#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m46 n MET 1 N 0.00 0.00 -3.99 0.00 2.00 -1.26 -5.07 117.12 108.80 3m46 n MET 1 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 57.70 57.42 3m46 n MET 1 Cb 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 33.22 32.87 3m46 n MET 1 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3m46 s ILE 2 N 0.00 0.43 0.03 2.02 1.01 -1.26 -1.30 121.20 122.13 3m46 s ILE 2 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.69 3m46 s ILE 2 Cb 0.00 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 3m46 s ILE 2 CO 0.00 0.23 -0.15 -0.13 0.00 0.00 0.00 174.94 174.88 3m46 s ARG 3 N 1.30 1.07 -0.18 2.79 0.52 -0.72 -4.96 118.95 118.76 3m46 s ARG 3 Ca -0.05 -0.72 -0.00 0.00 -0.52 0.00 0.00 55.73 54.43 3m46 s ARG 3 Cb -0.13 -1.08 0.01 0.00 0.52 0.00 0.00 34.95 34.26 3m46 s ARG 3 CO -0.02 0.28 -0.15 0.21 0.02 0.00 0.00 175.30 175.64 3m46 s LYS 4 N -0.92 3.14 -0.25 3.54 2.20 -1.25 -0.18 119.74 126.01 3m46 s LYS 4 Ca 0.04 -0.76 -0.08 0.00 -0.36 0.00 0.00 55.97 54.80 3m46 s LYS 4 Cb -0.07 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.52 3m46 s LYS 4 CO 0.01 -0.16 0.10 0.71 -0.36 0.00 0.00 175.35 175.65 3m46 s TYR 5 N 1.23 3.13 -0.14 4.03 2.02 0.14 -0.31 117.35 127.46 3m46 s TYR 5 Ca 0.03 -0.24 -0.06 0.00 -0.37 0.00 0.00 57.07 56.43 3m46 s TYR 5 Cb -0.14 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 3m46 s TYR 5 CO -0.07 -0.27 0.08 0.50 -1.57 0.00 0.00 175.55 174.22 3m46 s ARG 6 N 1.56 3.58 -0.10 -0.62 3.52 -1.26 -0.19 118.95 125.44 3m46 s ARG 6 Ca 0.06 -0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.40 3m46 s ARG 6 Cb -0.15 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.13 3m46 s ARG 6 CO 0.05 0.54 -0.15 0.71 -0.81 0.00 0.00 175.30 175.65 3m46 s TYR 7 N -0.38 1.89 0.00 5.12 2.02 -0.75 -5.02 117.35 120.22 3m46 s TYR 7 Ca 0.10 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 55.93 3m46 s TYR 7 Cb -0.12 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 3m46 s TYR 7 CO 0.02 -0.45 0.00 0.41 -1.57 0.00 0.00 175.55 173.96 3m46 n GLY 8 N 4.17 1.90 2.50 0.71 0.00 -1.13 -1.59 105.19 111.75 3m46 n GLY 8 Ca -0.19 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 3m46 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m46 n ALA 9 N 8.92 4.08 -1.66 4.61 0.00 -1.26 -4.92 120.51 130.27 3m46 n ALA 9 Ca 0.00 -4.76 -0.50 0.00 0.00 0.00 0.00 53.44 48.18 3m46 n ALA 9 Cb 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 3m46 n ALA 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3m46 n PRO 10 N 0.97 1.73 -1.57 0.00 -0.04 -1.26 -4.86 135.00 129.97 3m46 n PRO 10 Ca 0.29 0.63 -0.43 0.00 -0.04 0.00 0.00 63.50 63.95 3m46 n PRO 10 Cb 0.40 -2.37 -0.00 0.00 -0.04 0.00 0.00 33.50 31.49 3m46 n PRO 10 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3m46 n PHE 11 N 4.58 0.84 -3.13 0.54 7.35 -1.26 -4.96 117.46 121.43 3m46 n PHE 11 Ca 0.21 0.63 -0.41 0.00 -0.76 0.00 0.00 57.45 57.12 3m46 n PHE 11 Cb 0.23 -2.18 -0.07 0.00 0.35 0.00 0.00 39.48 37.82 3m46 n PHE 11 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3m46 s ASP 12 N -0.72 6.47 0.13 -2.13 3.68 -1.26 -4.94 116.67 117.90 3m46 s ASP 12 Ca 0.62 0.34 0.23 0.00 2.13 0.00 0.00 52.55 55.87 3m46 s ASP 12 Cb -0.63 -2.32 0.12 0.00 -1.45 0.00 0.00 42.92 38.64 3m46 s ASP 12 CO 0.58 -0.50 1.12 0.35 0.13 0.00 0.00 175.17 176.85 3m46 n THR 13 N 5.43 0.41 -3.90 1.71 -2.24 -1.26 -4.96 114.28 109.47 3m46 n THR 13 Ca -0.01 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.07 3m46 n THR 13 Cb 0.49 -0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3m46 n THR 13 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3m46 n GLU 14 N -2.31 -3.92 0.01 -0.78 -0.58 -1.26 -4.91 120.64 106.90 3m46 n GLU 14 Ca 0.01 0.47 -0.12 0.00 -0.42 0.00 0.00 57.16 57.10 3m46 n GLU 14 Cb 0.49 -5.24 -0.09 0.00 -0.57 0.00 0.00 31.44 26.02 3m46 n GLU 14 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3m46 h ALA 15 N 0.95 -0.11 -2.34 0.62 0.00 -1.93 -3.44 119.26 113.01 3m46 h ALA 15 Ca -0.54 -0.28 -0.47 0.00 0.00 0.00 0.00 54.91 53.62 3m46 h ALA 15 Cb 1.35 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.21 3m46 h ALA 15 CO 0.68 -0.21 0.39 -0.51 0.00 0.00 0.00 179.25 179.60 3m46 s LEU 16 N -8.86 3.90 -0.00 0.00 1.02 -1.26 -4.16 118.68 109.32 3m46 s LEU 16 Ca -0.14 1.94 0.08 0.00 0.02 0.00 0.00 54.13 56.03 3m46 s LEU 16 Cb -0.00 -4.50 -0.10 0.00 0.02 0.00 0.00 46.19 41.61 3m46 s LEU 16 CO 0.55 -0.72 0.33 0.35 0.02 0.00 0.00 176.35 176.88 3m46 n THR 17 N -0.81 0.00 -3.53 5.49 -2.24 0.19 -4.94 114.28 108.45 3m46 n THR 17 Ca 0.08 -0.29 -0.37 0.00 -2.27 0.00 0.00 64.05 61.21 3m46 n THR 17 Cb 0.52 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 3m46 n THR 17 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3m46 s GLU 18 N -1.91 4.09 0.19 -0.78 2.12 -0.93 -5.00 118.70 116.48 3m46 s GLU 18 Ca 0.02 0.22 -0.30 0.00 0.36 0.00 0.00 54.97 55.27 3m46 s GLU 18 Cb 0.06 -3.34 -0.08 0.00 0.26 0.00 0.00 34.13 31.03 3m46 s GLU 18 CO 0.35 0.41 1.12 0.15 -0.54 0.00 0.00 175.26 176.75 3m46 s LYS 19 N -0.10 4.57 -0.11 4.30 1.02 -1.26 -5.00 119.74 123.16 3m46 s LYS 19 Ca 0.20 1.76 0.03 0.00 0.02 0.00 0.00 55.97 57.98 3m46 s LYS 19 Cb -0.14 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 3m46 s LYS 19 CO 0.08 0.05 -0.21 0.42 -0.92 0.00 0.00 175.35 174.76 3m46 s ILE 20 N -0.29 1.93 0.42 2.17 -1.09 -1.26 -5.11 121.20 117.96 3m46 s ILE 20 Ca 0.50 -0.92 -0.26 0.00 -2.23 0.00 0.00 60.65 57.74 3m46 s ILE 20 Cb -0.30 -1.69 -0.10 0.00 -1.58 0.00 0.00 42.46 38.78 3m46 s ILE 20 CO 0.36 0.53 1.26 -1.84 -1.23 0.00 0.00 174.94 174.02 3m46 n GLU 21 N 3.82 1.92 -2.04 2.79 0.28 -1.26 -4.85 120.64 121.30 3m46 n GLU 21 Ca -0.20 0.68 -0.42 0.00 -0.16 0.00 0.00 57.16 57.07 3m46 n GLU 21 Cb 0.52 -2.37 -0.03 0.00 1.43 0.00 0.00 31.44 30.99 3m46 n GLU 21 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3m46 s THR 22 N -1.20 2.97 0.02 3.84 2.01 -1.26 -3.90 115.64 118.12 3m46 s THR 22 Ca 0.61 0.67 -0.30 0.00 0.31 0.00 0.00 61.69 62.97 3m46 s THR 22 Cb -0.51 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3m46 s THR 22 CO 0.58 0.04 1.04 0.00 -0.69 0.00 0.00 174.62 175.59 3m46 s ALA 23 N 1.31 3.22 -0.37 7.40 0.00 0.58 -4.94 121.76 128.97 3m46 s ALA 23 Ca 0.68 0.62 0.06 0.00 0.00 0.00 0.00 51.96 53.33 3m46 s ALA 23 Cb -0.40 -3.37 0.51 0.00 0.00 0.00 0.00 23.12 19.86 3m46 s ALA 23 CO 0.31 -0.28 1.56 0.39 0.00 0.00 0.00 175.76 177.74 3m46 n GLU 24 N 3.89 2.30 -3.39 0.00 -0.58 -1.26 -4.78 120.64 116.82 3m46 n GLU 24 Ca 0.07 -3.35 -0.16 0.00 -0.42 0.00 0.00 57.16 53.29 3m46 n GLU 24 Cb 0.50 -2.01 -0.04 0.00 -0.57 0.00 0.00 31.44 29.32 3m46 n GLU 24 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3m46 n GLU 25 N -1.03 1.22 -2.25 3.49 0.28 -1.26 -5.11 120.64 115.97 3m46 n GLU 25 Ca 0.43 -1.93 -0.41 0.00 -0.16 0.00 0.00 57.16 55.08 3m46 n GLU 25 Cb 1.05 0.63 -0.03 0.00 1.43 0.00 0.00 31.44 34.52 3m46 n GLU 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3m46 s ALA 26 N -2.49 3.51 -0.17 -1.84 0.00 -1.26 -4.97 121.76 114.54 3m46 s ALA 26 Ca 0.02 1.07 -0.34 0.00 0.00 0.00 0.00 51.96 52.71 3m46 s ALA 26 Cb 0.00 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 3m46 s ALA 26 CO 0.02 -0.52 1.96 0.34 0.00 0.00 0.00 175.76 177.56 3m46 n PHE 27 N 2.90 2.13 0.10 0.00 7.35 -1.26 -4.89 117.46 123.78 3m46 n PHE 27 Ca 0.07 0.09 -0.05 0.00 -0.76 0.00 0.00 57.45 56.80 3m46 n PHE 27 Cb 0.43 -2.63 0.10 0.00 0.35 0.00 0.00 39.48 37.74 3m46 n PHE 27 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 3m46 h PRO 28 N 10.20 0.16 -6.70 -7.13 0.13 -2.04 -3.45 132.00 123.16 3m46 h PRO 28 Ca -0.44 -0.13 -0.69 0.00 -0.87 0.00 0.00 66.00 63.87 3m46 h PRO 28 Cb 1.28 0.02 -0.26 0.00 0.13 0.00 0.00 31.00 32.17 3m46 h PRO 28 CO 0.97 0.77 -0.87 0.71 -0.23 0.00 0.00 178.00 179.34 3m46 s TYR 29 N -3.59 2.36 0.00 1.56 2.02 -1.26 -5.09 117.35 113.35 3m46 s TYR 29 Ca -0.03 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 3m46 s TYR 29 Cb 0.12 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.26 3m46 s TYR 29 CO 0.79 0.13 0.00 0.41 -1.57 0.00 0.00 175.55 175.31 3m46 n GLY 30 N 1.81 -1.33 3.67 0.71 0.00 -1.26 -4.81 105.19 103.97 3m46 n GLY 30 Ca -0.17 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 3m46 n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m46 s GLU 31 N 0.00 2.85 -0.11 1.61 2.02 0.31 -4.96 118.70 120.42 3m46 s GLU 31 Ca 0.00 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 3m46 s GLU 31 Cb 0.00 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 3m46 s GLU 31 CO 0.00 0.66 -0.05 0.42 0.02 0.00 0.00 175.26 176.31 3m46 s ILE 32 N -0.97 3.86 0.01 -1.63 -1.09 -1.26 -1.25 121.20 118.87 3m46 s ILE 32 Ca 0.16 -0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.20 3m46 s ILE 32 Cb -0.11 -2.63 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 3m46 s ILE 32 CO 0.06 0.56 -0.05 -0.55 -1.23 0.00 0.00 174.94 173.73 3m46 s SER 33 N -0.35 0.59 -0.11 3.58 0.15 0.08 -5.01 113.70 112.64 3m46 s SER 33 Ca 0.06 -0.20 0.15 0.00 0.70 0.00 0.00 55.95 56.65 3m46 s SER 33 Cb -0.12 -0.03 0.24 0.00 -1.71 0.00 0.00 66.02 64.39 3m46 s SER 33 CO 0.02 -0.02 1.12 0.00 1.20 0.00 0.00 173.24 175.57 3m46 n GLN 34 N 2.58 1.04 -0.20 5.44 6.02 -1.26 -1.58 117.38 129.41 3m46 n GLN 34 Ca -0.15 -2.30 -0.07 0.00 -0.01 0.00 0.00 57.00 54.46 3m46 n GLN 34 Cb 0.57 -1.30 0.02 0.00 1.02 0.00 0.00 30.24 30.56 3m46 n GLN 34 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3m46 h LYS 35 N 0.04 0.83 -1.29 -1.09 3.64 -1.98 -3.33 116.57 113.41 3m46 h LYS 35 Ca -0.00 -0.14 -0.59 0.00 -1.27 0.00 0.00 60.65 58.66 3m46 h LYS 35 Cb 1.08 -0.14 -0.42 0.00 -0.41 0.00 0.00 32.23 32.35 3m46 h LYS 35 CO 0.00 0.70 -0.66 -0.85 -2.27 0.00 0.00 179.45 176.37 3m46 n GLU 36 N -4.52 3.45 0.00 1.90 0.00 -1.26 -5.01 120.64 115.20 3m46 n GLU 36 Ca 0.03 -4.35 0.00 0.00 0.00 0.00 0.00 57.16 52.85 3m46 n GLU 36 Cb 0.14 -2.26 0.00 0.00 0.00 0.00 0.00 31.44 29.32 3m46 n GLU 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3m46 n GLY 37 N -0.56 0.96 3.10 -1.84 0.00 -1.25 -4.82 105.19 100.77 3m46 n GLY 37 Ca 0.42 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 3m46 n GLY 