#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3min s GLN 3 N 0.00 1.10 -0.28 1.43 -1.52 -1.26 -4.98 119.66 114.15 3min s GLN 3 Ca 0.00 -1.15 -0.06 0.00 -1.95 0.00 0.00 55.36 52.20 3min s GLN 3 Cb 0.00 -1.32 0.01 0.00 -0.22 0.00 0.00 33.01 31.48 3min s GLN 3 CO 0.00 0.30 0.05 -1.14 -0.25 0.00 0.00 175.29 174.26 3min s GLN 4 N -1.94 3.12 0.34 2.91 0.74 -1.26 -5.01 119.66 118.56 3min s GLN 4 Ca 0.06 -0.83 0.16 0.00 0.05 0.00 0.00 55.36 54.80 3min s GLN 4 Cb -0.10 -3.29 0.85 0.00 1.10 0.00 0.00 33.01 31.57 3min s GLN 4 CO 0.04 -0.40 1.40 -0.24 -0.55 0.00 0.00 175.29 175.54 3min h VAL 5 N 5.87 0.00 -0.01 1.34 3.04 -2.00 -0.57 116.25 123.91 3min h VAL 5 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 3min h VAL 5 Cb 1.13 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 3min h VAL 5 CO 0.60 0.00 -0.50 -0.90 -1.01 0.00 0.00 177.57 175.76 3min n ASP 6 N -2.13 1.84 -3.07 3.17 5.75 -1.26 -4.50 116.55 116.35 3min n ASP 6 Ca -0.01 -1.40 -0.18 0.00 -0.01 0.00 0.00 54.79 53.19 3min n ASP 6 Cb 0.26 0.49 -0.04 0.00 -1.03 0.00 0.00 41.12 40.79 3min n ASP 6 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3min n LYS 7 N -0.22 0.54 -2.54 0.11 0.00 -0.23 -5.12 118.16 110.72 3min n LYS 7 Ca 0.09 -2.67 -0.40 0.00 0.00 0.00 0.00 58.31 55.32 3min n LYS 7 Cb 0.44 -1.44 -0.04 0.00 0.00 0.00 0.00 35.03 33.99 3min n LYS 7 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3min s ILE 8 N -0.06 3.72 -0.16 3.15 1.01 -1.19 -4.08 121.20 123.60 3min s ILE 8 Ca 0.33 1.64 -0.06 0.00 0.00 0.00 0.00 60.65 62.56 3min s ILE 8 Cb 0.11 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3min s ILE 8 CO -0.15 0.35 0.04 -0.54 0.00 0.00 0.00 174.94 174.64 3min s LYS 9 N -1.03 3.74 0.63 2.79 1.02 -1.26 -5.05 119.74 120.58 3min s LYS 9 Ca 0.45 -0.37 -0.08 0.00 0.02 0.00 0.00 55.97 56.00 3min s LYS 9 Cb -0.30 -3.09 0.14 0.00 -0.52 0.00 0.00 37.83 34.06 3min s LYS 9 CO 0.37 0.36 0.87 0.00 -0.92 0.00 0.00 175.35 176.03 3min n ALA 10 N 3.23 -0.64 -0.31 5.17 0.00 -1.26 -4.70 120.51 122.00 3min n ALA 10 Ca -0.17 -1.30 0.12 0.00 0.00 0.00 0.00 53.44 52.09 3min n ALA 10 Cb 0.53 0.05 0.27 0.00 0.00 0.00 0.00 19.45 20.29 3min n ALA 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3min h SER 11 N -0.95 -0.28 -3.66 0.00 4.64 -1.99 -1.69 113.55 109.62 3min h SER 11 Ca -0.28 0.23 -0.64 0.00 -0.47 0.00 0.00 61.79 60.63 3min h SER 11 Cb 0.86 0.38 -0.20 0.00 -0.31 0.00 0.00 62.40 63.13 3min h SER 11 CO 0.23 -0.25 -0.58 -0.47 -0.87 0.00 0.00 176.83 174.89 3min s TYR 12 N -6.00 3.15 -1.02 4.77 5.04 -1.26 -1.49 117.35 120.55 3min s TYR 12 Ca -0.13 -0.17 0.18 0.00 -2.44 0.00 0.00 57.07 54.51 3min s TYR 12 Cb 0.27 -2.26 0.75 0.00 0.35 0.00 0.00 41.96 41.07 3min s TYR 12 CO 0.77 -0.21 1.66 -0.35 -1.34 0.00 0.00 175.55 176.08 3min n PRO 13 N 4.73 3.93 -0.21 4.97 -0.04 -1.16 -5.02 135.00 142.20 3min n PRO 13 Ca -0.16 -2.95 0.00 0.00 -0.04 0.00 0.00 63.50 60.36 3min n PRO 13 Cb 0.52 -1.96 0.08 0.00 -0.04 0.00 0.00 33.50 32.10 3min n PRO 13 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3min h LEU 14 N 4.13 -0.44 0.00 1.53 5.85 -0.29 -1.47 115.31 124.61 3min h LEU 14 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3min h LEU 14 Cb 1.54 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.90 3min h LEU 14 CO 0.27 -0.17 0.00 0.49 -0.34 0.00 0.00 178.44 178.69 3min n PHE 15 N -5.36 0.00 0.40 1.25 3.72 -0.99 -1.48 117.46 115.00 3min n PHE 15 Ca 0.08 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.59 3min n PHE 15 Cb 0.34 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.87 3min n PHE 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3min n LEU 16 N -0.64 0.57 -4.68 4.37 4.32 -0.55 -4.05 117.00 116.33 3min n LEU 16 Ca 0.05 0.04 -0.44 0.00 -0.02 0.00 0.00 56.01 55.64 3min n LEU 16 Cb 0.02 -0.07 -0.02 0.00 -1.62 0.00 0.00 43.42 41.73 3min n LEU 16 CO 0.04 -0.00 1.04 0.47 -1.22 0.00 0.00 177.39 177.72 3min n ASP 17 N -2.13 2.90 -0.30 -1.43 8.00 -0.55 -4.68 116.55 118.36 3min n ASP 17 Ca 0.01 1.14 0.12 0.00 0.71 0.00 0.00 54.79 56.77 3min n ASP 17 Cb 0.48 -1.45 0.26 0.00 -0.02 0.00 0.00 41.12 40.38 3min n ASP 17 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3min h GLN 18 N 4.26 0.10 -0.65 -1.24 5.75 -1.92 0.15 115.11 121.56 3min h GLN 18 Ca -0.45 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.02 3min h GLN 18 Cb 1.27 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.77 3min h GLN 18 CO 0.76 0.07 0.32 0.38 -2.65 0.00 0.00 178.83 177.70 3min h ASP 19 N 0.10 0.83 -0.18 -0.69 2.03 -1.96 0.14 116.42 116.69 3min h ASP 19 Ca 0.53 -0.08 -0.18 0.00 -0.73 0.00 0.00 57.03 56.57 3min h ASP 19 Cb 1.06 -0.21 0.01 0.00 -0.83 0.00 0.00 39.33 39.36 3min h ASP 19 CO -0.76 0.70 -0.59 1.88 -1.03 0.00 0.00 179.24 179.45 3min h TYR 20 N 0.92 0.94 -0.80 4.15 0.05 -1.08 -1.50 116.97 119.65 3min h TYR 20 Ca 0.23 -0.38 0.04 0.00 0.05 0.00 0.00 58.73 58.66 3min h TYR 20 Cb 0.09 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 3min h TYR 20 CO 0.01 1.19 0.51 -0.22 -1.05 0.00 0.00 178.16 178.60 3min h LYS 21 N 0.42 0.95 0.31 4.88 3.64 -0.78 -0.28 116.57 125.72 3min h LYS 21 Ca -0.02 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3min h LYS 21 Cb 1.22 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3min h LYS 21 CO 0.13 0.63 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.34 3min h ASP 22 N 0.98 -0.35 -0.74 4.20 3.32 -0.83 -2.39 116.42 120.60 3min h ASP 22 Ca 0.33 -0.12 0.14 0.00 0.02 0.00 0.00 57.03 57.40 3min h ASP 22 Cb 0.05 0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.59 3min h ASP 22 CO -0.13 -0.09 0.28 -0.03 -1.72 0.00 0.00 179.24 177.55 3min h MET 23 N -0.63 0.40 -0.02 3.56 4.05 -0.92 0.41 114.93 121.79 3min h MET 23 Ca -0.04 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.26 3min h MET 23 Cb 0.45 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 3min h MET 23 CO 0.07 0.26 -0.41 -0.07 0.23 0.00 0.00 176.91 177.00 3min h LEU 24 N 0.41 0.04 -0.22 3.39 3.38 -1.02 -0.36 115.31 120.92 3min h LEU 24 Ca 0.41 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.21 3min h LEU 24 Cb 0.63 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3min h LEU 24 CO -0.41 0.44 -0.45 0.00 0.09 0.00 0.00 178.44 178.11 3min h ALA 25 N 1.56 0.35 -0.77 1.53 0.00 -0.51 -2.54 119.26 118.88 3min h ALA 25 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3min h ALA 25 Cb 0.74 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3min h ALA 25 CO 0.05 0.49 0.43 0.87 0.00 0.00 0.00 179.25 181.10 3min h LYS 26 N 0.41 1.07 -0.26 0.00 6.56 -0.76 -1.71 116.57 121.88 3min h LYS 26 Ca 0.01 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 3min h LYS 26 Cb 1.06 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.49 3min h LYS 26 CO 0.10 0.78 0.17 -0.22 -2.06 0.00 0.00 179.45 178.22 3min h LYS 27 N 1.06 0.34 -0.18 3.15 3.64 -0.93 0.95 116.57 124.60 3min h LYS 27 Ca 0.27 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 3min h LYS 27 Cb 0.01 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3min h LYS 27 CO -0.05 0.22 -0.12 0.07 -2.27 0.00 0.00 179.45 177.30 3min h ARG 28 N 0.35 0.39 -0.36 1.90 -0.00 -1.25 -1.42 114.38 113.99 3min h ARG 28 Ca 0.09 -0.19 -0.01 0.00 -0.00 0.00 0.00 59.98 59.87 3min h ARG 28 Cb -0.04 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.91 3min h ARG 28 CO -0.02 0.73 0.17 -0.44 -0.00 0.00 0.00 179.97 180.40 3min h ASP 29 N 0.06 0.47 -0.22 0.08 3.32 -1.24 -1.58 116.42 117.32 3min h ASP 29 Ca 0.03 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 3min h ASP 29 Cb 0.63 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3min h ASP 29 CO 0.03 0.47 -0.40 1.23 -1.72 0.00 0.00 179.24 178.85 3min h GLY 30 N 0.44 0.72 0.00 2.75 0.00 -0.84 -3.43 103.07 102.71 3min h GLY 30 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.62 3min h GLY 30 CO -0.01 0.75 -0.29 0.69 0.00 0.00 0.00 176.54 177.67 3min n PHE 31 N -4.22 0.00 0.29 5.60 3.72 -0.54 -4.85 117.46 117.46 3min n PHE 31 Ca -0.06 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.46 3min n PHE 31 Cb 0.54 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.24 3min n PHE 31 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3min h GLU 32 N 0.00 0.00 -6.33 -1.08 5.08 -1.27 -3.48 114.58 107.50 3min h GLU 32 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 3min h GLU 32 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3min h GLU 32 CO 0.00 0.00 -0.86 0.39 -1.00 0.00 0.00 179.01 177.54 3min n GLU 33 N -2.75 -3.97 -2.41 2.33 1.02 -1.24 -4.90 120.64 108.72 3min n GLU 33 Ca 0.03 0.49 -0.39 0.00 -0.02 0.00 0.00 57.16 57.27 3min n GLU 33 Cb 0.51 -4.80 -0.04 0.00 -0.02 0.00 0.00 31.44 27.09 3min n GLU 33 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3min s LYS 34 N -6.32 4.41 0.32 3.49 2.20 -1.26 -4.98 119.74 117.60 3min s LYS 34 Ca 0.01 1.82 -0.29 0.00 -0.36 0.00 0.00 55.97 57.14 3min s LYS 34 Cb -0.00 -2.97 -0.12 0.00 -1.51 0.00 0.00 37.83 33.23 3min s LYS 34 CO 0.86 0.00 1.49 0.66 -0.36 0.00 0.00 175.35 178.00 3min n TYR 35 N 0.72 2.72 -1.71 4.03 4.01 -1.26 -4.93 117.16 120.74 3min n TYR 35 Ca 0.01 0.38 -0.41 0.00 -0.16 0.00 0.00 57.90 57.72 3min n TYR 35 Cb 0.45 -2.53 0.00 0.00 -0.31 0.00 0.00 39.34 36.96 3min n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3min n PRO 36 N 1.36 2.06 -0.31 -0.72 -0.02 -1.26 -4.79 135.00 131.31 3min n PRO 36 Ca 0.06 0.73 0.18 0.00 -2.02 0.00 0.00 63.50 62.45 3min n PRO 36 Cb 0.37 -2.39 0.44 0.00 -0.02 0.00 0.00 33.50 31.90 3min n PRO 36 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3min h GLN 37 N 2.31 0.51 -0.08 -0.52 5.75 -1.99 0.14 115.11 121.22 3min h GLN 37 Ca -0.47 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 57.92 3min h GLN 37 Cb 1.29 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 3min h GLN 37 CO 0.61 0.34 -0.29 -0.44 -2.65 0.00 0.00 178.83 176.40 3min h ASP 38 N 0.53 0.15 -0.10 -0.69 3.32 -1.99 0.15 116.42 117.78 3min h ASP 38 Ca 0.56 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.46 3min h ASP 38 Cb 1.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3min h ASP 38 CO -0.31 0.44 -0.35 0.50 -1.72 0.00 0.00 179.24 177.80 3min h LYS 39 N 0.13 0.42 -0.10 3.56 1.63 -1.11 -1.66 116.57 119.45 3min h LYS 39 Ca 0.02 -0.32 0.03 0.00 -0.85 0.00 0.00 60.65 59.54 3min h LYS 39 Cb 0.58 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.23 3min h LYS 39 CO 0.04 0.94 -0.12 0.82 -3.45 0.00 0.00 179.45 177.68 3min h ILE 40 N -0.02 0.67 -0.54 2.00 2.04 -0.74 -0.20 117.51 120.71 3min h ILE 40 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3min h ILE 40 Cb 0.98 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 3min h ILE 40 CO 0.07 0.00 0.28 0.44 0.00 0.00 0.00 178.15 178.95 3min h ASP 41 N -0.16 0.41 -0.41 1.72 3.32 -0.75 0.11 116.42 120.65 3min h ASP 41 Ca 0.08 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.20 3min h ASP 41 Cb 0.27 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3min h ASP 41 CO -0.19 0.28 0.17 -0.08 -1.72 0.00 0.00 179.24 177.69 3min h GLU 42 N 0.54 0.33 -0.30 3.56 4.81 -0.67 0.21 114.58 123.06 3min h GLU 42 Ca 0.24 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 3min h GLU 42 Cb 0.14 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3min h GLU 42 CO -0.16 0.22 -0.32 0.28 -0.73 0.00 0.00 179.01 178.30 3min h VAL 43 N 0.34 1.28 -0.28 0.32 2.07 -0.38 -0.41 116.25 119.19 3min h VAL 43 Ca 0.19 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3min h VAL 43 Cb 0.15 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3min h VAL 43 CO -0.17 0.47 0.12 0.15 0.02 0.00 0.00 177.57 178.16 3min h PHE 44 N 0.55 0.42 -0.65 1.57 3.57 -0.17 0.66 116.94 122.90 3min h PHE 44 Ca 0.06 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3min h PHE 44 Cb 0.82 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 3min h PHE 44 CO 0.04 0.41 0.21 1.96 -2.23 0.00 0.00 178.31 178.70 3min h GLN 45 N 0.32 0.98 -0.31 1.11 1.08 -0.75 -1.93 115.11 115.60 3min h GLN 45 Ca 0.10 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 3min h GLN 45 Cb 0.15 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 3min h GLN 45 CO -0.01 0.83 0.04 2.35 -0.95 0.00 0.00 178.83 181.09 3min h TRP 46 N 0.95 0.46 0.00 2.96 7.01 -0.42 -1.92 115.95 124.98 3min h TRP 46 Ca 0.21 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.18 3min h TRP 46 Cb 0.25 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 3min h TRP 46 CO 0.02 0.44 0.00 0.25 -2.79 0.00 0.00 178.44 176.36 3min n THR 47 N -4.33 0.43 1.06 2.65 -2.24 0.17 -2.07 114.28 109.94 3min n THR 47 Ca 0.01 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 3min n THR 47 Cb 0.20 -0.74 0.15 0.00 -2.10 0.00 0.00 70.33 67.84 3min n THR 47 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3min n THR 48 N -1.42 0.00 -1.91 4.28 -2.24 -0.73 -4.77 114.28 107.50 3min n THR 48 Ca 0.07 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 3min n THR 48 Cb 0.22 0.62 0.07 0.00 -2.10 0.00 0.00 70.33 69.14 3min n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3min s THR 49 N -2.81 2.78 0.26 4.28 -4.23 -0.88 -4.38 115.64 110.66 3min s THR 49 Ca 0.14 0.23 0.23 0.00 -1.18 0.00 0.00 61.69 61.11 3min s THR 49 Cb 0.18 -3.25 0.21 0.00 1.34 0.00 0.00 72.50 70.98 3min s THR 49 CO 0.68 -0.32 1.89 0.50 -0.54 0.00 0.00 174.62 176.83 3min h LYS 50 N -0.83 0.00 -0.08 3.99 3.11 -1.94 -2.20 116.57 118.62 3min h LYS 50 Ca -0.45 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.37 3min h LYS 50 Cb 1.29 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.52 3min h LYS 50 CO 0.65 0.24 -0.03 0.93 -2.81 0.00 0.00 179.45 178.43 3min h GLU 51 N 0.00 0.16 -0.48 1.90 3.07 -1.93 -0.02 114.58 117.28 3min h GLU 51 Ca -0.00 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 3min h GLU 51 Cb 0.63 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.50 3min h GLU 51 CO 0.03 0.51 0.27 -0.92 -1.40 0.00 0.00 179.01 177.50 3min h TYR 52 N -0.20 0.51 -0.80 4.33 3.20 -1.70 -1.43 116.97 120.87 3min h TYR 52 Ca 0.02 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.02 3min h TYR 52 Cb 0.46 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.48 3min h TYR 52 CO 0.06 0.28 0.41 0.37 -1.64 0.00 0.00 178.16 177.64 3min h GLN 53 N 0.54 0.63 -0.10 1.82 4.15 -1.07 0.16 115.11 121.24 3min h GLN 53 Ca 0.20 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.60 3min h GLN 53 Cb 0.05 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3min h GLN 53 CO -0.11 0.41 -0.03 0.93 -1.93 0.00 0.00 178.83 178.11 3min h GLU 54 N 0.64 -0.00 -0.55 1.69 5.08 0.07 -0.20 114.58 121.31 3min h GLU 54 Ca 0.41 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.72 3min h GLU 54 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3min h GLU 54 CO -0.31 -0.00 0.15 -0.07 -1.00 0.00 0.00 179.01 177.77 3min h LEU 55 N -0.00 0.83 -0.71 1.33 4.07 -0.92 -2.83 115.31 117.07 3min h LEU 55 Ca 0.05 -0.23 0.03 0.00 0.08 0.00 0.00 57.88 57.81 3min h LEU 55 Cb 0.08 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 3min h LEU 55 CO -0.11 0.84 0.45 -1.13 -1.08 0.00 0.00 178.44 177.41 3min h ASN 56 N 0.78 0.74 0.64 -0.43 -0.73 -0.31 -1.76 115.58 114.51 3min h ASN 56 Ca 0.17 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.34 3min h ASN 56 Cb 0.32 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.75 3min h ASN 56 CO -0.00 0.52 0.00 0.49 -0.37 0.00 0.00 177.43 178.07 3min n PHE 57 N -4.65 0.00 1.19 0.67 3.01 -0.12 -2.65 117.46 114.91 3min n PHE 57 Ca 0.07 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.66 3min n PHE 57 Cb 0.07 -0.38 0.41 0.00 -0.01 0.00 0.00 39.48 39.58 3min n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3min n GLN 58 N -1.38 0.49 -1.63 -1.08 6.02 -0.66 -4.93 117.38 114.20 3min n GLN 58 Ca 0.09 -0.25 -0.45 0.00 -0.01 0.00 0.00 57.00 56.39 3min n GLN 58 Cb 0.24 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.99 3min n GLN 58 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3min n ARG 59 N -1.04 1.67 0.00 -1.09 1.74 -1.09 -4.92 116.66 111.94 3min n ARG 59 Ca 0.10 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 3min n ARG 59 Cb 0.33 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 3min n ARG 59 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3min n GLU 60 N 1.16 2.10 -0.05 5.56 1.02 -1.26 -4.92 120.64 124.26 3min n GLU 60 Ca 0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.19 3min n GLU 60 Cb 0.32 -0.93 -0.08 0.00 -0.02 0.00 0.00 31.44 30.73 3min n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3min n ALA 61 N -2.01 1.76 -2.72 0.62 0.00 -1.26 -5.00 120.51 111.91 3min n ALA 61 Ca 0.00 -0.63 -0.38 0.00 0.00 0.00 0.00 53.44 52.43 3min n ALA 61 Cb 0.43 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 3min n ALA 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3min s LEU 62 N -4.74 4.29 -0.10 0.00 2.96 -1.26 -5.06 118.68 114.76 3min s LEU 62 Ca -0.05 0.92 0.02 0.00 -0.22 0.00 0.00 54.13 54.79 3min s LEU 62 Cb 0.03 -2.80 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 3min s LEU 62 CO 0.39 -0.03 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.35 3min s THR 63 N 0.65 2.86 -0.12 3.68 2.01 -1.26 -4.95 115.64 118.51 3min s THR 63 Ca 0.29 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.55 3min s THR 63 Cb -0.16 -2.16 0.02 0.00 0.01 0.00 0.00 72.50 70.21 3min s THR 63 CO 0.12 0.55 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.79 3min s VAL 64 N 0.07 1.31 -0.73 3.82 1.01 -1.26 -4.87 120.40 119.75 3min s VAL 64 Ca -0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3min s VAL 64 Cb -0.15 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.98 3min s VAL 64 CO 0.05 0.41 0.68 0.59 0.00 0.00 0.00 175.10 176.83 3min n ASN 65 N 4.58 -7.44 -4.75 3.32 3.02 -1.26 -3.05 115.26 109.69 3min n ASN 65 Ca -0.17 -0.15 -0.31 0.00 -0.03 0.00 0.00 54.58 53.92 3min n ASN 65 Cb 0.50 -4.85 0.10 0.00 -0.61 0.00 0.00 39.78 34.93 3min n ASN 65 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3min s PRO 66 N -3.21 2.06 -0.43 3.52 0.04 -1.26 -1.25 135.00 134.47 3min s PRO 66 Ca 0.02 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.41 3min s PRO 66 Cb -0.00 -1.87 0.42 0.00 0.04 0.00 0.00 34.50 33.09 3min s PRO 66 CO 0.77 -1.81 1.08 0.00 0.04 0.00 0.00 177.00 177.08 3min n ALA 67 N -3.53 4.78 -3.55 8.56 0.00 -1.26 -4.83 120.51 120.66 3min n ALA 67 Ca 0.10 -4.15 -0.08 0.00 0.00 0.00 0.00 53.44 49.30 3min n ALA 67 Cb 0.53 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 3min n ALA 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3min s LYS 68 N -3.46 1.09 0.04 0.00 -2.85 -1.26 -4.47 119.74 108.82 3min s LYS 68 Ca 0.45 -0.46 0.00 0.00 -1.00 0.00 0.00 55.97 54.96 3min s LYS 68 Cb 0.40 0.46 -0.00 0.00 -2.06 0.00 0.00 37.83 36.63 3min s LYS 68 CO -0.15 -0.48 0.01 0.00 0.10 0.00 0.00 175.35 174.83 3min n ALA 69 N -0.34 0.06 -2.80 0.59 0.00 -1.26 -5.02 120.51 111.75 3min n ALA 69 Ca -0.10 -0.21 -0.24 0.00 0.00 0.00 0.00 53.44 52.89 3min n ALA 69 Cb 0.62 0.14 -0.02 0.00 0.00 0.00 0.00 19.45 20.19 3min n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3min h GLN 71 N 1.28 -0.07 -0.06 0.00 4.20 -1.81 -2.29 115.11 116.37 3min h GLN 71 Ca -0.50 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.23 3min h GLN 71 Cb 1.21 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 3min h GLN 71 CO 0.63 -0.05 0.12 -1.00 -0.67 0.00 0.00 178.83 177.87 3min h PRO 72 N -0.07 0.00 -0.79 1.46 0.13 -1.81 -1.60 132.00 129.32 3min h PRO 72 Ca 0.27 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.42 3min h PRO 72 Cb 0.56 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.65 3min h PRO 72 CO -0.87 0.00 0.52 1.25 -0.23 0.00 0.00 178.00 178.67 3min h LEU 73 N 0.00 0.89 -0.32 1.56 5.85 -1.73 -1.08 115.31 120.48 3min h LEU 73 Ca 0.03 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 3min h LEU 73 Cb 0.27 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3min h LEU 73 CO -0.00 0.64 -0.49 1.23 -0.34 0.00 0.00 178.44 179.48 3min h GLY 74 N 1.05 0.98 1.01 3.75 0.00 -1.30 -2.64 103.07 105.93 3min h GLY 74 Ca 0.30 -1.10 0.05 0.00 0.00 0.00 0.00 47.33 46.57 3min h GLY 74 CO -0.08 0.99 0.55 0.00 0.00 0.00 0.00 176.54 178.00 3min h ALA 75 N 0.71 1.52 -0.23 3.60 0.00 -1.22 -0.46 119.26 123.18 3min h ALA 75 Ca 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3min h ALA 75 Cb 1.