CO 0.00 0.83 -0.20 0.44 0.37 0.00 0.00 175.52 176.96 2min h ASP 326 N 0.13 -0.48 -0.49 4.18 3.32 -1.03 -0.90 116.42 121.16 2min h ASP 326 Ca -0.11 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.04 2min h ASP 326 Cb 1.80 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 41.42 2min h ASP 326 CO 0.19 -0.33 0.10 -0.33 -1.72 0.00 0.00 179.24 177.15 2min h GLU 327 N -0.53 0.22 -0.33 3.56 5.08 -1.25 -0.68 114.58 120.66 2min h GLU 327 Ca -0.04 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2min h GLU 327 Cb 0.42 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 2min h GLU 327 CO 0.06 0.15 0.03 0.35 -1.00 0.00 0.00 179.01 178.60 2min h PHE 328 N 0.23 0.04 -0.44 4.33 3.57 -1.22 -0.13 116.94 123.32 2min h PHE 328 Ca 0.24 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.62 2min h PHE 328 Cb 0.32 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2min h PHE 328 CO -0.23 -0.03 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.48 2min h LEU 329 N 0.13 0.99 -0.81 0.59 3.38 -0.51 -1.72 115.31 117.35 2min h LEU 329 Ca 0.16 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 2min h LEU 329 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2min h LEU 329 CO -0.24 1.19 0.03 0.24 0.09 0.00 0.00 178.44 179.75 2min h MET 330 N 0.80 0.92 -0.44 1.13 2.86 -0.82 -1.00 114.93 118.39 2min h MET 330 Ca 0.09 -0.25 -0.12 0.00 -2.06 0.00 0.00 59.70 57.35 2min h MET 330 Cb 0.86 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 2min h MET 330 CO 0.08 0.90 -0.21 -0.22 1.06 0.00 0.00 176.91 178.52 2min h LYS 331 N 0.86 0.93 -0.77 1.72 1.63 -0.85 -0.83 116.57 119.26 2min h LYS 331 Ca 0.17 -0.40 -0.01 0.00 -0.85 0.00 0.00 60.65 59.55 2min h LYS 331 Cb 0.47 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.03 2min h LYS 331 CO 0.02 1.06 0.44 0.28 -3.45 0.00 0.00 179.45 177.80 2min h VAL 332 N 0.76 1.22 -0.59 2.00 2.07 -1.06 -0.98 116.25 119.68 2min h VAL 332 Ca 0.10 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2min h VAL 332 Cb 0.78 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2min h VAL 332 CO 0.06 0.24 0.33 -1.28 0.02 0.00 0.00 177.57 176.95 2min h SER 333 N 1.05 0.73 -0.07 0.57 0.87 -0.94 -0.11 113.55 115.66 2min h SER 333 Ca 0.27 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2min h SER 333 Cb 0.00 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2min h SER 333 CO -0.05 0.60 0.04 -0.08 -0.53 0.00 0.00 176.83 176.82 2min h GLU 334 N 0.80 0.09 -0.31 2.24 4.81 -0.58 0.23 114.58 121.85 2min h GLU 334 Ca 0.21 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 2min h GLU 334 Cb 0.03 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2min h GLU 334 CO -0.04 0.06 -0.15 0.82 -0.73 0.00 0.00 179.01 178.97 2min h ILE 335 N 0.09 1.29 0.00 2.32 2.04 -0.90 -3.28 117.51 119.07 2min h ILE 335 Ca 0.02 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.62 2min h ILE 335 Cb -0.01 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2min h ILE 335 CO -0.01 0.41 -0.89 0.77 0.00 0.00 0.00 178.15 178.43 2min h SER 336 N 0.42 0.00 -0.18 1.72 4.64 -0.98 -3.48 113.55 115.68 2min h SER 336 Ca 0.07 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 2min h SER 336 Cb 0.68 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.74 2min h SER 336 CO 0.05 0.00 -0.07 0.61 -0.87 0.00 0.00 176.83 176.55 2min n GLY 337 N 1.18 0.67 3.76 -0.77 0.00 0.81 -5.02 105.19 105.81 2min n GLY 337 Ca 0.00 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 2min n GLY 337 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2min s GLN 338 N -1.92 4.26 0.55 1.61 -1.52 -1.21 -5.05 119.66 116.38 2min s GLN 338 Ca 0.00 0.54 -0.21 0.00 -1.95 0.00 0.00 55.36 53.74 2min s GLN 338 Cb 0.00 -3.37 -0.05 0.00 -0.22 0.00 0.00 33.01 29.38 2min s GLN 338 CO 0.00 0.32 1.29 -2.14 -0.25 0.00 0.00 175.29 174.51 2min s PRO 339 N 0.05 3.19 -0.18 2.91 0.02 -1.26 -4.43 135.00 135.30 2min s PRO 339 Ca 0.27 2.05 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 2min s PRO 339 Cb -0.16 -2.19 -0.02 0.00 0.02 0.00 0.00 34.50 32.14 2min s PRO 339 CO 0.13 -1.10 1.40 0.42 -0.33 0.00 0.00 177.00 177.52 2min s ILE 340 N -1.41 4.04 0.73 2.83 1.01 -1.26 -4.85 121.20 122.28 2min s ILE 340 Ca 0.72 1.23 -0.11 0.00 0.00 0.00 0.00 60.65 62.49 2min s ILE 340 Cb -0.36 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.26 2min s ILE 340 CO 0.42 -0.20 1.07 -2.16 0.00 0.00 0.00 174.94 174.06 2min s PRO 341 N 3.89 2.66 0.40 2.79 0.04 -1.26 -4.85 135.00 138.67 2min s PRO 341 Ca 0.61 1.00 0.17 0.00 0.04 0.00 0.00 61.00 62.82 2min s PRO 341 Cb -0.24 -1.95 1.05 0.00 0.04 0.00 0.00 34.50 33.40 2min s PRO 341 CO 0.21 -1.31 1.82 0.00 0.04 0.00 0.00 177.00 177.76 2min h ALA 342 N -0.88 2.16 -0.29 8.56 0.00 -1.96 -1.05 119.26 125.81 2min h ALA 342 Ca -0.44 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.52 2min h ALA 342 Cb 1.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2min h ALA 342 CO 0.55 -0.50 0.18 0.66 0.00 0.00 0.00 179.25 180.14 2min h SER 343 N 0.44 0.31 -0.14 0.00 4.64 -1.97 -1.58 113.55 115.25 2min h SER 343 Ca 0.53 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.69 2min h SER 343 Cb 1.27 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2min h SER 343 CO -0.24 0.22 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.44 2min h LEU 344 N 0.37 0.74 -0.95 5.97 3.38 -1.57 -1.16 115.31 122.09 2min h LEU 344 Ca 0.11 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2min h LEU 344 Cb -0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2min h LEU 344 CO -0.04 1.07 0.42 0.74 0.09 0.00 0.00 178.44 180.73 2min h THR 345 N 0.56 1.25 -0.23 0.22 2.02 -1.23 -1.20 112.91 114.30 2min h THR 345 Ca 0.04 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 2min h THR 345 Cb 0.98 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2min h THR 345 CO 0.09 0.29 -0.03 0.50 0.37 0.00 0.00 175.52 176.74 2min h LYS 346 N 1.16 0.42 -0.98 6.66 3.64 -1.10 -1.50 116.57 124.87 2min h LYS 346 Ca 0.29 -0.15 0.11 0.00 -1.27 0.00 0.00 60.65 59.62 2min h LYS 346 Cb 0.08 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.79 2min h LYS 346 CO -0.04 0.64 0.61 1.49 -2.27 0.00 0.00 179.45 179.88 2min h GLU 347 N 0.17 0.98 -0.10 1.90 4.81 -0.93 0.14 114.58 121.55 2min h GLU 347 Ca 0.06 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2min h GLU 347 Cb 0.47 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 2min h GLU 347 CO 0.02 0.65 0.06 -0.09 -0.73 0.00 0.00 179.01 178.91 2min h ARG 348 N 1.01 0.14 -0.05 1.92 2.43 -1.01 -2.00 114.38 116.83 2min h ARG 348 Ca 0.47 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.58 2min h ARG 348 Cb 0.40 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2min h ARG 348 CO -0.24 0.16 -0.18 0.78 -1.51 0.00 0.00 179.97 178.98 2min h GLY 349 N 0.08 0.08 1.67 2.80 0.00 0.01 -1.62 103.07 106.09 2min h GLY 349 Ca 0.04 -0.04 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 2min h GLY 349 CO -0.01 0.04 -0.68 