#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 -2.05 3.79 -1.23 0.00 -0.70 -4.66 105.19 100.33 1h29 n GLY 39 Ca 0.00 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.89 3.60 0.09 1.61 2.02 -1.26 -4.31 118.70 118.57 1h29 s GLU 40 Ca 0.00 1.44 -0.27 0.00 0.02 0.00 0.00 54.97 56.17 1h29 s GLU 40 Cb 0.00 -2.06 -0.06 0.00 0.10 0.00 0.00 34.13 32.11 1h29 s GLU 40 CO 0.00 -0.61 0.84 0.15 0.02 0.00 0.00 175.26 175.66 1h29 s LYS 41 N -3.30 4.59 0.15 1.61 1.02 -1.26 -2.38 119.74 120.17 1h29 s LYS 41 Ca 0.69 1.22 0.07 0.00 0.02 0.00 0.00 55.97 57.98 1h29 s LYS 41 Cb -0.19 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1h29 s LYS 41 CO 0.24 0.32 -0.15 1.03 -0.92 0.00 0.00 175.35 175.86 1h29 s ARG 42 N -0.27 1.17 -0.05 1.68 0.52 -0.41 -4.69 118.95 116.90 1h29 s ARG 42 Ca 0.41 -1.37 0.15 0.00 -0.52 0.00 0.00 55.73 54.39 1h29 s ARG 42 Cb -0.22 -1.07 0.48 0.00 0.52 0.00 0.00 34.95 34.66 1h29 s ARG 42 CO 0.26 0.20 1.40 0.00 0.02 0.00 0.00 175.30 177.18 1h29 n ALA 43 N 0.24 2.53 -1.57 2.13 0.00 -1.26 0.71 120.51 123.28 1h29 n ALA 43 Ca -0.13 -1.46 0.06 0.00 0.00 0.00 0.00 53.44 51.91 1h29 n ALA 43 Cb 0.58 -0.66 0.12 0.00 0.00 0.00 0.00 19.45 19.49 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 0.61 1.58 -4.70 0.00 3.85 -1.26 -4.39 116.55 112.25 1h29 n ASP 44 Ca 0.18 -3.01 -0.42 0.00 -0.71 0.00 0.00 54.79 50.83 1h29 n ASP 44 Cb 0.63 -0.40 -0.03 0.00 -1.35 0.00 0.00 41.12 39.97 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 -2.13 4.34 -0.12 -2.12 1.43 -1.26 -1.71 118.68 117.10 1h29 s LEU 45 Ca 0.29 1.93 0.03 0.00 -1.03 0.00 0.00 54.13 55.34 1h29 s LEU 45 Cb 0.27 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1h29 s LEU 45 CO -0.03 -0.51 -0.21 -0.63 0.23 0.00 0.00 176.35 175.20 1h29 s ILE 46 N 1.53 2.24 -0.38 -0.59 1.01 0.01 -4.98 121.20 120.04 1h29 s ILE 46 Ca 0.57 -0.94 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 1h29 s ILE 46 Cb -0.27 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1h29 s ILE 46 CO 0.26 0.55 0.40 -0.70 0.00 0.00 0.00 174.94 175.45 1h29 s GLU 47 N 0.57 3.33 -0.47 2.79 2.12 -1.26 -0.45 118.70 125.33 1h29 s GLU 47 Ca -0.12 -0.59 -0.23 0.00 0.36 0.00 0.00 54.97 54.39 1h29 s GLU 47 Cb -0.17 -3.89 0.03 0.00 0.26 0.00 0.00 34.13 30.37 1h29 s GLU 47 CO 0.04 -0.68 0.80 0.42 -0.54 0.00 0.00 175.26 175.29 1h29 s ILE 48 N 2.07 4.62 -0.18 -3.70 1.01 0.81 -4.80 121.20 121.03 1h29 s ILE 48 Ca 0.12 0.32 0.20 0.00 0.00 0.00 0.00 60.65 61.29 1h29 s ILE 48 Cb -0.17 -4.36 0.42 0.00 0.01 0.00 0.00 42.46 38.36 1h29 s ILE 48 CO 0.12 -0.80 1.19 0.61 0.00 0.00 0.00 174.94 176.07 1h29 n GLY 49 N 5.03 1.50 0.34 6.18 0.00 -1.26 -1.37 105.19 115.60 1h29 n GLY 49 Ca 0.01 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 1.64 2.12 -0.00 4.61 0.00 -2.01 -2.02 119.26 123.60 1h29 h ALA 50 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1h29 h ALA 50 Cb 1.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1h29 h ALA 50 CO 0.04 -0.22 -0.05 -1.33 0.00 0.00 0.00 179.25 177.70 1h29 n MET 51 N -4.46 0.52 0.05 0.00 2.81 -1.26 -3.01 117.12 111.76 1h29 n MET 51 Ca 0.06 -0.08 -0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1h29 n MET 51 Cb 0.35 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.66 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 0.19 0.40 -1.08 0.03 4.81 -1.54 -2.08 114.58 115.31 1h29 h GLU 52 Ca 0.00 -0.10 0.30 0.00 -0.13 0.00 0.00 59.36 59.42 1h29 h GLU 52 Cb 0.31 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.53 1h29 h GLU 52 CO 0.00 0.52 0.68 -0.09 -0.73 0.00 0.00 179.01 179.39 1h29 h ARG 53 N 0.38 0.35 0.00 1.92 2.43 -1.71 -2.88 114.38 114.87 1h29 h ARG 53 Ca 0.07 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 59.00 1h29 h ARG 53 Cb 0.44 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1h29 h ARG 53 CO 0.02 0.23 -1.96 1.19 -1.51 0.00 0.00 179.97 177.95 1h29 n PHE 54 N -4.73 0.37 0.00 2.20 3.01 -0.81 -5.06 117.46 112.45 1h29 n PHE 54 Ca 0.28 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.87 1h29 n PHE 54 Cb 0.96 -0.93 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 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 1.52 1.52 3.61 1.37 0.00 -1.02 -5.03 105.19 107.17 1h29 n GLY 55 Ca -0.18 -0.94 -0.48 0.00 0.00 0.00 0.00 46.02 44.41 1h29 n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h29 n LYS 56 N -0.59 1.50 -2.64 1.61 4.76 -1.26 -4.27 118.16 117.26 1h29 n LYS 56 Ca 0.00 0.54 -0.41 0.00 -2.87 0.00 0.00 58.31 55.56 1h29 n LYS 56 Cb 0.00 -2.14 -0.04 0.00 -1.84 0.00 0.00 35.03 31.01 1h29 n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1h29 s LEU 57 N 0.53 4.44 0.16 -0.35 1.43 -1.26 -4.95 118.68 118.67 1h29 s LEU 57 Ca 0.76 1.84 -0.08 0.00 -1.03 0.00 0.00 54.13 55.62 1h29 s LEU 57 Cb -0.81 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 41.84 1h29 s LEU 57 CO 0.48 -0.22 1.48 0.44 0.23 0.00 0.00 176.35 178.76 1h29 h ASP 58 N 6.06 0.86 -2.11 2.29 3.45 -2.01 -3.46 116.42 121.50 1h29 h ASP 58 Ca -0.42 -0.43 -0.61 0.00 0.43 0.00 0.00 57.03 55.99 1h29 h ASP 58 Cb 1.21 -0.25 -0.14 0.00 -0.56 0.00 0.00 39.33 39.60 1h29 h ASP 58 CO 0.74 1.20 -0.73 -0.76 -1.57 0.00 0.00 179.24 178.12 1h29 s LEU 59 N -8.66 2.65 0.74 1.55 1.43 -1.26 -5.12 118.68 110.01 1h29 s LEU 59 Ca -0.10 -1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 51.75 1h29 s LEU 59 Cb 0.11 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.29 1h29 s LEU 59 CO 0.87 -0.06 0.94 -2.65 0.23 0.00 0.00 176.35 175.68 1h29 n PRO 60 N -0.69 0.41 -0.73 1.29 -0.02 -1.26 -4.99 135.00 129.02 1h29 n PRO 60 Ca -0.05 0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 1h29 n PRO 60 Cb 0.61 -2.20 0.16 0.00 -0.02 0.00 0.00 33.50 32.05 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 -3.40 1.07 -0.31 -0.52 1.02 -1.26 -4.70 119.74 111.64 1h29 s LYS 61 Ca 0.72 1.55 -0.06 0.00 0.02 0.00 0.00 55.97 58.20 1h29 s LYS 61 Cb -0.33 -1.73 0.03 0.00 -0.52 0.00 0.00 37.83 35.27 1h29 s LYS 61 CO 0.52 -2.59 0.07 0.08 -0.92 0.00 0.00 175.35 172.50 1h29 s VAL 62 N -2.64 3.68 0.20 3.17 1.01 -0.47 -4.14 120.40 121.20 1h29 s VAL 62 Ca 0.67 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1h29 s VAL 62 Cb -0.23 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.07 1h29 s VAL 62 CO 0.58 -0.04 1.34 0.00 0.00 0.00 0.00 175.10 176.98 1h29 s ALA 63 N 1.42 3.55 -0.03 5.51 0.00 -1.25 -0.13 121.76 130.82 1h29 s ALA 63 Ca -0.00 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.09 1h29 s ALA 63 Cb -0.18 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.47 1h29 s ALA 63 CO 0.02 -0.58 0.06 0.12 0.00 0.00 0.00 175.76 175.38 1h29 s PHE 64 N 0.23 -0.01 -0.42 0.00 5.36 0.40 -4.95 117.98 118.58 1h29 s PHE 64 Ca 0.58 0.21 -0.16 0.00 -0.96 0.00 0.00 56.93 56.61 1h29 s PHE 64 Cb -0.37 -0.21 0.03 0.00 -0.34 0.00 0.00 43.02 42.13 1h29 s PHE 64 CO 0.38 -0.11 0.35 1.03 -1.46 0.00 0.00 175.22 175.41 1h29 s ARG 65 N 1.11 3.00 0.08 10.12 0.52 -1.26 -0.81 118.95 131.71 1h29 s ARG 65 Ca -0.09 -1.00 -0.18 0.00 -0.52 0.00 0.00 55.73 53.94 1h29 s ARG 65 Cb -0.13 -4.00 -0.09 0.00 0.52 0.00 0.00 34.95 31.25 1h29 s ARG 65 CO -0.04 -0.83 1.45 1.25 0.02 0.00 0.00 175.30 177.16 1h29 h HIS 66 N 8.68 0.59 -0.58 -0.53 2.76 -1.71 -1.91 115.15 122.45 1h29 h HIS 66 Ca -0.27 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 57.72 1h29 h HIS 66 Cb 1.12 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 1h29 h HIS 66 CO 0.58 0.77 0.23 -0.44 -1.30 0.00 0.00 177.93 177.77 1h29 h ASP 67 N 0.25 0.80 -0.83 3.26 3.32 -1.94 0.13 116.42 121.41 1h29 h ASP 67 Ca 0.06 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.01 1h29 h ASP 67 Cb 0.61 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 1h29 h ASP 67 CO 0.03 0.75 0.54 -0.61 -1.72 0.00 0.00 179.24 178.24 1h29 h GLN 68 N 0.79 0.85 0.03 3.56 4.15 -1.88 -2.15 115.11 120.46 1h29 h GLN 68 Ca 0.19 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.46 1h29 h GLN 68 Cb 0.21 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 27.71 1h29 h GLN 68 CO -0.02 0.56 -0.42 0.45 -1.93 0.00 0.00 178.83 177.48 1h29 h HIS 69 N 0.88 0.36 -0.86 3.99 3.86 -0.61 -2.88 115.15 119.90 1h29 h HIS 69 Ca 0.37 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1h29 h HIS 69 Cb 0.29 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.69 1h29 h HIS 69 CO -0.00 1.07 0.44 1.79 0.86 0.00 0.00 177.93 182.10 1h29 h THR 70 N -0.45 1.26 -0.50 2.45 1.35 -0.62 0.02 112.91 116.42 1h29 h THR 70 Ca -0.06 -0.67 -0.02 0.00 -0.55 0.00 0.00 66.41 65.11 1h29 h THR 70 Cb 1.21 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.74 1h29 h THR 70 CO 0.08 0.30 0.24 0.71 -0.25 0.00 0.00 175.52 176.60 1h29 h THR 71 N 1.20 1.19 -0.62 6.82 1.35 -1.50 0.13 112.91 121.49 1h29 h THR 71 Ca 0.30 -0.53 0.01 0.00 -0.55 0.00 0.00 66.41 65.63 1h29 h THR 71 Cb 0.07 0.62 -0.03 0.00 -1.73 0.00 0.00 68.15 67.08 1h29 h THR 71 CO -0.04 0.21 0.41 0.00 -0.25 0.00 0.00 175.52 175.85 1h29 h ALA 72 N 1.08 0.78 -0.21 6.62 0.00 -1.21 -1.41 119.26 124.92 1h29 h ALA 72 Ca 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1h29 h ALA 72 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1h29 h ALA 72 CO -0.02 0.21 -0.03 0.28 0.00 0.00 0.00 179.25 179.69 1h29 h VAL 73 N 0.84 1.27 -0.43 0.00 2.07 -0.77 -1.78 116.25 117.44 1h29 h VAL 73 Ca 0.23 -0.96 0.09 0.00 0.82 0.00 0.00 66.70 66.87 1h29 h VAL 73 Cb -0.09 1.49 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 1h29 h VAL 73 CO -0.05 0.29 -0.27 0.74 0.02 0.00 0.00 177.57 178.30 1h29 h THR 74 N 0.12 0.30 -0.29 2.57 2.02 -0.67 -0.23 112.91 116.72 1h29 h THR 74 Ca 0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.30 1h29 h THR 74 Cb 0.45 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1h29 h THR 74 CO 0.02 0.00 0.20 1.23 0.37 0.00 0.00 175.52 177.34 1h29 h GLY 75 N -0.19 0.14 -1.08 2.16 0.00 -0.85 -0.50 103.07 102.76 1h29 h GLY 75 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1h29 h GLY 75 CO -0.53 0.04 0.00 1.15 0.00 0.00 0.00 176.54 177.19 1h29 n MET 76 N -4.47 1.71 -0.58 4.80 0.00 -0.69 -4.86 117.12 113.03 1h29 n MET 76 Ca 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 57.70 56.81 1h29 n MET 76 Cb 0.29 -1.29 0.00 0.00 0.00 0.00 0.00 33.22 32.21 1h29 n MET 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1h29 n GLY 77 N 0.78 0.69 3.20 3.17 0.00 -0.20 -5.06 105.19 107.77 1h29 n GLY 77 Ca 0.09 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.58 0.82 -2.84 1.61 5.02 -0.18 -5.00 118.16 115.00 1h29 n LYS 78 Ca 0.00 -2.92 -0.08 0.00 -2.02 0.00 0.00 58.31 53.29 1h29 n LYS 78 Cb 0.00 0.36 -0.03 0.00 -0.02 0.00 0.00 35.03 35.34 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 -1.81 -0.33 0.00 4.39 3.85 -1.26 -3.64 116.55 117.75 1h29 n ASP 79 Ca -0.03 -1.86 0.11 0.00 -0.71 0.00 0.00 54.79 52.30 1h29 n ASP 79 Cb 0.53 0.73 0.53 0.00 -1.35 0.00 0.00 41.12 41.56 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 2.92 1.00 -0.36 0.00 0.00 -1.97 -0.61 119.26 120.24 1h29 h ALA 81 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1h29 h ALA 81 Cb 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1h29 h ALA 81 CO 0.00 0.00 0.25 0.00 0.00 0.00 0.00 179.25 179.50 1h29 h ALA 82 N 2.00 2.10 0.00 0.00 0.00 -1.90 -3.30 119.26 118.16 1h29 h ALA 82 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h29 h ALA 82 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1h29 h ALA 82 CO 0.00 -0.18 -0.46 0.00 0.00 0.00 0.00 179.25 178.62 1h29 s HIS 84 N -1.12 2.57 0.62 0.00 3.76 -0.27 0.27 115.29 121.12 1h29 s HIS 84 Ca 0.00 -1.34 -0.03 0.00 -0.15 0.00 0.00 55.06 53.54 1h29 s HIS 84 Cb 0.00 -1.77 0.04 0.00 1.11 0.00 0.00 32.58 31.96 1h29 s HIS 84 CO 0.00 -0.63 0.89 0.15 -0.85 0.00 0.00 174.74 174.29 1h29 s LYS 85 N 0.95 2.47 0.11 1.40 1.02 -1.26 -4.23 119.74 120.20 1h29 s LYS 85 Ca -0.04 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 55.54 1h29 s LYS 85 Cb -0.15 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1h29 s LYS 85 CO -0.04 -0.91 -0.12 -1.12 -0.92 0.00 0.00 175.35 172.24 1h29 s SER 86 N -4.44 1.71 0.00 2.83 0.01 -1.26 -1.92 113.70 110.62 1h29 s SER 86 Ca 0.58 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1h29 s SER 86 Cb -0.11 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1h29 s SER 86 CO 0.42 -0.23 0.00 1.17 0.41 0.00 0.00 173.24 175.01 1h29 n LYS 87 N 0.42 0.00 -2.29 12.44 3.00 -0.87 -4.88 118.16 125.98 1h29 n LYS 87 Ca -0.15 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.83 1h29 n LYS 87 Cb 0.58 -0.12 0.02 0.00 0.00 0.00 0.00 35.03 35.50 1h29 n LYS 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1h29 n ASP 88 N -2.48 6.00 0.00 3.14 8.00 -1.26 -4.79 116.55 125.16 1h29 n ASP 88 Ca 0.00 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.73 1h29 n ASP 88 Cb 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 1h29 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h29 n GLY 89 N -0.47 2.46 3.74 0.44 0.00 -1.26 -4.97 105.19 105.13 1h29 n GLY 89 Ca 0.45 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 1h29 n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h29 s LYS 90 N 0.00 4.70 0.29 1.61 2.20 -1.26 -5.07 119.74 122.21 1h29 s LYS 90 Ca 0.00 1.41 -0.18 0.00 -0.36 0.00 0.00 55.97 56.85 1h29 s LYS 90 Cb 0.00 -3.36 -0.09 0.00 -1.51 0.00 0.00 37.83 32.88 1h29 s LYS 90 CO 0.00 0.28 0.75 1.41 -0.36 0.00 0.00 175.35 177.43 1h29 s MET 91 N -0.24 4.13 -0.06 4.03 -2.45 -1.26 -2.06 119.30 121.39 1h29 s MET 91 Ca 0.45 0.80 -0.12 0.00 -1.25 0.00 0.00 55.69 55.56 1h29 s MET 91 Cb -0.24 -2.61 -0.05 0.00 1.25 0.00 0.00 34.83 33.19 1h29 s MET 91 CO 0.29 0.24 0.30 0.45 1.05 0.00 0.00 175.02 177.36 1h29 s SER 92 N -2.00 6.62 0.00 1.11 0.15 -0.81 -4.97 113.70 113.80 1h29 s SER 92 Ca 0.50 0.73 0.28 0.00 0.70 0.00 0.00 55.95 58.16 1h29 s SER 92 Cb -0.13 -2.18 1.21 0.00 -1.71 0.00 0.00 66.02 63.21 1h29 s SER 92 CO 0.19 0.32 1.90 0.18 1.20 0.00 0.00 173.24 177.02 1h29 n LEU 93 N 2.14 0.00 -4.84 3.45 4.77 -1.26 -4.60 117.00 116.65 1h29 n LEU 93 Ca -0.16 0.48 -0.31 0.00 -0.03 0.00 0.00 56.01 55.99 1h29 n LEU 93 Cb 0.53 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1h29 n LEU 93 CO 0.36 -0.02 0.71 -0.54 -1.33 0.00 0.00 177.39 176.56 1h29 s LYS 94 N -2.95 3.46 -0.37 3.23 1.02 -1.26 -5.02 119.74 117.85 1h29 s LYS 94 Ca 0.15 0.89 -0.24 0.00 0.02 0.00 0.00 55.97 56.79 1h29 s LYS 94 Cb 0.18 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1h29 s LYS 94 CO 0.50 -0.68 0.81 0.12 -0.92 0.00 0.00 175.35 175.17 1h29 s PHE 95 N -2.96 3.11 -1.69 3.18 5.36 -1.26 -4.52 117.98 119.19 1h29 s PHE 95 Ca 0.57 0.59 -0.01 0.00 -0.96 0.00 0.00 56.93 57.12 1h29 s PHE 95 Cb -0.12 -3.45 0.00 0.00 -0.34 0.00 0.00 43.02 39.12 1h29 s PHE 95 CO 0.48 -0.75 0.15 -1.33 -1.46 0.00 0.00 175.22 172.31 1h29 n MET 96 N 6.48 -2.52 -3.53 10.12 2.81 0.14 -4.90 117.12 125.72 1h29 n MET 96 Ca 0.04 0.96 -0.08 0.00 -1.81 0.00 0.00 57.70 56.81 1h29 n MET 96 Cb 0.48 -5.67 -0.02 0.00 -0.71 0.00 0.00 33.22 27.30 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 -5.22 0.95 -0.13 0.03 1.70 -1.26 -4.93 118.95 110.08 1h29 s ARG 97 Ca 0.08 -0.38 0.09 0.00 -0.47 0.00 0.00 55.73 55.05 1h29 s ARG 97 Cb -0.04 0.41 -0.15 0.00 -0.57 0.00 0.00 34.95 34.61 1h29 s ARG 97 CO 0.10 -0.42 0.01 1.28 -1.08 0.00 0.00 175.30 175.19 1h29 n LEU 98 N -0.30 0.60 -4.29 -1.89 4.77 -1.26 -4.65 117.00 109.99 1h29 n LEU 98 Ca -0.09 -0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.66 1h29 n LEU 98 Cb 0.62 0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.73 1h29 n LEU 98 CO 0.11 0.41 -0.47 -1.81 -1.33 0.00 0.00 177.39 174.30 1h29 s ASP 99 N -4.76 2.38 -0.66 -1.43 -0.00 -1.26 -5.01 116.67 105.92 1h29 s ASP 99 Ca -0.09 -0.81 -0.26 0.00 -0.00 0.00 0.00 52.55 51.39 1h29 s ASP 99 Cb 0.04 -0.12 0.04 0.00 -0.00 0.00 0.00 42.92 42.88 1h29 s ASP 99 CO 