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3min h ALA 75 CO 0.11 0.38 -0.10 0.28 0.00 0.00 0.00 179.25 179.92 3min h VAL 76 N 0.99 1.30 -0.52 0.00 2.07 -1.10 -1.57 116.25 117.42 3min h VAL 76 Ca 0.34 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 3min h VAL 76 Cb 0.10 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3min h VAL 76 CO -0.11 0.36 0.17 0.25 0.02 0.00 0.00 177.57 178.26 3min h LEU 77 N 0.19 0.70 0.17 2.57 5.85 -1.04 -1.53 115.31 122.23 3min h LEU 77 Ca 0.05 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3min h LEU 77 Cb 0.59 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3min h LEU 77 CO 0.03 0.66 -0.08 0.00 -0.34 0.00 0.00 178.44 178.71 3min h ALA 79 N 0.42 1.18 -0.10 0.00 0.00 -0.97 -0.90 119.26 118.88 3min h ALA 79 Ca -0.02 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3min h ALA 79 Cb 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3min h ALA 79 CO 0.04 0.01 0.15 1.25 0.00 0.00 0.00 179.25 180.70 3min h LEU 80 N 0.70 0.00 -0.07 0.00 5.85 -1.25 -1.98 115.31 118.56 3min h LEU 80 Ca 0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.13 3min h LEU 80 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3min h LEU 80 CO -0.29 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.42 3min n GLY 81 N -1.31 -0.93 3.79 3.75 0.00 -0.34 -4.56 105.19 105.59 3min n GLY 81 Ca -0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 3min n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3min s PHE 82 N -2.00 3.21 0.03 1.61 0.40 -0.75 -0.96 117.98 119.53 3min s PHE 82 Ca 0.45 0.08 -0.30 0.00 -0.60 0.00 0.00 56.93 56.56 3min s PHE 82 Cb 0.21 -1.62 -0.09 0.00 0.51 0.00 0.00 43.02 42.03 3min s PHE 82 CO 0.35 0.53 1.98 -2.00 0.70 0.00 0.00 175.22 176.77 3min s GLU 83 N -2.50 4.13 -1.49 0.44 2.12 -0.23 -2.99 118.70 118.19 3min s GLU 83 Ca 0.30 2.61 -0.04 0.00 0.36 0.00 0.00 54.97 58.20 3min s GLU 83 Cb -0.12 -4.17 0.04 0.00 0.26 0.00 0.00 34.13 30.14 3min s GLU 83 CO 0.23 -0.97 0.47 1.63 -0.54 0.00 0.00 175.26 176.07 3min n LYS 84 N 7.57 -3.08 -4.28 4.30 5.02 -1.26 -4.66 118.16 121.77 3min n LYS 84 Ca 0.20 0.37 -0.28 0.00 -2.02 0.00 0.00 58.31 56.58 3min n LYS 84 Cb 0.41 -4.58 -0.10 0.00 -0.02 0.00 0.00 35.03 30.75 3min n LYS 84 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3min s THR 85 N -3.85 3.19 -0.27 -0.18 -4.23 -1.16 -0.36 115.64 108.79 3min s THR 85 Ca 0.17 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 59.06 3min s THR 85 Cb -0.09 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 3min s THR 85 CO 0.91 -0.03 0.08 -0.32 -0.54 0.00 0.00 174.62 174.71 3min s MET 86 N -2.61 3.41 0.22 3.99 1.75 -0.69 -4.82 119.30 120.55 3min s MET 86 Ca 0.23 -0.64 -0.31 0.00 -1.25 0.00 0.00 55.69 53.71 3min s MET 86 Cb -0.10 -3.36 -0.12 0.00 2.84 0.00 0.00 34.83 34.10 3min s MET 86 CO 0.14 -0.31 1.67 -1.25 -0.65 0.00 0.00 175.02 174.62 3min s PRO 87 N 1.57 4.14 -0.08 4.11 0.04 -1.26 -1.15 135.00 142.37 3min s PRO 87 Ca 0.05 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.66 3min s PRO 87 Cb -0.16 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.33 3min s PRO 87 CO 0.03 -0.70 -0.06 -0.47 0.04 0.00 0.00 177.00 175.85 3min s TYR 88 N 0.86 1.10 -0.22 0.56 6.14 0.08 -1.13 117.35 124.74 3min s TYR 88 Ca 0.71 -0.44 -0.02 0.00 0.64 0.00 0.00 57.07 57.97 3min s TYR 88 Cb -0.48 -0.96 0.01 0.00 0.42 0.00 0.00 41.96 40.95 3min s TYR 88 CO 0.36 -0.35 -0.10 0.08 0.64 0.00 0.00 175.55 176.18 3min s VAL 89 N 1.42 2.79 -0.26 3.14 1.01 -0.29 -0.31 120.40 127.90 3min s VAL 89 Ca -0.02 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 3min s VAL 89 Cb -0.13 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3min s VAL 89 CO -0.04 0.36 1.12 -2.28 0.00 0.00 0.00 175.10 174.26 3min s HIS 90 N 1.36 3.12 -2.34 5.22 2.46 0.29 -3.28 115.29 122.12 3min s HIS 90 Ca 0.03 1.23 0.00 0.00 0.47 0.00 0.00 55.06 56.79 3min s HIS 90 Cb -0.15 -3.54 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 3min s HIS 90 CO -0.06 -0.91 0.00 0.41 -2.47 0.00 0.00 174.74 171.70 3min n GLY 91 N 3.68 0.16 3.77 1.59 0.00 -1.26 -1.09 105.19 112.04 3min n GLY 91 Ca 0.13 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 3min n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3min s SER 92 N -4.00 7.31 0.46 1.61 0.01 -1.26 -1.29 113.70 116.53 3min s SER 92 Ca 0.00 1.55 0.23 0.00 1.31 0.00 0.00 55.95 59.04 3min s SER 92 Cb 0.00 -2.48 1.12 0.00 0.21 0.00 0.00 66.02 64.88 3min s SER 92 CO 0.00 0.15 1.94 0.06 0.41 0.00 0.00 173.24 175.80 3min h GLN 93 N 4.80 0.00 -0.93 12.44 3.07 -1.92 -3.10 115.11 129.47 3min h GLN 93 Ca -0.46 0.00 0.17 0.00 0.09 0.00 0.00 58.65 58.45 3min h GLN 93 Cb 1.21 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 28.69 3min h GLN 93 CO 0.67 0.21 0.60 0.78 0.09 0.00 0.00 178.83 181.18 3min h GLY 94 N 1.32 1.29 0.96 0.06 0.00 -1.97 -1.68 103.07 103.05 3min h GLY 94 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3min h GLY 94 CO 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 176.54 176.58 3min h VAL 96 N -0.06 1.21 -0.70 0.00 2.07 -1.50 0.23 116.25 117.50 3min h VAL 96 Ca 0.00 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.04 3min h VAL 96 Cb 0.06 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 3min h VAL 96 CO -0.01 0.23 0.46 0.00 0.02 0.00 0.00 177.57 178.27 3min h ALA 97 N 1.17 1.67 -0.11 1.67 0.00 -1.29 -0.86 119.26 121.51 3min h ALA 97 Ca 0.23 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 3min h ALA 97 Cb 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.64 3min h ALA 97 CO -0.04 0.24 -0.58 1.88 0.00 0.00 0.00 179.25 180.76 3min h TYR 98 N 0.78 0.79 -0.38 0.00 0.05 -0.69 -2.32 116.97 115.20 3min h TYR 98 Ca 0.29 -0.35 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3min h TYR 98 Cb 0.18 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 3min h TYR 98 CO -0.00 1.15 0.18 0.74 -1.05 0.00 0.00 178.16 179.18 3min h PHE 99 N 0.21 0.54 0.29 4.88 0.04 -0.50 -1.22 116.94 121.18 3min h PHE 99 Ca -0.04 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 3min h PHE 99 Cb 1.22 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.20 3min h PHE 99 CO 0.11 0.46 -0.14 0.00 -0.60 0.00 0.00 178.31 178.14 3min h ARG 100 N 0.47 -0.37 -0.90 1.51 3.08 -1.26 -2.62 114.38 114.30 3min h ARG 100 Ca 0.13 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3min h ARG 100 Cb 0.12 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3min h ARG 100 CO -0.02 -0.23 0.56 0.77 -1.07 0.00 0.00 179.97 179.98 3min h SER 101 N -0.41 1.06 -0.39 7.04 0.02 -1.26 0.51 113.55 120.12 3min h SER 101 Ca -0.04 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3min h SER 101 Cb 0.31 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3min h SER 101 CO 0.07 0.80 0.18 0.22 -1.14 0.00 0.00 176.83 176.95 3min h TYR 102 N 1.23 0.57 0.01 3.45 3.20 -1.19 -1.14 116.97 123.10 3min h TYR 102 Ca 0.32 -0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.94 3min h TYR 102 Cb -0.08 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 3min h TYR 102 CO 0.00 0.48 -0.94 0.74 -1.64 0.00 0.00 178.16 176.80 3min h PHE 103 N 0.49 0.46 -0.58 -3.82 0.04 -1.19 -3.06 116.94 109.29 3min h PHE 103 Ca 0.13 -0.26 0.08 0.00 2.80 0.00 0.00 57.97 60.72 3min h PHE 103 Cb 0.13 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 38.17 3min h PHE 103 CO -0.01 1.09 0.24 -0.91 -0.60 0.00 0.00 178.31 178.12 3min h ASN 104 N 0.16 0.27 -0.11 2.17 2.35 -0.64 0.00 115.58 119.79 3min h ASN 104 Ca -0.07 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3min h ASN 104 Cb 1.59 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.97 3min h ASN 104 CO 0.15 0.17 -0.05 0.03 -1.65 0.00 0.00 177.43 176.08 3min h ARG 105 N 0.44 0.38 0.20 0.81 -0.00 -1.23 0.24 114.38 115.22 3min h ARG 105 Ca 0.29 -0.08 -0.33 0.00 -0.50 0.00 0.00 59.98 59.35 3min h ARG 105 Cb 0.31 -0.06 0.02 0.00 0.00 0.00 0.00 29.97 30.24 3min h ARG 105 CO -0.26 0.45 -1.61 1.25 0.00 0.00 0.00 179.97 179.79 3min h HIS 106 N 0.36 0.76 0.00 3.04 2.76 -1.19 -3.37 115.15 117.52 3min h HIS 106 Ca 0.08 -0.56 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 3min h HIS 106 Cb 0.33 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.26 3min h HIS 106 CO 0.01 1.63 -1.01 1.19 -1.30 0.00 0.00 177.93 178.45 3min n PHE 107 N -3.68 0.21 -3.75 5.26 3.72 -0.11 -4.67 117.46 114.43 3min n PHE 107 Ca -0.22 0.06 -0.23 0.00 -0.05 0.00 0.00 57.45 57.01 3min n PHE 107 Cb 1.06 -0.37 0.02 0.00 -0.94 0.00 0.00 39.48 39.24 3min n PHE 107 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3min n ARG 108 N -1.88 -4.10 -3.92 -1.08 1.74 0.85 -4.99 116.66 103.28 3min n ARG 108 Ca 0.02 0.56 -0.08 0.00 -0.77 0.00 0.00 57.85 57.58 3min n ARG 108 Cb 0.42 -4.93 -0.08 0.00 -1.02 0.00 0.00 32.46 26.85 3min n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3min s GLU 109 N -6.08 0.77 0.43 5.56 0.41 -1.23 -5.07 118.70 113.50 3min s GLU 109 Ca 0.05 -1.01 -0.26 0.00 -0.41 0.00 0.00 54.97 53.35 3min s GLU 109 Cb -0.02 0.30 -0.09 0.00 -1.78 0.00 0.00 34.13 32.55 3min s GLU 109 CO 0.83 -0.22 1.37 -2.30 -0.49 0.00 0.00 175.26 174.45 3min n PRO 110 N 0.02 2.14 -3.76 0.39 -0.02 -1.26 -4.40 135.00 128.12 3min n PRO 110 Ca -0.15 0.76 -0.28 0.00 -2.02 0.00 0.00 63.50 61.81 3min n PRO 110 Cb 0.62 -2.53 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 3min n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3min s VAL 111 N -1.19 0.67 -0.08 -1.45 1.01 -1.26 -4.92 120.40 113.18 3min s VAL 111 Ca 0.61 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 3min s VAL 111 Cb -0.48 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 3min s VAL 111 CO 0.58 -0.21 0.30 -0.44 0.00 0.00 0.00 175.10 175.33 3min s SER 112 N 1.79 6.59 -0.25 3.32 0.01 -1.26 -4.86 113.70 119.04 3min s SER 112 Ca -0.01 0.70 -0.27 0.00 1.31 0.00 0.00 55.95 57.67 3min s SER 112 Cb -0.17 -2.18 0.15 0.00 0.21 0.00 0.00 66.02 64.02 3min s SER 112 CO -0.08 0.29 1.15 0.00 0.41 0.00 0.00 173.24 175.01 3min s VAL 114 N -0.36 1.80 0.27 0.00 -7.23 -0.29 -5.01 120.40 109.58 3min s VAL 114 Ca 0.03 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.19 3min s VAL 114 Cb -0.03 -2.75 -0.06 0.00 0.56 0.00 0.00 36.38 34.10 3min s VAL 114 CO -0.06 -0.11 -0.05 -0.55 -0.31 0.00 0.00 175.10 174.02 3min s SER 115 N -3.58 2.59 -0.33 4.85 0.15 -1.26 -1.13 113.70 114.99 3min s SER 115 Ca 0.34 -1.19 0.07 0.00 0.70 0.00 0.00 55.95 55.87 3min s SER 115 Cb 0.07 -0.14 0.48 0.00 -1.71 0.00 0.00 66.02 64.72 3min s SER 115 CO 0.16 -0.37 1.44 -0.90 1.20 0.00 0.00 173.24 174.77 3min n ASP 116 N -0.55 3.54 -3.62 5.45 5.68 -1.21 -4.91 116.55 120.94 3min n ASP 116 Ca -0.05 -3.80 -0.17 0.00 -0.50 0.00 0.00 54.79 50.26 3min n ASP 116 Cb 0.63 -0.59 0.01 0.00 -1.14 0.00 0.00 41.12 40.03 3min n ASP 116 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3min n SER 117 N -1.00 -1.86 -4.70 -1.12 7.64 -1.23 -4.80 113.62 106.55 3min n SER 117 Ca 0.38 -0.52 -0.42 0.00 1.01 0.00 0.00 58.87 59.32 3min n SER 117 Cb 0.95 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 3min n SER 117 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3min s MET 118 N -5.16 4.35 0.27 1.43 -1.94 -0.42 -4.93 119.30 112.90 3min s MET 118 Ca 0.14 1.85 0.02 0.00 -1.71 0.00 0.00 55.69 56.00 3min s MET 118 Cb -0.08 -3.46 0.02 0.00 2.01 0.00 0.00 34.83 33.32 3min s MET 118 CO 0.41 -0.43 0.18 0.25 -0.01 0.00 0.00 175.02 175.42 3min n THR 119 N 4.34 0.00 -0.28 2.05 -2.24 -1.26 -4.36 114.28 112.52 3min n THR 119 Ca 0.11 -1.09 0.05 0.00 -2.27 0.00 0.00 64.05 60.85 3min n THR 119 Cb 0.45 -0.22 0.11 0.00 -2.10 0.00 0.00 70.33 68.57 3min n THR 119 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3min n GLU 120 N -1.09 -0.07 -0.27 -0.78 -0.58 -1.26 -1.63 120.64 114.95 3min n GLU 120 Ca -0.02 1.22 -0.05 0.00 -0.42 0.00 0.00 57.16 57.88 3min n GLU 120 Cb 0.31 -1.82 0.06 0.00 -0.57 0.00 0.00 31.44 29.42 3min n GLU 120 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 3min h ASP 121 N 0.00 0.97 0.22 1.62 3.04 -1.98 -2.46 116.42 117.82 3min h ASP 121 Ca 0.38 -0.12 -0.02 0.00 -3.24 0.00 0.00 57.03 54.03 3min h ASP 121 Cb 0.58 -0.25 -0.00 0.00 -1.04 0.00 0.00 39.33 38.62 3min h ASP 121 CO -0.80 0.81 -0.12 0.00 -2.04 0.00 0.00 179.24 177.09 3min h ALA 122 N 1.20 1.51 0.00 4.15 0.00 -1.53 -0.96 119.26 123.63 3min h ALA 122 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3min h ALA 122 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3min h ALA 122 CO -0.04 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3min h ALA 123 N 1.88 1.00 0.00 0.00 0.00 -1.36 0.48 119.26 121.27 3min h ALA 123 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3min h ALA 123 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3min h ALA 123 CO 0.02 0.00 -1.69 0.28 0.00 0.00 0.00 179.25 177.85 3min n VAL 124 N -2.68 0.69 0.22 0.00 0.31 -0.42 -4.72 118.33 111.74 3min n VAL 124 Ca -0.01 -0.39 0.04 0.00 -0.01 0.00 0.00 64.34 63.97 3min n VAL 124 Cb 0.12 -0.79 0.05 0.00 -0.91 0.00 0.00 33.84 32.32 3min n VAL 124 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3min n PHE 125 N -2.49 0.08 0.00 3.52 3.72 -0.86 -5.11 117.46 116.32 3min n PHE 125 Ca -0.18 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 3min n PHE 125 Cb 0.80 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 3min n PHE 125 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3min n GLY 126 N 0.39 -0.85 1.78 1.37 0.00 0.17 -4.75 105.19 103.30 3min n GLY 126 Ca 0.05 -1.65 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 3min n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3min n GLY 127 N -0.87 4.98 0.18 -0.02 0.00 -1.26 -4.47 105.19 103.73 3min n GLY 127 Ca 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 3min n GLY 127 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3min h GLN 128 N 1.20 -0.36 -0.10 1.61 5.75 -1.96 -2.29 115.11 118.97 3min h GLN 128 Ca 0.44 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.99 3min h GLN 128 Cb 2.01 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 30.64 3min h GLN 128 CO 0.84 -0.15 0.07 0.37 -2.65 0.00 0.00 178.83 177.31 3min h GLN 129 N -0.51 0.01 -0.34 1.69 5.75 -1.96 0.42 115.11 120.17 3min h GLN 129 Ca -0.04 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3min h GLN 129 Cb 0.38 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 3min h GLN 129 CO 0.06 0.01 0.14 -0.91 -2.65 0.00 0.00 178.83 175.48 3min h ASN 130 N 0.01 0.47 -0.42 -0.69 2.35 -1.78 -0.60 115.58 114.91 3min h ASN 130 Ca 0.05 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3min h ASN 130 Cb 0.17 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3min h ASN 130 CO -0.00 0.50 0.21 0.24 -1.65 0.00 0.00 177.43 176.73 3min h MET 131 N 0.41 0.60 0.49 0.81 2.86 -0.40 0.24 114.93 119.94 3min h MET 131 Ca 0.11 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3min h MET 131 Cb 0.17 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3min h MET 131 CO -0.01 0.51 -0.33 0.87 1.06 0.00 0.00 176.91 179.01 3min h LYS 132 N 0.54 -0.76 -0.15 1.72 1.57 -1.08 -1.33 116.57 117.08 3min h LYS 132 Ca 0.15 0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.81 3min h LYS 132 Cb 0.10 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3min h LYS 132 CO -0.02 -0.51 -0.59 -0.44 -0.57 0.00 0.00 179.45 177.33 3min h ASP 133 N -0.79 0.56 0.54 0.86 3.32 -1.10 -2.96 116.42 116.85 3min h ASP 133 Ca -0.05 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 3min h ASP 133 Cb 0.66 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3min h ASP 133 CO 0.03 1.02 -0.38 1.23 -1.72 0.00 0.00 179.24 179.42 3min h GLY 134 N 1.13 -0.99 0.60 2.75 0.00 -0.46 0.14 103.07 106.23 3min h GLY 134 Ca -0.00 0.43 0.06 0.00 0.00 0.00 0.00 47.33 47.82 3min h GLY 134 CO 0.11 -0.35 0.16 1.41 0.00 0.00 0.00 176.54 177.87 3min h LEU 135 N -0.89 0.17 -0.54 3.11 3.38 -1.30 -0.95 115.31 118.28 3min h LEU 135 Ca -0.06 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3min