#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h29 n GLY 39 N 0.00 1.40 3.85 0.55 0.00 0.12 -5.01 105.19 106.10 1h29 n GLY 39 Ca 0.00 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 1h29 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h29 s GLU 40 N 3.14 3.56 -0.06 1.61 2.02 -1.26 -4.58 118.70 123.13 1h29 s GLU 40 Ca 0.00 0.89 -0.20 0.00 0.02 0.00 0.00 54.97 55.68 1h29 s GLU 40 Cb 0.00 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.11 1h29 s GLU 40 CO 0.00 -0.59 0.55 0.15 0.02 0.00 0.00 175.26 175.39 1h29 s LYS 41 N -4.74 4.31 0.30 1.61 1.02 -1.26 -1.39 119.74 119.61 1h29 s LYS 41 Ca 0.57 0.62 0.07 0.00 0.02 0.00 0.00 55.97 57.25 1h29 s LYS 41 Cb -0.12 -3.39 -0.06 0.00 -0.52 0.00 0.00 37.83 33.75 1h29 s LYS 41 CO 0.46 0.26 -0.05 1.03 -0.92 0.00 0.00 175.35 176.13 1h29 s ARG 42 N 0.21 1.62 0.00 1.68 0.52 0.23 -4.75 118.95 118.46 1h29 s ARG 42 Ca 0.29 -1.84 0.00 0.00 -0.52 0.00 0.00 55.73 53.67 1h29 s ARG 42 Cb -0.17 -1.25 0.00 0.00 0.52 0.00 0.00 34.95 34.05 1h29 s ARG 42 CO 0.14 0.03 0.71 0.00 0.02 0.00 0.00 175.30 176.20 1h29 n ALA 43 N -0.65 1.95 -1.06 2.13 0.00 -1.26 0.10 120.51 121.73 1h29 n ALA 43 Ca -0.05 -0.71 0.08 0.00 0.00 0.00 0.00 53.44 52.76 1h29 n ALA 43 Cb 0.64 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.31 1h29 n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h29 n ASP 44 N -0.24 3.30 -4.73 0.00 3.85 -1.26 -4.47 116.55 113.00 1h29 n ASP 44 Ca 0.00 -3.11 -0.41 0.00 -0.71 0.00 0.00 54.79 50.56 1h29 n ASP 44 Cb 0.18 -0.52 -0.04 0.00 -1.35 0.00 0.00 41.12 39.39 1h29 n ASP 44 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1h29 s LEU 45 N -2.88 4.48 -0.08 -2.12 1.43 -1.26 -1.71 118.68 116.54 1h29 s LEU 45 Ca 0.39 1.90 0.03 0.00 -1.03 0.00 0.00 54.13 55.43 1h29 s LEU 45 Cb 0.33 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.96 1h29 s LEU 45 CO 0.06 -0.15 -0.18 -0.63 0.23 0.00 0.00 176.35 175.68 1h29 s ILE 46 N 0.02 1.59 -0.51 -0.59 1.01 -0.57 -4.98 121.20 117.18 1h29 s ILE 46 Ca 0.49 -0.75 -0.22 0.00 0.00 0.00 0.00 60.65 60.16 1h29 s ILE 46 Cb -0.26 -1.40 0.04 0.00 0.01 0.00 0.00 42.46 40.86 1h29 s ILE 46 CO 0.31 0.46 0.79 -0.70 0.00 0.00 0.00 174.94 175.80 1h29 s GLU 47 N 0.45 3.28 -0.51 2.79 2.12 -1.26 -1.43 118.70 124.14 1h29 s GLU 47 Ca -0.15 -0.44 -0.29 0.00 0.36 0.00 0.00 54.97 54.45 1h29 s GLU 47 Cb -0.16 -4.03 0.02 0.00 0.26 0.00 0.00 34.13 30.21 1h29 s GLU 47 CO 0.06 -1.29 1.27 0.42 -0.54 0.00 0.00 175.26 175.18 1h29 s ILE 48 N 3.31 4.00 -0.11 -3.70 1.01 0.32 -4.74 121.20 121.28 1h29 s ILE 48 Ca 0.25 0.96 0.24 0.00 0.00 0.00 0.00 60.65 62.10 1h29 s ILE 48 Cb -0.15 -4.51 0.46 0.00 0.01 0.00 0.00 42.46 38.27 1h29 s ILE 48 CO 0.18 -1.07 1.15 0.61 0.00 0.00 0.00 174.94 175.80 1h29 n GLY 49 N 5.04 1.53 0.26 6.18 0.00 -1.26 -1.23 105.19 115.71 1h29 n GLY 49 Ca 0.12 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.27 1h29 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h29 h ALA 50 N 1.63 1.56 0.00 4.61 0.00 -2.01 -2.51 119.26 122.54 1h29 h ALA 50 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1h29 h ALA 50 Cb 1.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1h29 h ALA 50 CO 0.14 0.11 0.00 -1.33 0.00 0.00 0.00 179.25 178.17 1h29 n MET 51 N -4.01 0.01 0.30 0.00 2.81 -1.26 -3.37 117.12 111.59 1h29 n MET 51 Ca -0.02 0.02 0.20 0.00 -1.81 0.00 0.00 57.70 56.08 1h29 n MET 51 Cb 0.17 -1.50 0.96 0.00 -0.71 0.00 0.00 33.22 32.14 1h29 n MET 51 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1h29 h GLU 52 N 0.00 0.00 -0.57 0.03 4.81 -1.66 -2.26 114.58 114.94 1h29 h GLU 52 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1h29 h GLU 52 Cb 0.47 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1h29 h GLU 52 CO 0.00 0.00 0.38 0.00 -0.73 0.00 0.00 179.01 178.66 1h29 h ARG 53 N 0.00 0.67 -0.08 1.92 3.08 -1.78 -2.97 114.38 115.22 1h29 h ARG 53 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1h29 h ARG 53 Cb 0.21 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1h29 h ARG 53 CO 0.00 0.44 0.00 1.19 -1.07 0.00 0.00 179.97 180.53 1h29 n PHE 54 N -4.46 0.08 0.00 3.04 3.01 -0.85 -5.04 117.46 113.24 1h29 n PHE 54 Ca 0.06 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1h29 n PHE 54 Cb 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1h29 n PHE 54 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h29 n GLY 55 N 1.31 2.83 3.63 1.37 0.00 -1.12 -5.04 105.19 108.17 1h29 n GLY 55 Ca 0.16 -1.80 -0.48 0.00 0.00 0.00 0.00 46.02 43.90 1h29 n GLY 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h29 n LYS 56 N -1.90 1.68 -2.58 1.61 0.00 -1.26 -4.42 118.16 111.29 1h29 n LYS 56 Ca 0.00 0.60 -0.41 0.00 0.00 0.00 0.00 58.31 58.50 1h29 n LYS 56 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 35.03 32.74 1h29 n LYS 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1h29 s LEU 57 N 0.54 4.45 -0.01 3.14 1.43 -1.26 -4.97 118.68 122.01 1h29 s LEU 57 Ca 0.76 1.93 -0.23 0.00 -1.03 0.00 0.00 54.13 55.56 1h29 s LEU 57 Cb -0.77 -3.59 -0.19 0.00 0.03 0.00 0.00 46.19 41.67 1h29 s LEU 57 CO 0.46 -0.24 1.24 0.44 0.23 0.00 0.00 176.35 178.48 1h29 h ASP 58 N 5.85 0.20 -1.69 2.29 3.32 -2.01 -3.47 116.42 120.92 1h29 h ASP 58 Ca -0.43 -0.55 -0.48 0.00 0.02 0.00 0.00 57.03 55.59 1h29 h ASP 58 Cb 1.21 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1h29 h ASP 58 CO 0.75 0.71 -0.39 -0.76 -1.72 0.00 0.00 179.24 177.83 1h29 s LEU 59 N -9.01 3.57 0.67 1.55 1.43 -1.26 -5.10 118.68 110.53 1h29 s LEU 59 Ca -0.15 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.24 1h29 s LEU 59 Cb 0.03 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1h29 s LEU 59 CO 0.72 -0.51 1.06 -2.65 0.23 0.00 0.00 176.35 175.20 1h29 n PRO 60 N -1.51 0.76 -0.62 1.29 -0.02 -1.26 -5.02 135.00 128.62 1h29 n PRO 60 Ca 0.01 0.31 -0.29 0.00 -2.02 0.00 0.00 63.50 61.51 1h29 n PRO 60 Cb 0.60 -2.30 0.22 0.00 -0.02 0.00 0.00 33.50 32.00 1h29 n PRO 60 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1h29 s LYS 61 N -3.21 -0.12 -0.29 -0.52 1.02 -1.26 -4.66 119.74 110.70 1h29 s LYS 61 Ca 0.77 1.12 -0.01 0.00 0.02 0.00 0.00 55.97 57.87 1h29 s LYS 61 Cb -0.37 -1.63 0.05 0.00 -0.52 0.00 0.00 37.83 35.36 1h29 s LYS 61 CO 0.46 -3.27 -0.02 0.08 -0.92 0.00 0.00 175.35 171.68 1h29 s VAL 62 N -2.54 2.89 0.29 3.17 1.01 -0.37 -4.04 120.40 120.80 1h29 s VAL 62 Ca 0.68 -1.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 1h29 s VAL 62 Cb -0.24 -2.63 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 1h29 s VAL 62 CO 0.62 -0.05 1.33 0.00 0.00 0.00 0.00 175.10 177.00 1h29 s ALA 63 N 1.25 3.53 -0.07 5.51 0.00 -1.25 -0.52 121.76 130.21 1h29 s ALA 63 Ca -0.05 1.24 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 1h29 s ALA 63 Cb -0.19 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.47 1h29 s ALA 63 CO -0.02 -0.63 0.12 0.12 0.00 0.00 0.00 175.76 175.35 1h29 s PHE 64 N -0.63 -0.10 -0.55 0.00 5.36 -0.51 -4.94 117.98 116.61 1h29 s PHE 64 Ca 0.53 0.48 -0.21 0.00 -0.96 0.00 0.00 56.93 56.76 1h29 s PHE 64 Cb -0.39 -0.31 0.06 0.00 -0.34 0.00 0.00 43.02 42.03 1h29 s PHE 64 CO 0.47 -0.23 0.80 1.03 -1.46 0.00 0.00 175.22 175.83 1h29 s ARG 65 N 2.12 3.19 0.11 10.12 0.52 -1.26 -1.51 118.95 132.25 1h29 s ARG 65 Ca 0.02 -0.68 -0.14 0.00 -0.52 0.00 0.00 55.73 54.41 1h29 s ARG 65 Cb -0.12 -4.12 -0.08 0.00 0.52 0.00 0.00 34.95 31.16 1h29 s ARG 65 CO -0.05 -1.44 1.43 1.25 0.02 0.00 0.00 175.30 176.51 1h29 h HIS 66 N 9.22 0.95 -0.10 -0.53 2.76 -1.71 -1.90 115.15 123.83 1h29 h HIS 66 Ca -0.27 -0.30 -0.03 0.00 -2.20 0.00 0.00 60.37 57.58 1h29 h HIS 66 Cb 1.08 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.85 1h29 h HIS 66 CO 0.85 1.08 -0.04 -0.44 -1.30 0.00 0.00 177.93 178.08 1h29 h ASP 67 N 0.54 0.20 -1.12 3.26 3.32 -1.92 0.18 116.42 120.88 1h29 h ASP 67 Ca 0.04 -0.40 0.33 0.00 0.02 0.00 0.00 57.03 57.02 1h29 h ASP 67 Cb 0.94 -0.06 -0.11 0.00 0.22 0.00 0.00 39.33 40.32 1h29 h ASP 67 CO 0.09 0.56 0.71 -0.61 -1.72 0.00 0.00 179.24 178.27 1h29 h GLN 68 N -0.15 0.28 0.13 3.56 4.15 -1.92 0.87 115.11 122.03 1h29 h GLN 68 Ca 0.02 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.25 1h29 h GLN 68 Cb 0.48 -0.06 0.02 0.00 0.21 0.00 0.00 27.48 28.12 1h29 h GLN 68 CO 0.01 0.19 -0.80 0.45 -1.93 0.00 0.00 178.83 176.75 1h29 h HIS 69 N 0.29 0.50 -0.67 3.99 3.86 -0.39 -2.77 115.15 119.97 1h29 h HIS 69 Ca 0.68 -0.37 -0.04 0.00 -1.16 0.00 0.00 60.37 59.49 1h29 h HIS 69 Cb 1.86 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 30.28 1h29 h HIS 69 CO -0.00 1.31 0.27 1.79 0.86 0.00 0.00 177.93 182.15 1h29 h THR 70 N -0.41 1.23 -0.42 2.45 1.35 0.26 -0.96 112.91 116.41 1h29 h THR 70 Ca -0.14 -0.71 -0.13 0.00 -0.55 0.00 0.00 66.41 64.88 1h29 h THR 70 Cb 1.61 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1h29 h THR 70 CO 0.13 0.29 -0.25 0.71 -0.25 0.00 0.00 175.52 176.15 1h29 h THR 71 N 0.96 1.27 -0.32 6.82 1.35 -0.92 1.00 112.91 123.06 1h29 h THR 71 Ca 0.23 -1.40 -0.06 0.00 -0.55 0.00 0.00 66.41 64.62 1h29 h THR 71 Cb 0.17 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.79 1h29 h THR 71 CO -0.02 0.47 -0.07 0.00 -0.25 0.00 0.00 175.52 175.65 1h29 h ALA 72 N 0.95 1.27 -0.18 6.62 0.00 -1.23 -1.58 119.26 125.13 1h29 h ALA 72 Ca 0.09 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1h29 h ALA 72 Cb 0.80 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1h29 h ALA 72 CO 0.07 0.48 -0.45 0.28 0.00 0.00 0.00 179.25 179.63 1h29 h VAL 73 N 0.50 1.33 -0.85 0.00 2.07 -0.74 -1.89 116.25 116.67 1h29 h VAL 73 Ca 0.10 -1.70 0.08 0.00 0.82 0.00 0.00 66.70 66.00 1h29 h VAL 73 Cb 0.44 1.94 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 1h29 h VAL 73 CO 0.02 0.53 0.51 0.74 0.02 0.00 0.00 177.57 179.39 1h29 h THR 74 N 0.29 0.97 -0.64 2.57 2.02 -0.69 -1.80 112.91 115.63 1h29 h THR 74 Ca -0.01 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1h29 h THR 74 Cb 1.07 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1h29 h THR 74 CO 0.10 0.16 0.35 1.23 0.37 0.00 0.00 175.52 177.73 1h29 h GLY 75 N 0.89 0.94 2.00 2.16 0.00 -1.04 -1.16 103.07 106.86 1h29 h GLY 75 Ca 0.39 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1h29 h GLY 75 CO -0.21 0.39 0.00 1.03 0.00 0.00 0.00 176.54 177.75 1h29 n MET 76 N -4.38 0.04 -0.24 4.80 2.81 -0.73 -4.88 117.12 114.53 1h29 n MET 76 Ca 0.06 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 1h29 n MET 76 Cb 0.09 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 1h29 n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h29 n GLY 77 N 0.40 0.69 1.30 3.03 0.00 -0.44 -5.07 105.19 105.10 1h29 n GLY 77 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1h29 n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h29 n LYS 78 N -2.07 0.61 0.00 1.61 5.02 -0.72 -5.00 118.16 117.61 1h29 n LYS 78 Ca 0.00 -0.97 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 1h29 n LYS 78 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 1h29 n LYS 78 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1h29 n ASP 79 N -2.88 0.00 -0.35 4.39 3.85 -1.26 -3.88 116.55 116.43 1h29 n ASP 79 Ca 0.05 0.00 0.06 0.00 -0.71 0.00 0.00 54.79 54.20 1h29 n ASP 79 Cb 0.20 0.00 0.24 0.00 -1.35 0.00 0.00 41.12 40.21 1h29 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1h29 h ALA 81 N 1.52 1.00 0.00 0.00 0.00 -1.97 -0.25 119.26 119.56 1h29 h ALA 81 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1h29 h ALA 81 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1h29 h ALA 81 CO -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.03 1h29 h ALA 82 N 2.00 1.00 0.00 0.00 0.00 -1.78 -3.33 119.26 117.15 1h29 h ALA 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h29 h ALA 82 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1h29 h ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1h29 s HIS 84 N -0.44 2.85 0.55 0.00 3.76 -0.19 0.08 115.29 121.91 1h29 s HIS 84 Ca 0.00 -0.95 -0.06 0.00 -0.15 0.00 0.00 55.06 53.90 1h29 s HIS 84 Cb 0.00 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.72 1h29 s HIS 84 CO 0.00 -0.45 0.87 0.15 -0.85 0.00 0.00 174.74 174.46 1h29 s LYS 85 N 0.94 3.28 0.02 1.40 1.02 -1.26 -4.08 119.74 121.06 1h29 s LYS 85 Ca -0.02 0.19 0.07 0.00 0.02 0.00 0.00 55.97 56.23 1h29 s LYS 85 Cb -0.15 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 1h29 s LYS 85 CO -0.01 -0.47 -0.22 -1.12 -0.92 0.00 0.00 175.35 172.62 1h29 s SER 86 N -4.20 2.58 -0.07 2.83 0.01 -1.26 -1.41 113.70 112.19 1h29 s SER 86 Ca 0.51 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 57.27 1h29 s SER 86 Cb -0.10 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 65.91 1h29 s SER 86 CO 0.46 0.21 0.01 -0.75 0.41 0.00 0.00 173.24 173.58 1h29 s LYS 87 N -0.97 0.47 -0.61 12.44 2.20 -0.41 -4.85 119.74 128.02 1h29 s LYS 87 Ca 0.08 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1h29 s LYS 87 Cb -0.09 -0.90 0.00 0.00 -1.51 0.00 0.00 37.83 35.33 1h29 s LYS 87 CO 0.01 -0.31 0.00 -0.25 -0.36 0.00 0.00 175.35 174.44 1h29 n ASP 88 N 5.18 -2.70 0.00 1.43 9.92 -1.26 -3.18 116.55 125.94 1h29 n ASP 88 Ca -0.06 -0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1h29 n ASP 88 Cb 0.50 -1.99 0.00 0.00 -0.64 0.00 0.00 41.12 38.99 1h29 n ASP 88 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1h29 n GLY 89 N -1.05 2.80 3.85 0.44 0.00 -1.26 -5.04 105.19 104.93 1h29 n GLY 89 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1h29 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h29 s LYS 90 N -0.54 3.82 0.06 1.61 1.02 -1.19 -5.08 119.74 119.43 1h29 s LYS 90 Ca 0.00 0.27 -0.17 0.00 0.02 0.00 0.00 55.97 56.09 1h29 s LYS 90 Cb 0.00 -3.10 -0.06 0.00 -0.52 0.00 0.00 37.83 34.15 1h29 s LYS 90 CO 0.00 0.62 0.51 1.41 -0.92 0.00 0.00 175.35 176.97 1h29 s MET 91 N -1.53 4.06 0.18 1.68 -2.45 -1.26 -1.29 119.30 118.69 1h29 s MET 91 Ca 0.28 0.58 -0.15 0.00 -1.25 0.00 0.00 55.69 55.16 1h29 s MET 91 Cb -0.15 -3.19 -0.07 0.00 1.25 0.00 0.00 34.83 32.67 1h29 s MET 91 CO 0.16 0.64 0.59 0.45 1.05 0.00 0.00 175.02 177.90 1h29 s SER 92 N -1.19 6.84 0.00 1.11 0.15 -0.50 -4.96 113.70 115.15 1h29 s SER 92 Ca 0.28 1.12 0.24 0.00 0.70 0.00 0.00 55.95 58.29 1h29 s SER 92 Cb -0.18 -2.31 0.87 0.00 -1.71 0.00 0.00 66.02 62.70 1h29 s SER 92 CO 0.17 0.06 1.63 0.18 1.20 0.00 0.00 173.24 176.47 1h29 n LEU 93 N 0.62 1.59 -4.84 3.45 4.77 -1.26 -4.59 117.00 116.74 1h29 n LEU 93 Ca -0.04 -0.62 -0.34 0.00 -0.03 0.00 0.00 56.01 54.98 1h29 n LEU 93 Cb 0.52 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1h29 n LEU 93 CO 0.43 0.31 0.32 -0.54 -1.33 0.00 0.00 177.39 176.58 1h29 s LYS 94 N -1.87 4.03 -0.15 3.23 1.02 -1.26 -5.04 119.74 119.70 1h29 s LYS 94 Ca 0.35 0.60 -0.29 0.00 0.02 0.00 0.00 55.97 56.64 1h29 s LYS 94 Cb 0.19 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 1h29 s LYS 94 CO 0.29 0.35 1.38 0.12 -0.92 0.00 0.00 175.35 176.57 1h29 s PHE 95 N -1.66 2.59 -1.71 3.18 5.36 -1.26 -4.30 117.98 120.18 1h29 s PHE 95 Ca 0.45 0.78 -0.19 0.00 -0.96 0.00 0.00 56.93 57.01 1h29 s PHE 95 Cb -0.14 -3.65 0.16 0.00 -0.34 0.00 0.00 43.02 39.06 1h29 s PHE 95 CO 0.20 -2.29 0.78 -1.33 -1.46 0.00 0.00 175.22 171.12 1h29 n MET 96 N 6.82 -3.02 -3.65 10.12 2.81 0.11 -4.89 117.12 125.42 1h29 n MET 96 Ca 0.15 0.36 -0.03 0.00 -1.81 0.00 0.00 57.70 56.36 1h29 n MET 96 Cb 0.44 -5.07 -0.01 0.00 -0.71 0.00 0.00 33.22 27.87 1h29 n MET 96 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1h29 s ARG 97 N -6.95 0.81 -0.07 0.03 1.70 -1.26 -4.97 118.95 108.24 1h29 s ARG 97 Ca 0.74 -0.41 0.15 0.00 -0.47 0.00 0.00 55.73 55.75 1h29 s ARG 97 Cb -0.41 0.30 -0.23 0.00 -0.57 0.00 0.00 34.95 34.05 1h29 s ARG 97 CO 0.93 -0.37 0.24 1.28 -1.08 0.00 0.00 175.30 176.31 1h29 n LEU 98 N -0.38 0.00 -4.03 -1.89 4.77 -1.26 -4.61 117.00 109.60 1h29 n LEU 98 Ca -0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.83 1h29 n LEU 98 Cb 0.61 0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.75 1h29 n LEU 98 CO 0.12 0.13 -0.25 -1.81 -1.33 0.00 0.00 177.39 174.25 1h29 s ASP 99 N -4.21 0.32 -0.59 -1.43 1.11 -1.26 -5.01 116.67 105.60 1h29 s ASP 99 Ca -0.06 -0.94 -0.20 0.00 0.18 0.00 0.00 52.55 51.53 1h29 s ASP 99 Cb 0.08 0.27 0.09 0.00 1.07 0.00 0.00 42.92 44.44 1h29 s ASP 99 CO 0.65 -0.68 0.74 -1.81 1.18 0.00 0.00 175.17 175.24 1h29 s ASP 100 N -2.93 6.19 -0.02 0.27 -0.00 -1.26 -4.92 116.67 113.99 1h29 s ASP 100 Ca 0.11 -1.25 0.15 0.00 -0.00 0.00 0.00 52.55 51.55 1h29 