3.21 0.00 0.00 0.00 176.54 179.10 2min h ARG 350 N 0.07 0.33 -0.24 4.80 3.08 -0.47 0.91 114.38 122.86 2min h ARG 350 Ca 0.01 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 2min h ARG 350 Cb 0.36 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2min h ARG 350 CO 0.02 0.89 0.02 1.25 -1.07 0.00 0.00 179.97 181.08 2min h LEU 351 N 0.23 0.40 -1.29 3.04 5.85 -0.62 -1.17 115.31 121.76 2min h LEU 351 Ca -0.02 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 2min h LEU 351 Cb 1.23 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 2min h LEU 351 CO 0.11 0.59 0.29 0.58 -0.34 0.00 0.00 178.44 179.68 2min h VAL 352 N 0.20 1.18 -0.51 1.05 2.07 -1.16 -0.64 116.25 118.43 2min h VAL 352 Ca 0.07 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 2min h VAL 352 Cb 0.38 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2min h VAL 352 CO 0.01 0.20 -0.06 -0.78 0.02 0.00 0.00 177.57 176.97 2min h ASP 353 N 0.79 0.88 -0.64 0.57 3.58 -0.48 -1.60 116.42 119.53 2min h ASP 353 Ca 0.20 -0.26 -0.06 0.00 0.42 0.00 0.00 57.03 57.33 2min h ASP 353 Cb 0.05 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 2min h ASP 353 CO -0.03 0.98 0.16 0.24 -2.88 0.00 0.00 179.24 177.71 2min h MET 354 N 0.82 1.04 -0.60 0.28 2.86 0.09 -2.31 114.93 117.11 2min h MET 354 Ca 0.14 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2min h MET 354 Cb 0.57 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 2min h MET 354 CO 0.03 0.92 0.25 0.52 1.06 0.00 0.00 176.91 179.69 2min h MET 355 N 0.99 0.89 -0.34 1.72 2.86 -0.83 -1.93 114.93 118.28 2min h MET 355 Ca 0.21 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 2min h MET 355 Cb 0.34 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2min h MET 355 CO 0.00 0.75 -0.07 1.79 1.06 0.00 0.00 176.91 180.43 2min h THR 356 N 0.83 1.23 -0.36 2.22 1.35 -1.14 -1.36 112.91 115.66 2min h THR 356 Ca 0.20 -0.97 -0.12 0.00 -0.55 0.00 0.00 66.41 64.97 2min h THR 356 Cb 0.18 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 2min h THR 356 CO -0.02 0.33 -0.27 0.44 -0.25 0.00 0.00 175.52 175.75 2min h ASP 357 N 0.53 0.77 -0.02 5.36 3.32 -1.15 -3.32 116.42 121.90 2min h ASP 357 Ca 0.10 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2min h ASP 357 Cb 0.45 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2min h ASP 357 CO 0.02 1.00 -0.12 -1.20 -1.72 0.00 0.00 179.24 177.22 2min n SER 358 N -4.09 2.51 0.13 6.45 7.64 -0.75 -4.70 113.62 120.80 2min n SER 358 Ca -0.00 -1.75 0.08 0.00 1.01 0.00 0.00 58.87 58.20 2min n SER 358 Cb 0.46 0.14 0.56 0.00 -1.01 0.00 0.00 64.21 64.36 2min n SER 358 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2min h HIS 359 N 3.58 0.20 0.00 1.43 2.07 -1.35 -2.77 115.15 118.31 2min h HIS 359 Ca 0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.44 2min h HIS 359 Cb 0.82 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 30.72 2min h HIS 359 CO 0.00 0.12 -0.42 1.79 -3.07 0.00 0.00 177.93 176.35 2min h THR 360 N 0.21 0.97 0.00 6.12 1.35 -1.86 -1.12 112.91 118.59 2min h THR 360 Ca 0.08 -1.65 -0.15 0.00 -0.55 0.00 0.00 66.41 64.14 2min h THR 360 Cb 0.07 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 2min h THR 360 CO -0.02 0.41 -1.06 -0.50 -0.25 0.00 0.00 175.52 174.11 2min h TRP 361 N 0.00 0.00 0.00 4.73 4.06 -1.85 -3.34 115.95 119.55 2min h TRP 361 Ca -0.00 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.71 2min h TRP 361 Cb 0.95 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.08 2min h TRP 361 CO 0.00 0.58 -1.30 -0.07 -3.56 0.00 0.00 178.44 174.09 2min h LEU 362 N 0.00 0.00 -9.27 -4.49 3.38 -1.39 -3.45 115.31 100.09 2min h LEU 362 Ca -0.10 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.24 2min h LEU 362 Cb 1.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.30 2min h LEU 362 CO 0.06 0.94 1.06 1.57 0.09 0.00 0.00 178.44 182.17 2min n HIS 363 N -3.18 2.29 -0.98 1.13 -0.00 -0.44 -1.48 115.22 112.57 2min n HIS 363 Ca -0.08 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2min n HIS 363 Cb 0.97 -2.64 0.00 0.00 -0.12 0.00 0.00 29.99 28.20 2min n HIS 363 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2min n GLY 364 N 4.33 0.53 3.75 1.57 0.00 0.42 -4.99 105.19 110.80 2min n GLY 364 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2min n GLY 364 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2min s LYS 365 N -0.30 4.40 -0.19 1.61 -0.14 -0.55 -4.63 119.74 119.94 2min s LYS 365 Ca 0.00 2.09 -0.11 0.00 -1.36 0.00 0.00 55.97 56.59 2min s LYS 365 Cb 0.00 -3.16 -0.05 0.00 -1.68 0.00 0.00 37.83 32.94 2min s LYS 365 CO 0.00 -0.20 0.17 1.03 -0.76 0.00 0.00 175.35 175.59 2min s ARG 366 N -0.69 4.20 0.02 1.68 0.52 -1.26 -0.84 118.95 122.57 2min s ARG 366 Ca 0.54 -0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.65 2min s ARG 366 Cb -0.37 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 2min s ARG 366 CO 0.43 0.28 -0.17 -0.06 0.02 0.00 0.00 175.30 175.80 2min s PHE 367 N 0.42 1.46 -0.11 -0.53 0.40 -0.36 -0.39 117.98 118.86 2min s PHE 367 Ca 0.10 -0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 56.08 2min s PHE 367 Cb -0.12 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.48 2min s PHE 367 CO -0.00 0.02 0.02 0.00 0.70 0.00 0.00 175.22 175.96 2min s ALA 368 N -0.61 3.36 0.09 5.36 0.00 -0.56 -1.43 121.76 127.97 2min s ALA 368 Ca 0.05 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 2min s ALA 368 Cb -0.07 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.46 2min s ALA 368 CO 0.00 0.51 0.32 -0.48 0.00 0.00 0.00 175.76 176.11 2min s LEU 369 N -0.64 0.79 0.25 0.00 -0.00 0.24 -0.71 118.68 118.62 2min s LEU 369 Ca 0.11 -0.37 -0.10 0.00 -0.00 0.00 0.00 54.13 53.77 2min s LEU 369 Cb -0.12 1.51 -0.01 0.00 -0.00 0.00 0.00 46.19 47.57 2min s LEU 369 CO 0.02 -0.76 0.44 -1.66 -0.00 0.00 0.00 176.35 174.39 2min s TRP 370 N -3.49 0.55 -5.00 3.48 -2.14 -1.14 -1.03 118.94 110.16 2min s TRP 370 Ca 0.01 -0.88 0.00 0.00 2.66 0.00 0.00 56.10 57.89 2min s TRP 370 Cb 0.02 0.07 0.00 0.00 -3.10 0.00 0.00 33.47 30.46 2min s TRP 370 CO -0.09 -0.97 0.00 0.41 -2.66 0.00 0.00 176.95 173.63 2min n GLY 371 N -0.39 0.49 3.79 3.67 0.00 -1.22 -4.76 105.19 106.76 2min n GLY 371 Ca -0.01 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 2min n GLY 371 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2min s ASP 372 N -4.00 5.11 0.20 1.61 1.01 -1.26 -4.53 116.67 114.81 2min s ASP 372 Ca 0.00 1.80 -0.14 0.00 0.71 0.00 0.00 52.55 54.92 2min s ASP 372 Cb 0.00 -2.52 0.21 0.00 1.01 0.00 0.00 42.92 41.62 2min s ASP 372 CO 0.00 -1.63 1.64 -0.65 0.21 0.00 0.00 175.17 174.74 2min h PRO 373 N -0.48 0.01 -0.06 8.23 0.11 -1.95 -1.36 132.00 136.49 2min h PRO 373 Ca -0.45 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 2min h PRO 373 Cb 1.23 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2min h PRO 373 CO 0.54 0.00 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.74 2min h ASP 374 N 0.01 0.25 -0.65 -2.05 3.32 -1.93 -2.23 116.42 113.13 2min h ASP 374 Ca 0.28 -0.60 0.07 0.00 0.02 0.00 0.00 57.03 56.81 2min h ASP 374 Cb 0.43 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 2min h ASP 374 CO -0.59 0.80 0.33 0.15 -1.72 0.00 0.00 179.24 178.21 2min h PHE 375 N -0.29 0.60 -0.16 4.55 3.57 -1.89 -2.27 116.94 121.05 2min h PHE 375 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2min h PHE 375 Cb 0.77 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2min h PHE 375 CO 0.12 0.26 0.03 0.28 -2.23 0.00 0.00 178.31 176.77 2min h VAL 376 N 0.60 1.22 -0.20 1.41 2.07 -1.19 -1.08 116.25 119.08 2min h VAL 376 Ca 0.30 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 2min h VAL 376 Cb 0.25 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2min h VAL 376 CO -0.22 0.21 -0.14 0.00 0.02 0.00 0.00 177.57 177.44 2min h MET 377 N 0.05 0.32 -0.47 1.57 -0.00 -1.26 0.04 114.93 115.19 2min h MET 377 Ca 0.05 -0.08 -0.14 0.00 -0.00 0.00 0.00 59.70 59.53 2min h MET 377 Cb 0.29 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.84 2min h MET 377 CO 0.00 0.46 -0.24 0.78 -0.00 0.00 0.00 176.91 177.92 2min h GLY 378 N 0.83 1.07 1.05 -3.00 0.00 -1.18 0.20 103.07 102.04 2min h GLY 378 Ca 0.06 -0.96 -0.10 0.00 0.00 0.00 0.00 47.33 46.33 2min h GLY 378 CO 0.03 0.87 -0.07 -2.00 0.00 0.00 0.00 176.54 175.37 2min h LEU 379 N 0.84 0.95 -0.39 3.11 6.46 -0.66 -0.32 115.31 125.31 2min h LEU 379 Ca 0.10 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 2min h LEU 379 Cb 0.82 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 2min h LEU 379 CO 0.07 1.07 0.22 0.58 -0.62 0.00 0.00 178.44 179.75 2min h VAL 380 N 0.82 1.14 -0.38 1.05 2.07 -0.73 0.62 116.25 120.83 2min h VAL 380 Ca 0.14 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2min h VAL 380 Cb 0.62 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2min h VAL 380 CO 0.04 0.15 0.22 0.50 0.02 0.00 0.00 177.57 178.49 2min h LYS 381 N 0.50 0.53 -0.48 1.57 1.63 -0.71 -0.74 116.57 118.87 2min h LYS 381 Ca 0.14 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.78 2min h LYS 381 Cb 0.04 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 2min h LYS 381 CO -0.02 0.42 -0.09 0.35 -3.45 0.00 0.00 179.45 176.66 2min h PHE 382 N 0.50 1.02 -0.89 1.91 3.57 -0.87 -1.84 116.94 120.33 2min h PHE 382 Ca 0.14 -0.21 0.03 0.00 3.53 0.00 0.00 57.97 61.46 2min h PHE 382 Cb 0.04 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.48 2min h PHE 382 CO -0.03 0.98 0.58 -0.07 -2.23 0.00 0.00 178.31 177.54 2min h LEU 383 N 0.76 0.97 -0.69 0.59 3.38 -0.32 -1.18 115.31 118.81 2min h LEU 383 Ca 0.12 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2min h LEU 383 Cb 0.64 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2min h LEU 383 CO 0.04 0.67 0.21 -0.07 0.09 0.00 0.00 178.44 179.38 2min h LEU 384 N 1.13 1.01 -1.77 1.67 3.38 -0.88 -0.49 115.31 119.36 2min h LEU 384 Ca 0.35 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2min h LEU 384 Cb -0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2min h LEU 384 CO -0.12 0.96 -0.12 -0.33 0.09 0.00 0.00 178.44 178.92 2min h GLU 385 N 1.01 0.00 -0.00 1.13 5.08 -0.55 -0.24 114.58 121.02 2min h GLU 385 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2min h GLU 385 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2min h GLU 385 CO -0.01 0.12 -0.07 1.28 -1.00 0.00 0.00 179.01 179.33 2min n LEU 386 N -4.36 0.26 -0.15 1.33 4.77 -0.52 -4.92 117.00 113.40 2min n LEU 386 Ca -0.03 0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.07 2min n LEU 386 Cb 0.19 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2min n LEU 386 CO 0.35 0.05 -0.02 0.61 -1.33 0.00 0.00 177.39 177.05 2min n GLY 387 N 1.29 0.38 3.97 -0.72 0.00 -0.10 -4.40 105.19 105.61 2min n GLY 387 Ca 0.14 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 2min n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2min s GLU 389 N -4.10 2.82 -1.34 0.00 2.02 -0.02 -4.12 118.70 113.96 2min s GLU 389 Ca 0.42 -1.01 -0.14 0.00 0.02 0.00 0.00 54.97 54.26 2min s GLU 389 Cb -0.09 -3.19 0.09 0.00 0.10 0.00 0.00 34.13 31.04 2min s GLU 389 CO 0.30 -0.48 1.92 -2.30 0.02 0.00 0.00 175.26 174.72 2min n PRO 390 N 4.74 3.18 -0.29 0.39 -0.02 -1.26 -1.23 135.00 140.51 2min n PRO 390 Ca -0.15 -3.15 -0.06 0.00 -2.02 0.00 0.00 63.50 58.12 2min n PRO 390 Cb 0.46 -3.23 0.06 0.00 -0.02 0.00 0.00 33.50 30.78 2min n PRO 390 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2min h VAL 391 N 4.44 1.26 -3.45 -1.45 2.07 -1.50 -3.40 116.25 114.22 2min h VAL 391 Ca 0.47 -0.83 -0.58 0.00 0.82 0.00 0.00 66.70 66.58 2min h VAL 391 Cb 0.73 0.31 -0.38 0.00 -1.52 0.00 0.00 31.29 30.43 2min h VAL 391 CO 1.63 0.34 -0.79 -1.00 0.02 0.00 0.00 177.57 177.77 2min s HIS 392 N -5.55 2.04 -0.30 1.57 3.76 -1.08 -2.16 115.29 113.57 2min s HIS 392 Ca -0.12 -1.41 -0.04 0.00 -0.15 0.00 0.00 55.06 53.34 2min s HIS 392 Cb 0.16 -1.45 0.04 0.00 1.11 0.00 0.00 32.58 32.43 2min s HIS 392 CO 0.84 -0.70 0.03 0.42 -0.85 0.00 0.00 174.74 174.48 2min s ILE 393 N 1.52 3.35 -0.08 0.60 1.01 -0.93 -0.59 121.20 126.07 2min s ILE 393 Ca -0.02 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 59.52 2min s ILE 393 Cb -0.17 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 2min s ILE 393 CO -0.07 -0.04 -0.19 -0.22 0.00 0.00 0.00 174.94 174.41 2min s LEU 394 N 1.35 2.40 -0.25 2.97 0.20 -0.19 0.05 118.68 125.21 2min s LEU 394 Ca -0.02 -0.40 -0.04 0.00 0.69 0.00 0.00 54.13 54.36 2min s LEU 394 Cb -0.19 -1.49 0.09 0.00 -0.43 0.00 0.00 46.19 44.17 2min s LEU 394 CO 0.00 0.23 0.11 0.00 -0.29 0.00 0.00 176.35 176.40 2min h HIS 396 N 8.36 1.23 -0.73 0.00 2.76 -1.77 -2.85 115.15 122.15 2min h HIS 396 Ca -0.18 0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 57.80 2min h HIS 396 Cb 1.06 -0.41 -0.13 0.00 1.55 0.00 0.00 27.41 29.47 2min h HIS 396 CO 0.26 0.75 0.27 0.27 -1.30 0.00 0.00 177.93 178.18 2min n ASN 397 N -4.41 4.69 -4.91 3.26 6.94 -1.26 -2.73 115.26 116.85 2min n ASN 397 Ca 0.12 -3.26 -0.28 0.00 -0.02 0.00 0.00 54.58 51.15 2min n ASN 397 Cb 0.05 -0.74 0.07 0.00 -2.36 0.00 0.00 39.78 36.79 2min n ASN 397 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2min s GLY 398 N -1.14 1.63 0.38 4.83 0.00 -1.09 -4.82 107.32 107.11 2min s GLY 398 Ca 0.55 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.62 2min s GLY 398 CO 0.13 -0.28 0.06 0.54 0.00 0.00 0.00 173.10 173.55 2min s ASN 399 N -4.48 2.90 0.28 1.64 2.20 -1.26 -4.60 114.94 111.63 2min s ASN 399 Ca 0.59 -1.48 0.01 0.00 -0.94 0.00 0.00 52.86 51.04 2min s ASN 399 Cb -0.11 0.08 0.55 0.00 -2.00 0.00 0.00 41.25 39.77 2min s ASN 399 CO 0.48 -0.69 1.82 0.11 -2.94 0.00 0.00 177.10 175.87 2min h LYS 400 N 1.89 0.88 -0.11 3.55 1.57 -1.99 -1.64 116.57 120.72 2min h LYS 400 Ca -0.40 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.14 2min h LYS 400 Cb 1.26 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 2min h LYS 400 CO 0.69 0.58 -0.68 0.00 -0.57 0.00 0.00 179.45 179.47 