0.49 -0.07 1.13 -1.81 -0.00 0.00 0.00 175.17 174.91 1h29 s ASP 100 N -2.46 6.25 -0.18 0.27 1.11 -1.26 -4.90 116.67 115.48 1h29 s ASP 100 Ca 0.11 -0.46 -0.13 0.00 0.18 0.00 0.00 52.55 52.25 1h29 s ASP 100 Cb -0.06 -2.50 -0.21 0.00 1.07 0.00 0.00 42.92 41.21 1h29 s ASP 100 CO 0.05 -1.57 0.20 0.59 1.18 0.00 0.00 175.17 175.61 1h29 n ASN 101 N 8.48 1.99 -3.67 0.27 3.02 -1.26 -5.03 115.26 119.05 1h29 n ASN 101 Ca 0.02 0.29 -0.10 0.00 -0.03 0.00 0.00 54.58 54.76 1h29 n ASN 101 Cb 0.48 -0.88 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 1h29 n ASN 101 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1h29 s SER 102 N -6.97 -0.32 0.16 6.41 1.04 -1.26 -5.02 113.70 107.74 1h29 s SER 102 Ca -0.28 -0.38 -0.17 0.00 0.48 0.00 0.00 55.95 55.61 1h29 s SER 102 Cb 0.07 0.58 0.07 0.00 0.10 0.00 0.00 66.02 66.85 1h29 s SER 102 CO 0.66 -1.04 1.70 0.00 0.98 0.00 0.00 173.24 175.54 1h29 h ALA 103 N 2.16 0.31 -0.74 5.32 0.00 -1.96 -2.44 119.26 121.92 1h29 h ALA 103 Ca -0.30 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1h29 h ALA 103 Cb 1.27 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1h29 h ALA 103 CO 0.37 -0.40 0.22 0.00 0.00 0.00 0.00 179.25 179.44 1h29 h ALA 104 N 1.30 0.99 -0.17 0.00 0.00 -1.99 -1.77 119.26 117.62 1h29 h ALA 104 Ca 0.17 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1h29 h ALA 104 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1h29 h ALA 104 CO -0.29 0.67 -0.44 1.49 0.00 0.00 0.00 179.25 180.69 1h29 h GLU 105 N 1.10 0.41 -0.39 0.00 4.81 -1.94 -1.98 114.58 116.59 1h29 h GLU 105 Ca 0.24 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1h29 h GLU 105 Cb 0.32 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1h29 h GLU 105 CO -0.01 0.77 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.96 1h29 h LEU 106 N 0.33 0.68 -0.87 1.64 3.38 -1.13 -0.33 115.31 119.01 1h29 h LEU 106 Ca 0.03 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1h29 h LEU 106 Cb 0.90 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1h29 h LEU 106 CO 0.08 0.83 0.56 0.50 0.09 0.00 0.00 178.44 180.50 1h29 h LYS 107 N 0.51 1.05 -0.08 1.13 3.64 -1.16 -1.30 116.57 120.37 1h29 h LYS 107 Ca 0.11 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1h29 h LYS 107 Cb 0.49 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1h29 h LYS 107 CO 0.02 0.70 -0.03 1.49 -2.27 0.00 0.00 179.45 179.36 1h29 h GLU 108 N 1.08 0.16 -0.59 1.90 4.57 -1.14 -0.87 114.58 119.69 1h29 h GLU 108 Ca 0.35 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.54 1h29 h GLU 108 Cb 0.02 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.54 1h29 h GLU 108 CO -0.12 0.50 0.25 0.82 -1.18 0.00 0.00 179.01 179.28 1h29 h ILE 109 N -0.19 0.84 -0.04 2.32 2.04 -0.82 -0.77 117.51 120.89 1h29 h ILE 109 Ca 0.02 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1h29 h ILE 109 Cb 0.44 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1h29 h ILE 109 CO 0.01 0.09 -0.03 1.88 0.00 0.00 0.00 178.15 180.10 1h29 h TYR 110 N 0.47 0.10 -0.22 1.37 -1.99 -1.17 -1.96 116.97 113.57 1h29 h TYR 110 Ca 0.29 -0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.95 1h29 h TYR 110 Cb 0.29 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 1h29 h TYR 110 CO -0.14 0.51 -0.00 0.45 -0.00 0.00 0.00 178.16 178.98 1h29 h HIS 111 N -0.34 0.42 -0.46 4.88 3.86 -1.02 0.17 115.15 122.65 1h29 h HIS 111 Ca 0.01 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1h29 h HIS 111 Cb 0.49 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1h29 h HIS 111 CO 0.08 0.57 0.28 0.00 0.86 0.00 0.00 177.93 179.72 1h29 h ALA 112 N 0.79 0.59 0.11 2.45 0.00 -1.21 -2.42 119.26 119.57 1h29 h ALA 112 Ca 0.06 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1h29 h ALA 112 Cb 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1h29 h ALA 112 CO 0.01 0.08 -1.93 -0.91 0.00 0.00 0.00 179.25 176.51 1h29 h ASN 113 N 0.62 0.36 0.21 0.00 2.35 -1.27 -2.08 115.58 115.77 1h29 h ASN 113 Ca 0.17 -0.78 -0.01 0.00 -0.55 0.00 0.00 56.30 55.12 1h29 h ASN 113 Cb -0.00 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1h29 h ASN 113 CO -0.03 1.70 -0.10 0.00 -1.65 0.00 0.00 177.43 177.35 1h29 h ILE 115 N -0.43 1.52 -0.60 0.00 2.04 -1.56 -3.08 117.51 115.40 1h29 h ILE 115 Ca -0.03 -2.83 0.06 0.00 1.00 0.00 0.00 64.86 63.06 1h29 h ILE 115 Cb 0.33 2.64 -0.08 0.00 -0.74 0.00 0.00 36.82 38.97 1h29 h ILE 115 CO 0.05 0.82 -0.47 1.23 0.00 0.00 0.00 178.15 179.79 1h29 h GLY 116 N 1.88 -1.20 1.02 5.37 0.00 -1.40 0.37 103.07 109.12 1h29 h GLY 116 Ca -0.07 0.82 -0.02 0.00 0.00 0.00 0.00 47.33 48.06 1h29 h GLY 116 CO 0.15 -0.20 0.44 0.00 0.00 0.00 0.00 176.54 176.94 1h29 h HIS 118 N 1.17 0.71 -0.37 0.00 -0.00 -1.24 -1.04 115.15 114.37 1h29 h HIS 118 Ca 0.29 -0.07 0.04 0.00 -0.00 0.00 0.00 60.37 60.63 1h29 h HIS 118 Cb 0.06 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.23 1h29 h HIS 118 CO 0.01 0.64 0.15 1.15 -0.00 0.00 0.00 177.93 179.88 1h29 h THR 119 N 0.58 0.93 -0.33 2.45 2.02 -0.18 -1.25 112.91 117.13 1h29 h THR 119 Ca 0.14 -0.11 -0.18 0.00 0.77 0.00 0.00 66.41 67.04 1h29 h THR 119 Cb 0.26 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1h29 h THR 119 CO -0.00 0.06 -0.48 0.44 0.37 0.00 0.00 175.52 175.90 1h29 h ASP 120 N 0.32 0.99 -0.43 4.18 3.45 -1.06 0.18 116.42 124.05 1h29 h ASP 120 Ca 0.16 -0.50 0.00 0.00 0.43 0.00 0.00 57.03 57.13 1h29 h ASP 120 Cb 0.11 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 1h29 h ASP 120 CO -0.15 1.30 0.28 -0.07 -1.57 0.00 0.00 179.24 179.03 1h29 h LEU 121 N 0.71 0.50 -1.01 1.55 3.38 -1.21 -2.36 115.31 116.88 1h29 h LEU 121 Ca 0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1h29 h LEU 121 Cb 1.09 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1h29 h LEU 121 CO 0.11 0.38 0.39 0.00 0.09 0.00 0.00 178.44 179.41 1h29 h ALA 122 N 1.14 1.23 0.00 1.53 0.00 -0.88 0.11 119.26 122.39 1h29 h ALA 122 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1h29 h ALA 122 Cb -0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1h29 h ALA 122 CO -0.03 0.60 -0.05 -0.22 0.00 0.00 0.00 179.25 179.55 1h29 h LYS 123 N 1.09 0.00 -0.09 0.00 3.64 -0.50 -2.37 116.57 118.34 1h29 h LYS 123 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1h29 h LYS 123 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1h29 h LYS 123 CO -0.04 0.05 0.00 0.00 -2.27 0.00 0.00 179.45 177.19 1h29 n ALA 124 N -2.52 2.53 -2.35 5.00 0.00 -0.61 -4.94 120.51 117.62 1h29 n ALA 124 Ca -0.03 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 1h29 n ALA 124 Cb 0.13 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.23 -0.10 3.94 0.00 0.00 -0.89 -5.05 105.19 104.32 1h29 n GLY 125 Ca 0.17 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.76 3.45 0.22 1.61 3.01 0.29 -5.01 119.74 118.56 1h29 s LYS 126 Ca 0.05 -0.56 -0.31 0.00 -1.01 0.00 0.00 55.97 54.14 1h29 s LYS 126 Cb -0.02 -2.95 -0.11 0.00 -1.01 0.00 0.00 37.83 33.73 1h29 s LYS 126 CO 0.06 0.51 1.65 -1.59 0.51 0.00 0.00 175.35 176.48 1h29 s LYS 127 N -3.21 4.15 0.34 1.68 -2.85 -1.26 -4.22 119.74 114.37 1h29 s LYS 127 Ca 0.35 2.54 0.03 0.00 -1.00 0.00 0.00 55.97 57.89 1h29 s LYS 127 Cb -0.11 -3.08 -0.02 0.00 -2.06 0.00 0.00 37.83 32.57 1h29 s LYS 127 CO 0.29 -0.68 0.37 -0.08 0.10 0.00 0.00 175.35 175.35 1h29 s THR 128 N 0.81 0.00 0.09 3.79 -1.32 -1.26 -4.90 115.64 112.84 1h29 s THR 128 Ca 0.70 -1.83 0.01 0.00 -1.21 0.00 0.00 61.69 59.37 1h29 s THR 128 Cb -0.48 -2.58 0.01 0.00 -1.51 0.00 0.00 72.50 67.95 1h29 s THR 128 CO 0.37 0.00 0.10 0.61 -2.21 0.00 0.00 174.62 173.48 1h29 n GLY 129 N -0.61 2.35 3.52 6.08 0.00 -1.26 -5.07 105.19 110.20 1h29 n GLY 129 Ca 0.05 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 1h29 n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h29 n PRO 130 N -1.00 0.87 -2.80 1.61 -0.02 -1.26 -4.85 135.00 127.54 1h29 n PRO 130 Ca 0.01 0.32 -0.20 0.00 -2.02 0.00 0.00 63.50 61.61 1h29 n PRO 130 Cb 0.09 -1.74 0.05 0.00 -0.02 0.00 0.00 33.50 31.88 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 -1.82 2.40 0.00 -0.52 -1.52 -1.26 -4.75 119.66 112.19 1h29 s GLN 131 Ca 0.64 -1.13 0.00 0.00 -1.95 0.00 0.00 55.36 52.92 1h29 s GLN 131 Cb -0.58 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 29.66 1h29 s GLN 131 CO 0.57 -0.77 0.00 -0.25 -0.25 0.00 0.00 175.29 174.58 1h29 n ASP 132 N -2.29 0.00 -0.76 5.90 8.00 -1.26 -2.03 116.55 124.11 1h29 n ASP 132 Ca 0.11 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.73 1h29 n ASP 132 Cb 0.60 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 42.02 1h29 n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h29 n GLY 133 N -0.73 0.68 2.54 0.44 0.00 -1.26 -4.51 105.19 102.35 1h29 n GLY 133 Ca 0.00 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 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 0.78 3.63 -0.12 1.61 1.02 -0.86 -4.80 120.64 121.89 1h29 n GLU 134 Ca 0.17 -3.15 -0.06 0.00 -0.02 0.00 0.00 57.16 54.10 1h29 n GLU 134 Cb 0.46 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 1h29 n GLU 134 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h29 h ARG 136 N -0.17 0.00 0.00 0.00 2.43 -1.87 -1.07 114.38 113.70 1h29 h ARG 136 Ca 0.19 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1h29 h ARG 136 Cb 0.48 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1h29 h ARG 136 CO -0.51 0.03 -0.24 0.77 -1.51 0.00 0.00 179.97 178.50 1h29 h SER 137 N 0.00 0.00 0.01 -3.80 0.02 -1.25 -2.71 113.55 105.81 1h29 h SER 137 Ca -0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.54 1h29 h SER 137 Cb 0.08 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1h29 h SER 137 CO 0.00 0.24 -2.28 0.00 -1.14 0.00 0.00 176.83 173.66 1h29 n HIS 139 N -4.03 3.09 -3.50 0.00 8.25 -0.43 -3.88 115.22 114.73 1h29 n HIS 139 Ca -0.48 -2.97 -0.42 0.00 -0.26 0.00 0.00 57.72 53.59 1h29 n HIS 139 Cb 0.88 -2.41 -0.09 0.00 1.12 0.00 0.00 29.99 29.50 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 2.40 5.88 0.00 0.41 3.84 -1.03 -4.48 114.94 121.96 1h29 s ASN 140 Ca 0.52 -1.47 0.16 0.00 0.21 0.00 0.00 52.86 52.29 1h29 s ASN 140 Cb 0.15 -2.08 0.96 0.00 -0.55 0.00 0.00 41.25 39.72 1h29 s ASN 140 CO -0.07 -0.61 1.39 -0.81 -2.79 0.00 0.00 177.10 174.21 1h29 n PRO 141 N 5.05 0.48 -2.75 0.43 -0.04 -1.26 -3.75 135.00 133.16 1h29 n PRO 141 Ca -0.11 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.27 1h29 n PRO 141 Cb 0.43 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1h29 n PRO 141 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1h29 n LYS 142 N -1.03 0.93 -1.13 0.54 5.02 -1.26 -5.13 118.16 116.10 1h29 n LYS 142 Ca 0.12 -1.90 -0.31 0.00 -2.02 0.00 0.00 58.31 54.20 1h29 n LYS 142 Cb 0.06 -1.19 0.12 0.00 -0.02 0.00 0.00 35.03 34.00 1h29 n LYS 142 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1h29 s PRO 143 N 0.36 1.81 0.14 1.97 0.04 -1.25 -4.98 135.00 133.09 1h29 s PRO 143 Ca 0.26 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 1h29 s PRO 143 Cb 0.27 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.92 1h29 s PRO 143 CO -0.12 -1.96 1.38 1.03 0.04 0.00 0.00 177.00 177.37 1h29 h SER 144 N -1.36 0.76 -3.30 6.66 0.87 -1.96 -3.46 113.55 111.75 1h29 h SER 144 Ca -0.45 -0.48 -0.58 0.00 -1.23 0.00 0.00 61.79 59.06 1h29 h SER 144 Cb 1.25 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.92 1h29 h SER 144 CO 0.50 1.25 -0.10 0.00 -0.53 0.00 0.00 176.83 177.95 1h29 s ALA 145 N -3.78 3.48 0.82 6.23 0.00 -1.26 -1.73 121.76 125.52 1h29 s ALA 145 Ca -0.08 -0.12 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 1h29 s ALA 145 Cb 0.10 -2.67 0.13 0.00 0.00 0.00 0.00 23.12 20.68 1h29 s ALA 145 CO 0.87 0.06 1.15 0.00 0.00 0.00 0.00 175.76 177.84 1h29 s ALA 146 N 0.34 2.87 -0.13 0.00 0.00 -1.00 -4.92 121.76 118.92 1h29 s ALA 146 Ca 0.28 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1h29 s ALA 146 Cb -0.16 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 1h29 s ALA 146 CO 0.13 -1.82 -0.05 0.45 0.00 0.00 0.00 175.76 174.46 1h29 s SER 147 N -4.72 4.71 0.00 0.00 0.15 -1.26 -1.28 113.70 111.29 1h29 s SER 147 Ca 0.67 -0.11 0.14 0.00 0.70 0.00 0.00 55.95 57.35 1h29 s SER 147 Cb -0.07 -1.63 0.27 0.00 -1.71 0.00 0.00 66.02 62.88 1h29 s SER 147 CO 0.48 0.22 1.17 -1.54 1.20 0.00 0.00 173.24 174.77 1h29 n SER 148 N 3.20 2.76 -4.65 5.45 3.41 0.22 -4.73 113.62 119.29 1h29 n SER 148 Ca -0.18 -1.82 -0.56 0.00 -0.26 0.00 0.00 58.87 56.05 1h29 n SER 148 Cb 0.53 -0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.82 1.72 -4.32 7.33 -0.00 -1.23 -4.41 117.44 117.36 1h29 n TRP 149 Ca 0.12 0.66 -0.21 0.00 -0.00 0.00 0.00 57.50 58.07 1h29 n TRP 149 Cb 0.43 -2.37 -0.13 0.00 -0.00 0.00 0.00 31.31 29.24 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 2.07 0.99 0.77 5.87 2.20 -0.18 -5.04 119.74 126.42 1h29 s LYS 150 Ca 0.93 -0.91 -0.11 0.00 -0.36 0.00 0.00 55.97 55.52 1h29 s LYS 150 Cb -1.07 -1.06 0.06 0.00 -1.51 0.00 0.00 37.83 34.25 1h29 s LYS 150 CO 0.59 0.25 1.09 -1.83 -0.36 0.00 0.00 175.35 175.09 1h29 s GLU 151 N -1.47 2.26 -0.03 4.03 -1.05 -1.26 -4.54 118.70 116.64 1h29 s GLU 151 Ca 0.02 1.08 0.02 0.00 -0.15 0.00 0.00 54.97 55.95 1h29 s GLU 151 Cb -0.09 -1.90 0.01 0.00 -0.44 0.00 0.00 34.13 31.70 1h29 s GLU 151 CO 0.02 -1.62 -0.09 -1.50 0.95 0.00 0.00 175.26 173.02 1h29 s ILE 152 N -2.94 0.81 0.18 1.83 2.07 -1.26 -4.97 121.20 116.92 1h29 s ILE 152 Ca 0.61 -0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 1h29 s ILE 152 Cb -0.17 -0.73 -0.05 0.00 0.13 0.00 0.00 42.46 41.65 1h29 s ILE 152 CO 0.56 0.26 0.02 -0.83 -1.91 0.00 0.00 174.94 173.04 1h29 s GLY 153 N 0.31 1.27 0.03 1.50 0.00 -1.26 -5.13 107.32 104.04 1h29 s GLY 153 Ca -0.05 -1.62 -0.28 0.00 0.00 0.00 0.00 44.72 42.77 1h29 s GLY 153 CO 0.01 -1.52 0.89 -1.36 0.00 0.00 0.00 173.10 171.12 1h29 s PHE 154 N -3.73 3.70 0.80 1.90 0.40 -1.26 -5.00 117.98 114.79 1h29 s PHE 154 Ca 0.26 1.61 -0.09 0.00 -0.60 0.00 0.00 56.93 58.11 1h29 s PHE 154 Cb 0.06 -2.99 0.11 0.00 0.51 0.00 0.00 43.02 40.71 1h29 s PHE 154 CO 0.05 0.12 1.13 0.34 0.70 0.00 0.00 175.22 177.56 1h29 s ASP 155 N 0.50 4.21 0.20 1.36 3.68 -1.26 -4.85 116.67 120.50 1h29 s ASP 155 Ca 0.46 0.33 -0.19 0.00 2.13 0.00 0.00 52.55 55.27 1h29 s ASP 155 Cb -0.21 -0.74 0.17 0.00 -1.45 0.00 0.00 42.92 40.69 1h29 s ASP 155 CO 0.26 -2.01 1.58 0.50 0.13 0.00 0.00 175.17 175.62 1h29 h LYS 156 N -0.96 -0.10 0.99 4.34 3.64 -1.36 -1.82 116.57 121.30 1h29 h LYS 156 Ca -0.43 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.90 1h29 h LYS 156 Cb 1.29 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1h29 h LYS 156 CO 0.52 -0.07 -0.48 1.03 -2.27 0.00 0.00 179.45 178.18 1h29 h SER 157 N -0.10 -1.13 -0.48 4.20 0.87 -1.85 -1.88 113.55 113.17 1h29 h SER 157 Ca 0.28 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.97 1h29 h SER 157 Cb 0.57 0.29 -0.08 0.00 -0.44 0.00 0.00 62.40 62.74 1h29 h SER 157 CO -0.78 -0.80 -0.00 0.25 -0.53 0.00 0.00 176.83 174.96 1h29 h LEU 158 N -1.34 -0.21 -0.86 2.23 6.46 -1.87 -0.60 115.31 119.12 1h29 h LEU 158 Ca -0.14 0.12 0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1h29 h LEU 158 Cb 1.02 0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 41.10 1h29 h LEU 158 CO 0.22 -0.07 0.53 -0.74 -0.62 0.00 0.00 178.44 177.77 1h29 h HIS 159 N 0.11 0.99 -0.25 1.25 2.76 -1.37 -1.95 115.15 116.68 1h29 h HIS 159 Ca 0.24 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 1h29 h HIS 159 Cb 0.36 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1h29 h HIS 159 CO -0.31 0.50 -0.19 -0.92 -1.30 0.00 0.00 177.93 175.71 1h29 h TYR 160 N 0.97 0.48 0.00 5.26 5.03 -0.33 -1.60 116.97 126.79 1h29 h TYR 160 Ca 0.38 -0.09 -0.05 0.00 2.58 0.00 0.00 58.73 61.55 1h29 h TYR 160 Cb 0.18 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1h29 h TYR 160 CO -0.03 0.61 -0.23 0.00 -1.32 0.00 0.00 178.16 177.19 1h29 h