s ASP 100 Cb 0.07 -2.32 -0.20 0.00 -0.00 0.00 0.00 42.92 40.46 1h29 s ASP 100 CO -0.07 -1.13 0.66 0.59 -0.00 0.00 0.00 175.17 175.21 1h29 n ASN 101 N 6.55 0.77 -3.63 0.27 4.13 -1.26 -5.00 115.26 117.08 1h29 n ASN 101 Ca -0.08 0.36 -0.05 0.00 1.68 0.00 0.00 54.58 56.49 1h29 n ASN 101 Cb 0.43 0.15 -0.02 0.00 -1.54 0.00 0.00 39.78 38.81 1h29 n ASN 101 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1h29 s SER 102 N -5.89 -0.24 0.13 6.41 1.04 -1.26 -4.98 113.70 108.90 1h29 s SER 102 Ca -0.05 -0.19 -0.21 0.00 0.48 0.00 0.00 55.95 55.98 1h29 s SER 102 Cb 0.08 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1h29 s SER 102 CO 0.82 -0.70 1.69 0.00 0.98 0.00 0.00 173.24 176.03 1h29 h ALA 103 N 2.00 0.05 -0.57 5.32 0.00 -1.94 -2.16 119.26 121.95 1h29 h ALA 103 Ca -0.23 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1h29 h ALA 103 Cb 1.23 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1h29 h ALA 103 CO 0.28 -0.53 0.15 0.00 0.00 0.00 0.00 179.25 179.15 1h29 h ALA 104 N 1.06 0.76 -0.63 0.00 0.00 -1.99 -0.63 119.26 117.82 1h29 h ALA 104 Ca 0.09 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1h29 h ALA 104 Cb 0.21 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1h29 h ALA 104 CO -0.21 0.45 0.39 1.49 0.00 0.00 0.00 179.25 181.37 1h29 h GLU 105 N 0.82 0.75 -0.35 0.00 4.81 -1.93 -1.54 114.58 117.14 1h29 h GLU 105 Ca 0.18 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1h29 h GLU 105 Cb 0.33 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1h29 h GLU 105 CO -0.00 0.49 0.21 -0.07 -0.73 0.00 0.00 179.01 178.92 1h29 h LEU 106 N 0.77 0.42 -1.15 1.64 3.38 -1.15 -0.35 115.31 118.88 1h29 h LEU 106 Ca 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1h29 h LEU 106 Cb 0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1h29 h LEU 106 CO -0.10 0.35 0.50 0.50 0.09 0.00 0.00 178.44 179.78 1h29 h LYS 107 N 0.46 1.08 -0.41 1.13 3.64 -0.90 -1.64 116.57 119.93 1h29 h LYS 107 Ca 0.13 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 1h29 h LYS 107 Cb 0.00 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1h29 h LYS 107 CO -0.02 0.74 -0.18 1.49 -2.27 0.00 0.00 179.45 179.21 1h29 h GLU 108 N 1.11 0.84 -0.73 1.90 4.57 -0.95 -1.94 114.58 119.37 1h29 h GLU 108 Ca 0.29 -0.36 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 1h29 h GLU 108 Cb -0.08 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 1h29 h GLU 108 CO -0.06 0.99 0.21 0.82 -1.18 0.00 0.00 179.01 179.79 1h29 h ILE 109 N 0.65 1.26 0.18 2.32 2.04 -0.30 -0.85 117.51 122.82 1h29 h ILE 109 Ca 0.09 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1h29 h ILE 109 Cb 0.73 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1h29 h ILE 109 CO 0.06 0.37 -0.09 1.88 0.00 0.00 0.00 178.15 180.37 1h29 h TYR 110 N 1.09 -0.22 -0.19 1.37 -1.99 -1.28 -2.46 116.97 113.29 1h29 h TYR 110 Ca 0.23 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.95 1h29 h TYR 110 Cb 0.34 0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 1h29 h TYR 110 CO 0.03 0.20 0.09 0.45 -0.00 0.00 0.00 178.16 178.93 1h29 h HIS 111 N -0.82 0.27 -0.19 4.88 3.86 -1.36 0.13 115.15 121.91 1h29 h HIS 111 Ca -0.02 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1h29 h HIS 111 Cb 0.52 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1h29 h HIS 111 CO 0.08 0.29 0.11 0.00 0.86 0.00 0.00 177.93 179.26 1h29 h ALA 112 N 0.96 0.24 0.15 2.45 0.00 -1.26 -2.73 119.26 119.07 1h29 h ALA 112 Ca 0.06 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 1h29 h ALA 112 Cb 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1h29 h ALA 112 CO -0.01 -0.30 -1.68 -0.91 0.00 0.00 0.00 179.25 176.35 1h29 h ASN 113 N 0.23 0.49 0.75 0.00 2.35 -1.35 -1.65 115.58 116.41 1h29 h ASN 113 Ca 0.08 -0.91 -0.04 0.00 -0.55 0.00 0.00 56.30 54.88 1h29 h ASN 113 Cb -0.00 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.21 1h29 h ASN 113 CO -0.04 1.74 -0.36 0.00 -1.65 0.00 0.00 177.43 177.13 1h29 h ILE 115 N -1.02 1.28 -0.95 0.00 2.04 -1.61 -3.03 117.51 114.22 1h29 h ILE 115 Ca -0.10 -1.74 0.10 0.00 1.00 0.00 0.00 64.86 64.12 1h29 h ILE 115 Cb 0.78 1.67 -0.13 0.00 -0.74 0.00 0.00 36.82 38.40 1h29 h ILE 115 CO 0.17 0.57 -0.50 0.61 0.00 0.00 0.00 178.15 178.99 1h29 n GLY 116 N 0.40 -2.31 0.06 5.37 0.00 -0.62 0.48 105.19 108.56 1h29 n GLY 116 Ca -0.05 1.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.97 1h29 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h29 h HIS 118 N -0.01 0.99 -0.35 0.00 -0.00 -1.07 -0.47 115.15 114.23 1h29 h HIS 118 Ca 0.02 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.39 1h29 h HIS 118 Cb 0.04 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 1h29 h HIS 118 CO -0.11 0.40 0.09 1.15 -0.00 0.00 0.00 177.93 179.46 1h29 h THR 119 N 0.89 1.22 -0.47 2.45 2.02 0.27 -2.22 112.91 117.07 1h29 h THR 119 Ca 0.45 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1h29 h THR 119 Cb 0.43 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1h29 h THR 119 CO -0.26 0.25 0.15 0.44 0.37 0.00 0.00 175.52 176.47 1h29 h ASP 120 N 0.41 0.68 -0.79 4.18 3.32 0.14 -1.82 116.42 122.55 1h29 h ASP 120 Ca 0.11 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1h29 h ASP 120 Cb 0.28 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1h29 h ASP 120 CO -0.00 0.71 0.30 -0.07 -1.72 0.00 0.00 179.24 178.46 1h29 h LEU 121 N 0.62 1.10 -0.55 1.55 3.38 -1.24 -2.80 115.31 117.37 1h29 h LEU 121 Ca 0.15 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1h29 h LEU 121 Cb 0.27 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1h29 h LEU 121 CO -0.01 0.98 0.06 0.00 0.09 0.00 0.00 178.44 179.57 1h29 h ALA 122 N 1.17 0.73 -0.61 1.53 0.00 -1.06 0.75 119.26 121.77 1h29 h ALA 122 Ca 0.26 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1h29 h ALA 122 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1h29 h ALA 122 CO -0.02 0.50 0.42 0.87 0.00 0.00 0.00 179.25 181.02 1h29 h LYS 123 N 0.82 0.20 -0.17 0.00 1.57 -1.26 -2.05 116.57 115.68 1h29 h LYS 123 Ca 0.16 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1h29 h LYS 123 Cb 0.45 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1h29 h LYS 123 CO 0.02 0.14 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 1h29 n ALA 124 N -2.58 2.50 -2.03 3.86 0.00 -0.59 -4.92 120.51 116.75 1h29 n ALA 124 Ca 0.11 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.82 1h29 n ALA 124 Cb 0.53 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 1h29 n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h29 n GLY 125 N 1.26 0.17 3.95 0.00 0.00 -0.77 -5.04 105.19 104.75 1h29 n GLY 125 Ca 0.17 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1h29 n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h29 s LYS 126 N -4.19 3.44 0.23 1.61 3.01 0.16 -5.01 119.74 118.99 1h29 s LYS 126 Ca 0.00 -0.61 -0.31 0.00 -1.01 0.00 0.00 55.97 54.04 1h29 s LYS 126 Cb 0.00 -2.96 -0.14 0.00 -1.01 0.00 0.00 37.83 33.72 1h29 s LYS 126 CO 0.00 0.52 1.24 1.17 0.51 0.00 0.00 175.35 178.78 1h29 n LYS 127 N -0.60 1.61 -3.95 1.68 4.81 -1.26 -4.31 118.16 116.13 1h29 n LYS 127 Ca -0.07 0.57 -0.10 0.00 -0.87 0.00 0.00 58.31 57.84 1h29 n LYS 127 Cb 0.54 -2.11 -0.02 0.00 0.02 0.00 0.00 35.03 33.46 1h29 n LYS 127 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1h29 s THR 128 N -0.37 0.00 0.71 3.15 -1.32 -1.26 -4.87 115.64 111.68 1h29 s THR 128 Ca 0.67 -1.30 0.02 0.00 -1.21 0.00 0.00 61.69 59.87 1h29 s THR 128 Cb -0.72 -2.49 0.13 0.00 -1.51 0.00 0.00 72.50 67.91 1h29 s THR 128 CO 0.53 0.00 0.98 -0.83 -2.21 0.00 0.00 174.62 173.09 1h29 s GLY 129 N -3.08 1.74 0.50 6.08 0.00 -1.26 -5.06 107.32 106.23 1h29 s GLY 129 Ca 0.21 -1.93 -0.22 0.00 0.00 0.00 0.00 44.72 42.79 1h29 s GLY 129 CO 0.13 -1.34 1.01 -1.05 0.00 0.00 0.00 173.10 171.85 1h29 n PRO 130 N -2.76 1.23 -3.37 2.90 -0.02 -1.26 -4.83 135.00 126.88 1h29 n PRO 130 Ca 0.16 0.45 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 1h29 n PRO 130 Cb 0.61 -2.12 -0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1h29 n PRO 130 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1h29 s GLN 131 N -2.32 3.27 0.00 -0.52 -1.52 -1.26 -4.81 119.66 112.50 1h29 s GLN 131 Ca 0.68 -0.59 0.00 0.00 -1.95 0.00 0.00 55.36 53.50 1h29 s GLN 131 Cb -0.49 -2.70 0.00 0.00 -0.22 0.00 0.00 33.01 29.60 1h29 s GLN 131 CO 0.53 0.05 0.00 -3.47 -0.25 0.00 0.00 175.29 172.15 1h29 n ASP 132 N -1.78 0.00 -0.15 5.90 2.03 -1.26 -0.23 116.55 121.06 1h29 n ASP 132 Ca -0.03 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.43 1h29 n ASP 132 Cb 0.57 0.00 0.61 0.00 -0.72 0.00 0.00 41.12 41.59 1h29 n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h29 n GLY 133 N 0.00 -0.84 2.57 0.27 0.00 -1.26 -4.46 105.19 101.47 1h29 n GLY 133 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1h29 n GLY 133 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h29 n GLU 134 N -0.84 4.22 0.10 1.61 1.02 0.68 -4.74 120.64 122.69 1h29 n GLU 134 Ca 0.15 -3.34 -0.13 0.00 -0.02 0.00 0.00 57.16 53.83 1h29 n GLU 134 Cb 0.28 -2.74 -0.06 0.00 -0.02 0.00 0.00 31.44 28.90 1h29 n GLU 134 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h29 n ARG 136 N -5.41 0.08 0.14 0.00 0.63 -1.26 -0.66 116.66 110.18 1h29 n ARG 136 Ca -0.06 0.39 0.06 0.00 -0.92 0.00 0.00 57.85 57.33 1h29 n ARG 136 Cb 0.32 -1.67 0.05 0.00 0.45 0.00 0.00 32.46 31.61 1h29 n ARG 136 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1h29 h SER 137 N 0.00 0.00 0.00 6.15 0.02 -1.74 -3.20 113.55 114.77 1h29 h SER 137 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1h29 h SER 137 Cb 0.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 1h29 h SER 137 CO 0.00 0.28 -1.93 0.00 -1.14 0.00 0.00 176.83 174.03 1h29 n HIS 139 N -4.34 3.18 -3.59 0.00 8.25 0.17 -3.79 115.22 115.09 1h29 n HIS 139 Ca -0.43 -2.86 -0.40 0.00 -0.26 0.00 0.00 57.72 53.78 1h29 n HIS 139 Cb 0.77 -2.14 -0.11 0.00 1.12 0.00 0.00 29.99 29.63 1h29 n HIS 139 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1h29 s ASN 140 N 1.62 5.78 0.00 0.41 3.84 -1.21 -4.46 114.94 120.92 1h29 s ASN 140 Ca 0.42 -0.62 0.25 0.00 0.21 0.00 0.00 52.86 53.12 1h29 s ASN 140 Cb 0.11 -2.06 1.41 0.00 -0.55 0.00 0.00 41.25 40.16 1h29 s ASN 140 CO -0.02 -0.27 1.86 -0.81 -2.79 0.00 0.00 177.10 175.07 1h29 n PRO 141 N 5.04 0.61 -3.14 0.43 -0.04 -1.26 -4.01 135.00 132.63 1h29 n PRO 141 Ca -0.13 0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.15 1h29 n PRO 141 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 1h29 n PRO 141 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1h29 n LYS 142 N -1.12 0.54 -2.12 0.54 4.81 -1.26 -5.13 118.16 114.42 1h29 n LYS 142 Ca 0.16 -2.85 -0.35 0.00 -0.87 0.00 0.00 58.31 54.40 1h29 n LYS 142 Cb 0.13 -1.42 0.02 0.00 0.02 0.00 0.00 35.03 33.78 1h29 n LYS 142 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1h29 s PRO 143 N -0.29 3.16 0.20 1.64 0.02 -1.26 -4.92 135.00 133.54 1h29 s PRO 143 Ca 0.33 1.69 -0.06 0.00 0.02 0.00 0.00 61.00 62.98 1h29 s PRO 143 Cb 0.12 -1.97 0.12 0.00 0.02 0.00 0.00 34.50 32.79 1h29 s PRO 143 CO -0.15 -1.03 1.60 1.03 -0.33 0.00 0.00 177.00 178.12 1h29 h SER 144 N 0.99 0.87 -3.59 2.53 0.87 -1.98 -3.41 113.55 109.83 1h29 h SER 144 Ca -0.50 -0.32 -0.51 0.00 -1.23 0.00 0.00 61.79 59.23 1h29 h SER 144 Cb 1.28 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1h29 h SER 144 CO 0.56 1.06 0.36 0.00 -0.53 0.00 0.00 176.83 178.28 1h29 s ALA 145 N -4.63 3.26 0.22 6.23 0.00 -1.26 0.11 121.76 125.68 1h29 s ALA 145 Ca -0.10 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1h29 s ALA 145 Cb 0.13 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1h29 s ALA 145 CO 0.85 -0.01 0.39 0.00 0.00 0.00 0.00 175.76 176.99 1h29 s ALA 146 N -0.13 3.85 -0.08 0.00 0.00 -0.48 -4.92 121.76 120.00 1h29 s ALA 146 Ca 0.46 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 1h29 s ALA 146 Cb -0.24 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 1h29 s ALA 146 CO 0.30 0.37 0.85 0.45 0.00 0.00 0.00 175.76 177.73 1h29 s SER 147 N -3.37 7.11 0.00 0.00 0.15 -1.26 0.77 113.70 117.10 1h29 s SER 147 Ca 0.37 1.35 0.06 0.00 0.70 0.00 0.00 55.95 58.44 1h29 s SER 147 Cb -0.11 -2.48 0.14 0.00 -1.71 0.00 0.00 66.02 61.86 1h29 s SER 147 CO 0.30 -0.27 0.99 -1.54 1.20 0.00 0.00 173.24 173.92 1h29 n SER 148 N 4.36 2.19 -4.61 5.45 3.41 0.29 -4.77 113.62 119.94 1h29 n SER 148 Ca 0.03 -1.74 -0.48 0.00 -0.26 0.00 0.00 58.87 56.43 1h29 n SER 148 Cb 0.50 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 1h29 n SER 148 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1h29 n TRP 149 N 0.20 1.61 -4.14 7.33 -0.00 -1.19 -4.37 117.44 116.88 1h29 n TRP 149 Ca 0.06 0.58 -0.17 0.00 -0.00 0.00 0.00 57.50 57.98 1h29 n TRP 149 Cb 0.29 -2.35 -0.15 0.00 -0.00 0.00 0.00 31.31 29.10 1h29 n TRP 149 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1h29 s LYS 150 N -0.20 0.49 0.71 5.87 2.20 -0.30 -5.03 119.74 123.49 1h29 s LYS 150 Ca 0.74 -0.14 -0.16 0.00 -0.36 0.00 0.00 55.97 56.04 1h29 s LYS 150 Cb -0.80 -0.51 0.03 0.00 -1.51 0.00 0.00 37.83 35.04 1h29 s LYS 150 CO 0.50 0.05 1.24 -1.83 -0.36 0.00 0.00 175.35 174.95 1h29 s GLU 151 N 0.21 2.20 0.09 4.03 -1.05 -1.26 -4.52 118.70 118.40 1h29 s GLU 151 Ca -0.02 1.89 0.07 0.00 -0.15 0.00 0.00 54.97 56.76 1h29 s GLU 151 Cb -0.06 -1.83 -0.03 0.00 -0.44 0.00 0.00 34.13 31.77 1h29 s GLU 151 CO -0.00 -1.82 -0.19 -1.50 0.95 0.00 0.00 175.26 172.70 1h29 s ILE 152 N -1.77 1.54 0.33 1.83 2.07 -1.26 -5.00 121.20 118.94 1h29 s ILE 152 Ca 0.77 -1.44 -0.06 0.00 -1.41 0.00 0.00 60.65 58.51 1h29 s ILE 152 Cb -0.32 -1.41 0.02 0.00 0.13 0.00 0.00 42.46 40.88 1h29 s ILE 152 CO 0.44 -0.08 0.54 0.61 -1.91 0.00 0.00 174.94 174.54 1h29 n GLY 153 N 1.21 1.79 3.45 1.50 0.00 -1.26 -5.12 105.19 106.76 1h29 n GLY 153 Ca -0.20 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1h29 n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h29 s PHE 154 N -3.01 3.24 1.00 1.61 0.40 -1.26 -4.99 117.98 114.96 1h29 s PHE 154 Ca 0.22 -0.63 -0.18 0.00 -0.60 0.00 0.00 56.93 55.74 1h29 s PHE 154 Cb -0.02 -2.56 -0.10 0.00 0.51 0.00 0.00 43.02 40.85 1h29 s PHE 154 CO 0.16 -0.58 -0.63 -3.47 0.70 0.00 0.00 175.22 171.40 1h29 n ASP 155 N 5.13 -4.32 -0.27 1.36 -0.08 -1.26 -4.83 116.55 112.27 1h29 n ASP 155 Ca -0.11 0.15 0.02 0.00 -1.51 0.00 0.00 54.79 53.34 1h29 n ASP 155 Cb 0.47 -0.82 0.15 0.00 2.34 0.00 0.00 41.12 43.26 1h29 n ASP 155 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1h29 h LYS 156 N -1.21 0.69 0.41 -0.67 3.64 -1.88 -2.65 116.57 114.90 1h29 h LYS 156 Ca -0.44 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1h29 h LYS 156 Cb 1.32 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1h29 h LYS 156 CO 0.26 0.46 -0.20 1.03 -2.27 0.00 0.00 179.45 178.73 1h29 h SER 157 N 0.71 -0.46 -0.58 4.20 0.87 -1.89 -2.48 113.55 113.92 1h29 h SER 157 Ca 0.37 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1h29 h SER 157 Cb 0.36 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1h29 h SER 157 CO -0.25 -0.25 0.31 0.25 -0.53 0.00 0.00 176.83 176.36 1h29 h LEU 158 N -0.65 0.73 -0.17 2.23 5.85 -1.88 -0.70 115.31 120.72 1h29 h LEU 158 Ca -0.06 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.62 1h29 h LEU 158 Cb 0.48 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1h29 h LEU 158 CO 0.09 0.62 -0.22 -0.74 -0.34 0.00 0.00 178.44 177.85 1h29 h HIS 159 N 0.79 -0.59 -0.04 1.25 2.76 -1.50 -1.77 115.15 116.05 1h29 h HIS 159 Ca 0.20 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1h29 h HIS 159 Cb 0.06 0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.30 1h29 h HIS 159 CO -0.01 -0.30 -0.02 -0.92 -1.30 0.00 0.00 177.93 175.38 1h29 h TYR 160 N -0.27 0.05 -0.69 5.26 3.20 -1.16 -1.08 116.97 122.28 1h29 h TYR 160 Ca 0.11 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 1h29 h TYR 160 Cb 0.43 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1h29 h TYR 160 CO -0.35 0.07 0.13 -0.09 -1.64 0.00 0.00 178.16 176.28 1h29 h ARG 161 N 0.05 1.13 0.05 1.82 9.65 -0.29 -1.12 114.38 125.67 1h29 h ARG 161 Ca 0.01 -0.29 -0.00 0.00 -1.10 0.00 0.00 59.98 58.60 1h29 h ARG 161 Cb 0.06 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 1h29 h ARG 161 CO 0.00 1.02 -0.02 0.45 2.80 0.00 0.00 179.97 184.21 1h29 h HIS 162 N 1.06 -0.06 -0.78 2.20 3.86 -0.90 -2.93 115.15 117.59 1h29 h HIS 162 Ca 0.21 -0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.64 1h29 h HIS 162 Cb 0.42 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1h29 h HIS 162 CO 0.03 0.36 0.56 0.28 0.86 0.00 0.00 177.93 180.02 1h29 h VAL 163 N -0.51 0.62 -0.18 2.45 2.07 -1.06 -1.88 116.25 117.76 1h29 h VAL 163 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1h29 h VAL 163 Cb 0.45 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1h29 h VAL 163 CO 0.01 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1h29 n ALA 164 N -2.68 2.42 -2.32 1.67 0.00 -0.44 -4.84 120.51 114.34 1h29 n ALA 164 Ca 0.16 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 1h29 n ALA 164 Cb 0.83 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 1h29 n ALA 164 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1h29 s SER 165 N -1.46 6.90 0.51 0.00 0.15 -0.71 -4.91 113.70 114.18 1h29 s SER 165 Ca 0.28 1.91 0.16 0.00 0.70 0.00 0.00 55.95 59.00 1h29 s SER 165 Cb 0.18 -2.55 1.23 0.00 -1.71 0.00 0.00 66.02 63.17 1h29 s SER 165 CO 0.25 -0.74 2.12 0.11 1.20 0.00 0.00 173.24 176.18 1h29 h LYS 166 N 8.15 0.00 0.00 5.44 1.57 -1.91 -2.28 116.57 127.53 1h29 h LYS 166 Ca -0.33 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1h29 h LYS 166 Cb 1.