2min h ARG 401 N 0.91 0.47 -0.43 3.15 3.08 -1.99 -2.18 114.38 117.39 2min h ARG 401 Ca 0.49 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 2min h ARG 401 Cb 0.52 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2min h ARG 401 CO -0.28 0.98 0.17 2.35 -1.07 0.00 0.00 179.97 182.11 2min h TRP 402 N 0.33 0.66 -0.59 3.04 7.01 -1.90 -1.71 115.95 122.79 2min h TRP 402 Ca -0.02 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 2min h TRP 402 Cb 1.25 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 28.08 2min h TRP 402 CO 0.05 0.57 0.33 -0.22 -2.79 0.00 0.00 178.44 176.38 2min h LYS 403 N 0.55 0.80 -0.37 2.65 3.64 -1.12 -0.47 116.57 122.24 2min h LYS 403 Ca 0.14 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2min h LYS 403 Cb 0.20 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2min h LYS 403 CO -0.01 0.59 0.14 -0.22 -2.27 0.00 0.00 179.45 177.67 2min h LYS 404 N 0.82 0.56 -0.34 1.90 1.63 -1.09 -0.21 116.57 119.84 2min h LYS 404 Ca 0.21 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2min h LYS 404 Cb 0.01 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 2min h LYS 404 CO -0.04 0.56 0.21 0.00 -3.45 0.00 0.00 179.45 176.73 2min h ALA 405 N 0.98 0.43 -0.44 5.00 0.00 -0.37 -1.74 119.26 123.13 2min h ALA 405 Ca 0.12 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2min h ALA 405 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2min h ALA 405 CO -0.01 -0.08 -0.22 0.28 0.00 0.00 0.00 179.25 179.23 2min h VAL 406 N 0.44 1.27 -0.14 0.00 2.07 -0.97 -1.55 116.25 117.38 2min h VAL 406 Ca 0.12 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 2min h VAL 406 Cb -0.00 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2min h VAL 406 CO -0.02 0.47 -0.01 0.44 0.02 0.00 0.00 177.57 178.46 2min h ASP 407 N 0.75 0.18 -0.36 0.57 3.32 -0.91 0.13 116.42 120.09 2min h ASP 407 Ca 0.10 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 2min h ASP 407 Cb 0.79 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 2min h ASP 407 CO 0.06 0.22 -0.15 0.00 -1.72 0.00 0.00 179.24 177.65 2min h ALA 408 N 1.80 0.51 -0.62 3.45 0.00 -0.89 -0.34 119.26 123.17 2min h ALA 408 Ca 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2min h ALA 408 Cb 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2min h ALA 408 CO 0.00 0.42 0.37 0.82 0.00 0.00 0.00 179.25 180.87 2min h ILE 409 N 0.53 1.18 -0.47 0.00 2.04 -0.17 -2.61 117.51 118.01 2min h ILE 409 Ca 0.08 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 2min h ILE 409 Cb 0.69 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2min h ILE 409 CO 0.05 0.19 0.04 -0.07 0.00 0.00 0.00 178.15 178.36 2min h LEU 410 N 0.84 0.78 -2.29 1.44 3.38 -0.64 -2.77 115.31 116.05 2min h LEU 410 Ca 0.22 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2min h LEU 410 Cb -0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2min h LEU 410 CO -0.04 0.87 0.03 0.00 0.09 0.00 0.00 178.44 179.39 2min h ALA 411 N 0.94 1.72 0.00 1.53 0.00 -0.79 -1.57 119.26 121.10 2min h ALA 411 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2min h ALA 411 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2min h ALA 411 CO 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.22 2min n ALA 412 N -2.40 2.57 -2.70 0.00 0.00 -1.01 -4.82 120.51 112.15 2min n ALA 412 Ca -0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.06 2min n ALA 412 Cb 0.12 -1.48 -0.14 0.00 0.00 0.00 0.00 19.45 17.94 2min n ALA 412 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2min s SER 413 N -2.15 1.04 0.53 0.00 0.15 -0.59 -5.00 113.70 107.69 2min s SER 413 Ca 0.40 -0.21 0.26 0.00 0.70 0.00 0.00 55.95 57.11 2min s SER 413 Cb 0.20 -0.10 1.42 0.00 -1.71 0.00 0.00 66.02 65.83 2min s SER 413 CO 0.37 0.08 1.98 -0.65 1.20 0.00 0.00 173.24 176.22 2min h PRO 414 N 5.74 0.00 -0.00 5.44 0.11 -1.88 -1.04 132.00 140.38 2min h PRO 414 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2min h PRO 414 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2min h PRO 414 CO 0.49 0.00 -0.02 0.66 -0.21 0.00 0.00 178.00 178.92 2min n TYR 415 N -4.33 0.00 1.19 0.65 4.01 -1.26 -2.93 117.16 114.49 2min n TYR 415 Ca 0.11 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.97 2min n TYR 415 Cb 0.65 -0.30 0.26 0.00 -0.31 0.00 0.00 39.34 39.63 2min n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2min n GLY 416 N 1.31 -0.12 0.33 2.72 0.00 -0.39 -4.23 105.19 104.80 2min n GLY 416 Ca 0.13 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.76 2min n GLY 416 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2min h LYS 417 N 2.18 0.18 -0.29 1.61 6.56 -1.62 -2.14 116.57 123.04 2min h LYS 417 Ca 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2min h LYS 417 Cb 0.64 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.26 2min h LYS 417 CO 0.00 0.12 0.00 0.09 -2.06 0.00 0.00 179.45 177.60 2min n ASN 418 N -4.47 4.04 -4.89 0.86 3.02 -1.26 -5.00 115.26 107.56 2min n ASN 418 Ca 0.05 -2.98 -0.35 0.00 -0.03 0.00 0.00 54.58 51.27 2min n ASN 418 Cb 0.31 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 2min n ASN 418 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2min s ALA 419 N -2.77 3.90 -0.03 5.41 0.00 -0.81 -4.61 121.76 122.85 2min s ALA 419 Ca 0.43 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.74 2min s ALA 419 Cb 0.34 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.50 2min s ALA 419 CO 0.10 0.68 -0.05 0.99 0.00 0.00 0.00 175.76 177.49 2min s THR 420 N -1.26 0.46 -0.10 0.00 2.01 -0.92 -5.02 115.64 110.82 2min s THR 420 Ca 0.25 -0.15 -0.17 0.00 0.31 0.00 0.00 61.69 61.93 2min s THR 420 Cb -0.13 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 2min s THR 420 CO 0.15 0.18 0.44 -0.69 -0.69 0.00 0.00 174.62 174.01 2min s VAL 421 N 0.48 5.16 -0.14 3.82 1.01 -1.26 -2.20 120.40 127.28 2min s VAL 421 Ca -0.06 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.83 2min s VAL 421 Cb -0.09 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2min s VAL 421 CO -0.00 0.39 -0.22 -0.31 0.00 0.00 0.00 175.10 174.96 2min s TYR 422 N 0.23 2.66 0.06 5.22 2.02 0.11 -4.97 117.35 122.67 2min s TYR 422 Ca 0.24 -1.33 0.08 0.00 -0.37 0.00 0.00 57.07 55.69 2min s TYR 422 Cb -0.15 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 2min s TYR 422 CO 0.10 -0.60 -0.19 0.96 -1.57 0.00 0.00 175.55 174.25 2min s ILE 423 N 0.79 2.71 0.00 2.71 -4.36 -1.26 -0.94 121.20 120.85 2min s ILE 423 Ca -0.08 -1.30 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 2min s ILE 423 Cb -0.16 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.40 2min s ILE 423 CO -0.01 0.28 0.00 0.61 0.24 0.00 0.00 174.94 176.06 2min n GLY 424 N 1.39 1.83 3.92 6.27 0.00 -1.11 -4.97 105.19 112.53 2min n GLY 424 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2min n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2min s LYS 425 N -0.10 3.54 0.19 1.61 -0.14 -1.26 -4.95 119.74 118.64 2min s LYS 425 Ca 0.00 -0.24 0.00 0.00 -1.36 0.00 0.00 55.97 54.37 2min s LYS 425 Cb 0.00 -2.74 0.00 0.00 -1.68 0.00 0.00 37.83 33.42 2min s LYS 425 CO 0.00 0.28 0.04 -0.40 -0.76 0.00 0.00 175.35 174.51 2min n ASP 426 N -1.04 2.32 0.28 2.83 5.68 -1.26 -3.80 116.55 121.56 2min n ASP 426 Ca -0.04 -1.81 0.17 0.00 -0.50 0.00 0.00 54.79 52.61 2min n ASP 426 Cb 0.54 0.10 0.68 0.00 -1.14 0.00 0.00 41.12 41.30 2min n ASP 426 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2min h LEU 427 N 0.00 0.00 -0.20 -2.12 3.38 -1.17 -0.92 115.31 114.28 2min h LEU 427 Ca -0.15 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 2min h LEU 427 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2min h LEU 427 CO 0.25 0.01 -0.74 -0.25 0.09 0.00 0.00 178.44 177.80 2min h TRP 428 N 0.00 0.00 -0.29 1.13 2.91 -1.68 -0.86 115.95 117.15 2min h TRP 428 Ca -0.00 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 2min h TRP 428 Cb 0.52 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.16 2min h TRP 428 CO 0.00 0.74 0.03 0.45 -1.03 0.00 0.00 178.44 178.63 2min h HIS 429 N 0.00 0.53 -0.80 2.65 3.86 -1.49 -3.18 115.15 116.73 2min h HIS 429 Ca -0.01 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 2min h HIS 429 Cb 1.48 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.77 2min h HIS 429 CO 0.00 0.60 0.40 1.25 0.86 0.00 0.00 177.93 181.05 2min h LEU 430 N 0.31 1.03 -0.40 2.43 5.85 -0.99 -2.73 115.31 120.81 2min h LEU 430 Ca 0.09 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.78 2min h LEU 430 Cb 0.37 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 2min h LEU 430 CO 0.01 0.85 -0.24 -0.09 -0.34 0.00 0.00 178.44 178.63 2min h ARG 431 N 1.14 -0.16 -0.57 1.25 2.43 -1.16 -1.21 114.38 116.09 2min h ARG 431 Ca 0.28 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.51 2min h ARG 431 Cb 0.08 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2min h ARG 431 CO -0.04 -0.11 0.31 0.77 -1.51 0.00 0.00 179.97 179.39 2min h SER 432 N -0.17 0.46 0.07 -3.80 0.02 -1.47 -2.69 113.55 105.97 2min h SER 432 Ca 0.19 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2min h SER 432 Cb 0.47 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2min h SER 432 CO -0.50 0.31 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.30 2min h LEU 433 N 0.59 0.12 -0.14 5.07 3.38 -1.07 -0.49 115.31 122.77 2min h LEU 433 Ca 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2min h LEU 433 Cb 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2min h LEU 433 CO -0.16 0.27 -0.09 1.33 0.09 0.00 0.00 178.44 179.88 2min n VAL 434 N -4.32 0.00 -0.08 1.22 0.24 -0.62 -1.83 118.33 112.94 2min n VAL 434 Ca -0.01 -0.04 -0.23 0.00 -2.04 0.00 0.00 64.34 62.02 2min n VAL 434 Cb 0.24 -0.21 -0.12 0.00 -1.47 0.00 0.00 33.84 32.27 2min n VAL 434 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2min n PHE 435 N -1.11 0.88 0.08 6.34 3.72 -0.34 -3.74 117.46 123.30 2min n PHE 435 Ca 0.13 0.29 -0.10 0.00 -0.05 0.00 0.00 57.45 57.72 2min n PHE 435 Cb 0.27 -1.10 -0.08 0.00 -0.94 0.00 0.00 39.48 37.64 2min n PHE 435 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2min h THR 436 N -0.57 1.56 -2.11 4.37 1.35 -1.25 -3.35 112.91 112.92 2min h THR 436 Ca -0.44 -2.98 -0.57 0.00 -0.55 0.00 0.00 66.41 61.87 2min h THR 436 Cb 1.63 2.72 -0.40 0.00 -1.73 0.00 0.00 68.15 70.37 2min h THR 436 CO -0.13 0.86 -0.98 -0.67 -0.25 0.00 0.00 175.52 174.35 2min n ASP 437 N -3.53 0.88 -4.68 5.36 2.03 -0.76 -5.07 116.55 110.78 2min n ASP 437 Ca -0.04 -2.82 -0.47 0.00 0.52 0.00 0.00 54.79 51.98 2min n ASP 437 Cb 0.91 -0.64 -0.04 0.00 -0.72 0.00 0.00 41.12 40.62 2min n ASP 437 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2min n LYS 438 N 1.46 2.30 -2.08 -0.67 4.81 -1.25 -4.53 118.16 118.21 2min n LYS 438 Ca 0.24 0.84 -0.28 0.00 -0.87 0.00 0.00 58.31 58.24 2min n LYS 438 Cb 0.50 -2.71 0.19 0.00 0.02 0.00 0.00 35.03 33.02 2min n LYS 438 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2min n PRO 439 N 6.77 -1.01 0.07 1.64 -0.04 -1.26 -5.03 135.00 136.14 2min n PRO 439 Ca 0.22 -2.24 -0.19 0.00 -0.04 0.00 0.00 63.50 61.25 2min n PRO 439 Cb 0.31 -1.20 -0.15 0.00 -0.04 0.00 0.00 33.50 32.43 2min n PRO 439 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2min h ASP 440 N -1.47 0.49 -5.19 3.54 3.32 -1.10 -3.46 116.42 112.54 2min h ASP 440 Ca -0.41 -0.67 -0.09 0.00 0.02 0.00 0.00 57.03 55.88 2min h ASP 440 Cb 1.20 -0.16 -0.13 0.00 0.22 0.00 0.00 39.33 40.46 2min h ASP 440 CO 0.32 1.56 -0.36 -0.36 -1.72 0.00 0.00 179.24 178.68 2min s PHE 441 N -2.61 0.24 -0.03 4.55 0.08 -1.05 -4.13 117.98 115.03 2min s PHE 441 Ca -0.11 -0.65 0.03 0.00 0.12 0.00 0.00 56.93 56.33 2min s PHE 441 Cb 0.06 -0.06 -0.03 0.00 -0.57 0.00 0.00 43.02 42.42 2min s PHE 441 CO 0.86 -0.60 -0.10 -1.64 -0.10 0.00 0.00 175.22 173.64 2min s MET 442 N -3.90 2.56 -0.24 0.44 -1.94 -0.37 -1.50 119.30 114.36 2min s MET 442 Ca 0.09 -0.68 0.01 0.00 -1.71 0.00 0.00 55.69 53.40 2min s MET 442 Cb 0.04 -2.47 0.04 0.00 2.01 0.00 0.00 34.83 34.46 2min s MET 442 CO -0.07 0.62 -0.11 0.42 -0.01 0.00 0.00 175.02 175.87 2min s ILE 443 N -0.86 2.37 0.00 2.53 1.01 0.11 -0.31 121.20 126.06 2min s ILE 443 Ca 0.14 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.50 2min s ILE 443 Cb -0.11 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.11 2min s ILE 443 CO 0.04 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2min n GLY 444 N 4.55 1.73 3.08 6.18 0.00 -0.64 -2.91 105.19 117.19 2min n GLY 444 Ca -0.16 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 2min n GLY 444 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2min n ASN 445 N -0.55 0.98 0.29 1.61 0.23 -1.26 -1.06 115.26 115.49 2min n ASN 445 Ca 0.00 -1.85 0.16 0.00 -0.53 0.00 0.00 54.58 52.35 2min n ASN 445 Cb 0.00 -0.54 0.85 0.00 -2.08 0.00 0.00 39.78 38.01 2min n ASN 445 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2min h SER 446 N -0.56 0.00 0.31 0.53 0.02 -1.66 -1.01 113.55 111.18 2min h SER 446 Ca -0.27 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2min h SER 446 Cb 0.97 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 2min h SER 446 CO 0.28 0.06 -0.02 1.88 -1.14 0.00 0.00 176.83 177.89 2min h TYR 447 N 0.00 0.00 0.00 3.45 0.05 -1.95 -0.55 116.97 117.98 2min h TYR 447 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2min h TYR 447 Cb 0.24 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 2min h TYR 447 CO 0.00 0.02 -0.00 0.78 -1.05 0.00 0.00 178.16 177.91 2min h GLY 448 N 0.65 0.00 1.72 3.88 0.00 -1.55 -2.76 103.07 105.02 2min h GLY 448 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2min h GLY 448 CO 0.00 0.00 0.15 0.07 0.00 0.00 0.00 176.54 176.76 2min h LYS 449 N 0.00 0.37 0.00 4.80 2.10 -1.28 -1.06 116.57 121.50 2min h LYS 449 Ca -0.00 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.53 2min h LYS 449 Cb 0.04 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 2min h LYS 449 CO 0.00 0.28 -0.40 0.74 -2.00 0.00 0.00 179.45 178.07 2min h PHE 450 