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m46 s PHE 38 N 0.00 -0.34 -0.08 1.61 5.36 -0.49 -4.20 117.98 119.84 3m46 s PHE 38 Ca 0.00 0.80 -0.05 0.00 -0.96 0.00 0.00 56.93 56.72 3m46 s PHE 38 Cb 0.00 0.08 0.03 0.00 -0.34 0.00 0.00 43.02 42.80 3m46 s PHE 38 CO 0.00 -0.21 0.19 0.00 -1.46 0.00 0.00 175.22 173.74 3m46 s ALA 39 N 0.89 -0.42 -0.21 11.12 0.00 -0.62 -1.47 121.76 131.06 3m46 s ALA 39 Ca -0.06 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 3m46 s ALA 39 Cb -0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3m46 s ALA 39 CO -0.06 -0.15 0.02 0.12 0.00 0.00 0.00 175.76 175.69 3m46 s PHE 40 N 0.86 3.07 -0.08 0.00 5.36 0.13 -0.74 117.98 126.58 3m46 s PHE 40 Ca -0.06 -0.39 0.04 0.00 -0.96 0.00 0.00 56.93 55.56 3m46 s PHE 40 Cb -0.08 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 3m46 s PHE 40 CO -0.05 -0.21 -0.21 0.99 -1.46 0.00 0.00 175.22 174.28 3m46 s THR 41 N 1.03 1.81 -0.05 0.12 2.01 -0.38 -0.58 115.64 119.60 3m46 s THR 41 Ca 0.02 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 3m46 s THR 41 Cb -0.14 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 70.82 3m46 s THR 41 CO 0.02 0.51 0.13 -0.47 -0.69 0.00 0.00 174.62 174.12 3m46 s TYR 42 N 0.30 -0.14 -0.26 4.92 6.14 0.23 -0.53 117.35 128.01 3m46 s TYR 42 Ca -0.14 0.38 -0.12 0.00 0.64 0.00 0.00 57.07 57.83 3m46 s TYR 42 Cb -0.16 -0.01 -0.05 0.00 0.42 0.00 0.00 41.96 42.16 3m46 s TYR 42 CO 0.07 -0.10 0.22 0.42 0.64 0.00 0.00 175.55 176.79 3m46 s ILE 43 N 0.51 5.30 0.14 3.14 -1.09 -1.26 0.12 121.20 128.06 3m46 s ILE 43 Ca -0.04 0.26 -0.17 0.00 -2.23 0.00 0.00 60.65 58.47 3m46 s ILE 43 Cb -0.05 -3.56 -0.07 0.00 -1.58 0.00 0.00 42.46 37.20 3m46 s ILE 43 CO -0.02 0.27 0.60 -0.04 -1.23 0.00 0.00 174.94 174.52 3m46 s MET 44 N 1.53 4.13 0.74 2.79 -1.94 0.35 -4.99 119.30 121.90 3m46 s MET 44 Ca 0.09 0.67 -0.15 0.00 -1.71 0.00 0.00 55.69 54.59 3m46 s MET 44 Cb -0.15 -3.03 0.04 0.00 2.01 0.00 0.00 34.83 33.70 3m46 s MET 44 CO 0.08 0.52 1.20 0.34 -0.01 0.00 0.00 175.02 177.15 3m46 s ASP 45 N -1.49 4.17 0.21 3.03 2.15 -1.26 -4.85 116.67 118.62 3m46 s ASP 45 Ca 0.36 2.33 -0.11 0.00 0.43 0.00 0.00 52.55 55.55 3m46 s ASP 45 Cb -0.17 -2.59 0.27 0.00 -0.30 0.00 0.00 42.92 40.13 3m46 s ASP 45 CO 0.20 -2.28 1.67 -0.08 -0.17 0.00 0.00 175.17 174.51 3m46 h GLU 46 N -0.37 0.12 0.00 4.34 4.81 -1.97 -3.00 114.58 118.50 3m46 h GLU 46 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3m46 h GLU 46 Cb 1.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3m46 h GLU 46 CO 0.49 0.08 -0.31 -0.44 -0.73 0.00 0.00 179.01 178.10 3m46 h ASP 47 N 0.12 0.00 -1.01 1.04 3.32 -1.95 -3.47 116.42 114.47 3m46 h ASP 47 Ca 0.31 -0.07 -0.77 0.00 0.02 0.00 0.00 57.03 56.51 3m46 h ASP 47 Cb 0.49 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.09 3m46 h ASP 47 CO -0.50 0.03 -0.01 0.47 -1.72 0.00 0.00 179.24 177.51 3m46 n ASP 48 N -2.42 -0.14 -4.70 6.45 9.92 -1.14 -4.90 116.55 119.62 3m46 n ASP 48 Ca 0.04 1.16 -0.34 0.00 -0.53 0.00 0.00 54.79 55.11 3m46 n ASP 48 Cb 0.47 -0.93 -0.09 0.00 -0.64 0.00 0.00 41.12 39.93 3m46 n ASP 48 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3m46 s ILE 49 N -0.12 4.40 -0.29 0.53 1.01 0.37 -4.91 121.20 122.19 3m46 s ILE 49 Ca 0.88 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 61.17 3m46 s ILE 49 Cb -1.22 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 38.36 3m46 s ILE 49 CO 0.57 0.54 0.07 -0.69 0.00 0.00 0.00 174.94 175.44 3m46 s VAL 50 N -0.96 3.93 0.30 2.92 1.01 -1.26 0.49 120.40 126.84 3m46 s VAL 50 Ca 0.15 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3m46 s VAL 50 Cb -0.11 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3m46 s VAL 50 CO 0.05 0.10 0.46 -0.31 0.00 0.00 0.00 175.10 175.39 3m46 s TYR 51 N 1.50 3.38 0.00 5.22 2.02 -0.33 -0.57 117.35 128.56 3m46 s TYR 51 Ca 0.03 0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 3m46 s TYR 51 Cb -0.17 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 3m46 s TYR 51 CO 0.02 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.61 3m46 n GLY 52 N -1.61 -0.37 2.37 0.71 0.00 -1.26 -1.02 105.19 104.01 3m46 n GLY 52 Ca -0.05 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 43.86 3m46 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m46 n LEU 53 N 0.00 -0.13 0.00 0.99 4.77 0.53 -4.89 117.00 118.27 3m46 n LEU 53 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3m46 n LEU 53 Cb 0.00 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.59 3m46 n LEU 53 CO 0.00 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 3m46 n GLY 54 N -1.49 1.39 3.54 -0.72 0.00 -1.22 -3.08 105.19 103.61 3m46 n GLY 54 Ca -0.05 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 3m46 n GLY 54 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3m46 n GLU 55 N 2.81 3.10 -4.29 1.61 2.13 -1.26 -4.38 120.64 120.36 3m46 n GLU 55 Ca 0.00 -3.20 -0.15 0.00 0.66 0.00 0.00 57.16 54.46 3m46 n GLU 55 Cb 0.00 -3.50 -0.10 0.00 0.27 0.00 0.00 31.44 28.11 3m46 n GLU 55 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3m46 s SER 56 N 4.29 1.26 1.05 4.31 1.04 -1.18 -4.08 113.70 120.39 3m46 s SER 56 Ca 0.54 -1.28 -0.13 0.00 0.48 0.00 0.00 55.95 55.57 3m46 s SER 56 Cb 0.04 0.13 0.22 0.00 0.10 0.00 0.00 66.02 66.51 3m46 s SER 56 CO 0.07 -0.64 1.08 0.21 0.98 0.00 0.00 173.24 174.95 3m46 s ASN 57 N -3.25 2.18 1.14 7.02 3.84 -1.26 -4.86 114.94 119.75 3m46 s ASN 57 Ca 0.31 1.19 0.00 0.00 0.21 0.00 0.00 52.86 54.57 3m46 s ASN 57 Cb 0.07 -1.86 0.00 0.00 -0.55 0.00 0.00 41.25 38.91 3m46 s ASN 57 CO 0.09 -3.41 0.00 0.54 -2.79 0.00 0.00 177.10 171.53 3m46 n ARG 58 N -4.36 0.00 -2.34 0.43 1.74 -1.26 -4.94 116.66 105.92 3m46 n ARG 58 Ca 0.05 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.03 3m46 n ARG 58 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 3m46 n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m46 n GLY 59 N 0.00 2.83 0.09 -0.13 0.00 -1.26 -4.73 105.19 101.98 3m46 n GLY 59 Ca 0.00 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 3m46 n GLY 59 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3m46 h ILE 60 N 0.51 1.42 -3.22 -0.61 2.04 -1.91 -3.38 117.51 112.35 3m46 h ILE 60 Ca -0.13 -1.39 -0.57 0.00 1.00 0.00 0.00 64.86 63.77 3m46 h ILE 60 Cb 0.50 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.76 3m46 h ILE 60 CO 0.21 0.38 0.91 0.21 0.00 0.00 0.00 178.15 179.86 3m46 s ASN 61 N -5.96 6.80 0.01 1.72 3.84 -1.26 -4.41 114.94 115.68 3m46 s ASN 61 Ca -0.15 1.14 0.27 0.00 0.21 0.00 0.00 52.86 54.33 3m46 s ASN 61 Cb 0.02 -2.54 0.91 0.00 -0.55 0.00 0.00 41.25 39.10 3m46 s ASN 61 CO 0.71 -0.98 1.71 0.29 -2.79 0.00 0.00 177.10 176.04 3m46 n LYS 62 N 7.10 0.02 -1.53 0.43 4.76 0.26 -4.91 118.16 124.30 3m46 n LYS 62 Ca 0.13 0.01 -0.50 0.00 -2.87 0.00 0.00 58.31 55.08 3m46 n LYS 62 Cb 0.47 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 32.09 3m46 n LYS 62 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3m46 n ARG 63 N -1.56 0.76 -0.32 1.97 1.74 -1.26 -3.72 116.66 114.27 3m46 n ARG 63 Ca 0.06 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 3m46 n ARG 63 Cb 0.35 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3m46 n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m46 n GLY 64 N 1.88 1.50 3.82 -0.13 0.00 0.28 -5.00 105.19 107.55 3m46 n GLY 64 Ca 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 3m46 n GLY 64 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3m46 s TYR 65 N -2.00 -0.01 -0.14 1.61 5.04 -1.03 -4.73 117.35 116.09 3m46 s TYR 65 Ca 0.00 -0.31 -0.03 0.00 -2.44 0.00 0.00 57.07 54.29 3m46 s TYR 65 Cb 0.00 0.65 -0.03 0.00 0.35 0.00 0.00 41.96 42.93 3m46 s TYR 65 CO 0.00 -0.76 -0.04 0.00 -1.34 0.00 0.00 175.55 173.41 3m46 s TYR 67 N 0.09 1.98 -0.20 0.00 2.02 -0.39 -4.61 117.35 116.25 3m46 s TYR 67 Ca -0.00 -0.90 -0.04 0.00 -0.37 0.00 0.00 57.07 55.76 3m46 s TYR 67 Cb -0.13 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 3m46 s TYR 67 CO 0.03 -0.45 -0.04 0.42 -1.57 0.00 0.00 175.55 173.94 3m46 s ILE 68 N 0.88 3.62 -0.67 2.71 1.01 -0.53 0.10 121.20 128.31 3m46 s ILE 68 Ca -0.09 -0.43 -0.27 0.00 0.00 0.00 0.00 60.65 59.86 3m46 s ILE 68 Cb -0.15 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.72 3m46 s ILE 68 CO 0.00 0.44 1.28 -0.44 0.00 0.00 0.00 174.94 176.22 3m46 s SER 69 N 1.05 6.23 -0.40 3.58 0.01 0.20 -4.24 113.70 120.13 3m46 s SER 69 Ca 0.01 -0.18 0.05 0.00 1.31 0.00 0.00 55.95 57.14 3m46 s SER 69 Cb -0.15 -2.56 0.18 0.00 0.21 0.00 0.00 66.02 63.71 3m46 s SER 69 CO 0.01 -1.72 0.71 0.21 0.41 0.00 0.00 173.24 172.85 3m46 s ASN 70 N 3.65 -1.32 -0.35 2.44 2.47 -1.26 -2.38 114.94 118.18 3m46 s ASN 70 Ca 0.40 -0.73 -0.39 0.00 0.42 0.00 0.00 52.86 52.56 3m46 s ASN 70 Cb -0.08 1.70 -0.14 0.00 -1.45 0.00 0.00 41.25 41.27 3m46 s ASN 70 CO 0.20 -0.14 2.00 0.00 -3.72 0.00 0.00 177.10 175.43 3m46 s THR 72 N 5.54 0.85 -1.29 0.00 -1.32 0.76 -4.87 115.64 115.30 3m46 s THR 72 Ca 1.07 -0.31 -0.09 0.00 -1.21 0.00 0.00 61.69 61.15 3m46 s THR 72 Cb -1.06 -0.80 0.16 0.00 -1.51 0.00 0.00 72.50 69.28 3m46 s THR 72 CO 0.59 0.29 1.97 0.00 -2.21 0.00 0.00 174.62 175.26 3m46 n ALA 73 N 3.89 5.65 -0.01 11.08 0.00 -1.26 -3.91 120.51 135.94 3m46 n ALA 73 Ca -0.24 -4.28 0.01 0.00 0.00 0.00 0.00 53.44 48.93 3m46 n ALA 73 Cb 0.51 -2.93 -0.13 0.00 0.00 0.00 0.00 19.45 16.91 3m46 n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3m46 n ASP 74 N 3.41 0.37 -1.22 0.00 -0.08 -1.26 -5.03 116.55 112.73 3m46 n ASP 74 Ca 0.44 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.88 3m46 n ASP 74 Cb 0.34 0.94 0.00 0.00 2.34 0.00 0.00 41.12 44.74 3m46 n ASP 74 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3m46 n PRO 75 N -2.66 0.00 0.08 -0.67 -0.02 -1.26 -4.81 135.00 125.66 3m46 n PRO 75 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3m46 n PRO 75 Cb 0.84 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.32 3m46 n PRO 75 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3m46 n ILE 76 N -0.20 0.04 -2.99 4.25 5.41 -1.26 -4.26 119.36 120.35 3m46 n ILE 76 Ca 0.00 0.01 -0.12 0.00 1.00 0.00 0.00 62.75 63.64 3m46 n ILE 76 Cb 0.00 -0.56 0.06 0.00 -0.71 0.00 0.00 39.64 38.43 3m46 n ILE 76 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3m46 