ARG 161 N 0.40 0.00 0.06 1.82 3.08 -0.39 0.04 114.38 119.40 1h29 h ARG 161 Ca 0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 1h29 h ARG 161 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.63 1h29 h ARG 161 CO 0.04 0.23 -0.42 0.45 -1.07 0.00 0.00 179.97 179.19 1h29 h HIS 162 N 0.00 0.32 -0.77 3.04 3.86 -1.18 -2.72 115.15 117.71 1h29 h HIS 162 Ca -0.00 -0.21 0.14 0.00 -1.16 0.00 0.00 60.37 59.13 1h29 h HIS 162 Cb 0.47 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.82 1h29 h HIS 162 CO 0.00 1.12 0.33 0.28 0.86 0.00 0.00 177.93 180.52 1h29 h VAL 163 N -0.57 0.69 -0.05 2.45 2.07 -1.04 -1.54 116.25 118.27 1h29 h VAL 163 Ca -0.07 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1h29 h VAL 163 Cb 1.28 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1h29 h VAL 163 CO 0.08 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1h29 n ALA 164 N -2.48 2.59 -2.24 1.67 0.00 -0.02 -4.88 120.51 115.16 1h29 n ALA 164 Ca 0.14 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1h29 n ALA 164 Cb 0.40 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.79 7.01 0.00 0.00 0.15 -0.58 -4.90 113.70 113.59 1h29 s SER 165 Ca 0.37 2.17 0.27 0.00 0.70 0.00 0.00 55.95 59.45 1h29 s SER 165 Cb 0.18 -2.59 1.43 0.00 -1.71 0.00 0.00 66.02 63.33 1h29 s SER 165 CO 0.30 -0.49 1.93 0.29 1.20 0.00 0.00 173.24 176.47 1h29 n LYS 166 N 3.46 0.51 0.02 5.44 5.02 -1.26 -3.43 118.16 127.92 1h29 n LYS 166 Ca 0.08 0.03 -0.01 0.00 -2.02 0.00 0.00 58.31 56.39 1h29 n LYS 166 Cb 0.45 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.87 1h29 n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h29 n ALA 167 N -1.21 1.89 -2.66 7.82 0.00 -1.26 -4.67 120.51 120.41 1h29 n ALA 167 Ca 0.15 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 1h29 n ALA 167 Cb 0.18 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 1h29 n ALA 167 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1h29 s ILE 168 N -2.89 4.36 0.39 0.00 1.01 -1.22 -5.02 121.20 117.83 1h29 s ILE 168 Ca -0.03 0.28 -0.24 0.00 0.00 0.00 0.00 60.65 60.66 1h29 s ILE 168 Cb 0.09 -4.56 -0.09 0.00 0.01 0.00 0.00 42.46 37.90 1h29 s ILE 168 CO 0.81 -1.15 1.01 -0.54 0.00 0.00 0.00 174.94 175.07 1h29 s LYS 169 N 4.02 4.24 0.32 2.79 1.02 -1.26 -4.87 119.74 125.99 1h29 s LYS 169 Ca 0.31 1.41 -0.28 0.00 0.02 0.00 0.00 55.97 57.43 1h29 s LYS 169 Cb -0.12 -2.52 -0.13 0.00 -0.52 0.00 0.00 37.83 34.53 1h29 s LYS 169 CO 0.19 -0.05 1.18 -0.35 -0.92 0.00 0.00 175.35 175.39 1h29 n PRO 170 N -0.06 1.80 -5.15 -1.68 -0.04 -1.26 -4.69 135.00 123.91 1h29 n PRO 170 Ca 0.05 0.63 -0.31 0.00 -0.04 0.00 0.00 63.50 63.83 1h29 n PRO 170 Cb 0.50 -2.13 -0.17 0.00 -0.04 0.00 0.00 33.50 31.67 1h29 n PRO 170 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1h29 s VAL 171 N -1.04 1.92 -1.56 0.52 1.01 -0.79 -4.80 120.40 115.66 1h29 s VAL 171 Ca 0.57 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1h29 s VAL 171 Cb -0.63 -1.65 0.09 0.00 0.00 0.00 0.00 36.38 34.19 1h29 s VAL 171 CO 0.61 0.53 0.24 0.61 0.00 0.00 0.00 175.10 177.09 1h29 n GLY 172 N 3.28 -0.22 0.00 4.51 0.00 -1.26 -4.61 105.19 106.89 1h29 n GLY 172 Ca -0.19 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1h29 n GLY 172 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h29 n ASP 173 N -2.46 0.00 0.20 1.61 -0.08 -1.26 -5.04 116.55 109.52 1h29 n ASP 173 Ca -0.13 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.20 1h29 n ASP 173 Cb 0.55 0.00 0.41 0.00 2.34 0.00 0.00 41.12 44.42 1h29 n ASP 173 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1h29 h PRO 174 N 0.00 0.00 0.00 -0.67 0.11 -1.96 -3.40 132.00 126.08 1h29 h PRO 174 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1h29 h PRO 174 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1h29 h PRO 174 CO 0.00 0.33 -0.75 0.94 -0.21 0.00 0.00 178.00 178.31 1h29 n GLN 175 N -3.95 0.21 -2.96 1.05 7.27 -1.26 -4.93 117.38 112.81 1h29 n GLN 175 Ca -0.02 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.66 1h29 n GLN 175 Cb 0.39 -0.88 -0.06 0.00 2.41 0.00 0.00 30.24 32.11 1h29 n GLN 175 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1h29 s LYS 176 N -1.75 4.57 0.00 3.69 1.02 -1.26 -4.72 119.74 121.29 1h29 s LYS 176 Ca 0.00 1.17 0.07 0.00 0.02 0.00 0.00 55.97 57.23 1h29 s LYS 176 Cb 0.00 -3.28 0.19 0.00 -0.52 0.00 0.00 37.83 34.22 1h29 s LYS 176 CO 0.00 0.51 1.14 0.27 -0.92 0.00 0.00 175.35 176.34 1h29 n ASN 177 N 1.84 2.54 -0.28 2.83 0.23 -1.26 -1.89 115.26 119.27 1h29 n ASN 177 Ca -0.05 -1.95 0.30 0.00 -0.53 0.00 0.00 54.58 52.36 1h29 n ASN 177 Cb 0.49 -0.14 0.67 0.00 -2.08 0.00 0.00 39.78 38.72 1h29 n ASN 177 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1h29 h GLY 179 N 0.11 0.00 2.00 0.00 0.00 -1.81 -0.78 103.07 102.59 1h29 h GLY 179 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1h29 h GLY 179 CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.45 1h29 h ALA 180 N 1.95 1.00 0.00 3.60 0.00 -1.38 -3.37 119.26 121.06 1h29 h ALA 180 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h29 h ALA 180 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1h29 h ALA 180 CO 0.01 0.00 -0.65 0.00 0.00 0.00 0.00 179.25 178.61 1h29 s HIS 182 N -1.65 3.64 0.04 0.00 3.76 -0.32 -5.08 115.29 115.68 1h29 s HIS 182 Ca 0.00 0.77 -0.20 0.00 -0.15 0.00 0.00 55.06 55.48 1h29 s HIS 182 Cb 0.00 -2.13 0.04 0.00 1.11 0.00 0.00 32.58 31.60 1h29 s HIS 182 CO 0.00 0.62 0.47 -3.38 -0.85 0.00 0.00 174.74 171.60 1h29 s HIS 183 N -1.20 -0.35 0.19 1.40 -3.43 -1.26 -4.35 115.29 106.29 1h29 s HIS 183 Ca 0.26 0.37 0.09 0.00 -0.80 0.00 0.00 55.06 54.98 1h29 s HIS 183 Cb -0.14 0.27 -0.04 0.00 -1.43 0.00 0.00 32.58 31.24 1h29 s HIS 183 CO 0.14 -0.60 -0.19 0.14 -2.00 0.00 0.00 174.74 172.23 1h29 s VAL 184 N -2.36 1.96 -0.17 -5.38 -7.23 -0.60 -4.84 120.40 101.77 1h29 s VAL 184 Ca -0.06 -2.03 -0.24 0.00 -1.81 0.00 0.00 61.98 57.84 1h29 s VAL 184 Cb -0.01 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1h29 s VAL 184 CO -0.01 -0.34 0.79 -0.47 -0.31 0.00 0.00 175.10 174.75 1h29 s TYR 185 N -2.18 3.41 -0.77 2.82 5.04 -1.26 -1.77 117.35 122.64 1h29 s TYR 185 Ca 0.19 1.18 -0.20 0.00 -2.44 0.00 0.00 57.07 55.81 1h29 s TYR 185 Cb -0.05 -2.96 0.11 0.00 0.35 0.00 0.00 41.96 39.41 1h29 s TYR 185 CO 0.08 -0.22 0.96 0.34 -1.34 0.00 0.00 175.55 175.37 1h29 s ASP 186 N 1.16 6.40 0.60 4.32 2.15 -0.01 -4.93 116.67 126.36 1h29 s ASP 186 Ca 0.36 -1.63 0.28 0.00 0.43 0.00 0.00 52.55 51.99 1h29 s ASP 186 Cb -0.16 -2.37 1.38 0.00 -0.30 0.00 0.00 42.92 41.46 1h29 s ASP 186 CO 0.12 -1.16 1.78 -0.33 -0.17 0.00 0.00 175.17 175.41 1h29 h GLU 187 N 9.07 0.00 -0.02 4.34 5.08 -1.95 -1.68 114.58 129.42 1h29 h GLU 187 Ca -0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1h29 h GLU 187 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1h29 h GLU 187 CO 1.11 0.00 -0.09 0.00 -1.00 0.00 0.00 179.01 179.03 1h29 h ALA 188 N 1.27 0.03 -0.18 3.43 0.00 -1.93 -3.29 119.26 118.59 1h29 h ALA 188 Ca 0.25 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1h29 h ALA 188 Cb 1.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1h29 h ALA 188 CO -0.00 -0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.05 1h29 n SER 189 N -4.67 2.47 -4.13 0.00 3.41 -0.99 -4.96 113.62 104.75 1h29 n SER 189 Ca -0.09 -1.82 -0.29 0.00 -0.26 0.00 0.00 58.87 56.41 1h29 n SER 189 Cb 0.38 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.87 -2.25 -4.11 4.33 5.02 -0.67 -4.98 118.16 116.38 1h29 n LYS 190 Ca 0.17 0.27 -0.10 0.00 -2.02 0.00 0.00 58.31 56.63 1h29 n LYS 190 Cb 0.48 -4.17 -0.09 0.00 -0.02 0.00 0.00 35.03 31.22 1h29 n LYS 190 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1h29 s LYS 191 N -6.93 1.03 0.31 1.97 1.02 -1.22 -5.02 119.74 110.90 1h29 s LYS 191 Ca 0.06 -1.40 -0.27 0.00 0.02 0.00 0.00 55.97 54.39 1h29 s LYS 191 Cb -0.04 0.28 -0.10 0.00 -0.52 0.00 0.00 37.83 37.46 1h29 s LYS 191 CO 0.94 -0.32 0.95 -0.51 -0.92 0.00 0.00 175.35 175.49 1h29 s LEU 192 N -3.04 4.39 0.08 3.17 1.43 -1.26 -0.83 118.68 122.62 1h29 s LEU 192 Ca 0.24 1.88 -0.04 0.00 -1.03 0.00 0.00 54.13 55.18 1h29 s LEU 192 Cb 0.06 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 1h29 s LEU 192 CO 0.03 -0.05 0.07 0.68 0.23 0.00 0.00 176.35 177.31 1h29 s VAL 193 N -1.53 0.17 -0.01 -1.59 -7.23 -0.73 -4.90 120.40 104.59 1h29 s VAL 193 Ca 0.49 -1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1h29 s VAL 193 Cb -0.20 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 1h29 s VAL 193 CO 0.26 -0.79 1.30 0.86 -0.31 0.00 0.00 175.10 176.42 1h29 s TRP 194 N -3.91 3.06 -0.46 2.82 -0.00 -1.26 -1.56 118.94 117.62 1h29 s TRP 194 Ca 0.08 1.02 -0.14 0.00 -0.00 0.00 0.00 56.10 57.06 1h29 s TRP 194 Cb 0.07 -3.55 0.07 0.00 -0.00 0.00 0.00 33.47 30.06 1h29 s TRP 194 CO -0.09 -1.90 0.37 0.20 -0.00 0.00 0.00 176.95 175.53 1h29 s GLY 195 N 1.60 2.03 0.18 5.86 0.00 -1.26 -4.88 107.32 110.85 1h29 s GLY 195 Ca 0.60 -2.12 -0.33 0.00 0.00 0.00 0.00 44.72 42.87 1h29 s GLY 195 CO 0.25 1.04 1.59 1.17 0.00 0.00 0.00 173.10 177.15 1h29 n LYS 196 N 5.15 2.26 -2.70 2.90 4.81 -1.26 -1.63 118.16 127.68 1h29 n LYS 196 Ca -0.12 0.81 -0.20 0.00 -0.87 0.00 0.00 58.31 57.93 1h29 n LYS 196 Cb 0.43 -2.59 0.01 0.00 0.02 0.00 0.00 35.03 32.90 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 3.39 -5.38 -0.30 3.14 4.13 -1.26 -4.84 115.26 114.14 1h29 n ASN 197 Ca 0.16 -0.10 0.03 0.00 1.68 0.00 0.00 54.58 56.36 1h29 n ASN 197 Cb 0.30 -4.44 0.05 0.00 -1.54 0.00 0.00 39.78 34.15 1h29 n ASN 197 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1h29 n LYS 198 N -3.37 0.56 -1.49 3.52 4.81 -0.65 -4.89 118.16 116.65 1h29 n LYS 198 Ca -0.16 -1.50 -0.35 0.00 -0.87 0.00 0.00 58.31 55.42 1h29 n LYS 198 Cb 0.64 -0.85 0.09 0.00 0.02 0.00 0.00 35.03 34.93 1h29 n LYS 198 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1h29 s GLU 199 N -0.99 2.19 0.02 1.64 8.01 -1.25 -4.92 118.70 123.39 1h29 s GLU 199 Ca 0.11 1.89 -0.28 0.00 0.01 0.00 0.00 54.97 56.69 1h29 s GLU 199 Cb 0.09 -1.82 0.10 0.00 -4.31 0.00 0.00 34.13 28.19 1h29 s GLU 199 CO 0.01 -1.82 0.85 0.34 0.01 0.00 0.00 175.26 174.64 1h29 s ASP 200 N -1.79 -0.40 0.31 -0.19 3.68 -1.26 -4.94 116.67 112.09 1h29 s ASP 200 Ca 0.77 0.01 -0.29 0.00 2.13 0.00 0.00 52.55 55.18 1h29 s ASP 200 Cb -0.32 0.41 -0.12 0.00 -1.45 0.00 0.00 42.92 41.44 1h29 s ASP 200 CO 0.44 -0.67 1.40 -0.24 0.13 0.00 0.00 175.17 176.23 1h29 n SER 201 N -0.24 3.09 -0.06 -0.34 2.88 -1.26 -4.84 113.62 112.85 1h29 n SER 201 Ca -0.10 1.19 0.24 0.00 -1.33 0.00 0.00 58.87 58.86 1h29 n SER 201 Cb 0.62 -1.51 0.71 0.00 -0.75 0.00 0.00 64.21 63.29 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 0.00 0.00 -0.04 0.00 3.08 -1.89 -0.49 114.38 115.05 1h29 h ARG 203 Ca 0.31 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.21 1h29 h ARG 203 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1h29 h ARG 203 CO -0.00 0.00 -0.67 0.00 -1.07 0.00 0.00 179.97 178.23 1h29 h ALA 204 N 1.45 0.81 0.00 0.04 0.00 -1.06 -3.38 119.26 117.12 1h29 h ALA 204 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1h29 h ALA 204 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1h29 h ALA 204 CO 0.00 0.79 -0.48 0.00 0.00 0.00 0.00 179.25 179.56 1h29 s HIS 206 N -1.44 3.16 0.00 0.00 3.76 -0.29 -4.93 115.29 115.56 1h29 s HIS 206 Ca 0.00 -2.14 0.00 0.00 -0.15 0.00 0.00 55.06 52.77 1h29 s HIS 206 Cb 0.00 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1h29 s HIS 206 CO 0.00 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 173.44 1h29 n GLY 207 N 4.49 3.50 0.20 -2.22 0.00 -1.26 -4.01 105.19 105.88 1h29 n GLY 207 Ca -0.15 -1.97 -0.01 0.00 0.00 0.00 0.00 46.02 43.89 1h29 n GLY 207 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1h29 h GLU 208 N 0.00 0.22 -5.70 1.61 4.81 -1.95 0.33 114.58 113.89 1h29 h GLU 208 Ca 0.00 -0.09 -0.47 0.00 -0.13 0.00 0.00 59.36 58.66 1h29 h GLU 208 Cb 0.00 -0.01 -0.18 0.00 0.63 0.00 0.00 28.75 29.20 1h29 h GLU 208 CO 0.00 0.56 -0.77 0.15 -0.73 0.00 0.00 179.01 178.22 1h29 s LYS 209 N -4.21 1.17 0.36 1.92 1.02 -1.26 -4.75 119.74 113.99 1h29 s LYS 209 Ca -0.04 -1.35 -0.27 0.00 0.02 0.00 0.00 55.97 54.32 1h29 s LYS 209 Cb 0.14 -1.14 -0.10 0.00 -0.52 0.00 0.00 37.83 36.22 1h29 s LYS 209 CO 0.76 0.22 1.28 -1.25 -0.92 0.00 0.00 175.35 175.44 1h29 s PRO 210 N -2.80 4.21 -0.14 -1.68 0.04 -1.26 -4.16 135.00 129.21 1h29 s PRO 210 Ca 0.13 2.13 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 1h29 s PRO 210 Cb -0.05 -2.93 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 1h29 s PRO 210 CO 0.05 -0.28 -0.29 1.33 0.04 0.00 0.00 177.00 177.85 1h29 n VAL 211 N 0.52 1.45 0.00 -0.36 0.24 -0.81 -4.92 118.33 114.45 1h29 n VAL 211 Ca 0.02 0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 1h29 n VAL 211 Cb 0.43 -2.21 0.00 0.00 -1.47 0.00 0.00 33.84 30.59 1h29 n VAL 211 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1h29 n ASP 212 N -4.29 0.00 -0.25 -1.34 8.00 -1.26 -4.95 116.55 112.46 1h29 n ASP 212 Ca -0.13 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.44 1h29 n ASP 212 Cb 0.45 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.52 1h29 n ASP 212 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1h29 n LYS 213 N -0.82 1.88 -3.08 -1.24 5.02 -1.26 -4.91 118.16 113.75 1h29 n LYS 213 Ca 0.00 -0.56 -0.42 0.00 -2.02 0.00 0.00 58.31 55.31 1h29 n LYS 213 Cb 0.00 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.97 3.76 1.00 1.97 0.52 -1.26 -5.07 118.95 117.90 1h29 s ARG 214 Ca 0.11 0.19 -0.12 0.00 -0.52 0.00 0.00 55.73 55.39 1h29 s ARG 214 Cb 0.12 -3.78 0.16 0.00 0.52 0.00 0.00 34.95 31.97 1h29 s ARG 214 CO 0.44 -0.70 0.93 -2.30 0.02 0.00 0.00 175.30 173.69 1h29 n PRO 215 N 6.06 -0.98 -1.35 3.54 -0.02 -1.26 -1.92 135.00 139.08 1h29 n PRO 215 Ca -0.00 -0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 60.90 1h29 n PRO 215 Cb 0.49 -2.21 0.10 0.00 -0.02 0.00 0.00 33.50 31.86 1h29 n PRO 215 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h29 s ALA 216 N -2.52 2.05 0.25 3.55 0.00 -1.26 -4.31 121.76 119.52 1h29 s ALA 216 Ca 0.65 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 1h29 s ALA 216 Cb -0.23 -3.48 0.51 0.00 0.00 0.00 0.00 23.12 19.92 1h29 s ALA 216 CO 0.62 -1.98 1.68 1.25 0.00 0.00 0.00 175.76 177.33 1h29 h LEU 217 N -0.45 0.05 -0.71 0.00 5.85 -0.47 -1.06 115.31 118.52 1h29 h LEU 217 Ca -0.47 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1h29 h LEU 217 Cb 1.30 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 1h29 h LEU 217 CO 0.49 -0.04 0.34 -2.24 -0.34 0.00 0.00 178.44 176.65 1h29 h ASP 218 N 0.28 0.93 -0.55 1.25 -0.00 -1.92 -0.45 116.42 115.97 1h29 h ASP 218 Ca 0.44 -0.13 -0.07 0.00 -0.00 0.00 0.00 57.03 57.26 1h29 h ASP 218 Cb 0.77 -0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 39.84 1h29 h ASP 218 CO -0.52 0.80 0.06 0.74 -0.00 0.00 0.00 179.24 180.32 1h29 h THR 219 N 0.99 1.26 -0.15 1.15 2.02 -1.77 -1.05 112.91 115.36 1h29 h THR 219 Ca 0.24 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1h29 h THR 219 Cb 0.12 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1h29 h THR 219 CO -0.03 0.36 0.02 0.00 0.37 0.00 0.00 175.52 176.24 1h29 h ALA 220 N 0.98 0.19 -0.21 6.16 0.00 -0.82 -1.05 119.26 124.52 1h29 h ALA 220 Ca 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1h29 h ALA 220 Cb 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1h29 h ALA 220 CO 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 179.25 179.16 1h29 h ALA 221 N 0.80 0.28 -0.61 0.00 0.00 -1.08 -0.29 119.26 118.36 1h29 h ALA 221 Ca 0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1h29 h ALA 221 Cb 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1h29 h ALA 221 CO 0.00 -0.04 0.05 0.45 0.00 0.00 0.00 179.25 179.71 1h29 h HIS 222 N 0.14 1.10 0.16 0.00 -0.00 -1.16 0.30 115.15 115.69 1h29 h HIS 222 