N 0.38 0.00 -0.08 0.07 0.04 -1.70 -1.15 116.94 114.50 2min h PHE 450 Ca 0.10 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.74 2min h PHE 450 Cb 0.01 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.17 2min h PHE 450 CO 0.00 0.40 -0.46 0.82 -0.60 0.00 0.00 178.31 178.47 2min h ILE 451 N 0.00 1.39 -0.76 -0.55 2.04 -1.37 -2.33 117.51 115.93 2min h ILE 451 Ca -0.00 -1.82 0.07 0.00 1.00 0.00 0.00 64.86 64.10 2min h ILE 451 Cb 0.87 2.27 -0.06 0.00 -0.74 0.00 0.00 36.82 39.16 2min h ILE 451 CO 0.05 0.54 0.44 -0.61 0.00 0.00 0.00 178.15 178.57 2min h GLN 452 N 0.03 0.77 -0.52 2.37 4.15 -1.15 -0.70 115.11 120.05 2min h GLN 452 Ca -0.03 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.39 2min h GLN 452 Cb 1.12 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.59 2min h GLN 452 CO 0.10 0.51 0.26 -0.09 -1.93 0.00 0.00 178.83 177.67 2min h ARG 453 N 0.79 0.48 -0.51 1.69 1.12 -1.22 -1.09 114.38 115.65 2min h ARG 453 Ca 0.34 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 59.12 2min h ARG 453 Cb 0.22 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.05 2min h ARG 453 CO -0.19 0.32 0.09 -0.44 -3.11 0.00 0.00 179.97 176.64 2min h ASP 454 N 0.50 0.80 -0.59 -3.80 3.32 -0.81 -2.42 116.42 113.42 2min h ASP 454 Ca 0.24 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 2min h ASP 454 Cb 0.16 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2min h ASP 454 CO -0.17 0.85 0.05 0.71 -1.72 0.00 0.00 179.24 178.96 2min h THR 455 N 0.72 1.26 -0.14 0.35 1.35 -0.77 -2.40 112.91 113.28 2min h THR 455 Ca 0.16 -1.07 -0.03 0.00 -0.55 0.00 0.00 66.41 64.91 2min h THR 455 Cb 0.38 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 2min h THR 455 CO 0.01 0.39 -0.07 0.25 -0.25 0.00 0.00 175.52 175.85 2min h LEU 456 N 0.96 0.19 -1.29 3.87 5.85 -1.13 -2.26 115.31 121.50 2min h LEU 456 Ca 0.18 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 2min h LEU 456 Cb 0.48 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2min h LEU 456 CO 0.02 0.30 -0.30 -0.74 -0.34 0.00 0.00 178.44 177.37 2min h HIS 457 N 0.20 0.09 -0.13 1.25 2.76 -0.91 -0.85 115.15 117.56 2min h HIS 457 Ca 0.04 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 2min h HIS 457 Cb 0.27 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 2min h HIS 457 CO 0.00 0.38 -0.37 -0.22 -1.30 0.00 0.00 177.93 176.43 2min h LYS 458 N 0.08 0.27 0.00 5.26 3.64 -1.31 -3.48 116.57 121.02 2min h LYS 458 Ca 0.01 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2min h LYS 458 Cb 0.58 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2min h LYS 458 CO 0.04 0.60 0.00 0.41 -2.27 0.00 0.00 179.45 178.23 2min n GLY 459 N -0.27 3.71 0.35 5.01 0.00 -0.32 -4.93 105.19 108.73 2min n GLY 459 Ca -0.01 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.15 2min n GLY 459 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2min h LYS 460 N 0.00 0.95 0.00 1.61 1.63 -1.85 0.05 116.57 118.95 2min h LYS 460 Ca 0.00 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2min h LYS 460 Cb 0.00 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.42 2min h LYS 460 CO 0.00 0.63 0.00 -0.85 -3.45 0.00 0.00 179.45 175.78 2min n GLU 461 N -4.43 0.20 0.00 1.90 0.00 -1.26 -2.08 120.64 114.97 2min n GLU 461 Ca 0.08 0.39 0.11 0.00 0.00 0.00 0.00 57.16 57.75 2min n GLU 461 Cb 0.05 -1.86 0.03 0.00 0.00 0.00 0.00 31.44 29.66 2min n GLU 461 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2min n PHE 462 N -2.24 0.00 -1.97 -1.84 3.72 -0.03 -4.98 117.46 110.12 2min n PHE 462 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 2min n PHE 462 Cb 0.26 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 2min n PHE 462 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2min s GLU 463 N -2.58 4.24 -0.32 -1.08 2.12 -0.88 -4.65 118.70 115.54 2min s GLU 463 Ca 0.17 2.34 -0.03 0.00 0.36 0.00 0.00 54.97 57.81 2min s GLU 463 Cb 0.18 -3.13 0.05 0.00 0.26 0.00 0.00 34.13 31.50 2min s GLU 463 CO 0.62 -0.51 0.06 0.08 -0.54 0.00 0.00 175.26 174.96 2min s VAL 464 N 0.51 3.26 0.35 3.70 1.01 -1.26 -4.96 120.40 123.00 2min s VAL 464 Ca 0.64 -1.40 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2min s VAL 464 Cb -0.43 -2.91 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 2min s VAL 464 CO 0.38 -0.20 1.38 -2.84 0.00 0.00 0.00 175.10 173.82 2min s PRO 465 N 1.28 4.26 -0.01 2.72 0.02 -1.26 -4.43 135.00 137.58 2min s PRO 465 Ca -0.03 2.36 -0.20 0.00 0.02 0.00 0.00 61.00 63.15 2min s PRO 465 Cb -0.20 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 2min s PRO 465 CO -0.00 -0.33 0.59 -1.17 -0.33 0.00 0.00 177.00 175.76 2min s LEU 466 N -1.85 4.41 -0.38 -5.54 2.96 -1.26 -1.23 118.68 115.79 2min s LEU 466 Ca 0.51 1.14 -0.06 0.00 -0.22 0.00 0.00 54.13 55.50 2min s LEU 466 Cb -0.42 -2.91 0.07 0.00 0.50 0.00 0.00 46.19 43.43 2min s LEU 466 CO 0.56 0.10 0.17 -0.63 -1.32 0.00 0.00 176.35 175.23 2min s ILE 467 N -0.17 3.71 -0.65 6.68 1.01 0.58 -4.93 121.20 127.42 2min s ILE 467 Ca 0.31 -1.47 -0.27 0.00 0.00 0.00 0.00 60.65 59.22 2min s ILE 467 Cb -0.18 -3.26 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 2min s ILE 467 CO 0.17 -0.40 1.66 -0.13 0.00 0.00 0.00 174.94 176.24 2min s ARG 468 N 1.33 2.83 -0.06 2.79 0.52 -1.26 -1.61 118.95 123.49 2min s ARG 468 Ca 0.02 0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 55.53 2min s ARG 468 Cb -0.21 -4.31 0.03 0.00 0.52 0.00 0.00 34.95 30.97 2min s ARG 468 CO 0.00 -2.52 0.01 0.42 0.02 0.00 0.00 175.30 173.23 2min s ILE 469 N 7.89 0.25 -5.00 1.52 1.01 -0.23 -4.93 121.20 121.72 2min s ILE 469 Ca 0.56 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.38 2min s ILE 469 Cb -0.11 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 41.94 2min s ILE 469 CO 0.19 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.96 2min n GLY 470 N 4.97 0.64 3.07 6.18 0.00 -1.26 -3.79 105.19 115.00 2min n GLY 470 Ca -0.10 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 2min n GLY 470 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2min s PHE 471 N -3.35 -0.23 0.36 1.61 5.36 -1.26 -4.40 117.98 116.07 2min s PHE 471 Ca 0.00 0.57 -0.24 0.00 -0.96 0.00 0.00 56.93 56.30 2min s PHE 471 Cb 0.00 0.06 -0.10 0.00 -0.34 0.00 0.00 43.02 42.64 2min s PHE 471 CO 0.00 -0.13 0.93 -1.25 -1.46 0.00 0.00 175.22 173.32 2min s PRO 472 N 0.32 4.43 -0.31 10.12 0.04 -1.26 -4.80 135.00 143.54 2min s PRO 472 Ca -0.02 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.25 2min s PRO 472 Cb -0.03 -2.57 0.07 0.00 0.04 0.00 0.00 34.50 32.01 2min s PRO 472 CO -0.01 0.17 0.01 0.42 0.04 0.00 0.00 177.00 177.63 2min s ILE 473 N -1.82 2.67 -0.11 0.56 1.01 -1.26 -1.65 121.20 120.59 2min s ILE 473 Ca 0.54 -1.73 0.09 0.00 0.00 0.00 0.00 60.65 59.55 2min s ILE 473 Cb -0.15 -2.67 -0.13 0.00 0.01 0.00 0.00 42.46 39.52 2min s ILE 473 CO 0.20 -0.26 0.25 0.49 0.00 0.00 0.00 174.94 175.61 2min n PHE 474 N 4.49 0.00 -0.13 3.97 3.72 -1.26 -4.51 117.46 123.75 2min n PHE 474 Ca -0.09 