h LEU 135 Cb 0.75 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3min h LEU 135 CO 0.03 0.13 0.29 -0.61 0.09 0.00 0.00 178.44 178.37 3min h GLN 136 N 0.33 0.75 -0.39 1.13 4.15 -1.34 -0.91 115.11 118.84 3min h GLN 136 Ca 0.21 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.47 3min h GLN 136 Cb 0.20 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3min h GLN 136 CO -0.21 0.59 -0.00 -0.91 -1.93 0.00 0.00 178.83 176.36 3min h ASN 137 N 0.72 0.68 -0.00 -0.69 2.35 -0.58 -1.69 115.58 116.37 3min h ASN 137 Ca 0.19 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3min h ASN 137 Cb 0.06 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 3min h ASN 137 CO -0.03 0.83 0.00 0.00 -1.65 0.00 0.00 177.43 176.58 3min h LYS 139 N -0.16 0.94 -0.22 0.00 3.64 -1.03 0.43 116.57 120.17 3min h LYS 139 Ca 0.00 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3min h LYS 139 Cb 0.17 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3min h LYS 139 CO -0.00 0.62 -0.17 0.00 -2.27 0.00 0.00 179.45 177.63 3min h ALA 140 N 1.36 0.32 0.21 5.00 0.00 -1.21 -2.38 119.26 122.56 3min h ALA 140 Ca 0.34 -0.34 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 3min h ALA 140 Cb 0.08 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.82 3min h ALA 140 CO -0.14 0.22 -1.48 1.15 0.00 0.00 0.00 179.25 179.00 3min h THR 141 N 0.19 1.17 -0.01 0.00 2.02 -0.65 -3.37 112.91 112.26 3min h THR 141 Ca 0.04 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.64 3min h THR 141 Cb 0.70 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 3min h THR 141 CO 0.04 0.80 -0.60 -1.22 0.37 0.00 0.00 175.52 174.92 3min n TYR 142 N -3.75 0.00 -4.08 3.16 4.01 0.12 -5.03 117.16 111.58 3min n TYR 142 Ca -0.20 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.25 3min n TYR 142 Cb 1.04 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 40.03 3min n TYR 142 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3min n LYS 143 N -0.70 -2.22 -2.29 -0.72 5.02 -0.90 -4.98 118.16 111.38 3min n LYS 143 Ca 0.06 0.28 -0.33 0.00 -2.02 0.00 0.00 58.31 56.30 3min n LYS 143 Cb 0.34 -4.08 -0.01 0.00 -0.02 0.00 0.00 35.03 31.26 3min n LYS 143 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3min s PRO 144 N -6.87 3.62 0.23 1.97 0.04 -1.26 -4.95 135.00 127.78 3min s PRO 144 Ca 0.04 1.19 0.25 0.00 0.04 0.00 0.00 61.00 62.52 3min s PRO 144 Cb -0.02 -2.08 0.67 0.00 0.04 0.00 0.00 34.50 33.12 3min s PRO 144 CO 0.93 -0.56 1.69 -0.44 0.04 0.00 0.00 177.00 178.66 3min h ASP 145 N 0.90 0.00 -5.01 6.66 3.32 -0.97 -3.46 116.42 117.86 3min h ASP 145 Ca -0.48 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.45 3min h ASP 145 Cb 1.21 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.57 3min h ASP 145 CO 0.59 0.01 -0.20 -0.32 -1.72 0.00 0.00 179.24 177.61 3min s MET 146 N -3.13 0.77 -0.09 3.56 1.75 -1.17 -4.42 119.30 116.57 3min s MET 146 Ca 0.09 -0.22 0.03 0.00 -1.25 0.00 0.00 55.69 54.35 3min s MET 146 Cb 0.11 0.34 0.00 0.00 2.84 0.00 0.00 34.83 38.13 3min s MET 146 CO 0.63 -0.23 -0.20 0.42 -0.65 0.00 0.00 175.02 174.99 3min s ILE 147 N -1.68 1.74 -0.31 10.11 1.01 -0.52 -1.71 121.20 129.84 3min s ILE 147 Ca -0.11 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 3min s ILE 147 Cb -0.03 -1.52 0.03 0.00 0.01 0.00 0.00 42.46 40.95 3min s ILE 147 CO 0.03 0.49 0.05 0.00 0.00 0.00 0.00 174.94 175.51 3min s ALA 148 N 0.47 2.94 -0.08 9.38 0.00 -0.30 -3.40 121.76 130.77 3min s ALA 148 Ca -0.17 -1.66 -0.17 0.00 0.00 0.00 0.00 51.96 49.96 3min s ALA 148 Cb -0.17 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 3min s ALA 148 CO 0.07 -1.18 0.46 0.08 0.00 0.00 0.00 175.76 175.19 3min s VAL 149 N 1.37 5.13 0.03 0.00 1.01 -0.38 -0.74 120.40 126.82 3min s VAL 149 Ca -0.02 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3min s VAL 149 Cb -0.19 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 3min s VAL 149 CO 0.01 0.40 0.01 -0.24 0.00 0.00 0.00 175.10 175.28 3min n SER 150 N 3.15 1.02 -3.84 3.32 2.88 0.57 -1.57 113.62 119.16 3min n SER 150 Ca -0.09 -1.14 -0.12 0.00 -1.33 0.00 0.00 58.87 56.19 3min n SER 150 Cb 0.52 0.06 -0.11 0.00 -0.75 0.00 0.00 64.21 63.93 3min n SER 150 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3min s THR 151 N -1.60 0.04 0.32 2.46 2.01 -1.26 -0.55 115.64 117.06 3min s THR 151 Ca 0.01 -0.31 0.06 0.00 0.31 0.00 0.00 61.69 61.76 3min s THR 151 Cb 0.00 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.17 3min s THR 151 CO 0.01 -0.17 0.44 0.42 -0.69 0.00 0.00 174.62 174.63 3min s THR 152 N -0.58 4.29 0.42 -0.82 -4.23 -0.25 -4.49 115.64 109.99 3min s THR 152 Ca -0.07 -1.01 0.15 0.00 -1.18 0.00 0.00 61.69 59.59 3min s THR 152 Cb -0.04 -3.49 0.35 0.00 1.34 0.00 0.00 72.50 70.66 3min s THR 152 CO 0.01 -0.19 1.92 0.00 -0.54 0.00 0.00 174.62 175.81 3min h MET 154 N 0.43 -0.38 0.00 0.00 1.85 -1.95 0.84 114.93 115.73 3min h MET 154 Ca 0.38 0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.46 3min h MET 154 Cb 0.84 0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.95 3min h MET 154 CO -0.12 -0.25 -0.13 0.00 -0.40 0.00 0.00 176.91 176.01 3min h ALA 155 N 0.40 1.19 0.07 0.39 0.00 -1.57 -1.78 119.26 117.96 3min h ALA 155 Ca 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3min h ALA 155 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3min h ALA 155 CO -0.09 0.16 -0.03 0.93 0.00 0.00 0.00 179.25 180.22 3min h GLU 156 N 0.00 -0.09 -0.71 0.00 4.39 -0.76 -2.50 114.58 114.91 3min h GLU 156 Ca -0.00 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3min h GLU 156 Cb 0.42 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3min h GLU 156 CO 0.02 0.47 0.44 0.28 -1.16 0.00 0.00 179.01 179.05 3min h VAL 157 N -0.75 1.20 0.00 3.13 2.07 -0.39 -0.17 116.25 121.33 3min h VAL 157 Ca -0.01 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3min h VAL 157 Cb 0.60 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3min h VAL 157 CO 0.02 0.20 0.00 2.30 0.02 0.00 0.00 177.57 180.11 3min n ILE 158 N -4.55 0.00 -3.50 4.57 -5.35 -0.71 -4.91 119.36 104.91 3min n ILE 158 Ca 0.06 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.36 3min n ILE 158 Cb 0.05 -0.36 0.08 0.00 -1.74 0.00 0.00 39.64 37.66 3min n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3min n GLY 159 N 0.69 -0.34 3.70 3.28 0.00 -0.08 -4.95 105.19 107.48 3min n GLY 159 Ca 0.14 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3min n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3min s ASP 160 N -4.36 7.10 -0.81 1.61 1.11 -0.95 -4.95 116.67 115.43 3min s ASP 160 Ca 0.00 1.83 -0.25 0.00 0.18 0.00 0.00 52.55 54.32 3min s ASP 160 Cb -0.00 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.48 3min s ASP 160 CO 0.75 -0.51 1.25 -0.62 1.18 0.00 0.00 175.17 177.22 3min s ASP 161 N 1.29 6.28 0.20 0.27 -1.08 -1.26 -4.85 116.67 117.53 3min s ASP 161 Ca 0.56 -0.92 -0.10 0.00 -0.52 0.00 0.00 52.55 51.56 3min s ASP 161 Cb -0.25 -2.52 0.25 0.00 -1.46 0.00 0.00 42.92 38.94 3min s ASP 161 CO 0.24 -1.62 1.74 -0.07 0.52 0.00 0.00 175.17 175.98 3min h LEU 162 N 12.45 0.19 -0.56 -1.34 3.38 -1.98 -2.09 115.31 125.36 3min h LEU 162 Ca -0.13 0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3min h LEU 162 Cb 1.04 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 3min h LEU 162 CO 1.28 0.12 0.30 -1.13 0.09 0.00 0.00 178.44 179.11 3min h ASN 163 N 0.38 0.45 -0.08 -0.43 -1.24 -2.00 -0.03 115.58 112.63 3min h ASN 163 Ca 0.29 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.32 3min h ASN 163 Cb 0.36 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.34 3min h ASN 163 CO -0.30 0.31 0.03 0.00 -1.29 0.00 0.00 177.43 176.17 3min h ALA 164 N 1.29 0.11 -0.45 1.57 0.00 -1.86 -1.64 119.26 118.28 3min h ALA 164 Ca 0.24 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3min h ALA 164 Cb 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3min h ALA 164 CO -0.15 -0.28 0.25 0.74 0.00 0.00 0.00 179.25 179.80 3min h PHE 165 N -0.05 0.46 -0.61 0.00 -1.00 -1.05 0.29 116.94 114.97 3min h PHE 165 Ca 0.03 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 3min h PHE 165 Cb 0.21 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 3min h PHE 165 CO -0.00 0.25 0.04 0.82 -1.61 0.00 0.00 178.31 177.81 3min h ILE 166 N 0.49 1.26 -0.43 -0.55 2.04 -0.85 0.01 117.51 119.49 3min h ILE 166 Ca 0.19 -1.08 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 3min h ILE 166 Cb 0.06 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3min h ILE 166 CO -0.11 0.40 -0.08 0.78 0.00 0.00 0.00 178.15 179.13 3min h ASN 167 N 0.96 0.73 0.52 1.72 2.35 -0.43 -1.77 115.58 119.66 3min h ASN 167 Ca 0.18 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 3min h ASN 167 Cb 0.49 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3min h ASN 167 CO 0.02 0.85 -0.58 0.78 -1.65 0.00 0.00 177.43 176.85 3min h ASN 168 N 0.68 0.07 -0.19 5.81 -0.26 0.02 0.54 115.58 122.26 3min h ASN 168 Ca 0.12 -0.04 -0.12 0.00 -0.56 0.00 0.00 56.30 55.71 3min h ASN 168 Cb 0.54 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 3min h ASN 168 CO 0.03 0.64 -0.27 0.28 -1.06 0.00 0.00 177.43 177.04 3min h SER 169 N 0.05 0.68 -0.34 5.81 0.02 -0.56 -0.38 113.55 118.82 3min h SER 169 Ca -0.01 -0.26 -0.12 0.00 -0.84 0.00 0.00 61.79 60.56 3min h SER 169 Cb 1.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3min h SER 169 CO 0.08 0.93 -0.27 0.11 -1.14 0.00 0.00 176.83 176.53 3min h LYS 170 N 0.58 0.79 0.08 3.45 1.57 -0.92 0.08 116.57 122.20 3min h LYS 170 Ca 0.07 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.48 3min h LYS 170 Cb 0.76 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 3min h LYS 170 CO 0.06 1.02 -0.27 0.87 -0.57 0.00 0.00 179.45 180.56 3min h LYS 171 N 0.57 -0.44 0.00 3.15 1.57 -0.74 -2.00 116.57 118.68 3min h LYS 171 Ca 0.06 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3min h LYS 171 Cb 0.84 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3min h LYS 171 CO 0.07 -0.29 0.00 0.39 -0.57 0.00 0.00 179.45 179.05 3min n GLU 172 N -5.38 0.69 -1.94 3.15 4.71 -0.17 -4.89 120.64 116.82 3min n GLU 172 Ca -0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.03 3min n GLU 172 Cb 0.29 -1.44 -0.01 0.00 -1.01 0.00 0.00 31.44 29.28 3min n GLU 172 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3min n GLY 173 N 0.36 0.26 0.18 0.62 0.00 -0.75 -4.94 105.19 100.91 3min n GLY 173 Ca 0.14 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 3min n GLY 173 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3min h PHE 174 N 0.00 0.99 -3.95 1.61 0.04 -1.22 -3.45 116.94 110.96 3min h PHE 174 Ca -0.15 -0.57 -0.40 0.00 2.80 0.00 0.00 57.97 59.65 3min h PHE 174 Cb 0.98 -0.10 -0.21 0.00 2.20 0.00 0.00 35.95 38.81 3min h PHE 174 CO 0.17 1.41 -0.77 0.96 -0.60 0.00 0.00 178.31 179.48 3min s ILE 175 N -3.17 1.05 0.44 -0.55 -5.25 -1.23 -4.33 121.20 108.15 3min s ILE 175 Ca -0.10 -1.28 -0.26 0.00 -0.99 0.00 0.00 60.65 58.02 3min s ILE 175 Cb 0.06 -1.02 -0.09 0.00 2.95 0.00 0.00 42.46 44.36 3min s ILE 175 CO 0.92 -0.24 1.43 -2.16 -1.79 0.00 0.00 174.94 173.10 3min s PRO 176 N -1.72 3.75 0.50 0.37 0.04 -1.26 -4.37 135.00 132.31 3min s PRO 176 Ca -0.03 2.44 0.33 0.00 0.04 0.00 0.00 61.00 63.78 3min s PRO 176 Cb -0.10 -2.70 1.45 0.00 0.04 0.00 0.00 34.50 33.19 3min s PRO 176 CO 0.02 -0.78 1.77 0.22 0.04 0.00 0.00 177.00 178.28 3min h ASP 177 N 2.42 0.12 0.03 6.66 1.82 -1.96 -0.77 116.42 124.74 3min h ASP 177 Ca -0.51 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 3min h ASP 177 Cb 1.26 0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.28 3min h ASP 177 CO 0.62 0.01 -0.15 -0.62 -1.61 0.00 0.00 179.24 177.49 3min n GLU 178 N -4.30 1.60 -2.31 0.28 4.71 -1.26 -4.90 120.64 114.46 3min n GLU 178 Ca 0.27 -1.15 -0.42 0.00 -0.01 0.00 0.00 57.16 55.85 3min n GLU 178 Cb 1.22 -1.48 -0.03 0.00 -1.01 0.00 0.00 31.44 30.15 3min n GLU 178 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3min s PHE 179 N -2.20 3.06 -0.15 -0.32 5.36 -0.30 -4.94 117.98 118.50 3min s PHE 179 Ca 0.29 1.00 -0.29 0.00 -0.96 0.00 0.00 56.93 56.97 3min s PHE 179 Cb 0.20 -3.57 -0.04 0.00 -0.34 0.00 0.00 43.02 39.27 3min s PHE 179 CO 0.41 -1.98 1.68 -1.25 -1.46 0.00 0.00 175.22 172.62 3min s PRO 180 N 2.05 3.91 -0.53 10.12 0.04 -1.26 -4.93 135.00 144.39 3min s PRO 180 Ca 0.61 1.91 0.06 0.00 0.04 0.00 0.00 61.00 63.63 3min s PRO 180 Cb -0.30 -4.04 0.23 0.00 0.04 0.00 0.00 34.50 30.43 3min s PRO 180 CO 0.26 -1.17 0.60 0.28 0.04 0.00 0.00 177.00 177.01 3min n VAL 181 N 6.12 0.79 -1.62 -0.36 0.31 -1.26 -1.44 118.33 120.87 3min n VAL 181 Ca 0.19 -4.56 -0.34 0.00 -0.01 0.00 0.00 64.34 59.62 3min n VAL 181 Cb 0.44 -2.01 0.07 0.00 -0.91 0.00 0.00 33.84 31.43 3min n VAL 181 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3min s PRO 182 N -1.65 2.45 0.16 5.55 0.04 -1.22 -4.88 135.00 135.46 3min s PRO 182 Ca 0.36 1.67 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 3min s PRO 182 Cb 0.13 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 3min s PRO 182 CO -0.08 -1.58 0.14 -0.59 0.04 0.00 0.00 177.00 174.94 3min s PHE 183 N -2.01 0.81 -0.15 0.56 -0.71 -1.26 -1.25 117.98 113.97 3min s PHE 183 Ca 0.73 -1.15 -0.23 0.00 -1.04 0.00 0.00 56.93 55.24 3min s PHE 183 Cb -0.27 -0.38 0.06 0.00 -1.21 0.00 0.00 43.02 41.22 3min s PHE 183 CO 0.42 -0.62 0.59 0.00 -1.34 0.00 0.00 175.22 174.27 3min s ALA 184 N -4.06 -1.49 -0.20 1.99 0.00 -0.61 -4.46 121.76 112.93 3min s ALA 184 Ca 0.26 1.42 -0.18 0.00 0.00 0.00 0.00 51.96 53.46 3min s ALA 184 Cb 0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 3min s ALA 184 CO 0.04 -0.31 0.52 -1.01 0.00 0.00 0.00 175.76 175.00 3min s HIS 185 N -0.34 3.37 -0.60 0.00 3.76 -1.26 -4.10 115.29 116.12 3min s HIS 185 Ca -0.05 0.77 0.06 0.00 -0.15 0.00 0.00 55.06 55.69 3min s HIS 185 Cb -0.03 -2.67 0.24 0.00 1.11 0.00 0.00 32.58 31.23 3min s HIS 185 CO 0.04 -0.11 0.68 0.25 -0.85 0.00 0.00 174.74 174.75 3min n THR 186 N 4.58 1.72 -1.95 1.30 -2.24 -1.26 -4.94 114.28 111.50 3min n THR 186 Ca -0.05 -4.96 -0.42 0.00 -2.27 0.00 0.00 64.05 56.35 3min n THR 186 Cb 0.50 -2.08 -0.03 0.00 -2.10 0.00 0.00 70.33 66.63 3min n THR 186 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3min s PRO 187 N -2.12 3.95 0.53 -0.78 0.04 -1.26 -3.92 135.00 131.43 3min s PRO 187 Ca 0.38 2.07 0.28 0.00 0.04 0.00 0.00 61.00 63.77 3min s PRO 187 Cb 0.13 -4.07 1.55 0.00 0.04 0.00 0.00 34.50 32.15 3min s PRO 187 CO -0.05 -1.13 1.85 0.66 0.04 0.00 0.00 177.00 178.37 3min h SER 188 N 10.63 0.00 -0.37 6.66 4.64 -1.92 -0.65 113.55 132.54 3min h SER 188 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3min h SER 188 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3min h SER 188 CO 0.97 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 179.15 3min n PHE 189 N -2.64 0.48 -4.03 4.77 1.16 -1.26 -4.61 117.46 111.34 3min n PHE 189 Ca -0.02 -0.24 -0.31 0.00 -1.87 0.00 0.00 57.45 55.01 3min n PHE 189 Cb 0.22 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 37.94 3min n PHE 189 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3min s VAL 190 N -1.52 1.77 0.00 1.97 1.01 -0.25 -5.06 120.40 118.32 3min s VAL 190 Ca 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3min s VAL 190 Cb 0.19 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.80 3min s VAL 190 CO 0.27 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3min n GLY 191 N 4.66 2.75 0.67 4.51 0.00 -1.26 -4.75 105.19 111.77 3min n GLY 191 Ca -0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 3min n GLY 191 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3min n SER 192 N 5.14 -0.34 -0.33 1.61 3.41 -1.26 -4.81 113.62 117.02 3min n SER 192 Ca 0.00 -1.33 0.31 0.00 -0.26 0.00 0.00 58.87 57.59 3min n SER 192 Cb 0.00 0.60 0.58 0.00 -0.26 0.00 0.00 64.21 65.13 3min n SER 192 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3min h HIS 193 N 1.19 0.82 -0.40 7.33 2.07 -0.97 -0.47 115.15 124.73 3min h HIS 193 Ca -0.06 0.04 -0.11 0.00 -2.85 0.00 0.00 60.37 57.39 3min h HIS 193 Cb 0.23 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 30.00 3min h HIS 193 CO 0.00 -0.41 -0.22 -0.39 -3.07 0.00 0.00 177.93 173.84 3min h VAL 194 N 0.06 1.27 -0.68 6.12 -1.51 -1.87 -2.16 116.25 117.48 3min h VAL 194 Ca 0.83 -1.33 -0.01 0.00 -1.23 0.00 0.00 66.70 64.96 3min h VAL 194 Cb 2.20 1.20 -0.03 0.00 -2.13 0.00 0.00 31.29 32.52 3min h VAL 194 CO -0.72 0.44 0.37 0.74 -1.23 0.00 0.00 177.57 177.18 3min h THR 195 N 0.69 1.20 -0.25 7.19 2.02 -1.36 -1.01 112.91 121.38 3min h THR 195 Ca 0.10 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 3min h THR 195 Cb 0.73 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3min h THR 195 CO 0.06 0.22 -0.11 1.23 0.37 0.00 0.00 175.52 177.29 3min h GLY 196 N 0.99 0.45 0.58 2.16 0.00 -1.15 0.12 103.07 106.23 3min h GLY 196 Ca 0.24 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 3min h GLY 196 CO -0.04 0.27 -0.04 -0.25 0.00 0.00 0.00 176.54 176.48 3min h TRP 197 N 0.39 -0.11 -0.33 5.60 7.01 -0.78 -1.43 115.95 126.30 3min h TRP 197 Ca 0.08 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.13 3min h TRP 197 Cb 0.43 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.48 3min h TRP 197 CO 0.01 0.29 0.03 0.22 -2.79 0.00 0.00 178.44 176.20 3min h ASP 198 N -0.53 -0.06 -0.77 2.65 3.58 -0.83 -0.15 116.42 120.30 3min h ASP 198 Ca -0.01 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.51 3min h ASP 198 Cb 0.45 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 3min h ASP 198 CO 0.02 0.00 0.51 0.78 -2.88 0.00 0.00 179.24 177.67 3min h ASN 199 N 0.13 0.89 -0.14 2.28 2.35 -0.78 -0.52 115.58 119.80 3min h ASN 199 Ca 0.16 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3min h ASN 199 Cb 0.20 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 3min h ASN 199 CO -0.24 0.65 -0.02 -0.03 -1.65 0.00 0.00 177.43 176.14 3min h MET 200 N 1.05 0.26 -0.39 0.81 4.05 -0.68 -1.10 114.93 118.92 3min h MET 200 Ca 0.28 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 3min h MET 200 Cb -0.12 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.65 3min h MET 200 CO -0.06 0.53 0.21 0.35 0.23 0.00 