Ca 0.06 -0.16 -0.01 0.00 -0.00 0.00 0.00 60.37 60.26 1h29 h HIS 222 Cb 0.33 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1h29 h HIS 222 CO 0.02 0.95 -0.08 1.15 -0.00 0.00 0.00 177.93 179.98 1h29 h THR 223 N 0.95 0.92 0.12 2.45 2.02 -1.16 -3.09 112.91 115.13 1h29 h THR 223 Ca 0.18 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1h29 h THR 223 Cb 0.49 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1h29 h THR 223 CO 0.02 0.22 -0.06 0.00 0.37 0.00 0.00 175.52 176.07 1h29 h ALA 224 N -0.14 -0.17 -0.14 6.16 0.00 -1.03 -2.99 119.26 120.95 1h29 h ALA 224 Ca -0.02 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1h29 h ALA 224 Cb 0.52 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1h29 h ALA 224 CO 0.04 -0.35 -0.39 0.00 0.00 0.00 0.00 179.25 178.55 1h29 h ILE 226 N 0.12 1.41 -0.60 0.00 2.04 -1.63 -1.07 117.51 117.78 1h29 h ILE 226 Ca -0.01 -1.54 0.12 0.00 1.00 0.00 0.00 64.86 64.43 1h29 h ILE 226 Cb 1.00 2.20 -0.09 0.00 -0.74 0.00 0.00 36.82 39.19 1h29 h ILE 226 CO 0.08 0.44 0.10 0.77 0.00 0.00 0.00 178.15 179.54 1h29 h SER 227 N -0.19 -0.05 -0.16 1.72 4.64 -1.61 0.90 113.55 118.80 1h29 h SER 227 Ca -0.00 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1h29 h SER 227 Cb 0.81 0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1h29 h SER 227 CO 0.04 -0.02 0.07 0.00 -0.87 0.00 0.00 176.83 176.06 1h29 h HIS 229 N 0.12 1.00 -0.29 0.00 -0.00 -0.24 -1.36 115.15 114.38 1h29 h HIS 229 Ca 0.06 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.39 1h29 h HIS 229 Cb 0.15 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.23 1h29 h HIS 229 CO -0.02 0.41 -0.10 0.52 -0.00 0.00 0.00 177.93 178.75 1h29 h MET 230 N 0.91 0.48 -0.01 2.45 2.86 -0.66 -0.60 114.93 120.35 1h29 h MET 230 Ca 0.44 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1h29 h MET 230 Cb 0.40 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1h29 h MET 230 CO -0.25 0.58 -0.00 -0.44 1.06 0.00 0.00 176.91 177.86 1h29 h ASP 231 N 0.45 0.02 0.10 1.22 3.32 -0.72 -2.67 116.42 118.13 1h29 h ASP 231 Ca 0.09 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 1h29 h ASP 231 Cb 0.45 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1h29 h ASP 231 CO 0.02 0.46 -0.04 0.58 -1.72 0.00 0.00 179.24 178.54 1h29 h VAL 232 N -0.43 0.58 0.00 -1.35 2.07 -1.23 -2.60 116.25 113.30 1h29 h VAL 232 Ca 0.00 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1h29 h VAL 232 Cb 0.45 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1h29 h VAL 232 CO 0.00 0.04 -0.46 0.00 0.02 0.00 0.00 177.57 177.17 1h29 h ALA 233 N 1.96 1.19 -0.65 1.67 0.00 -0.77 -2.92 119.26 119.74 1h29 h ALA 233 Ca -0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1h29 h ALA 233 Cb 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1h29 h ALA 233 CO 0.01 0.58 0.16 0.87 0.00 0.00 0.00 179.25 180.86 1h29 h LYS 234 N 0.00 1.03 0.00 0.00 1.57 -1.27 -2.77 116.57 115.12 1h29 h LYS 234 Ca -0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1h29 h LYS 234 Cb 0.84 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1h29 h LYS 234 CO 0.06 0.91 0.00 1.79 -0.57 0.00 0.00 179.45 181.64 1h29 h THR 235 N 0.98 0.00 0.00 -0.16 1.35 -1.57 -3.47 112.91 110.04 1h29 h THR 235 Ca 0.21 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1h29 h THR 235 Cb 0.35 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1h29 h THR 235 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1h29 n LYS 236 N -2.44 0.00 -1.58 4.72 5.02 -1.05 -5.04 118.16 117.80 1h29 n LYS 236 Ca 0.03 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.03 1h29 n LYS 236 Cb 0.34 -2.60 0.19 0.00 -0.02 0.00 0.00 35.03 32.93 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 -2.82 1.64 0.39 7.82 0.00 -1.24 -5.01 121.76 122.54 1h29 s ALA 237 Ca 0.00 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.74 1h29 s ALA 237 Cb 0.00 -2.88 -0.10 0.00 0.00 0.00 0.00 23.12 20.15 1h29 s ALA 237 CO 0.00 -2.73 1.40 -1.21 0.00 0.00 0.00 175.76 173.22 1h29 s GLU 238 N -5.59 4.05 0.32 0.00 0.41 -1.26 -4.72 118.70 111.91 1h29 s GLU 238 Ca 0.70 2.38 -0.06 0.00 -0.41 0.00 0.00 54.97 57.58 1h29 s GLU 238 Cb -0.08 -2.88 0.01 0.00 -1.78 0.00 0.00 34.13 29.39 1h29 s GLU 238 CO 0.54 -0.51 0.50 -0.08 -0.49 0.00 0.00 175.26 175.22 1h29 s THR 239 N -1.17 0.00 0.72 3.63 -1.32 -1.26 -4.92 115.64 111.32 1h29 s THR 239 Ca 0.54 -1.50 -0.07 0.00 -1.21 0.00 0.00 61.69 59.45 1h29 s THR 239 Cb -0.43 -2.57 0.07 0.00 -1.51 0.00 0.00 72.50 68.06 1h29 s THR 239 CO 0.57 0.00 1.04 -0.83 -2.21 0.00 0.00 174.62 173.19 1h29 s GLY 240 N -3.17 1.68 0.67 6.08 0.00 -1.26 -5.07 107.32 106.26 1h29 s GLY 240 Ca 0.27 -0.93 -0.15 0.00 0.00 0.00 0.00 44.72 43.91 1h29 s GLY 240 CO 0.17 -0.51 1.12 -4.14 0.00 0.00 0.00 173.10 169.74 1h29 s PRO 241 N -5.29 2.70 0.00 2.90 0.02 -1.26 -4.85 135.00 129.21 1h29 s PRO 241 Ca 0.61 1.44 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1h29 s PRO 241 Cb -0.10 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1h29 s PRO 241 CO 0.45 -1.34 0.00 0.28 -0.33 0.00 0.00 177.00 176.06 1h29 n VAL 242 N -2.47 0.00 -1.81 3.83 0.31 -1.26 -4.81 118.33 112.13 1h29 n VAL 242 Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.03 1h29 n VAL 242 Cb 0.52 -0.43 -0.01 0.00 -0.91 0.00 0.00 33.84 33.01 1h29 n VAL 242 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1h29 s ASN 243 N -3.47 6.36 0.17 4.52 0.01 -1.26 -4.94 114.94 116.33 1h29 s ASN 243 Ca 0.00 3.02 -0.22 0.00 -0.71 0.00 0.00 52.86 54.95 1h29 s ASN 243 Cb 0.00 -2.66 0.08 0.00 0.41 0.00 0.00 41.25 39.08 1h29 s ASN 243 CO 0.00 -0.88 1.59 0.00 -1.51 0.00 0.00 177.10 176.31 1h29 h ALA 245 N 0.85 2.39 -0.16 0.00 0.00 -1.93 -0.14 119.26 120.28 1h29 h ALA 245 Ca 0.19 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1h29 h ALA 245 Cb 0.54 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1h29 h ALA 245 CO -0.59 -0.55 0.11 0.78 0.00 0.00 0.00 179.25 179.00 1h29 h GLY 246 N 0.09 0.15 0.00 0.00 0.00 -1.50 0.59 103.07 102.40 1h29 h GLY 246 Ca 0.26 -0.05 -0.19 0.00 0.00 0.00 0.00 47.33 47.35 1h29 h GLY 246 CO -0.02 0.05 -1.94 0.00 0.00 0.00 0.00 176.54 174.62 1h29 n HIS 248 N -2.40 0.00 -3.33 0.00 8.25 -0.11 -4.63 115.22 112.99 1h29 n HIS 248 Ca -0.18 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.90 1h29 n HIS 248 Cb 0.81 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.85 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 -2.09 3.54 0.44 -1.41 0.00 0.17 -1.02 121.76 121.40 1h29 s ALA 249 Ca 0.04 -0.12 0.13 0.00 0.00 0.00 0.00 51.96 52.01 1h29 s ALA 249 Cb 0.08 -2.61 1.04 0.00 0.00 0.00 0.00 23.12 21.64 1h29 s ALA 249 CO 0.46 0.19 2.01 -1.35 0.00 0.00 0.00 175.76 177.07 1h29 h PRO 250 N 5.77 0.37 -0.76 0.00 0.11 -1.88 -0.21 132.00 135.40 1h29 h PRO 250 Ca -0.45 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1h29 h PRO 250 Cb 1.20 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1h29 h PRO 250 CO 0.70 0.24 0.50 0.93 -0.21 0.00 0.00 178.00 180.16 1h29 h GLU 251 N 0.38 0.99 0.14 1.05 3.07 -1.93 -2.63 114.58 115.66 1h29 h GLU 251 Ca 0.22 -0.06 -0.29 0.00 -0.50 0.00 0.00 59.36 58.74 1h29 h GLU 251 Cb 0.40 -0.22 0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1h29 h GLU 251 CO -0.06 0.65 -1.26 0.00 -1.40 0.00 0.00 179.01 176.94 1h29 h ALA 252 N 1.28 0.05 -0.67 3.43 0.00 -1.42 -3.32 119.26 118.61 1h29 h ALA 252 Ca 0.28 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1h29 h ALA 252 Cb -0.10 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1h29 h ALA 252 CO -0.07 0.82 0.33 1.96 0.00 0.00 0.00 179.25 182.29 1h29 h GLN 253 N 0.16 0.94 0.00 0.00 4.20 -1.06 -1.76 115.11 117.59 1h29 h GLN 253 Ca -0.17 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1h29 h GLN 253 Cb 1.96 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.56 1h29 h GLN 253 CO 0.22 0.72 0.00 0.00 -0.67 0.00 0.00 178.83 179.10 1h29 h ALA 254 N 1.42 1.00 0.00 3.87 0.00 -1.56 -3.19 119.26 120.79 1h29 h ALA 254 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1h29 h ALA 254 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1h29 h ALA 254 CO -0.03 0.00 -0.58 0.87 0.00 0.00 0.00 179.25 179.51 1h29 h LYS 255 N 0.00 0.00 -6.66 0.00 1.57 -1.42 -3.47 116.57 106.59 1h29 h LYS 255 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1h29 h LYS 255 Cb 0.31 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.70 1h29 h LYS 255 CO 0.00 0.13 0.68 1.19 -0.57 0.00 0.00 179.45 180.88 1h29 n PHE 256 N -2.97 2.37 -1.71 -1.35 0.99 -1.21 -4.92 117.46 108.66 1h29 n PHE 256 Ca 0.01 0.39 -0.43 0.00 -0.00 0.00 0.00 57.45 57.42 1h29 n PHE 256 Cb 0.61 -2.50 -0.02 0.00 -1.00 0.00 0.00 39.48 36.57 1h29 n PHE 256 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1h29 n LYS 257 N 1.96 2.50 -4.97 -1.08 3.00 -1.26 -5.00 118.16 113.31 1h29 n LYS 257 Ca 0.10 0.89 -0.32 0.00 -0.00 0.00 0.00 58.31 58.98 1h29 n LYS 257 Cb 0.33 -2.66 -0.15 0.00 0.00 0.00 0.00 35.03 32.56 1h29 n LYS 257 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1h29 s VAL 258 N 0.34 2.72 -0.18 3.15 1.01 -1.26 -4.87 120.40 121.30 1h29 s VAL 258 Ca 0.69 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1h29 s VAL 258 Cb -0.56 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1h29 s VAL 258 CO 0.44 0.56 0.15 -0.69 0.00 0.00 0.00 175.10 175.56 1h29 s VAL 259 N -0.07 5.41 -0.04 2.92 1.01 -1.26 -5.04 120.40 123.34 1h29 s VAL 259 Ca -0.04 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1h29 s VAL 259 Cb -0.14 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1h29 s VAL 259 CO 0.04 0.47 0.19 -0.09 0.00 0.00 0.00 175.10 175.70 1h29 h ARG 260 N 6.36 -0.09 -4.15 2.72 2.43 -1.99 -3.42 114.38 116.24 1h29 h ARG 260 Ca -0.43 0.01 -0.76 0.00 -0.81 0.00 0.00 59.98 57.98 1h29 h ARG 260 Cb 1.17 0.02 -0.24 0.00 -0.42 0.00 0.00 29.97 30.50 1h29 h ARG 260 CO 0.73 -0.06 0.10 -2.00 -1.51 0.00 0.00 179.97 177.22 1h29 s GLU 261 N -1.71 3.36 -0.24 0.20 2.56 -1.26 -5.03 118.70 116.58 1h29 s GLU 261 Ca -0.01 -2.03 -0.10 0.00 0.00 0.00 0.00 54.97 52.82 1h29 s GLU 261 Cb 0.00 -4.42 -0.05 0.00 2.00 0.00 0.00 34.13 31.66 1h29 s GLU 261 CO 0.04 -1.39 0.15 0.54 -0.56 0.00 0.00 175.26 174.04 1h29 s VAL 262 N 1.16 5.30 0.84 3.70 0.11 -1.26 -5.07 120.40 125.19 1h29 s VAL 262 Ca 0.15 0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 59.23 1h29 s VAL 262 Cb -0.17 -3.47 0.08 0.00 -1.53 0.00 0.00 36.38 31.30 1h29 s VAL 262 CO -0.04 0.35 1.03 -0.81 -3.33 0.00 0.00 175.10 172.31 1h29 n PRO 263 N 4.24 -0.02 -1.75 1.54 -0.04 -1.26 -4.90 135.00 132.81 1h29 n PRO 263 Ca -0.15 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 1h29 n PRO 263 Cb 0.52 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 1h29 n PRO 263 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1h29 s ARG 264 N -4.06 4.13 -0.20 0.54 3.52 -1.26 -4.94 118.95 116.68 1h29 s ARG 264 Ca 0.69 2.59 -0.27 0.00 -0.13 0.00 0.00 55.73 58.61 1h29 s ARG 264 Cb -0.27 -3.08 -0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1h29 s ARG 264 CO 0.55 -0.74 0.94 -1.17 -0.81 0.00 0.00 175.30 174.07 1h29 s LEU 265 N 1.16 4.13 -0.35 -0.88 2.96 -1.26 -5.00 118.68 119.45 1h29 s LEU 265 Ca 0.74 1.27 -0.07 0.00 -0.22 0.00 0.00 54.13 55.86 1h29 s LEU 265 Cb -0.49 -3.39 0.04 0.00 0.50 0.00 0.00 46.19 42.85 1h29 s LEU 265 CO 0.32 -0.54 0.12 -0.62 -1.32 0.00 0.00 176.35 174.31 1h29 s ASP 266 N 1.21 5.36 -0.07 3.68 2.15 -1.26 -4.90 116.67 122.84 1h29 s ASP 266 Ca 0.41 -1.16 0.13 0.00 0.43 0.00 0.00 52.55 52.37 1h29 s ASP 266 Cb -0.16 -1.89 0.25 0.00 -0.30 0.00 0.00 42.92 40.83 1h29 s ASP 266 CO 0.09 -0.34 1.12 -1.14 -0.17 0.00 0.00 175.17 174.73 1h29 n ARG 267 N 4.83 0.58 -1.00 4.34 0.63 -1.26 -4.99 116.66 119.78 1h29 n ARG 267 Ca -0.12 -2.04 0.00 0.00 -0.92 0.00 0.00 57.85 54.77 1h29 n ARG 267 Cb 0.45 -0.80 0.00 0.00 0.45 0.00 0.00 32.46 32.56 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 -0.40 0.48 3.79 5.14 0.00 -1.26 -4.75 105.19 108.19 1h29 n GLY 268 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1h29 n GLY 268 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h29 s GLN 269 N -0.10 4.32 0.77 1.61 1.11 -1.26 -5.00 119.66 121.11 1h29 s GLN 269 Ca 0.00 1.40 -0.14 0.00 0.01 0.00 0.00 55.36 56.63 1h29 s GLN 269 Cb 0.00 -2.59 0.06 0.00 -1.01 0.00 0.00 33.01 29.47 1h29 s GLN 269 CO 0.00 0.02 1.21 -1.25 0.01 0.00 0.00 175.29 175.29 1h29 s PRO 270 N -2.42 1.89 -0.08 2.91 0.04 -1.26 -4.96 135.00 131.12 1h29 s PRO 270 Ca 0.56 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 63.15 1h29 s PRO 270 Cb -0.19 -1.80 -0.29 0.00 0.04 0.00 0.00 34.50 32.25 1h29 s PRO 270 CO 0.24 -2.03 0.80 -0.44 0.04 0.00 0.00 177.00 175.62 1h29 h ASP 271 N -0.57 0.33 -3.34 6.66 5.19 -1.94 -3.37 116.42 119.37 1h29 h ASP 271 Ca -0.47 -0.94 -0.67 0.00 -0.62 0.00 0.00 57.03 54.34 1h29 h ASP 271 Cb 1.30 -0.11 -0.32 0.00 0.18 0.00 0.00 39.33 40.38 1h29 h ASP 271 CO 0.48 1.33 -0.78 0.00 -3.12 0.00 0.00 179.24 177.15 1h29 s ALA 272 N -2.38 2.61 0.02 3.45 0.00 -1.26 -0.91 121.76 123.28 1h29 s ALA 272 Ca -0.16 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.49 1h29 s ALA 272 Cb 0.01 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1h29 s ALA 272 CO 0.78 -0.56 0.11 0.00 0.00 0.00 0.00 175.76 176.09 1h29 s ALA 273 N 1.35 3.68 -0.40 0.00 0.00 -0.39 -4.08 121.76 121.92 1h29 s ALA 273 Ca 0.03 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 1h29 s ALA 273 Cb -0.15 -1.62 0.09 0.00 0.00 0.00 0.00 23.12 21.45 1h29 s ALA 273 CO -0.07 0.73 0.20 -1.17 0.00 0.00 0.00 175.76 175.45 1h29 s LEU 274 N -1.98 5.07 -0.22 0.00 2.96 -1.26 -0.87 118.68 122.38 1h29 s LEU 274 Ca 0.26 -1.75 -0.21 0.00 -0.22 0.00 0.00 54.13 52.20 1h29 s LEU 274 Cb -0.12 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1h29 s LEU 274 CO 0.18 -0.52 0.66 -0.63 -1.32 0.00 0.00 176.35 174.72 1h29 s ILE 275 N 1.26 4.98 0.06 6.68 1.01 -0.16 -4.98 121.20 130.06 1h29 s ILE 275 Ca 0.04 1.23 0.08 0.00 0.00 0.00 0.00 60.65 62.01 1h29 s ILE 275 Cb -0.23 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 1h29 s ILE 275 CO -0.02 0.06 -0.20 -0.76 0.00 0.00 0.00 174.94 174.02 1h29 s LEU 276 N 2.21 2.52 -1.12 2.97 1.43 -1.26 -2.42 118.68 123.01 1h29 s LEU 276 Ca 0.29 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.67 1h29 s LEU 276 Cb -0.16 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1h29 s LEU 276 CO 0.10 0.24 1.69 -2.16 0.23 0.00 0.00 176.35 176.45 1h29 s PRO 277 N -1.56 3.40 -0.28 1.29 0.04 -1.26 -4.92 135.00 131.71 1h29 s PRO 277 Ca 0.15 -1.29 -0.29 0.00 0.04 0.00 0.00 61.00 59.61 1h29 s PRO 277 Cb -0.10 -5.36 0.01 0.00 0.04 0.00 0.00 34.50 29.09 1h29 s PRO 277 CO 0.05 -2.67 1.08 0.08 0.04 0.00 0.00 177.00 175.59 1h29 s VAL 278 N 6.42 4.54 0.27 -0.36 1.01 -1.26 -4.60 120.40 126.42 1h29 s VAL 278 Ca 0.56 1.80 0.03 0.00 0.00 0.00 0.00 61.98 64.37 1h29 s VAL 278 Cb 0.00 -4.35 0.04 0.00 0.00 0.00 0.00 36.38 32.08 1h29 s VAL 278 CO 0.01 -0.36 1.69 1.55 0.00 0.00 0.00 175.10 177.98 1h29 h PRO 279 N 7.94 0.41 -2.88 2.72 0.13 -1.92 0.18 132.00 138.58 1h29 h PRO 279 Ca -0.21 -0.18 0.34 0.00 -0.87 0.00 0.00 66.00 65.09 1h29 h PRO 279 Cb 1.06 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.08 1h29 h PRO 279 CO 1.01 0.70 -0.57 0.41 -0.23 0.00 0.00 178.00 179.32 1h29 n GLY 280 N -0.24 -2.06 0.00 1.56 0.00 -1.26 -4.46 105.19 98.72 1h29 n GLY 280 Ca -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1h29 n GLY 280 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1h29 n LYS 281 N -3.94 2.28 -1.85 1.61 2.85 -1.26 -4.89 118.16 112.97 1h29 n LYS 281 Ca -0.01 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.11 1h29 n LYS 281 Cb 0.59 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.93 1h29 n LYS 281 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1h29 n ASP 282 N 0.00 -3.97 -3.70 -5.58 10.43 -1.26 -4.99 116.55 