n HIS 77 N -3.06 -1.73 -2.19 1.39 8.25 -1.26 -4.87 115.22 111.75 3m46 n HIS 77 Ca 0.00 0.69 -0.27 0.00 -0.26 0.00 0.00 57.72 57.88 3m46 n HIS 77 Cb 0.01 -4.13 0.05 0.00 1.12 0.00 0.00 29.99 27.04 3m46 n HIS 77 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3m46 s THR 78 N -3.28 3.13 0.56 1.59 -4.23 -1.26 -4.95 115.64 107.20 3m46 s THR 78 Ca 0.12 0.04 0.27 0.00 -1.18 0.00 0.00 61.69 60.94 3m46 s THR 78 Cb -0.02 -3.31 0.37 0.00 1.34 0.00 0.00 72.50 70.89 3m46 s THR 78 CO 0.55 -0.35 2.04 -0.33 -0.54 0.00 0.00 174.62 176.00 3m46 h GLU 79 N -0.47 0.00 0.00 3.99 5.08 -2.04 -2.14 114.58 119.01 3m46 h GLU 79 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3m46 h GLU 79 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3m46 h GLU 79 CO 0.62 0.00 -0.73 -0.40 -1.00 0.00 0.00 179.01 177.50 3m46 n ASP 80 N -4.04 0.68 -4.68 1.42 5.75 -1.26 -4.83 116.55 109.59 3m46 n ASP 80 Ca 0.05 0.04 -0.46 0.00 -0.01 0.00 0.00 54.79 54.42 3m46 n ASP 80 Cb 0.46 0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 40.83 3m46 n ASP 80 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3m46 n LYS 81 N -2.08 2.26 0.02 0.11 4.76 -0.81 -4.90 118.16 117.52 3m46 n LYS 81 Ca 0.03 0.82 -0.02 0.00 -2.87 0.00 0.00 58.31 56.26 3m46 n LYS 81 Cb 0.44 -2.61 -0.10 0.00 -1.84 0.00 0.00 35.03 30.92 3m46 n LYS 81 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3m46 n ARG 82 N 3.97 0.62 -4.12 1.97 5.12 -1.26 -4.76 116.66 118.20 3m46 n ARG 82 Ca 0.18 0.24 -0.26 0.00 -1.93 0.00 0.00 57.85 56.08 3m46 n ARG 82 Cb 0.30 -1.81 -0.17 0.00 -1.16 0.00 0.00 32.46 29.63 3m46 n ARG 82 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3m46 s SER 83 N -5.86 1.95 0.00 0.55 0.01 -1.26 -1.46 113.70 107.63 3m46 s SER 83 Ca -0.03 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.95 3m46 s SER 83 Cb 0.08 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.52 3m46 s SER 83 CO 0.81 -0.07 0.00 0.18 0.41 0.00 0.00 173.24 174.57 3m46 n LEU 84 N 4.56 0.00 0.04 2.44 4.77 -1.26 -4.78 117.00 122.76 3m46 n LEU 84 Ca -0.16 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 55.94 3m46 n LEU 84 Cb 0.51 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.79 3m46 n LEU 84 CO 0.19 0.00 0.36 -1.22 -1.33 0.00 0.00 177.39 175.40 3m46 n TYR 85 N 0.00 0.33 -4.29 -1.77 4.01 -1.25 -0.17 117.16 114.02 3m46 n TYR 85 Ca 0.00 0.10 -0.35 0.00 -0.16 0.00 0.00 57.90 57.49 3m46 n TYR 85 Cb 0.00 -0.50 -0.10 0.00 -0.31 0.00 0.00 39.34 38.44 3m46 n TYR 85 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3m46 s GLY 86 N -3.42 1.86 -0.43 2.72 0.00 -1.26 -3.26 107.32 103.52 3m46 s GLY 86 Ca 0.08 -0.79 -0.09 0.00 0.00 0.00 0.00 44.72 43.92 3m46 s GLY 86 CO 0.72 -0.37 0.28 0.00 0.00 0.00 0.00 173.10 173.73 3m46 s ALA 87 N -0.47 3.31 -0.49 3.20 0.00 -0.75 -4.47 121.76 122.08 3m46 s ALA 87 Ca 0.09 -2.26 0.03 0.00 0.00 0.00 0.00 51.96 49.82 3m46 s ALA 87 Cb -0.12 -2.68 0.15 0.00 0.00 0.00 0.00 23.12 20.47 3m46 s ALA 87 CO 0.02 -1.72 0.32 -1.01 0.00 0.00 0.00 175.76 173.37 3m46 s HIS 88 N 1.40 2.14 -0.14 0.00 3.76 -1.26 -3.69 115.29 117.50 3m46 s HIS 88 Ca 0.04 -2.61 -0.01 0.00 -0.15 0.00 0.00 55.06 52.34 3m46 s HIS 88 Cb -0.24 -1.85 0.09 0.00 1.11 0.00 0.00 32.58 31.69 3m46 s HIS 88 CO 0.01 -0.74 2.04 0.09 -0.85 0.00 0.00 174.74 175.29 3m46 n ASN 89 N 3.03 5.84 -4.88 1.40 5.03 -1.26 -3.85 115.26 120.58 3m46 n ASN 89 Ca 0.16 -2.70 -0.37 0.00 0.87 0.00 0.00 54.58 52.54 3m46 n ASN 89 Cb 0.38 -1.10 -0.06 0.00 -1.02 0.00 0.00 39.78 37.97 3m46 n ASN 89 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3m46 s PHE 90 N -0.79 3.62 0.04 3.10 5.36 -1.26 -1.69 117.98 126.36 3m46 s PHE 90 Ca 0.15 0.60 -0.13 0.00 -0.96 0.00 0.00 56.93 56.58 3m46 s PHE 90 Cb 0.11 -1.99 0.02 0.00 -0.34 0.00 0.00 43.02 40.82 3m46 s PHE 90 CO -0.00 0.71 0.28 0.96 -1.46 0.00 0.00 175.22 175.71 3m46 s ILE 91 N -1.08 0.09 -0.07 3.12 -4.36 -0.58 -0.34 121.20 117.98 3m46 s ILE 91 Ca 0.18 -0.71 -0.00 0.00 -0.26 0.00 0.00 60.65 59.86 3m46 s ILE 91 Cb -0.13 -0.92 0.03 0.00 1.25 0.00 0.00 42.46 42.69 3m46 s ILE 91 CO 0.07 -0.39 -0.03 -0.63 0.24 0.00 0.00 174.94 174.21 3m46 s ILE 92 N -2.50 0.53 -0.16 8.37 1.01 -0.19 -0.43 121.20 127.83 3m46 s ILE 92 Ca -0.05 -0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.31 3m46 s ILE 92 Cb -0.01 -0.63 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 3m46 s ILE 92 CO -0.03 0.27 0.90 -0.69 0.00 0.00 0.00 174.94 175.39 3m46 s VAL 93 N 1.60 4.83 -0.39 2.92 1.01 0.75 -1.19 120.40 129.94 3m46 s VAL 93 Ca -0.00 1.79 -0.00 0.00 0.00 0.00 0.00 61.98 63.77 3m46 s VAL 93 Cb -0.13 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.15 3m46 s VAL 93 CO -0.04 -0.01 0.15 -0.55 0.00 0.00 0.00 175.10 174.65 3m46 s SER 94 N 1.15 5.06 0.00 3.32 0.15 0.18 -1.90 113.70 121.65 3m46 s SER 94 Ca 0.42 -2.11 0.00 0.00 0.70 0.00 0.00 55.95 54.96 3m46 s SER 94 Cb -0.17 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 3m46 s SER 94 CO 0.13 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.70 3m46 n GLY 95 N 4.43 3.79 0.26 9.45 0.00 -1.26 -0.48 105.19 121.38 3m46 n GLY 95 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 3m46 n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m46 h LYS 96 N 0.00 0.53 -5.42 1.61 1.57 -1.96 -3.38 116.57 109.53 3m46 h LYS 96 Ca 0.00 -0.14 -0.63 0.00 -1.87 0.00 0.00 60.65 58.01 3m46 h LYS 96 Cb 0.00 -0.06 -0.16 0.00 0.08 0.00 0.00 32.23 32.09 3m46 h LYS 96 CO 0.00 0.62 -0.58 0.99 -0.57 0.00 0.00 179.45 179.91 3m46 s THR 97 N -4.82 4.66 -0.05 -0.16 2.01 -1.26 -5.11 115.64 110.91 3m46 s THR 97 Ca -0.07 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 3m46 s THR 97 Cb 0.15 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.62 3m46 s THR 97 CO 0.78 0.50 -0.00 -0.89 -0.69 0.00 0.00 174.62 174.32 3m46 s THR 98 N 0.06 0.31 0.11 -0.82 2.01 -1.26 -4.43 115.64 111.62 3m46 s THR 98 Ca 0.05 0.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 3m46 s THR 98 Cb -0.12 -0.44 0.05 0.00 0.01 0.00 0.00 72.50 71.99 3m46 s THR 98 CO 0.01 0.22 0.47 0.72 -0.69 0.00 0.00 174.62 175.35 3m46 s PHE 99 N 1.59 -0.32 -0.01 4.92 -0.12 -0.80 -4.50 117.98 118.74 3m46 s PHE 99 Ca -0.01 0.13 0.02 0.00 -0.05 0.00 0.00 56.93 57.02 3m46 s PHE 99 Cb -0.13 0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 3m46 s PHE 99 CO -0.03 -0.70 -0.03 0.20 -0.05 0.00 0.00 175.22 174.60 3m46 s GLY 100 N -2.53 1.81 -0.07 1.99 0.00 0.63 -0.18 107.32 108.98 3m46 s GLY 100 Ca -0.00 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3m46 s GLY 100 CO -0.09 -0.80 -0.13 1.08 0.00 0.00 0.00 173.10 173.15 3m46 s LEU 101 N -1.37 1.70 -0.18 0.66 1.43 0.43 -0.75 118.68 120.60 3m46 s LEU 101 Ca 0.17 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3m46 s LEU 101 Cb -0.11 -0.87 0.01 0.00 0.03 0.00 0.00 46.19 45.25 3m46 s LEU 101 CO 0.08 0.05 -0.17 0.12 0.23 0.00 0.00 176.35 176.66 3m46 s PHE 102 N 0.59 2.80 -0.44 0.29 5.36 -0.57 -1.52 117.98 124.48 3m46 s PHE 102 Ca -0.14 -1.38 -0.15 0.00 -0.96 0.00 0.00 56.93 54.30 3m46 s PHE 102 Cb -0.16 -1.93 0.05 0.00 -0.34 0.00 0.00 43.02 40.64 3m46 s PHE 102 CO 0.04 -0.68 0.34 -0.06 -1.46 0.00 0.00 175.22 173.40 3m46 s PHE 103 N 1.18 3.25 -0.70 10.12 0.08 -0.68 -1.32 117.98 129.91 3m46 s PHE 103 Ca 0.02 -0.85 -0.21 0.00 0.12 0.00 0.00 56.93 56.02 3m46 s PHE 103 Cb -0.14 -2.91 0.10 0.00 -0.57 0.00 0.00 43.02 39.49 3m46 s PHE 103 CO -0.08 -0.72 0.92 0.34 -0.10 0.00 0.00 175.22 175.58 3m46 s ASP 104 N 2.19 6.28 -0.27 1.36 2.15 0.95 -4.67 116.67 124.67 3m46 s ASP 104 Ca 0.04 -1.37 -0.14 0.00 0.43 0.00 0.00 52.55 51.52 3m46 s ASP 104 Cb -0.22 -2.38 0.09 0.00 -0.30 0.00 0.00 42.92 40.11 3m46 s ASP 104 CO 0.08 -1.25 0.64 -0.47 -0.17 0.00 0.00 175.17 173.99 3m46 s TYR 105 N 3.31 -1.06 -2.05 -5.34 5.04 -1.26 -2.72 117.35 113.26 3m46 s TYR 105 Ca 0.21 2.05 0.30 0.00 -2.44 0.00 0.00 57.07 57.20 3m46 s TYR 105 Cb -0.16 0.62 1.51 0.00 0.35 0.00 0.00 41.96 44.27 3m46 s TYR 105 CO 0.05 -0.54 2.01 -0.35 -1.34 0.00 0.00 175.55 175.38 3m46 n PRO 106 N 4.60 1.11 -2.34 4.97 -0.04 -1.26 -4.92 135.00 137.12 3m46 n PRO 106 Ca -0.18 -0.33 -0.06 0.00 -0.04 0.00 0.00 63.50 62.90 3m46 n PRO 106 Cb 0.56 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 3m46 n PRO 106 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3m46 n SER 107 N -0.66 2.00 -4.49 3.54 2.88 -1.26 -2.20 113.62 113.43 3m46 n SER 107 Ca 0.20 -1.39 -0.48 0.00 -1.33 0.00 0.00 58.87 55.87 3m46 n SER 107 Cb 0.22 0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.67 3m46 n SER 107 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3m46 n LYS 108 N -0.37 1.29 -4.49 -1.46 4.81 -1.25 -4.82 118.16 111.87 3m46 n LYS 108 Ca -0.03 0.34 -0.34 0.00 -0.87 0.00 0.00 58.31 57.41 3m46 n LYS 108 Cb 0.12 -2.68 -0.12 0.00 0.02 0.00 0.00 35.03 32.37 3m46 n LYS 108 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3m46 s LEU 109 N 7.75 3.24 -0.21 3.14 2.96 -1.00 -4.57 118.68 129.99 3m46 s LEU 109 Ca 1.07 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 3m46 s LEU 109 Cb -0.71 -1.75 0.03 0.00 0.50 0.00 0.00 46.19 44.26 3m46 s LEU 109 CO 0.45 0.26 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.71 3m46 s THR 110 N -0.20 2.40 -0.61 3.68 2.01 -0.28 0.61 115.64 123.24 3m46 s THR 110 Ca 0.03 -1.03 -0.08 0.00 0.31 0.00 0.00 61.69 60.92 3m46 s THR 110 Cb -0.13 -2.14 0.16 0.00 0.01 0.00 0.00 72.50 70.40 3m46 s THR 110 CO 0.02 0.36 0.48 -0.36 -0.69 0.00 0.00 174.62 174.43 3m46 s PHE 111 N 1.29 3.51 -0.86 4.92 0.08 0.12 -1.58 117.98 125.45 3m46 s PHE 111 Ca 0.02 -2.20 -0.20 0.00 0.12 0.00 0.00 56.93 54.67 3m46 s PHE 111 Cb -0.15 -3.48 0.11 0.00 -0.57 0.00 0.00 43.02 38.93 3m46 s PHE 111 CO -0.09 -0.94 1.10 0.34 -0.10 0.00 0.00 175.22 175.53 3m46 s ASP 112 N 1.87 6.49 -0.98 1.36 -1.08 0.11 -1.26 116.67 123.18 3m46 s ASP 112 Ca 0.13 -1.71 -0.03 0.00 -0.52 0.00 0.00 52.55 50.41 3m46 s ASP 112 Cb -0.20 -2.42 0.26 0.00 -1.46 0.00 0.00 42.92 39.11 3m46 s ASP 112 CO -0.04 -1.20 1.06 -0.38 0.52 0.00 0.00 175.17 175.13 3m46 n ILE 113 N 5.71 3.98 -0.75 4.11 5.41 -0.95 -0.10 119.36 136.77 3m46 n ILE 113 Ca 0.17 -5.42 0.00 0.00 1.00 0.00 0.00 62.75 58.50 3m46 n ILE 113 Cb 0.48 -2.32 0.00 0.00 -0.71 0.00 0.00 39.64 37.09 