0.00 176.91 178.17 3min h PHE 201 N -0.03 0.54 -0.47 1.39 3.57 -0.68 -0.59 116.94 120.67 3min h PHE 201 Ca 0.04 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.58 3min h PHE 201 Cb 0.42 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 3min h PHE 201 CO 0.05 0.42 0.17 1.49 -2.23 0.00 0.00 178.31 178.20 3min h GLU 202 N 0.51 0.33 -0.30 1.11 4.22 -1.08 0.74 114.58 120.11 3min h GLU 202 Ca 0.14 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.61 3min h GLU 202 Cb 0.06 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 3min h GLU 202 CO -0.02 0.22 -0.01 0.78 -2.18 0.00 0.00 179.01 177.80 3min h GLY 203 N 0.34 0.28 1.27 1.92 0.00 -0.30 0.09 103.07 106.67 3min h GLY 203 Ca 0.22 0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.47 3min h GLY 203 CO -0.23 -0.07 -0.22 -2.22 0.00 0.00 0.00 176.54 173.80 3min h ILE 204 N 0.08 1.27 -0.21 2.60 2.04 -0.49 -1.50 117.51 121.30 3min h ILE 204 Ca 0.14 -1.35 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 3min h ILE 204 Cb 0.19 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3min h ILE 204 CO -0.25 0.46 -0.07 0.00 0.00 0.00 0.00 178.15 178.29 3min h ALA 205 N 1.02 0.29 -0.55 1.87 0.00 -0.42 -2.44 119.26 119.03 3min h ALA 205 Ca 0.10 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3min h ALA 205 Cb 0.75 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3min h ALA 205 CO 0.06 0.09 0.29 -0.09 0.00 0.00 0.00 179.25 179.60 3min h ARG 206 N 0.13 0.53 -0.52 0.00 2.43 -0.91 -2.05 114.38 113.99 3min h ARG 206 Ca 0.05 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3min h ARG 206 Cb 0.53 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3min h ARG 206 CO 0.02 0.35 0.29 -0.92 -1.51 0.00 0.00 179.97 178.21 3min h TYR 207 N 0.55 0.54 0.00 2.20 3.20 -1.06 -0.41 116.97 121.99 3min h TYR 207 Ca 0.25 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3min h TYR 207 Cb 0.15 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3min h TYR 207 CO -0.10 0.29 -0.33 1.19 -1.64 0.00 0.00 178.16 177.57 3min n PHE 208 N -4.83 0.21 -0.00 -3.82 3.72 -0.94 -4.66 117.46 107.14 3min n PHE 208 Ca 0.04 0.06 -0.01 0.00 -0.05 0.00 0.00 57.45 57.49 3min n PHE 208 Cb 0.11 -0.48 -0.00 0.00 -0.94 0.00 0.00 39.48 38.17 3min n PHE 208 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3min n THR 209 N -1.70 0.05 -0.23 4.37 -1.04 -0.79 -4.60 114.28 110.34 3min n THR 209 Ca 0.05 -0.01 -0.05 0.00 -2.04 0.00 0.00 64.05 62.00 3min n THR 209 Cb 0.37 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 3min n THR 209 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3min h LEU 210 N -0.02 -1.28 -2.62 -4.42 5.85 -1.26 0.10 115.31 111.67 3min h LEU 210 Ca -0.02 0.24 -0.16 0.00 0.84 0.00 0.00 57.88 58.78 3min h LEU 210 Cb 1.02 0.63 -0.10 0.00 0.37 0.00 0.00 40.66 42.58 3min h LEU 210 CO -0.01 -0.31 0.20 0.29 -0.34 0.00 0.00 178.44 178.28 3min n LYS 211 N -5.43 1.69 0.00 1.25 4.76 -1.26 -3.53 118.16 115.63 3min n LYS 211 Ca 0.04 -1.17 0.00 0.00 -2.87 0.00 0.00 58.31 54.31 3min n LYS 211 Cb 0.36 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 3min n LYS 211 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3min n SER 212 N -0.06 0.23 0.02 4.39 7.64 0.35 -4.89 113.62 121.30 3min n SER 212 Ca 0.21 -0.66 0.22 0.00 1.01 0.00 0.00 58.87 59.65 3min n SER 212 Cb 0.89 0.17 0.71 0.00 -1.01 0.00 0.00 64.21 64.97 3min n SER 212 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3min h MET 213 N 0.00 0.00 0.00 1.43 2.86 -1.58 -3.19 114.93 114.45 3min h MET 213 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3min h MET 213 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3min h MET 213 CO 0.00 0.00 0.01 -0.40 1.06 0.00 0.00 176.91 177.58 3min n ASP 214 N -3.70 0.00 -0.21 1.22 5.75 -1.26 -1.72 116.55 116.63 3min n ASP 214 Ca 0.11 0.14 0.02 0.00 -0.01 0.00 0.00 54.79 55.05 3min n ASP 214 Cb 0.78 -0.14 0.03 0.00 -1.03 0.00 0.00 41.12 40.76 3min n ASP 214 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3min n ASP 215 N -1.11 0.71 -4.67 -1.12 5.75 -1.21 -5.06 116.55 109.85 3min n ASP 215 Ca 0.00 -1.93 -0.37 0.00 -0.01 0.00 0.00 54.79 52.48 3min n ASP 215 Cb 0.01 -0.16 -0.08 0.00 -1.03 0.00 0.00 41.12 39.86 3min n ASP 215 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3min s LYS 216 N -0.68 4.15 -0.32 0.11 -0.14 -0.70 -5.03 119.74 117.13 3min s LYS 216 Ca 0.06 0.06 -0.06 0.00 -1.36 0.00 0.00 55.97 54.67 3min s LYS 216 Cb 0.05 -3.53 0.03 0.00 -1.68 0.00 0.00 37.83 32.71 3min s LYS 216 CO 0.01 0.02 0.09 0.08 -0.76 0.00 0.00 175.35 174.78 3min s VAL 217 N 1.16 3.77 -0.33 3.17 1.01 -1.26 -4.95 120.40 122.98 3min s VAL 217 Ca 0.16 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 3min s VAL 217 Cb -0.14 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 3min s VAL 217 CO 0.07 -0.09 2.28 0.52 0.00 0.00 0.00 175.10 177.87 3min n VAL 218 N 4.82 0.21 0.00 2.92 0.31 -1.26 -2.12 118.33 123.20 3min n VAL 218 Ca -0.13 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 3min n VAL 218 Cb 0.46 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 3min n VAL 218 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3min n GLY 219 N 6.01 1.68 0.30 2.92 0.00 -0.50 -4.83 105.19 110.77 3min n GLY 219 Ca 0.35 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.54 3min n GLY 219 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3min h SER 220 N 0.68 0.00 0.36 1.61 4.64 -0.87 0.35 113.55 120.32 3min h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3min h SER 220 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3min h SER 220 CO 0.00 0.03 -0.43 -0.46 -0.87 0.00 0.00 176.83 175.10 3min n ASN 221 N -3.46 0.77 -1.76 4.97 6.94 -0.90 -4.96 115.26 116.87 3min n ASN 221 Ca -0.02 -0.57 -0.18 0.00 -0.02 0.00 0.00 54.58 53.79 3min n ASN 221 Cb 0.14 0.25 -0.03 0.00 -2.36 0.00 0.00 39.78 37.78 3min n ASN 221 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3min n LYS 222 N -1.13 -1.34 -3.83 -3.83 5.02 0.11 -5.00 118.16 108.15 3min n LYS 222 Ca 0.08 0.96 -0.22 0.00 -2.02 0.00 0.00 58.31 57.11 3min n LYS 222 Cb 0.34 -5.35 -0.05 0.00 -0.02 0.00 0.00 35.03 29.96 3min n LYS 222 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3min s LYS 223 N -4.35 2.51 -0.06 1.97 1.02 -1.26 -4.57 119.74 115.01 3min s LYS 223 Ca 0.00 -1.50 0.06 0.00 0.02 0.00 0.00 55.97 54.54 3min s LYS 223 Cb 0.00 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 3min s LYS 223 CO 0.00 -0.03 -0.24 -1.50 -0.92 0.00 0.00 175.35 172.66 3min s ILE 224 N -2.43 2.11 0.15 2.17 1.10 -0.39 -0.32 121.20 123.59 3min s ILE 224 Ca 0.43 -1.05 -0.15 0.00 -0.51 0.00 0.00 60.65 59.36 3min s ILE 224 Cb -0.03 -1.77 -0.07 0.00 0.15 0.00 0.00 42.46 40.75 3min s ILE 224 CO 0.26 0.57 0.57 0.20 -2.11 0.00 0.00 174.94 174.43 3min s ASN 225 N -0.18 6.88 -0.10 4.50 0.01 -0.50 -1.11 114.94 124.44 3min s ASN 225 Ca -0.03 1.14 0.02 0.00 -0.71 0.00 0.00 52.86 53.28 3min s ASN 225 Cb -0.14 -2.31 0.01 0.00 0.41 0.00 0.00 41.25 39.22 3min s ASN 225 CO 0.04 0.11 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.94 3min s ILE 226 N -1.43 1.56 -0.27 0.60 1.09 0.27 -0.25 121.20 122.76 3min s ILE 226 Ca 0.37 -0.69 -0.02 0.00 -1.10 0.00 0.00 60.65 59.21 3min s ILE 226 Cb -0.16 -1.41 0.03 0.00 -1.06 0.00 0.00 42.46 39.87 3min s ILE 226 CO 0.19 0.45 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.77 3min s VAL 227 N 0.87 3.03 0.17 2.92 1.01 -0.10 -1.62 120.40 126.68 3min s VAL 227 Ca -0.09 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 60.77 3min s VAL 227 Cb -0.15 -2.62 -0.13 0.00 0.00 0.00 0.00 36.38 33.47 3min s VAL 227 CO 0.00 0.07 1.40 1.55 0.00 0.00 0.00 175.10 178.12 3min h PRO 228 N 8.03 0.28 0.00 2.72 0.13 -1.85 -0.39 132.00 140.92 3min h PRO 228 Ca -0.28 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3min h PRO 228 Cb 1.09 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3min h PRO 228 CO 0.56 0.96 0.00 0.41 -0.23 0.00 0.00 178.00 179.70 3min n GLY 229 N 0.75 -2.39 3.65 1.56 0.00 -1.26 -4.05 105.19 103.45 3min n GLY 229 Ca -0.04 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 43.97 3min n GLY 229 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3min n PHE 230 N -0.84 2.36 -3.67 1.61 -0.00 -1.26 -4.95 117.46 110.71 3min n PHE 230 Ca 0.00 -0.23 -0.18 0.00 -0.00 0.00 0.00 57.45 57.04 3min n PHE 230 Cb 0.00 -2.75 -0.17 0.00 -0.00 0.00 0.00 39.48 36.56 3min n PHE 230 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3min s GLU 231 N 4.72 -0.02 -0.19 -4.13 2.56 -1.26 -5.04 118.70 115.34 3min s GLU 231 Ca 0.92 0.48 0.16 0.00 0.00 0.00 0.00 54.97 56.53 3min s GLU 231 Cb -0.50 -0.39 0.47 0.00 2.00 0.00 0.00 34.13 35.71 3min s GLU 231 CO 0.44 -0.32 1.36 0.25 -0.56 0.00 0.00 175.26 176.43 3min n THR 232 N 5.31 2.24 -4.20 -1.70 -2.24 -1.26 -4.90 114.28 107.53 3min n THR 232 Ca -0.04 -2.13 -0.33 0.00 -2.27 0.00 0.00 64.05 59.28 3min n THR 232 Cb 0.50 -0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.30 3min n THR 232 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3min s TYR 233 N -2.92 2.75 0.25 4.78 2.02 -1.26 -4.80 117.35 118.18 3min s TYR 233 Ca 0.40 -1.60 -0.04 0.00 -0.37 0.00 0.00 57.07 55.46 3min s TYR 233 Cb 0.34 -1.90 0.35 0.00 -0.40 0.00 0.00 41.96 40.35 3min s TYR 233 CO 0.06 -0.78 1.88 -0.07 -1.57 0.00 0.00 175.55 175.07 3min h LEU 234 N 7.85 0.99 -2.29 -1.29 4.07 -1.33 -2.64 115.31 120.67 3min h LEU 234 Ca -0.44 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.52 3min h LEU 234 Cb 1.15 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.68 3min h LEU 234 CO 0.63 0.65 -0.04 1.23 -1.08 0.00 0.00 178.44 179.83 3min h GLY 235 N 1.14 0.00 0.66 0.83 0.00 -1.37 -2.17 103.07 102.15 3min h GLY 235 Ca 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.66 3min h GLY 235 CO -0.15 0.00 -0.23 3.43 0.00 0.00 0.00 176.54 179.58 3min h ASN 236 N 0.00 0.34 -0.76 0.19 2.35 -1.58 0.13 115.58 116.24 3min h ASN 236 Ca -0.00 -0.61 0.01 0.00 -0.55 0.00 0.00 56.30 55.15 3min h ASN 236 Cb 0.11 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 3min h ASN 236 CO 0.01 0.89 0.50 -0.26 -1.65 0.00 0.00 177.43 176.92 3min h PHE 237 N -0.19 0.95 -0.23 1.19 0.04 -1.54 -2.50 116.94 114.67 3min h PHE 237 Ca -0.01 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.65 3min h PHE 237 Cb 0.85 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3min h PHE 237 CO 0.12 0.60 -0.42 0.00 -0.60 0.00 0.00 178.31 178.01 3min h ARG 238 N 1.03 0.55 -0.07 1.51 3.08 -1.36 -2.89 114.38 116.23 3min h ARG 238 Ca 0.28 -0.29 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3min h ARG 238 Cb -0.11 0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3min h ARG 238 CO -0.07 0.87 -0.81 -0.24 -1.07 0.00 0.00 179.97 178.65 3min h VAL 239 N 0.45 1.35 -0.51 2.04 3.04 -0.39 -2.05 116.25 120.18 3min h VAL 239 Ca 0.04 -2.17 -0.02 0.00 -1.01 0.00 0.00 66.70 63.54 3min h VAL 239 Cb 0.92 2.16 -0.02 0.00 -2.01 0.00 0.00 31.29 32.34 3min h VAL 239 CO 0.08 0.66 0.25 0.40 -1.01 0.00 0.00 177.57 177.95 3min h ILE 240 N 0.34 1.19 -0.44 3.17 1.08 -1.46 -0.83 117.51 120.56 3min h ILE 240 Ca -0.05 -0.53 -0.06 0.00 -0.39 0.00 0.00 64.86 63.82 3min h ILE 240 Cb 1.42 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 3min h ILE 240 CO 0.15 0.21 0.02 0.11 -0.69 0.00 0.00 178.15 177.95 3min h LYS 241 N 0.67 0.71 -0.35 2.37 1.57 -1.41 -2.36 116.57 117.78 3min h LYS 241 Ca 0.17 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3min h LYS 241 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3min h LYS 241 CO -0.02 0.72 0.03 -0.09 -0.57 0.00 0.00 179.45 179.51 3min h ARG 242 N 0.67 0.60 -0.40 3.15 1.12 -0.88 -1.49 114.38 117.15 3min h ARG 242 Ca 0.14 -0.17 -0.09 0.00 -1.11 0.00 0.00 59.98 58.74 3min h ARG 242 Cb 0.39 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.28 3min h ARG 242 CO 0.01 0.69 -0.11 0.52 -3.11 0.00 0.00 179.97 177.98 3min h MET 243 N 0.42 0.78 -0.25 0.20 2.86 -0.96 -0.16 114.93 117.82 3min h MET 243 Ca 0.10 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 3min h MET 243 Cb 0.40 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3min h MET 243 CO 0.01 0.92 -0.02 -0.07 1.06 0.00 0.00 176.91 178.81 3min h LEU 244 N 0.59 0.45 -1.10 1.22 3.38 -1.43 -1.71 115.31 116.71 3min h LEU 244 Ca 0.10 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.78 3min h LEU 244 Cb 0.64 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3min h LEU 244 CO 0.04 0.67 0.61 0.28 0.09 0.00 0.00 178.44 180.13 3min h SER 245 N 0.21 1.00 -1.00 -0.43 0.02 -1.17 -1.47 113.55 110.70 3min h SER 245 Ca 0.07 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3min h SER 245 Cb 0.45 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 3min h SER 245 CO 0.02 0.68 0.66 -0.33 -1.14 0.00 0.00 176.83 176.71 3min h GLU 246 N 1.15 1.21 -0.00 3.45 5.08 -0.60 -1.21 114.58 123.67 3min h GLU 246 Ca 0.37 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3min h GLU 246 Cb 0.04 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.01 3min h GLU 246 CO -0.12 0.80 0.00 -1.33 -1.00 0.00 0.00 179.01 177.37 3min n MET 247 N -4.45 1.00 -1.74 2.33 2.81 -0.65 -4.78 117.12 111.64 3min n MET 247 Ca 0.14 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.86 3min n MET 247 Cb 0.12 -1.29 -0.05 0.00 -0.71 0.00 0.00 33.22 31.28 3min n MET 247 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3min n GLY 248 N 0.79 1.06 3.71 3.03 0.00 -0.46 -4.70 105.19 108.62 3min n GLY 248 Ca 0.14 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3min n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3min s VAL 249 N -2.68 5.17 0.07 1.61 1.01 -0.65 -5.01 120.40 119.92 3min s VAL 249 Ca 0.00 0.98 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 3min s VAL 249 Cb 0.00 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3min s VAL 249 CO 0.00 0.29 1.10 -0.83 0.00 0.00 0.00 175.10 175.66 3min s GLY 250 N 0.74 2.68 0.18 4.51 0.00 -1.26 -4.42 107.32 109.76 3min s GLY 250 Ca 0.26 0.74 -0.04 0.00 0.00 0.00 0.00 44.72 45.68 3min s GLY 250 CO 0.10 1.82 0.18 -2.52 0.00 0.00 0.00 173.10 172.68 3min s TYR 251 N 0.70 0.84 -0.19 1.90 1.13 -1.26 -1.27 117.35 119.20 3min s TYR 251 Ca 0.54 -1.15 -0.04 0.00 -1.41 0.00 0.00 57.07 55.01 3min s TYR 251 Cb -0.27 -0.36 0.07 0.00 -1.10 0.00 0.00 41.96 40.30 3min s TYR 251 CO 0.30 -0.66 0.09 0.45 -2.51 0.00 0.00 175.55 173.21 3min s SER 252 N -3.08 2.60 -0.47 -0.18 0.15 -0.26 -4.84 113.70 107.62 3min s SER 252 Ca 0.29 -0.74 -0.25 0.00 0.70 0.00 0.00 55.95 55.95 3min s SER 252 Cb 0.06 -0.32 0.03 0.00 -1.71 0.00 0.00 66.02 64.07 3min s SER 252 CO 0.07 -0.35 0.89 -0.22 1.20 0.00 0.00 173.24 174.82 3min s LEU 253 N 2.08 4.08 -0.44 3.45 2.96 -1.26 -0.57 118.68 128.98 3min s LEU 253 Ca 0.02 -0.00 -0.18 0.00 -0.22 0.00 0.00 54.13 53.75 3min s LEU 253 Cb -0.16 -3.09 0.03 0.00 0.50 0.00 0.00 46.19 43.47 3min s LEU 253 CO -0.12 -1.04 0.51 -0.76 -1.32 0.00 0.00 176.35 173.61 3min s LEU 254 N 3.67 4.83 0.00 -0.68 1.43 -0.64 -4.35 118.68 122.94 3min s LEU 254 Ca 0.34 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3min s LEU 254 Cb -0.11 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3min s LEU 254 CO 0.25 -0.68 0.00 -0.24 0.23 0.00 0.00 176.35 175.91 3min n SER 255 N 5.83 -1.49 -3.77 2.29 2.88 -1.26 -4.27 113.62 113.83 3min n SER 255 Ca -0.06 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.18 3min n SER 255 Cb 0.47 -0.74 -0.14 0.00 -0.75 0.00 0.00 64.21 63.05 3min n SER 255 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3min s ASP 256 N 0.00 3.93 0.00 -3.46 2.15 -0.14 -4.72 116.67 114.44 3min s ASP 256 Ca 0.00 -2.29 0.25 0.00 0.43 0.00 0.00 52.55 50.94 3min s ASP 256 Cb 0.00 -1.08 1.01 0.00 -0.30 0.00 0.00 42.92 42.55 3min s ASP 256 CO 0.00 -0.32 1.71 -0.81 -0.17 0.00 0.00 175.17 175.57 3min n PRO 257 N 4.00 1.59 0.30 4.34 -0.04 -1.26 -3.29 135.00 140.65 3min n PRO 257 Ca 0.05 -0.88 0.18 0.00 -0.04 0.00 0.00 63.50 62.81 3min n PRO 257 Cb 0.37 -1.44 1.00 0.00 -0.04 0.00 0.00 33.50 33.40 3min n PRO 257 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3min h GLU 258 N 1.96 0.00 0.03 0.54 4.11 -1.93 -1.23 114.58 118.06 3min h GLU 258 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 3min h GLU 258 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3min h GLU 258 CO 0.00 0.00 -0.24 0.93 0.07 0.00 0.00 179.01 179.77 3min h GLU 259 N 0.00 0.07 0.00 1.06 4.39 -1.80 -3.26 114.58 115.04 3min h GLU 259 Ca 0.01 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3min h GLU 259 Cb 0.04 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3min h GLU 259 CO -0.00 1.06 -0.08 -0.39 -1.16 0.00 0.00 179.01 178.43 3min h VAL 260 N -0.85 0.49 -0.45 3.13 -1.51 -1.45 -1.57 116.25 114.03 3min h VAL 260 Ca -0.05 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3min h VAL 260 Cb 1.16 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 3min h VAL 260 CO 0.03 0.08 0.00 0.18 -1.23 0.00 0.00 177.57 176.63 3min n LEU 261 N -3.60 3.65 -2.70 4.19 4.77 -0.50 -4.34 117.00 118.46 3min n LEU 261 Ca -0.02 -1.84 -0.07 0.00 -0.03 0.00 0.00 56.01 54.05 3min n LEU 261 Cb 0.20 -0.51 0.12 0.00 -2.33 0.00 0.00 43.42 40.90 3min n LEU 261 CO 0.29 0.58 0.52 -0.67 -1.33 0.00 0.00 177.39 176.78 3min n ASP 262 N 0.67 -1.87 -4.79 -1.43 2.03 -0.61 -4.95 116.55 105.60 3min n ASP 262 Ca 0.18 -2.42 -0.35 0.00 0.52 0.00 0.00 54.79 52.72 3min n ASP 262 Cb 0.71 1.01 -0.02 0.00 -0.72 0.00 0.00 41.12 42.10 3min n ASP 262 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3min s THR 263 N 0.19 3.56 0.56 5.18 -4.23 -1.10 -4.92 115.64 114.89 3min s THR 263 Ca 0.21 1.00 -0.19 0.00 -1.18 0.00 0.00 61.69 61.53 3min s THR 263 Cb 0.39 -3.42 -0.05 0.00 1.34 0.00 0.00 72.50 70.76 3min s THR 263 CO -0.09 -0.18 1.16 -2.16 -0.54 0.00 0.00 174.62 172.80 3min s PRO 264 N -3.16 3.25 -0.73 3.99 0.04 -1.26 -4.99 135.00 132.14 3min s PRO 264 Ca 0.68 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 63.25 3min s PRO 264 Cb -0.20 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.53 3min s PRO 264 CO 0.23 -0.95 0.72 0.00 0.04 0.00 0.00 177.00 177.04 3min s ALA 265 N -1.71 3.82 -0.12 8.56 0.00 -1.26 -4.82 121.76 126.23 3min s ALA 265 