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1h29 h LYS 166 CO 0.93 0.04 -0.09 0.00 -0.57 0.00 0.00 179.45 179.77 1h29 h ALA 167 N 1.96 1.45 -2.35 3.86 0.00 -1.91 -3.37 119.26 118.89 1h29 h ALA 167 Ca -0.00 -0.08 -0.75 0.00 0.00 0.00 0.00 54.91 54.08 1h29 h ALA 167 Cb 0.08 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 17.60 1h29 h ALA 167 CO 0.01 0.11 -0.23 0.42 0.00 0.00 0.00 179.25 179.56 1h29 s ILE 168 N -4.43 4.97 0.41 0.00 1.01 -0.86 -5.03 121.20 117.26 1h29 s ILE 168 Ca -0.04 -1.74 -0.23 0.00 0.00 0.00 0.00 60.65 58.64 1h29 s ILE 168 Cb 0.14 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 1h29 s ILE 168 CO 0.59 -0.87 1.01 -0.54 0.00 0.00 0.00 174.94 175.14 1h29 s LYS 169 N 1.31 4.17 0.57 2.79 1.02 -1.26 -4.84 119.74 123.49 1h29 s LYS 169 Ca 0.06 1.38 -0.18 0.00 0.02 0.00 0.00 55.97 57.25 1h29 s LYS 169 Cb -0.26 -2.42 -0.10 0.00 -0.52 0.00 0.00 37.83 34.53 1h29 s LYS 169 CO 0.00 -0.12 0.33 -2.30 -0.92 0.00 0.00 175.35 172.35 1h29 n PRO 170 N -0.27 0.35 -3.72 -1.68 -0.02 -1.26 -4.77 135.00 123.64 1h29 n PRO 170 Ca 0.06 0.14 -0.20 0.00 -2.02 0.00 0.00 63.50 61.48 1h29 n PRO 170 Cb 0.51 -1.51 -0.18 0.00 -0.02 0.00 0.00 33.50 32.30 1h29 n PRO 170 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1h29 s VAL 171 N -1.81 0.00 0.00 -1.45 1.01 -1.00 -4.85 120.40 112.29 1h29 s VAL 171 Ca 0.65 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1h29 s VAL 171 Cb -0.45 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1h29 s VAL 171 CO 0.58 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1h29 n GLY 172 N 5.07 0.12 3.07 4.51 0.00 -1.26 -4.47 105.19 112.23 1h29 n GLY 172 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1h29 n GLY 172 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h29 s ASP 173 N -2.05 0.35 0.54 1.61 2.15 -1.26 -5.04 116.67 112.97 1h29 s ASP 173 Ca 0.00 -0.76 0.33 0.00 0.43 0.00 0.00 52.55 52.55 1h29 s ASP 173 Cb 0.00 0.18 1.40 0.00 -0.30 0.00 0.00 42.92 44.20 1h29 s ASP 173 CO 0.00 -0.51 2.00 -0.65 -0.17 0.00 0.00 175.17 175.84 1h29 h PRO 174 N 3.63 0.00 0.00 4.34 0.11 -1.97 -3.42 132.00 134.69 1h29 h PRO 174 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1h29 h PRO 174 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1h29 h PRO 174 CO 0.56 0.05 -0.29 1.04 -0.21 0.00 0.00 178.00 179.15 1h29 n GLN 175 N -3.19 0.00 -2.21 1.05 1.13 -1.26 -4.93 117.38 107.97 1h29 n GLN 175 Ca -0.00 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.67 1h29 n GLN 175 Cb 0.30 -0.59 -0.01 0.00 0.11 0.00 0.00 30.24 30.04 1h29 n GLN 175 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1h29 s LYS 176 N -1.37 4.03 -0.09 -1.09 1.02 -1.26 -4.64 119.74 116.34 1h29 s LYS 176 Ca 0.00 1.96 0.14 0.00 0.02 0.00 0.00 55.97 58.08 1h29 s LYS 176 Cb 0.00 -2.72 0.21 0.00 -0.52 0.00 0.00 37.83 34.80 1h29 s LYS 176 CO 0.00 -0.37 1.10 0.27 -0.92 0.00 0.00 175.35 175.43 1h29 n ASN 177 N 0.12 2.15 -0.29 2.83 0.23 -1.26 -2.39 115.26 116.65 1h29 n ASN 177 Ca 0.04 -2.77 0.10 0.00 -0.53 0.00 0.00 54.58 51.42 1h29 n ASN 177 Cb 0.45 -0.31 0.26 0.00 -2.08 0.00 0.00 39.78 38.09 1h29 n ASN 177 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1h29 n GLY 179 N -1.33 -0.47 0.00 0.00 0.00 -1.26 -1.39 105.19 100.73 1h29 n GLY 179 Ca 0.19 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1h29 n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h29 n ALA 180 N -1.33 2.36 0.00 4.61 0.00 -0.67 -4.36 120.51 121.12 1h29 n ALA 180 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1h29 n ALA 180 Cb 0.04 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1h29 n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h29 s HIS 182 N -1.05 3.74 0.10 0.00 3.76 -0.49 -5.07 115.29 116.28 1h29 s HIS 182 Ca 0.00 1.06 -0.12 0.00 -0.15 0.00 0.00 55.06 55.85 1h29 s HIS 182 Cb 0.00 -2.35 0.01 0.00 1.11 0.00 0.00 32.58 31.35 1h29 s HIS 182 CO 0.00 0.61 0.28 -3.38 -0.85 0.00 0.00 174.74 171.40 1h29 s HIS 183 N -1.00 -0.01 0.16 1.40 -3.43 -1.26 -4.37 115.29 106.78 1h29 s HIS 183 Ca 0.25 -0.34 0.05 0.00 -0.80 0.00 0.00 55.06 54.21 1h29 s HIS 183 Cb -0.17 0.08 -0.05 0.00 -1.43 0.00 0.00 32.58 31.01 1h29 s HIS 183 CO 0.15 -0.60 -0.10 0.08 -2.00 0.00 0.00 174.74 172.27 1h29 s VAL 184 N -3.71 1.22 0.06 -5.38 1.01 0.15 -4.77 120.40 108.97 1h29 s VAL 184 Ca 0.03 -2.08 -0.31 0.00 0.00 0.00 0.00 61.98 59.63 1h29 s VAL 184 Cb 0.03 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 1h29 s VAL 184 CO -0.11 -0.68 1.25 -0.72 0.00 0.00 0.00 175.10 174.84 1h29 s TYR 185 N -3.29 3.35 -0.60 5.22 -0.85 -1.26 -0.26 117.35 119.65 1h29 s TYR 185 Ca 0.19 1.20 -0.09 0.00 -0.52 0.00 0.00 57.07 57.85 1h29 s TYR 185 Cb 0.02 -3.49 0.16 0.00 0.38 0.00 0.00 41.96 39.04 1h29 s TYR 185 CO 0.02 -1.56 0.48 0.34 -1.52 0.00 0.00 175.55 173.30 1h29 s ASP 186 N 1.14 5.82 0.17 -0.18 2.15 0.35 -4.91 116.67 121.21 1h29 s ASP 186 Ca 0.60 -2.38 0.11 0.00 0.43 0.00 0.00 52.55 51.31 1h29 s ASP 186 Cb -0.31 -2.01 0.59 0.00 -0.30 0.00 0.00 42.92 40.89 1h29 s ASP 186 CO 0.29 -0.57 1.33 -0.62 -0.17 0.00 0.00 175.17 175.42 1h29 n GLU 187 N 4.27 0.07 0.04 4.34 4.71 -1.26 -0.38 120.64 132.43 1h29 n GLU 187 Ca 0.02 0.56 -0.22 0.00 -0.01 0.00 0.00 57.16 57.51 1h29 n GLU 187 Cb 0.41 -1.75 -0.14 0.00 -1.01 0.00 0.00 31.44 28.95 1h29 n GLU 187 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1h29 h ALA 188 N 1.96 0.18 -0.00 0.62 0.00 -1.93 -3.26 119.26 116.82 1h29 h ALA 188 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1h29 h ALA 188 Cb 0.03 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1h29 h ALA 188 CO 0.00 0.95 -0.40 -1.13 0.00 0.00 0.00 179.25 178.66 1h29 n SER 189 N -3.74 0.83 -2.27 0.00 3.41 -1.06 -4.99 113.62 105.80 1h29 n SER 189 Ca -0.25 -0.64 -0.15 0.00 -0.26 0.00 0.00 58.87 57.56 1h29 n SER 189 Cb 0.99 0.24 0.04 0.00 -0.26 0.00 0.00 64.21 65.22 1h29 n SER 189 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1h29 n LYS 190 N -1.03 -4.05 -3.98 4.33 5.02 0.49 -5.03 118.16 113.91 1h29 n LYS 190 Ca 0.09 0.59 -0.11 0.00 -2.02 0.00 0.00 58.31 56.86 1h29 n LYS 190 Cb 0.35 -4.81 -0.03 0.00 -0.02 0.00 0.00 35.03 30.52 1h29 n LYS 190 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1h29 s LYS 191 N -5.52 1.85 0.41 1.97 -2.85 -0.91 -4.91 119.74 109.79 1h29 s LYS 191 Ca 0.27 -1.45 -0.25 0.00 -1.00 0.00 0.00 55.97 53.54 1h29 s LYS 191 Cb -0.12 0.51 -0.08 0.00 -2.06 0.00 0.00 37.83 36.07 1h29 s LYS 191 CO 0.34 -0.80 1.20 -0.51 0.10 0.00 0.00 175.35 175.68 1h29 s LEU 192 N -3.10 4.17 0.03 2.77 1.43 -1.26 0.13 118.68 122.85 1h29 s LEU 192 Ca 0.23 2.42 -0.23 0.00 -1.03 0.00 0.00 54.13 55.51 1h29 s LEU 192 Cb -0.02 -4.03 0.05 0.00 0.03 0.00 0.00 46.19 42.23 1h29 s LEU 192 CO 0.13 -0.77 0.54 0.54 0.23 0.00 0.00 176.35 177.02 1h29 s VAL 193 N -1.39 0.03 -0.10 -1.59 0.11 0.64 -4.81 120.40 113.28 1h29 s VAL 193 Ca 0.58 -0.21 -0.30 0.00 -2.93 0.00 0.00 61.98 59.13 1h29 s VAL 193 Cb -0.32 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 1h29 s VAL 193 CO 0.41 -0.11 1.47 0.86 -3.33 0.00 0.00 175.10 174.39 1h29 s TRP 194 N -2.23 2.40 -0.57 1.54 -0.00 -1.26 0.29 118.94 119.12 1h29 s TRP 194 Ca -0.06 0.58 -0.17 0.00 -0.00 0.00 0.00 56.10 56.44 1h29 s TRP 194 Cb -0.01 -3.72 0.12 0.00 -0.00 0.00 0.00 33.47 29.85 1h29 s TRP 194 CO 0.00 -2.85 0.60 0.20 -0.00 0.00 0.00 176.95 174.91 1h29 s GLY 195 N 2.66 1.93 0.10 5.86 0.00 -1.26 -4.87 107.32 111.74 1h29 s GLY 195 Ca 0.65 -2.38 -0.35 0.00 0.00 0.00 0.00 44.72 42.64 1h29 s GLY 195 CO 0.23 1.39 1.56 1.17 0.00 0.00 0.00 173.10 177.45 1h29 n LYS 196 N 5.80 1.87 -1.70 2.90 4.81 -1.26 -1.14 118.16 129.44 1h29 n LYS 196 Ca -0.12 0.68 -0.17 0.00 -0.87 0.00 0.00 58.31 57.83 1h29 n LYS 196 Cb 0.41 -2.42 -0.05 0.00 0.02 0.00 0.00 35.03 32.99 1h29 n LYS 196 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1h29 n ASN 197 N 3.61 -4.99 0.00 3.14 5.03 -1.26 -4.83 115.26 115.95 1h29 n ASN 197 Ca 0.18 0.30 0.00 0.00 0.87 0.00 0.00 54.58 55.93 1h29 n ASN 197 Cb 0.26 -4.00 0.00 0.00 -1.02 0.00 0.00 39.78 35.02 1h29 n ASN 197 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1h29 n LYS 198 N -2.54 2.27 -2.11 3.52 5.02 -0.29 -4.94 118.16 119.09 1h29 n LYS 198 Ca -0.18 -1.31 -0.39 0.00 -2.02 0.00 0.00 58.31 54.42 1h29 n LYS 198 Cb 0.57 -0.99 -0.01 0.00 -0.02 0.00 0.00 35.03 34.59 1h29 n LYS 198 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1h29 s GLU 199 N -0.81 3.99 0.25 1.97 8.01 -1.25 -4.97 118.70 125.89 1h29 s GLU 199 Ca 0.00 2.09 -0.19 0.00 0.01 0.00 0.00 54.97 56.87 1h29 s GLU 199 Cb 0.00 -2.75 0.02 0.00 -4.31 0.00 0.00 34.13 27.10 1h29 s GLU 199 CO 0.00 -0.45 0.65 0.34 0.01 0.00 0.00 175.26 175.81 1h29 s ASP 200 N -0.82 -0.26 0.35 -0.19 -1.08 -1.26 -4.99 116.67 108.42 1h29 s ASP 200 Ca 0.57 -0.59 -0.28 0.00 -0.52 0.00 0.00 52.55 51.72 1h29 s ASP 200 Cb -0.36 0.68 -0.11 0.00 -1.46 0.00 0.00 42.92 41.66 1h29 s ASP 200 CO 0.47 -1.25 1.47 -0.24 0.52 0.00 0.00 175.17 176.14 1h29 n SER 201 N -0.43 3.57 -0.30 -0.34 2.88 -1.26 -4.86 113.62 112.88 1h29 n SER 201 Ca -0.05 1.21 0.27 0.00 -1.33 0.00 0.00 58.87 58.96 1h29 n SER 201 Cb 0.60 -1.58 0.61 0.00 -0.75 0.00 0.00 64.21 63.09 1h29 n SER 201 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h29 h ARG 203 N 0.23 0.00 -0.08 0.00 3.08 -1.90 0.25 114.38 115.96 1h29 h ARG 203 Ca 0.56 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.55 1h29 h ARG 203 Cb 1.75 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.79 1h29 h ARG 203 CO -0.17 0.00 -0.22 0.00 -1.07 0.00 0.00 179.97 178.50 1h29 h ALA 204 N 1.90 1.48 0.00 0.04 0.00 -1.02 -3.35 119.26 118.30 1h29 h ALA 204 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1h29 h ALA 204 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1h29 h ALA 204 CO -0.00 0.38 -0.52 0.00 0.00 0.00 0.00 179.25 179.11 1h29 s HIS 206 N -1.46 2.92 0.00 0.00 3.76 0.80 -4.94 115.29 116.37 1h29 s HIS 206 Ca 0.00 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 53.72 1h29 s HIS 206 Cb 0.00 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1h29 s HIS 206 CO 0.00 -0.64 0.00 0.41 -0.85 0.00 0.00 174.74 173.66 1h29 n GLY 207 N 4.74 4.99 0.27 -2.22 0.00 -1.26 -4.01 105.19 107.69 1h29 n GLY 207 Ca -0.19 -2.04 -0.05 0.00 0.00 0.00 0.00 46.02 43.74 1h29 n GLY 207 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h29 h GLU 208 N 0.00 0.90 -6.52 1.61 5.08 -1.96 0.17 114.58 113.86 1h29 h GLU 208 Ca 0.00 -0.05 -0.64 0.00 -1.00 0.00 0.00 59.36 57.67 1h29 h GLU 208 Cb 0.00 -0.20 -0.18 0.00 0.50 0.00 0.00 28.75 28.86 1h29 h GLU 208 CO 0.00 0.59 -0.82 0.15 -1.00 0.00 0.00 179.01 177.94 1h29 s LYS 209 N -6.14 1.50 0.42 2.33 3.01 -1.26 -4.76 119.74 114.84 1h29 s LYS 209 Ca -0.13 -1.53 -0.26 0.00 -1.01 0.00 0.00 55.97 53.05 1h29 s LYS 209 Cb 0.14 -1.79 -0.09 0.00 -1.01 0.00 0.00 37.83 35.09 1h29 s LYS 209 CO 0.77 0.38 1.32 -1.25 0.51 0.00 0.00 175.35 177.08 1h29 s PRO 210 N -2.72 3.91 -0.19 -1.68 0.04 -1.26 -4.30 135.00 128.80 1h29 s PRO 210 Ca 0.21 2.18 -0.00 0.00 0.04 0.00 0.00 61.00 63.42 1h29 s PRO 210 Cb -0.08 -2.72 0.05 0.00 0.04 0.00 0.00 34.50 31.79 1h29 s PRO 210 CO 0.10 -0.55 -0.05 0.08 0.04 0.00 0.00 177.00 176.61 1h29 s VAL 211 N -1.26 1.22 -0.03 -0.36 1.01 -0.64 -4.90 120.40 115.42 1h29 s VAL 211 Ca 0.58 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1h29 s VAL 211 Cb -0.39 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1h29 s VAL 211 CO 0.49 0.06 0.05 0.47 0.00 0.00 0.00 175.10 176.17 1h29 n ASP 212 N 4.82 -1.49 0.00 3.32 10.43 -1.26 -2.22 116.55 130.16 1h29 n ASP 212 Ca -0.12 0.05 0.00 0.00 2.57 0.00 0.00 54.79 57.29 1h29 n ASP 212 Cb 0.47 -0.38 0.00 0.00 1.84 0.00 0.00 41.12 43.05 1h29 n ASP 212 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1h29 n LYS 213 N 0.45 0.00 -3.00 -1.24 5.02 -1.26 -4.97 118.16 113.16 1h29 n LYS 213 Ca -0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1h29 n LYS 213 Cb 0.13 -0.05 -0.06 0.00 -0.02 0.00 0.00 35.03 35.04 1h29 n LYS 213 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1h29 s ARG 214 N -0.01 3.83 1.07 1.97 0.52 -0.94 -5.06 118.95 120.33 1h29 s ARG 214 Ca 0.00 0.35 -0.12 0.00 -0.52 0.00 0.00 55.73 55.44 1h29 s ARG 214 Cb 0.00 -3.77 0.23 0.00 0.52 0.00 0.00 34.95 31.93 1h29 s ARG 214 CO 0.00 -0.73 1.06 -2.14 0.02 0.00 0.00 175.30 173.51 1h29 s PRO 215 N 2.91 -0.17 0.72 3.54 0.02 -1.26 -1.62 135.00 139.14 1h29 s PRO 215 Ca 0.30 0.82 -0.15 0.00 0.02 0.00 0.00 61.00 61.99 1h29 s PRO 215 Cb -0.14 -1.64 0.03 0.00 0.02 0.00 0.00 34.50 32.77 1h29 s PRO 215 CO 0.14 -3.22 1.19 0.00 -0.33 0.00 0.00 177.00 174.79 1h29 s ALA 216 N -2.66 2.18 0.32 -1.55 0.00 -1.26 -4.33 121.76 114.46 1h29 s ALA 216 Ca 0.67 0.83 0.09 0.00 0.00 0.00 0.00 51.96 53.55 1h29 s ALA 216 Cb -0.22 -3.45 0.95 0.00 0.00 0.00 0.00 23.12 20.40 1h29 s ALA 216 CO 0.61 -1.77 1.61 1.25 0.00 0.00 0.00 175.76 177.47 1h29 h LEU 217 N -0.22 0.05 0.17 0.00 5.85 -0.79 0.90 115.31 121.28 1h29 h LEU 217 Ca -0.48 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1h29 h LEU 217 Cb 1.29 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1h29 h LEU 217 CO 0.50 -0.28 -0.08 -2.24 -0.34 0.00 0.00 178.44 176.00 1h29 h ASP 218 N 0.12 -0.20 -0.77 1.25 2.03 -1.91 -0.63 116.42 116.31 1h29 h ASP 218 Ca 0.67 -0.33 0.18 0.00 -0.73 0.00 0.00 57.03 56.82 1h29 h ASP 218 Cb 1.53 0.05 -0.13 0.00 -0.83 0.00 0.00 39.33 39.95 1h29 h ASP 218 CO -0.75 0.35 0.01 0.74 -1.03 0.00 0.00 179.24 178.56 1h29 h THR 219 N -0.89 0.32 0.31 1.15 2.02 -1.91 0.24 112.91 114.15 1h29 h THR 219 Ca -0.02 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1h29 h THR 219 Cb 0.51 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1h29 h THR 219 CO 0.04 0.02 -0.15 0.00 0.37 0.00 0.00 175.52 175.80 1h29 h ALA 220 N 1.72 -0.41 -0.38 6.16 0.00 -0.65 0.87 119.26 126.57 1h29 h ALA 220 Ca 0.42 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1h29 h ALA 220 Cb 0.75 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1h29 h ALA 220 CO -0.68 -0.71 0.11 0.00 0.00 0.00 0.00 179.25 177.97 1h29 h ALA 221 N 0.23 0.50 -0.06 0.00 0.00 -0.94 -1.20 119.26 117.79 1h29 h ALA 221 Ca -0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1h29 h ALA 221 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1h29 h ALA 221 CO 0.07 0.15 -0.24 0.45 0.00 0.00 0.00 179.25 179.69 1h29 h HIS 222 N 0.47 0.11 0.01 0.00 3.86 -0.36 0.25 115.15 119.49 1h29 h HIS 222 Ca 0.12 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1h29 h HIS 222 Cb 0.27 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1h29 h HIS 222 CO 0.01 0.34 -0.01 1.15 0.86 0.00 0.00 177.93 180.28 1h29 h THR 223 N 0.10 1.48 0.20 2.45 2.02 -0.62 -3.31 112.91 115.24 1h29 h THR 223 Ca 0.02 -1.58 -0.33 0.00 0.77 0.00 0.00 66.41 65.29 1h29 h THR 223 Cb 0.48 2.54 0.02 0.00 -1.74 0.00 0.00 68.15 69.44 1h29 h THR 223 CO 0.03 0.40 -1.56 0.00 0.37 0.00 0.00 175.52 174.77 1h29 h ALA 224 N 0.25 0.03 0.08 6.16 0.00 -1.00 -3.17 119.26 121.61 1h29 h ALA 224 Ca -0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 54.91 53.89 1h29 h ALA 224 Cb 0.67 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1h29 h ALA 224 CO 0.00 0.84 -0.04 0.00 0.00 0.00 0.00 179.25 180.06 1h29 h ILE 226 N -0.58 