3m46 n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3m46 n GLY 114 N 1.97 0.74 0.11 7.39 0.00 -0.78 0.10 105.19 114.73 3m46 n GLY 114 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 3m46 n GLY 114 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3m46 h TYR 115 N 0.00 0.31 0.00 1.61 3.20 -1.80 -3.25 116.97 117.04 3m46 h TYR 115 Ca 0.00 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 3m46 h TYR 115 Cb 0.00 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3m46 h TYR 115 CO 0.00 0.61 -0.64 1.15 -1.64 0.00 0.00 178.16 177.64 3m46 h THR 116 N -0.08 1.20 -3.25 1.81 2.02 -1.91 -3.46 112.91 109.25 3m46 h THR 116 Ca 0.03 -2.14 -0.46 0.00 0.77 0.00 0.00 66.41 64.61 3m46 h THR 116 Cb 0.53 2.50 -0.38 0.00 -1.74 0.00 0.00 68.15 69.06 3m46 h THR 116 CO 0.02 0.41 -0.77 -0.13 0.37 0.00 0.00 175.52 175.41 3m46 s ARG 117 N -2.26 0.76 0.49 6.66 0.52 -1.26 -5.04 118.95 118.83 3m46 s ARG 117 Ca -0.23 -0.03 0.39 0.00 -0.52 0.00 0.00 55.73 55.34 3m46 s ARG 117 Cb 0.02 -1.25 1.57 0.00 0.52 0.00 0.00 34.95 35.81 3m46 s ARG 117 CO 0.59 -0.35 1.61 1.98 0.02 0.00 0.00 175.30 179.14 3m46 h MET 118 N 8.29 0.03 -0.01 3.54 1.85 -1.88 0.11 114.93 126.86 3m46 h MET 118 Ca -0.21 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.88 3m46 h MET 118 Cb 1.12 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.15 3m46 h MET 118 CO 0.29 0.02 -0.20 -0.40 -0.40 0.00 0.00 176.91 176.23 3m46 n ASP 119 N -4.38 1.51 -4.35 1.39 5.75 -1.26 -4.56 116.55 110.64 3m46 n ASP 119 Ca 0.40 -1.26 -0.33 0.00 -0.01 0.00 0.00 54.79 53.59 3m46 n ASP 119 Cb 1.67 0.14 -0.15 0.00 -1.03 0.00 0.00 41.12 41.76 3m46 n ASP 119 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3m46 s THR 120 N -2.31 2.91 -0.19 2.12 2.01 0.36 0.13 115.64 120.67 3m46 s THR 120 Ca 0.27 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 3m46 s THR 120 Cb 0.20 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 3m46 s THR 120 CO 0.46 0.53 0.03 -0.22 -0.69 0.00 0.00 174.62 174.72 3m46 s LEU 121 N 0.37 3.49 -0.07 4.42 2.96 0.12 -1.86 118.68 128.11 3m46 s LEU 121 Ca -0.12 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 3m46 s LEU 121 Cb -0.16 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.68 3m46 s LEU 121 CO 0.06 0.11 0.04 -0.75 -1.32 0.00 0.00 176.35 174.50 3m46 s LYS 122 N 0.71 0.17 -0.14 1.98 2.20 0.85 -0.60 119.74 124.91 3m46 s LYS 122 Ca 0.01 0.21 -0.03 0.00 -0.36 0.00 0.00 55.97 55.80 3m46 s LYS 122 Cb -0.14 -0.87 -0.03 0.00 -1.51 0.00 0.00 37.83 35.29 3m46 s LYS 122 CO 0.02 -0.37 -0.05 0.08 -0.36 0.00 0.00 175.35 174.67 3m46 s VAL 123 N 2.09 3.82 0.04 4.02 1.01 0.25 0.10 120.40 131.73 3m46 s VAL 123 Ca 0.04 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 3m46 s VAL 123 Cb -0.13 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.61 3m46 s VAL 123 CO -0.05 0.51 0.29 -0.94 0.00 0.00 0.00 175.10 174.91 3m46 s SER 124 N 0.23 -0.11 0.20 3.32 1.04 -0.62 0.22 113.70 117.98 3m46 s SER 124 Ca -0.03 -0.18 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 3m46 s SER 124 Cb -0.14 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.32 3m46 s SER 124 CO 0.03 -0.59 0.38 0.00 0.98 0.00 0.00 173.24 174.04 3m46 h GLU 126 N 2.40 1.03 -6.07 0.00 5.08 -1.86 -1.31 114.58 113.85 3m46 h GLU 126 Ca -0.30 -0.33 -0.57 0.00 -1.00 0.00 0.00 59.36 57.16 3m46 h GLU 126 Cb 1.24 -0.09 -0.25 0.00 0.50 0.00 0.00 28.75 30.15 3m46 h GLU 126 CO 0.43 1.02 -0.84 0.54 -1.00 0.00 0.00 179.01 179.16 3m46 s ASN 127 N -6.60 2.45 -1.32 1.42 2.20 -1.26 -4.21 114.94 107.61 3m46 s ASN 127 Ca -0.11 -0.55 -0.05 0.00 -0.94 0.00 0.00 52.86 51.20 3m46 s ASN 127 Cb 0.14 -0.19 0.12 0.00 -2.00 0.00 0.00 41.25 39.32 3m46 s ASN 127 CO 0.85 0.13 2.38 0.00 -2.94 0.00 0.00 177.10 177.52 3m46 n ALA 128 N 1.69 6.80 -3.78 3.54 0.00 -1.26 -4.66 120.51 122.84 3m46 n ALA 128 Ca -0.18 -4.09 -0.29 0.00 0.00 0.00 0.00 53.44 48.88 3m46 n ALA 128 Cb 0.53 -2.76 -0.13 0.00 0.00 0.00 0.00 19.45 17.09 3m46 n ALA 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3m46 s ASP 129 N 0.35 3.86 0.15 0.00 1.01 -1.25 -2.83 116.67 117.96 3m46 s ASP 129 Ca 0.54 -3.10 -0.24 0.00 0.71 0.00 0.00 52.55 50.45 3m46 s ASP 129 Cb 0.18 -1.27 0.07 0.00 1.01 0.00 0.00 42.92 42.91 3m46 s ASP 129 CO -0.10 -0.20 0.76 -1.48 0.21 0.00 0.00 175.17 174.37 3m46 s LEU 130 N -0.32 -0.38 -0.08 1.23 2.34 -0.62 -4.44 118.68 116.40 3m46 s LEU 130 Ca 0.21 -0.21 0.00 0.00 0.06 0.00 0.00 54.13 54.19 3m46 s LEU 130 Cb -0.16 2.41 -0.03 0.00 -0.56 0.00 0.00 46.19 47.85 3m46 s LEU 130 CO -0.07 -0.96 -0.06 -1.81 -1.06 0.00 0.00 176.35 172.39 3m46 s ASP 131 N -2.76 4.68 -0.25 1.48 1.01 -1.10 -1.81 116.67 117.91 3m46 s ASP 131 Ca 0.06 -0.03 -0.05 0.00 0.71 0.00 0.00 52.55 53.24 3m46 s ASP 131 Cb -0.02 -1.26 -0.00 0.00 1.01 0.00 0.00 42.92 42.65 3m46 s ASP 131 CO -0.05 0.34 0.01 -0.63 0.21 0.00 0.00 175.17 175.06 3m46 s ILE 132 N -0.67 3.64 -0.03 0.77 1.01 0.74 -0.04 121.20 126.62 3m46 s ILE 132 Ca 0.10 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 3m46 s ILE 132 Cb -0.11 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 3m46 s ILE 132 CO 0.02 0.26 0.52 -0.31 0.00 0.00 0.00 174.94 175.43 3m46 s TYR 133 N 1.48 3.65 -0.21 3.97 2.02 -0.43 0.23 117.35 128.06 3m46 s TYR 133 Ca 0.04 1.07 -0.02 0.00 -0.37 0.00 0.00 57.07 57.79 3m46 s TYR 133 Cb -0.16 -2.53 0.00 0.00 -0.40 0.00 0.00 41.96 38.88 3m46 s TYR 133 CO -0.00 0.36 -0.10 0.08 -1.57 0.00 0.00 175.55 174.32 3m46 s VAL 134 N -0.16 2.91 -0.11 0.71 1.01 0.74 -1.51 120.40 123.98 3m46 s VAL 134 Ca 0.28 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 3m46 s VAL 134 Cb -0.17 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3m46 s VAL 134 CO 0.14 0.46 -0.10 -0.63 0.00 0.00 0.00 175.10 174.98 3m46 s ILE 135 N 1.40 3.40 0.23 2.22 1.01 0.07 -1.76 121.20 127.77 3m46 s ILE 135 Ca 0.05 -0.56 0.11 0.00 0.00 0.00 0.00 60.65 60.25 3m46 s ILE 135 Cb -0.14 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 3m46 s ILE 135 CO -0.07 0.54 -0.20 -1.61 0.00 0.00 0.00 174.94 173.61 3m46 s GLU 136 N -0.05 1.52 0.00 2.79 2.02 -0.42 -0.26 118.70 124.30 3m46 s GLU 136 Ca -0.01 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 53.36 3m46 s GLU 136 Cb -0.14 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.48 3m46 s GLU 136 CO 0.03 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.04 3m46 n GLY 137 N -0.22 -1.19 0.33 -1.39 0.00 -1.26 -4.75 105.19 96.71 3m46 n GLY 137 Ca -0.09 -0.90 0.14 0.00 0.00 0.00 0.00 46.02 45.18 3m46 n GLY 137 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m46 h GLU 138 N 0.00 0.06 -2.16 1.61 4.39 -1.95 -3.47 114.58 113.06 3m46 h GLU 138 Ca 0.00 -0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.01 3m46 h GLU 138 Cb 0.00 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.57 3m46 h GLU 138 CO 0.00 0.04 0.85 0.54 -1.16 0.00 0.00 179.01 179.27 3m46 s ASN 139 N -5.02 0.00 0.14 1.42 2.20 -1.26 -5.01 114.94 107.41 3m46 s ASN 139 Ca -0.13 -0.28 -0.18 0.00 -0.94 0.00 0.00 52.86 51.34 3m46 s ASN 139 Cb 0.28 0.20 -0.02 0.00 -2.00 0.00 0.00 41.25 39.71 3m46 s ASN 139 CO 0.77 -0.41 1.78 0.00 -2.94 0.00 0.00 177.10 176.31 3m46 h ALA 140 N 2.00 0.36 -0.51 3.54 0.00 -1.91 -0.94 119.26 121.80 3m46 h ALA 140 Ca -0.23 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.75 3m46 h ALA 140 Cb 1.19 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 3m46 h ALA 140 CO 0.32 -0.21 0.14 -0.92 0.00 0.00 0.00 179.25 178.58 3m46 h TYR 141 N 0.34 0.24 -0.92 0.00 3.20 -1.96 0.32 116.97 118.20 3m46 h TYR 141 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3m46 h TYR 141 Cb -0.00 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 3m46 h TYR 141 CO -0.08 0.04 0.58 0.22 -1.64 0.00 0.00 178.16 177.28 3m46 h ASP 142 N 0.29 1.08 0.49 -2.11 3.58 -1.89 0.55 116.42 118.41 3m46 h ASP 142 Ca 0.25 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 3m46 h ASP 142 Cb 0.32 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3m46 h ASP 142 CO -0.30 0.81 -0.23 0.40 -2.88 0.00 0.00 179.24 177.04 3m46 h ILE 143 N 1.26 0.50 -0.84 2.25 2.04 0.37 -2.31 117.51 120.78 3m46 h ILE 143 Ca 0.33 -0.19 0.21 0.00 1.00 0.00 0.00 64.86 66.21 3m46 h ILE 143 Cb -0.09 0.59 -0.13 0.00 -0.74 0.00 0.00 36.82 36.44 3m46 h ILE 143 CO -0.07 0.03 0.23 0.58 0.00 0.00 0.00 178.15 178.92 3m46 h VAL 144 N -0.77 0.39 -0.33 1.67 2.07 -0.27 -1.80 116.25 117.21 3m46 h VAL 144 Ca -0.07 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 3m46 h VAL 144 Cb 0.56 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3m46 h VAL 144 CO 0.11 0.05 -0.14 0.11 0.02 0.00 0.00 177.57 177.71 3m46 h LYS 145 N 0.25 0.58 -0.27 1.57 1.57 -0.68 0.32 116.57 119.90 3m46 h LYS 145 Ca 0.51 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.96 3m46 h LYS 145 Cb 0.96 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3m46 h LYS 145 CO -0.60 0.70 -0.42 1.96 -0.57 0.00 0.00 179.45 180.53 3m46 h GLN 146 N 0.53 0.67 -0.45 3.15 4.20 -0.78 -2.69 115.11 119.73 3m46 h GLN 146 Ca 0.09 -0.35 -0.09 0.00 0.06 0.00 0.00 58.65 58.36 3m46 h GLN 146 Cb 0.56 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 3m46 h GLN 146 CO 0.04 0.96 -0.07 0.35 -0.67 0.00 0.00 178.83 179.44 3m46 h PHE 147 N 0.55 0.94 0.00 2.96 3.57 -0.64 -1.90 116.94 122.41 3m46 h PHE 147 Ca 0.04 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 3m46 h PHE 147 Cb 0.95 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 3m46 h PHE 147 CO 0.05 0.92 -0.03 0.00 -2.23 0.00 0.00 178.31 177.02 3m46 h ARG 148 N 0.68 0.00 0.00 1.11 2.47 -0.34 -1.74 114.38 116.56 3m46 h ARG 148 Ca 0.12 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.71 3m46 h ARG 148 Cb 0.59 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.89 3m46 h ARG 148 CO 0.04 0.03 -0.60 -0.09 0.56 0.00 0.00 179.97 179.90 3m46 h ARG 149 N 0.00 0.00 0.00 0.04 2.43 -1.01 -3.33 114.38 112.52 3m46 h ARG 149 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3m46 h ARG 149 Cb 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3m46 h ARG 149 CO 0.00 0.60 -1.70 1.33 -1.51 0.00 0.00 179.97 178.69 3m46 n VAL 150 N -3.50 0.48 1.54 0.20 0.24 -0.70 -3.88 118.33 112.72 3m46 n VAL 150 Ca 0.00 -0.58 0.12 0.00 -2.04 0.00 0.00 