Ca 0.74 -2.94 0.15 0.00 0.00 0.00 0.00 51.96 49.91 3min s ALA 265 Cb -0.26 -3.50 0.35 0.00 0.00 0.00 0.00 23.12 19.70 3min s ALA 265 CO 0.29 -2.28 1.17 -0.40 0.00 0.00 0.00 175.76 174.53 3min n ASP 266 N 4.83 1.50 0.00 0.00 5.75 -1.26 -4.98 116.55 122.39 3min n ASP 266 Ca 0.05 -3.09 0.00 0.00 -0.01 0.00 0.00 54.79 51.73 3min n ASP 266 Cb 0.45 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 3min n ASP 266 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3min n GLY 267 N -0.71 1.01 2.94 6.12 0.00 -1.26 -5.04 105.19 108.25 3min n GLY 267 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3min n GLY 267 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3min s GLN 268 N -0.93 0.23 -0.07 1.61 -2.07 -1.26 -5.13 119.66 112.04 3min s GLN 268 Ca 0.00 -0.32 -0.21 0.00 -1.82 0.00 0.00 55.36 53.01 3min s GLN 268 Cb 0.00 -0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.81 3min s GLN 268 CO 0.00 0.01 0.59 0.12 -1.32 0.00 0.00 175.29 174.69 3min s PHE 269 N -0.66 3.58 -0.30 9.60 5.36 -1.26 -4.90 117.98 129.40 3min s PHE 269 Ca -0.06 1.10 -0.04 0.00 -0.96 0.00 0.00 56.93 56.97 3min s PHE 269 Cb -0.05 -2.66 0.03 0.00 -0.34 0.00 0.00 43.02 40.01 3min s PHE 269 CO -0.00 0.19 0.04 1.03 -1.46 0.00 0.00 175.22 175.01 3min s ARG 270 N 0.47 2.74 0.22 10.12 0.52 -1.26 -5.00 118.95 126.76 3min s ARG 270 Ca 0.31 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 3min s ARG 270 Cb -0.17 -3.27 0.20 0.00 0.52 0.00 0.00 34.95 32.23 3min s ARG 270 CO 0.15 -0.54 1.55 1.98 0.02 0.00 0.00 175.30 178.46 3min h MET 271 N 8.13 0.44 -6.56 3.54 1.85 -2.00 -3.44 114.93 116.89 3min h MET 271 Ca -0.27 -0.27 -0.64 0.00 -0.61 0.00 0.00 59.70 57.92 3min h MET 271 Cb 1.09 0.03 -0.20 0.00 0.43 0.00 0.00 31.60 32.95 3min h MET 271 CO 0.58 0.86 -0.83 0.71 -0.40 0.00 0.00 176.91 177.82 3min s TYR 272 N -3.98 2.17 -0.28 1.39 2.02 -1.26 -4.89 117.35 112.52 3min s TYR 272 Ca -0.06 -0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 56.04 3min s TYR 272 Cb 0.12 -1.12 0.11 0.00 -0.40 0.00 0.00 41.96 40.66 3min s TYR 272 CO 0.82 0.39 0.88 0.00 -1.57 0.00 0.00 175.55 176.07 3min s ALA 273 N -1.47 -1.99 0.00 3.71 0.00 -1.26 -4.96 121.76 115.79 3min s ALA 273 Ca 0.16 2.10 0.00 0.00 0.00 0.00 0.00 51.96 54.22 3min s ALA 273 Cb -0.09 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.58 3min s ALA 273 CO 0.07 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3min n GLY 274 N 3.11 3.27 0.00 0.00 0.00 -1.26 -3.31 105.19 107.01 3min n GLY 274 Ca -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3min n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3min n GLY 275 N 0.00 -1.51 3.72 -0.02 0.00 -1.21 -3.99 105.19 102.18 3min n GLY 275 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 3min n GLY 275 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3min s THR 276 N -2.81 3.12 0.53 2.61 2.01 -0.23 -4.24 115.64 116.63 3min s THR 276 Ca 0.00 0.79 -0.15 0.00 0.31 0.00 0.00 61.69 62.65 3min s THR 276 Cb 0.00 -3.51 -0.07 0.00 0.01 0.00 0.00 72.50 68.93 3min s THR 276 CO 0.00 0.06 0.98 0.42 -0.69 0.00 0.00 174.62 175.39 3min s THR 277 N 1.16 4.59 0.36 -0.82 -4.23 -1.26 -1.06 115.64 114.38 3min s THR 277 Ca 0.66 1.09 0.04 0.00 -1.18 0.00 0.00 61.69 62.31 3min s THR 277 Cb -0.39 -3.76 0.28 0.00 1.34 0.00 0.00 72.50 69.97 3min s THR 277 CO 0.30 -0.79 1.99 1.56 -0.54 0.00 0.00 174.62 177.15 3min h GLN 278 N 0.65 0.76 -0.83 3.99 4.20 -1.95 -1.31 115.11 120.62 3min h GLN 278 Ca -0.46 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.16 3min h GLN 278 Cb 1.19 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 3min h GLN 278 CO 0.62 0.51 0.37 0.93 -0.67 0.00 0.00 178.83 180.58 3min h GLU 279 N 0.79 1.21 -0.79 1.46 4.39 -1.99 -0.54 114.58 119.11 3min h GLU 279 Ca 0.26 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3min h GLU 279 Cb 0.07 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 3min h GLU 279 CO -0.07 0.95 0.48 0.93 -1.16 0.00 0.00 179.01 180.14 3min h GLU 280 N 1.19 1.07 -0.37 2.33 5.08 -1.63 -1.28 114.58 120.97 3min h GLU 280 Ca 0.28 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 3min h GLU 280 Cb 0.16 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3min h GLU 280 CO -0.03 0.75 -0.13 0.52 -1.00 0.00 0.00 179.01 179.12 3min h MET 281 N 1.08 0.67 -0.45 2.33 2.86 -0.92 0.12 114.93 120.62 3min h MET 281 Ca 0.28 -0.22 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 3min h MET 281 Cb -0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3min h MET 281 CO -0.05 0.77 -0.23 0.87 1.06 0.00 0.00 176.91 179.33 3min h LYS 282 N 0.61 0.95 0.00 1.72 1.57 -0.81 -3.20 116.57 117.40 3min h LYS 282 Ca 0.10 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3min h LYS 282 Cb 0.57 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3min h LYS 282 CO 0.04 1.08 0.00 0.22 -0.57 0.00 0.00 179.45 180.22 3min h ASP 283 N 0.79 0.00 -0.66 0.86 1.82 -0.96 -3.38 116.42 114.90 3min h ASP 283 Ca 0.10 0.00 0.19 0.00 -0.39 0.00 0.00 57.03 56.93 3min h ASP 283 Cb 0.80 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.79 3min h ASP 283 CO 0.07 0.00 0.69 0.00 -1.61 0.00 0.00 179.24 178.39 3min h ALA 284 N 2.09 2.44 -0.78 -0.78 0.00 -0.97 0.93 119.26 122.19 3min h ALA 284 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3min h ALA 284 Cb 0.93 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3min h ALA 284 CO 0.00 -1.03 0.50 -1.35 0.00 0.00 0.00 179.25 177.38 3min h PRO 285 N 0.00 0.97 0.00 0.00 0.11 -1.82 -3.09 132.00 128.17 3min h PRO 285 Ca 0.31 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3min h PRO 285 Cb 1.69 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.58 3min h PRO 285 CO -0.00 0.64 0.00 0.09 -0.21 0.00 0.00 178.00 178.52 3min n ASN 286 N -4.58 0.00 -4.81 -2.05 4.13 0.32 -4.43 115.26 103.84 3min n ASN 286 Ca 0.09 -0.02 -0.33 0.00 1.68 0.00 0.00 54.58 56.00 3min n ASN 286 Cb 0.06 -0.05 -0.01 0.00 -1.54 0.00 0.00 39.78 38.25 3min n ASN 286 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3min s ALA 287 N -2.10 2.85 0.21 5.41 0.00 -1.17 -1.41 121.76 125.54 3min s ALA 287 Ca 0.04 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 3min s ALA 287 Cb 0.02 -3.20 0.18 0.00 0.00 0.00 0.00 23.12 20.12 3min s ALA 287 CO 0.03 -0.61 1.86 -0.07 0.00 0.00 0.00 175.76 176.98 3min h LEU 288 N 0.66 0.78 -7.84 0.00 3.38 -0.91 -2.86 115.31 108.51 3min h LEU 288 Ca -0.47 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 57.64 3min h LEU 288 Cb 1.21 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 3min h LEU 288 CO 0.59 0.55 0.50 0.21 0.09 0.00 0.00 178.44 180.38 3min s ASN 289 N -5.80 -0.07 -0.07 -0.43 3.84 -1.25 -4.68 114.94 106.47 3min s ASN 289 Ca -0.13 -0.62 0.01 0.00 0.21 0.00 0.00 52.86 52.33 3min s ASN 289 Cb 0.15 0.54 0.02 0.00 -0.55 0.00 0.00 41.25 41.41 3min s ASN 289 CO 0.77 -1.05 -0.10 -0.89 -2.79 0.00 0.00 177.10 173.05 3min s THR 290 N -2.66 1.03 -0.11 -5.21 2.01 -1.26 -1.40 115.64 108.03 3min s THR 290 Ca 0.17 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.76 3min s THR 290 Cb -0.02 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 3min s THR 290 CO 0.05 0.34 -0.04 0.54 -0.69 0.00 0.00 174.62 174.81 3min s VAL 291 N 0.93 3.87 -0.41 3.82 0.11 0.66 -4.40 120.40 124.97 3min s VAL 291 Ca -0.10 -0.39 -0.15 0.00 -2.93 0.00 0.00 61.98 58.41 3min s VAL 291 Cb -0.15 -2.64 0.02 0.00 -1.53 0.00 0.00 36.38 32.08 3min s VAL 291 CO 0.01 0.55 0.31 -0.76 -3.33 0.00 0.00 175.10 171.87 3min s LEU 292 N -0.25 5.15 0.39 2.54 1.43 -1.26 -0.93 118.68 125.75 3min s LEU 292 Ca 0.04 -0.94 0.18 0.00 -1.03 0.00 0.00 54.13 52.38 3min s LEU 292 Cb -0.13 -2.16 0.78 0.00 0.03 0.00 0.00 46.19 44.71 3min s LEU 292 CO 0.02 -0.47 1.80 -0.07 0.23 0.00 0.00 176.35 177.87 3min h LEU 293 N 8.64 0.00 -6.13 1.79 3.38 -1.31 -3.32 115.31 118.36 3min h LEU 293 Ca -0.27 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.12 3min h LEU 293 Cb 1.12 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.46 3min h LEU 293 CO 0.74 0.36 -0.84 0.00 0.09 0.00 0.00 178.44 178.79 3min n GLN 294 N -3.73 1.61 0.17 1.13 6.02 -1.26 -3.84 117.38 117.48 3min n GLN 294 Ca -0.01 -3.95 0.06 0.00 -0.01 0.00 0.00 57.00 53.08 3min n GLN 294 Cb 0.45 -1.76 0.54 0.00 1.02 0.00 0.00 30.24 30.49 3min n GLN 294 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3min h PRO 295 N 4.16 0.17 0.00 -1.09 0.13 -1.85 -2.89 132.00 130.63 3min h PRO 295 Ca 0.14 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3min h PRO 295 Cb 0.77 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3min h PRO 295 CO 0.65 0.16 0.00 0.91 -0.23 0.00 0.00 178.00 179.49 3min n TRP 296 N -4.46 0.04 -1.40 1.56 7.02 -1.26 -1.56 117.44 117.38 3min n TRP 296 Ca -0.01 0.02 0.07 0.00 -1.02 0.00 0.00 57.50 56.56 3min n TRP 296 Cb 0.12 -0.53 0.13 0.00 -2.42 0.00 0.00 31.31 28.61 3min n TRP 296 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 3min n HIS 297 N -1.54 0.00 -1.61 -5.99 1.44 -1.09 -4.72 115.22 101.71 3min n HIS 297 Ca 0.02 -0.93 0.06 0.00 -2.01 0.00 0.00 57.72 54.86 3min n HIS 297 Cb 0.10 -0.16 0.15 0.00 0.12 0.00 0.00 29.99 30.20 3min n HIS 297 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3min n LEU 298 N -1.05 2.19 -0.29 2.39 4.77 -0.60 -4.36 117.00 120.05 3min n LEU 298 Ca 0.14 -3.23 0.01 0.00 -0.03 0.00 0.00 56.01 52.90 3min n LEU 298 Cb 0.69 -0.39 0.14 0.00 -2.33 0.00 0.00 43.42 41.52 3min n LEU 298 CO -0.01 1.02 1.16 -0.33 -1.33 0.00 0.00 177.39 177.90 3min h GLU 299 N 0.67 0.84 -0.55 3.23 5.08 -1.85 -1.04 114.58 120.96 3min h GLU 299 Ca -0.03 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3min h GLU 299 Cb 1.15 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3min h GLU 299 CO 0.01 0.56 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.34 3min h LYS 300 N 0.87 0.97 -0.34 2.33 3.64 -1.92 -1.68 116.57 120.43 3min h LYS 300 Ca 0.36 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3min h LYS 300 Cb 0.21 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3min h LYS 300 CO -0.19 0.97 -0.14 1.15 -2.27 0.00 0.00 179.45 178.97 3min h THR 301 N 0.88 1.25 0.48 1.00 2.02 -1.64 -1.96 112.91 114.94 3min h THR 301 Ca 0.16 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 3min h THR 301 Cb 0.55 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3min h THR 301 CO 0.03 0.37 -0.23 0.50 0.37 0.00 0.00 175.52 176.56 3min h LYS 302 N 0.56 -0.63 -0.96 6.66 3.64 -0.53 0.98 116.57 126.28 3min h LYS 302 Ca 0.10 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.69 3min h LYS 302 Cb 0.56 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.42 3min h LYS 302 CO 0.04 -0.36 0.57 0.87 -2.27 0.00 0.00 179.45 178.29 3min h LYS 303 N -0.77 0.73 -0.11 1.90 1.57 -1.26 0.27 116.57 118.90 3min h LYS 303 Ca -0.07 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.54 3min h LYS 303 Cb 0.55 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3min h LYS 303 CO 0.11 0.48 -0.44 0.35 -0.57 0.00 0.00 179.45 179.39 3min h PHE 304 N 0.75 0.66 -0.53 -1.35 3.57 -1.06 -0.10 116.94 118.87 3min h PHE 304 Ca 0.54 -0.28 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 3min h PHE 304 Cb 0.79 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3min h PHE 304 CO -0.03 1.04 -0.03 0.28 -2.23 0.00 0.00 178.31 177.34 3min h VAL 305 N 0.09 1.26 0.22 1.41 2.07 0.19 0.26 116.25 121.76 3min h VAL 305 Ca -0.02 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 3min h VAL 305 Cb 1.07 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3min h VAL 305 CO 0.09 0.40 -0.11 -0.33 0.02 0.00 0.00 177.57 177.64 3min h GLU 306 N 0.85 -0.29 -0.66 1.57 5.08 -1.05 -1.71 114.58 118.36 3min h GLU 306 Ca 0.15 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3min h GLU 306 Cb 0.54 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3min h GLU 306 CO 0.03 0.06 0.44 0.78 -1.00 0.00 0.00 179.01 179.32 3min h GLY 307 N -0.94 0.93 0.00 -3.84 0.00 -0.98 -1.18 103.07 97.06 3min h GLY 307 Ca -0.03 -0.34 -0.31 0.00 0.00 0.00 0.00 47.33 46.64 3min h GLY 307 CO 0.05 0.34 -2.16 2.41 0.00 0.00 0.00 176.54 177.17 3min n THR 308 N -4.63 1.17 0.53 4.70 -1.04 0.08 -4.52 114.28 110.57 3min n THR 308 Ca 0.05 -0.42 0.13 0.00 -2.04 0.00 0.00 64.05 61.77 3min n THR 308 Cb 0.02 -1.30 0.36 0.00 -1.82 0.00 0.00 70.33 67.58 3min n THR 308 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 3min h TRP 309 N -0.12 0.00 -5.45 -1.42 4.06 -1.31 -3.48 115.95 108.24 3min h TRP 309 Ca -0.47 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.18 3min h TRP 309 Cb 1.67 0.00 0.16 0.00 -1.00 0.00 0.00 29.16 29.99 3min h TRP 309 CO 0.01 0.00 -0.74 1.63 -3.56 0.00 0.00 178.44 175.78 3min n LYS 310 N -2.46 -5.80 -4.75 0.49 4.76 -0.44 -4.88 118.16 105.08 3min n LYS 310 Ca 0.05 0.81 -0.33 0.00 -2.87 0.00 0.00 58.31 55.97 3min n LYS 310 Cb 0.45 -5.69 -0.13 0.00 -1.84 0.00 0.00 35.03 27.82 3min n LYS 310 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3min s HIS 311 N -3.35 2.82 -1.06 2.13 3.76 -1.04 -4.99 115.29 113.56 3min s HIS 311 Ca 0.05 -0.19 -0.16 0.00 -0.15 0.00 0.00 55.06 54.62 3min s HIS 311 Cb -0.01 -1.72 0.16 0.00 1.11 0.00 0.00 32.58 32.13 3min s HIS 311 CO 0.69 0.15 1.25 -1.21 -0.85 0.00 0.00 174.74 174.78 3min s GLU 312 N -0.50 3.85 -0.04 1.40 2.02 -1.26 -4.04 118.70 120.14 3min s GLU 312 Ca 0.07 -2.23 -0.30 0.00 0.02 0.00 0.00 54.97 52.52 3min s GLU 312 Cb -0.12 -4.95 -0.08 0.00 0.10 0.00 0.00 34.13 29.08 3min s GLU 312 CO 0.02 -1.73 2.03 0.28 0.02 0.00 0.00 175.26 175.88 3min n VAL 313 N 4.91 0.65 -1.74 2.63 0.31 -1.26 -4.85 118.33 118.98 3min n VAL 313 Ca 0.29 -0.21 -0.39 0.00 -0.01 0.00 0.00 64.34 64.02 3min n VAL 313 Cb 0.46 -2.32 0.04 0.00 -0.91 0.00 0.00 33.84 31.10 3min n VAL 313 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3min n PRO 314 N 7.75 1.80 -1.65 5.55 -0.02 -1.26 -4.89 135.00 142.28 3min n PRO 314 Ca 0.23 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.95 3min n PRO 314 Cb 0.40 -2.57 -0.01 0.00 -0.02 0.00 0.00 33.50 31.30 3min n PRO 314 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3min n LYS 315 N -0.80 3.13 -4.34 -0.52 0.00 -1.26 -4.87 118.16 109.51 3min n LYS 315 Ca 0.09 -2.54 -0.34 0.00 0.00 0.00 0.00 58.31 55.51 3min n LYS 315 Cb 0.44 -3.14 -0.10 0.00 0.00 0.00 0.00 35.03 32.23 3min n LYS 315 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3min s LEU 316 N 1.51 3.50 0.79 3.14 1.43 -1.26 -5.11 118.68 122.69 3min s LEU 316 Ca 0.53 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.56 3min s LEU 316 Cb 0.15 -1.82 0.07 0.00 0.03 0.00 0.00 46.19 44.61 3min s LEU 316 CO -0.08 0.28 1.13 0.20 0.23 0.00 0.00 176.35 178.11 3min s ASN 317 N -0.31 4.64 0.17 2.29 -0.87 -1.26 -4.73 114.94 114.86 3min s ASN 317 Ca 0.06 1.04 -0.33 0.00 -1.57 0.00 0.00 52.86 52.06 3min s ASN 317 Cb -0.12 -1.70 -0.14 0.00 -0.02 0.00 0.00 41.25 39.27 3min s ASN 317 CO 0.02 -1.85 1.54 0.00 -2.57 0.00 0.00 177.10 174.24 3min n ILE 318 N -3.32 0.19 -1.32 0.60 3.06 -1.25 -4.80 119.36 112.52 3min n ILE 318 Ca 0.07 -0.05 -0.41 0.00 -2.50 0.00 0.00 62.75 59.86 3min n ILE 318 Cb 0.58 -1.51 -0.06 0.00 0.54 0.00 0.00 39.64 39.20 3min n ILE 318 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 3min n PRO 319 N 3.11 1.58 -5.09 9.51 -0.04 -1.26 -4.76 135.00 138.04 3min n PRO 319 Ca 0.16 -1.98 -0.30 0.00 -0.04 0.00 0.00 63.50 61.35 3min n PRO 319 Cb 0.29 -3.06 -0.16 0.00 -0.04 0.00 0.00 33.50 30.53 3min n PRO 319 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3min s MET 320 N 5.16 2.39 0.00 0.54 -1.94 -1.26 -1.05 119.30 123.14 3min s MET 320 Ca 0.59 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.79 3min s MET 320 Cb 0.12 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.99 3min s MET 320 CO 0.12 0.