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.40 2min n PHE 474 Cb 0.42 -0.16 0.21 0.00 -0.94 0.00 0.00 39.48 39.01 2min n PHE 474 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2min n ASP 475 N -1.68 3.27 -4.19 4.37 5.75 -1.26 -4.89 116.55 117.91 2min n ASP 475 Ca -0.01 -1.96 -0.17 0.00 -0.01 0.00 0.00 54.79 52.65 2min n ASP 475 Cb 0.22 -0.30 -0.11 0.00 -1.03 0.00 0.00 41.12 39.89 2min n ASP 475 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2min s ARG 476 N -1.06 0.88 -0.12 0.11 1.81 -1.26 -5.15 118.95 114.16 2min s ARG 476 Ca 0.33 -1.11 -0.06 0.00 -1.72 0.00 0.00 55.73 53.17 2min s ARG 476 Cb 0.18 -0.74 -0.04 0.00 -0.45 0.00 0.00 34.95 33.90 2min s ARG 476 CO 0.24 0.14 0.11 -1.01 -0.68 0.00 0.00 175.30 174.09 2min s HIS 477 N -1.94 3.49 -0.86 -0.53 3.76 -1.26 -4.67 115.29 113.28 2min s HIS 477 Ca 0.04 0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.38 2min s HIS 477 Cb -0.06 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.71 2min s HIS 477 CO 0.02 0.65 0.00 0.72 -0.85 0.00 0.00 174.74 175.28 2min n HIS 478 N 2.11 0.00 0.47 1.40 8.25 -1.26 -4.85 115.22 121.34 2min n HIS 478 Ca -0.19 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.39 2min n HIS 478 Cb 0.55 -2.22 0.47 0.00 1.12 0.00 0.00 29.99 29.91 2min n HIS 478 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2min n LEU 479 N -0.92 0.66 0.02 2.41 4.77 -1.26 -1.55 117.00 121.14 2min n LEU 479 Ca -0.08 0.63 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 2min n LEU 479 Cb 0.47 -0.51 0.27 0.00 -2.33 0.00 0.00 43.42 41.32 2min n LEU 479 CO 0.12 -0.45 0.70 0.00 -1.33 0.00 0.00 177.39 176.43 2min n HIS 480 N -2.20 0.12 1.24 -1.77 1.44 -1.26 -1.95 115.22 110.83 2min n HIS 480 Ca 0.03 0.05 0.14 0.00 -2.01 0.00 0.00 57.72 55.93 2min n HIS 480 Cb 0.28 -0.58 0.53 0.00 0.12 0.00 0.00 29.99 30.34 2min n HIS 480 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2min n ARG 481 N -1.61 0.41 -0.86 -1.40 1.74 -0.60 -1.13 116.66 113.21 2min n ARG 481 Ca 0.02 -0.15 -0.30 0.00 -0.77 0.00 0.00 57.85 56.65 2min n ARG 481 Cb 0.13 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.34 2min n ARG 481 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2min s SER 482 N -2.69 0.07 -0.05 0.55 0.01 -0.82 -3.49 113.70 107.28 2min s SER 482 Ca 0.22 0.61 0.01 0.00 1.31 0.00 0.00 55.95 58.11 2min s SER 482 Cb 0.19 -0.82 0.02 0.00 0.21 0.00 0.00 66.02 65.62 2min s SER 482 CO 0.53 -4.64 -0.07 -0.89 0.41 0.00 0.00 173.24 168.58 2min s THR 483 N -2.79 0.69 -0.40 1.44 2.01 -1.26 -1.92 115.64 113.42 2min s THR 483 Ca 0.71 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.53 2min s THR 483 Cb -0.09 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 2min s THR 483 CO 0.56 0.25 0.37 0.35 -0.69 0.00 0.00 174.62 175.47 2min n THR 484 N 3.89 0.00 -3.39 -0.82 -2.24 -1.26 -4.22 114.28 106.24 2min n THR 484 Ca -0.24 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 60.91 2min n THR 484 Cb 0.51 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.78 2min n THR 484 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2min s LEU 485 N -1.64 3.92 0.00 3.22 1.43 -1.26 -4.18 118.68 120.17 2min s LEU 485 Ca 0.03 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2min s LEU 485 Cb 0.04 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.37 2min s LEU 485 CO 0.16 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.89 2min n GLY 486 N -1.74 -1.24 0.21 -3.19 0.00 -0.02 -0.33 105.19 98.88 2min n GLY 486 Ca -0.01 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 2min n GLY 486 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2min h TYR 487 N -0.05 0.51 0.31 1.61 0.05 -1.90 -1.75 116.97 115.75 2min h TYR 487 Ca 0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 2min h TYR 487 Cb 0.05 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.68 2min h TYR 487 CO 0.00 0.80 -0.19 1.49 -1.05 0.00 0.00 178.16 179.22 2min h GLU 488 N 0.34 -0.46 -0.62 4.88 4.81 -1.95 0.53 114.58 122.11 2min h GLU 488 Ca 0.02 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2min h GLU 488 Cb 0.94 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 2min h GLU 488 CO 0.08 -0.31 0.24 0.78 -0.73 0.00 0.00 179.01 179.08 2min h GLY 489 N -0.48 0.98 1.17 1.92 0.00 -0.61 -1.57 103.07 104.49 2min h GLY 489 Ca -0.03 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 2min h GLY 489 CO 0.04 0.48 0.05 0.00 0.00 0.00 0.00 176.54 177.12 2min h ALA 490 N 1.36 0.96 -0.29 3.60 0.00 -1.03 -1.10 119.26 122.77 2min h ALA 490 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2min h ALA 490 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2min h ALA 490 CO -0.02 0.64 0.14 0.52 0.00 0.00 0.00 179.25 180.53 2min h MET 491 N 0.93 0.42 -0.23 0.00 2.07 -0.45 -0.50 114.93 117.18 2min h MET 491 Ca 0.18 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.74 2min h MET 491 Cb 0.47 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.11 2min h MET 491 CO 0.02 0.40 0.11 1.96 1.07 0.00 0.00 176.91 180.48 2min h GLN 492 N 0.34 0.32 -0.02 1.72 4.20 -1.06 -1.32 115.11 119.28 2min h GLN 492 Ca 0.10 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2min h GLN 492 Cb 0.12 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2min h GLN 492 CO -0.01 0.32 0.02 0.82 -0.67 0.00 0.00 178.83 179.30 2min h ILE 493 N 0.24 1.02 -0.37 2.54 2.04 -1.04 -0.85 117.51 121.10 2min h ILE 493 Ca 0.08 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 65.95 2min h ILE 493 Cb 0.10 1.03 -0.09 0.00 -0.74 0.00 0.00 36.82 37.12 2min h ILE 493 CO -0.01 0.02 -0.32 0.25 0.00 0.00 0.00 178.15 178.09 2min h LEU 494 N 0.01 -1.06 -0.36 1.44 7.12 -1.03 0.79 115.31 122.22 2min h LEU 494 Ca 0.01 0.19 0.02 0.00 0.13 0.00 0.00 57.88 58.23 2min h LEU 494 Cb 0.02 0.50 -0.03 0.00 -0.53 0.00 0.00 40.66 40.62 2min h LEU 494 CO -0.00 -0.32 0.20 0.74 -0.13 0.00 0.00 178.44 178.92 2min h THR 495 N -0.26 1.01 -0.58 1.05 2.02 -0.86 -1.03 112.91 114.26 2min h THR 495 Ca 0.17 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 2min h THR 495 Cb 0.54 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2min h THR 495 CO -0.52 0.07 0.36 0.74 0.37 0.00 0.00 175.52 176.54 2min h THR 496 N 0.40 1.17 0.46 3.16 2.02 -0.63 -1.00 112.91 118.49 2min h THR 496 Ca 0.15 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2min h THR 496 Cb 0.03 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2min h THR 496 CO -0.09 0.17 -0.22 -0.07 0.37 0.00 0.00 175.52 175.68 2min h LEU 497 N 0.79 -0.53 -0.85 2.58 3.38 -0.51 -0.58 115.31 119.58 2min h LEU 497 Ca 0.21 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2min h LEU 497 Cb -0.04 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2min h LEU 497 CO -0.04 -0.24 0.55 0.58 0.09 0.00 0.00 178.44 179.37 2min h VAL 498 N -0.81 1.13 0.00 1.22 2.07 -1.17 -1.72 116.25 116.97 2min h VAL 498 Ca -0.06 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 2min h VAL 498 Cb 0.56 