1.31 -0.72 0.00 2.04 -1.67 -0.48 117.51 117.41 1h29 h ILE 226 Ca -0.01 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 1h29 h ILE 226 Cb 0.48 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1h29 h ILE 226 CO 0.02 0.51 0.40 0.77 0.00 0.00 0.00 178.15 179.86 1h29 h SER 227 N 0.39 0.88 -0.24 1.72 4.64 -1.66 0.91 113.55 120.19 1h29 h SER 227 Ca 0.01 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 1h29 h SER 227 Cb 1.02 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1h29 h SER 227 CO 0.09 0.70 -0.09 0.00 -0.87 0.00 0.00 176.83 176.66 1h29 h HIS 229 N 0.20 0.28 0.05 0.00 -0.00 -0.07 -1.06 115.15 114.55 1h29 h HIS 229 Ca 0.06 0.01 -0.25 0.00 -0.00 0.00 0.00 60.37 60.19 1h29 h HIS 229 Cb 0.58 -0.09 0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1h29 h HIS 229 CO 0.06 0.14 -1.05 0.52 -0.00 0.00 0.00 177.93 177.60 1h29 h MET 230 N 0.27 0.39 -0.42 2.45 2.86 -0.73 -2.48 114.93 117.27 1h29 h MET 230 Ca 0.22 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1h29 h MET 230 Cb 0.51 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1h29 h MET 230 CO -0.05 1.16 0.24 -0.44 1.06 0.00 0.00 176.91 178.89 1h29 h ASP 231 N 0.19 0.51 -0.34 1.22 3.32 -0.56 -3.06 116.42 117.69 1h29 h ASP 231 Ca -0.10 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 56.74 1h29 h ASP 231 Cb 1.71 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 41.13 1h29 h ASP 231 CO 0.18 0.43 -0.31 0.58 -1.72 0.00 0.00 179.24 178.39 1h29 h VAL 232 N 0.55 1.29 -0.91 -1.35 2.07 -1.41 -2.48 116.25 114.00 1h29 h VAL 232 Ca 0.15 -1.48 0.24 0.00 0.82 0.00 0.00 66.70 66.43 1h29 h VAL 232 Cb 0.02 1.46 -0.13 0.00 -1.52 0.00 0.00 31.29 31.11 1h29 h VAL 232 CO -0.03 0.49 0.39 0.00 0.02 0.00 0.00 177.57 178.44 1h29 h ALA 233 N 0.75 1.49 -0.79 1.67 0.00 -1.38 0.30 119.26 121.29 1h29 h ALA 233 Ca 0.06 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1h29 h ALA 233 Cb 0.89 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1h29 h ALA 233 CO 0.08 -0.40 0.52 0.87 0.00 0.00 0.00 179.25 180.32 1h29 h LYS 234 N 0.36 0.84 0.00 0.00 1.57 -1.35 0.99 116.57 118.98 1h29 h LYS 234 Ca 0.59 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1h29 h LYS 234 Cb 1.16 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1h29 h LYS 234 CO -0.56 0.56 0.00 0.25 -0.57 0.00 0.00 179.45 179.12 1h29 n THR 235 N -4.48 0.53 -0.77 -0.16 -2.24 0.08 -4.88 114.28 102.36 1h29 n THR 235 Ca 0.12 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1h29 n THR 235 Cb 0.21 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1h29 n THR 235 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1h29 n LYS 236 N -1.42 -0.58 -1.10 -0.78 5.02 0.34 -5.00 118.16 114.65 1h29 n LYS 236 Ca 0.07 0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 56.21 1h29 n LYS 236 Cb 0.21 -4.19 0.17 0.00 -0.02 0.00 0.00 35.03 31.20 1h29 n LYS 236 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h29 s ALA 237 N -1.56 1.09 0.33 7.82 0.00 -1.25 -4.98 121.76 123.21 1h29 s ALA 237 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.52 1h29 s ALA 237 Cb 0.00 -3.18 -0.11 0.00 0.00 0.00 0.00 23.12 19.83 1h29 s ALA 237 CO 0.00 -2.72 1.44 -1.21 0.00 0.00 0.00 175.76 173.27 1h29 s GLU 238 N -4.88 4.21 0.19 0.00 0.41 -1.26 -4.53 118.70 112.85 1h29 s GLU 238 Ca 0.65 2.42 0.04 0.00 -0.41 0.00 0.00 54.97 57.67 1h29 s GLU 238 Cb -0.19 -3.03 -0.02 0.00 -1.78 0.00 0.00 34.13 29.11 1h29 s GLU 238 CO 0.58 -0.42 0.16 -2.37 -0.49 0.00 0.00 175.26 172.72 1h29 n THR 239 N 1.07 0.00 -2.98 3.63 5.66 -1.26 -4.89 114.28 115.51 1h29 n THR 239 Ca 0.02 -1.40 -0.19 0.00 -3.05 0.00 0.00 64.05 59.43 1h29 n THR 239 Cb 0.40 0.69 0.05 0.00 -1.55 0.00 0.00 70.33 69.92 1h29 n THR 239 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1h29 s GLY 240 N -2.35 1.79 0.51 1.09 0.00 -1.26 -5.08 107.32 102.03 1h29 s GLY 240 Ca 0.22 -1.96 -0.19 0.00 0.00 0.00 0.00 44.72 42.79 1h29 s GLY 240 CO 0.16 -1.57 1.03 -4.14 0.00 0.00 0.00 173.10 168.58 1h29 s PRO 241 N -4.62 3.71 -0.06 2.90 0.02 -1.26 -4.83 135.00 130.85 1h29 s PRO 241 Ca 0.60 1.28 0.01 0.00 0.02 0.00 0.00 61.00 62.91 1h29 s PRO 241 Cb -0.07 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 1h29 s PRO 241 CO 0.38 -0.50 -0.03 0.28 -0.33 0.00 0.00 177.00 176.80 1h29 n VAL 242 N -1.27 0.34 -1.72 3.83 0.31 -1.26 -4.82 118.33 113.74 1h29 n VAL 242 Ca 0.09 -0.15 -0.39 0.00 -0.01 0.00 0.00 64.34 63.88 1h29 n VAL 242 Cb 0.53 -0.76 0.04 0.00 -0.91 0.00 0.00 33.84 32.74 1h29 n VAL 242 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1h29 n ASN 243 N -2.54 2.41 -0.19 4.52 3.02 -1.26 -4.93 115.26 116.29 1h29 n ASN 243 Ca -0.10 0.96 -0.04 0.00 -0.03 0.00 0.00 54.58 55.37 1h29 n ASN 243 Cb 0.63 -1.55 0.06 0.00 -0.61 0.00 0.00 39.78 38.31 1h29 n ASN 243 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h29 h ALA 245 N 1.28 1.64 -0.23 0.00 0.00 -1.92 0.41 119.26 120.44 1h29 h ALA 245 Ca 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1h29 h ALA 245 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1h29 h ALA 245 CO -0.14 0.34 0.15 0.78 0.00 0.00 0.00 179.25 180.37 1h29 h GLY 246 N 0.69 0.29 0.21 0.00 0.00 -1.71 0.13 103.07 102.67 1h29 h GLY 246 Ca 0.18 -0.11 -0.37 0.00 0.00 0.00 0.00 47.33 47.04 1h29 h GLY 246 CO -0.04 0.10 -2.28 0.00 0.00 0.00 0.00 176.54 174.32 1h29 n HIS 248 N -3.06 0.00 -3.12 0.00 8.25 0.12 -4.74 115.22 112.66 1h29 n HIS 248 Ca -0.35 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.72 1h29 n HIS 248 Cb 1.07 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.13 1h29 n HIS 248 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h29 s ALA 249 N -1.69 3.38 0.30 -1.41 0.00 0.38 -1.15 121.76 121.57 1h29 s ALA 249 Ca 0.15 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.21 1h29 s ALA 249 Cb 0.13 -2.86 0.81 0.00 0.00 0.00 0.00 23.12 21.20 1h29 s ALA 249 CO 0.33 -0.05 1.65 -1.35 0.00 0.00 0.00 175.76 176.35 1h29 h PRO 250 N 6.61 0.25 -0.61 0.00 0.11 -1.88 -1.21 132.00 135.26 1h29 h PRO 250 Ca -0.41 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 1h29 h PRO 250 Cb 1.19 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1h29 h PRO 250 CO 0.75 0.16 0.13 0.93 -0.21 0.00 0.00 178.00 179.76 1h29 h GLU 251 N 0.25 0.95 0.06 1.05 3.07 -1.93 -2.08 114.58 115.95 1h29 h GLU 251 Ca 0.60 -0.22 -0.24 0.00 -0.50 0.00 0.00 59.36 59.01 1h29 h GLU 251 Cb 1.26 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 1h29 h GLU 251 CO -0.64 0.86 -1.10 0.00 -1.40 0.00 0.00 179.01 176.73 1h29 h ALA 252 N 1.23 0.25 -0.65 3.43 0.00 -1.61 -3.19 119.26 118.72 1h29 h ALA 252 Ca 0.19 -0.88 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 1h29 h ALA 252 Cb 0.35 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1h29 h ALA 252 CO 0.00 1.09 0.11 1.96 0.00 0.00 0.00 179.25 182.42 1h29 h GLN 253 N 0.04 1.06 -0.05 0.00 4.20 -1.11 -2.51 115.11 116.74 1h29 h GLN 253 Ca -0.07 -0.28 0.02 0.00 0.06 0.00 0.00 58.65 58.38 1h29 h GLN 253 Cb 1.84 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.49 1h29 h GLN 253 CO 0.16 0.98 0.13 0.00 -0.67 0.00 0.00 178.83 179.43 1h29 h ALA 254 N 1.04 1.38 0.00 3.87 0.00 -1.37 -3.01 119.26 121.17 1h29 h ALA 254 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1h29 h ALA 254 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1h29 h ALA 254 CO 0.01 -0.15 -0.98 1.63 0.00 0.00 0.00 179.25 179.76 1h29 n LYS 255 N -3.37 0.20 -1.65 0.00 5.02 -0.95 -4.94 118.16 112.47 1h29 n LYS 255 Ca -0.01 -0.01 -0.46 0.00 -2.02 0.00 0.00 58.31 55.80 1h29 n LYS 255 Cb 0.21 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 1h29 n LYS 255 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1h29 n PHE 256 N -1.80 2.04 -1.76 2.13 0.99 -1.14 -4.90 117.46 113.01 1h29 n PHE 256 Ca 0.03 0.42 -0.41 0.00 -0.00 0.00 0.00 57.45 57.49 1h29 n PHE 256 Cb 0.40 -2.46 -0.01 0.00 -1.00 0.00 0.00 39.48 36.41 1h29 n PHE 256 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1h29 s LYS 257 N 0.13 4.11 -0.21 -1.08 2.36 -1.26 -4.99 119.74 118.80 1h29 s LYS 257 Ca 0.74 2.60 0.01 0.00 -2.55 0.00 0.00 55.97 56.77 1h29 s LYS 257 Cb -0.71 -3.01 0.03 0.00 -1.05 0.00 0.00 37.83 33.09 1h29 s LYS 257 CO 0.46 -0.64 -0.16 0.08 1.55 0.00 0.00 175.35 176.63 1h29 s VAL 258 N -0.08 2.15 -0.13 4.02 1.01 -1.26 -4.86 120.40 121.26 1h29 s VAL 258 Ca 0.63 -1.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 1h29 s VAL 258 Cb -0.48 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1h29 s VAL 258 CO 0.49 0.34 0.85 -0.69 0.00 0.00 0.00 175.10 176.10 1h29 s VAL 259 N 1.23 4.89 -0.04 2.92 1.01 -1.26 -4.94 120.40 124.21 1h29 s VAL 259 Ca 0.00 1.70 -0.23 0.00 0.00 0.00 0.00 61.98 63.45 1h29 s VAL 259 Cb -0.15 -4.16 -0.24 0.00 0.00 0.00 0.00 36.38 31.82 1h29 s VAL 259 CO -0.10 0.07 1.03 -0.09 0.00 0.00 0.00 175.10 176.01 1h29 h ARG 260 N 7.16 0.23 -4.39 2.72 2.43 -1.99 -3.42 114.38 117.13 1h29 h ARG 260 Ca -0.32 -0.26 -0.75 0.00 -0.81 0.00 0.00 59.98 57.84 1h29 h ARG 260 Cb 1.15 0.08 -0.22 0.00 -0.42 0.00 0.00 29.97 30.56 1h29 h ARG 260 CO 0.82 0.99 0.77 -1.21 -1.51 0.00 0.00 179.97 179.83 1h29 s GLU 261 N -3.06 3.89 -0.28 0.20 8.01 -1.26 -4.99 118.70 121.21 1h29 s GLU 261 Ca -0.15 -2.48 -0.04 0.00 0.01 0.00 0.00 54.97 52.30 1h29 s GLU 261 Cb 0.01 -4.79 0.02 0.00 -4.31 0.00 0.00 34.13 25.06 1h29 s GLU 261 CO 0.77 -1.56 0.02 0.08 0.01 0.00 0.00 175.26 174.57 1h29 s VAL 262 N 0.97 3.43 1.19 2.63 1.01 -1.26 -5.11 120.40 123.26 1h29 s VAL 262 Ca 0.33 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 1h29 s VAL 262 Cb -0.06 -2.79 0.30 0.00 0.00 0.00 0.00 36.38 33.83 1h29 s VAL 262 CO -0.06 0.10 1.02 -2.16 0.00 0.00 0.00 175.10 173.99 1h29 s PRO 263 N 1.40 -1.16 0.33 2.72 0.04 -1.26 -4.96 135.00 132.10 1h29 s PRO 263 Ca 0.01 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 61.55 1h29 s PRO 263 Cb -0.17 -1.53 -0.11 0.00 0.04 0.00 0.00 34.50 32.72 1h29 s PRO 263 CO -0.01 -3.88 1.53 -2.13 0.04 0.00 0.00 177.00 172.56 1h29 n ARG 264 N -5.02 2.66 -3.08 4.56 0.63 -1.26 -4.97 116.66 110.17 1h29 n ARG 264 Ca 0.02 0.94 -0.43 0.00 -0.92 0.00 0.00 57.85 57.46 1h29 n ARG 264 Cb 0.54 -2.69 -0.06 0.00 0.45 0.00 0.00 32.46 30.70 1h29 n ARG 264 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1h29 s LEU 265 N -1.18 4.53 -0.41 6.15 2.96 -1.26 -5.01 118.68 124.46 1h29 s LEU 265 Ca 0.59 -0.43 -0.12 0.00 -0.22 0.00 0.00 54.13 53.95 1h29 s LEU 265 Cb -0.49 -2.70 0.05 0.00 0.50 0.00 0.00 46.19 43.54 1h29 s LEU 265 CO 0.56 -0.85 0.28 -0.62 -1.32 0.00 0.00 176.35 174.40 1h29 s ASP 266 N 2.21 5.87 -0.13 3.68 3.68 -1.26 -4.84 116.67 125.88 1h29 s ASP 266 Ca 0.22 -1.16 0.15 0.00 2.13 0.00 0.00 52.55 53.89 1h29 s ASP 266 Cb -0.15 -2.07 0.34 0.00 -1.45 0.00 0.00 42.92 39.59 1h29 s ASP 266 CO 0.18 -0.49 1.17 -1.14 0.13 0.00 0.00 175.17 175.02 1h29 n ARG 267 N 5.05 1.06 -1.05 4.34 0.63 -1.26 -4.99 116.66 120.44 1h29 n ARG 267 Ca -0.11 -2.62 -0.02 0.00 -0.92 0.00 0.00 57.85 54.18 1h29 n ARG 267 Cb 0.45 -1.19 -0.01 0.00 0.45 0.00 0.00 32.46 32.16 1h29 n ARG 267 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1h29 n GLY 268 N -0.82 0.51 3.52 5.14 0.00 -1.26 -4.74 105.19 107.54 1h29 n GLY 268 Ca 0.14 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1h29 n GLY 268 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h29 n GLN 269 N -2.91 -0.53 -2.42 1.61 3.00 -1.26 -5.01 117.38 109.85 1h29 n GLN 269 Ca -0.02 -0.11 -0.32 0.00 -0.01 0.00 0.00 57.00 56.55 1h29 n GLN 269 Cb 0.06 -2.08 -0.03 0.00 0.00 0.00 0.00 30.24 28.19 1h29 n GLN 269 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1h29 s PRO 270 N -4.07 3.92 0.04 -1.09 0.04 -1.26 -4.98 135.00 127.59 1h29 s PRO 270 Ca 0.61 1.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.50 1h29 s PRO 270 Cb -0.22 -2.13 -0.28 0.00 0.04 0.00 0.00 34.50 31.92 1h29 s PRO 270 CO 0.63 -0.30 1.09 -0.44 0.04 0.00 0.00 177.00 178.03 1h29 h ASP 271 N 1.02 0.78 -3.70 6.66 3.32 -1.95 -3.37 116.42 119.18 1h29 h ASP 271 Ca -0.47 -0.82 -0.58 0.00 0.02 0.00 0.00 57.03 55.18 1h29 h ASP 271 Cb 1.19 -0.25 -0.32 0.00 0.22 0.00 0.00 39.33 40.17 1h29 h ASP 271 CO 0.61 1.52 -0.84 0.00 -1.72 0.00 0.00 179.24 178.80 1h29 s ALA 272 N -3.00 1.63 0.00 3.45 0.00 -1.26 -1.45 121.76 121.13 1h29 s ALA 272 Ca -0.11 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1h29 s ALA 272 Cb 0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1h29 s ALA 272 CO 0.90 0.25 -0.05 0.00 0.00 0.00 0.00 175.76 176.86 1h29 s ALA 273 N 0.22 3.07 -0.36 0.00 0.00 -0.75 -4.31 121.76 119.63 1h29 s ALA 273 Ca -0.09 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.80 1h29 s ALA 273 Cb -0.14 -1.17 0.06 0.00 0.00 0.00 0.00 23.12 21.86 1h29 s ALA 273 CO 0.04 0.62 0.14 -1.17 0.00 0.00 0.00 175.76 175.39 1h29 s LEU 274 N -1.44 4.56 -0.15 0.00 2.96 -1.26 -1.69 118.68 121.66 1h29 s LEU 274 Ca 0.17 -1.32 -0.11 0.00 -0.22 0.00 0.00 54.13 52.66 1h29 s LEU 274 Cb -0.11 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 1h29 s LEU 274 CO 0.08 -0.39 0.20 -0.63 -1.32 0.00 0.00 176.35 174.29 1h29 s ILE 275 N 1.37 5.37 0.14 6.68 1.01 0.87 -4.98 121.20 131.66 1h29 s ILE 275 Ca 0.00 0.35 0.07 0.00 0.00 0.00 0.00 60.65 61.08 1h29 s ILE 275 Cb -0.21 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1h29 s ILE 275 CO 0.02 0.48 -0.17 -0.76 0.00 0.00 0.00 174.94 174.51 1h29 s LEU 276 N -0.04 2.41 -1.10 2.97 1.43 -1.26 -2.37 118.68 120.72 1h29 s LEU 276 Ca 0.13 -0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 52.23 1h29 s LEU 276 Cb -0.12 -0.73 -0.07 0.00 0.03 0.00 0.00 46.19 45.31 1h29 s LEU 276 CO 0.02 -0.07 2.08 -0.81 0.23 0.00 0.00 176.35 177.81 1h29 n PRO 277 N 0.44 2.16 -1.79 1.29 -0.04 -1.26 -4.91 135.00 130.89 1h29 n PRO 277 Ca -0.14 -2.19 -0.42 0.00 -0.04 0.00 0.00 63.50 60.71 1h29 n PRO 277 Cb 0.57 -3.08 -0.03 0.00 -0.04 0.00 0.00 33.50 30.92 1h29 n PRO 277 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1h29 s VAL 278 N 4.11 3.18 0.64 0.52 1.01 -1.26 -4.74 120.40 123.85 1h29 s VAL 278 Ca 0.52 0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.69 1h29 s VAL 278 Cb 0.14 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.37 1h29 s VAL 278 CO 0.02 -0.02 0.97 -2.16 0.00 0.00 0.00 175.10 173.91 1h29 s PRO 279 N 4.17 2.77 0.97 2.72 0.04 -1.26 -1.04 135.00 143.38 1h29 s PRO 279 Ca 0.83 0.06 -0.14 0.00 0.04 0.00 0.00 61.00 61.79 1h29 s PRO 279 Cb -0.40 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 31.96 1h29 s PRO 279 CO 0.37 -0.88 0.17 0.41 0.04 0.00 0.00 177.00 177.12 1h29 n GLY 280 N -2.75 -2.45 0.00 0.56 0.00 -1.26 -4.85 105.19 94.44 1h29 n GLY 280 Ca 0.06 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.39 1h29 n GLY 280 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h29 n LYS 281 N -1.08 0.17 -0.13 1.61 4.76 -1.26 -2.63 118.16 119.60 1h29 n LYS 281 Ca 0.05 0.17 -0.26 0.00 -2.87 0.00 0.00 58.31 55.40 1h29 n LYS 281 Cb 0.55 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.13 1h29 n LYS 281 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1h29 n ASP 282 N -1.32 1.96 -4.71 4.39 5.68 -1.26 -5.05 116.55 116.25 1h29 n ASP 282 Ca 0.06 0.20 -0.35 0.00 -0.50 0.00 0.00 54.79 54.20 1h29 n ASP 282 Cb 0.12 -0.71 0.10 0.00 -1.14 0.00 0.00 41.12 39.48 1h29 n ASP 282 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h29 n ALA 283 N -3.87 0.57 -1.77 2.12 0.00 -1.08 -4.95 120.51 111.52 1h29 n ALA 283 Ca -0.50 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.37 1h29 n ALA 283 Cb 0.91 -2.