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.81 3min n GLY 321 N 3.19 -1.00 0.33 -0.03 0.00 -1.26 -4.12 105.19 102.30 3min n GLY 321 Ca -0.18 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 3min n GLY 321 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3min h LEU 322 N 0.00 -0.71 -0.71 0.99 5.85 -1.95 -2.12 115.31 116.65 3min h LEU 322 Ca 0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3min h LEU 322 Cb 0.00 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3min h LEU 322 CO 0.00 -0.49 0.45 0.44 -0.34 0.00 0.00 178.44 178.50 3min h ASP 323 N -0.88 0.76 1.09 1.25 3.32 -1.98 -1.26 116.42 118.71 3min h ASP 323 Ca -0.09 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 3min h ASP 323 Cb 0.64 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3min h ASP 323 CO 0.14 0.53 -0.61 -0.50 -1.72 0.00 0.00 179.24 177.09 3min h TRP 324 N 0.90 0.00 -0.21 4.55 6.55 -1.72 -0.20 115.95 125.83 3min h TRP 324 Ca 0.28 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.97 3min h TRP 324 Cb -0.02 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.28 3min h TRP 324 CO -0.04 0.61 -0.49 1.15 -1.05 0.00 0.00 178.44 178.62 3min h THR 325 N 0.00 1.31 0.31 1.49 2.02 -0.85 -2.08 112.91 115.11 3min h THR 325 Ca -0.01 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 3min h THR 325 Cb 1.31 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 3min h THR 325 CO 0.08 0.53 -0.19 0.44 0.37 0.00 0.00 175.52 176.76 3min h ASP 326 N 0.44 -0.46 -0.62 4.18 3.32 -0.55 -1.57 116.42 121.16 3min h ASP 326 Ca 0.02 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.18 3min h ASP 326 Cb 1.01 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.63 3min h ASP 326 CO 0.09 -0.30 0.27 -0.33 -1.72 0.00 0.00 179.24 177.25 3min h GLU 327 N -0.48 0.47 -0.12 3.56 5.08 -1.05 -1.25 114.58 120.80 3min h GLU 327 Ca -0.03 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3min h GLU 327 Cb 0.39 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3min h GLU 327 CO 0.04 0.31 -0.17 0.35 -1.00 0.00 0.00 179.01 178.54 3min h PHE 328 N 0.48 -0.43 -0.51 4.33 3.57 -1.13 -0.35 116.94 122.89 3min h PHE 328 Ca 0.30 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 3min h PHE 328 Cb 0.32 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3min h PHE 328 CO -0.14 -0.24 0.10 -0.07 -2.23 0.00 0.00 178.31 175.73 3min h LEU 329 N -0.22 0.73 -0.26 0.59 4.07 -0.63 -0.83 115.31 118.78 3min h LEU 329 Ca 0.09 -0.14 -0.21 0.00 0.08 0.00 0.00 57.88 57.71 3min h LEU 329 Cb 0.35 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.90 3min h LEU 329 CO -0.24 0.74 -0.75 0.24 -1.08 0.00 0.00 178.44 177.34 3min h MET 330 N 0.75 0.66 -0.60 1.13 2.86 -0.85 -0.93 114.93 117.94 3min h MET 330 Ca 0.16 -0.53 -0.10 0.00 -2.06 0.00 0.00 59.70 57.17 3min h MET 330 Cb 0.31 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3min h MET 330 CO 0.00 1.15 -0.01 -0.22 1.06 0.00 0.00 176.91 178.89 3min h LYS 331 N 0.45 1.07 -0.59 1.72 1.63 -0.76 -0.79 116.57 119.30 3min h LYS 331 Ca -0.04 -0.34 -0.03 0.00 -0.85 0.00 0.00 60.65 59.38 3min h LYS 331 Cb 1.36 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.87 3min h LYS 331 CO 0.15 1.05 0.25 0.28 -3.45 0.00 0.00 179.45 177.72 3min h VAL 332 N 0.97 1.22 -0.20 2.00 2.07 -1.08 -1.03 116.25 120.21 3min h VAL 332 Ca 0.17 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.06 3min h VAL 332 Cb 0.57 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3min h VAL 332 CO 0.03 0.27 -0.10 -1.28 0.02 0.00 0.00 177.57 176.51 3min h SER 333 N 0.81 -0.33 0.21 0.57 0.87 -0.73 -1.16 113.55 113.80 3min h SER 333 Ca 0.20 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 3min h SER 333 Cb 0.18 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3min h SER 333 CO -0.02 -0.13 -0.23 -0.08 -0.53 0.00 0.00 176.83 175.84 3min h GLU 334 N -0.08 -0.43 -0.96 2.24 4.81 -0.76 0.48 114.58 119.88 3min h GLU 334 Ca 0.11 0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.55 3min h GLU 334 Cb 0.24 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 29.61 3min h GLU 334 CO -0.25 -0.29 0.55 0.82 -0.73 0.00 0.00 179.01 179.12 3min h ILE 335 N -0.45 0.68 -0.00 2.32 2.04 -1.09 -2.71 117.51 118.30 3min h ILE 335 Ca -0.03 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3min h ILE 335 Cb 0.39 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3min h ILE 335 CO -0.04 0.13 -0.89 -1.54 0.00 0.00 0.00 178.15 175.80 3min n SER 336 N -4.82 1.07 -1.47 1.72 3.41 -0.45 -4.96 113.62 108.13 3min n SER 336 Ca 0.22 -1.00 -0.16 0.00 -0.26 0.00 0.00 58.87 57.68 3min n SER 336 Cb 0.56 0.87 -0.04 0.00 -0.26 0.00 0.00 64.21 65.34 3min n SER 336 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3min n GLY 337 N 1.49 0.84 3.64 5.00 0.00 0.16 -4.98 105.19 111.34 3min n GLY 337 Ca 0.05 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3min n GLY 337 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3min s GLN 338 N -3.94 4.00 0.43 1.61 -1.52 -1.09 -5.04 119.66 114.11 3min s GLN 338 Ca 0.00 -0.33 -0.24 0.00 -1.95 0.00 0.00 55.36 52.84 3min s GLN 338 Cb 0.00 -3.28 -0.08 0.00 -0.22 0.00 0.00 33.01 29.43 3min s GLN 338 CO 0.00 0.24 1.17 -1.25 -0.25 0.00 0.00 175.29 175.19 3min s PRO 339 N 0.49 3.91 -0.31 2.91 0.04 -1.26 -4.32 135.00 136.46 3min s PRO 339 Ca 0.04 1.81 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 3min s PRO 339 Cb -0.12 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 3min s PRO 339 CO 0.00 -0.44 1.62 0.42 0.04 0.00 0.00 177.00 178.65 3min s ILE 340 N -1.48 3.68 0.75 0.56 1.01 -1.26 -4.85 121.20 119.61 3min s ILE 340 Ca 0.60 0.72 -0.13 0.00 0.00 0.00 0.00 60.65 61.85 3min s ILE 340 Cb -0.30 -3.81 0.05 0.00 0.01 0.00 0.00 42.46 38.41 3min s ILE 340 CO 0.37 -0.45 1.13 -2.16 0.00 0.00 0.00 174.94 173.83 3min s PRO 341 N 5.08 2.18 0.38 2.79 0.04 -1.26 -4.84 135.00 139.37 3min s PRO 341 Ca 0.72 1.44 0.18 0.00 0.04 0.00 0.00 61.00 63.37 3min s PRO 341 Cb -0.21 -1.87 1.12 0.00 0.04 0.00 0.00 34.50 33.58 3min s PRO 341 CO 0.31 -1.74 1.71 0.00 0.04 0.00 0.00 177.00 177.33 3min h ALA 342 N -0.71 2.17 -0.64 8.56 0.00 -1.96 -0.43 119.26 126.26 3min h ALA 342 Ca -0.45 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 3min h ALA 342 Cb 1.26 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3min h ALA 342 CO 0.50 -0.69 0.10 0.66 0.00 0.00 0.00 179.25 179.82 3min h SER 343 N 0.35 1.01 0.55 0.00 4.64 -1.97 -0.56 113.55 117.56 3min h SER 343 Ca 0.68 -0.24 -0.19 0.00 -0.47 0.00 0.00 61.79 61.57 3min h SER 343 Cb 1.69 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 3min h SER 343 CO -0.43 1.00 -0.84 -0.07 -0.87 0.00 0.00 176.83 175.62 3min h LEU 344 N 0.99 0.27 -0.36 5.97 3.38 -1.45 -1.08 115.31 123.02 3min h LEU 344 Ca 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3min h LEU 344 Cb 0.43 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3min h LEU 344 CO 0.01 0.99 0.09 0.74 0.09 0.00 0.00 178.44 180.37 3min h THR 345 N 0.12 1.22 -0.16 0.22 2.02 -1.16 -0.50 112.91 114.67 3min h THR 345 Ca -0.04 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 3min h THR 345 Cb 1.46 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 3min h THR 345 CO 0.13 0.26 0.10 0.50 0.37 0.00 0.00 175.52 176.88 3min h LYS 346 N 0.44 0.22 -0.74 6.66 3.64 -0.99 -2.00 116.57 123.79 3min h LYS 346 Ca 0.12 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3min h LYS 346 Cb 0.29 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 3min h LYS 346 CO 0.00 0.18 0.43 1.49 -2.27 0.00 0.00 179.45 179.28 3min h GLU 347 N 0.20 0.76 -0.38 1.90 4.81 -1.05 0.14 114.58 120.96 3min h GLU 347 Ca 0.06 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3min h GLU 347 Cb 0.01 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 3min h GLU 347 CO -0.01 0.50 0.14 -0.09 -0.73 0.00 0.00 179.01 178.83 3min h ARG 348 N 0.78 0.30 0.00 1.92 2.43 -0.75 -1.07 114.38 117.99 3min h ARG 348 Ca 0.33 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.42 3min h ARG 348 Cb 0.20 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3min h ARG 348 CO -0.19 0.20 -0.32 0.78 -1.51 0.00 0.00 179.97 178.93 3min h GLY 349 N 0.31 0.00 1.59 2.80 0.00 -0.55 -1.11 103.07 106.10 3min h GLY 349 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.30 3min h GLY 349 CO -0.16 0.00 -0.84 3.21 0.00 0.00 0.00 176.54 178.75 3min h ARG 350 N 0.00 0.39 -0.32 4.80 3.08 -0.09 0.60 114.38 122.83 3min h ARG 350 Ca -0.00 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 3min h ARG 350 Cb 0.76 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 3min h ARG 350 CO 0.04 1.03 0.15 1.25 -1.07 0.00 0.00 179.97 181.38 3min h LEU 351 N 0.24 0.42 -1.56 3.04 5.85 -0.70 -1.92 115.31 120.68 3min h LEU 351 Ca -0.05 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3min h LEU 351 Cb 1.45 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 3min h LEU 351 CO 0.14 0.43 0.18 0.58 -0.34 0.00 0.00 178.44 179.43 3min h VAL 352 N 0.39 1.11 -0.59 1.05 2.07 -1.10 -1.32 116.25 117.85 3min h VAL 352 Ca 0.11 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 3min h VAL 352 Cb 0.12 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3min h VAL 352 CO -0.01 0.13 0.01 -0.78 0.02 0.00 0.00 177.57 176.93 3min h ASP 353 N 0.47 1.00 -0.48 0.57 3.58 -0.41 -1.69 116.42 119.46 3min h ASP 353 Ca 0.12 -0.28 -0.09 0.00 0.42 0.00 0.00 57.03 57.21 3min h ASP 353 Cb 0.03 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.79 3min h ASP 353 CO -0.02 1.05 -0.01 0.24 -2.88 0.00 0.00 179.24 177.62 3min h MET 354 N 0.94 0.91 -0.17 0.28 2.86 -0.51 -1.76 114.93 117.48 3min h MET 354 Ca 0.17 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3min h MET 354 Cb 0.53 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3min h MET 354 CO 0.03 0.91 0.02 0.52 1.06 0.00 0.00 176.91 179.45 3min h MET 355 N 0.84 0.09 -0.61 1.72 2.86 -1.01 -0.67 114.93 118.15 3min h MET 355 Ca 0.16 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3min h MET 355 Cb 0.51 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 3min h MET 355 CO 0.03 0.06 0.25 1.79 1.06 0.00 0.00 176.91 180.10 3min h THR 356 N 0.09 1.23 -0.03 2.22 1.35 -1.00 -1.04 112.91 115.72 3min h THR 356 Ca 0.08 -0.69 -0.05 0.00 -0.55 0.00 0.00 66.41 65.19 3min h THR 356 Cb 0.08 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 3min h THR 356 CO -0.11 0.27 -0.23 0.44 -0.25 0.00 0.00 175.52 175.64 3min h ASP 357 N 0.84 0.05 -0.01 5.36 3.32 -1.16 -3.27 116.42 121.56 3min h ASP 357 Ca 0.20 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3min h ASP 357 Cb 0.19 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3min h ASP 357 CO -0.02 0.28 -0.37 -1.20 -1.72 0.00 0.00 179.24 176.22 3min n SER 358 N -4.25 1.49 0.13 6.45 7.64 -0.27 -4.72 113.62 120.09 3min n SER 358 Ca -0.02 -1.24 0.19 0.00 1.01 0.00 0.00 58.87 58.81 3min n SER 358 Cb 0.30 0.53 0.77 0.00 -1.01 0.00 0.00 64.21 64.80 3min n SER 358 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 3min h HIS 359 N 1.53 0.00 -0.00 1.43 2.07 -1.25 -1.99 115.15 116.93 3min h HIS 359 Ca 0.00 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.33 3min h HIS 359 Cb 0.51 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.47 3min h HIS 359 CO 0.00 0.00 -0.84 1.79 -3.07 0.00 0.00 177.93 175.81 3min h THR 360 N 0.00 1.51 0.00 6.12 1.35 -1.85 -1.29 112.91 118.75 3min h THR 360 Ca 0.16 -2.61 -0.11 0.00 -0.55 0.00 0.00 66.41 63.30 3min h THR 360 Cb 0.82 2.44 -0.02 0.00 -1.73 0.00 0.00 68.15 69.67 3min h THR 360 CO -0.00 0.76 -0.73 -0.50 -0.25 0.00 0.00 175.52 174.79 3min h TRP 361 N 0.08 0.00 0.00 4.73 4.06 -1.73 -3.30 115.95 119.79 3min h TRP 361 Ca -0.03 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.74 3min h TRP 361 Cb 1.46 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.59 3min h TRP 361 CO 0.02 0.45 -0.94 -0.07 -3.56 0.00 0.00 178.44 174.34 3min h LEU 362 N 0.00 0.00 -9.09 -4.49 3.38 -1.38 -3.45 115.31 100.27 3min h LEU 362 Ca -0.04 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.29 3min h LEU 362 Cb 1.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.14 3min h LEU 362 CO 0.05 0.81 1.19 1.57 0.09 0.00 0.00 178.44 182.14 3min n HIS 363 N -3.25 2.13 -1.06 1.13 -0.00 -0.50 -1.94 115.22 111.74 3min n HIS 363 Ca -0.02 0.08 -0.02 0.00 0.46 0.00 0.00 57.72 58.22 3min n HIS 363 Cb 0.88 -2.63 -0.01 0.00 -0.12 0.00 0.00 29.99 28.11 3min n HIS 363 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3min n GLY 364 N 4.94 0.56 3.74 1.57 0.00 0.65 -4.98 105.19 111.66 3min n GLY 364 Ca 0.27 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3min n GLY 364 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3min s LYS 365 N -1.47 4.44 -0.20 1.61 -0.14 -0.82 -4.65 119.74 118.52 3min s LYS 365 Ca 0.00 1.95 -0.12 0.00 -1.36 0.00 0.00 55.97 56.44 3min s LYS 365 Cb 0.00 -3.22 -0.05 0.00 -1.68 0.00 0.00 37.83 32.88 3min s LYS 365 CO 0.00 -0.16 0.23 1.03 -0.76 0.00 0.00 175.35 175.69 3min s ARG 366 N -0.17 4.17 -0.00 1.68 0.52 -1.26 -0.75 118.95 123.13 3min s ARG 366 Ca 0.55 -0.07 0.08 0.00 -0.52 0.00 0.00 55.73 55.76 3min s ARG 366 Cb -0.34 -3.48 -0.02 0.00 0.52 0.00 0.00 34.95 31.63 3min s ARG 366 CO 0.37 0.14 -0.24 -0.06 0.02 0.00 0.00 175.30 175.54 3min s PHE 367 N 0.79 2.14 -0.09 -0.53 0.08 -0.20 -0.34 117.98 119.83 3min s PHE 367 Ca 0.12 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 3min s PHE 367 Cb -0.13 -1.35 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 3min s PHE 367 CO 0.03 0.01 -0.02 0.00 -0.10 0.00 0.00 175.22 175.14 3min s ALA 368 N -0.63 3.17 0.08 5.36 0.00 -0.75 -1.34 121.76 127.66 3min s ALA 368 Ca 0.09 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 3min s ALA 368 Cb -0.09 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.63 3min s ALA 368 CO -0.00 0.54 0.33 -0.48 0.00 0.00 0.00 175.76 176.15 3min s LEU 369 N -0.72 0.75 0.26 0.00 -0.00 -0.18 -0.69 118.68 118.09 3min s LEU 369 Ca 0.11 -0.29 -0.07 0.00 -0.00 0.00 0.00 54.13 53.87 3min s LEU 369 Cb -0.12 1.52 -0.01 0.00 -0.00 0.00 0.00 46.19 47.58 3min s LEU 369 CO 0.02 -0.73 0.38 -1.66 -0.00 0.00 0.00 176.35 174.37 3min s TRP 370 N -3.23 0.74 -5.00 3.48 -2.14 -1.09 -0.96 118.94 110.75 3min s TRP 370 Ca -0.00 -1.03 0.00 0.00 2.66 0.00 0.00 56.10 57.73 3min s TRP 370 Cb 0.01 -0.08 0.00 0.00 -3.10 0.00 0.00 33.47 30.31 3min s TRP 370 CO -0.08 -0.93 0.00 0.41 -2.66 0.00 0.00 176.95 173.69 3min n GLY 371 N -0.39 0.24 3.83 3.67 0.00 -1.21 -4.75 105.19 106.57 3min n GLY 371 Ca -0.00 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 3min n GLY 371 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3min s ASP 372 N -4.00 6.25 0.24 1.61 1.01 -1.26 -4.51 116.67 116.01 3min s ASP 372 Ca 0.00 1.67 -0.05 0.00 0.71 0.00 0.00 52.55 54.88 3min s ASP 372 Cb 0.00 -2.52 0.43 0.00 1.01 0.00 0.00 42.92 41.84 3min s ASP 372 CO 0.00 -0.85 1.72 1.55 0.21 0.00 0.00 175.17 177.81 3min h PRO 373 N 0.66 0.40 -0.14 8.23 0.13 -1.96 -0.21 132.00 139.10 3min h PRO 373 Ca -0.47 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 3min h PRO 373 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3min h PRO 373 CO 0.60 0.26 -0.49 -0.44 -0.23 0.00 0.00 178.00 177.70 3min h ASP 374 N 0.41 0.68 -0.34 1.44 5.19 -1.93 -2.03 116.42 119.84 3min h ASP 374 Ca 0.40 -0.61 0.04 0.00 -0.62 0.00 0.00 57.03 56.24 3min h ASP 374 Cb 0.60 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.88 3min h ASP 374 CO -0.41 1.17 0.13 0.15 -3.12 0.00 0.00 179.24 177.16 3min h PHE 375 N 0.23 0.23 -0.14 4.55 3.57 -1.84 -2.39 116.94 121.15 3min h PHE 375 Ca -0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3min h PHE 375 Cb 1.12 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3min h PHE 375 CO 0.10 0.10 0.06 0.28 -2.23 0.00 0.00 178.31 176.62 3min h VAL 376 N 0.28 1.16 -0.25 1.41 2.07 -0.97 -1.92 116.25 118.02 3min h VAL 376 Ca 0.15 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3min h VAL 376 Cb 0.12 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3min h VAL 376 CO -0.15 0.15 -0.06 0.00 0.02 0.00 0.00 177.57 177.53 3min h MET 377 N 0.07 0.39 -0.34 1.57 -0.00 -1.23 0.14 114.93 115.53 3min h MET 377 Ca 0.05 -0.08 -0.14 0.00 -0.00 0.00 0.00 59.70 59.53 3min h MET 377 Cb 0.18 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 31.72 3min h MET 377 CO -0.00 0.46 -0.35 0.78 -0.00 0.00 0.00 176.91 177.80 3min h GLY 378 N 0.77 0.83 1.53 -3.00 0.00 -1.30 -0.53 103.07 101.37 3min h GLY 378 Ca 0.08 -0.81 -0.14 0.00 0.00 0.00 0.00 47.33 46.46 3min h GLY 378 CO 0.02 0.73 -0.47 -2.00 0.00 0.00 0.00 176.54 174.81 3min h LEU 379 N 0.64 0.55 0.21 3.11 5.85 -0.51 -0.76 115.31 124.40 3min h LEU 379 Ca 0.06 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3min h LEU 379 Cb 0.89 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3min h LEU 379 CO 0.08 0.94 -0.10 0.58 -0.34 0.00 0.00 178.44 179.60 3min h VAL 380 N 0.41 0.85 -0.25 1.05 2.07 -0.83 -0.73 116.25 118.81 3min h VAL 380 Ca 0.02 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.34 3min h VAL 380 Cb 0.98 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 3min h VAL 380 CO 0.09 0.06 -0.13 0.50 0.02 0.00 0.00 177.57 178.11 3min h LYS 381 N -0.41 -0.10 -0.66 1.57 1.63 -0.86 -1.61 116.57 116.13 3min h LYS 381 Ca -0.03 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 3min h LYS 381 Cb 0.31 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 3min h LYS 381 CO 0.05 -0.06 0.25 0.35 -3.45 0.00 0.00 179.45 176.58 3min h PHE 382 N -0.10 1.02 -0.69 1.91 3.57 -1.12 -0.80 116.94 120.73 3min h PHE 382 Ca 0.14 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3min h PHE 382 Cb 0.30 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3min h PHE 382 CO -0.31 0.80 0.46 -0.07 -2.23 0.00 0.00 178.31 176.96 3min h LEU 383 N 0.94 0.80 -0.53 0.59 3.38 -0.51 -0.54 115.31 119.44 3min h LEU 383 Ca 0.22 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3min h LEU 383 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3min h LEU 383 CO -0.02 0.58 -0.19 -0.07 0.09 0.00 0.00 178.44 178.83 3min h LEU 384 N 0.94 1.01 -1.59 1.67 3.38 -0.55 -0.34 115.31 119.83 3min h LEU 384 Ca 0.25 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3min h LEU 384 Cb -0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 3min h LEU 384 CO -0.05 1.16 -0.09 -0.33 0.09 0.00 0.00 178.44 179.22 3min h GLU 385 N 0.86 0.15 -0.00 1.13 5.08 -0.04 -1.02 114.58 120.75 3min h GLU 385 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3min h GLU 385 Cb 0.76 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3min h GLU 385 CO 0.06 0.25 -0.04 1.28 -1.00 0.00 0.00 179.01 179.57 3min n LEU 386 N -4.35 0.19 0.00 1.33 4.77 -0.32 -4.91 117.00 113.71 3min n LEU 386 Ca -0.01 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3min n LEU 386 Cb 0.21 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3min n LEU 386 CO 0.37 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3min n GLY 387 N 1.23 0.38 3.91 -0.72 0.00 -0.39 -4.44 105.19 105.17 3min n GLY 387 Ca 0.16 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 3min n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3min s GLU 389 N -4.16 2.22 -1.07 0.00 2.02 0.07 -4.24 118.70 113.54 3min s GLU 389 Ca 0.49 -1.48 -0.19 0.00 0.02 0.00 0.00 54.97 53.80 3min s GLU 389 Cb -0.05 -3.30 -0.07 0.00 0.10 0.00 0.00 34.13 30.81 3min s GLU 389 CO 0.29 -0.78 2.02 -0.35 0.02 0.00 0.00 175.26 176.46 3min n PRO 390 N 4.58 2.06 -0.16 0.39 -0.04 -1.26 -1.03 135.00 139.54 3min n PRO 390 Ca -0.08 -2.24 -0.03 0.00 -0.04 0.00 0.00 63.50 61.11 3min n PRO 390 Cb 0.43 -3.14 0.17 0.00 -0.04 0.00 0.00 33.50 30.91 3min n PRO 390 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3min h VAL 391 N 4.52 1.23 -3.54 0.52 2.07 -1.47 -3.39 116.25 116.19 3min h VAL 391 Ca 0.46 -0.81 -0.60 0.00 0.82 0.00 0.00 66.70 66.56 3min h VAL 391 Cb 0.69 0.60 -0.38 0.00 -1.52 0.00 0.00 31.29 30.69 3min h VAL 391 CO 1.85 0.31 -0.79 -1.00 0.02 0.00 0.00 177.57 177.95 3min s HIS 392 N -5.28 2.31 -0.27 1.57 3.76 -1.04 -1.80 115.29 114.53 3min s HIS 392 Ca -0.10 -1.63 -0.03 0.00 -0.15 0.00 0.00 55.06 53.15 3min s HIS 392 Cb 0.16 -1.56 0.03 0.00 1.11 0.00 0.00 32.58 32.32 3min s HIS 392 CO 0.81 -0.75 -0.01 0.42 -0.85 0.00 0.00 174.74 174.36 3min s ILE 393 N 1.43 3.14 -0.07 0.60 1.01 -0.41 -1.01 121.20 125.88 3min s ILE 393 Ca -0.04 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.60 3min s ILE 393 Cb -0.18 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 3min s ILE 393 CO -0.07 0.08 -0.24 -0.22 0.00 0.00 0.00 174.94 174.49 3min s LEU 