64.34 61.84 3m46 n VAL 150 Cb 0.68 -0.24 0.51 0.00 -1.47 0.00 0.00 33.84 33.32 3m46 n VAL 150 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3m46 n ILE 151 N -2.51 0.09 -0.58 1.34 -5.35 -0.94 0.57 119.36 112.00 3m46 n ILE 151 Ca -0.07 -0.21 0.07 0.00 -0.27 0.00 0.00 62.75 62.27 3m46 n ILE 151 Cb 0.67 0.16 -0.03 0.00 -1.74 0.00 0.00 39.64 38.70 3m46 n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3m46 n GLY 152 N 1.05 -2.17 3.77 3.28 0.00 -1.25 -4.39 105.19 105.49 3m46 n GLY 152 Ca 0.17 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 3m46 n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m46 s ARG 153 N -2.42 4.24 0.41 1.61 3.52 -1.26 -4.88 118.95 120.17 3m46 s ARG 153 Ca 0.00 2.39 -0.25 0.00 -0.13 0.00 0.00 55.73 57.74 3m46 s ARG 153 Cb 0.00 -3.03 -0.08 0.00 -1.56 0.00 0.00 34.95 30.28 3m46 s ARG 153 CO 0.00 -0.37 1.17 -1.12 -0.81 0.00 0.00 175.30 174.17 3m46 s SER 154 N -0.25 6.44 0.35 -2.12 0.01 -1.26 -4.20 113.70 112.66 3m46 s SER 154 Ca 0.52 2.34 -0.26 0.00 1.31 0.00 0.00 55.95 59.86 3m46 s SER 154 Cb -0.43 -2.61 -0.13 0.00 0.21 0.00 0.00 66.02 63.06 3m46 s SER 154 CO 0.57 -0.73 0.97 0.00 0.41 0.00 0.00 173.24 174.45 3m46 n TYR 155 N -0.05 1.09 -4.27 2.43 9.36 0.82 -4.91 117.16 121.63 3m46 n TYR 155 Ca 0.05 0.64 -0.29 0.00 3.32 0.00 0.00 57.90 61.62 3m46 n TYR 155 Cb 0.47 -2.22 -0.17 0.00 -0.63 0.00 0.00 39.34 36.79 3m46 n TYR 155 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3m46 s ILE 156 N -1.18 1.51 0.62 2.97 1.01 -1.26 -4.74 121.20 120.14 3m46 s ILE 156 Ca 0.60 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 3m46 s ILE 156 Cb -0.64 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3m46 s ILE 156 CO 0.59 0.45 1.03 -2.16 0.00 0.00 0.00 174.94 174.84 3m46 s PRO 157 N 1.20 3.58 1.02 2.79 0.04 -1.26 -4.68 135.00 137.70 3m46 s PRO 157 Ca -0.02 0.76 -0.12 0.00 0.04 0.00 0.00 61.00 61.67 3m46 s PRO 157 Cb -0.14 -2.08 0.20 0.00 0.04 0.00 0.00 34.50 32.52 3m46 s PRO 157 CO -0.05 -0.58 1.08 -1.25 0.04 0.00 0.00 177.00 176.24 3m46 s PRO 158 N -5.14 0.23 0.24 0.56 0.04 -1.26 -4.93 135.00 124.73 3m46 s PRO 158 Ca 0.55 1.05 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 3m46 s PRO 158 Cb -0.11 -1.67 0.24 0.00 0.04 0.00 0.00 34.50 33.00 3m46 s PRO 158 CO 0.53 -3.01 1.75 -0.22 0.04 0.00 0.00 177.00 176.10 3m46 h LYS 159 N -2.12 0.97 -0.23 4.56 3.64 -1.42 -2.29 116.57 119.68 3m46 h LYS 159 Ca -0.53 -0.23 0.07 0.00 -1.27 0.00 0.00 60.65 58.69 3m46 h LYS 159 Cb 1.30 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3m46 h LYS 159 CO 0.49 0.89 0.23 0.27 -2.27 0.00 0.00 179.45 179.06 3m46 h PHE 160 N 0.92 0.00 0.00 1.91 -5.15 -1.92 0.54 116.94 113.24 3m46 h PHE 160 Ca 0.19 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.96 3m46 h PHE 160 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.55 3m46 h PHE 160 CO 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.34 3m46 n ALA 161 N -2.38 1.22 0.97 12.09 0.00 -0.86 -0.89 120.51 130.66 3m46 n ALA 161 Ca 0.03 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.64 3m46 n ALA 161 Cb 0.37 -1.22 0.26 0.00 0.00 0.00 0.00 19.45 18.86 3m46 n ALA 161 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3m46 n PHE 162 N -1.92 0.38 -0.60 0.00 3.72 0.19 -4.64 117.46 114.58 3m46 n PHE 162 Ca 0.00 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3m46 n PHE 162 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3m46 n PHE 162 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3m46 n GLY 163 N 1.13 0.39 3.60 1.37 0.00 -0.07 -4.89 105.19 106.72 3m46 n GLY 163 Ca 0.14 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 3m46 n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m46 s PHE 164 N 0.74 2.83 0.10 1.61 5.36 -1.26 -4.45 117.98 122.91 3m46 s PHE 164 Ca 0.00 -0.10 0.03 0.00 -0.96 0.00 0.00 56.93 55.90 3m46 s PHE 164 Cb 0.00 -1.50 -0.04 0.00 -0.34 0.00 0.00 43.02 41.14 3m46 s PHE 164 CO 0.00 0.42 -0.09 0.20 -1.46 0.00 0.00 175.22 174.29 3m46 s GLY 165 N -2.03 0.82 0.01 13.12 0.00 -0.87 -1.26 107.32 117.11 3m46 s GLY 165 Ca 0.21 -1.23 -0.00 0.00 0.00 0.00 0.00 44.72 43.70 3m46 s GLY 165 CO 0.13 -1.31 -0.00 1.62 0.00 0.00 0.00 173.10 173.54 3m46 s GLN 166 N -3.06 0.14 0.34 2.90 2.00 -0.96 -0.49 119.66 120.53 3m46 s GLN 166 Ca 0.07 -0.25 -0.04 0.00 -2.00 0.00 0.00 55.36 53.14 3m46 s GLN 166 Cb -0.01 0.05 0.01 0.00 0.80 0.00 0.00 33.01 33.86 3m46 s GLN 166 CO -0.01 -0.02 0.50 -1.54 -0.50 0.00 0.00 175.29 173.72 3m46 s SER 167 N -0.62 0.75 -0.30 6.67 1.04 -0.03 -1.34 113.70 119.88 3m46 s SER 167 Ca -0.07 -1.41 -0.14 0.00 0.48 0.00 0.00 55.95 54.81 3m46 s SER 167 Cb -0.04 0.68 0.15 0.00 0.10 0.00 0.00 66.02 66.91 3m46 s SER 167 CO -0.00 -1.32 0.90 -0.60 0.98 0.00 0.00 173.24 173.19 3m46 s ARG 168 N -3.05 0.37 0.05 4.02 3.52 -1.26 -3.34 118.95 119.27 3m46 s ARG 168 Ca 0.28 0.91 -0.35 0.00 -0.13 0.00 0.00 55.73 56.45 3m46 s ARG 168 Cb -0.01 0.52 -0.14 0.00 -1.56 0.00 0.00 34.95 33.76 3m46 s ARG 168 CO 0.19 -0.12 1.59 1.87 -0.81 0.00 0.00 175.30 178.01 3m46 n TRP 169 N 5.00 2.06 0.00 5.12 -0.00 -0.59 -2.04 117.44 126.99 3m46 n TRP 169 Ca -0.11 0.34 0.00 0.00 -0.00 0.00 0.00 57.50 57.73 3m46 n TRP 169 Cb 0.52 -2.50 0.00 0.00 -0.00 0.00 0.00 31.31 29.33 3m46 n TRP 169 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3m46 n GLY 170 N 3.45 1.93 3.69 5.87 0.00 -1.26 -3.25 105.19 115.63 3m46 n GLY 170 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3m46 n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m46 s TYR 171 N -1.88 3.10 0.16 1.61 2.02 -0.87 -4.84 117.35 116.65 3m46 s TYR 171 Ca 0.00 1.05 0.00 0.00 -0.37 0.00 0.00 57.07 57.75 3m46 s TYR 171 Cb 0.00 -3.53 0.00 0.00 -0.40 0.00 0.00 41.96 38.03 3m46 s TYR 171 CO 0.00 -1.82 0.00 2.41 -1.57 0.00 0.00 175.55 174.57 3m46 n THR 172 N 4.49 0.35 -3.03 -0.71 -1.04 -1.26 -4.47 114.28 108.60 3m46 n THR 172 Ca 0.12 0.11 -0.24 0.00 -2.04 0.00 0.00 64.05 62.00 3m46 n THR 172 Cb 0.45 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 3m46 n THR 172 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3m46 s THR 173 N -2.00 4.51 0.45 12.58 -4.23 -1.26 -4.78 115.64 120.90 3m46 s THR 173 Ca 0.00 -0.34 0.20 0.00 -1.18 0.00 0.00 61.69 60.37 3m46 s THR 173 Cb 0.00 -3.67 0.39 0.00 1.34 0.00 0.00 72.50 70.56 3m46 s THR 173 CO 0.00 -0.51 1.88 0.11 -0.54 0.00 0.00 174.62 175.57 3m46 h LYS 174 N 0.45 0.31 -0.58 3.99 1.57 -1.99 -2.26 116.57 118.06 3m46 h LYS 174 Ca -0.47 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 3m46 h LYS 174 Cb 1.23 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3m46 h LYS 174 CO 0.60 0.20 0.01 0.93 -0.57 0.00 0.00 179.45 180.62 3m46 h GLU 175 N 0.32 1.00 -0.34 3.15 4.39 -1.94 0.28 114.58 121.44 3m46 h GLU 175 Ca 0.43 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.84 3m46 h GLU 175 Cb 1.17 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 3m46 h GLU 175 CO -0.13 0.98 0.20 -0.44 -1.16 0.00 0.00 179.01 178.47 3m46 h ASP 176 N 0.92 0.34 -0.13 1.42 3.32 -1.79 0.16 116.42 120.66 3m46 h ASP 176 Ca 0.17 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 3m46 h ASP 176 Cb 0.52 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 3m46 h ASP 176 CO 0.03 0.24 -0.58 -0.26 -1.72 0.00 0.00 179.24 176.95 3m46 h PHE 177 N 0.42 0.92 -0.81 4.55 0.04 -1.49 -3.01 116.94 117.56 3m46 h PHE 177 Ca 0.13 -0.34 0.10 0.00 2.80 0.00 0.00 57.97 60.66 3m46 h PHE 177 Cb -0.01 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 37.89 3m46 h PHE 177 CO -0.07 1.13 0.45 0.00 -0.60 0.00 0.00 178.31 179.23 3m46 h ARG 178 N 0.55 0.74 -0.08 1.51 3.08 -0.25 -2.89 114.38 117.04 3m46 h ARG 178 Ca 0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3m46 h ARG 178 Cb 1.17 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 3m46 h ARG 178 CO 0.12 0.49 0.07 0.00 -1.07 0.00 0.00 179.97 179.58 3m46 h ALA 179 N 1.45 1.85 0.02 0.04 0.00 -0.54 -2.75 119.26 119.33 3m46 h ALA 179 Ca 0.39 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 55.02 3m46 h ALA 179 Cb 0.37 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3m46 h ALA 179 CO -0.25 -0.12 -1.54 0.28 0.00 0.00 0.00 179.25 177.62 3m46 n VAL 180 N -4.15 1.58 -0.35 0.00 0.31 -1.10 -2.07 118.33 112.54 3m46 n VAL 180 Ca -0.01 -0.18 0.24 0.00 -0.01 0.00 0.00 64.34 64.38 3m46 n VAL 180 Cb 0.18 -1.96 0.50 0.00 -0.91 0.00 0.00 33.84 31.65 3m46 n VAL 180 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m46 h ALA 181 N -0.43 2.17 0.11 3.52 0.00 -1.54 0.14 119.26 123.23 3m46 h ALA 181 Ca -0.40 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3m46 h ALA 181 Cb 1.48 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3m46 h ALA 181 CO -0.17 -0.67 -0.05 -0.22 0.00 0.00 0.00 179.25 178.14 3m46 h LYS 182 N 0.37 -0.14 -0.60 0.00 3.64 -1.56 -1.29 116.57 116.99 3m46 h LYS 182 Ca 0.67 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 60.12 3m46 h LYS 182 Cb 1.66 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 33.42 3m46 h LYS 182 CO -0.42 0.36 -0.49 0.78 -2.27 0.00 0.00 179.45 177.41 3m46 h GLY 183 N -0.80 -1.13 0.56 5.01 0.00 -0.79 -1.43 103.07 104.49 3m46 h GLY 183 Ca -0.01 0.80 -0.01 0.00 0.00 0.00 0.00 47.33 48.11 3m46 h GLY 183 CO 0.02 -0.16 -0.05 -0.97 0.00 0.00 0.00 176.54 175.38 3m46 h TYR 184 N -0.17 -0.14 -0.18 5.60 -1.99 -1.07 -2.53 116.97 116.49 3m46 h TYR 184 Ca 0.10 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 3m46 h TYR 184 Cb 0.43 0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 3m46 h TYR 184 CO -0.86 0.27 -0.10 0.00 -0.00 0.00 0.00 178.16 177.47 3m46 h ARG 185 N -0.59 0.28 0.00 4.88 2.47 -1.25 0.24 114.38 120.42 3m46 h ARG 185 Ca -0.02 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3m46 h ARG 185 Cb 0.47 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3m46 h ARG 185 CO 0.02 0.40 -1.06 0.39 0.56 0.00 0.00 179.97 180.28 3m46 n GLU 186 N -4.28 0.53 -0.13 0.04 1.02 -0.54 -2.96 120.64 114.32 3m46 n GLU 186 Ca -0.00 0.07 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 3m46 n GLU 186 Cb 0.26 -1.75 0.22 0.00 -0.02 0.00 0.00 31.44 30.15 3m46 n GLU 186 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3m46 n ASN 187 N -2.47 3.10 -2.20 1.62 4.13 -0.95 -4.97 115.26 113.51 