107.49 1h29 n ASP 282 Ca 0.00 0.26 -0.29 0.00 2.57 0.00 0.00 54.79 57.34 1h29 n ASP 282 Cb 0.00 -3.52 -0.12 0.00 1.84 0.00 0.00 41.12 39.31 1h29 n ASP 282 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1h29 s GLU 286 N -3.98 1.47 -0.58 -1.24 2.02 -1.26 -5.24 118.70 109.89 1h29 s GLU 286 Ca 0.00 -2.30 -0.26 0.00 0.02 0.00 0.00 54.97 52.43 1h29 s GLU 286 Cb 0.00 -2.42 -0.06 0.00 0.10 0.00 0.00 34.13 31.75 1h29 s GLU 286 CO 0.00 -1.22 2.22 1.41 0.02 0.00 0.00 175.26 177.68 1h29 s MET 287 N -0.06 2.23 0.74 1.61 1.75 -1.26 -4.95 119.30 119.35 1h29 s MET 287 Ca 0.22 0.98 -0.05 0.00 -1.25 0.00 0.00 55.69 55.59 1h29 s MET 287 Cb -0.16 -4.57 0.15 0.00 2.84 0.00 0.00 34.83 33.10 1h29 s MET 287 CO -0.06 -3.24 1.01 1.63 -0.65 0.00 0.00 175.02 173.70 1h29 n LYS 288 N 9.04 -0.39 -3.38 4.11 5.02 -1.26 -4.31 118.16 126.99 1h29 n LYS 288 Ca 0.33 -2.31 -0.24 0.00 -2.02 0.00 0.00 58.31 54.07 1h29 n LYS 288 Cb 0.52 -0.80 -0.01 0.00 -0.02 0.00 0.00 35.03 34.72 1h29 n LYS 288 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h29 s GLY 289 N -5.11 1.34 -0.02 0.72 0.00 -1.26 -5.01 107.32 97.97 1h29 s GLY 289 Ca 0.63 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 44.46 1h29 s GLY 289 CO 0.43 -0.85 0.01 -1.30 0.00 0.00 0.00 173.10 171.39 1h29 n THR 290 N -1.78 0.10 -3.70 0.90 -2.24 -1.26 -5.08 114.28 101.22 1h29 n THR 290 Ca -0.05 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 1h29 n THR 290 Cb 0.56 -0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 1h29 n THR 290 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1h29 s MET 291 N -2.04 3.48 0.51 -0.78 -1.94 -1.26 -5.08 119.30 112.19 1h29 s MET 291 Ca -0.01 -0.48 -0.21 0.00 -1.71 0.00 0.00 55.69 53.29 1h29 s MET 291 Cb 0.00 -2.81 -0.09 0.00 2.01 0.00 0.00 34.83 33.94 1h29 s MET 291 CO 0.06 0.35 0.73 1.63 -0.01 0.00 0.00 175.02 177.78 1h29 n LYS 292 N -1.18 0.80 -1.24 2.03 4.01 -1.26 -5.00 118.16 116.32 1h29 n LYS 292 Ca -0.06 0.30 -0.30 0.00 -0.51 0.00 0.00 58.31 57.74 1h29 n LYS 292 Cb 0.55 -1.83 0.21 0.00 -0.51 0.00 0.00 35.03 33.45 1h29 n LYS 292 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1h29 s PRO 293 N -2.09 -0.45 -0.23 1.97 0.04 -1.25 -4.38 135.00 128.62 1h29 s PRO 293 Ca 0.68 0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.77 1h29 s PRO 293 Cb -0.50 -1.68 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1h29 s PRO 293 CO 0.54 -3.22 -0.06 0.08 0.04 0.00 0.00 177.00 174.39 1h29 s VAL 294 N -3.13 1.54 0.31 -0.36 1.01 -1.02 -1.16 120.40 117.60 1h29 s VAL 294 Ca 0.69 -1.22 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 1h29 s VAL 294 Cb -0.11 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 1h29 s VAL 294 CO 0.56 -0.09 1.06 0.00 0.00 0.00 0.00 175.10 176.63 1h29 s ALA 295 N 1.39 3.31 -0.04 5.51 0.00 -1.26 -0.98 121.76 129.69 1h29 s ALA 295 Ca -0.06 0.80 -0.00 0.00 0.00 0.00 0.00 51.96 52.71 1h29 s ALA 295 Cb -0.19 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.66 1h29 s ALA 295 CO -0.06 -0.12 0.00 0.12 0.00 0.00 0.00 175.76 175.70 1h29 s PHE 296 N -1.31 0.38 -1.25 0.00 5.36 -0.05 -4.96 117.98 116.15 1h29 s PHE 296 Ca 0.48 -0.02 -0.19 0.00 -0.96 0.00 0.00 56.93 56.24 1h29 s PHE 296 Cb -0.28 -0.50 0.06 0.00 -0.34 0.00 0.00 43.02 41.96 1h29 s PHE 296 CO 0.36 -0.17 1.69 0.34 -1.46 0.00 0.00 175.22 175.98 1h29 s ASP 297 N 1.28 6.73 0.18 6.13 -1.08 -1.26 -1.26 116.67 127.38 1h29 s ASP 297 Ca -0.06 -2.24 -0.14 0.00 -0.52 0.00 0.00 52.55 49.59 1h29 s ASP 297 Cb -0.13 -2.58 0.15 0.00 -1.46 0.00 0.00 42.92 38.90 1h29 s ASP 297 CO -0.02 -1.28 1.73 -0.74 0.52 0.00 0.00 175.17 175.38 1h29 h HIS 298 N 8.04 0.21 -0.48 -5.34 -0.00 -1.29 -1.90 115.15 114.39 1h29 h HIS 298 Ca 0.40 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.76 1h29 h HIS 298 Cb 0.90 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.26 1h29 h HIS 298 CO 1.40 0.05 0.16 -0.22 -0.00 0.00 0.00 177.93 179.31 1h29 h LYS 299 N 0.28 0.70 -0.09 5.26 3.64 -1.47 -0.80 116.57 124.08 1h29 h LYS 299 Ca 0.22 -0.11 -0.20 0.00 -1.27 0.00 0.00 60.65 59.30 1h29 h LYS 299 Cb 0.26 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1h29 h LYS 299 CO -0.27 0.60 -0.76 0.00 -2.27 0.00 0.00 179.45 176.76 1h29 h ALA 300 N 1.49 0.52 -0.12 5.00 0.00 -1.76 -3.11 119.26 121.28 1h29 h ALA 300 Ca 0.16 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1h29 h ALA 300 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1h29 h ALA 300 CO -0.01 0.75 -0.48 0.45 0.00 0.00 0.00 179.25 179.96 1h29 h HIS 301 N 0.33 0.38 -0.56 0.00 3.86 -0.65 -2.54 115.15 115.97 1h29 h HIS 301 Ca -0.04 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1h29 h HIS 301 Cb 1.35 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.71 1h29 h HIS 301 CO 0.05 0.74 0.31 0.93 0.86 0.00 0.00 177.93 180.82 1h29 h GLU 302 N 0.25 0.76 0.00 2.45 5.08 -1.17 -0.55 114.58 121.41 1h29 h GLU 302 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1h29 h GLU 302 Cb 0.94 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1h29 h GLU 302 CO 0.08 0.55 0.00 0.00 -1.00 0.00 0.00 179.01 178.64 1h29 h ALA 303 N 1.58 1.00 0.00 3.43 0.00 -1.39 -3.24 119.26 120.64 1h29 h ALA 303 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1h29 h ALA 303 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1h29 h ALA 303 CO -0.03 0.00 -1.50 1.63 0.00 0.00 0.00 179.25 179.34 1h29 n LYS 304 N -2.82 0.57 -2.18 0.00 4.76 -0.95 -5.01 118.16 112.53 1h29 n LYS 304 Ca 0.03 -0.11 -0.28 0.00 -2.87 0.00 0.00 58.31 55.08 1h29 n LYS 304 Cb 0.40 -1.28 0.04 0.00 -1.84 0.00 0.00 35.03 32.34 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 -2.82 3.13 -0.64 7.82 0.00 -0.26 -5.02 121.76 123.98 1h29 s ALA 305 Ca -0.04 -0.53 0.23 0.00 0.00 0.00 0.00 51.96 51.62 1h29 s ALA 305 Cb 0.08 -2.79 0.17 0.00 0.00 0.00 0.00 23.12 20.59 1h29 s ALA 305 CO 0.52 -0.93 1.15 0.09 0.00 0.00 0.00 175.76 176.59 1h29 n ASN 306 N -2.76 0.64 -0.46 0.00 4.13 -1.26 -4.94 115.26 110.62 1h29 n ASN 306 Ca 0.05 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.22 1h29 n ASN 306 Cb 0.57 0.54 0.00 0.00 -1.54 0.00 0.00 39.78 39.36 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 -2.00 0.00 -0.10 6.41 5.68 -1.26 -0.85 116.55 124.43 1h29 n ASP 307 Ca 0.03 -0.46 -0.21 0.00 -0.50 0.00 0.00 54.79 53.65 1h29 n ASP 307 Cb 0.43 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.29 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 -3.52 -0.01 0.03 0.00 0.63 -1.26 -0.95 116.66 111.58 1h29 n ARG 309 Ca -0.43 1.02 0.02 0.00 -0.92 0.00 0.00 57.85 57.54 1h29 n ARG 309 Cb 0.97 -2.29 0.37 0.00 0.45 0.00 0.00 32.46 31.96 1h29 n ARG 309 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1h29 h THR 310 N 0.00 1.16 0.00 5.15 2.02 -1.98 -3.20 112.91 116.06 1h29 h THR 310 Ca 0.85 -0.56 -0.22 0.00 0.77 0.00 0.00 66.41 67.25 1h29 h THR 310 Cb 3.31 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 70.53 1h29 h THR 310 CO -0.09 0.20 -1.66 0.00 0.37 0.00 0.00 175.52 174.34 1h29 n HIS 312 N -4.09 3.36 0.28 0.00 8.25 -0.56 -4.72 115.22 117.74 1h29 n HIS 312 Ca -0.31 -2.74 0.15 0.00 -0.26 0.00 0.00 57.72 54.57 1h29 n HIS 312 Cb 0.65 -2.43 0.50 0.00 1.12 0.00 0.00 29.99 29.83 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 6.55 0.00 0.00 4.41 -0.00 -1.82 -3.26 115.15 121.03 1h29 h HIS 313 Ca 0.53 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.60 1h29 h HIS 313 Cb 0.67 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.04 1h29 h HIS 313 CO 1.42 0.00 -2.00 0.28 -0.00 0.00 0.00 177.93 177.63 1h29 n VAL 314 N -3.02 0.98 -3.68 6.12 0.31 -1.26 -5.04 118.33 112.74 1h29 n VAL 314 Ca 0.02 -0.27 -0.14 0.00 -0.01 0.00 0.00 64.34 63.93 1h29 n VAL 314 Cb 0.38 -1.62 -0.08 0.00 -0.91 0.00 0.00 33.84 31.61 1h29 n VAL 314 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1h29 s ARG 315 N -2.33 0.72 0.12 5.55 0.52 -1.23 -4.28 118.95 118.01 1h29 s ARG 315 Ca -0.25 0.26 -0.31 0.00 -0.52 0.00 0.00 55.73 54.91 1h29 s ARG 315 Cb 0.09 0.33 -0.09 0.00 0.52 0.00 0.00 34.95 35.81 1h29 s ARG 315 CO 0.33 -0.17 1.50 0.42 0.02 0.00 0.00 175.30 177.40 1h29 s ILE 316 N -0.66 3.02 0.00 1.52 1.01 -1.26 -4.67 121.20 120.16 1h29 s ILE 316 Ca -0.08 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.27 1h29 s ILE 316 Cb -0.03 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1h29 s ILE 316 CO 0.04 0.04 0.00 -0.67 0.00 0.00 0.00 174.94 174.35 1h29 n ASP 317 N 4.27 0.00 -4.14 3.58 -0.08 -1.26 -5.12 116.55 113.80 1h29 n ASP 317 Ca 0.13 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.12 1h29 n ASP 317 Cb 0.41 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.10 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 1.73 -0.05 5.18 -4.23 -1.26 -4.96 115.64 110.04 1h29 s THR 318 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 1h29 s THR 318 Cb 0.00 -2.29 -0.25 0.00 1.34 0.00 0.00 72.50 71.29 1h29 s THR 318 CO 0.00 0.00 0.65 0.00 -0.54 0.00 0.00 174.62 174.73 1h29 n THR 320 N -3.30 0.78 0.29 0.00 -2.24 -1.26 -1.63 114.28 106.91 1h29 n THR 320 Ca -0.21 0.19 0.17 0.00 -2.27 0.00 0.00 64.05 61.94 1h29 n THR 320 Cb 1.04 -1.04 0.86 0.00 -2.10 0.00 0.00 70.33 69.09 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 2.44 1.11 0.00 6.98 0.00 -1.97 -3.39 119.26 124.43 1h29 h ALA 321 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1h29 h ALA 321 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1h29 h ALA 321 CO 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 179.25 179.02 1h29 s HIS 323 N -2.00 2.58 0.62 0.00 3.76 -0.65 -3.24 115.29 116.36 1h29 s HIS 323 Ca 0.00 -1.01 -0.07 0.00 -0.15 0.00 0.00 55.06 53.83 1h29 s HIS 323 Cb 0.00 -4.71 0.01 0.00 1.11 0.00 0.00 32.58 28.99 1h29 s HIS 323 CO 0.00 -1.91 0.95 0.95 -0.85 0.00 0.00 174.74 173.87 1h29 s THR 324 N 4.82 3.56 0.24 1.30 -4.23 -1.26 -4.14 115.64 115.92 1h29 s THR 324 Ca 0.48 0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 61.00 1h29 s THR 324 Cb 0.01 -3.44 0.38 0.00 1.34 0.00 0.00 72.50 70.79 1h29 s THR 324 CO -0.06 -0.48 1.33 0.52 -0.54 0.00 0.00 174.62 175.39 1h29 n VAL 325 N -2.68 -0.37 0.14 2.29 0.31 0.63 -0.31 118.33 118.33 1h29 n VAL 325 Ca 0.05 1.96 0.04 0.00 -0.01 0.00 0.00 64.34 66.38 1h29 n VAL 325 Cb 0.58 -2.70 0.04 0.00 -0.91 0.00 0.00 33.84 30.84 1h29 n VAL 325 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1h29 h ASN 326 N 0.00 0.00 -4.14 4.52 -0.73 -1.80 -3.35 115.58 110.07 1h29 h ASN 326 Ca 0.40 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.57 1h29 h ASN 326 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.21 1h29 h ASN 326 CO -0.88 0.40 0.00 0.61 -0.37 0.00 0.00 177.43 177.19 1h29 n GLY 327 N 1.22 -2.03 3.45 1.57 0.00 0.57 -4.62 105.19 105.36 1h29 n GLY 327 Ca 0.01 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.46 1.40 0.48 2.61 -4.23 -1.20 -4.77 115.64 106.47 1h29 s THR 328 Ca 0.00 -2.04 0.15 0.00 -1.18 0.00 0.00 61.69 58.62 1h29 s THR 328 Cb 0.00 -2.69 0.23 0.00 1.34 0.00 0.00 72.50 71.39 1h29 s THR 328 CO 0.00 -0.11 2.08 0.00 -0.54 0.00 0.00 174.62 176.05 1h29 h ALA 329 N 2.15 1.86 -0.84 3.99 0.00 -1.93 0.68 119.26 125.17 1h29 h ALA 329 Ca -0.41 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 54.60 1h29 h ALA 329 Cb 1.24 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1h29 h ALA 329 CO 0.70 0.11 0.55 -0.44 0.00 0.00 0.00 179.25 180.17 1h29 h ASP 330 N 0.03 0.45 -0.48 0.00 5.19 -1.95 -1.65 116.42 118.02 1h29 h ASP 330 Ca 0.01 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1h29 h ASP 330 Cb 0.13 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1h29 h ASP 330 CO 0.01 0.22 0.00 -1.54 -3.12 0.00 0.00 179.24 174.80 1h29 n SER 331 N -4.51 4.49 -4.19 6.45 3.41 -0.73 -4.92 113.62 113.62 1h29 n SER 331 Ca 0.17 -2.67 -0.35 0.00 -0.26 0.00 0.00 58.87 55.76 1h29 n SER 331 Cb 0.57 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.45 -3.36 -0.97 4.33 5.02 -0.62 -1.84 118.16 121.16 1h29 n LYS 332 Ca 0.23 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1h29 n LYS 332 Cb 0.90 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.82 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 -4.41 0.00 -1.63 2.13 3.01 0.23 -4.95 117.46 111.83 1h29 n PHE 333 Ca 0.05 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.08 1h29 n PHE 333 Cb 0.51 -1.34 -0.03 0.00 -0.01 0.00 0.00 39.48 38.60 1h29 n PHE 333 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1h29 n VAL 334 N -2.29 0.57 -1.43 -4.37 0.31 -0.77 -4.62 118.33 105.73 1h29 n VAL 334 Ca 0.00 -0.27 -0.31 0.00 -0.01 0.00 0.00 64.34 63.75 1h29 n VAL 334 Cb 0.31 -2.37 0.08 0.00 -0.91 0.00 0.00 33.84 30.95 1h29 n VAL 334 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1h29 s GLN 335 N 5.26 2.38 0.18 5.55 -0.21 -1.26 -4.48 119.66 127.08 1h29 s GLN 335 Ca 0.95 0.94 -0.14 0.00 0.02 0.00 0.00 55.36 57.12 1h29 s GLN 335 Cb -0.43 -1.93 0.17 0.00 1.00 0.00 0.00 33.01 31.83 1h29 s GLN 335 CO 0.40 -1.49 1.68 1.25 -2.12 0.00 0.00 175.29 175.00 1h29 h LEU 336 N -1.01 -0.28 -0.99 2.90 5.85 -1.39 -1.40 115.31 119.00 1h29 h LEU 336 Ca -0.45 0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.53 1h29 h LEU 336 Cb 1.24 0.23 -0.15 0.00 0.37 0.00 0.00 40.66 42.35 1h29 h LEU 336 CO 0.55 -0.10 -0.46 -0.08 -0.34 0.00 0.00 178.44 178.02 1h29 h GLU 337 N 0.08 -0.01 0.00 1.25 4.22 -1.85 -0.06 114.58 118.21 1h29 h GLU 337 Ca 0.24 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.62 1h29 h GLU 337 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1h29 h GLU 337 CO -0.43 -0.00 -0.27 -0.22 -2.18 0.00 0.00 179.01 175.91 1h29 h LYS 338 N -0.01 0.00 0.00 1.92 3.64 -1.73 -1.82 116.57 118.57 1h29 h LYS 338 Ca 0.28 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.54 1h29 h LYS 338 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1h29 h LYS 338 CO -0.97 0.27 -0.59 0.00 -2.27 0.00 0.00 179.45 175.89 1h29 h ALA 339 N 1.73 0.73 0.00 5.00 0.00 0.01 -2.40 119.26 124.34 1h29 h ALA 339 Ca -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1h29 h ALA 339 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1h29 h ALA 339 CO 0.04 0.74 -1.96 -1.33 0.00 0.00 0.00 179.25 176.74 1h29 n MET 340 N -3.41 0.66 -0.00 0.00 2.81 -0.72 -3.89 117.12 112.57 1h29 n MET 340 Ca 0.01 -0.15 0.02 0.00 -1.81 0.00 0.00 57.70 55.76 1h29 n MET 340 Cb 0.70 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.71 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 -2.26 0.00 -1.55 2.03 8.25 -0.70 -1.26 115.22 119.73 1h29 n HIS 341 Ca -0.08 0.00 -0.56 0.00 -0.26 0.00 0.00 57.72 56.82 1h29 n HIS 341 Cb 0.61 -0.09 -0.08 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.63 0.89 0.11 -0.41 -0.06 -0.90 -4.09 117.38 111.29 1h29 n GLN 342 Ca -0.01 0.29 0.06 0.00 -2.00 0.00 0.00 57.00 55.35 1h29 n GLN 342 Cb 0.11 -2.10 0.52 0.00 -4.06 0.00 0.00 30.24 24.71 1h29 n GLN 342 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1h29 h PRO 343 N 9.11 0.30 -0.40 3.69 0.13 -1.90 -2.85 132.00 140.08 1h29 h PRO 343 Ca -0.34 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1h29 h PRO 343 Cb 1.34 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1h29 h PRO 343 CO 1.00 0.20 0.00 -0.40 -0.23 0.00 0.00 178.00 178.57 1h29 n ASP 344 N -4.50 3.93 -4.44 1.44 5.68 -1.26 -4.24 116.55 113.16 1h29 n ASP 344 Ca 0.01 -2.56 -0.33 0.00 -0.50 0.00 0.00 54.79 51.41 1h29 n ASP 344 Cb 0.08 -0.47 -0.14 0.00 -1.14 0.00 0.00 41.12 39.46 1h29 n ASP 344 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1h29 s SER 345 N -1.33 3.98 0.49 -1.12 0.15 -1.18 -5.02 113.70 109.67 1h29 s SER 345 Ca 0.40 -0.24 0.32 0.00 0.70 0.00 0.00 55.95 57.13 1h29 s SER 345 Cb 0.28 -1.00 1.39 0.00 -1.71 0.00 0.00 66.02 64.97 1h29 s SER 345 CO 0.15 0.30 1.96 0.24 1.20 0.00 0.00 173.24 177.09 1h29 h MET 346 N 5.66 0.00 0.00 5.44 2.86 -1.89 -2.70 114.93 124.29 1h29 h MET 346 Ca -0.41 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.13 1h29 h MET 346 Cb 1.