394 N 1.34 2.09 -0.32 2.97 0.20 -0.13 -0.19 118.68 124.65 3min s LEU 394 Ca -0.01 -0.52 -0.01 0.00 0.69 0.00 0.00 54.13 54.28 3min s LEU 394 Cb -0.18 -1.39 0.13 0.00 -0.43 0.00 0.00 46.19 44.32 3min s LEU 394 CO -0.02 0.22 0.24 0.00 -0.29 0.00 0.00 176.35 176.50 3min h HIS 396 N 7.83 0.75 -0.56 0.00 2.76 -1.78 -1.64 115.15 122.51 3min h HIS 396 Ca -0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 3min h HIS 396 Cb 1.03 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.78 3min h HIS 396 CO 0.32 0.23 0.00 0.27 -1.30 0.00 0.00 177.93 177.45 3min n ASN 397 N -4.84 5.14 -4.88 3.26 6.94 -1.26 -1.57 115.26 118.04 3min n ASN 397 Ca 0.15 -2.73 -0.30 0.00 -0.02 0.00 0.00 54.58 51.69 3min n ASN 397 Cb 0.37 -0.64 0.02 0.00 -2.36 0.00 0.00 39.78 37.17 3min n ASN 397 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3min s GLY 398 N -0.77 1.62 0.35 4.83 0.00 -0.63 -4.88 107.32 107.85 3min s GLY 398 Ca 0.50 -0.29 0.09 0.00 0.00 0.00 0.00 44.72 45.02 3min s GLY 398 CO 0.18 -0.00 -0.07 0.54 0.00 0.00 0.00 173.10 173.74 3min s ASN 399 N -4.24 3.78 0.29 1.64 2.20 -1.26 -4.37 114.94 112.99 3min s ASN 399 Ca 0.55 -1.21 0.04 0.00 -0.94 0.00 0.00 52.86 51.30 3min s ASN 399 Cb -0.11 -0.37 0.69 0.00 -2.00 0.00 0.00 41.25 39.47 3min s ASN 399 CO 0.51 -0.24 1.77 0.11 -2.94 0.00 0.00 177.10 176.31 3min h LYS 400 N 1.97 0.69 -0.02 3.55 1.57 -1.99 -1.29 116.57 121.06 3min h LYS 400 Ca -0.42 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.18 3min h LYS 400 Cb 1.25 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 3min h LYS 400 CO 0.72 0.46 -0.61 0.00 -0.57 0.00 0.00 179.45 179.44 3min h ARG 401 N 0.71 0.06 -0.02 3.15 3.08 -1.99 -1.91 114.38 117.46 3min h ARG 401 Ca 0.55 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.56 3min h ARG 401 Cb 0.85 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 3min h ARG 401 CO -0.39 0.66 -0.00 2.35 -1.07 0.00 0.00 179.97 181.52 3min h TRP 402 N 0.05 0.03 -0.91 3.04 7.01 -1.70 -1.40 115.95 122.06 3min h TRP 402 Ca -0.01 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.13 3min h TRP 402 Cb 1.09 -0.01 -0.09 0.00 -2.10 0.00 0.00 29.16 28.05 3min h TRP 402 CO 0.01 0.34 0.52 -0.22 -2.79 0.00 0.00 178.44 176.30 3min h LYS 403 N -0.29 0.74 -0.19 2.65 3.64 -1.02 -0.10 116.57 122.00 3min h LYS 403 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3min h LYS 403 Cb 0.33 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3min h LYS 403 CO 0.00 0.49 0.06 -0.22 -2.27 0.00 0.00 179.45 177.51 3min h LYS 404 N 0.77 0.29 -0.80 1.90 3.64 -1.24 -1.08 116.57 120.05 3min h LYS 404 Ca 0.48 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.83 3min h LYS 404 Cb 0.62 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 3min h LYS 404 CO -0.33 0.40 0.53 0.00 -2.27 0.00 0.00 179.45 177.78 3min h ALA 405 N 0.88 1.49 -0.01 5.00 0.00 0.04 -1.41 119.26 125.25 3min h ALA 405 Ca 0.06 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 3min h ALA 405 Cb 0.23 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 17.75 3min h ALA 405 CO -0.00 0.44 -0.92 0.28 0.00 0.00 0.00 179.25 179.05 3min h VAL 406 N 1.01 1.31 -0.27 0.00 2.07 -0.98 -2.53 116.25 116.86 3min h VAL 406 Ca 0.31 -2.19 -0.00 0.00 0.82 0.00 0.00 66.70 65.64 3min h VAL 406 Cb -0.01 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3min h VAL 406 CO -0.08 0.67 0.15 0.44 0.02 0.00 0.00 177.57 178.77 3min h ASP 407 N 0.28 0.32 -0.25 0.57 3.32 -0.90 -0.94 116.42 118.82 3min h ASP 407 Ca -0.11 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3min h ASP 407 Cb 1.59 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 41.05 3min h ASP 407 CO 0.18 0.26 0.14 0.00 -1.72 0.00 0.00 179.24 178.10 3min h ALA 408 N 1.80 0.32 -0.93 3.45 0.00 -1.17 0.19 119.26 122.91 3min h ALA 408 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3min h ALA 408 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3min h ALA 408 CO -0.02 -0.15 0.58 0.82 0.00 0.00 0.00 179.25 180.48 3min h ILE 409 N 0.29 1.25 -0.35 0.00 2.04 -0.85 -2.11 117.51 117.78 3min h ILE 409 Ca 0.09 -0.53 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 3min h ILE 409 Cb 0.06 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 3min h ILE 409 CO -0.01 0.26 -0.14 -0.07 0.00 0.00 0.00 178.15 178.19 3min h LEU 410 N 1.28 0.72 -1.75 1.44 3.38 -0.99 -2.98 115.31 116.42 3min h LEU 410 Ca 0.34 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3min h LEU 410 Cb -0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3min h LEU 410 CO -0.07 0.95 0.14 0.00 0.09 0.00 0.00 178.44 179.55 3min h ALA 411 N 0.79 1.81 0.00 1.53 0.00 -0.66 -2.48 119.26 120.26 3min h ALA 411 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3min h ALA 411 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3min h ALA 411 CO 0.04 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.46 3min n ALA 412 N -2.50 2.22 -3.12 0.00 0.00 -0.82 -4.80 120.51 111.49 3min n ALA 412 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 3min n ALA 412 Cb 0.08 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 3min n ALA 412 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3min s SER 413 N -1.14 -0.22 0.52 0.00 0.15 -0.93 -5.01 113.70 107.06 3min s SER 413 Ca 0.00 0.42 0.22 0.00 0.70 0.00 0.00 55.95 57.28 3min s SER 413 Cb 0.00 0.45 1.33 0.00 -1.71 0.00 0.00 66.02 66.09 3min s SER 413 CO 0.00 -0.11 2.04 -0.65 1.20 0.00 0.00 173.24 175.72 3min h PRO 414 N 5.64 0.03 -0.00 5.44 0.11 -1.87 -1.74 132.00 139.61 3min h PRO 414 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3min h PRO 414 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3min h PRO 414 CO 0.37 0.02 -0.02 0.66 -0.21 0.00 0.00 178.00 178.82 3min n TYR 415 N -4.43 0.00 0.98 0.65 4.01 -1.26 -3.04 117.16 114.06 3min n TYR 415 Ca 0.06 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.93 3min n TYR 415 Cb 0.45 -0.30 0.28 0.00 -0.31 0.00 0.00 39.34 39.46 3min n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3min n GLY 416 N 1.32 -1.28 0.34 2.72 0.00 -0.65 -4.40 105.19 103.23 3min n GLY 416 Ca 0.13 -0.32 0.18 0.00 0.00 0.00 0.00 46.02 46.01 3min n GLY 416 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3min h LYS 417 N 0.00 0.00 -0.31 1.61 1.57 -1.67 -1.53 116.57 116.24 3min h LYS 417 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3min h LYS 417 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3min h LYS 417 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3min n ASN 418 N -3.46 2.99 -4.85 0.86 5.03 -1.26 -5.03 115.26 109.54 3min n ASN 418 Ca 0.01 -1.87 -0.36 0.00 0.87 0.00 0.00 54.58 53.22 3min n ASN 418 Cb 0.33 -0.20 -0.06 0.00 -1.02 0.00 0.00 39.78 38.83 3min n ASN 418 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3min s ALA 419 N -1.18 3.70 -0.01 5.41 0.00 -0.58 -4.65 121.76 124.45 3min s ALA 419 Ca 0.29 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3min s ALA 419 Cb 0.17 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 3min s ALA 419 CO 0.23 0.52 -0.11 0.99 0.00 0.00 0.00 175.76 177.39 3min s THR 420 N -1.28 0.85 -0.13 0.00 2.01 -0.74 -5.01 115.64 111.33 3min s THR 420 Ca 0.30 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 3min s THR 420 Cb -0.15 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 3min s THR 420 CO 0.16 0.24 0.22 -0.69 -0.69 0.00 0.00 174.62 173.87 3min s VAL 421 N -0.17 5.36 -0.13 3.82 1.01 -1.26 -1.29 120.40 127.74 3min s VAL 421 Ca 0.03 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.42 3min s VAL 421 Cb -0.05 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.82 3min s VAL 421 CO -0.00 0.51 -0.16 -0.31 0.00 0.00 0.00 175.10 175.14 3min s TYR 422 N -0.31 2.14 0.20 5.22 1.51 0.74 -4.97 117.35 121.88 3min s TYR 422 Ca 0.15 -1.10 0.08 0.00 -1.01 0.00 0.00 57.07 55.20 3min s TYR 422 Cb -0.13 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 3min s TYR 422 CO 0.04 -0.57 -0.03 0.96 -1.11 0.00 0.00 175.55 174.84 3min s ILE 423 N 1.14 3.48 0.00 2.71 -4.36 -1.26 -0.86 121.20 122.05 3min s ILE 423 Ca -0.02 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 3min s ILE 423 Cb -0.14 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.80 3min s ILE 423 CO -0.05 -0.18 0.00 0.61 0.24 0.00 0.00 174.94 175.56 3min n GLY 424 N -0.27 0.42 3.99 6.27 0.00 -0.61 -4.92 105.19 110.07 3min n GLY 424 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 3min n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3min s LYS 425 N -0.60 2.91 0.04 1.61 -0.14 -1.26 -4.95 119.74 117.35 3min s LYS 425 Ca 0.00 -1.05 0.01 0.00 -1.36 0.00 0.00 55.97 53.57 3min s LYS 425 Cb 0.00 -2.73 -0.00 0.00 -1.68 0.00 0.00 37.83 33.42 3min s LYS 425 CO 0.00 -0.21 0.03 -0.40 -0.76 0.00 0.00 175.35 174.00 3min n ASP 426 N -1.86 0.42 0.21 2.83 5.68 -1.26 -3.80 116.55 118.77 3min n ASP 426 Ca 0.05 -1.25 0.09 0.00 -0.50 0.00 0.00 54.79 53.17 3min n ASP 426 Cb 0.59 0.16 0.35 0.00 -1.14 0.00 0.00 41.12 41.07 3min n ASP 426 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3min h LEU 427 N 0.00 0.00 -0.72 -2.12 3.38 -1.31 -0.09 115.31 114.45 3min h LEU 427 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3min h LEU 427 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3min h LEU 427 CO 0.05 0.25 -0.48 -0.25 0.09 0.00 0.00 178.44 178.10 3min h TRP 428 N 0.00 0.00 0.09 1.13 2.91 -1.70 -0.09 115.95 118.29 3min h TRP 428 Ca -0.00 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 3min h TRP 428 Cb 0.90 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.55 3min h TRP 428 CO 0.00 0.48 -0.04 0.45 -1.03 0.00 0.00 178.44 178.30 3min h HIS 429 N 0.00 -0.11 -0.55 2.65 3.86 -1.35 -3.09 115.15 116.57 3min h HIS 429 Ca -0.00 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3min h HIS 429 Cb 1.06 0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.53 3min h HIS 429 CO 0.00 0.23 0.36 1.25 0.86 0.00 0.00 177.93 180.63 3min h LEU 430 N -0.45 0.42 -0.63 2.43 5.85 -1.01 -1.44 115.31 120.49 3min h LEU 430 Ca -0.01 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3min h LEU 430 Cb 0.38 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3min h LEU 430 CO 0.02 0.27 0.30 -0.09 -0.34 0.00 0.00 178.44 178.60 3min h ARG 431 N 0.48 0.52 0.33 1.25 2.43 -0.93 -0.64 114.38 117.82 3min h ARG 431 Ca 0.24 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3min h ARG 431 Cb 0.33 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3min h ARG 431 CO -0.07 0.35 -0.32 0.77 -1.51 0.00 0.00 179.97 179.19 3min h SER 432 N 0.54 -0.87 -0.48 -3.80 0.02 -1.24 -2.96 113.55 104.76 3min h SER 432 Ca 0.30 0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.43 3min h SER 432 Cb 0.29 0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 3min h SER 432 CO -0.24 -0.46 0.33 -0.07 -1.14 0.00 0.00 176.83 175.25 3min h LEU 433 N -0.68 0.20 -0.01 5.07 3.38 -1.09 0.49 115.31 122.68 3min h LEU 433 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3min h LEU 433 Cb 0.61 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3min h LEU 433 CO -0.06 0.12 -0.26 1.33 0.09 0.00 0.00 178.44 179.66 3min n VAL 434 N -4.45 0.00 -0.02 1.22 0.24 -0.32 -1.89 118.33 113.11 3min n VAL 434 Ca 0.08 -0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.16 3min n VAL 434 Cb 0.40 -0.09 -0.13 0.00 -1.47 0.00 0.00 33.84 32.54 3min n VAL 434 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3min h PHE 435 N 0.03 0.35 0.00 6.34 0.04 -0.81 -3.32 116.94 119.58 3min h PHE 435 Ca 0.00 -0.26 -0.09 0.00 2.80 0.00 0.00 57.97 60.42 3min h PHE 435 Cb 0.49 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3min h PHE 435 CO 0.00 1.61 -0.77 1.79 -0.60 0.00 0.00 178.31 180.34 3min h THR 436 N -0.35 0.50 -1.97 -1.55 1.35 -1.24 -3.37 112.91 106.29 3min h THR 436 Ca -0.35 -1.79 -0.53 0.00 -0.55 0.00 0.00 66.41 63.18 3min h THR 436 Cb 1.74 2.11 -0.36 0.00 -1.73 0.00 0.00 68.15 69.90 3min h THR 436 CO 0.01 0.29 -1.00 -0.67 -0.25 0.00 0.00 175.52 173.89 3min n ASP 437 N -3.03 -0.41 -4.68 5.36 2.03 -0.79 -5.07 116.55 109.96 3min n ASP 437 Ca -0.01 -2.62 -0.47 0.00 0.52 0.00 0.00 54.79 52.21 3min n ASP 437 Cb 0.71 -0.36 -0.04 0.00 -0.72 0.00 0.00 41.12 40.71 3min n ASP 437 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3min n LYS 438 N 2.01 2.36 -1.11 -0.67 4.81 -1.25 -4.53 118.16 119.78 3min n LYS 438 Ca 0.23 0.86 -0.09 0.00 -0.87 0.00 0.00 58.31 58.44 3min n LYS 438 Cb 0.52 -2.73 0.05 0.00 0.02 0.00 0.00 35.03 32.89 3min n LYS 438 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3min n PRO 439 N 6.57 0.06 -0.00 1.64 -0.04 -1.26 -5.04 135.00 136.93 3min n PRO 439 Ca 0.21 -0.91 -0.22 0.00 -0.04 0.00 0.00 63.50 62.54 3min n PRO 439 Cb 0.32 -0.33 -0.14 0.00 -0.04 0.00 0.00 33.50 33.31 3min n PRO 439 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3min h ASP 440 N -0.37 0.38 -5.21 3.54 3.32 -1.07 -3.47 116.42 113.55 3min h ASP 440 Ca -0.13 -0.90 -0.13 0.00 0.02 0.00 0.00 57.03 55.89 3min h ASP 440 Cb 0.44 -0.12 -0.15 0.00 0.22 0.00 0.00 39.33 39.72 3min h ASP 440 CO 0.12 1.81 -0.68 -0.36 -1.72 0.00 0.00 179.24 178.41 3min s PHE 441 N -2.53 0.55 0.08 4.55 0.08 -1.13 -3.89 117.98 115.68 3min s PHE 441 Ca -0.23 -1.06 0.07 0.00 0.12 0.00 0.00 56.93 55.82 3min s PHE 441 Cb 0.06 -0.40 -0.04 0.00 -0.57 0.00 0.00 43.02 42.08 3min s PHE 441 CO 0.75 -0.37 -0.11 -1.64 -0.10 0.00 0.00 175.22 173.76 3min s MET 442 N -3.92 2.18 -0.24 0.44 -1.94 -0.13 -1.81 119.30 113.88 3min s MET 442 Ca 0.08 -0.98 0.02 0.00 -1.71 0.00 0.00 55.69 53.10 3min s MET 442 Cb 0.08 -2.32 0.05 0.00 2.01 0.00 0.00 34.83 34.65 3min s MET 442 CO -0.10 0.53 -0.11 0.42 -0.01 0.00 0.00 175.02 175.75 3min s ILE 443 N -1.14 1.99 0.04 2.53 1.01 0.13 -0.63 121.20 125.13 3min s ILE 443 Ca 0.20 -1.41 -0.02 0.00 0.00 0.00 0.00 60.65 59.42 3min s ILE 443 Cb -0.11 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.29 3min s ILE 443 CO 0.12 0.05 0.12 0.61 0.00 0.00 0.00 174.94 175.84 3min n GLY 444 N 4.52 1.53 3.98 6.18 0.00 -0.60 -2.65 105.19 118.15 3min n GLY 444 Ca -0.15 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 3min n GLY 444 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3min s ASN 445 N -1.30 4.19 0.64 1.61 2.20 -1.25 -0.80 114.94 120.23 3min s ASN 445 Ca 0.03 -0.18 0.40 0.00 -0.94 0.00 0.00 52.86 52.16 3min s ASN 445 Cb -0.01 -0.17 2.15 0.00 -2.00 0.00 0.00 41.25 41.23 3min s ASN 445 CO 0.01 -1.98 2.21 0.28 -2.94 0.00 0.00 177.10 174.68 3min h SER 446 N -0.71 0.00 0.31 3.54 0.02 -1.58 -1.83 113.55 113.29 3min h SER 446 Ca -0.39 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 3min h SER 446 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 3min h SER 446 CO 0.42 0.00 -0.08 1.88 -1.14 0.00 0.00 176.83 177.91 3min h TYR 447 N 0.00 0.00 -0.10 3.45 0.05 -1.94 -0.85 116.97 117.59 3min h TYR 447 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 3min h TYR 447 Cb 0.17 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 3min h TYR 447 CO 0.00 0.08 0.14 0.78 -1.05 0.00 0.00 178.16 178.11 3min h GLY 448 N 0.70 0.00 1.93 3.88 0.00 -1.70 -2.78 103.07 105.10 3min h GLY 448 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3min h GLY 448 CO 0.01 0.00 0.03 0.07 0.00 0.00 0.00 176.54 176.65 3min h LYS 449 N 0.00 0.00 0.00 4.80 2.10 -1.37 0.07 116.57 122.17 3min h LYS 449 Ca 0.05 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.57 3min h LYS 449 Cb 0.33 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.64 3min h LYS 449 CO -0.00 0.00 -0.62 0.74 -2.00 0.00 0.00 179.45 177.57 3min h PHE 450 N 0.00 0.00 -0.11 0.07 0.04 -1.72 -1.25 116.94 113.98 3min h PHE 450 Ca 0.02 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 3min h PHE 450 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3min h PHE 450 CO 0.00 0.62 -0.27 0.82 -0.60 0.00 0.00 178.31 178.88 3min h ILE 451 N 0.00 1.39 -0.97 -0.55 2.04 -1.17 -1.15 117.51 117.11 3min h ILE 451 Ca -0.01 -1.59 0.10 0.00 1.00 0.00 0.00 64.86 64.37 3min h ILE 451 Cb 1.25 2.14 -0.07 0.00 -0.74 0.00 0.00 36.82 39.40 3min h ILE 451 CO 0.08 0.46 0.62 -0.61 0.00 0.00 0.00 178.15 178.70 3min h GLN 452 N -0.06 0.97 -0.55 2.37 4.15 -1.21 -0.70 115.11 120.07 3min h GLN 452 Ca -0.00 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.28 3min h GLN 452 Cb 0.88 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 3min h GLN 452 CO 0.06 0.64 0.03 -0.09 -1.93 0.00 0.00 178.83 177.55 3min h ARG 453 N 1.00 0.92 -0.16 1.69 1.12 -0.94 -1.18 114.38 116.83 3min h ARG 453 Ca 0.46 -0.25 -0.02 0.00 -1.11 0.00 0.00 59.98 59.05 3min h ARG 453 Cb 0.39 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 3min h ARG 453 CO -0.21 0.89 0.01 -0.44 -3.11 0.00 0.00 179.97 177.11 3min h ASP 454 N 0.86 0.26 -0.73 -3.80 3.32 -0.21 -2.15 116.42 113.96 3min h ASP 454 Ca 0.17 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 3min h ASP 454 Cb 0.46 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 3min h ASP 454 CO 0.02 0.48 0.45 0.71 -1.72 0.00 0.00 179.24 179.17 3min h THR 455 N 0.03 1.21 -0.66 0.35 1.35 -0.95 -2.23 112.91 112.01 3min h THR 455 Ca 0.05 -0.45 0.02 0.00 -0.55 0.00 0.00 66.41 65.48 3min h THR 455 Cb 0.33 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 66.90 3min h THR 455 CO 0.01 0.21 0.43 0.25 -0.25 0.00 0.00 175.52 176.17 3min h LEU 456 N 1.00 0.71 -1.58 3.87 5.85 -1.14 -1.69 115.31 122.33 3min h LEU 456 Ca 0.26 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 3min h LEU 456 Cb -0.04 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3min h LEU 456 CO -0.05 0.50 -0.15 -0.74 -0.34 0.00 0.00 178.44 177.66 3min h HIS 457 N 0.83 0.08 0.00 1.25 2.76 -0.76 0.01 115.15 119.31 3min h HIS 457 Ca 0.25 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.30 3min h HIS 457 Cb -0.00 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 3min h HIS 457 CO -0.00 0.23 -0.53 -0.22 -1.30 0.00 0.00 177.93 176.11 3min h LYS 458 N 0.08 0.00 0.00 5.26 3.64 -1.15 -3.48 116.57 120.91 3min h LYS 458 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3min h LYS 458 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3min h LYS 458 CO 0.02 0.53 0.00 0.41 -2.27 0.00 0.00 179.45 178.15 3min n GLY 459 N 0.06 3.90 