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2min h VAL 498 CO 0.10 0.19 -0.57 0.78 0.02 0.00 0.00 177.57 178.09 2min h ASN 499 N 1.06 0.00 -0.45 0.57 -0.26 -1.15 -0.95 115.58 114.40 2min h ASN 499 Ca 0.34 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.97 2min h ASN 499 Cb 0.02 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.26 2min h ASN 499 CO -0.12 0.57 -0.15 0.28 -1.06 0.00 0.00 177.43 176.96 2min h SER 500 N 0.00 0.94 -0.32 5.81 0.02 -0.60 0.60 113.55 120.00 2min h SER 500 Ca -0.01 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 2min h SER 500 Cb 1.11 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 2min h SER 500 CO 0.07 1.08 0.12 0.40 -1.14 0.00 0.00 176.83 177.36 2min h ILE 501 N 0.82 1.19 0.00 3.27 2.04 -0.92 -1.85 117.51 122.06 2min h ILE 501 Ca 0.12 -0.60 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 2min h ILE 501 Cb 0.69 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2min h ILE 501 CO 0.05 0.21 -0.49 -0.07 0.00 0.00 0.00 178.15 177.84 2min h LEU 502 N 0.37 0.00 -0.24 1.44 3.38 -0.96 -0.55 115.31 118.76 2min h LEU 502 Ca 0.11 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 2min h LEU 502 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.96 2min h LEU 502 CO -0.01 0.49 -0.66 -0.08 0.09 0.00 0.00 178.44 178.27 2min h GLU 503 N 0.00 0.83 -0.68 1.13 4.22 -0.75 -1.40 114.58 117.93 2min h GLU 503 Ca -0.00 -0.60 -0.06 0.00 0.08 0.00 0.00 59.36 58.77 2min h GLU 503 Cb 0.91 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2min h GLU 503 CO 0.06 1.22 0.17 -0.09 -2.18 0.00 0.00 179.01 178.19 2min h ARG 504 N 0.60 1.08 -0.35 1.92 9.65 -0.99 -1.02 114.38 125.27 2min h ARG 504 Ca -0.02 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.59 2min h ARG 504 Cb 1.28 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 2min h ARG 504 CO 0.14 0.96 0.17 1.25 2.80 0.00 0.00 179.97 185.29 2min h LEU 505 N 1.01 0.46 -1.07 3.80 6.46 -1.02 -1.35 115.31 123.59 2min h LEU 505 Ca 0.21 -0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.92 2min h LEU 505 Cb 0.36 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.10 2min h LEU 505 CO 0.00 0.45 0.62 0.44 -0.62 0.00 0.00 178.44 179.33 2min h ASP 506 N 0.44 0.98 -0.52 1.25 3.32 -0.90 0.38 116.42 121.37 2min h ASP 506 Ca 0.12 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2min h ASP 506 Cb 0.11 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2min h ASP 506 CO -0.02 0.62 0.21 -0.08 -1.72 0.00 0.00 179.24 178.26 2min h GLU 507 N 1.10 0.77 0.00 3.56 4.81 -0.75 -1.87 114.58 122.20 2min h GLU 507 Ca 0.42 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 2min h GLU 507 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2min h GLU 507 CO -0.17 0.67 -0.27 0.93 -0.73 0.00 0.00 179.01 179.44 2min h GLU 508 N 0.70 0.00 -0.51 1.92 5.08 -0.36 -2.90 114.58 118.50 2min h GLU 508 Ca 0.17 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 2min h GLU 508 Cb 0.18 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.34 2min h GLU 508 CO -0.02 0.27 0.12 0.25 -1.00 0.00 0.00 179.01 178.64 2min n THR 509 N -3.44 2.67 1.03 1.13 -2.24 0.04 -4.57 114.28 108.89 2min n THR 509 Ca 0.00 -1.98 0.12 0.00 -2.27 0.00 0.00 64.05 59.93 2min n THR 509 Cb 0.45 -0.32 0.33 0.00 -2.10 0.00 0.00 70.33 68.69 2min n THR 509 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2min n ARG 510 N -0.52 0.07 -2.32 -0.78 0.63 -0.73 -3.37 116.66 109.64 2min n ARG 510 Ca 0.34 -0.04 -0.43 0.00 -0.92 0.00 0.00 57.85 56.81 2min n ARG 510 Cb 1.17 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 32.56 2min n ARG 510 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2min s GLY 511 N -2.96 1.46 0.09 5.14 0.00 -1.26 -4.79 107.32 105.01 2min s GLY 511 Ca 0.13 0.39 -0.32 0.00 0.00 0.00 0.00 44.72 44.92 2min s GLY 511 CO 0.65 2.68 1.81 -0.13 0.00 0.00 0.00 173.10 178.12 2min n MET 512 N 7.10 2.62 -0.93 2.90 1.56 -1.26 -1.07 117.12 128.04 2min n MET 512 Ca 0.15 0.95 0.00 0.00 -0.27 0.00 0.00 57.70 58.54 2min n MET 512 Cb 0.45 -2.83 0.00 0.00 2.15 0.00 0.00 33.22 33.00 2min n MET 512 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 2min n GLN 513 N 5.54 -1.89 0.02 2.12 7.27 -1.26 -4.72 117.38 124.46 2min n GLN 513 Ca 0.19 0.45 -0.02 0.00 0.07 0.00 0.00 57.00 57.69 2min n GLN 513 Cb 0.35 -4.86 -0.01 0.00 2.41 0.00 0.00 30.24 28.14 2min n GLN 513 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2min n ALA 514 N 0.96 2.56 -0.21 1.69 0.00 -0.67 -4.90 120.51 119.94 2min n ALA 514 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2min n ALA 514 Cb 0.45 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2min n ALA 514 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2min n THR 515 N -3.69 0.00 1.38 0.00 -2.24 -0.23 -4.78 114.28 104.72 2min n THR 515 Ca -0.03 -0.34 0.11 0.00 -2.27 0.00 0.00 64.05 61.52 2min n THR 515 Cb 0.11 1.21 0.65 0.00 -2.10 0.00 0.00 70.33 70.19 2min n THR 515 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2min n ASP 516 N -0.24 0.00 -0.02 3.42 5.75 -0.48 -2.30 116.55 122.69 2min n ASP 516 Ca 0.00 -0.69 0.15 0.00 -0.01 0.00 0.00 54.79 54.24 2min n ASP 516 Cb 0.05 0.00 0.58 0.00 -1.03 0.00 0.00 41.12 40.72 2min n ASP 516 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 2min h TYR 517 N 0.00 0.23 -0.73 2.11 -0.00 -1.86 -1.62 116.97 115.10 2min h TYR 517 Ca 0.00 0.01 -0.22 0.00 0.00 0.00 0.00 58.73 58.51 2min h TYR 517 Cb 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 36.73 36.52 2min h TYR 517 CO 0.00 0.11 0.27 -1.71 -0.00 0.00 0.00 178.16 176.83 2min n ASN 518 N -4.45 4.76 -4.10 0.10 5.15 -0.97 -4.73 115.26 111.03 2min n ASN 518 Ca 0.09 -3.25 -0.43 0.00 -0.60 0.00 0.00 54.58 50.39 2min n ASN 518 Cb 0.43 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 38.94 2min n ASN 518 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2min n HIS 519 N -0.21 3.57 -2.29 1.20 -0.00 -0.61 -4.88 115.22 111.99 2min n HIS 519 Ca 0.41 -3.01 -0.40 0.00 0.46 0.00 0.00 57.72 55.17 2min n HIS 519 Cb 1.39 -1.84 -0.03 0.00 -0.12 0.00 0.00 29.99 29.39 2min n HIS 519 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2min s ASP 520 N 0.84 7.02 0.21 0.26 1.01 -1.26 -4.95 116.67 119.80 2min s ASP 520 Ca 0.38 2.48 -0.04 0.00 0.71 0.00 0.00 52.55 56.07 2min s ASP 520 Cb 0.03 -2.64 0.19 0.00 1.01 0.00 0.00 42.92 41.51 2min s ASP 520 CO 0.02 -0.34 1.63 0.25 0.21 0.00 0.00 175.17 176.94 2min h LEU 521 N 3.61 0.80 -8.55 1.23 5.85 -2.00 -3.42 115.31 112.83 2min h LEU 521 Ca -0.48 -0.28 -0.65 0.00 0.84 0.00 0.00 57.88 57.31 2min h LEU 521 Cb 1.22 -0.22 -0.26 0.00 0.37 0.00 0.00 40.66 41.78 2min h LEU 521 CO 0.66 0.98 -0.70 -0.69 -0.34 0.00 0.00 178.44 178.35 2min s VAL 522 N -4.64 3.57 0.00 1.05 1.01 -1.26 -5.29 120.40 114.85 2min s VAL 522 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2min s VAL 522 Cb 0.13 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2min s VAL 522 CO 0.84 0.44 0.19 0.54 0.00 0.00 0.00 175.10 177.10