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1h29 h MET 346 CO 0.51 0.00 -0.44 0.00 1.06 0.00 0.00 176.91 178.05 1h29 h ARG 347 N 0.00 0.00 -6.73 1.72 3.08 -1.93 -3.36 114.38 107.17 1h29 h ARG 347 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1h29 h ARG 347 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.47 1h29 h ARG 347 CO 0.00 0.44 0.01 -1.54 -1.07 0.00 0.00 179.97 177.81 1h29 s SER 348 N -6.42 6.43 0.09 7.04 1.04 -1.21 -4.84 113.70 115.83 1h29 s SER 348 Ca 0.04 0.91 -0.32 0.00 0.48 0.00 0.00 55.95 57.06 1h29 s SER 348 Cb 0.08 -2.23 -0.14 0.00 0.10 0.00 0.00 66.02 63.83 1h29 s SER 348 CO 0.73 -0.36 1.60 0.00 0.98 0.00 0.00 173.24 176.19 1h29 h VAL 350 N -0.78 1.18 -0.24 0.00 2.07 -1.66 -2.49 116.25 114.33 1h29 h VAL 350 Ca -0.03 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1h29 h VAL 350 Cb 0.71 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 1h29 h VAL 350 CO -0.07 0.14 -0.50 1.23 0.02 0.00 0.00 177.57 178.39 1h29 h GLY 351 N -0.18 -1.12 1.70 2.17 0.00 -1.44 0.23 103.07 104.44 1h29 h GLY 351 Ca 0.01 0.71 -0.04 0.00 0.00 0.00 0.00 47.33 48.00 1h29 h GLY 351 CO -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 176.54 176.30 1h29 h HIS 353 N 0.36 0.93 -0.76 0.00 3.86 -0.91 -2.67 115.15 115.95 1h29 h HIS 353 Ca 0.08 -0.10 0.08 0.00 -1.16 0.00 0.00 60.37 59.27 1h29 h HIS 353 Cb 0.29 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 1h29 h HIS 353 CO 0.01 0.78 0.50 -0.91 0.86 0.00 0.00 177.93 179.17 1h29 h ASN 354 N 0.80 0.66 1.66 2.45 -0.26 -0.15 -1.32 115.58 119.41 1h29 h ASN 354 Ca 0.18 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 1h29 h ASN 354 Cb 0.30 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1h29 h ASN 354 CO -0.00 0.41 0.00 0.71 -1.06 0.00 0.00 177.43 177.48 1h29 h THR 355 N 0.74 0.00 -0.11 2.81 1.35 -1.29 -3.08 112.91 113.33 1h29 h THR 355 Ca 0.34 -0.76 -0.22 0.00 -0.55 0.00 0.00 66.41 65.23 1h29 h THR 355 Cb 0.37 1.74 0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1h29 h THR 355 CO -0.12 0.00 -0.81 0.03 -0.25 0.00 0.00 175.52 174.37 1h29 h ARG 356 N 0.00 0.67 0.00 4.72 2.47 -0.97 -2.97 114.38 118.29 1h29 h ARG 356 Ca 0.00 -0.57 0.00 0.00 -1.26 0.00 0.00 59.98 58.15 1h29 h ARG 356 Cb 0.83 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1h29 h ARG 356 CO 0.00 1.18 0.00 0.28 0.56 0.00 0.00 179.97 181.99 1h29 n VAL 357 N -3.89 0.01 0.25 2.04 0.31 -0.77 -2.38 118.33 113.91 1h29 n VAL 357 Ca -0.07 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.37 1h29 n VAL 357 Cb 0.76 -0.81 -0.07 0.00 -0.91 0.00 0.00 33.84 32.81 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 -1.00 0.50 -1.96 5.55 6.02 -1.12 -2.50 117.38 122.86 1h29 n GLN 358 Ca 0.09 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.61 1h29 n GLN 358 Cb 0.04 -1.61 -0.02 0.00 1.02 0.00 0.00 30.24 29.67 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 -3.36 4.24 0.52 -1.09 -2.07 -1.00 -4.54 119.66 112.37 1h29 s GLN 359 Ca -0.02 2.37 0.29 0.00 -1.82 0.00 0.00 55.36 56.18 1h29 s GLN 359 Cb 0.13 -3.08 1.43 0.00 -1.09 0.00 0.00 33.01 30.40 1h29 s GLN 359 CO 0.85 -0.45 1.91 -1.35 -1.32 0.00 0.00 175.29 174.93 1h29 h PRO 360 N 4.77 0.04 0.00 9.60 0.11 -1.89 0.40 132.00 145.02 1h29 h PRO 360 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h29 h PRO 360 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h29 h PRO 360 CO 0.76 0.03 0.00 1.79 -0.21 0.00 0.00 178.00 180.37 1h29 h THR 361 N 0.04 0.00 0.00 -1.15 1.35 -1.90 -3.28 112.91 107.98 1h29 h THR 361 Ca 0.39 -0.15 -0.24 0.00 -0.55 0.00 0.00 66.41 65.86 1h29 h THR 361 Cb 1.51 0.99 -0.04 0.00 -1.73 0.00 0.00 68.15 68.87 1h29 h THR 361 CO -0.02 0.00 -1.90 0.00 -0.25 0.00 0.00 175.52 173.35 1h29 n ALA 363 N -2.92 -0.88 0.00 0.00 0.00 -0.88 -1.37 120.51 114.46 1h29 n ALA 363 Ca -0.27 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1h29 n ALA 363 Cb 0.81 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1h29 n ALA 363 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h29 n GLY 364 N 0.54 2.17 0.08 0.00 0.00 -1.26 -4.52 105.19 102.20 1h29 n GLY 364 Ca 0.12 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1h29 n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h29 h HIS 366 N -0.74 0.00 -0.08 0.00 -0.00 -1.45 -1.19 115.15 111.68 1h29 h HIS 366 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1h29 h HIS 366 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.05 1h29 h HIS 366 CO 0.15 0.05 0.00 0.41 -0.00 0.00 0.00 177.93 178.54 1h29 n GLY 367 N 0.79 -0.58 0.84 2.45 0.00 -1.26 -4.22 105.19 103.21 1h29 n GLY 367 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.30 0.00 -2.57 1.61 7.35 -0.61 -4.88 117.46 118.07 1h29 n PHE 368 Ca 0.07 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.36 1h29 n PHE 368 Cb 0.10 0.03 -0.05 0.00 0.35 0.00 0.00 39.48 39.91 1h29 n PHE 368 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1h29 s ILE 369 N -1.98 3.70 0.04 -2.13 -4.36 -0.55 -5.07 121.20 110.85 1h29 s ILE 369 Ca 0.00 1.62 -0.04 0.00 -0.26 0.00 0.00 60.65 61.97 1h29 s ILE 369 Cb 0.00 -4.00 -0.05 0.00 1.25 0.00 0.00 42.46 39.67 1h29 s ILE 369 CO 0.00 0.32 0.26 -0.54 0.24 0.00 0.00 174.94 175.22 1h29 s LYS 370 N -1.60 3.54 0.33 0.37 3.01 -1.26 -4.90 119.74 119.22 1h29 s LYS 370 Ca 0.46 -0.19 -0.29 0.00 -1.01 0.00 0.00 55.97 54.94 1h29 s LYS 370 Cb -0.28 -3.03 -0.12 0.00 -1.01 0.00 0.00 37.83 33.39 1h29 s LYS 370 CO 0.36 0.61 1.46 -2.30 0.51 0.00 0.00 175.35 175.98 1h29 n PRO 371 N 0.73 2.47 0.10 -1.68 -0.02 -1.26 -4.91 135.00 130.43 1h29 n PRO 371 Ca -0.08 0.87 -0.23 0.00 -2.02 0.00 0.00 63.50 62.04 1h29 n PRO 371 Cb 0.52 -2.57 -0.15 0.00 -0.02 0.00 0.00 33.50 31.28 1h29 n PRO 371 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1h29 h THR 372 N 2.96 1.39 -6.56 3.45 1.35 -2.06 -3.48 112.91 109.96 1h29 h THR 372 Ca -0.48 -2.62 -0.52 0.00 -0.55 0.00 0.00 66.41 62.24 1h29 h THR 372 Cb 1.25 3.12 -0.20 0.00 -1.73 0.00 0.00 68.15 70.59 1h29 h THR 372 CO 0.69 0.76 -0.78 0.29 -0.25 0.00 0.00 175.52 176.23 1h29 n LYS 373 N -3.92 -3.11 -1.54 4.72 5.02 -1.26 -4.96 118.16 113.11 1h29 n LYS 373 Ca -0.15 0.37 -0.35 0.00 -2.02 0.00 0.00 58.31 56.16 1h29 n LYS 373 Cb 0.97 -5.10 0.08 0.00 -0.02 0.00 0.00 35.03 30.97 1h29 n LYS 373 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1h29 s SER 374 N -3.17 4.40 0.24 4.39 1.04 -1.26 -4.86 113.70 114.49 1h29 s SER 374 Ca 0.70 2.35 -0.06 0.00 0.48 0.00 0.00 55.95 59.42 1h29 s SER 374 Cb -0.38 -2.59 0.44 0.00 0.10 0.00 0.00 66.02 63.60 1h29 s SER 374 CO 0.86 -2.12 1.67 0.44 0.98 0.00 0.00 173.24 175.07 1h29 h ASP 375 N -0.08 -0.07 -0.71 7.02 3.32 -2.01 -0.28 116.42 123.61 1h29 h ASP 375 Ca -0.48 0.16 0.12 0.00 0.02 0.00 0.00 57.03 56.85 1h29 h ASP 375 Cb 1.30 0.23 -0.09 0.00 0.22 0.00 0.00 39.33 40.99 1h29 h ASP 375 CO 0.51 -0.07 0.28 0.00 -1.72 0.00 0.00 179.24 178.24 1h29 h ALA 376 N 1.62 0.97 -0.38 3.45 0.00 -1.97 -1.49 119.26 121.46 1h29 h ALA 376 Ca 0.41 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.46 1h29 h ALA 376 Cb 0.70 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1h29 h ALA 376 CO -0.54 -0.19 0.13 1.96 0.00 0.00 0.00 179.25 180.61 1h29 h GLN 377 N 0.45 0.27 -0.73 0.00 1.08 -1.40 -1.74 115.11 113.04 1h29 h GLN 377 Ca 0.38 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.62 1h29 h GLN 377 Cb 0.53 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.84 1h29 h GLN 377 CO -0.36 0.18 0.42 0.00 -0.95 0.00 0.00 178.83 178.11 1h29 n GLY 379 N -1.30 -0.20 0.16 0.00 0.00 -0.62 -0.83 105.19 102.41 1h29 n GLY 379 Ca 0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 1h29 n GLY 379 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1h29 h VAL 380 N 0.00 1.36 0.04 1.61 2.07 -1.08 -3.39 116.25 116.86 1h29 h VAL 380 Ca 0.00 -1.53 -0.34 0.00 0.82 0.00 0.00 66.70 65.65 1h29 h VAL 380 Cb 0.01 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1h29 h VAL 380 CO 0.00 0.46 -1.89 0.00 0.02 0.00 0.00 177.57 176.16 1h29 s HIS 382 N -2.47 2.96 0.06 0.00 3.76 -0.01 -4.13 115.29 115.45 1h29 s HIS 382 Ca -0.29 0.45 0.04 0.00 -0.15 0.00 0.00 55.06 55.11 1h29 s HIS 382 Cb 0.08 -3.88 -0.03 0.00 1.11 0.00 0.00 32.58 29.87 1h29 s HIS 382 CO 0.63 -1.03 -0.12 0.14 -0.85 0.00 0.00 174.74 173.51 1h29 s VAL 383 N 3.66 0.92 0.44 -0.90 -7.23 -0.31 -4.26 120.40 112.72 1h29 s VAL 383 Ca 0.37 -1.23 -0.26 0.00 -1.81 0.00 0.00 61.98 59.05 1h29 s VAL 383 Cb -0.11 -0.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.83 1h29 s VAL 383 CO 0.24 -0.28 1.45 0.00 -0.31 0.00 0.00 175.10 176.20 1h29 s ALA 384 N -1.32 3.29 0.24 1.32 0.00 -1.26 -3.79 121.76 120.25 1h29 s ALA 384 Ca -0.05 1.51 -0.06 0.00 0.00 0.00 0.00 51.96 53.36 1h29 s ALA 384 Cb -0.10 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 1h29 s ALA 384 CO 0.02 -1.21 0.52 0.00 0.00 0.00 0.00 175.76 175.09 1h29 s ALA 385 N -1.18 3.64 0.20 0.00 0.00 -1.26 -4.87 121.76 118.29 1h29 s ALA 385 Ca 0.60 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 1h29 s ALA 385 Cb -0.45 -2.31 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 1h29 s ALA 385 CO 0.58 0.41 1.23 -1.25 0.00 0.00 0.00 175.76 176.74 1h29 s PRO 386 N -3.15 4.46 0.00 0.00 0.04 -1.26 -3.75 135.00 131.34 1h29 s PRO 386 Ca 0.44 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1h29 s PRO 386 Cb -0.11 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1h29 s PRO 386 CO 0.26 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1h29 n GLY 387 N 2.12 0.84 3.33 0.56 0.00 -1.26 -4.98 105.19 105.80 1h29 n GLY 387 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1h29 n GLY 387 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h29 s PHE 388 N -2.61 2.34 0.78 1.61 0.08 -1.25 -5.15 117.98 113.80 1h29 s PHE 388 Ca 0.00 -0.42 -0.09 0.00 0.12 0.00 0.00 56.93 56.55 1h29 s PHE 388 Cb 0.00 -1.47 0.17 0.00 -0.57 0.00 0.00 43.02 41.15 1h29 s PHE 388 CO 0.00 0.03 1.07 -3.47 -0.10 0.00 0.00 175.22 172.75 1h29 n ASP 389 N 2.20 0.57 0.00 1.36 -0.08 -1.26 -4.56 116.55 114.78 1h29 n ASP 389 Ca -0.16 -1.69 0.14 0.00 -1.51 0.00 0.00 54.79 51.57 1h29 n ASP 389 Cb 0.51 -0.77 0.81 0.00 2.34 0.00 0.00 41.12 44.02 1h29 n ASP 389 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1h29 n ALA 390 N -3.41 2.52 -0.11 -1.67 0.00 -1.26 -3.81 120.51 112.78 1h29 n ALA 390 Ca -0.17 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 1h29 n ALA 390 Cb 0.52 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.04 0.67 -1.80 0.00 5.02 -1.26 -4.99 118.16 114.77 1h29 n LYS 391 Ca 0.20 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 1h29 n LYS 391 Cb 0.12 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1h29 n LYS 391 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1h29 s GLN 392 N -2.50 4.15 -0.29 1.97 -0.21 -1.25 -5.22 119.66 116.31 1h29 s GLN 392 Ca -0.20 2.52 0.10 0.00 0.02 0.00 0.00 55.36 57.81 1h29 s GLN 392 Cb 0.07 -3.16 0.57 0.00 1.00 0.00 0.00 33.01 31.49 1h29 s GLN 392 CO 0.74 -0.72 1.57 1.33 -2.12 0.00 0.00 175.29 176.09 1h29 n VAL 393 N 4.07 2.65 0.00 1.09 0.24 -1.26 -4.94 118.33 120.18 1h29 n VAL 393 Ca 0.15 -2.28 0.00 0.00 -2.04 0.00 0.00 64.34 60.17 1h29 n VAL 393 Cb 0.37 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 1h29 n VAL 393 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1h29 n LEU 398 N -0.87 0.00 0.01 1.34 0.00 -1.26 -5.04 117.00 111.18 1h29 n LEU 398 Ca 0.36 0.00 0.13 0.00 0.00 0.00 0.00 56.01 56.50 1h29 n LEU 398 Cb 1.15 0.00 0.42 0.00 0.00 0.00 0.00 43.42 44.99 1h29 n LEU 398 CO 0.28 0.00 0.69 -0.11 0.00 0.00 0.00 177.39 178.25 1h29 n LEU 399 N 0.00 0.29 -0.68 -1.96 7.94 -1.26 -4.02 117.00 117.31 1h29 n LEU 399 Ca 0.00 0.25 0.06 0.00 -1.11 0.00 0.00 56.01 55.21 1h29 n LEU 399 Cb 0.00 -0.36 0.18 0.00 0.53 0.00 0.00 43.42 43.76 1h29 n LEU 399 CO 0.00 0.05 0.65 0.59 -1.11 0.00 0.00 177.39 177.57 1h29 n ASN 400 N -1.54 1.97 -4.78 1.96 3.02 -1.26 -4.90 115.26 109.73 1h29 n ASN 400 Ca 0.06 -1.98 -0.39 0.00 -0.03 0.00 0.00 54.58 52.24 1h29 n ASN 400 Cb 0.34 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.03 4.49 0.52 3.41 1.43 -1.26 -5.03 118.68 121.21 1h29 s LEU 401 Ca 0.25 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.47 1h29 s LEU 401 Cb 0.13 -3.02 -0.08 0.00 0.03 0.00 0.00 46.19 43.24 1h29 s LEU 401 CO 0.17 0.17 0.81 1.17 0.23 0.00 0.00 176.35 178.90 1h29 n LYS 402 N 2.20 0.89 -0.30 1.70 3.00 -1.26 -4.57 118.16 119.83 1h29 n LYS 402 Ca -0.07 0.33 0.15 0.00 -0.00 0.00 0.00 58.31 58.72 1h29 n LYS 402 Cb 0.50 -1.93 0.29 0.00 0.00 0.00 0.00 35.03 33.89 1h29 n LYS 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1h29 n ALA 403 N -1.25 0.50 -0.06 3.14 0.00 -1.26 -0.21 120.51 121.36 1h29 n ALA 403 Ca 0.12 0.93 -0.10 0.00 0.00 0.00 0.00 53.44 54.38 1h29 n ALA 403 Cb 0.44 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 1h29 n ALA 403 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1h29 h GLU 404 N 0.00 0.32 -0.73 0.00 -0.00 -1.99 -2.91 114.58 109.28 1h29 h GLU 404 Ca 0.56 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.36 59.84 1h29 h GLU 404 Cb 1.20 -0.06 -0.03 0.00 -0.00 0.00 0.00 28.75 29.85 1h29 h GLU 404 CO -0.80 0.30 0.33 1.96 -0.00 0.00 0.00 179.01 180.80 1h29 h GLN 405 N 0.26 1.06 -0.06 1.06 4.20 -0.90 -2.59 115.11 118.12 1h29 h GLN 405 Ca 0.08 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1h29 h GLN 405 Cb 0.08 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1h29 h GLN 405 CO -0.01 0.83 -0.29 -0.09 -0.67 0.00 0.00 178.83 178.60 1h29 h ARG 406 N 1.05 0.12 -0.86 1.46 2.43 -1.26 -2.70 114.38 114.61 1h29 h ARG 406 Ca 0.25 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1h29 h ARG 406 Cb 0.14 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1h29 h ARG 406 CO -0.03 0.40 0.46 0.77 -1.51 0.00 0.00 179.97 180.06 1h29 h SER 407 N 0.11 1.08 0.30 -3.80 0.02 -1.26 -2.86 113.55 107.14 1h29 h SER 407 Ca 0.02 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1h29 h SER 407 Cb 0.57 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1h29 h SER 407 CO 0.04 0.88 -0.14 1.56 -1.14 0.00 0.00 176.83 178.03 1h29 h GLN 408 N 1.20 -0.39 -0.50 3.45 4.20 -1.42 0.15 115.11 121.81 1h29 h GLN 408 Ca 0.30 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.14 1h29 h GLN 408 Cb 0.05 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 27.82 1h29 h GLN 408 CO -0.05 -0.13 -0.11 0.28 -0.67 0.00 0.00 178.83 178.16 1h29 h VAL 409 N -0.61 0.51 -0.98 -0.54 2.07 -1.67 -2.20 116.25 112.84 1h29 h VAL 409 Ca -0.04 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1h29 h VAL 409 Cb 0.44 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1h29 h VAL 409 CO 0.07 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.30 1h29 h ALA 410 N 1.49 1.33 0.38 1.67 0.00 -1.24 -1.62 119.26 121.27 1h29 h ALA 410 Ca 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1h29 h ALA 410 Cb 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1h29 h ALA 410 CO -0.50 0.48 -0.18 0.00 0.00 0.00 0.00 179.25 179.05 1h29 h ALA 411 N 1.42 -0.51 -0.33 0.00 0.00 -0.51 0.11 119.26 119.45 1h29 h ALA 411 Ca 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1h29 h ALA 411 Cb 0.07 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1h29 h ALA 411 CO -0.15 -0.75 0.16 0.66 0.00 0.00 0.00 179.25 179.18 1h29 h SER 412 N -0.58 0.40 -0.65 0.00 4.64 -1.20 -0.08 113.55 116.08 1h29 h SER 412 Ca -0.05 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 1h29 h SER 412 Cb 0.43 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 1h29 h SER 412 CO 0.09 0.34 0.19 0.24 -0.87 0.00 0.00 176.83 176.82 1h29 h MET 413 N 0.45 1.01 -0.50 4.77 2.86 -0.96 0.82 114.93 123.39 1h29 h MET 413 Ca 0.12 -0.22 -0.11 0.00 -2.06 0.00 0.00 59.70 57.42 1h29 h MET 413 Cb 0.04 