3m46 n ASN 187 Ca 0.00 -1.95 -0.20 0.00 1.68 0.00 0.00 54.58 54.12 3m46 n ASN 187 Cb 0.52 -0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.56 3m46 n ASN 187 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3m46 n HIS 188 N 1.29 -0.82 -2.22 3.10 8.25 0.65 -4.97 115.22 120.51 3m46 n HIS 188 Ca 0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 3m46 n HIS 188 Cb 0.57 -3.70 -0.03 0.00 1.12 0.00 0.00 29.99 27.95 3m46 n HIS 188 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3m46 s ILE 189 N -2.91 3.64 0.76 1.59 1.01 -0.06 -4.93 121.20 120.30 3m46 s ILE 189 Ca 0.00 1.08 -0.14 0.00 0.00 0.00 0.00 60.65 61.59 3m46 s ILE 189 Cb 0.00 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.83 3m46 s ILE 189 CO 0.00 0.02 1.18 -2.84 0.00 0.00 0.00 174.94 173.29 3m46 s PRO 190 N 2.09 2.03 0.00 2.79 0.02 -1.26 -4.47 135.00 136.20 3m46 s PRO 190 Ca 0.64 1.63 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3m46 s PRO 190 Cb -0.32 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3m46 s PRO 190 CO 0.27 -1.89 0.00 1.51 -0.33 0.00 0.00 177.00 176.56 3m46 n ILE 191 N -3.01 0.00 0.00 2.83 3.06 -0.53 -4.85 119.36 116.85 3m46 n ILE 191 Ca 0.12 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.37 3m46 n ILE 191 Cb 0.51 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.69 3m46 n ILE 191 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3m46 n ASP 192 N 0.00 3.93 -4.03 9.51 8.00 -0.39 -4.45 116.55 129.11 3m46 n ASP 192 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 3m46 n ASP 192 Cb 0.00 0.77 -0.13 0.00 -0.02 0.00 0.00 41.12 41.74 3m46 n ASP 192 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3m46 s MET 193 N -1.58 0.53 -0.07 -1.24 -1.94 -0.92 -0.79 119.30 113.29 3m46 s MET 193 Ca 0.00 -0.56 0.01 0.00 -1.71 0.00 0.00 55.69 53.43 3m46 s MET 193 Cb 0.00 -0.40 0.02 0.00 2.01 0.00 0.00 34.83 36.46 3m46 s MET 193 CO 0.00 0.09 -0.07 0.42 -0.01 0.00 0.00 175.02 175.45 3m46 s ILE 194 N -0.88 0.84 0.18 2.53 1.01 -0.49 -2.27 121.20 122.11 3m46 s ILE 194 Ca -0.05 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 3m46 s ILE 194 Cb -0.07 -0.84 -0.08 0.00 0.01 0.00 0.00 42.46 41.49 3m46 s ILE 194 CO 0.00 0.31 0.66 -0.31 0.00 0.00 0.00 174.94 175.60 3m46 s TYR 195 N 1.15 3.67 -0.31 3.97 1.51 -0.45 -0.21 117.35 126.69 3m46 s TYR 195 Ca -0.06 1.29 -0.08 0.00 -1.01 0.00 0.00 57.07 57.20 3m46 s TYR 195 Cb -0.14 -2.54 0.00 0.00 -0.11 0.00 0.00 41.96 39.18 3m46 s TYR 195 CO -0.01 0.40 0.12 -1.64 -1.11 0.00 0.00 175.55 173.31 3m46 s MET 196 N -1.82 3.17 0.93 -0.62 -1.94 0.42 -4.49 119.30 114.95 3m46 s MET 196 Ca 0.39 -0.82 -0.14 0.00 -1.71 0.00 0.00 55.69 53.41 3m46 s MET 196 Cb -0.17 -3.47 0.18 0.00 2.01 0.00 0.00 34.83 33.38 3m46 s MET 196 CO 0.20 -0.45 1.28 0.34 -0.01 0.00 0.00 175.02 176.39 3m46 s ASP 197 N 1.55 3.36 0.56 3.03 3.68 -1.26 -2.30 116.67 125.28 3m46 s ASP 197 Ca 0.03 0.26 0.29 0.00 2.13 0.00 0.00 52.55 55.26 3m46 s ASP 197 Cb -0.17 -0.37 1.47 0.00 -1.45 0.00 0.00 42.92 42.39 3m46 s ASP 197 CO 0.04 -2.58 1.93 0.16 0.13 0.00 0.00 175.17 174.85 3m46 h ILE 198 N -1.49 0.51 0.00 4.11 3.07 -1.92 -2.88 117.51 118.92 3m46 h ILE 198 Ca -0.44 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.97 3m46 h ILE 198 Cb 1.25 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 3m46 h ILE 198 CO 0.41 0.00 0.07 0.47 -1.05 0.00 0.00 178.15 178.05 3m46 n ASP 199 N -4.03 0.43 0.03 2.16 8.00 -1.26 -2.16 116.55 119.72 3m46 n ASP 199 Ca 0.11 0.67 0.13 0.00 0.71 0.00 0.00 54.79 56.41 3m46 n ASP 199 Cb 0.72 -0.71 0.53 0.00 -0.02 0.00 0.00 41.12 41.64 3m46 n ASP 199 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m46 n TYR 200 N -2.09 0.27 -1.80 1.24 0.18 -1.09 -4.83 117.16 109.04 3m46 n TYR 200 Ca -0.01 0.08 -0.30 0.00 1.88 0.00 0.00 57.90 59.55 3m46 n TYR 200 Cb 0.09 -0.64 0.20 0.00 -0.38 0.00 0.00 39.34 38.62 3m46 n TYR 200 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3m46 s MET 201 N -3.04 0.19 -0.58 -3.48 1.00 -0.92 -0.66 119.30 111.81 3m46 s MET 201 Ca 0.12 -0.42 -0.19 0.00 0.00 0.00 0.00 55.69 55.20 3m46 s MET 201 Cb 0.16 -1.79 0.09 0.00 0.00 0.00 0.00 34.83 33.28 3m46 s MET 201 CO 0.51 -2.71 0.72 -1.14 0.00 0.00 0.00 175.02 172.40 3m46 s GLN 202 N -5.86 3.07 -1.51 2.03 2.00 -1.26 -3.59 119.66 114.55 3m46 s GLN 202 Ca 0.75 -1.18 -0.13 0.00 -2.00 0.00 0.00 55.36 52.80 3m46 s GLN 202 Cb -0.04 -4.23 0.07 0.00 0.80 0.00 0.00 33.01 29.62 3m46 s GLN 202 CO 0.54 -1.51 1.00 -0.25 -0.50 0.00 0.00 175.29 174.57 3m46 n ASP 203 N 6.45 -4.85 -1.54 6.67 8.00 -1.26 -1.31 116.55 128.70 3m46 n ASP 203 Ca -0.08 -0.75 -0.20 0.00 0.71 0.00 0.00 54.79 54.46 3m46 n ASP 203 Cb 0.43 -4.03 -0.08 0.00 -0.02 0.00 0.00 41.12 37.42 3m46 n ASP 203 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3m46 n PHE 204 N -4.71 -0.02 -2.57 1.24 3.72 -1.26 -4.69 117.46 109.17 3m46 n PHE 204 Ca 0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 3m46 n PHE 204 Cb 0.54 -3.36 -0.02 0.00 -0.94 0.00 0.00 39.48 35.69 3m46 n PHE 204 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3m46 s LYS 205 N -3.72 4.31 0.01 -1.08 1.02 -0.43 -4.75 119.74 115.11 3m46 s LYS 205 Ca 0.00 1.51 -0.37 0.00 0.02 0.00 0.00 55.97 57.13 3m46 s LYS 205 Cb 0.00 -3.63 -0.16 0.00 -0.52 0.00 0.00 37.83 33.52 3m46 s LYS 205 CO 0.00 -0.53 1.48 -0.25 -0.92 0.00 0.00 175.35 175.13 3m46 n ASP 206 N 5.84 2.08 -0.43 2.83 9.92 -1.26 -2.88 116.55 132.65 3m46 n ASP 206 Ca 0.11 1.10 -0.04 0.00 -0.53 0.00 0.00 54.79 55.43 3m46 n ASP 206 Cb 0.46 -1.22 -0.00 0.00 -0.64 0.00 0.00 41.12 39.72 3m46 n ASP 206 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3m46 n PHE 207 N 3.43 -0.18 -4.28 1.24 3.72 -1.26 -4.95 117.46 115.19 3m46 n PHE 207 Ca 0.20 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.39 3m46 n PHE 207 Cb 0.20 -1.53 -0.12 0.00 -0.94 0.00 0.00 39.48 37.09 3m46 n PHE 207 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3m46 s THR 208 N -2.19 1.61 0.17 4.37 -4.23 -1.14 -4.98 115.64 109.25 3m46 s THR 208 Ca 0.00 -1.72 0.06 0.00 -1.18 0.00 0.00 61.69 58.86 3m46 s THR 208 Cb 0.00 -1.62 -0.04 0.00 1.34 0.00 0.00 72.50 72.18 3m46 s THR 208 CO 0.00 -0.26 0.06 0.68 -0.54 0.00 0.00 174.62 174.55 3m46 s VAL 209 N -1.77 4.05 -0.28 2.29 -7.23 -1.26 -4.16 120.40 112.03 3m46 s VAL 209 Ca 0.10 -1.27 -0.28 0.00 -1.81 0.00 0.00 61.98 58.72 3m46 s VAL 209 Cb -0.07 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 3m46 s VAL 209 CO 0.05 -0.10 1.91 0.21 -0.31 0.00 0.00 175.10 176.85 3m46 s ASN 210 N -2.99 5.81 0.26 4.85 3.84 0.16 -4.18 114.94 122.71 3m46 s ASN 210 Ca 0.29 1.52 -0.02 0.00 0.21 0.00 0.00 52.86 54.85 3m46 s ASN 210 Cb -0.10 -2.52 0.42 0.00 -0.55 0.00 0.00 41.25 38.50 3m46 s ASN 210 CO 0.21 -1.73 1.87 -0.33 -2.79 0.00 0.00 177.10 174.32 3m46 h GLU 211 N 13.29 1.09 0.15 0.43 5.08 -1.90 0.11 114.58 132.82 3m46 h GLU 211 Ca -0.36 -0.07 -0.31 0.00 -1.00 0.00 0.00 59.36 57.63 3m46 h GLU 211 Cb 1.19 -0.25 0.03 0.00 0.50 0.00 0.00 28.75 30.22 3m46 h GLU 211 CO 1.01 0.72 -1.30 -0.22 -1.00 0.00 0.00 179.01 178.22 3m46 h LYS 212 N 1.12 0.60 0.00 2.33 3.64 -2.00 -3.13 116.57 119.13 3m46 h LYS 212 Ca 0.44 -0.84 -0.16 0.00 -1.27 0.00 0.00 60.65 58.81 3m46 h LYS 212 Cb 0.22 0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3m46 h LYS 212 CO -0.19 1.39 -0.78 -0.91 -2.27 0.00 0.00 179.45 176.69 3m46 h ASN 213 N 0.25 0.00 -2.68 4.20 2.35 -1.92 -3.41 115.58 114.38 3m46 h ASN 213 Ca -0.20 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.94 3m46 h ASN 213 Cb 1.97 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.93 3m46 h ASN 213 CO 0.25 0.78 -0.73 0.49 -1.65 0.00 0.00 177.43 176.57 3m46 n PHE 214 N -3.54 1.84 0.16 1.19 3.72 0.37 -4.21 117.46 116.99 3m46 n PHE 214 Ca -0.00 -3.95 0.04 0.00 -0.05 0.00 0.00 57.45 53.48 3m46 n PHE 214 Cb 0.77 -0.34 0.18 0.00 -0.94 0.00 0.00 39.48 39.15 3m46 n PHE 214 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3m46 h PRO 215 N 5.19 0.00 -2.41 -1.08 0.13 -1.78 -3.36 132.00 128.69 3m46 h PRO 215 Ca 0.19 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.73 3m46 h PRO 215 Cb 0.79 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.53 3m46 h PRO 215 CO 0.62 0.46 -0.90 -3.47 -0.23 0.00 0.00 178.00 174.48 3m46 n ASP 216 N -3.37 0.67 -0.09 1.44 2.03 -1.26 -5.01 116.55 110.96 3m46 n ASP 216 Ca 0.01 -2.69 -0.10 0.00 0.52 0.00 0.00 54.79 52.53 3m46 n ASP 216 Cb 0.63 -0.62 -0.04 0.00 -0.72 0.00 0.00 41.12 40.37 3m46 n ASP 216 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3m46 h PHE 217 N 5.12 -1.14 -0.53 -0.67 3.57 -1.98 -1.28 116.94 120.03 3m46 h PHE 217 Ca 0.20 0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.86 3m46 h PHE 217 Cb 0.85 0.54 -0.10 0.00 2.79 0.00 0.00 35.95 40.03 3m46 h PHE 217 CO 0.40 -0.43 -0.16 -1.35 -2.23 0.00 0.00 178.31 174.54 3m46 h PRO 218 N -0.35 -0.03 -1.00 6.41 0.11 -1.95 0.77 132.00 135.95 3m46 h PRO 218 Ca 0.13 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.39 3m46 h PRO 218 Cb 0.58 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 31.61 3m46 h PRO 218 CO -0.51 -0.02 0.62 0.93 -0.21 0.00 0.00 178.00 178.81 3m46 h GLU 219 N -0.03 0.87 -0.25 1.05 5.08 -1.74 0.03 114.58 119.59 3m46 h GLU 219 Ca 0.25 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.38 3m46 h GLU 219 Cb 0.42 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3m46 h GLU 219 CO -0.56 0.57 -0.56 0.35 -1.00 0.00 0.00 179.01 177.81 3m46 h PHE 220 N 0.89 0.98 -0.75 4.33 3.57 0.99 0.29 116.94 127.24 3m46 h PHE 220 Ca 0.53 -0.36 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3m46 h PHE 220 Cb 0.66 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3m46 h PHE 220 CO -0.00 1.16 0.39 0.28 -2.23 0.00 0.00 178.31 177.91 3m46 h VAL 221 N 0.59 1.23 -0.29 1.41 2.07 0.75 -1.91 116.25 120.10 3m46 h VAL 221 Ca 0.01 -0.61 -0.15 0.00 0.82 0.00 0.00 66.70 66.77 3m46 h VAL 221 Cb 1.16 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3m46 h VAL 221 CO 0.12 0.26 -0.43 0.50 0.02 0.00 0.00 177.57 178.04 3m46 h LYS 222 N 1.04 0.73 -0.51 1.57 3.64 -0.97 -0.12 116.57 121.94 3m46 h LYS 222 Ca 0.26 -0.39 0.10 0.00 -1.27 0.00 0.00 60.65 59.34 3m46 h LYS 222 Cb 0.07 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.82 