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.08 1h29 n ALA 283 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1h29 n PRO 284 N -2.54 2.69 -1.50 0.00 -0.02 -1.26 -4.81 135.00 127.55 1h29 n PRO 284 Ca 0.15 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 62.15 1h29 n PRO 284 Cb 0.49 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 1h29 n PRO 284 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1h29 n ARG 285 N 0.54 2.25 -4.35 -0.52 0.63 -1.26 -4.89 116.66 109.06 1h29 n ARG 285 Ca 0.02 -2.28 -0.18 0.00 -0.92 0.00 0.00 57.85 54.49 1h29 n ARG 285 Cb 0.39 -3.14 -0.10 0.00 0.45 0.00 0.00 32.46 30.06 1h29 n ARG 285 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1h29 s GLU 286 N 4.05 1.42 -0.25 -0.14 2.02 -1.26 -4.22 118.70 120.32 1h29 s GLU 286 Ca 0.52 -1.75 0.15 0.00 0.02 0.00 0.00 54.97 53.91 1h29 s GLU 286 Cb 0.14 -0.53 0.47 0.00 0.10 0.00 0.00 34.13 34.30 1h29 s GLU 286 CO 0.01 -0.18 1.16 -1.33 0.02 0.00 0.00 175.26 174.94 1h29 n MET 287 N -0.48 2.43 -2.01 1.61 2.81 0.22 -4.89 117.12 116.80 1h29 n MET 287 Ca -0.03 -3.66 -0.42 0.00 -1.81 0.00 0.00 57.70 51.78 1h29 n MET 287 Cb 0.65 -1.78 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 1h29 n MET 287 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1h29 s LYS 288 N -3.32 4.23 -0.64 0.03 1.02 -1.25 -3.35 119.74 116.47 1h29 s LYS 288 Ca 0.40 2.24 0.00 0.00 0.02 0.00 0.00 55.97 58.63 1h29 s LYS 288 Cb 0.37 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1h29 s LYS 288 CO -0.02 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.18 1h29 n GLY 289 N 3.82 0.83 4.00 -3.33 0.00 -1.26 -5.02 105.19 104.23 1h29 n GLY 289 Ca 0.14 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 1h29 n GLY 289 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h29 s THR 290 N -2.15 3.42 0.70 2.61 -4.23 -1.21 -5.10 115.64 109.67 1h29 s THR 290 Ca 0.00 -0.97 -0.15 0.00 -1.18 0.00 0.00 61.69 59.39 1h29 s THR 290 Cb 0.00 -3.17 0.02 0.00 1.34 0.00 0.00 72.50 70.69 1h29 s THR 290 CO 0.00 -0.07 1.17 -0.04 -0.54 0.00 0.00 174.62 175.14 1h29 s MET 291 N -4.31 2.43 0.75 3.99 -1.94 -1.26 -5.02 119.30 113.94 1h29 s MET 291 Ca 0.51 1.61 -0.16 0.00 -1.71 0.00 0.00 55.69 55.94 1h29 s MET 291 Cb -0.10 -1.88 -0.04 0.00 2.01 0.00 0.00 34.83 34.82 1h29 s MET 291 CO 0.33 -1.58 0.43 1.63 -0.01 0.00 0.00 175.02 175.81 1h29 n LYS 292 N -2.57 0.20 -0.80 2.03 5.02 -1.26 -4.95 118.16 115.84 1h29 n LYS 292 Ca 0.12 0.11 -0.29 0.00 -2.02 0.00 0.00 58.31 56.23 1h29 n LYS 292 Cb 0.51 -1.76 0.24 0.00 -0.02 0.00 0.00 35.03 34.00 1h29 n LYS 292 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1h29 s PRO 293 N -2.75 -1.19 -0.07 1.97 0.04 -1.24 -4.54 135.00 127.22 1h29 s PRO 293 Ca 0.63 0.34 -0.00 0.00 0.04 0.00 0.00 61.00 62.01 1h29 s PRO 293 Cb -0.33 -1.56 0.02 0.00 0.04 0.00 0.00 34.50 32.67 1h29 s PRO 293 CO 0.61 -3.78 -0.04 0.08 0.04 0.00 0.00 177.00 173.91 1h29 s VAL 294 N -2.69 0.60 0.09 -0.36 1.01 -1.00 -1.53 120.40 116.52 1h29 s VAL 294 Ca 0.68 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 1h29 s VAL 294 Cb -0.17 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1h29 s VAL 294 CO 0.59 0.27 0.31 0.00 0.00 0.00 0.00 175.10 176.27 1h29 s ALA 295 N 1.47 3.86 -0.09 5.51 0.00 -1.26 -0.09 121.76 131.16 1h29 s ALA 295 Ca -0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 1h29 s ALA 295 Cb -0.13 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 21.00 1h29 s ALA 295 CO -0.03 0.71 0.18 0.12 0.00 0.00 0.00 175.76 176.73 1h29 s PHE 296 N -1.52 -0.22 -1.23 0.00 5.36 -0.68 -4.98 117.98 114.71 1h29 s PHE 296 Ca 0.36 0.67 -0.20 0.00 -0.96 0.00 0.00 56.93 56.80 1h29 s PHE 296 Cb -0.13 -0.22 -0.01 0.00 -0.34 0.00 0.00 43.02 42.32 1h29 s PHE 296 CO 0.23 -0.28 1.86 -3.47 -1.46 0.00 0.00 175.22 172.10 1h29 n ASP 297 N 5.31 3.95 -0.06 6.13 -0.08 -1.26 -1.81 116.55 128.74 1h29 n ASP 297 Ca -0.05 -2.81 -0.07 0.00 -1.51 0.00 0.00 54.79 50.35 1h29 n ASP 297 Cb 0.50 -1.70 -0.01 0.00 2.34 0.00 0.00 41.12 42.25 1h29 n ASP 297 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1h29 h HIS 298 N 8.34 -0.46 -0.66 -0.67 -0.00 -1.54 -1.97 115.15 118.19 1h29 h HIS 298 Ca 0.36 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.83 1h29 h HIS 298 Cb 0.87 0.24 -0.06 0.00 -0.00 0.00 0.00 27.41 28.46 1h29 h HIS 298 CO 1.33 -0.25 0.36 -0.22 -0.00 0.00 0.00 177.93 179.15 1h29 h LYS 299 N -0.16 0.64 -0.29 5.26 3.64 -1.59 0.08 116.57 124.15 1h29 h LYS 299 Ca 0.14 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1h29 h LYS 299 Cb 0.38 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1h29 h LYS 299 CO -0.36 0.42 0.12 0.00 -2.27 0.00 0.00 179.45 177.36 1h29 h ALA 300 N 1.36 0.38 -0.96 5.00 0.00 -1.80 -3.06 119.26 120.17 1h29 h ALA 300 Ca 0.30 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1h29 h ALA 300 Cb 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1h29 h ALA 300 CO -0.20 -0.03 0.62 0.45 0.00 0.00 0.00 179.25 180.10 1h29 h HIS 301 N 0.32 1.22 -0.48 0.00 3.86 -0.70 -1.98 115.15 117.38 1h29 h HIS 301 Ca 0.10 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.42 1h29 h HIS 301 Cb 0.18 -0.41 -0.10 0.00 1.06 0.00 0.00 27.41 28.14 1h29 h HIS 301 CO -0.01 0.78 -0.17 0.93 0.86 0.00 0.00 177.93 180.33 1h29 h GLU 302 N 1.31 -0.06 0.00 2.45 5.08 -0.97 -1.03 114.58 121.36 1h29 h GLU 302 Ca 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1h29 h GLU 302 Cb -0.13 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1h29 h GLU 302 CO -0.07 -0.04 -0.08 0.00 -1.00 0.00 0.00 179.01 177.82 1h29 h ALA 303 N 1.36 1.07 -0.01 3.43 0.00 -1.27 -1.86 119.26 121.98 1h29 h ALA 303 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1h29 h ALA 303 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1h29 h ALA 303 CO -0.53 0.10 -0.43 1.63 0.00 0.00 0.00 179.25 180.03 1h29 n LYS 304 N -3.29 1.44 -3.76 0.00 4.76 -0.88 -4.98 118.16 111.46 1h29 n LYS 304 Ca -0.01 -0.85 -0.20 0.00 -2.87 0.00 0.00 58.31 54.38 1h29 n LYS 304 Cb 0.29 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.09 1h29 n LYS 304 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h29 s ALA 305 N -2.20 4.03 -0.88 7.82 0.00 -0.44 -5.04 121.76 125.04 1h29 s ALA 305 Ca 0.15 -1.38 0.25 0.00 0.00 0.00 0.00 51.96 50.98 1h29 s ALA 305 Cb 0.15 -1.62 0.52 0.00 0.00 0.00 0.00 23.12 22.18 1h29 s ALA 305 CO 0.50 0.10 1.43 0.09 0.00 0.00 0.00 175.76 177.89 1h29 n ASN 306 N -1.48 0.51 0.00 0.00 4.13 -1.26 -4.94 115.26 112.21 1h29 n ASN 306 Ca -0.04 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.16 1h29 n ASN 306 Cb 0.58 0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.97 1h29 n ASN 306 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1h29 n ASP 307 N -1.70 0.00 0.04 6.41 5.68 -1.26 -2.55 116.55 123.17 1h29 n ASP 307 Ca 0.05 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.16 1h29 n ASP 307 Cb 0.37 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.21 1h29 n ASP 307 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h29 n ARG 309 N -3.43 0.27 -0.16 0.00 1.85 -1.26 -2.04 116.66 111.89 1h29 n ARG 309 Ca -0.23 0.03 0.12 0.00 -1.00 0.00 0.00 57.85 56.77 1h29 n ARG 309 Cb 1.05 -1.50 0.45 0.00 -1.05 0.00 0.00 32.46 31.41 1h29 n ARG 309 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 1h29 h THR 310 N 0.00 0.88 0.00 8.89 2.02 -1.97 -3.03 112.91 119.70 1h29 h THR 310 Ca 0.00 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1h29 h THR 310 Cb 0.32 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1h29 h THR 310 CO 0.00 0.10 -0.88 0.00 0.37 0.00 0.00 175.52 175.11 1h29 n HIS 312 N -4.31 1.74 0.26 0.00 8.25 -0.86 -4.71 115.22 115.58 1h29 n HIS 312 Ca -0.13 -2.03 0.14 0.00 -0.26 0.00 0.00 57.72 55.44 1h29 n HIS 312 Cb 0.45 -1.78 0.64 0.00 1.12 0.00 0.00 29.99 30.42 1h29 n HIS 312 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1h29 h HIS 313 N 6.78 0.00 0.00 4.41 -0.00 -1.79 -3.12 115.15 121.43 1h29 h HIS 313 Ca 0.49 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 60.52 1h29 h HIS 313 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.73 1h29 h HIS 313 CO 1.67 0.12 -2.19 0.28 -0.00 0.00 0.00 177.93 177.81 1h29 n VAL 314 N -3.34 1.18 -3.57 6.12 0.31 -1.26 -5.01 118.33 112.74 1h29 n VAL 314 Ca -0.00 -0.36 -0.05 0.00 -0.01 0.00 0.00 64.34 63.91 1h29 n VAL 314 Cb 0.32 -1.57 -0.02 0.00 -0.91 0.00 0.00 33.84 31.66 1h29 n VAL 314 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h29 s ARG 315 N -2.40 0.61 0.10 5.55 1.70 -1.18 -4.27 118.95 119.06 1h29 s ARG 315 Ca -0.29 -0.25 -0.31 0.00 -0.47 0.00 0.00 55.73 54.41 1h29 s ARG 315 Cb 0.10 0.26 -0.07 0.00 -0.57 0.00 0.00 34.95 34.67 1h29 s ARG 315 CO 0.41 -0.27 1.29 0.42 -1.08 0.00 0.00 175.30 176.07 1h29 s ILE 316 N -2.79 3.65 0.00 4.99 1.01 -1.26 -4.70 121.20 122.11 1h29 s ILE 316 Ca 0.08 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.94 1h29 s ILE 316 Cb -0.00 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1h29 s ILE 316 CO -0.06 0.10 0.00 -0.67 0.00 0.00 0.00 174.94 174.32 1h29 n ASP 317 N 3.79 0.00 -4.66 3.58 -0.08 -1.26 -5.13 116.55 112.79 1h29 n ASP 317 Ca 0.10 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.08 1h29 n ASP 317 Cb 0.44 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.07 1h29 n ASP 317 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1h29 s THR 318 N -2.00 2.41 0.03 5.18 -4.23 -1.26 -4.95 115.64 110.82 1h29 s THR 318 Ca 0.00 0.13 0.10 0.00 -1.18 0.00 0.00 61.69 60.74 1h29 s THR 318 Cb 0.00 -2.43 -0.19 0.00 1.34 0.00 0.00 72.50 71.23 1h29 s THR 318 CO 0.00 -0.17 1.07 0.00 -0.54 0.00 0.00 174.62 174.98 1h29 n THR 320 N -3.22 0.67 -0.15 0.00 -2.24 -1.26 -0.20 114.28 107.88 1h29 n THR 320 Ca -0.06 0.08 0.27 0.00 -2.27 0.00 0.00 64.05 62.07 1h29 n THR 320 Cb 0.95 -0.87 0.72 0.00 -2.10 0.00 0.00 70.33 69.04 1h29 n THR 320 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h29 h ALA 321 N 2.52 2.80 0.00 6.98 0.00 -1.96 -3.32 119.26 126.28 1h29 h ALA 321 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1h29 h ALA 321 Cb 0.44 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1h29 h ALA 321 CO 0.00 -1.04 -0.92 0.00 0.00 0.00 0.00 179.25 177.28 1h29 n HIS 323 N -2.85 2.99 -1.13 0.00 8.25 0.72 -3.36 115.22 119.84 1h29 n HIS 323 Ca 0.00 -3.00 -0.30 0.00 -0.26 0.00 0.00 57.72 54.16 1h29 n HIS 323 Cb 0.46 -2.43 0.14 0.00 1.12 0.00 0.00 29.99 29.28 1h29 n HIS 323 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1h29 s THR 324 N 2.26 2.63 0.37 1.59 -4.23 -1.25 -3.44 115.64 113.57 1h29 s THR 324 Ca 0.56 0.20 0.19 0.00 -1.18 0.00 0.00 61.69 61.46 1h29 s THR 324 Cb 0.15 -2.63 0.37 0.00 1.34 0.00 0.00 72.50 71.74 1h29 s THR 324 CO -0.07 -0.27 1.66 1.62 -0.54 0.00 0.00 174.62 177.03 1h29 h VAL 325 N -1.61 0.27 -0.45 2.29 3.04 -1.38 0.44 116.25 118.86 1h29 h VAL 325 Ca -0.49 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1h29 h VAL 325 Cb 1.28 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1h29 h VAL 325 CO 0.53 0.05 0.00 -0.46 -1.01 0.00 0.00 177.57 176.68 1h29 n ASN 326 N -4.93 3.37 -0.81 3.17 2.04 -1.26 -4.18 115.26 112.65 1h29 n ASN 326 Ca 0.32 -2.11 0.09 0.00 -0.44 0.00 0.00 54.58 52.44 1h29 n ASN 326 Cb 1.08 -0.34 -0.05 0.00 -2.53 0.00 0.00 39.78 37.95 1h29 n ASN 326 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1h29 n GLY 327 N 0.72 -3.10 3.19 4.83 0.00 0.15 -4.79 105.19 106.20 1h29 n GLY 327 Ca 0.16 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 1h29 n GLY 327 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h29 s THR 328 N -3.82 0.46 0.34 2.61 -4.23 -1.21 -4.73 115.64 105.05 1h29 s THR 328 Ca 0.00 -1.94 0.12 0.00 -1.18 0.00 0.00 61.69 58.69 1h29 s THR 328 Cb 0.00 -2.00 0.36 0.00 1.34 0.00 0.00 72.50 72.20 1h29 s THR 328 CO 0.00 -0.56 1.60 0.00 -0.54 0.00 0.00 174.62 175.13 1h29 h ALA 329 N 2.81 1.76 0.00 3.99 0.00 -1.93 0.54 119.26 126.43 1h29 h ALA 329 Ca -0.36 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1h29 h ALA 329 Cb 1.19 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1h29 h ALA 329 CO 0.62 -0.72 -0.09 -0.44 0.00 0.00 0.00 179.25 178.62 1h29 h ASP 330 N 0.09 0.00 -0.54 0.00 3.45 -1.96 -1.88 116.42 115.59 1h29 h ASP 330 Ca 0.72 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.18 1h29 h ASP 330 Cb 1.73 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.50 1h29 h ASP 330 CO -0.76 0.09 0.00 -1.54 -1.57 0.00 0.00 179.24 175.46 1h29 n SER 331 N -3.29 3.49 -2.50 6.45 3.41 0.90 -4.90 113.62 117.19 1h29 n SER 331 Ca -0.00 -1.98 -0.15 0.00 -0.26 0.00 0.00 58.87 56.48 1h29 n SER 331 Cb 0.30 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.89 1h29 n SER 331 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1h29 n LYS 332 N 1.21 -2.27 -0.99 4.33 5.02 -0.63 -1.51 118.16 123.32 1h29 n LYS 332 Ca 0.19 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1h29 n LYS 332 Cb 0.54 -5.30 0.00 0.00 -0.02 0.00 0.00 35.03 30.25 1h29 n LYS 332 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1h29 n PHE 333 N -3.56 0.00 -1.77 2.13 3.01 0.15 -4.96 117.46 112.46 1h29 n PHE 333 Ca -0.16 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.87 1h29 n PHE 333 Cb 0.62 -0.93 -0.03 0.00 -0.01 0.00 0.00 39.48 39.13 1h29 n PHE 333 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1h29 s VAL 334 N -1.58 3.20 0.78 -4.37 1.01 -0.57 -4.45 120.40 114.42 1h29 s VAL 334 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 1h29 s VAL 334 Cb 0.00 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1h29 s VAL 334 CO 0.00 -0.12 1.10 -1.10 0.00 0.00 0.00 175.10 174.98 1h29 s GLN 335 N 5.63 2.15 0.33 2.72 -0.21 -1.26 -4.50 119.66 124.51 1h29 s GLN 335 Ca 0.90 1.25 0.07 0.00 0.02 0.00 0.00 55.36 57.60 1h29 s GLN 335 Cb -0.31 -1.88 0.75 0.00 1.00 0.00 0.00 33.01 32.57 1h29 s GLN 335 CO 0.35 -1.74 1.83 1.25 -2.12 0.00 0.00 175.29 174.87 1h29 h LEU 336 N -1.10 0.74 -0.41 2.90 5.85 -1.45 -1.90 115.31 119.93 1h29 h LEU 336 Ca -0.44 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.42 1h29 h LEU 336 Cb 1.24 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1h29 h LEU 336 CO 0.50 0.35 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.76 1h29 h GLU 337 N 0.77 -0.00 -0.43 1.25 4.22 -1.87 -0.83 114.58 117.69 1h29 h GLU 337 Ca 0.50 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.80 1h29 h GLU 337 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1h29 h GLU 337 CO -0.27 -0.00 -0.29 0.87 -2.18 0.00 0.00 179.01 177.15 1h29 h LYS 338 N -0.00 0.93 -0.21 1.92 1.57 -1.73 -1.92 116.57 117.13 1h29 h LYS 338 Ca 0.20 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1h29 h LYS 338 Cb 0.31 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1h29 h LYS 338 CO -0.43 1.09 0.14 0.00 -0.57 0.00 0.00 179.45 179.69 1h29 h ALA 339 N 0.88 1.89 0.00 3.86 0.00 -0.74 -1.87 119.26 123.28 1h29 h ALA 339 Ca 0.09 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 1h29 h ALA 339 Cb 0.86 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1h29 h ALA 339 CO 0.08 0.09 -2.13 -1.33 0.00 0.00 0.00 179.25 175.96 1h29 n MET 340 N -4.51 0.67 0.00 0.00 2.81 -0.39 -3.92 117.12 111.78 1h29 n MET 340 Ca 0.00 -0.02 0.03 0.00 -1.81 0.00 0.00 57.70 55.90 1h29 n MET 340 Cb 0.10 -1.57 -0.02 0.00 -0.71 0.00 0.00 33.22 31.03 1h29 n MET 340 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1h29 n HIS 341 N -2.64 0.00 -1.45 2.03 8.25 -0.73 -0.49 115.22 120.19 1h29 n HIS 341 Ca -0.21 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.75 1h29 n HIS 341 Cb 0.95 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.99 1h29 n HIS 341 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1h29 n GLN 342 N -0.71 1.05 0.01 -0.41 -0.06 -0.71 -4.41 117.38 112.15 1h29 n GLN 342 Ca 0.02 0.28 0.09 0.00 -2.00 0.00 0.00 57.00 55.38 1h29 n GLN 342 Cb 0.12 -2.47 0.38 0.00 -4.06 0.00 0.00 30.24 24.20 1h29 n GLN 342 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1h29 n PRO 343 N 8.23 0.02 -0.17 3.69 -0.04 -1.26 -2.58 135.00 142.89 1h29 n PRO 343 Ca 0.42 0.22 0.07 0.00 -0.04 0.00 0.00 63.50 64.17 1h29 n PRO 343 Cb 0.23 -1.53 0.10 0.00 -0.04 0.00 0.00 33.50 32.26 1h29 n PRO 343 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1h29 n ASP 344 N -1.57 1.77 -4.43 3.54 5.75 -1.26 -4.34 116.55 116.01 1h29 n ASP 344 Ca 0.04 -2.79 -0.32 0.00 -0.01 0.00 0.00 54.79 51.71 1h29 n ASP 344 Cb 0.21 -0.36 -0.14 0.00 -1.03 0.00 0.00 41.12 39.80 1h29 n ASP 344 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1h29 s SER 345 N -2.38 3.73 0.20 -1.12 0.15 -1.07 -5.03 113.70 108.19 1h29 s SER 345 Ca 0.24 -0.32 0.21 0.00 0.70 0.00 0.00 55.95 56.78 1h29 s SER 345 Cb 0.21 -0.66 0.90 0.00 -1.71 0.00 0.00 66.02 64.75 1h29 s SER 345 CO 0.02 0.32 1.65 0.23 1.20 0.00 0.00 173.24 176.66 1h29 n MET 346 N 2.15 0.15 0.05 5.44 2.81 -1.26 -2.80 117.12 123.66 1h29 n MET 346 Ca -0.17 0.39 -0.11 0.00 -1.81 0.00 0.00 57.70 56.00 1h29 n MET 346 Cb 0.52 -1.79 -0.13 0.00 -0.71 0.00 0.00 33.22 31.11 1h29 n MET 346 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1h29 h ARG 347 N 0.00 0.11 -7.20 0.03 3.08 -1.93 -3.38 114.38 105.08 1h29 h ARG 347 Ca 0.00 -0.18 -0.48 0.00 0.07 0.00 0.00 59.98 59.39 1h29 h ARG 347 Cb 0.33 0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.47 1h29 h ARG 347 CO 0.00 0.97 0.38 -1.54 -1.07 0.00 0.00 179.97 178.70 1h29 s SER 348 N -6.73 6.49 0.12 7.04 1.04 -1.20 -4.89 113.70 115.58 1h29 s SER 348 Ca -0.03 1.60 -0.28 0.00 0.48 0.00 0.00 55.95 57.72 1h29 s SER 348 Cb 0.08 -2.51 -0.07 0.00 0.10 0.00 0.00 66.02 63.62 1h29 s SER 348 CO 0.84 -0.68 1.62 0.00 0.98 0.00 0.00 173.24 176.00 1h29 h VAL 350 N -0.50 1.28 -0.16 0.00 2.07 -1.75 -2.71 116.25 114.48 1h29 h VAL 350 Ca 0.05 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1h29 h VAL 350 Cb 0.56 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1h29 h VAL 350 CO -0.22 0.43 0.07 1.23 0.02 0.00 0.00 177.57 179.09 1h29 h GLY 351 N 0.66 0.25 1.14 2.17 0.00 -1.48 0.23 103.07 106.04 1h29 h GLY 351 Ca 0.10 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1h29 h GLY 351 CO 0.05 0.13 0.08 0.00 0.00 0.00 0.00 176.54 176.79 1h29 h HIS 353 N 0.98 1.10 -0.21 0.00 3.86 -1.17 -1.37 115.15 118.34 1h29 h HIS 353 Ca 0.19 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.47 1h29 h HIS 353 Cb 0.45 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1h29 h HIS 353 CO 0.03 0.71 0.15 -0.91 0.86 0.00 0.00 177.93 178.78 1h29 h ASN 354 N 1.16 0.00 0.39 2.45 2.35 -0.21 -1.39 115.58 120.33 1h29 h ASN 354 Ca 0.31 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.86 1h29 h ASN 354 Cb -0.