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1h29 h MET 413 CO -0.02 0.89 -0.14 -0.07 1.06 0.00 0.00 176.91 178.63 1h29 h LEU 414 N 0.94 0.95 0.00 1.22 3.38 0.06 -3.15 115.31 118.71 1h29 h LEU 414 Ca 0.21 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1h29 h LEU 414 Cb 0.31 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1h29 h LEU 414 CO -0.01 1.08 -0.29 0.77 0.09 0.00 0.00 178.44 180.08 1h29 h SER 415 N 0.84 0.00 1.43 -0.43 4.64 -0.94 -3.23 113.55 115.86 1h29 h SER 415 Ca 0.13 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1h29 h SER 415 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1h29 h SER 415 CO 0.05 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1h29 h ALA 416 N 2.12 1.00 -2.61 5.18 0.00 -0.81 -3.47 119.26 120.67 1h29 h ALA 416 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1h29 h ALA 416 Cb 0.94 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.82 1h29 h ALA 416 CO 0.00 0.00 0.43 -0.98 0.00 0.00 0.00 179.25 178.70 1h29 s ARG 417 N -3.23 3.15 0.24 0.00 1.70 -1.20 -4.94 118.95 114.68 1h29 s ARG 417 Ca 0.07 1.61 -0.15 0.00 -0.47 0.00 0.00 55.73 56.80 1h29 s ARG 417 Cb 0.09 -1.98 -0.10 0.00 -0.57 0.00 0.00 34.95 32.39 1h29 s ARG 417 CO 0.57 -1.01 0.11 -2.30 -1.08 0.00 0.00 175.30 171.59 1h29 n PRO 418 N -1.60 0.00 -2.10 3.89 -0.02 -1.26 -4.95 135.00 128.97 1h29 n PRO 418 Ca 0.12 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.22 1h29 n PRO 418 Cb 0.51 -0.66 0.01 0.00 -0.02 0.00 0.00 33.50 33.34 1h29 n PRO 418 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1h29 s GLN 419 N -0.66 3.62 -0.23 -0.52 2.00 -1.26 -4.93 119.66 117.68 1h29 s GLN 419 Ca 0.39 1.95 -0.40 0.00 -2.00 0.00 0.00 55.36 55.31 1h29 s GLN 419 Cb -0.45 -2.41 -0.15 0.00 0.80 0.00 0.00 33.01 30.79 1h29 s GLN 419 CO 0.40 -0.72 1.72 -0.35 -0.50 0.00 0.00 175.29 175.84 1h29 n PRO 420 N -0.55 1.21 0.02 1.67 -0.04 -1.26 -4.85 135.00 131.20 1h29 n PRO 420 Ca 0.08 0.44 -0.05 0.00 -0.04 0.00 0.00 63.50 63.93 1h29 n PRO 420 Cb 0.47 -2.13 0.17 0.00 -0.04 0.00 0.00 33.50 31.96 1h29 n PRO 420 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1h29 h LYS 421 N 7.08 0.47 0.00 0.54 1.63 -1.79 -3.49 116.57 121.02 1h29 h LYS 421 Ca -0.47 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.13 1h29 h LYS 421 Cb 1.32 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1h29 h LYS 421 CO 0.94 0.75 0.00 0.41 -3.45 0.00 0.00 179.45 178.10 1h29 n GLY 422 N -0.21 -0.49 3.85 5.01 0.00 -1.26 -4.88 105.19 107.20 1h29 n GLY 422 Ca -0.01 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 1h29 n GLY 422 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h29 s THR 423 N 0.00 1.65 0.62 2.61 2.01 -1.26 -4.22 115.64 117.05 1h29 s THR 423 Ca 0.00 -1.64 -0.19 0.00 0.31 0.00 0.00 61.69 60.17 1h29 s THR 423 Cb 0.00 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1h29 s THR 423 CO 0.00 0.00 1.31 0.49 -0.69 0.00 0.00 174.62 175.73 1h29 n PHE 424 N -1.57 2.02 -1.58 4.92 3.72 -1.04 -4.93 117.46 119.00 1h29 n PHE 424 Ca -0.06 0.42 -0.43 0.00 -0.05 0.00 0.00 57.45 57.34 1h29 n PHE 424 Cb 0.65 -2.29 -0.03 0.00 -0.94 0.00 0.00 39.48 36.86 1h29 n PHE 424 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1h29 n ASP 425 N -1.63 3.05 0.25 4.37 -0.08 -1.26 -4.81 116.55 116.44 1h29 n ASP 425 Ca 0.14 0.14 0.17 0.00 -1.51 0.00 0.00 54.79 53.73 1h29 n ASP 425 Cb 0.47 -1.53 0.89 0.00 2.34 0.00 0.00 41.12 43.29 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 15.34 0.00 -2.32 -2.67 3.38 -1.94 0.36 115.31 127.46 1h29 h LEU 426 Ca -0.38 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1h29 h LEU 426 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1h29 h LEU 426 CO 0.99 0.00 -0.04 0.78 0.09 0.00 0.00 178.44 180.26 1h29 h ASN 427 N 0.00 0.00 -0.41 -0.43 4.21 -1.99 -2.16 115.58 114.80 1h29 h ASN 427 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1h29 h ASN 427 Cb 0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1h29 h ASN 427 CO 0.00 0.04 0.00 0.47 -1.29 0.00 0.00 177.43 176.65 1h29 n ASP 428 N -3.42 2.37 -4.39 5.81 8.00 0.12 -4.82 116.55 120.21 1h29 n ASP 428 Ca -0.02 -1.96 -0.31 0.00 0.71 0.00 0.00 54.79 53.21 1h29 n ASP 428 Cb 0.16 -0.27 -0.14 0.00 -0.02 0.00 0.00 41.12 40.85 1h29 n ASP 428 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1h29 s ILE 429 N -1.46 2.46 0.31 0.53 -4.36 -0.81 -5.03 121.20 112.84 1h29 s ILE 429 Ca 0.31 -1.21 -0.28 0.00 -0.26 0.00 0.00 60.65 59.21 1h29 s ILE 429 Cb 0.16 -1.98 -0.13 0.00 1.25 0.00 0.00 42.46 41.77 1h29 s ILE 429 CO 0.22 0.41 1.19 -0.81 0.24 0.00 0.00 174.94 176.18 1h29 n PRO 430 N 1.83 1.81 -0.02 0.37 -0.04 -1.26 -4.89 135.00 132.81 1h29 n PRO 430 Ca -0.17 0.64 -0.16 0.00 -0.04 0.00 0.00 63.50 63.77 1h29 n PRO 430 Cb 0.52 -2.14 -0.11 0.00 -0.04 0.00 0.00 33.50 31.73 1h29 n PRO 430 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1h29 h GLU 431 N 2.45 0.32 -6.47 0.54 4.81 -1.94 -3.24 114.58 111.04 1h29 h GLU 431 Ca -0.43 -0.32 -0.67 0.00 -0.13 0.00 0.00 59.36 57.80 1h29 h GLU 431 Cb 1.31 0.08 -0.29 0.00 0.63 0.00 0.00 28.75 30.48 1h29 h GLU 431 CO 0.63 1.00 -0.88 0.15 -0.73 0.00 0.00 179.01 179.18 1h29 s LYS 432 N -3.30 1.95 -0.10 1.92 1.02 -1.26 -1.78 119.74 118.19 1h29 s LYS 432 Ca -0.14 -0.91 0.03 0.00 0.02 0.00 0.00 55.97 54.97 1h29 s LYS 432 Cb 0.03 -1.92 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1h29 s LYS 432 CO 0.78 0.52 -0.19 0.08 -0.92 0.00 0.00 175.35 175.63 1h29 s VAL 433 N -0.61 1.71 -0.32 3.17 1.01 -0.68 -4.91 120.40 119.77 1h29 s VAL 433 Ca 0.10 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 1h29 s VAL 433 Cb -0.09 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1h29 s VAL 433 CO -0.01 0.48 0.49 -0.69 0.00 0.00 0.00 175.10 175.38 1h29 s VAL 434 N 0.70 5.05 -0.61 2.92 1.01 -1.26 -1.40 120.40 126.81 1h29 s VAL 434 Ca -0.12 0.47 -0.14 0.00 0.00 0.00 0.00 61.98 62.19 1h29 s VAL 434 Cb -0.16 -3.89 0.15 0.00 0.00 0.00 0.00 36.38 32.48 1h29 s VAL 434 CO 0.03 -0.10 0.54 -0.63 0.00 0.00 0.00 175.10 174.94 1h29 s ILE 435 N 2.32 5.09 0.00 2.22 1.01 0.16 -4.86 121.20 127.13 1h29 s ILE 435 Ca 0.18 -1.86 0.00 0.00 0.00 0.00 0.00 60.65 58.98 1h29 s ILE 435 Cb -0.16 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1h29 s ILE 435 CO 0.12 -0.90 0.37 0.61 0.00 0.00 0.00 174.94 175.15 1h29 n GLY 436 N 4.79 -0.76 0.29 6.18 0.00 -1.26 -1.73 105.19 112.71 1h29 n GLY 436 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1h29 n GLY 436 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h29 h SER 437 N 0.00 -0.52 -0.64 1.61 4.64 -2.01 -1.56 113.55 115.08 1h29 h SER 437 Ca 0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1h29 h SER 437 Cb 0.67 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1h29 h SER 437 CO 0.00 -0.23 0.00 2.30 -0.87 0.00 0.00 176.83 178.03 1h29 n ILE 438 N -5.43 1.59 -1.67 0.95 -5.35 -1.26 -5.01 119.36 103.18 1h29 n ILE 438 Ca 0.14 -1.17 -0.45 0.00 -0.27 0.00 0.00 62.75 61.01 1h29 n ILE 438 Cb 0.48 0.23 -0.04 0.00 -1.74 0.00 0.00 39.64 38.57 1h29 n ILE 438 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1h29 n ALA 439 N 1.15 1.43 0.05 -1.28 0.00 -0.59 -4.77 120.51 116.50 1h29 n ALA 439 Ca 0.24 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1h29 n ALA 439 Cb 0.80 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1h29 n ALA 439 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1h29 n LYS 440 N 6.55 0.00 0.12 0.00 4.81 -1.26 -4.88 118.16 123.50 1h29 n LYS 440 Ca 0.20 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.66 1h29 n LYS 440 Cb 0.35 0.00 0.35 0.00 0.02 0.00 0.00 35.03 35.75 1h29 n LYS 440 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1h29 h GLU 441 N 0.00 0.21 -5.19 1.64 4.57 -2.00 -3.46 114.58 110.36 1h29 h GLU 441 Ca 0.00 -0.06 -0.60 0.00 -1.18 0.00 0.00 59.36 57.52 1h29 h GLU 441 Cb 0.00 -0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 28.44 1h29 h GLU 441 CO 0.00 0.43 -0.54 0.71 -1.18 0.00 0.00 179.01 178.43 1h29 s TYR 442 N -4.54 1.91 0.63 0.92 1.51 -1.26 -4.95 117.35 111.58 1h29 s TYR 442 Ca -0.05 -1.06 -0.15 0.00 -1.01 0.00 0.00 57.07 54.81 1h29 s TYR 442 Cb 0.15 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.57 1h29 s TYR 442 CO 0.74 0.02 1.08 -0.65 -1.11 0.00 0.00 175.55 175.63 1h29 s GLN 443 N -3.80 3.03 0.40 -0.62 -0.21 -0.36 -4.82 119.66 113.29 1h29 s GLN 443 Ca 0.20 1.27 -0.24 0.00 0.02 0.00 0.00 55.36 56.62 1h29 s GLN 443 Cb 0.04 -1.99 -0.12 0.00 1.00 0.00 0.00 33.01 31.94 1h29 s GLN 443 CO 0.11 -1.05 0.71 -2.30 -2.12 0.00 0.00 175.29 170.64 1h29 n PRO 444 N -2.31 0.81 -2.76 2.91 -0.02 -1.26 -4.42 135.00 127.95 1h29 n PRO 444 Ca 0.09 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 1h29 n PRO 444 Cb 0.52 -1.65 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 1h29 n PRO 444 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1h29 s SER 445 N -0.87 7.31 -0.28 2.55 0.15 -0.70 -4.55 113.70 117.31 1h29 s SER 445 Ca 0.63 1.59 -0.09 0.00 0.70 0.00 0.00 55.95 58.77 1h29 s SER 445 Cb -0.61 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.12 1h29 s SER 445 CO 0.58 -0.25 0.14 -0.70 1.20 0.00 0.00 173.24 174.21 1h29 s GLU 446 N 1.02 3.69 -0.15 5.44 2.12 -1.25 0.36 118.70 129.93 1h29 s GLU 446 Ca 0.50 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.35 1h29 s GLU 446 Cb -0.20 -3.52 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 1h29 s GLU 446 CO 0.26 -0.24 -0.14 0.12 -0.54 0.00 0.00 175.26 174.71 1h29 s PHE 447 N 1.67 2.79 -1.58 5.30 5.36 -0.50 -4.98 117.98 126.05 1h29 s PHE 447 Ca 0.06 -0.91 -0.10 0.00 -0.96 0.00 0.00 56.93 55.03 1h29 s PHE 447 Cb -0.16 -1.88 -0.05 0.00 -0.34 0.00 0.00 43.02 40.59 1h29 s PHE 447 CO 0.07 -0.39 2.83 -0.35 -1.46 0.00 0.00 175.22 175.92 1h29 n PRO 448 N 3.90 3.75 0.00 10.12 -0.04 -1.26 -1.69 135.00 149.77 1h29 n PRO 448 Ca -0.19 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1h29 n PRO 448 Cb 0.52 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 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 3.56 0.00 -0.15 0.54 -0.00 -1.05 -1.65 115.22 116.47 1h29 n HIS 449 Ca 0.74 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.85 1h29 n HIS 449 Cb 0.25 -0.36 0.01 0.00 -0.12 0.00 0.00 29.99 29.77 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 0.61 -0.48 1.57 2.43 -1.38 -1.86 114.38 115.28 1h29 h ARG 450 Ca 0.00 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.21 1h29 h ARG 450 Cb 0.00 -0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.32 1h29 h ARG 450 CO 0.00 0.46 -0.20 -0.22 -1.51 0.00 0.00 179.97 178.49 1h29 h LYS 451 N 0.59 -0.09 -0.39 0.20 3.64 -1.70 -1.35 116.57 117.47 1h29 h LYS 451 Ca 0.16 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1h29 h LYS 451 Cb 0.01 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1h29 h LYS 451 CO -0.03 -0.06 0.18 0.82 -2.27 0.00 0.00 179.45 178.09 1h29 h ILE 452 N -0.10 1.18 -0.22 2.00 2.04 -0.68 -0.73 117.51 121.00 1h29 h ILE 452 Ca 0.23 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1h29 h ILE 452 Cb 0.45 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1h29 h ILE 452 CO -0.55 0.20 0.09 0.58 0.00 0.00 0.00 178.15 178.46 1h29 h VAL 453 N 0.49 0.96 -0.78 1.67 2.07 -1.05 0.18 116.25 119.79 1h29 h VAL 453 Ca 0.13 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.69 1h29 h VAL 453 Cb 0.14 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.59 1h29 h VAL 453 CO -0.01 0.04 0.41 0.11 0.02 0.00 0.00 177.57 178.13 1h29 h LYS 454 N 0.19 0.64 -0.70 1.57 1.57 -0.97 -0.47 116.57 118.40 1h29 h LYS 454 Ca 0.09 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1h29 h LYS 454 Cb 0.05 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1h29 h LYS 454 CO -0.09 0.42 0.21 1.15 -0.57 0.00 0.00 179.45 180.57 1h29 h THR 455 N 0.66 1.26 -0.18 -0.16 2.02 0.07 0.08 112.91 116.66 1h29 h THR 455 Ca 0.39 -0.91 0.02 0.00 0.77 0.00 0.00 66.41 66.68 1h29 h THR 455 Cb 0.45 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1h29 h THR 455 CO -0.29 0.35 0.07 -0.07 0.37 0.00 0.00 175.52 175.95 1h29 h LEU 456 N 1.04 0.09 -1.25 2.58 3.38 0.23 0.84 115.31 122.21 1h29 h LEU 456 Ca 0.23 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1h29 h LEU 456 Cb 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1h29 h LEU 456 CO -0.00 0.08 0.28 0.40 0.09 0.00 0.00 178.44 179.28 1h29 h ILE 457 N 0.16 1.19 0.00 1.22 2.04 -0.83 -1.69 117.51 119.60 1h29 h ILE 457 Ca 0.08 -0.51 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 1h29 h ILE 457 Cb 0.04 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1h29 h ILE 457 CO -0.07 0.22 -0.44 0.00 0.00 0.00 0.00 178.15 177.86 1h29 h ALA 458 N 1.51 1.12 0.08 1.87 0.00 -0.37 -2.26 119.26 121.22 1h29 h ALA 458 Ca 0.20 -0.40 -0.27 0.00 0.00 0.00 0.00 54.91 54.44 1h29 h ALA 458 Cb 0.08 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1h29 h ALA 458 CO -0.03 0.55 -1.15 0.78 0.00 0.00 0.00 179.25 179.40 1h29 h GLY 459 N 1.63 0.56 1.14 0.00 0.00 0.01 -3.09 103.07 103.33 1h29 h GLY 459 Ca -0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 47.33 46.17 1h29 h GLY 459 CO 0.06 1.01 0.51 -2.22 0.00 0.00 0.00 176.54 175.89 1h29 h ILE 460 N 0.23 1.23 0.00 2.60 2.04 -1.30 -3.47 117.51 118.85 1h29 h ILE 460 Ca -0.14 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1h29 h ILE 460 Cb 1.82 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1h29 h ILE 460 CO 0.21 0.24 0.00 0.61 0.00 0.00 0.00 178.15 179.21 1h29 n GLY 461 N -1.28 3.19 1.12 5.37 0.00 -0.86 -2.23 105.19 110.50 1h29 n GLY 461 Ca 0.09 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 2.42 -1.68 1.61 -0.58 -1.26 -4.95 120.64 130.20 1h29 n GLU 462 Ca 0.00 -2.19 -0.52 0.00 -0.42 0.00 0.00 57.16 54.04 1h29 n GLU 462 Cb 0.00 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.32 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 1.31 3.02 0.16 1.62 2.03 -0.95 -4.86 116.55 118.88 1h29 n ASP 463 Ca 0.20 0.97 0.04 0.00 0.52 0.00 0.00 54.79 56.52 1h29 n ASP 463 Cb 0.54 -1.29 0.14 0.00 -0.72 0.00 0.00 41.12 39.79 1h29 n ASP 463 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1h29 h LYS 464 N 8.78 0.00 0.18 -0.67 1.57 -1.92 -2.72 116.57 121.79 1h29 h LYS 464 Ca -0.47 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1h29 h LYS 464 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1h29 h LYS 464 CO 0.96 0.44 -0.09 1.25 -0.57 0.00 0.00 179.45 181.45 1h29 h LEU 465 N 0.00 -0.20 -0.26 2.94 5.85 -1.99 -1.66 115.31 119.99 1h29 h LEU 465 Ca -0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1h29 h LEU 465 Cb 1.21 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1h29 h LEU 465 CO 0.06 -0.13 0.08 0.00 -0.34 0.00 0.00 178.44 178.11 1h29 h ALA 466 N 0.57 0.34 -0.29 1.25 0.00 -1.95 0.38 119.26 119.56 1h29 h ALA 466 Ca -0.02 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1h29 h ALA 466 Cb 0.19 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1h29 h ALA 466 CO 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 1h29 h ALA 467 N 0.91 0.21 0.02 0.00 0.00 -1.47 0.54 119.26 119.48 1h29 h ALA 467 Ca 0.08 0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 1h29 h ALA 467 Cb 0.24 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1h29 h ALA 467 CO -0.00 -0.45 -1.01 1.15 0.00 0.00 0.00 179.25 178.94 1h29 h THR 468 N 0.03 1.64 0.00 0.00 2.02 -1.21 -3.32 112.91 112.07 1h29 h THR 468 Ca 0.14 -3.22 0.00 0.00 0.77 0.00 0.00 66.41 64.10 1h29 h THR 468 Cb 0.20 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1h29 h THR 468 CO -0.27 0.92 -1.00 0.49 0.37 0.00 0.00 175.52 176.04 1h29 n PHE 469 N -3.44 0.33 -2.77 3.16 3.01 0.11 -4.57 117.46 113.30 1h29 n PHE 469 Ca -0.02 0.10 -0.43 0.00 1.01 0.00 0.00 57.45 58.11 1h29 n PHE 469 Cb 0.93 -0.49 -0.03 0.00 -0.01 0.00 0.00 39.48 39.88 1h29 n PHE 469 