3m46 h LYS 222 CO -0.04 1.01 0.02 1.49 -2.27 0.00 0.00 179.45 179.66 3m46 h GLU 223 N 0.59 0.13 -0.24 1.90 4.81 -0.42 -0.35 114.58 120.99 3m46 h GLU 223 Ca 0.04 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 3m46 h GLU 223 Cb 0.98 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 3m46 h GLU 223 CO 0.09 0.09 -0.20 0.52 -0.73 0.00 0.00 179.01 178.78 3m46 h MET 224 N 0.13 0.56 0.00 1.92 2.86 -1.11 -3.13 114.93 116.16 3m46 h MET 224 Ca 0.26 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3m46 h MET 224 Cb 0.39 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 3m46 h MET 224 CO -0.41 0.86 -0.06 -0.22 1.06 0.00 0.00 176.91 178.14 3m46 h LYS 225 N 0.27 0.00 0.00 1.72 3.64 -0.54 -0.57 116.57 121.10 3m46 h LYS 225 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3m46 h LYS 225 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3m46 h LYS 225 CO 0.05 0.06 0.00 -0.25 -2.27 0.00 0.00 179.45 177.04 3m46 n ASP 226 N -4.23 0.48 -0.85 4.20 9.92 -0.18 -1.88 116.55 124.01 3m46 n ASP 226 Ca -0.03 0.63 0.06 0.00 -0.53 0.00 0.00 54.79 54.92 3m46 n ASP 226 Cb 0.14 -0.73 0.23 0.00 -0.64 0.00 0.00 41.12 40.12 3m46 n ASP 226 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3m46 n GLN 227 N -2.05 2.44 -3.91 -1.24 6.02 -0.45 -4.96 117.38 113.24 3m46 n GLN 227 Ca 0.02 -2.89 -0.27 0.00 -0.01 0.00 0.00 57.00 53.85 3m46 n GLN 227 Cb 0.19 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.65 3m46 n GLN 227 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3m46 n GLU 228 N -0.79 -4.12 -4.01 -1.09 -0.58 -0.79 -5.00 120.64 104.27 3m46 n GLU 228 Ca 0.24 0.49 -0.34 0.00 -0.42 0.00 0.00 57.16 57.13 3m46 n GLU 228 Cb 0.90 -4.95 -0.15 0.00 -0.57 0.00 0.00 31.44 26.66 3m46 n GLU 228 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3m46 s LEU 229 N -6.98 2.60 -0.31 -4.62 1.43 -0.35 -4.42 118.68 106.03 3m46 s LEU 229 Ca 0.22 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 3m46 s LEU 229 Cb -0.11 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 3m46 s LEU 229 CO 0.86 -0.03 0.31 -0.13 0.23 0.00 0.00 176.35 177.59 3m46 s ARG 230 N 1.37 3.76 -0.08 1.70 0.52 0.03 -2.69 118.95 123.56 3m46 s ARG 230 Ca 0.05 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 3m46 s ARG 230 Cb -0.14 -3.73 -0.03 0.00 0.52 0.00 0.00 34.95 31.56 3m46 s ARG 230 CO -0.08 -0.37 1.31 -0.51 0.02 0.00 0.00 175.30 175.67 3m46 s LEU 231 N 1.93 4.26 -0.45 2.53 1.43 -1.26 -1.40 118.68 125.73 3m46 s LEU 231 Ca 0.11 1.89 0.01 0.00 -1.03 0.00 0.00 54.13 55.10 3m46 s LEU 231 Cb -0.16 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.63 3m46 s LEU 231 CO 0.11 -0.70 0.21 -0.63 0.23 0.00 0.00 176.35 175.56 3m46 s ILE 232 N 2.82 2.92 0.42 -0.59 -1.09 0.71 -4.54 121.20 121.86 3m46 s ILE 232 Ca 0.59 -2.55 -0.12 0.00 -2.23 0.00 0.00 60.65 56.34 3m46 s ILE 232 Cb -0.26 -3.02 -0.07 0.00 -1.58 0.00 0.00 42.46 37.52 3m46 s ILE 232 CO 0.21 -0.72 0.82 -2.16 -1.23 0.00 0.00 174.94 171.87 3m46 s PRO 233 N 0.58 3.85 0.17 2.79 0.04 -1.23 -0.44 135.00 140.76 3m46 s PRO 233 Ca 0.12 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 3m46 s PRO 233 Cb -0.22 -2.33 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 3m46 s PRO 233 CO -0.04 -0.08 0.52 -1.50 0.04 0.00 0.00 177.00 175.94 3m46 s ILE 234 N -2.40 4.94 -0.04 0.56 2.07 -0.97 -2.34 121.20 123.02 3m46 s ILE 234 Ca 0.53 0.57 0.03 0.00 -1.41 0.00 0.00 60.65 60.38 3m46 s ILE 234 Cb -0.10 -3.66 0.00 0.00 0.13 0.00 0.00 42.46 38.83 3m46 s ILE 234 CO 0.30 0.10 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.67 3m46 s ILE 235 N -1.62 1.09 0.15 2.00 -1.09 -0.03 -4.91 121.20 116.78 3m46 s ILE 235 Ca 0.41 -0.51 0.05 0.00 -2.23 0.00 0.00 60.65 58.37 3m46 s ILE 235 Cb -0.13 -0.96 -0.04 0.00 -1.58 0.00 0.00 42.46 39.75 3m46 s ILE 235 CO 0.20 0.33 0.10 -1.81 -1.23 0.00 0.00 174.94 172.53 3m46 s ASP 236 N 0.24 5.37 0.34 3.58 1.01 -1.26 -2.16 116.67 123.79 3m46 s ASP 236 Ca -0.06 -0.15 0.06 0.00 0.71 0.00 0.00 52.55 53.11 3m46 s ASP 236 Cb -0.11 -1.37 0.73 0.00 1.01 0.00 0.00 42.92 43.18 3m46 s ASP 236 CO 0.02 0.10 1.90 0.00 0.21 0.00 0.00 175.17 177.39 3m46 h ALA 237 N 2.69 1.72 -2.42 5.23 0.00 -1.75 -3.43 119.26 121.30 3m46 h ALA 237 Ca -0.47 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 53.88 3m46 h ALA 237 Cb 1.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3m46 h ALA 237 CO 0.63 0.09 0.37 0.20 0.00 0.00 0.00 179.25 180.54 3m46 s GLY 238 N -3.58 2.65 -0.25 0.00 0.00 -1.26 -4.27 107.32 100.61 3m46 s GLY 238 Ca -0.10 0.39 -0.13 0.00 0.00 0.00 0.00 44.72 44.88 3m46 s GLY 238 CO 0.79 1.66 0.26 0.14 0.00 0.00 0.00 173.10 175.94 3m46 s VAL 239 N 1.32 5.28 0.40 1.40 1.01 -0.70 -4.68 120.40 124.43 3m46 s VAL 239 Ca 0.47 0.36 -0.24 0.00 0.00 0.00 0.00 61.98 62.57 3m46 s VAL 239 Cb -0.19 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 3m46 s VAL 239 CO 0.22 0.27 0.85 1.17 0.00 0.00 0.00 175.10 177.61 3m46 n LYS 240 N 4.73 1.05 -2.91 2.72 4.81 -1.26 -1.42 118.16 125.88 3m46 n LYS 240 Ca -0.12 0.38 -0.43 0.00 -0.87 0.00 0.00 58.31 57.26 3m46 n LYS 240 Cb 0.52 -1.82 -0.04 0.00 0.02 0.00 0.00 35.03 33.70 3m46 n LYS 240 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3m46 s VAL 241 N -1.30 4.44 -0.05 3.15 1.01 0.14 -4.66 120.40 123.12 3m46 s VAL 241 Ca 0.63 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3m46 s VAL 241 Cb -0.60 -4.64 0.04 0.00 0.00 0.00 0.00 36.38 31.18 3m46 s VAL 241 CO 0.57 -1.37 0.11 -0.70 0.00 0.00 0.00 175.10 173.71 3m46 s GLU 242 N 3.75 0.03 0.05 2.72 2.12 -1.26 -4.88 118.70 121.23 3m46 s GLU 242 Ca 0.20 0.37 -0.30 0.00 0.36 0.00 0.00 54.97 55.59 3m46 s GLU 242 Cb -0.18 -0.26 -0.08 0.00 0.26 0.00 0.00 34.13 33.87 3m46 s GLU 242 CO 0.09 -0.22 1.67 0.21 -0.54 0.00 0.00 175.26 176.48 3m46 s LYS 243 N 1.50 4.19 0.00 4.30 2.47 -1.26 -1.99 119.74 128.95 3m46 s LYS 243 Ca -0.05 2.32 0.00 0.00 -1.56 0.00 0.00 55.97 56.68 3m46 s LYS 243 Cb -0.12 -3.69 0.00 0.00 -1.46 0.00 0.00 37.83 32.56 3m46 s LYS 243 CO -0.05 -0.76 0.00 0.41 0.16 0.00 0.00 175.35 175.11 3m46 n GLY 244 N 4.04 0.97 3.64 5.54 0.00 -1.26 -5.02 105.19 113.10 3m46 n GLY 244 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3m46 n GLY 244 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3m46 s TYR 245 N -2.36 2.64 0.23 1.61 5.04 -0.84 -4.93 117.35 118.73 3m46 s TYR 245 Ca 0.00 0.85 -0.06 0.00 -2.44 0.00 0.00 57.07 55.42 3m46 s TYR 245 Cb 0.00 -3.77 0.22 0.00 0.35 0.00 0.00 41.96 38.76 3m46 s TYR 245 CO 0.00 -1.97 1.80 1.49 -1.34 0.00 0.00 175.55 175.53 3m46 h GLU 246 N 9.10 1.12 0.51 4.97 4.81 -1.96 -0.76 114.58 132.37 3m46 h GLU 246 Ca -0.28 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 3m46 h GLU 246 Cb 1.11 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.31 3m46 h GLU 246 CO 1.00 0.92 -0.24 0.28 -0.73 0.00 0.00 179.01 180.23 3m46 h VAL 247 N 1.09 0.47 -0.86 0.32 2.07 -1.92 -0.51 116.25 116.92 3m46 h VAL 247 Ca 0.25 -0.20 0.12 0.00 0.82 0.00 0.00 66.70 67.69 3m46 h VAL 247 Cb 0.22 0.56 -0.14 0.00 -1.52 0.00 0.00 31.29 30.41 3m46 h VAL 247 CO -0.02 0.03 -0.43 0.22 0.02 0.00 0.00 177.57 177.39 3m46 h TYR 248 N -0.81 -1.26 -0.54 1.57 3.20 -1.79 0.12 116.97 117.45 3m46 h TYR 248 Ca -0.07 0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3m46 h TYR 248 Cb 0.58 0.67 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 3m46 h TYR 248 CO -0.01 -0.40 0.34 0.93 -1.64 0.00 0.00 178.16 177.38 3m46 h GLU 249 N -0.07 0.67 -0.24 1.82 4.39 -0.64 0.67 114.58 121.18 3m46 h GLU 249 Ca 0.26 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.82 3m46 h GLU 249 Cb 0.55 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3m46 h GLU 249 CO -0.88 0.44 -0.29 0.93 -1.16 0.00 0.00 179.01 178.06 3m46 h GLU 250 N 0.69 0.49 -0.45 2.33 5.08 -0.89 -0.08 114.58 121.76 3m46 h GLU 250 Ca 0.21 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3m46 h GLU 250 Cb -0.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3m46 h GLU 250 CO -0.07 0.73 0.27 0.78 -1.00 0.00 0.00 179.01 179.72 3m46 h GLY 251 N 1.04 0.65 0.61 -3.84 0.00 -0.06 0.01 103.07 101.48 3m46 h GLY 251 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3m46 h GLY 251 CO 0.06 0.26 -0.06 -2.08 0.00 0.00 0.00 176.54 174.72 3m46 h VAL 252 N 0.60 1.06 -0.69 4.60 2.07 -0.83 -1.24 116.25 121.81 3m46 h VAL 252 Ca 0.16 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3m46 h VAL 252 Cb -0.01 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3m46 h VAL 252 CO -0.03 0.19 0.45 0.50 0.02 0.00 0.00 177.57 178.70 3m46 h LYS 253 N -0.56 0.92 -0.55 1.57 3.64 -0.90 -3.06 116.57 117.64 3m46 h LYS 253 Ca -0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3m46 h LYS 253 Cb 0.44 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3m46 h LYS 253 CO 0.03 0.62 0.00 0.09 -2.27 0.00 0.00 179.45 177.91 3m46 n ASN 254 N -4.59 3.30 -3.13 4.20 3.02 -0.02 -4.97 115.26 113.07 3m46 n ASN 254 Ca 0.06 -1.98 -0.16 0.00 -0.03 0.00 0.00 54.58 52.48 3m46 n ASN 254 Cb 0.02 -0.37 0.08 0.00 -0.61 0.00 0.00 39.78 38.90 3m46 n ASN 254 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3m46 n ASN 255 N 1.32 -2.47 -0.01 6.41 3.02 -1.16 -4.97 115.26 117.40 3m46 n ASN 255 Ca 0.21 -0.53 0.10 0.00 -0.03 0.00 0.00 54.58 54.33 3m46 n ASN 255 Cb 0.54 -4.54 -0.16 0.00 -0.61 0.00 0.00 39.78 35.01 3m46 n ASN 255 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3m46 n TYR 256 N -3.85 0.00 -2.51 3.10 4.01 -0.48 -4.95 117.16 112.49 3m46 n TYR 256 Ca -0.22 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.25 3m46 n TYR 256 Cb 0.64 -0.48 0.02 0.00 -0.31 0.00 0.00 39.34 39.20 3m46 n TYR 256 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3m46 s PHE 257 N -3.44 3.40 0.60 -0.72 0.08 -1.25 -0.25 117.98 116.39 3m46 s PHE 257 Ca -0.08 0.72 -0.19 0.00 0.12 0.00 0.00 56.93 57.50 3m46 s PHE 257 Cb 0.13 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 3m46 s PHE 257 CO 0.87 -0.56 1.27 0.00 -0.10 0.00 0.00 175.22 176.70 3m46 s LYS 259 N -3.25 1.65 0.89 0.00 1.02 -1.17 -2.22 119.74 116.66 3m46 s LYS 259 Ca 0.78 -1.31 -0.11 0.00 0.02 0.00 0.00 55.97 55.35 3m46 s LYS 259 Cb -0.35 -2.00 0.12 0.00 -0.52 0.00 0.00 37.83 35.08 3m46 s LYS 259 CO 0.38 0.45 1.09 1.03 -0.92 0.00 0.00 