0.32 5.01 0.00 -0.01 -4.91 105.19 109.56 3min n GLY 459 Ca -0.01 -1.17 0.05 0.00 0.00 0.00 0.00 46.02 44.89 3min n GLY 459 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3min h LYS 460 N 0.00 0.76 0.00 1.61 1.79 -1.86 0.20 116.57 119.07 3min h LYS 460 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3min h LYS 460 Cb 0.00 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.48 3min h LYS 460 CO 0.00 0.50 0.00 0.93 -1.08 0.00 0.00 179.45 179.80 3min h GLU 461 N 0.78 0.00 -0.02 3.15 3.07 -1.93 -2.33 114.58 117.30 3min h GLU 461 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3min h GLU 461 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3min h GLU 461 CO -0.29 0.00 -0.05 1.19 -1.40 0.00 0.00 179.01 178.46 3min n PHE 462 N -2.63 0.00 -2.11 4.33 3.72 0.02 -4.97 117.46 115.81 3min n PHE 462 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3min n PHE 462 Cb 0.18 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 3min n PHE 462 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3min s GLU 463 N -1.55 4.30 -0.33 -1.08 2.12 -0.88 -4.61 118.70 116.67 3min s GLU 463 Ca 0.20 2.15 -0.06 0.00 0.36 0.00 0.00 54.97 57.62 3min s GLU 463 Cb 0.15 -3.20 0.03 0.00 0.26 0.00 0.00 34.13 31.37 3min s GLU 463 CO 0.25 -0.44 0.10 0.08 -0.54 0.00 0.00 175.26 174.71 3min s VAL 464 N 0.81 3.80 0.39 3.70 1.01 -1.26 -4.96 120.40 123.89 3min s VAL 464 Ca 0.64 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 3min s VAL 464 Cb -0.39 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.78 3min s VAL 464 CO 0.33 -0.14 1.20 -2.84 0.00 0.00 0.00 175.10 173.66 3min s PRO 465 N 1.42 4.11 -0.03 2.72 0.02 -1.25 -4.46 135.00 137.53 3min s PRO 465 Ca -0.01 1.93 -0.16 0.00 0.02 0.00 0.00 61.00 62.78 3min s PRO 465 Cb -0.19 -2.77 -0.05 0.00 0.02 0.00 0.00 34.50 31.51 3min s PRO 465 CO 0.03 -0.30 0.43 -1.17 -0.33 0.00 0.00 177.00 175.66 3min s LEU 466 N -2.34 4.43 -0.25 -5.54 2.96 -1.26 -0.96 118.68 115.72 3min s LEU 466 Ca 0.55 0.93 -0.03 0.00 -0.22 0.00 0.00 54.13 55.36 3min s LEU 466 Cb -0.33 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.76 3min s LEU 466 CO 0.42 0.25 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.03 3min s ILE 467 N -0.66 3.18 -0.61 6.68 1.01 0.20 -4.93 121.20 126.08 3min s ILE 467 Ca 0.24 -0.83 -0.26 0.00 0.00 0.00 0.00 60.65 59.81 3min s ILE 467 Cb -0.16 -2.57 0.04 0.00 0.01 0.00 0.00 42.46 39.77 3min s ILE 467 CO 0.13 0.24 1.09 -0.13 0.00 0.00 0.00 174.94 176.27 3min s ARG 468 N 1.40 3.33 -0.07 2.79 0.52 -1.26 -1.56 118.95 124.11 3min s ARG 468 Ca 0.02 -0.17 -0.03 0.00 -0.52 0.00 0.00 55.73 55.04 3min s ARG 468 Cb -0.16 -4.09 0.04 0.00 0.52 0.00 0.00 34.95 31.26 3min s ARG 468 CO -0.03 -1.72 0.07 0.42 0.02 0.00 0.00 175.30 174.06 3min s ILE 469 N 4.63 -0.12 -5.00 1.52 1.01 0.02 -4.93 121.20 118.33 3min s ILE 469 Ca 0.34 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.32 3min s ILE 469 Cb -0.11 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.13 3min s ILE 469 CO 0.19 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3min n GLY 470 N 5.30 0.59 2.94 6.18 0.00 -1.26 -3.72 105.19 115.22 3min n GLY 470 Ca -0.04 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 3min n GLY 470 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3min s PHE 471 N -3.38 -0.11 0.35 1.61 5.36 -1.26 -4.38 117.98 116.16 3min s PHE 471 Ca 0.00 0.31 -0.14 0.00 -0.96 0.00 0.00 56.93 56.15 3min s PHE 471 Cb 0.00 -0.02 -0.08 0.00 -0.34 0.00 0.00 43.02 42.58 3min s PHE 471 CO 0.00 -0.09 0.75 -1.25 -1.46 0.00 0.00 175.22 173.17 3min s PRO 472 N 0.45 3.94 -0.28 10.12 0.04 -1.26 -4.78 135.00 143.22 3min s PRO 472 Ca -0.03 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.62 3min s PRO 472 Cb -0.05 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 32.13 3min s PRO 472 CO -0.02 0.09 -0.04 0.42 0.04 0.00 0.00 177.00 177.49 3min s ILE 473 N -2.11 2.68 -0.02 0.56 -1.09 -1.26 -1.42 121.20 118.54 3min s ILE 473 Ca 0.53 -1.48 0.06 0.00 -2.23 0.00 0.00 60.65 57.53 3min s ILE 473 Cb -0.10 -2.55 -0.09 0.00 -1.58 0.00 0.00 42.46 38.14 3min s ILE 473 CO 0.22 -0.08 0.09 0.49 -1.23 0.00 0.00 174.94 174.43 3min n PHE 474 N 4.55 0.00 -0.67 3.97 3.72 -1.26 -4.51 117.46 123.26 3min n PHE 474 Ca -0.14 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.36 3min n PHE 474 Cb 0.43 -0.19 0.37 0.00 -0.94 0.00 0.00 39.48 39.15 3min n PHE 474 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3min n ASP 475 N -1.88 4.93 -4.12 4.37 5.75 -1.26 -4.88 116.55 119.45 3min n ASP 475 Ca -0.04 -2.52 -0.15 0.00 -0.01 0.00 0.00 54.79 52.07 3min n ASP 475 Cb 0.34 -0.60 -0.11 0.00 -1.03 0.00 0.00 41.12 39.72 3min n ASP 475 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3min s ARG 476 N -1.99 0.70 -0.13 0.11 1.81 -1.26 -5.15 118.95 113.03 3min s ARG 476 Ca 0.52 -0.92 -0.10 0.00 -1.72 0.00 0.00 55.73 53.51 3min s ARG 476 Cb 0.34 -0.52 -0.05 0.00 -0.45 0.00 0.00 34.95 34.28 3min s ARG 476 CO 0.23 0.10 0.20 -1.01 -0.68 0.00 0.00 175.30 174.14 3min s HIS 477 N -1.62 3.55 -0.24 -0.53 3.76 -1.26 -4.66 115.29 114.28 3min s HIS 477 Ca -0.04 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 3min s HIS 477 Cb -0.08 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.50 3min s HIS 477 CO 0.01 0.53 0.00 0.72 -0.85 0.00 0.00 174.74 175.15 3min n HIS 478 N 2.60 0.00 0.49 1.40 8.25 -1.26 -4.85 115.22 121.85 3min n HIS 478 Ca -0.17 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.41 3min n HIS 478 Cb 0.53 -1.32 0.46 0.00 1.12 0.00 0.00 29.99 30.79 3min n HIS 478 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3min n LEU 479 N -0.26 0.59 0.14 2.41 4.77 -1.26 -1.28 117.00 122.11 3min n LEU 479 Ca -0.02 0.62 0.10 0.00 -0.03 0.00 0.00 56.01 56.68 3min n LEU 479 Cb 0.30 -0.51 0.51 0.00 -2.33 0.00 0.00 43.42 41.39 3min n LEU 479 CO 0.03 -0.41 0.80 0.00 -1.33 0.00 0.00 177.39 176.49 3min n HIS 480 N -2.12 0.67 0.86 -1.77 1.44 -1.26 -1.76 115.22 111.27 3min n HIS 480 Ca 0.03 0.32 0.13 0.00 -2.01 0.00 0.00 57.72 56.20 3min n HIS 480 Cb 0.27 -1.02 0.54 0.00 0.12 0.00 0.00 29.99 29.90 3min n HIS 480 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3min n ARG 481 N -2.17 0.08 -1.10 -1.40 1.74 -0.40 -1.22 116.66 112.20 3min n ARG 481 Ca -0.00 0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.86 3min n ARG 481 Cb 0.08 -1.60 0.23 0.00 -1.02 0.00 0.00 32.46 30.15 3min n ARG 481 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3min s SER 482 N -3.50 1.07 -0.03 0.55 0.01 -0.72 -3.31 113.70 107.77 3min s SER 482 Ca 0.13 0.67 0.04 0.00 1.31 0.00 0.00 55.95 58.09 3min s SER 482 Cb 0.16 -0.94 -0.01 0.00 0.21 0.00 0.00 66.02 65.45 3min s SER 482 CO 0.54 -4.04 -0.16 -0.89 0.41 0.00 0.00 173.24 169.10 3min s THR 483 N -3.02 1.34 -0.00 1.44 2.01 -1.26 -1.92 115.64 114.23 3min s THR 483 Ca 0.71 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.02 3min s THR 483 Cb -0.10 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.26 3min s THR 483 CO 0.56 0.39 0.12 0.35 -0.69 0.00 0.00 174.62 175.35 3min n THR 484 N 3.03 0.00 -3.87 -0.82 -2.24 -1.26 -4.37 114.28 104.75 3min n THR 484 Ca -0.17 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 60.90 3min n THR 484 Cb 0.53 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 3min n THR 484 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3min s LEU 485 N -1.54 4.20 0.00 3.22 1.43 -1.26 -4.16 118.68 120.57 3min s LEU 485 Ca 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3min s LEU 485 Cb 0.00 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3min s LEU 485 CO 0.00 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3min n GLY 486 N -1.44 -1.71 0.18 -3.19 0.00 -0.21 -0.82 105.19 98.00 3min n GLY 486 Ca -0.07 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.62 3min n GLY 486 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3min h TYR 487 N -0.13 0.43 -0.05 1.61 0.05 -1.90 -1.91 116.97 115.07 3min h TYR 487 Ca 0.00 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.64 3min h TYR 487 Cb 0.13 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 3min h TYR 487 CO 0.00 0.84 -0.05 1.49 -1.05 0.00 0.00 178.16 179.40 3min h GLU 488 N 0.25 -0.06 -0.48 4.88 4.81 -1.95 -0.17 114.58 121.86 3min h GLU 488 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3min h GLU 488 Cb 1.11 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3min h GLU 488 CO 0.10 -0.04 -0.01 0.78 -0.73 0.00 0.00 179.01 179.11 3min h GLY 489 N -0.06 0.86 1.55 1.92 0.00 -0.84 -1.48 103.07 105.01 3min h GLY 489 Ca 0.04 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 3min h GLY 489 CO -0.09 0.54 -0.16 0.00 0.00 0.00 0.00 176.54 176.84 3min h ALA 490 N 1.24 1.16 -0.64 3.60 0.00 -1.16 -1.27 119.26 122.20 3min h ALA 490 Ca 0.14 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3min h ALA 490 Cb 0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3min h ALA 490 CO 0.02 0.53 0.04 0.52 0.00 0.00 0.00 179.25 180.36 3min h MET 491 N 0.49 1.10 -0.38 0.00 2.07 -0.35 -1.16 114.93 116.70 3min h MET 491 Ca 0.09 -0.33 -0.08 0.00 -2.07 0.00 0.00 59.70 57.30 3min h MET 491 Cb 0.56 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.16 3min h MET 491 CO 0.04 1.05 -0.09 1.96 1.07 0.00 0.00 176.91 180.93 3min h GLN 492 N 1.01 0.73 -0.37 1.72 4.20 -1.06 -1.58 115.11 119.76 3min h GLN 492 Ca 0.19 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 3min h GLN 492 Cb 0.52 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3min h GLN 492 CO 0.02 0.88 -0.03 0.82 -0.67 0.00 0.00 178.83 179.86 3min h ILE 493 N 0.54 1.27 -0.16 2.54 2.04 -1.10 -1.29 117.51 121.33 3min h ILE 493 Ca 0.10 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 64.94 3min h ILE 493 Cb 0.61 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 3min h ILE 493 CO 0.04 0.35 -0.06 0.25 0.00 0.00 0.00 178.15 178.73 3min h LEU 494 N 0.48 -0.19 -0.55 1.44 6.46 -1.19 0.45 115.31 122.21 3min h LEU 494 Ca 0.10 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 3min h LEU 494 Cb 0.51 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 3min h LEU 494 CO 0.02 -0.07 0.33 0.74 -0.62 0.00 0.00 178.44 178.84 3min h THR 495 N -0.03 1.07 -0.50 1.05 2.02 -1.06 -0.89 112.91 114.57 3min h THR 495 Ca 0.08 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3min h THR 495 Cb 0.15 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3min h THR 495 CO -0.18 0.12 0.26 0.74 0.37 0.00 0.00 175.52 176.83 3min h THR 496 N 0.67 1.18 0.16 3.16 2.02 -0.73 -1.21 112.91 118.15 3min h THR 496 Ca 0.22 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3min h THR 496 Cb 0.01 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3min h THR 496 CO -0.09 0.20 -0.08 -0.07 0.37 0.00 0.00 175.52 175.85 3min h LEU 497 N 0.67 -0.18 -0.89 2.58 3.38 -0.43 -0.37 115.31 120.06 3min h LEU 497 Ca 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3min h LEU 497 Cb 0.08 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3min h LEU 497 CO -0.03 0.10 0.51 0.58 0.09 0.00 0.00 178.44 179.70 3min h VAL 498 N -0.47 1.25 0.00 1.22 2.07 -1.12 -1.92 116.25 117.29 3min h VAL 498 Ca -0.02 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 3min h VAL 498 Cb 0.36 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3min h VAL 498 CO 0.04 0.28 -0.44 0.78 0.02 0.00 0.00 177.57 178.24 3min h ASN 499 N 1.24 0.00 -0.51 0.57 -0.26 -1.19 -0.52 115.58 114.92 3min h ASN 499 Ca 0.32 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.96 3min h ASN 499 Cb -0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 3min h ASN 499 CO -0.06 0.44 -0.05 0.28 -1.06 0.00 0.00 177.43 176.99 3min h SER 500 N 0.00 0.92 -0.25 5.81 0.02 -0.53 0.22 113.55 119.74 3min h SER 500 Ca -0.00 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 3min h SER 500 Cb 1.12 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 3min h SER 500 CO 0.06 1.03 0.12 0.40 -1.14 0.00 0.00 176.83 177.29 3min h ILE 501 N 0.79 0.99 -0.10 3.27 2.04 -1.10 -2.06 117.51 121.34 3min h ILE 501 Ca 0.14 -0.09 -0.14 0.00 1.00 0.00 0.00 64.86 65.77 3min h ILE 501 Cb 0.59 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3min h ILE 501 CO 0.04 0.05 -0.57 -0.07 0.00 0.00 0.00 178.15 177.59 3min h LEU 502 N 0.25 0.33 -0.46 1.44 3.38 -0.91 -0.21 115.31 119.14 3min h LEU 502 Ca 0.10 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3min h LEU 502 Cb 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3min h LEU 502 CO -0.08 0.83 0.05 -0.33 0.09 0.00 0.00 178.44 179.00 3min h GLU 503 N 0.23 0.78 -0.65 1.13 4.39 -0.87 -0.05 114.58 119.53 3min h GLU 503 Ca -0.00 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 3min h GLU 503 Cb 1.06 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 3min h GLU 503 CO 0.09 0.81 0.25 -0.09 -1.16 0.00 0.00 179.01 178.91 3min h ARG 504 N 0.64 0.98 -0.74 2.33 9.65 -1.21 -0.26 114.38 125.76 3min h ARG 504 Ca 0.14 -0.19 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 3min h ARG 504 Cb 0.43 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 3min h ARG 504 CO 0.01 0.83 0.38 1.25 2.80 0.00 0.00 179.97 185.25 3min h LEU 505 N 0.92 0.95 -1.26 3.80 6.46 -0.77 -1.25 115.31 124.16 3min h LEU 505 Ca 0.21 -0.12 -0.08 0.00 -0.12 0.00 0.00 57.88 57.78 3min h LEU 505 Cb 0.23 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 3min h LEU 505 CO -0.01 0.80 -0.34 0.44 -0.62 0.00 0.00 178.44 178.71 3min h ASP 506 N 1.03 0.05 -0.26 1.25 3.32 -0.34 -1.41 116.42 120.06 3min h ASP 506 Ca 0.26 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 3min h ASP 506 Cb 0.08 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3min h ASP 506 CO -0.04 0.39 -0.30 -0.08 -1.72 0.00 0.00 179.24 177.50 3min h GLU 507 N 0.05 0.66 -0.06 3.56 4.81 -0.44 -2.55 114.58 120.61 3min h GLU 507 Ca 0.00 -0.36 -0.09 0.00 -0.13 0.00 0.00 59.36 58.78 3min h GLU 507 Cb 0.62 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3min h GLU 507 CO 0.05 0.97 -0.35 0.93 -0.73 0.00 0.00 179.01 179.88 3min h GLU 508 N 0.38 0.13 -0.71 1.92 5.08 -1.05 -3.12 114.58 117.21 3min h GLU 508 Ca 0.04 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3min h GLU 508 Cb 0.87 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 3min h GLU 508 CO 0.07 0.47 0.14 0.25 -1.00 0.00 0.00 179.01 178.94 3min n THR 509 N -4.09 2.62 0.40 1.13 -2.24 -0.55 -4.40 114.28 107.15 3min n THR 509 Ca -0.02 -1.37 0.08 0.00 -2.27 0.00 0.00 64.05 60.48 3min n THR 509 Cb 0.42 -0.35 0.23 0.00 -2.10 0.00 0.00 70.33 68.52 3min n THR 509 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3min n ARG 510 N 0.21 2.18 -2.68 -0.78 0.63 -0.97 -2.94 116.66 112.32 3min n ARG 510 Ca 0.32 -1.83 -0.43 0.00 -0.92 0.00 0.00 57.85 54.99 3min n ARG 510 Cb 1.22 -1.40 -0.03 0.00 0.45 0.00 0.00 32.46 32.70 3min n ARG 510 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3min s GLY 511 N -1.03 1.43 -0.15 5.14 0.00 -1.26 -4.82 107.32 106.63 3min s GLY 511 Ca 0.34 -0.42 -0.34 0.00 0.00 0.00 0.00 44.72 44.30 3min s GLY 511 CO 0.24 2.25 1.95 -0.13 0.00 0.00 0.00 173.10 177.41 3min n MET 512 N 7.33 1.94 -0.74 2.90 1.56 -1.26 -0.84 117.12 128.00 3min n MET 512 Ca 0.10 0.68 0.00 0.00 -0.27 0.00 0.00 57.70 58.21 3min n MET 512 Cb 0.48 -2.64 0.00 0.00 2.15 0.00 0.00 33.22 33.22 3min n MET 512 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 3min n GLN 513 N 6.99 -0.40 -0.02 2.12 7.27 -1.26 -4.78 117.38 127.30 3min n GLN 513 Ca 0.26 0.10 -0.04 0.00 0.07 0.00 0.00 57.00 57.40 3min n GLN 513 Cb 0.29 -4.06 -0.01 0.00 2.41 0.00 0.00 30.24 28.86 3min n GLN 513 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3min n ALA 514 N 1.00 1.56 0.05 1.69 0.00 -0.02 -4.87 120.51 119.93 3min n ALA 514 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.07 3min n ALA 514 Cb 0.10 0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.62 3min n ALA 514 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3min n THR 515 N -3.55 0.00 0.98 0.00 -2.24 -0.34 -4.74 114.28 104.39 3min n THR 515 Ca -0.06 -0.46 0.03 0.00 -2.27 0.00 0.00 64.05 61.29 3min n THR 515 Cb 0.21 0.98 0.16 0.00 -2.10 0.00 0.00 70.33 69.58 3min n THR 515 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3min n ASP 516 N -1.04 0.00 0.03 3.42 5.75 -0.46 -2.21 116.55 122.04 3min n ASP 516 Ca 0.00 -0.81 0.02 0.00 -0.01 0.00 0.00 54.79 53.99 3min n ASP 516 Cb 0.02 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 40.48 3min n ASP 516 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 3min h TYR 517 N 0.00 0.46 -0.98 2.11 -0.00 -1.85 -1.98 116.97 114.73 3min h TYR 517 Ca 0.00 -0.02 -0.53 0.00 0.00 0.00 0.00 58.73 58.18 3min h TYR 517 Cb 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 36.73 36.29 3min h TYR 517 CO 0.00 0.40 0.67 -1.71 -0.00 0.00 0.00 178.16 177.52 3min n ASN 518 N -4.36 4.15 -3.80 0.10 5.15 -0.94 -4.73 115.26 110.82 3min n ASN 518 Ca 0.01 -3.60 -0.42 0.00 -0.60 0.00 0.00 54.58 49.98 3min n ASN 518 Cb 0.17 -0.85 0.01 0.00 -0.53 0.00 0.00 39.78 38.59 3min n ASN 518 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3min n HIS 519 N -1.09 2.52 -1.75 1.20 -0.00 -0.75 -4.88 115.22 110.47 3min n HIS 519 Ca 0.59 -2.57 -0.42 0.00 0.46 0.00 0.00 57.72 55.78 3min n HIS 519 Cb 1.55 -1.22 -0.02 0.00 -0.12 0.00 0.00 29.99 30.19 3min n HIS 519 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3min n ASP 520 N 0.58 3.95 -0.18 0.26 9.92 -1.26 -4.94 116.55 124.88 3min n ASP 520 Ca 0.37 1.14 -0.09 0.00 -0.53 0.00 0.00 54.79 55.68 3min n ASP 520 Cb 0.29 -1.60 0.01 0.00 -0.64 0.00 0.00 41.12 39.18 3min n ASP 520 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3min h LEU 521 N 4.97 0.81 -8.90 0.64 5.85 -2.00 -3.42 115.31 113.27 3min h LEU 521 Ca -0.47 -0.27 -0.63 0.00 0.84 0.00 0.00 57.88 57.35 3min h LEU 521 Cb 1.22 -0.22 -0.20 0.00 0.37 0.00 0.00 40.66 41.83 3min h LEU 521 CO 0.81 0.88 -0.64 -0.69 -0.34 0.00 0.00 178.44 178.45 3min s VAL 522 N -5.16 4.11 0.00 1.05 1.01 -1.26 -5.29 120.40 114.86 3min s VAL 522 Ca -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3min s VAL 522 Cb 0.12 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3min s VAL 522 CO 0.81 0.48 0.02 0.54 0.00 0.00 0.00 175.10 176.95