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1h29 s HIS 470 N -3.21 2.85 -0.32 1.38 3.76 0.17 -4.81 115.29 115.11 1h29 s HIS 470 Ca 0.04 -1.11 0.22 0.00 -0.15 0.00 0.00 55.06 54.06 1h29 s HIS 470 Cb 0.14 -4.45 -0.14 0.00 1.11 0.00 0.00 32.58 29.23 1h29 s HIS 470 CO 0.79 -1.69 0.80 -0.89 -0.85 0.00 0.00 174.74 172.91 1h29 n ILE 471 N 6.08 0.19 -4.47 0.60 2.08 -1.26 -4.50 119.36 118.08 1h29 n ILE 471 Ca 0.26 -0.40 -0.24 0.00 0.56 0.00 0.00 62.75 62.93 1h29 n ILE 471 Cb 0.50 0.06 -0.10 0.00 -0.75 0.00 0.00 39.64 39.35 1h29 n ILE 471 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1h29 s GLU 472 N -3.35 1.74 0.50 0.38 2.02 -1.26 -4.86 118.70 113.86 1h29 s GLU 472 Ca -0.02 -1.77 0.20 0.00 0.02 0.00 0.00 54.97 53.41 1h29 s GLU 472 Cb 0.13 -1.79 1.28 0.00 0.10 0.00 0.00 34.13 33.86 1h29 s GLU 472 CO 0.85 0.31 2.07 0.87 0.02 0.00 0.00 175.26 179.38 1h29 h LYS 473 N 2.21 0.00 -0.68 1.61 1.79 -1.89 -1.56 116.57 118.06 1h29 h LYS 473 Ca -0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1h29 h LYS 473 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1h29 h LYS 473 CO 0.61 0.12 0.00 0.41 -1.08 0.00 0.00 179.45 179.51 1h29 n GLY 474 N -1.04 2.37 0.35 3.86 0.00 -1.26 -2.50 105.19 106.97 1h29 n GLY 474 Ca -0.02 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 4.36 0.24 -0.72 2.61 2.02 -1.64 -1.81 112.91 117.97 1h29 h THR 475 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1h29 h THR 475 Cb 1.00 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1h29 h THR 475 CO 0.00 0.00 0.47 -0.07 0.37 0.00 0.00 175.52 176.29 1h29 h LEU 476 N -0.40 0.74 -0.85 2.58 3.38 -1.82 -1.32 115.31 117.62 1h29 h LEU 476 Ca 0.10 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1h29 h LEU 476 Cb 0.57 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 1h29 h LEU 476 CO -0.39 0.50 0.49 0.00 0.09 0.00 0.00 178.44 179.13 1h29 h GLN 478 N 0.83 0.00 -0.03 0.00 4.20 -0.76 0.14 115.11 119.49 1h29 h GLN 478 Ca 0.40 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.12 1h29 h GLN 478 Cb 0.35 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1h29 h GLN 478 CO -0.24 0.01 0.19 0.78 -0.67 0.00 0.00 178.83 178.90 1h29 h GLY 479 N 0.18 0.00 0.00 3.46 0.00 -1.10 -2.68 103.07 102.93 1h29 h GLY 479 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h29 h GLY 479 CO 0.00 0.00 -0.86 0.00 0.00 0.00 0.00 176.54 175.68 1h29 n HIS 481 N -2.32 3.74 -2.04 0.00 -0.00 0.38 -4.99 115.22 109.99 1h29 n HIS 481 Ca 0.00 -2.95 -0.29 0.00 -0.00 0.00 0.00 57.72 54.49 1h29 n HIS 481 Cb 0.43 -2.33 0.05 0.00 -0.00 0.00 0.00 29.99 28.14 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 2.28 3.19 -1.05 4.41 0.00 -1.02 -4.07 115.29 119.03 1h29 s HIS 482 Ca 0.45 0.83 0.00 0.00 -3.00 0.00 0.00 55.06 53.35 1h29 s HIS 482 Cb 0.09 -3.10 0.00 0.00 -4.00 0.00 0.00 32.58 25.57 1h29 s HIS 482 CO -0.02 -1.25 0.00 0.09 -1.00 0.00 0.00 174.74 172.57 1h29 n ASN 483 N -2.97 -5.73 -4.08 7.38 3.02 -1.26 -4.91 115.26 106.70 1h29 n ASN 483 Ca 0.07 0.24 -0.17 0.00 -0.03 0.00 0.00 54.58 54.69 1h29 n ASN 483 Cb 0.58 -4.10 -0.13 0.00 -0.61 0.00 0.00 39.78 35.52 1h29 n ASN 483 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1h29 s SER 484 N -2.37 1.19 0.58 6.41 0.15 -1.26 -5.13 113.70 113.27 1h29 s SER 484 Ca 0.00 -0.43 -0.19 0.00 0.70 0.00 0.00 55.95 56.02 1h29 s SER 484 Cb 0.00 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 1h29 s SER 484 CO 0.00 -0.05 1.24 -2.16 1.20 0.00 0.00 173.24 173.47 1h29 s PRO 485 N -1.14 2.99 -0.25 5.44 0.04 -1.26 -4.90 135.00 135.92 1h29 s PRO 485 Ca -0.03 1.91 -0.31 0.00 0.04 0.00 0.00 61.00 62.61 1h29 s PRO 485 Cb -0.08 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1h29 s PRO 485 CO 0.01 -1.21 2.20 0.00 0.04 0.00 0.00 177.00 178.03 1h29 n ALA 486 N -1.48 1.52 -2.75 8.56 0.00 -1.26 -4.91 120.51 120.18 1h29 n ALA 486 Ca 0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1h29 n ALA 486 Cb 0.49 -2.78 -0.09 0.00 0.00 0.00 0.00 19.45 17.06 1h29 n ALA 486 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1h29 s SER 487 N 7.78 0.17 0.32 0.00 0.15 -1.26 -4.74 113.70 116.12 1h29 s SER 487 Ca 1.03 -0.51 0.05 0.00 0.70 0.00 0.00 55.95 57.21 1h29 s SER 487 Cb -0.53 0.22 0.55 0.00 -1.71 0.00 0.00 66.02 64.55 1h29 s SER 487 CO 0.41 -0.49 1.81 0.25 1.20 0.00 0.00 173.24 176.41 1h29 h LEU 488 N 3.74 0.43 -6.77 3.45 5.85 -1.98 -3.37 115.31 116.67 1h29 h LEU 488 Ca -0.32 -0.11 -0.63 0.00 0.84 0.00 0.00 57.88 57.66 1h29 h LEU 488 Cb 1.19 -0.12 -0.41 0.00 0.37 0.00 0.00 40.66 41.69 1h29 h LEU 488 CO 0.49 0.61 -0.48 0.35 -0.34 0.00 0.00 178.44 179.07 1h29 n THR 489 N -4.20 2.19 -1.59 1.05 -2.24 -1.26 -4.97 114.28 103.26 1h29 n THR 489 Ca 0.00 -5.07 -0.33 0.00 -2.27 0.00 0.00 64.05 56.38 1h29 n THR 489 Cb 0.32 -2.17 0.07 0.00 -2.10 0.00 0.00 70.33 66.45 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 -1.90 2.51 0.68 -0.78 0.04 -1.26 -5.02 135.00 129.26 1h29 s PRO 490 Ca 0.31 1.48 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 1h29 s PRO 490 Cb 0.03 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.66 1h29 s PRO 490 CO -0.10 -1.49 1.06 -1.25 0.04 0.00 0.00 177.00 175.26 1h29 s PRO 491 N -4.12 3.11 0.78 0.56 0.04 -1.26 -5.03 135.00 129.08 1h29 s PRO 491 Ca 0.68 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 1h29 s PRO 491 Cb -0.23 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.35 1h29 s PRO 491 CO 0.44 -0.91 1.10 0.15 0.04 0.00 0.00 177.00 177.83 1h29 s LYS 492 N -5.22 2.12 0.11 4.56 1.02 -1.26 -4.95 119.74 116.12 1h29 s LYS 492 Ca 0.57 1.25 -0.17 0.00 0.02 0.00 0.00 55.97 57.64 1h29 s LYS 492 Cb -0.12 -1.88 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 1h29 s LYS 492 CO 0.53 -1.75 1.59 0.00 -0.92 0.00 0.00 175.35 174.80 1h29 h ALA 494 N 0.89 1.96 -0.34 0.00 0.00 -1.93 -0.62 119.26 119.22 1h29 h ALA 494 Ca 0.10 0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.39 1h29 h ALA 494 Cb 0.33 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1h29 h ALA 494 CO 0.00 -0.80 0.13 0.45 0.00 0.00 0.00 179.25 179.03 1h29 n SER 495 N -5.24 0.07 0.00 0.00 2.88 -1.11 -3.07 113.62 107.16 1h29 n SER 495 Ca 0.34 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1h29 n SER 495 Cb 1.13 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 1h29 n SER 495 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h29 s HIS 497 N -1.04 3.20 0.00 0.00 3.76 -0.92 -4.88 115.29 115.42 1h29 s HIS 497 Ca 0.00 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 1h29 s HIS 497 Cb 0.00 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.95 1h29 s HIS 497 CO 0.00 0.51 0.00 0.41 -0.85 0.00 0.00 174.74 174.81 1h29 n GLY 498 N 1.57 2.68 4.88 -2.22 0.00 -1.24 -4.30 105.19 106.55 1h29 n GLY 498 Ca -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 8.73 0.00 0.00 1.61 0.00 -1.26 -4.97 118.16 122.26 1h29 n LYS 499 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1h29 n LYS 499 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1h29 n LYS 499 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1h29 n GLY 506 N 0.00 0.16 0.00 3.14 0.00 -1.26 -5.15 105.19 102.08 1h29 n GLY 506 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.57 0.00 -4.55 1.61 3.85 -1.26 -4.42 116.55 110.21 1h29 n ASP 507 Ca 0.00 0.21 -0.36 0.00 -0.71 0.00 0.00 54.79 53.93 1h29 n ASP 507 Cb 0.00 -0.21 -0.11 0.00 -1.35 0.00 0.00 41.12 39.45 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 -2.36 3.84 0.59 0.11 0.52 -1.26 -5.09 118.95 115.30 1h29 s ARG 508 Ca 0.00 -0.39 -0.18 0.00 -0.52 0.00 0.00 55.73 54.64 1h29 s ARG 508 Cb 0.00 -3.38 -0.08 0.00 0.52 0.00 0.00 34.95 32.01 1h29 s ARG 508 CO 0.00 -0.03 0.51 -0.35 0.02 0.00 0.00 175.30 175.45 1h29 n PRO 509 N 4.49 0.48 -0.62 3.54 -0.04 -1.26 -4.82 135.00 136.76 1h29 n PRO 509 Ca -0.16 0.19 -0.31 0.00 -0.04 0.00 0.00 63.50 63.18 1h29 n PRO 509 Cb 0.52 -1.70 0.19 0.00 -0.04 0.00 0.00 33.50 32.47 1h29 n PRO 509 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1h29 n GLY 510 N 1.79 -1.93 0.21 0.55 0.00 -1.26 -3.65 105.19 100.91 1h29 n GLY 510 Ca 0.11 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.19 -0.49 -0.30 0.99 6.46 -1.94 -0.11 115.31 117.74 1h29 h LEU 511 Ca -0.53 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.36 1h29 h LEU 511 Cb 1.32 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 41.38 1h29 h LEU 511 CO 0.42 -0.24 -0.18 0.50 -0.62 0.00 0.00 178.44 178.33 1h29 h LYS 512 N -0.29 -0.14 -0.88 1.25 3.64 -1.97 0.03 116.57 118.21 1h29 h LYS 512 Ca 0.04 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1h29 h LYS 512 Cb 0.35 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1h29 h LYS 512 CO -0.14 -0.09 0.58 0.00 -2.27 0.00 0.00 179.45 177.52 1h29 h ALA 513 N 1.05 1.11 0.10 5.00 0.00 -1.87 -0.88 119.26 123.78 1h29 h ALA 513 Ca 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1h29 h ALA 513 Cb 0.38 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1h29 h ALA 513 CO -0.38 0.52 -0.16 0.00 0.00 0.00 0.00 179.25 179.22 1h29 h ALA 514 N 1.32 -0.28 0.23 0.00 0.00 0.09 0.19 119.26 120.81 1h29 h ALA 514 Ca 0.32 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1h29 h ALA 514 Cb -0.13 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1h29 h ALA 514 CO -0.07 -0.69 -0.29 1.88 0.00 0.00 0.00 179.25 180.09 1h29 h TYR 515 N -0.32 -0.77 -0.39 0.00 0.99 -0.85 0.23 116.97 115.86 1h29 h TYR 515 Ca 0.02 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.77 1h29 h TYR 515 Cb 0.34 0.31 -0.02 0.00 1.00 0.00 0.00 36.73 38.35 1h29 h TYR 515 CO -0.17 -0.41 0.24 0.45 -0.00 0.00 0.00 178.16 178.28 1h29 h HIS 516 N -0.57 0.45 -0.76 4.88 3.86 -0.82 0.31 115.15 122.51 1h29 h HIS 516 Ca 0.00 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1h29 h HIS 516 Cb 0.55 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 1h29 h HIS 516 CO -0.21 0.27 0.32 0.37 0.86 0.00 0.00 177.93 179.55 1h29 h GLN 517 N 0.49 1.12 -0.00 2.45 4.15 -0.56 0.97 115.11 123.73 1h29 h GLN 517 Ca 0.15 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1h29 h GLN 517 Cb -0.02 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 1h29 h GLN 517 CO -0.06 0.90 -0.00 0.37 -1.93 0.00 0.00 178.83 178.11 1h29 h GLN 518 N 1.09 0.01 0.71 1.69 4.15 0.14 -1.43 115.11 121.46 1h29 h GLN 518 Ca 0.25 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 1h29 h GLN 518 Cb 0.19 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.88 1h29 h GLN 518 CO -0.02 0.47 -0.34 0.00 -1.93 0.00 0.00 178.83 177.01 1h29 h MET 520 N -1.11 0.87 -0.41 0.00 2.86 -0.95 -2.65 114.93 113.54 1h29 h MET 520 Ca -0.10 -0.22 0.06 0.00 -2.06 0.00 0.00 59.70 57.39 1h29 h MET 520 Cb 0.76 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.25 1h29 h MET 520 CO 0.16 0.83 0.09 0.78 1.06 0.00 0.00 176.91 179.83 1h29 h GLY 521 N 0.77 0.49 1.07 8.32 0.00 -1.29 -1.06 103.07 111.36 1h29 h GLY 521 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 1h29 h GLY 521 CO 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 176.54 176.55 1h29 h HIS 523 N 0.96 0.23 -0.05 0.00 3.86 -1.06 0.81 115.15 119.90 1h29 h HIS 523 Ca 0.18 -0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.17 1h29 h HIS 523 Cb 0.52 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 1h29 h HIS 523 CO 0.04 0.35 -0.80 -0.44 0.86 0.00 0.00 177.93 177.94 1h29 h ASP 524 N 0.21 0.49 0.83 2.45 3.45 -1.05 -0.15 116.42 122.66 1h29 h ASP 524 Ca 0.04 -0.34 -0.24 0.00 0.43 0.00 0.00 57.03 56.92 1h29 h ASP 524 Cb 0.36 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1h29 h ASP 524 CO 0.02 1.10 -1.13 0.03 -1.57 0.00 0.00 179.24 177.70 1h29 h ARG 525 N 0.26 0.11 -0.01 3.56 3.08 -0.93 -3.13 114.38 117.32 1h29 h ARG 525 Ca -0.04 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1h29 h ARG 525 Cb 1.39 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1h29 h ARG 525 CO 0.14 1.08 -0.07 -1.33 -1.07 0.00 0.00 179.97 178.71 1h29 n MET 526 N -3.42 1.10 -3.71 0.04 2.81 0.23 -4.51 117.12 109.66 1h29 n MET 526 Ca -0.04 -0.47 -0.24 0.00 -1.81 0.00 0.00 57.70 55.14 1h29 n MET 526 Cb 0.98 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 32.04 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 -0.54 -5.76 -3.21 0.03 5.02 -0.68 -4.90 118.16 108.11 1h29 n LYS 527 Ca 0.17 0.68 -0.41 0.00 -2.02 0.00 0.00 58.31 56.73 1h29 n LYS 527 Cb 0.28 -5.46 -0.07 0.00 -0.02 0.00 0.00 35.03 29.75 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 -3.47 5.02 0.15 -0.18 -1.09 -0.15 -4.93 121.20 116.55 1h29 s ILE 528 Ca 0.27 0.70 -0.07 0.00 -2.23 0.00 0.00 60.65 59.32 1h29 s ILE 528 Cb -0.13 -3.91 -0.11 0.00 -1.58 0.00 0.00 42.46 36.73 1h29 s ILE 528 CO 0.79 -0.06 1.40 -0.33 -1.23 0.00 0.00 174.94 175.52 1h29 h GLU 529 N 8.20 0.64 0.00 2.79 5.08 -1.93 -3.44 114.58 125.92 1h29 h GLU 529 Ca -0.28 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.60 1h29 h GLU 529 Cb 1.13 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1h29 h GLU 529 CO 0.75 1.10 0.00 1.63 -1.00 0.00 0.00 179.01 181.49 1h29 n LYS 530 N -3.92 0.00 -2.98 2.33 4.01 -1.26 -2.61 118.16 113.73 1h29 n LYS 530 Ca -0.05 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.34 1h29 n LYS 530 Cb 0.69 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.16 1h29 n LYS 530 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1h29 s PRO 531 N 0.00 4.19 0.50 1.97 0.04 -1.26 -5.06 135.00 135.38 1h29 s PRO 531 Ca 0.00 0.81 -0.22 0.00 0.04 0.00 0.00 61.00 61.62 1h29 s PRO 531 Cb 0.00 -3.63 -0.06 0.00 0.04 0.00 0.00 34.50 30.85 1h29 s PRO 531 CO 0.00 -0.42 1.27 0.00 0.04 0.00 0.00 177.00 177.88 1h29 s ALA 532 N 2.52 2.91 0.59 8.56 0.00 -1.07 -4.91 121.76 130.36 1h29 s ALA 532 Ca 0.32 1.14 0.36 0.00 0.00 0.00 0.00 51.96 53.79 1h29 s ALA 532 Cb -0.16 -3.48 2.04 0.00 0.00 0.00 0.00 23.12 21.53 1h29 s ALA 532 CO 0.09 -1.02 2.28 -0.91 0.00 0.00 0.00 175.76 176.20 1h29 h ASN 533 N 1.79 0.00 0.63 0.00 2.35 -1.94 -1.19 115.58 117.21 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 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1h29 h ASN 533 CO 0.59 0.01 -0.23 0.35 -1.65 0.00 0.00 177.43 176.50 1h29 n THR 534 N -3.46 0.00 -2.79 2.81 -2.24 -1.26 -4.67 114.28 102.67 1h29 n THR 534 Ca -0.03 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 1h29 n THR 534 Cb 0.10 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1h29 n THR 534 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h29 n ALA 535 N -1.34 4.70 -0.11 6.98 0.00 -0.45 -4.85 120.51 125.43 1h29 n ALA 535 Ca 0.08 -4.43 -0.07 0.00 0.00 0.00 0.00 53.44 49.03 1h29 n ALA 535 Cb 0.32 -2.83 -0.00 0.00 0.00 0.00 0.00 19.45 16.94 1h29 n ALA 535 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h29 n VAL 537 N -5.40 0.78 0.24 0.00 0.24 -1.25 -2.63 118.33 110.31 1h29 n VAL 537 Ca 0.01 0.20 0.13 0.00 -2.04 0.00 0.00 64.34 62.64 1h29 n VAL 537 Cb 0.32 -0.91 0.24 0.00 -1.47 0.00 0.00 33.84 32.02 1h29 n VAL 537 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1h29 h ASP 538 N 0.00 0.00 0.00 -1.34 5.19 -1.50 -3.27 116.42 115.50 1h29 h ASP 538 Ca 0.00 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 1h29 h ASP 538 Cb 0.27 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.72 1h29 h ASP 538 CO 0.00 0.00 -2.30 0.00 -3.12 0.00 0.00 179.24 173.82 1h29 s HIS 540 N -2.46 -0.42 0.80 0.00 0.00 -1.10 -3.77 115.29 108.33 1h29 s HIS 540 Ca -0.15 0.93 -0.11 0.00 -3.00 0.00 0.00 55.06 52.74 1h29 s HIS 540 Cb 0.06 -0.05 0.07 0.00 -4.00 0.00 0.00 32.58 28.66 1h29 s HIS 540 CO 0.72 -0.37 1.09 0.15 -1.00 0.00 0.00 174.74 175.33 1h29 s LYS 541 N 2.42 2.05 0.00 -0.38 1.02 -1.24 -3.88 119.74 119.74 1h29 s LYS 541 Ca 0.02 1.14 0.00 0.00 0.02 0.00 0.00 55.97 57.15 1h29 s LYS 541 Cb -0.12 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1h29 s LYS 541 CO -0.09 -1.78 0.00 0.39 -0.92 0.00 0.00 175.35 172.95