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1h29 h ASN 354 CO -0.06 0.00 -0.85 0.74 -1.65 0.00 0.00 177.43 175.61 1h29 h THR 355 N 0.00 1.42 -0.00 2.81 2.02 -0.77 -3.28 112.91 115.11 1h29 h THR 355 Ca 0.10 -2.39 -0.23 0.00 0.77 0.00 0.00 66.41 64.66 1h29 h THR 355 Cb 0.41 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1h29 h THR 355 CO -0.00 0.71 -0.95 0.03 0.37 0.00 0.00 175.52 175.68 1h29 h ARG 356 N 0.21 0.45 0.00 6.66 2.47 -0.99 -2.63 114.38 120.55 1h29 h ARG 356 Ca -0.05 -0.48 0.00 0.00 -1.26 0.00 0.00 59.98 58.19 1h29 h ARG 356 Cb 1.46 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.92 1h29 h ARG 356 CO 0.14 1.13 0.00 0.28 0.56 0.00 0.00 179.97 182.08 1h29 n VAL 357 N -3.76 1.55 1.11 2.04 0.31 -0.75 -1.54 118.33 117.29 1h29 n VAL 357 Ca -0.07 0.39 0.13 0.00 -0.01 0.00 0.00 64.34 64.77 1h29 n VAL 357 Cb 0.84 -1.32 0.41 0.00 -0.91 0.00 0.00 33.84 32.86 1h29 n VAL 357 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h29 n GLN 358 N -1.45 0.25 -2.00 5.55 6.02 -0.99 -3.28 117.38 121.48 1h29 n GLN 358 Ca 0.01 -0.12 -0.38 0.00 -0.01 0.00 0.00 57.00 56.51 1h29 n GLN 358 Cb 0.04 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 29.82 1h29 n GLN 358 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1h29 s GLN 359 N -2.83 3.42 0.42 -1.09 -2.07 -0.59 -4.65 119.66 112.28 1h29 s GLN 359 Ca 0.17 2.03 0.23 0.00 -1.82 0.00 0.00 55.36 55.97 1h29 s GLN 359 Cb 0.19 -2.33 1.23 0.00 -1.09 0.00 0.00 33.01 31.00 1h29 s GLN 359 CO 0.60 -0.90 1.74 -1.35 -1.32 0.00 0.00 175.29 174.06 1h29 h PRO 360 N 1.73 0.27 -0.51 9.60 0.11 -1.91 0.35 132.00 141.65 1h29 h PRO 360 Ca -0.50 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.69 1h29 h PRO 360 Cb 1.28 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 1h29 h PRO 360 CO 0.59 0.18 -0.06 1.15 -0.21 0.00 0.00 178.00 179.64 1h29 h THR 361 N 0.28 0.54 0.00 -1.15 2.02 -1.90 -3.25 112.91 109.46 1h29 h THR 361 Ca 0.64 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.73 1h29 h THR 361 Cb 1.83 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1h29 h THR 361 CO -0.29 0.01 -1.77 0.00 0.37 0.00 0.00 175.52 173.84 1h29 n ALA 363 N -2.33 1.97 0.25 0.00 0.00 -0.04 -1.88 120.51 118.47 1h29 n ALA 363 Ca -0.08 0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1h29 n ALA 363 Cb 0.69 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 1h29 n ALA 363 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1h29 h GLY 364 N 3.39 -0.62 0.53 0.00 0.00 -1.79 0.05 103.07 104.61 1h29 h GLY 364 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 1h29 h GLY 364 CO 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 176.54 176.23 1h29 h HIS 366 N -0.40 0.00 -0.01 0.00 -0.00 -1.35 -0.02 115.15 113.36 1h29 h HIS 366 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1h29 h HIS 366 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 1h29 h HIS 366 CO 0.12 0.00 -0.09 0.41 -0.00 0.00 0.00 177.93 178.37 1h29 n GLY 367 N 0.45 -0.34 0.36 2.45 0.00 -0.00 -4.26 105.19 103.85 1h29 n GLY 367 Ca 0.02 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1h29 n GLY 367 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1h29 n PHE 368 N -0.26 0.00 -2.66 1.61 7.35 -0.17 -5.04 117.46 118.30 1h29 n PHE 368 Ca 0.17 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.44 1h29 n PHE 368 Cb 0.33 -0.74 -0.04 0.00 0.35 0.00 0.00 39.48 39.38 1h29 n PHE 368 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1h29 s ILE 369 N -2.38 4.45 0.23 -2.13 1.01 -0.36 -5.03 121.20 117.00 1h29 s ILE 369 Ca -0.29 1.93 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 1h29 s ILE 369 Cb 0.11 -4.24 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 1h29 s ILE 369 CO 0.36 0.25 1.09 -0.54 0.00 0.00 0.00 174.94 176.10 1h29 s LYS 370 N 0.33 4.63 0.31 2.79 3.01 -1.26 -4.93 119.74 124.62 1h29 s LYS 370 Ca 0.50 1.74 -0.30 0.00 -1.01 0.00 0.00 55.97 56.91 1h29 s LYS 370 Cb -0.24 -3.24 -0.11 0.00 -1.01 0.00 0.00 37.83 33.23 1h29 s LYS 370 CO 0.30 0.17 1.55 -1.25 0.51 0.00 0.00 175.35 176.63 1h29 s PRO 371 N -0.92 4.13 0.09 -1.68 0.04 -1.26 -4.94 135.00 130.46 1h29 s PRO 371 Ca 0.47 2.55 -0.15 0.00 0.04 0.00 0.00 61.00 63.90 1h29 s PRO 371 Cb -0.30 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 1h29 s PRO 371 CO 0.38 -0.59 1.42 1.15 0.04 0.00 0.00 177.00 179.40 1h29 h THR 372 N 3.31 1.31 -5.81 1.26 2.02 -2.06 -3.47 112.91 109.46 1h29 h THR 372 Ca -0.48 -1.43 -0.41 0.00 0.77 0.00 0.00 66.41 64.86 1h29 h THR 372 Cb 1.22 1.60 -0.12 0.00 -1.74 0.00 0.00 68.15 69.12 1h29 h THR 372 CO 0.76 0.45 -0.61 0.29 0.37 0.00 0.00 175.52 176.78 1h29 n LYS 373 N -4.30 -3.26 -2.17 6.66 4.76 -1.26 -4.94 118.16 113.65 1h29 n LYS 373 Ca -0.04 0.42 -0.34 0.00 -2.87 0.00 0.00 58.31 55.48 1h29 n LYS 373 Cb 0.45 -5.12 0.01 0.00 -1.84 0.00 0.00 35.03 28.53 1h29 n LYS 373 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1h29 s SER 374 N -2.85 5.67 0.34 4.39 1.04 -1.26 -4.84 113.70 116.18 1h29 s SER 374 Ca 0.48 2.08 0.11 0.00 0.48 0.00 0.00 55.95 59.11 1h29 s SER 374 Cb -0.26 -2.57 0.93 0.00 0.10 0.00 0.00 66.02 64.22 1h29 s SER 374 CO 0.60 -1.25 1.74 0.44 0.98 0.00 0.00 173.24 175.75 1h29 h ASP 375 N 0.93 0.63 -0.59 7.02 3.45 -1.99 0.89 116.42 126.77 1h29 h ASP 375 Ca -0.49 0.12 0.01 0.00 0.43 0.00 0.00 57.03 57.10 1h29 h ASP 375 Cb 1.25 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 40.01 1h29 h ASP 375 CO 0.57 0.12 0.38 0.00 -1.57 0.00 0.00 179.24 178.73 1h29 h ALA 376 N 1.69 0.75 -0.19 3.45 0.00 -1.97 0.22 119.26 123.22 1h29 h ALA 376 Ca 0.63 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.49 1h29 h ALA 376 Cb 1.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1h29 h ALA 376 CO -0.42 0.15 0.08 1.96 0.00 0.00 0.00 179.25 181.02 1h29 h GLN 377 N 0.77 0.28 -0.63 0.00 1.08 -1.23 -0.15 115.11 115.22 1h29 h GLN 377 Ca 0.22 -0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.50 1h29 h GLN 377 Cb -0.05 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 1h29 h GLN 377 CO -0.07 0.35 0.42 0.00 -0.95 0.00 0.00 178.83 178.58 1h29 h GLY 379 N 0.33 0.00 0.68 0.00 0.00 0.13 -0.66 103.07 103.55 1h29 h GLY 379 Ca 0.30 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.68 1h29 h GLY 379 CO -0.08 0.00 0.25 -2.08 0.00 0.00 0.00 176.54 174.63 1h29 h VAL 380 N 0.00 0.93 0.07 4.60 2.07 -0.94 -3.28 116.25 119.69 1h29 h VAL 380 Ca -0.00 -0.16 -0.36 0.00 0.82 0.00 0.00 66.70 66.99 1h29 h VAL 380 Cb 0.33 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1h29 h VAL 380 CO 0.02 0.09 -2.10 0.00 0.02 0.00 0.00 177.57 175.59 1h29 s HIS 382 N -2.55 2.98 0.02 0.00 3.76 -0.28 -4.19 115.29 115.03 1h29 s HIS 382 Ca -0.22 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.30 1h29 s HIS 382 Cb 0.07 -3.69 -0.01 0.00 1.11 0.00 0.00 32.58 30.06 1h29 s HIS 382 CO 0.74 -1.12 -0.09 0.08 -0.85 0.00 0.00 174.74 173.50 1h29 s VAL 383 N 2.96 0.65 0.41 -0.90 1.01 -0.58 -4.39 120.40 119.56 1h29 s VAL 383 Ca 0.19 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 1h29 s VAL 383 Cb -0.18 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 1h29 s VAL 383 CO 0.13 -0.02 1.33 0.00 0.00 0.00 0.00 175.10 176.54 1h29 s ALA 384 N -0.61 3.27 -0.19 5.51 0.00 -1.26 -3.66 121.76 124.82 1h29 s ALA 384 Ca -0.01 1.28 -0.26 0.00 0.00 0.00 0.00 51.96 52.97 1h29 s ALA 384 Cb -0.06 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1h29 s ALA 384 CO 0.00 -0.88 0.89 0.00 0.00 0.00 0.00 175.76 175.77 1h29 s ALA 385 N -1.25 3.58 0.42 0.00 0.00 -1.26 -4.93 121.76 118.32 1h29 s ALA 385 Ca 0.57 0.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 1h29 s ALA 385 Cb -0.39 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.31 1h29 s ALA 385 CO 0.50 -0.80 1.44 -2.14 0.00 0.00 0.00 175.76 174.77 1h29 s PRO 386 N 2.53 3.86 2.37 0.00 0.02 -1.26 -3.54 135.00 138.97 1h29 s PRO 386 Ca 0.39 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1h29 s PRO 386 Cb -0.16 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.58 1h29 s PRO 386 CO 0.10 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 1h29 n GLY 387 N 0.54 2.05 2.04 0.52 0.00 -1.26 -4.93 105.19 104.15 1h29 n GLY 387 Ca 0.03 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1h29 n GLY 387 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h29 n PHE 388 N 0.00 0.75 -4.34 1.61 3.72 -1.23 -4.91 117.46 113.06 1h29 n PHE 388 Ca 0.00 0.50 -0.24 0.00 -0.05 0.00 0.00 57.45 57.66 1h29 n PHE 388 Cb 0.00 -1.42 -0.12 0.00 -0.94 0.00 0.00 39.48 37.00 1h29 n PHE 388 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1h29 s ASP 389 N 3.56 2.81 0.75 4.37 1.47 -1.26 -4.55 116.67 123.82 1h29 s ASP 389 Ca 0.74 -0.80 0.00 0.00 1.18 0.00 0.00 52.55 53.67 1h29 s ASP 389 Cb -0.93 -0.17 0.00 0.00 -0.34 0.00 0.00 42.92 41.48 1h29 s ASP 389 CO 0.42 0.04 0.00 0.00 0.68 0.00 0.00 175.17 176.31 1h29 n ALA 390 N 0.59 0.00 0.65 2.11 0.00 -1.26 -1.52 120.51 121.08 1h29 n ALA 390 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.35 1h29 n ALA 390 Cb 0.55 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.34 1h29 n ALA 390 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h29 n LYS 391 N 0.00 0.22 -0.11 0.00 4.01 -1.26 -2.05 118.16 118.97 1h29 n LYS 391 Ca 0.00 0.14 -0.20 0.00 -0.51 0.00 0.00 58.31 57.74 1h29 n LYS 391 Cb 0.00 -1.50 -0.08 0.00 -0.51 0.00 0.00 35.03 32.94 1h29 n LYS 391 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1h29 n GLN 392 N -1.25 0.55 0.00 1.97 7.27 -0.57 -2.06 117.38 123.29 1h29 n GLN 392 Ca 0.07 0.43 -0.11 0.00 0.07 0.00 0.00 57.00 57.46 1h29 n GLN 392 Cb 0.10 -1.62 -0.04 0.00 2.41 0.00 0.00 30.24 31.08 1h29 n GLN 392 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1h29 h VAL 393 N -1.00 0.25 -0.17 1.69 2.07 -1.64 -0.14 116.25 117.31 1h29 h VAL 393 Ca -0.36 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.21 1h29 h VAL 393 Cb 1.23 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 1h29 h VAL 393 CO -0.22 0.00 -0.39 -0.33 0.02 0.00 0.00 177.57 176.66 1h29 h GLU 394 N -0.42 -0.42 -0.75 1.57 5.08 -1.59 -1.57 114.58 116.48 1h29 h GLU 394 Ca 0.09 0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.69 1h29 h GLU 394 Cb 0.57 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1h29 h GLU 394 CO -0.36 -0.28 0.53 0.00 -1.00 0.00 0.00 179.01 177.90 1h29 h ALA 395 N 0.27 2.58 0.00 3.43 0.00 -1.25 0.65 119.26 124.94 1h29 h ALA 395 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1h29 h ALA 395 Cb 0.60 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1h29 h ALA 395 CO -0.41 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 178.45 1h29 n GLY 396 N -1.65 1.79 0.31 0.00 0.00 -0.39 -4.55 105.19 100.70 1h29 n GLY 396 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1h29 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h29 h ALA 397 N 0.00 1.28 0.00 4.61 0.00 -1.22 -1.34 119.26 122.60 1h29 h ALA 397 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1h29 h ALA 397 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1h29 h ALA 397 CO 0.00 -0.43 -0.33 -0.07 0.00 0.00 0.00 179.25 178.41 1h29 h LEU 398 N 0.25 0.00 -0.32 0.00 3.38 -1.83 -3.01 115.31 113.78 1h29 h LEU 398 Ca 0.54 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.40 1h29 h LEU 398 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1h29 h LEU 398 CO -0.61 0.33 -0.55 -0.07 0.09 0.00 0.00 178.44 177.63 1h29 h LEU 399 N 0.00 0.00 -0.01 1.67 3.38 -1.61 -3.19 115.31 115.55 1h29 h LEU 399 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h29 h LEU 399 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1h29 h LEU 399 CO 0.04 0.55 -0.06 0.59 0.09 0.00 0.00 178.44 179.65 1h29 n ASN 400 N -3.36 0.08 -4.76 -0.43 3.02 -1.14 -4.90 115.26 103.77 1h29 n ASN 400 Ca 0.01 0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 54.46 1h29 n ASN 400 Cb 0.69 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 1h29 n ASN 400 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h29 s LEU 401 N -2.94 4.45 1.15 3.41 1.43 -1.21 -5.04 118.68 119.93 1h29 s LEU 401 Ca 0.16 2.54 -0.19 0.00 -1.03 0.00 0.00 54.13 55.61 1h29 s LEU 401 Cb 0.19 -3.64 0.27 0.00 0.03 0.00 0.00 46.19 43.05 1h29 s LEU 401 CO 0.54 -0.46 1.19 -0.54 0.23 0.00 0.00 176.35 177.32 1h29 s LYS 402 N -1.33 -0.84 0.08 1.70 1.02 -1.26 -4.84 119.74 114.28 1h29 s LYS 402 Ca 0.50 -0.28 -0.20 0.00 0.02 0.00 0.00 55.97 56.01 1h29 s LYS 402 Cb -0.38 -1.66 -0.10 0.00 -0.52 0.00 0.00 37.83 35.17 1h29 s LYS 402 CO 0.47 -3.42 1.54 0.00 -0.92 0.00 0.00 175.35 173.02 1h29 h ALA 403 N -2.37 0.27 -0.32 5.17 0.00 -1.99 -1.97 119.26 118.06 1h29 h ALA 403 Ca -0.43 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.36 1h29 h ALA 403 Cb 1.26 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1h29 h ALA 403 CO 0.31 -0.05 -0.10 0.93 0.00 0.00 0.00 179.25 180.34 1h29 h GLU 404 N 0.12 -0.03 -0.76 0.00 3.07 -2.00 -0.62 114.58 114.37 1h29 h GLU 404 Ca 0.06 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 1h29 h GLU 404 Cb 0.33 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1h29 h GLU 404 CO 0.01 -0.02 0.31 1.96 -1.40 0.00 0.00 179.01 179.87 1h29 h GLN 405 N -0.03 1.12 -0.80 2.33 4.20 -1.93 -1.96 115.11 118.05 1h29 h GLN 405 Ca 0.16 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.70 1h29 h GLN 405 Cb 0.27 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 1h29 h GLN 405 CO -0.35 0.91 0.51 0.00 -0.67 0.00 0.00 178.83 179.23 1h29 h ARG 406 N 1.10 0.98 -0.63 1.46 3.08 -0.59 -0.80 114.38 118.99 1h29 h ARG 406 Ca 0.26 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1h29 h ARG 406 Cb 0.19 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1h29 h ARG 406 CO -0.02 0.65 0.20 0.77 -1.07 0.00 0.00 179.97 180.49 1h29 h SER 407 N 1.01 0.88 -0.13 7.04 0.02 -0.51 -0.70 113.55 121.16 1h29 h SER 407 Ca 0.32 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1h29 h SER 407 Cb -0.01 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1h29 h SER 407 CO -0.11 0.82 0.03 1.56 -1.14 0.00 0.00 176.83 178.00 1h29 h GLN 408 N 0.92 0.20 -0.13 3.45 4.20 -0.61 0.21 115.11 123.35 1h29 h GLN 408 Ca 0.21 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1h29 h GLN 408 Cb 0.26 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1h29 h GLN 408 CO -0.01 0.38 -0.05 0.28 -0.67 0.00 0.00 178.83 178.76 1h29 h VAL 409 N -0.01 1.30 -0.47 -0.54 2.07 -1.05 0.20 116.25 117.76 1h29 h VAL 409 Ca 0.04 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1h29 h VAL 409 Cb 0.27 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1h29 h VAL 409 CO 0.00 0.30 0.28 0.00 0.02 0.00 0.00 177.57 178.17 1h29 h ALA 410 N 0.68 0.60 -0.73 1.67 0.00 -1.14 -0.49 119.26 119.84 1h29 h ALA 410 Ca 0.03 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1h29 h ALA 410 Cb 0.49 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1h29 h ALA 410 CO 0.02 0.08 0.48 0.00 0.00 0.00 0.00 179.25 179.83 1h29 h ALA 411 N 1.13 2.05 0.03 0.00 0.00 -0.33 -2.02 119.26 120.12 1h29 h ALA 411 Ca 0.17 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 1h29 h ALA 411 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1h29 h ALA 411 CO -0.03 -0.24 -1.06 0.66 0.00 0.00 0.00 179.25 178.58 1h29 h SER 412 N 0.45 0.09 -0.41 0.00 4.64 0.35 -2.98 113.55 115.70 1h29 h SER 412 Ca 0.35 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1h29 h SER 412 Cb 0.74 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1h29 h SER 412 CO -0.11 1.08 0.14 0.24 -0.87 0.00 0.00 176.83 177.30 1h29 h MET 413 N 0.02 0.62 -0.04 4.77 2.86 -0.75 -0.40 114.93 122.01 1h29 h MET 413 Ca -0.04 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1h29 h MET 413 Cb 1.82 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.38 1h29 h MET 413 CO 0.15 0.61 0.05 -0.07 1.06 0.00 0.00 176.91 178.70 1h29 h LEU 414 N 0.51 0.00 0.20 1.22 3.38 -1.36 0.28 115.31 119.54 1h29 h LEU 414 Ca 0.13 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.78 1h29 h LEU 414 Cb 0.24 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.01 1h29 h LEU 414 CO -0.01 0.00 -1.47 0.28 0.09 0.00 0.00 178.44 177.33 1h29 h SER 415 N 0.00 0.67 1.30 -0.43 0.02 -1.36 -3.38 113.55 110.37 1h29 h SER 415 Ca 0.02 -0.77 -0.05 0.00 -0.84 0.00 0.00 61.79 60.16 1h29 h SER 415 Cb 0.11 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1h29 h SER 415 CO -0.00 1.61 -0.22 0.00 -1.14 0.00 0.00 176.83 177.09 1h29 h ALA 416 N 0.29 0.93 -2.78 3.77 0.00 0.12 -3.45 119.26 118.14 1h29 h ALA 416 Ca -0.24 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 53.90 1h29 h ALA 416 Cb 2.10 -0.03 0.16 0.00 0.00 0.00 0.00 17.79 20.01 1h29 h ALA 416 CO 0.24 0.27 0.16 0.54 0.00 0.00 0.00 179.25 180.45 1h29 n ARG 417 N -3.25 1.03 -2.25 0.00 1.74 0.37 -4.94 116.66 109.35 1h29 n ARG 417 Ca 0.01 0.39 -0.36 0.00 -0.77 0.00 0.00 57.85 57.13 1h29 n ARG 417 Cb 0.51 -2.17 -0.00 0.00 -1.02 0.00 0.00 32.46 29.77 1h29 n ARG 417 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1h29 s PRO 418 N -2.64 3.48 0.74 5.56 0.04 -1.26 -5.02 135.00 135.90 1h29 s PRO 418 Ca 0.73 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 63.32 1h29 s PRO 418 Cb -0.44 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.01 1h29 s PRO 418 CO 0.49 -0.76 1.14 -0.65 0.04 0.00 0.00 177.00 177.26 1h29 s GLN 419 N -3.08 2.22 -0.38 4.56 -1.52 -1.26 -4.92 119.66 115.28 1h29 s GLN 419 Ca 0.70 1.49 -0.29 0.00 -1.95 0.00 0.00 55.36 55.31 1h29 s GLN 419 Cb -0.26 -1.87 0.02 0.00 -0.22 0.00 0.00 33.01 30.68 1h29 s GLN 419 CO 0.30 -1.72 1.19 -2.14 -0.25 0.00 0.00 175.29 172.67 1h29 s PRO 420 N -4.26 3.86 0.06 2.91 0.02 -1.26 -4.98 135.00 131.35 1h29 s PRO 420 Ca 0.68 0.93 -0.31 0.00 0.02 0.00 0.00 61.00 62.33 1h29 s PRO 420 Cb -0.23 -3.86 -0.06 0.00 0.02 0.00 0.00 34.50 30.37 1h29 s PRO 420 CO 0.48 -1.19 1.18 -1.59 -0.33 0.00 0.00 177.00 175.55 1h29 s LYS 421 N 4.19 4.44 0.00 5.54 -2.85 -1.26 -5.04 119.74 124.77 1h29 s LYS 421 Ca 0.51 1.75 0.00 0.00 -1.00 0.00 0.00 55.97 57.23 1h29 s LYS 421 Cb -0.12 -3.35 0.00 0.00 -2.06 0.00 0.00 37.83 32.30 1h29 s LYS 421 CO 0.25 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 175.87 1h29 n GLY 422 N 3.16 -0.16 0.00 0.59 0.00 -1.26 -4.78 105.19 102.74 1h29 n GLY 422 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1h29 n GLY 422 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1h29 n THR 423 N 0.00 0.00 -2.84 2.61 -1.04 -1.26 -4.13 114.28 107.62 1h29 n THR 423 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1h29 n THR 423 Cb 0.00 -0.55 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 1h29 n THR 423 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1h29 s PHE 424 N 2.03 3.48 -0.06 -1.42 0.08 -1.26 -4.85 117.98 115.98 1h29 s PHE 424 Ca 0.00 1.03 -0.39 0.00 0.12 0.00 0.00 56.93 57.69 1h29 s PHE 424 Cb 0.00 -2.43 -0.18 0.00 -0.57 0.00 0.00 43.02 39.84 1h29 s PHE 424 CO 0.00 -0.12 1.37 -3.47 -0.10 0.00 0.00 175.22 172.91 1h29 n ASP 425 N -1.36 1.33 0.26 1.36 -0.08 -1.26 -4.85 116.55 111.94 1h29 n ASP 425 Ca 0.02 1.13 0.15 0.00 -1.51 0.00 0.00 54.79 54.58 1h29 n ASP 425 Cb 0.54 -1.08 0.55 0.00 2.34 0.00 0.00 41.12 43.47 1h29 n ASP 425 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1h29 h LEU 426 N 4.71 0.00 0.00 -2.67 3.38 -1.95 -1.56 115.31 117.22 1h29 h LEU 426 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1h29 h LEU 426 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1h29 h LEU 426 CO 0.80 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.97 1h29 n ASN 427 N -3.15 0.00 -0.17 -0.43 3.02 -1.26 -2.88 115.26 110.40 1h29 n ASN 427 Ca 0.01 -0.29 0.13 0.00 -0.03 0.00 0.00 54.58 54.40 1h29 n ASN 427 Cb 0.37 -0.21 0.39 0.00 -0.61 0.00 0.00 39.78 39.72 1h29 n ASN 427 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1h29 n ASP 428 N -1.21 0.81 -4.73 6.41 9.92 -0.59 -4.88 116.55 122.28 1h29 n ASP 428 Ca 0.14 -0.67 -0.28 0.00 -0.53 0.00 0.00 54.79 53.46 1h29 n ASP 428 Cb 0.17 0.12 -0.07 0.00 -0.64 0.00 0.00 41.12 40.70 1h29 n ASP 428 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1h29 s ILE 429 N -2.62 4.17 0.29 0.53 -4.36 -1.14 -5.03 121.20 113.03 1h29 s ILE 429 Ca 0.22 -1.13 -0.29 0.00 -0.26 0.00 0.00 60.65 59.18 1h29 s ILE 429 Cb 0.19 -3.08 -0.10 0.00 1.25 0.00 0.00 42.46 40.72 1h29 s ILE 429 CO 0.55 -0.04 1.44 -2.16 0.24 0.00 0.00 174.94 174.97 1h29 s PRO 430 N -2.82 4.25 -0.08 0.37 0.04 -1.26 -4.92 135.00 130.57 1h29 s PRO 430 Ca 0.29 2.35 -0.25 0.00 0.04 0.00 0.00 61.00 63.42 1h29 s PRO 430 Cb -0.10 -3.07 -0.26 0.00 0.04 0.00 0.00 34.50 31.10 1h29 s PRO 430 CO 0.21 -0.41 0.90 1.49 0.04 0.00 0.00 177.00 179.23 1h29 h GLU 431 N 4.41 0.14 -6.67 4.56 4.81 -1.94 -3.19 114.58 116.69 1h29 h GLU 431 Ca -0.47 -0.19 -0.67 0.00 -0.13 0.00 0.00 59.36 57.89 1h29 h GLU 431 Cb 1.22 0.07 -0.18 0.00 0.63 0.00 0.00 28.75 30.49 1h29 h GLU 431 CO 0.74 1.02 -0.79 0.15 -0.73 0.00 0.00 179.01 179.40 1h29 s LYS 432 N -2.64 1.80 -0.03 1.92 1.02 -1.26 -1.75 119.74 118.80 1h29 s LYS 432 Ca -0.16 -1.22 0.01 0.00 0.02 0.00 0.00 55.97 54.62 1h29 s LYS 432 Cb -0.01 -2.10 0.02 0.00 -0.52 0.00 0.00 37.83 35.22 1h29 s LYS 432 CO 0.74 0.47 -0.05 0.08 -0.92 0.00 0.00 175.35 175.67 1h29 s VAL 433 N -1.27 0.53 -0.16 3.17 1.01 -0.29 -4.87 120.40 118.52 1h29 s VAL 433 Ca 0.19 -0.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 1h29 s VAL 433 Cb -0.10 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1h29 s VAL 433 CO 0.11 0.21 0.66 -0.69 0.00 0.00 0.00 175.10 175.38 1h29 s VAL 434 N 0.64 5.02 -0.72 2.92 1.01 -1.26 -0.59 120.40 127.42 1h29 s VAL 434 Ca -0.09 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1h29 s VAL 434 Cb -0.12 -3.98 0.18 0.00 0.00 0.00 0.00 36.38 32.46 1h29 s VAL 434 CO 0.00 0.14 0.54 -0.63 0.00 0.00 0.00 175.10 175.16 1h29 s ILE 435 N 1.65 3.62 0.00 2.22 1.01 -0.51 -4.84 121.20 124.35 1h29 s ILE 435 Ca 0.31 -3.60 0.00 0.00 0.00 0.00 0.00 60.65 57.36 1h29 s ILE 435 Cb -0.16 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1h29 s ILE 435 CO 0.12 -0.97 0.31 0.61 0.00 0.00 0.00 174.94 175.01 1h29 n GLY 436 N 2.72 -0.55 0.12 6.18 0.00 -1.26 -2.38 105.19 110.01 1h29 n GLY 436 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1h29 n GLY 436 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h29 n SER 437 N -0.14 -0.07 -0.71 1.61 7.64 -1.26 -1.44 113.62 119.25 1h29 n SER 437 Ca 0.00 0.59 0.06 0.00 1.01 0.00 0.00 58.87 60.52 1h29 n SER 437 Cb 0.05 -0.20 0.15 0.00 -1.01 0.00 0.00 64.21 63.20 1h29 n SER 437 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1h29 n ILE 438 N -4.38 1.58 -1.82 0.44 -5.35 -1.26 -5.06 119.36 103.52 1h29 n ILE 438 Ca 0.07 -2.47 -0.41 0.00 -0.27 0.00 0.00 62.75 59.67 1h29 n ILE 438 Cb 0.24 0.06 -0.01 0.00 -1.74 0.00 0.00 39.64 38.19 1h29 n ILE 438 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1h29 s ALA 439 N -2.34 3.65 0.00 -1.28 0.00 -0.52 -4.82 121.76 116.45 1h29 s ALA 439 Ca 0.34 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1h29 s ALA 439 Cb 0.34 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1h29 s ALA 439 CO -0.07 -0.99 0.00 1.17 0.00 0.00 0.00 175.76 175.86 1h29 n LYS 440 N 1.29 0.00 0.20 0.00 3.00 -1.26 -4.91 118.16 116.47 1h29 n LYS 440 Ca 0.04 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.44 1h29 n LYS 440 Cb 0.39 0.00 0.19 0.00 0.00 0.00 0.00 35.03 35.60 1h29 n LYS 440 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1h29 h GLU 441 N 0.00 0.00 -5.26 1.64 5.08 -2.01 -3.46 114.58 110.57 1h29 h GLU 441 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 1h29 h GLU 441 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1h29 h GLU 441 CO 0.00 0.20 -0.64 0.71 -1.00 0.00 0.00 179.01 178.28 1h29 s TYR 442 N -3.20 1.84 0.74 4.33 1.51 -1.26 -5.10 117.35 116.21 1h29 s TYR 442 Ca 0.05 -0.88 -0.11 0.00 -1.01 0.00 0.00 57.07 55.11 1h29 s TYR 442 Cb 0.07 -1.13 0.03 0.00 -0.11 0.00 0.00 41.96 40.83 1h29 s TYR 442 CO 0.68 0.06 1.10 -0.65 -1.11 0.00 0.00 175.55 175.64 1h29 s GLN 443 N -3.84 2.58 0.41 -0.62 -0.21 -1.18 -4.69 119.66 112.10 1h29 s GLN 443 Ca 0.32 0.51 -0.27 0.00 0.02 0.00 0.00 55.36 55.94 1h29 s GLN 443 Cb 0.07 -1.99 -0.10 0.00 1.00 0.00 0.00 33.01 31.99 1h29 s GLN 443 CO 0.13 -1.24 1.44 -2.14 -2.12 0.00 0.00 175.29 171.36 1h29 s PRO 444 N -5.30 3.94 -0.02 2.91 0.02 -1.26 -4.43 135.00 130.86 1h29 s PRO 444 Ca 0.59 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.78 1h29 s PRO 444 Cb -0.12 -2.84 -0.03 0.00 0.02 0.00 0.00 34.50 31.53 1h29 s PRO 444 CO 0.52 -0.63 1.06 0.45 -0.33 0.00 0.00 177.00 178.08 1h29 s SER 445 N -0.34 7.24 -0.62 2.53 0.15 -1.00 -4.63 113.70 117.02 1h29 s SER 445 Ca 0.56 1.73 -0.21 0.00 0.70 0.00 0.00 55.95 58.73 1h29 s SER 445 Cb -0.45 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.37 1h29 s SER 445 CO 0.59 -0.39 0.86 -1.61 1.20 0.00 0.00 173.24 173.89 1h29 s GLU 446 N 1.41 3.12 -0.27 5.44 2.02 -1.25 -1.42 118.70 127.74 1h29 s GLU 446 Ca 0.53 -0.91 -0.13 0.00 0.02 0.00 0.00 54.97 54.48 1h29 s GLU 446 Cb -0.23 -4.21 -0.04 0.00 0.10 0.00 0.00 34.13 29.75 1h29 s GLU 446 CO 0.25 -1.66 0.30 0.12 0.02 0.00 0.00 175.26 174.30 1h29 s PHE 447 N 3.55 3.24 -1.45 1.61 5.36 0.24 -4.94 117.98 125.58 1h29 s PHE 447 Ca 0.19 0.30 -0.09 0.00 -0.96 0.00 0.00 56.93 56.37 1h29 s PHE 447 Cb -0.19 -2.49 -0.08 0.00 -0.34 0.00 0.00 43.02 39.93 1h29 s PHE 447 CO 0.10 -0.20 2.73 -0.35 -1.46 0.00 0.00 175.22 176.04 1h29 n PRO 448 N 5.20 3.28 0.00 10.12 -0.04 -1.26 -1.14 135.00 151.16 1h29 n PRO 448 Ca -0.11 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 1h29 n PRO 448 Cb 0.51 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1h29 n PRO 448 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1h29 n HIS 449 N 3.91 0.00 -0.20 0.54 -0.00 -0.87 -1.57 115.22 117.03 1h29 n HIS 449 Ca 0.70 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.88 1h29 n HIS 449 Cb 0.22 -0.34 0.10 0.00 -0.12 0.00 0.00 29.99 29.85 1h29 n HIS 449 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1h29 h ARG 450 N 0.00 0.14 -0.64 1.57 2.43 -1.33 -1.90 114.38 114.64 1h29 h ARG 450 Ca 0.00 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1h29 h ARG 450 Cb 0.00 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1h29 h ARG 450 CO 0.00 0.09 0.43 -0.22 -1.51 0.00 0.00 179.97 178.76 1h29 h LYS 451 N 0.14 0.49 0.06 0.20 3.64 -1.68 -1.22 116.57 118.20 1h29 h LYS 451 Ca 0.32 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.41 1h29 h LYS 451 Cb 0.51 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1h29 h LYS 451 CO -0.50 0.32 -1.09 0.82 -2.27 0.00 0.00 179.45 176.73 1h29 h ILE 452 N 0.50 1.39 -0.17 2.00 2.04 -0.49 -2.69 117.51 120.09 1h29 h ILE 452 Ca 0.30 -2.58 -0.02 0.00 1.00 0.00 0.00 64.86 63.55 1h29 h ILE 452 Cb 0.49 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1h29 h ILE 452 CO -0.09 0.77 0.01 0.58 0.00 0.00 0.00 178.15 179.42 1h29 h VAL 453 N 0.21 1.24 -0.54 1.67 2.07 -1.04 0.08 116.25 119.95 1h29 h VAL 453 Ca -0.12 -0.81 0.11 0.00 0.82 0.00 0.00 66.70 66.70 1h29 h VAL 453 Cb 1.76 1.46 -0.10 0.00 -1.52 0.00 0.00 31.29 32.89 1h29 h VAL 453 CO 0.19 0.24 -0.08 0.11 0.02 0.00 0.00 177.57 178.05 1h29 h LYS 454 N 0.04 0.04 -0.30 1.57 1.57 -1.31 0.12 116.57 118.31 1h29 h LYS 454 Ca 0.05 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1h29 h LYS 454 Cb 0.36 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1h29 h LYS 454 CO 0.01 0.03 -0.13 1.15 -0.57 0.00 0.00 179.45 179.93 1h29 h THR 455 N 0.04 1.23 -0.36 -0.16 2.02 -1.10 0.46 112.91 115.04 1h29 h THR 455 Ca 0.27 -1.04 -0.13 0.00 0.77 0.00 0.00 66.41 66.27 1h29 h THR 455 Cb 0.41 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1h29 h THR 455 CO -0.52 0.34 -0.29 -0.07 0.37 0.00 0.00 175.52 175.35 1h29 h LEU 456 N 0.47 0.87 -0.29 2.58 3.38 -0.18 0.12 115.31 122.26 1h29 h LEU 456 Ca 0.09 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1h29 h LEU 456 Cb 0.51 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1h29 h LEU 456 CO 0.03 1.14 0.09 0.40 0.09 0.00 0.00 178.44 180.18 1h29 h ILE 457 N 0.62 1.21 -0.75 1.22 2.04 -0.38 -1.74 117.51 119.73 1h29 h ILE 457 Ca 0.07 -0.67 0.08 0.00 1.00 0.00 0.00 64.86 65.34 1h29 h ILE 457 Cb 0.87 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 1h29 h ILE 457 CO 0.08 0.22 0.41 0.00 0.00 0.00 0.00 178.15 178.86 1h29 h ALA 458 N 0.92 1.04 -0.82 1.87 0.00 0.01 -2.39 119.26 119.89 1h29 h ALA 458 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1h29 h ALA 458 Cb 0.26 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1h29 h ALA 458 CO -0.00 0.04 0.41 0.78 0.00 0.00 0.00 179.25 180.47 1h29 h GLY 459 N 0.70 1.26 2.00 0.00 0.00 -0.44 -0.71 103.07 105.89 1h29 h GLY 459 Ca 0.36 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1h29 h GLY 459 CO -0.24 0.58 -0.09 -2.22 0.00 0.00 0.00 176.54 174.58 1h29 h ILE 460 N 1.16 0.60 0.00 2.60 2.04 -0.82 -3.47 117.51 119.62 1h29 h ILE 460 Ca 0.28 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1h29 h ILE 460 Cb 0.10 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1h29 h ILE 460 CO -0.04 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.81 1h29 n GLY 461 N -0.90 3.10 1.54 5.37 0.00 -0.27 -1.86 105.19 112.17 1h29 n GLY 461 Ca -0.02 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1h29 n GLY 461 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h29 n GLU 462 N 14.00 3.65 -1.65 1.61 -0.58 -1.26 -4.98 120.64 131.43 1h29 n GLU 462 Ca 0.00 -2.87 -0.44 0.00 -0.42 0.00 0.00 57.16 53.43 1h29 n GLU 462 Cb 0.00 -1.86 -0.04 0.00 -0.57 0.00 0.00 31.44 28.97 1h29 n GLU 462 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1h29 n ASP 463 N 1.12 3.79 0.02 1.62 4.64 -0.78 -4.85 116.55 122.11 1h29 n ASP 463 Ca 0.25 0.79 0.14 0.00 -1.38 0.00 0.00 54.79 54.60 1h29 n ASP 463 Cb 0.87 -1.48 0.58 0.00 -1.04 0.00 0.00 41.12 40.04 1h29 n ASP 463 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1h29 n LYS 464 N 7.54 0.04 -0.05 -0.67 4.76 -1.26 -2.32 118.16 126.20 1h29 n LYS 464 Ca 0.23 0.04 -0.16 0.00 -2.87 0.00 0.00 58.31 55.55 1h29 n LYS 464 Cb 0.38 -1.55 -0.13 0.00 -1.84 0.00 0.00 35.03 31.89 1h29 n LYS 464 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1h29 h LEU 465 N 0.00 0.09 0.04 -0.35 5.85 -1.99 -2.43 115.31 116.53 1h29 h LEU 465 Ca 0.00 -0.95 0.02 0.00 0.84 0.00 0.00 57.88 57.79 1h29 h LEU 465 Cb 0.54 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1h29 h LEU 465 CO 0.00 1.13 -0.14 0.00 -0.34 0.00 0.00 178.44 179.09 1h29 h ALA 466 N -0.03 -0.20 -0.91 1.25 0.00 -1.94 -1.53 119.26 115.90 1h29 h ALA 466 Ca -0.06 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.02 1h29 h ALA 466 Cb 1.16 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 19.08 1h29 h ALA 466 CO 0.01 -0.65 0.48 0.00 0.00 0.00 0.00 179.25 179.10 1h29 h ALA 467 N 0.66 1.45 0.16 0.00 0.00 -1.55 0.09 119.26 120.06 1h29 h ALA 467 Ca 0.04 0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 1h29 h ALA 467 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1h29 h ALA 467 CO -0.11 -0.15 -1.69 1.15 0.00 0.00 0.00 179.25 178.45 1h29 h THR 468 N 0.61 0.92 -0.00 0.00 2.02 -1.23 -3.35 112.91 111.88 1h29 h THR 468 Ca 0.53 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 65.25 1h29 h THR 468 Cb 0.85 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.97 1h29 h THR 468 CO -0.41 0.82 -0.34 0.49 0.37 0.00 0.00 175.52 176.44 1h29 n PHE 469 N -3.68 0.00 -1.71 3.16 3.01 -0.60 -4.22 117.46 113.43 1h29 n PHE 469 Ca -0.26 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.79 1h29 n PHE 469 Cb 1.02 -0.31 -0.01 0.00 -0.01 0.00 0.00 39.48 40.18 1h29 n PHE 469 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1h29 n HIS 470 N -1.45 3.17 0.73 1.38 8.25 0.01 -4.82 115.22 122.50 1h29 n HIS 470 Ca 0.06 -2.98 0.08 0.00 -0.26 0.00 0.00 57.72 54.62 1h29 n HIS 470 Cb 0.33 -2.45 0.40 0.00 1.12 0.00 0.00 29.99 29.39 1h29 n HIS 470 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1h29 n ILE 471 N 4.42 0.60 -4.30 1.59 -5.35 -1.26 -4.70 119.36 110.36 1h29 n ILE 471 Ca 0.57 0.15 -0.20 0.00 -0.27 0.00 0.00 62.75 63.00 1h29 n ILE 471 Cb 0.34 -0.88 -0.11 0.00 -1.74 0.00 0.00 39.64 37.26 1h29 n ILE 471 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1h29 s GLU 472 N -2.65 1.18 0.22 6.28 2.02 -1.26 -4.95 118.70 119.53 1h29 s GLU 472 Ca 0.14 -1.35 -0.08 0.00 0.02 0.00 0.00 54.97 53.70 1h29 s GLU 472 Cb 0.11 -1.17 0.25 0.00 0.10 0.00 0.00 34.13 33.42 1h29 s GLU 472 CO 0.26 0.23 1.83 0.87 0.02 0.00 0.00 175.26 178.47 1h29 h LYS 473 N 3.35 0.80 0.00 1.61 6.56 -1.84 -2.60 116.57 124.44 1h29 h LYS 473 Ca -0.41 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1h29 h LYS 473 Cb 1.20 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1h29 h LYS 473 CO 0.51 0.53 0.00 0.41 -2.06 0.00 0.00 179.45 178.84 1h29 n GLY 474 N -1.30 -1.23 0.31 3.86 0.00 -1.26 -3.99 105.19 101.57 1h29 n GLY 474 Ca 0.09 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1h29 n GLY 474 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1h29 h THR 475 N 0.00 0.28 -0.39 2.61 2.02 -1.79 0.40 112.91 116.04 1h29 h THR 475 Ca 0.00 -0.06 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 1h29 h THR 475 Cb 0.37 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1h29 h THR 475 CO 0.00 0.03 -0.20 -0.07 0.37 0.00 0.00 175.52 175.65 1h29 h LEU 476 N 0.16 0.77 -1.02 2.58 3.38 -1.82 -1.74 115.31 117.63 1h29 h LEU 476 Ca 0.54 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.34 1h29 h LEU 476 Cb 1.09 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 1h29 h LEU 476 CO -0.69 0.96 0.64 0.00 0.09 0.00 0.00 178.44 179.44 1h29 h GLN 478 N 1.07 0.00 -0.91 0.00 4.20 -0.32 0.23 115.11 119.38 1h29 h GLN 478 Ca 0.46 0.00 0.26 0.00 0.06 0.00 0.00 58.65 59.44 1h29 h GLN 478 Cb 0.34 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 1h29 h GLN 478 CO -0.22 0.00 0.93 0.78 -0.67 0.00 0.00 178.83 179.65 1h29 h GLY 479 N 0.00 0.00 0.00 3.46 0.00 -0.51 -2.46 103.07 103.56 1h29 h GLY 479 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1h29 h GLY 479 CO -0.00 0.00 -0.65 0.00 0.00 0.00 0.00 176.54 175.89 1h29 n HIS 481 N -2.23 2.66 -1.24 0.00 -0.00 0.70 -4.98 115.22 110.12 1h29 n HIS 481 Ca 0.00 -2.91 -0.29 0.00 -0.00 0.00 0.00 57.72 54.52 1h29 n HIS 481 Cb 0.32 -2.09 0.15 0.00 -0.00 0.00 0.00 29.99 28.37 1h29 n HIS 481 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1h29 s HIS 482 N 0.33 2.28 0.00 4.41 0.00 -0.94 -4.08 115.29 117.29 1h29 s HIS 482 Ca 0.56 1.09 0.00 0.00 -3.00 0.00 0.00 55.06 53.72 1h29 s HIS 482 Cb 0.17 -3.22 0.00 0.00 -4.00 0.00 0.00 32.58 25.52 1h29 s HIS 482 CO -0.07 -2.57 0.00 0.09 -1.00 0.00 0.00 174.74 171.19 1h29 n ASN 483 N -3.97 -3.34 -4.21 7.38 3.02 -1.26 -4.94 115.26 107.94 1h29 n ASN 483 Ca 0.06 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.44 1h29 n ASN 483 Cb 0.57 -2.41 -0.11 0.00 -0.61 0.00 0.00 39.78 37.22 1h29 n ASN 483 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1h29 s SER 484 N -2.09 1.77 0.67 6.41 1.04 -1.26 -5.14 113.70 115.09 1h29 s SER 484 Ca 0.00 -0.79 -0.16 0.00 0.48 0.00 0.00 55.95 55.48 1h29 s SER 484 Cb 0.00 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.09 1h29 s SER 484 CO 0.00 -0.18 1.19 -2.84 0.98 0.00 0.00 173.24 172.39 1h29 s PRO 485 N -2.60 2.52 -0.21 4.02 0.02 -1.26 -4.88 135.00 132.61 1h29 s PRO 485 Ca 0.06 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 62.52 1h29 s PRO 485 Cb -0.05 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1h29 s PRO 485 CO 0.02 -1.53 1.95 0.00 -0.33 0.00 0.00 177.00 177.11 1h29 s ALA 486 N -1.91 3.00 0.01 -1.55 0.00 -1.26 -4.90 121.76 115.15 1h29 s ALA 486 Ca 0.74 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 53.35 1h29 s ALA 486 Cb -0.28 -3.98 -0.01 0.00 0.00 0.00 0.00 23.12 18.85 1h29 s ALA 486 CO 0.41 -2.40 -0.00 0.45 0.00 0.00 0.00 175.76 174.21 1h29 s SER 487 N 6.32 0.16 0.48 0.00 0.15 -1.26 -4.67 113.70 114.87 1h29 s SER 487 Ca 0.87 -0.34 0.31 0.00 0.70 0.00 0.00 55.95 57.49 1h29 s SER 487 Cb -0.30 0.09 1.19 0.00 -1.71 0.00 0.00 66.02 65.29 1h29 s SER 487 CO 0.34 -0.23 1.89 0.25 1.20 0.00 0.00 173.24 176.69 1h29 h LEU 488 N 4.98 0.00 -6.95 3.45 5.85 -1.98 -3.34 115.31 117.32 1h29 h LEU 488 Ca -0.30 0.00 -0.62 0.00 0.84 0.00 0.00 57.88 57.81 1h29 h LEU 488 Cb 1.21 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.82 1h29 h LEU 488 CO 0.43 0.00 -0.63 0.35 -0.34 0.00 0.00 178.44 178.26 1h29 n THR 489 N -2.91 1.30 -2.55 1.05 -2.24 -1.26 -4.94 114.28 102.74 1h29 n THR 489 Ca 0.01 -4.70 -0.35 0.00 -2.27 0.00 0.00 64.05 56.74 1h29 n THR 489 Cb 0.32 -2.12 -0.04 0.00 -2.10 0.00 0.00 70.33 66.39 1h29 n THR 489 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1h29 s PRO 490 N -1.33 3.98 0.86 -0.78 0.04 -1.26 -5.02 135.00 131.50 1h29 s PRO 490 Ca 0.27 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 1h29 s PRO 490 Cb -0.02 -2.30 0.11 0.00 0.04 0.00 0.00 34.50 32.32 1h29 s PRO 490 CO -0.17 -0.29 1.09 -1.25 0.04 0.00 0.00 177.00 176.43 1h29 s PRO 491 N -2.89 1.55 0.64 0.56 0.04 -1.26 -5.00 135.00 128.64 1h29 s PRO 491 Ca 0.63 1.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.54 1h29 s PRO 491 Cb -0.19 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1h29 s PRO 491 CO 0.23 -2.10 1.17 0.15 0.04 0.00 0.00 177.00 176.49 1h29 s LYS 492 N -4.87 2.73 0.29 4.56 1.02 -1.26 -4.92 119.74 117.28 1h29 s LYS 492 Ca 0.63 1.66 -0.00 0.00 0.02 0.00 0.00 55.97 58.27 1h29 s LYS 492 Cb -0.18 -1.92 0.50 0.00 -0.52 0.00 0.00 37.83 35.71 1h29 s LYS 492 CO 0.57 -1.35 1.88 0.00 -0.92 0.00 0.00 175.35 175.53 1h29 n ALA 494 N -2.38 1.35 0.31 0.00 0.00 -1.26 -1.74 120.51 116.79 1h29 n ALA 494 Ca 0.16 0.15 0.15 0.00 0.00 0.00 0.00 53.44 53.89 1h29 n ALA 494 Cb 0.23 -1.36 0.67 0.00 0.00 0.00 0.00 19.45 18.99 1h29 n ALA 494 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h29 h SER 495 N 0.00 0.00 0.00 0.00 4.64 -1.82 -3.26 113.55 113.12 1h29 h SER 495 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h29 h SER 495 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1h29 h SER 495 CO 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 175.75 1h29 s HIS 497 N -0.73 2.63 -0.91 0.00 3.76 -0.75 -4.77 115.29 114.53 1h29 s HIS 497 Ca 0.00 -0.25 -0.01 0.00 -0.15 0.00 0.00 55.06 54.65 1h29 s HIS 497 Cb 0.00 -1.62 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 1h29 s HIS 497 CO 0.00 0.11 0.77 0.41 -0.85 0.00 0.00 174.74 175.18 1h29 n GLY 498 N 2.42 -0.26 1.58 -2.22 0.00 -1.26 -4.45 105.19 101.00 1h29 n GLY 498 Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1h29 n GLY 498 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h29 n LYS 499 N -3.33 0.00 -2.16 1.61 0.00 -1.26 -4.75 118.16 108.26 1h29 n LYS 499 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.09 1h29 n LYS 499 Cb 0.63 -0.21 -0.02 0.00 0.00 0.00 0.00 35.03 35.43 1h29 n LYS 499 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1h29 n ARG 505 N -2.79 -2.40 -3.53 1.64 1.74 -1.26 -5.21 116.66 104.86 1h29 n ARG 505 Ca 0.00 2.05 -0.35 0.00 -0.77 0.00 0.00 57.85 58.78 1h29 n ARG 505 Cb 0.19 -3.45 -0.06 0.00 -1.02 0.00 0.00 32.46 28.12 1h29 n ARG 505 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h29 n GLY 506 N 0.73 4.35 0.00 -0.13 0.00 -1.26 -4.56 105.19 104.33 1h29 n GLY 506 Ca -0.14 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.25 1h29 n GLY 506 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h29 n ASP 507 N 1.96 0.00 -4.79 1.61 3.85 -1.26 -5.00 116.55 112.92 1h29 n ASP 507 Ca 0.24 0.00 -0.39 0.00 -0.71 0.00 0.00 54.79 53.92 1h29 n ASP 507 Cb 0.37 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.08 1h29 n ASP 507 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1h29 s ARG 508 N -0.86 4.43 0.81 0.11 3.00 -1.26 -5.09 118.95 120.09 1h29 s ARG 508 Ca 0.00 1.00 -0.10 0.00 0.00 0.00 0.00 55.73 56.63 1h29 s ARG 508 Cb 0.00 -3.25 0.08 0.00 0.00 0.00 0.00 34.95 31.77 1h29 s ARG 508 CO 0.00 0.59 1.10 -1.25 0.00 0.00 0.00 175.30 175.75 1h29 s PRO 509 N -1.12 1.96 1.35 3.54 0.04 -1.26 -4.97 135.00 134.54 1h29 s PRO 509 Ca 0.33 1.24 -0.19 0.00 0.04 0.00 0.00 61.00 62.42 1h29 s PRO 509 Cb -0.22 -1.86 0.34 0.00 0.04 0.00 0.00 34.50 32.81 1h29 s PRO 509 CO 0.24 -1.88 0.90 0.41 0.04 0.00 0.00 177.00 176.70 1h29 n GLY 510 N -0.90 -3.13 0.17 0.56 0.00 -1.26 -4.14 105.19 96.49 1h29 n GLY 510 Ca 0.10 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 1h29 n GLY 510 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1h29 h LEU 511 N -3.24 0.47 -0.40 0.99 5.85 -1.86 -1.40 115.31 115.71 1h29 h LEU 511 Ca -0.50 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 57.90 1h29 h LEU 511 Cb 1.33 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1h29 h LEU 511 CO 0.35 0.57 -0.12 0.50 -0.34 0.00 0.00 178.44 179.40 1h29 h LYS 512 N 0.34 0.80 0.00 1.25 3.11 -1.96 -1.51 116.57 118.60 1h29 h LYS 512 Ca 0.10 -0.32 -0.02 0.00 -2.81 0.00 0.00 60.65 57.61 1h29 h LYS 512 Cb 0.28 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.47 1h29 h LYS 512 CO 0.00 0.94 -0.07 0.00 -2.81 0.00 0.00 179.45 177.51 1h29 h ALA 513 N 0.84 1.82 0.00 5.00 0.00 -1.90 -1.50 119.26 123.52 1h29 h ALA 513 Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h29 h ALA 513 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1h29 h ALA 513 CO 0.05 0.09 -0.00 0.00 0.00 0.00 0.00 179.25 179.38 1h29 h ALA 514 N 1.93 -0.00 -0.40 0.00 0.00 -0.46 -0.45 119.26 119.87 1h29 h ALA 514 Ca -0.00 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1h29 h ALA 514 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1h29 h ALA 514 CO 0.01 -0.19 0.19 1.88 0.00 0.00 0.00 179.25 181.14 1h29 h TYR 515 N -0.62 0.35 -0.51 0.00 0.99 -1.21 0.20 116.97 116.17 1h29 h TYR 515 Ca -0.00 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.67 1h29 h TYR 515 Cb 0.62 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 38.23 1h29 h TYR 515 CO 0.14 0.18 0.04 0.45 -0.00 0.00 0.00 178.16 178.97 1h29 h HIS 516 N 0.39 0.95 -0.20 4.88 3.86 -1.20 0.13 115.15 123.96 1h29 h HIS 516 Ca 0.17 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1h29 h HIS 516 Cb 0.09 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1h29 h HIS 516 CO -0.11 0.87 0.06 0.37 0.86 0.00 0.00 177.93 179.99 1h29 h GLN 517 N 0.75 0.31 0.02 2.45 4.15 -0.81 -1.27 115.11 120.71 1h29 h GLN 517 Ca 0.15 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1h29 h GLN 517 Cb 0.47 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1h29 h GLN 517 CO 0.02 0.41 -0.01 0.37 -1.93 0.00 0.00 178.83 177.69 1h29 h GLN 518 N 0.15 -0.03 0.88 1.69 4.15 -0.70 -0.78 115.11 120.47 1h29 h GLN 518 Ca 0.06 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 1h29 h GLN 518 Cb 0.23 0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.93 1h29 h GLN 518 CO -0.00 0.29 -0.44 0.00 -1.93 0.00 0.00 178.83 176.75 1h29 h MET 520 N -1.20 0.80 0.01 0.00 2.86 -1.35 -1.99 114.93 114.06 1h29 h MET 520 Ca -0.12 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1h29 h MET 520 Cb 0.93 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1h29 h MET 520 CO 0.19 0.74 -0.00 0.78 1.06 0.00 0.00 176.91 179.67 1h29 h GLY 521 N 0.96 -0.01 0.99 8.32 0.00 -1.13 -0.37 103.07 111.83 1h29 h GLY 521 Ca 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 1h29 h GLY 521 CO 0.00 -0.00 0.31 0.00 0.00 0.00 0.00 176.54 176.85 1h29 h HIS 523 N 0.83 0.37 -0.24 0.00 3.86 -1.11 -0.83 115.15 118.02 1h29 h HIS 523 Ca 0.21 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.26 1h29 h HIS 523 Cb 0.08 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1h29 h HIS 523 CO -0.00 0.27 -0.46 -0.44 0.86 0.00 0.00 177.93 178.15 1h29 h ASP 524 N 0.39 0.83 0.98 2.45 3.32 -0.61 -0.37 116.42 123.41 1h29 h ASP 524 Ca 0.10 -0.54 -0.12 0.00 0.02 0.00 0.00 57.03 56.49 1h29 h ASP 524 Cb 0.02 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1h29 h ASP 524 CO -0.02 1.22 -0.59 0.03 -1.72 0.00 0.00 179.24 178.15 1h29 h ARG 525 N 0.48 0.00 0.00 3.56 3.08 -0.86 -3.07 114.38 117.57 1h29 h ARG 525 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1h29 h ARG 525 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1h29 h ARG 525 CO 0.10 0.59 -0.71 -1.33 -1.07 0.00 0.00 179.97 177.56 1h29 n MET 526 N -3.48 0.15 -2.75 0.04 2.81 -0.36 -4.50 117.12 109.03 1h29 n MET 526 Ca 0.00 0.02 -0.08 0.00 -1.81 0.00 0.00 57.70 55.83 1h29 n MET 526 Cb 0.68 -1.57 0.03 0.00 -0.71 0.00 0.00 33.22 31.65 1h29 n MET 526 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1h29 n LYS 527 N -1.77 -2.85 -3.32 0.03 5.02 -0.74 -4.89 118.16 109.64 1h29 n LYS 527 Ca 0.04 0.33 -0.40 0.00 -2.02 0.00 0.00 58.31 56.25 1h29 n LYS 527 Cb 0.39 -3.81 -0.09 0.00 -0.02 0.00 0.00 35.03 31.50 1h29 n LYS 527 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1h29 s ILE 528 N -3.13 5.10 -0.99 -0.18 -1.09 -0.22 -4.91 121.20 115.78 1h29 s ILE 528 Ca 0.12 0.38 0.26 0.00 -2.23 0.00 0.00 60.65 59.18 1h29 s ILE 528 Cb -0.05 -3.84 0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1h29 s ILE 528 CO 0.28 -0.05 1.51 -0.62 -1.23 0.00 0.00 174.94 174.83 1h29 n GLU 529 N 5.52 0.01 0.00 2.79 1.02 -1.26 -4.73 120.64 123.98 1h29 n GLU 529 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1h29 n GLU 529 Cb 0.50 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1h29 n GLU 529 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1h29 n LYS 530 N -1.52 0.00 -3.38 3.49 4.76 -1.26 -3.05 118.16 117.20 1h29 n LYS 530 Ca 0.06 0.11 -0.39 0.00 -2.87 0.00 0.00 58.31 55.22 1h29 n LYS 530 Cb 0.34 -0.34 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 1h29 n LYS 530 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1h29 s PRO 531 N -0.47 4.10 0.49 1.97 0.05 -1.26 -5.08 135.00 134.80 1h29 s PRO 531 Ca 0.00 0.14 -0.22 0.00 0.05 0.00 0.00 61.00 60.97 1h29 s PRO 531 Cb 0.00 -3.59 -0.07 0.00 0.05 0.00 0.00 34.50 30.89 1h29 s PRO 531 CO 0.00 -0.15 1.19 0.00 0.05 0.00 0.00 177.00 178.09 1h29 s ALA 532 N 1.68 2.90 0.57 8.56 0.00 -1.17 -4.91 121.76 129.40 1h29 s ALA 532 Ca 0.17 0.99 0.27 0.00 0.00 0.00 0.00 51.96 53.39 1h29 s ALA 532 Cb -0.15 -3.41 1.68 0.00 0.00 0.00 0.00 23.12 21.24 1h29 s ALA 532 CO 0.09 -0.80 2.21 -0.91 0.00 0.00 0.00 175.76 176.34 1h29 h ASN 533 N 1.82 0.00 1.03 0.00 2.35 -1.93 -0.57 115.58 118.29 1h29 h ASN 533 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1h29 h ASN 533 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1h29 h ASN 533 CO 0.59 0.00 -0.07 0.35 -1.65 0.00 0.00 177.43 176.65 1h29 n THR 534 N -3.99 0.11 -3.18 2.81 -2.24 -1.26 -4.64 114.28 101.89 1h29 n THR 534 Ca -0.02 -0.06 -0.45 0.00 -2.27 0.00 0.00 64.05 61.25 1h29 n THR 534 Cb 0.13 -0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 67.93 1h29 n THR 534 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h29 s ALA 535 N -3.02 4.26 0.11 6.98 0.00 -0.22 -4.89 121.76 124.99 1h29 s ALA 535 Ca 0.13 -3.50 -0.23 0.00 0.00 0.00 0.00 51.96 48.36 1h29 s ALA 535 Cb 0.18 -3.77 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 1h29 s ALA 535 CO 0.56 -2.46 1.68 0.00 0.00 0.00 0.00 175.76 175.54 1h29 h VAL 537 N -0.21 0.67 0.00 0.00 2.07 -1.90 -2.78 116.25 114.10 1h29 h VAL 537 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1h29 h VAL 537 Cb 0.28 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1h29 h VAL 537 CO -0.14 0.00 0.00 0.47 0.02 0.00 0.00 177.57 177.92 1h29 n ASP 538 N -4.12 0.00 -0.01 0.57 9.92 -0.57 -3.27 116.55 119.07 1h29 n ASP 538 Ca 0.02 0.48 -0.01 0.00 -0.53 0.00 0.00 54.79 54.75 1h29 n ASP 538 Cb 0.30 -0.49 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 1h29 n ASP 538 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h29 s HIS 540 N -2.09 -0.66 -2.57 0.00 0.00 -1.12 -3.95 115.29 104.89 1h29 s HIS 540 Ca -0.02 1.34 0.27 0.00 -3.00 0.00 0.00 55.06 53.66 1h29 s HIS 540 Cb 0.01 0.24 0.93 0.00 -4.00 0.00 0.00 32.58 29.76 1h29 s HIS 540 CO 0.13 -0.40 1.67 0.36 -1.00 0.00 0.00 174.74 175.51