175.35 177.38 3m46 s ARG 260 N -2.31 1.34 0.29 1.68 0.52 0.77 -0.91 118.95 120.33 3m46 s ARG 260 Ca 0.18 0.91 0.03 0.00 -0.52 0.00 0.00 55.73 56.33 3m46 s ARG 260 Cb -0.10 -1.81 0.61 0.00 0.52 0.00 0.00 34.95 34.17 3m46 s ARG 260 CO 0.09 -2.21 1.83 1.49 0.02 0.00 0.00 175.30 176.52 3m46 h GLU 261 N -1.53 0.90 0.00 3.54 4.81 -1.89 -1.68 114.58 118.74 3m46 h GLU 261 Ca -0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3m46 h GLU 261 Cb 1.28 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3m46 h GLU 261 CO 0.53 0.60 0.00 -0.40 -0.73 0.00 0.00 179.01 179.01 3m46 n ASP 262 N -4.64 0.37 0.00 1.04 5.75 -1.26 -4.87 116.55 112.94 3m46 n ASP 262 Ca 0.20 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.55 3m46 n ASP 262 Cb 0.41 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 3m46 n ASP 262 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m46 n GLY 263 N 0.37 1.32 3.87 6.12 0.00 -0.63 -5.11 105.19 111.13 3m46 n GLY 263 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3m46 n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m46 s SER 264 N -1.91 6.11 -0.18 1.61 1.04 -1.26 -4.72 113.70 114.39 3m46 s SER 264 Ca 0.00 1.34 -0.29 0.00 0.48 0.00 0.00 55.95 57.48 3m46 s SER 264 Cb 0.00 -2.36 -0.00 0.00 0.10 0.00 0.00 66.02 63.75 3m46 s SER 264 CO 0.00 -0.93 1.08 -1.81 0.98 0.00 0.00 173.24 172.56 3m46 s ASP 265 N -4.20 7.11 0.35 7.02 1.01 -1.26 -0.16 116.67 126.53 3m46 s ASP 265 Ca 0.55 1.50 -0.28 0.00 0.71 0.00 0.00 52.55 55.02 3m46 s ASP 265 Cb -0.11 -2.54 -0.11 0.00 1.01 0.00 0.00 42.92 41.17 3m46 s ASP 265 CO 0.53 -0.62 1.44 0.12 0.21 0.00 0.00 175.17 176.85 3m46 s PHE 266 N 2.89 2.75 -0.10 4.23 5.36 -0.94 -4.83 117.98 127.33 3m46 s PHE 266 Ca 0.48 1.21 0.02 0.00 -0.96 0.00 0.00 56.93 57.67 3m46 s PHE 266 Cb -0.18 -3.92 -0.02 0.00 -0.34 0.00 0.00 43.02 38.57 3m46 s PHE 266 CO 0.11 -2.70 -0.15 0.08 -1.46 0.00 0.00 175.22 171.10 3m46 s VAL 267 N -1.00 2.92 -0.09 3.12 1.01 -1.26 -4.21 120.40 120.88 3m46 s VAL 267 Ca 0.53 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 3m46 s VAL 267 Cb -0.44 -2.18 0.05 0.00 0.00 0.00 0.00 36.38 33.80 3m46 s VAL 267 CO 0.58 0.55 0.21 0.00 0.00 0.00 0.00 175.10 176.45 3m46 s ALA 268 N -0.04 -0.44 -0.10 5.51 0.00 -0.83 -3.91 121.76 121.95 3m46 s ALA 268 Ca -0.04 0.86 -0.25 0.00 0.00 0.00 0.00 51.96 52.53 3m46 s ALA 268 Cb -0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 3m46 s ALA 268 CO 0.04 -0.27 0.81 0.00 0.00 0.00 0.00 175.76 176.33 3m46 s ALA 269 N 1.47 3.38 0.00 0.00 0.00 -0.09 -0.94 121.76 125.58 3m46 s ALA 269 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3m46 s ALA 269 Cb -0.11 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3m46 s ALA 269 CO -0.08 -0.36 0.00 0.28 0.00 0.00 0.00 175.76 175.61 3m46 n VAL 270 N 4.20 0.00 -0.30 0.00 0.31 -0.10 -1.90 118.33 120.55 3m46 n VAL 270 Ca 0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.31 3m46 n VAL 270 Cb 0.50 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.50 3m46 n VAL 270 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3m46 h TRP 271 N 0.00 1.12 0.00 3.52 4.06 -1.97 -2.53 115.95 120.15 3m46 h TRP 271 Ca 0.00 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.92 3m46 h TRP 271 Cb 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 27.81 3m46 h TRP 271 CO 0.00 0.79 0.00 -2.30 -3.56 0.00 0.00 178.44 173.37 3m46 n PRO 272 N -4.39 0.41 0.00 0.49 -0.02 -1.26 -4.98 135.00 125.24 3m46 n PRO 272 Ca 0.08 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3m46 n PRO 272 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 3m46 n PRO 272 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m46 n GLY 273 N 0.26 0.94 3.67 -1.23 0.00 -0.95 -4.89 105.19 102.98 3m46 n GLY 273 Ca 0.11 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 3m46 n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m46 s ASP 274 N -4.00 7.09 0.47 1.61 1.01 -1.26 -0.92 116.67 120.67 3m46 s ASP 274 Ca 0.00 1.35 0.03 0.00 0.71 0.00 0.00 52.55 54.65 3m46 s ASP 274 Cb 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 3m46 s ASP 274 CO 0.00 -0.57 0.01 0.42 0.21 0.00 0.00 175.17 175.24 3m46 s THR 275 N 2.77 1.47 0.09 -1.27 -4.23 -0.12 0.24 115.64 114.58 3m46 s THR 275 Ca 0.43 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.03 3m46 s THR 275 Cb -0.16 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 3m46 s THR 275 CO 0.10 0.00 -0.21 -1.00 -0.54 0.00 0.00 174.62 172.96 3m46 s HIS 276 N -2.82 1.85 -0.19 3.99 3.76 -0.50 -1.97 115.29 119.40 3m46 s HIS 276 Ca 0.17 -0.40 -0.16 0.00 -0.15 0.00 0.00 55.06 54.51 3m46 s HIS 276 Cb 0.05 -1.03 -0.04 0.00 1.11 0.00 0.00 32.58 32.66 3m46 s HIS 276 CO 0.09 0.19 0.42 -0.06 -0.85 0.00 0.00 174.74 174.53 3m46 s PHE 277 N -1.06 3.40 0.41 1.40 0.08 -1.26 -1.72 117.98 119.23 3m46 s PHE 277 Ca 0.07 0.67 -0.27 0.00 0.12 0.00 0.00 56.93 57.53 3m46 s PHE 277 Cb -0.10 -2.54 -0.10 0.00 -0.57 0.00 0.00 43.02 39.71 3m46 s PHE 277 CO 0.04 0.01 1.42 -0.35 -0.10 0.00 0.00 175.22 176.24 3m46 n PRO 278 N 4.37 2.37 -2.58 0.24 -0.04 -1.26 0.81 135.00 138.91 3m46 n PRO 278 Ca -0.08 0.84 -0.41 0.00 -0.04 0.00 0.00 63.50 63.81 3m46 n PRO 278 Cb 0.51 -2.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 3m46 n PRO 278 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3m46 s ASP 279 N -0.34 6.39 0.23 3.54 -1.08 0.65 -4.55 116.67 121.51 3m46 s ASP 279 Ca 0.58 -1.14 0.21 0.00 -0.52 0.00 0.00 52.55 51.68 3m46 s ASP 279 Cb -0.47 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.37 3m46 s ASP 279 CO 0.60 -1.59 1.64 0.23 0.52 0.00 0.00 175.17 176.57 3m46 n MET 280 N 8.91 0.15 0.01 4.34 2.81 -1.26 -2.66 117.12 129.42 3m46 n MET 280 Ca 0.22 0.45 0.11 0.00 -1.81 0.00 0.00 57.70 56.67 3m46 n MET 280 Cb 0.50 -1.83 -0.05 0.00 -0.71 0.00 0.00 33.22 31.12 3m46 n MET 280 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3m46 n LEU 281 N -2.13 0.57 -4.61 4.03 4.77 -1.26 -4.76 117.00 113.61 3m46 n LEU 281 Ca 0.01 -0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 3m46 n LEU 281 Cb 0.17 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3m46 n LEU 281 CO 0.16 0.08 0.88 0.21 -1.33 0.00 0.00 177.39 177.39 3m46 s ASN 282 N -3.85 6.71 0.54 -1.43 3.84 -1.09 -4.65 114.94 115.01 3m46 s ASN 282 Ca 0.02 0.62 0.28 0.00 0.21 0.00 0.00 52.86 53.99 3m46 s ASN 282 Cb 0.15 -2.51 1.53 0.00 -0.55 0.00 0.00 41.25 39.87 3m46 s ASN 282 CO 0.84 -0.99 2.12 -0.65 -2.79 0.00 0.00 177.10 175.63 3m46 h PRO 283 N 8.64 0.00 -0.11 0.43 0.11 -1.86 0.27 132.00 139.48 3m46 h PRO 283 Ca -0.23 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.65 3m46 h PRO 283 Cb 1.07 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.19 3m46 h PRO 283 CO 1.04 0.09 -0.85 1.49 -0.21 0.00 0.00 178.00 179.56 3m46 h GLU 284 N 0.00 0.77 -0.12 1.05 4.81 -1.93 -2.84 114.58 116.33 3m46 h GLU 284 Ca -0.00 -0.68 -0.16 0.00 -0.13 0.00 0.00 59.36 58.39 3m46 h GLU 284 Cb 0.25 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3m46 h GLU 284 CO 0.01 1.28 -0.60 0.00 -0.73 0.00 0.00 179.01 178.96 3m46 h ALA 285 N 0.52 0.74 -0.67 2.92 0.00 -1.46 -2.63 119.26 118.69 3m46 h ALA 285 Ca -0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 3m46 h ALA 285 Cb 1.49 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 3m46 h ALA 285 CO 0.17 0.72 0.31 -0.09 0.00 0.00 0.00 179.25 180.36 3m46 h ARG 286 N 0.29 0.97 0.03 0.00 2.43 -1.04 -1.83 114.38 115.23 3m46 h ARG 286 Ca -0.01 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3m46 h ARG 286 Cb 1.13 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3m46 h ARG 286 CO 0.10 0.78 -0.02 -0.22 -1.51 0.00 0.00 179.97 179.11 3m46 h LYS 287 N 0.93 -0.04 -0.62 0.20 3.64 -1.39 -0.53 116.57 118.76 3m46 h LYS 287 Ca 0.23 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.74 3m46 h LYS 287 Cb 0.14 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.86 3m46 h LYS 287 CO -0.03 0.26 -0.02 2.35 -2.27 0.00 0.00 179.45 179.74 3m46 h TRP 288 N -0.34 -0.08 0.07 1.91 7.01 -1.47 0.24 115.95 123.29 3m46 h TRP 288 Ca -0.00 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 3m46 h TRP 288 Cb 0.32 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.51 3m46 h TRP 288 CO 0.03 -0.18 -0.03 0.35 -2.79 0.00 0.00 178.44 175.81 3m46 h PHE 289 N 0.10 -0.09 -0.80 2.65 3.57 -1.27 -2.87 116.94 118.24 3m46 h PHE 289 Ca 0.32 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.98 3m46 h PHE 289 Cb 0.53 0.03 -0.15 0.00 2.79 0.00 0.00 35.95 39.15 3m46 h PHE 289 CO -0.39 0.43 -0.24 0.78 -2.23 0.00 0.00 178.31 176.67 3m46 h GLY 290 N -0.68 0.43 0.44 2.40 0.00 -1.04 -2.34 103.07 102.28 3m46 h GLY 290 Ca -0.01 0.32 0.09 0.00 0.00 0.00 0.00 47.33 47.72 3m46 h GLY 290 CO 0.02 -0.28 0.23 -0.55 0.00 0.00 0.00 176.54 175.95 3m46 h ASP 291 N -0.03 0.24 -1.31 0.19 3.32 -0.89 -1.87 116.42 116.08 3m46 h ASP 291 Ca 0.36 0.07 0.46 0.00 0.02 0.00 0.00 57.03 57.95 3m46 h ASP 291 Cb 0.59 0.04 -0.15 0.00 0.22 0.00 0.00 39.33 40.04 3m46 h ASP 291 CO -0.83 0.15 0.82 0.11 -1.72 0.00 0.00 179.24 177.77 3m46 h LYS 292 N 0.42 0.01 -0.23 3.56 1.79 -1.19 0.16 116.57 121.10 3m46 h LYS 292 Ca 0.29 -0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.83 3m46 h LYS 292 Cb 0.34 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 3m46 h LYS 292 CO -0.28 0.01 0.35 1.88 -1.08 0.00 0.00 179.45 180.33 3m46 h TYR 293 N 0.01 0.00 -0.97 -1.35 -1.99 -1.43 0.11 116.97 111.35 3m46 h TYR 293 Ca 0.87 0.00 0.14 0.00 2.00 0.00 0.00 58.73 61.74 3m46 h TYR 293 Cb 2.71 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 41.35 3m46 h TYR 293 CO -0.01 0.00 0.59 -0.09 -0.00 0.00 0.00 178.16 178.66 3m46 h ARG 294 N 0.00 0.86 -0.80 4.88 2.43 -0.86 -0.72 114.38 120.17 3m46 h ARG 294 Ca 0.11 -0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.42 3m46 h ARG 294 Cb 0.81 -0.19 -0.14 0.00 -0.42 0.00 0.00 29.97 30.03 3m46 h ARG 294 CO -0.00 0.57 0.04 0.35 -1.51 0.00 0.00 179.97 179.42 3m46 h PHE 295 N 0.88 0.00 0.15 2.20 3.57 -0.95 0.74 116.94 123.54 3m46 h PHE 295 Ca 0.51 0.06 -0.34 0.00 3.53 0.00 0.00 57.97 61.73 3m46 h PHE 295 Cb 0.60 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.46 3m46 h PHE 295 CO -0.02 -0.25 -1.70 -0.07 -2.23 0.00 0.00 178.31 174.04 3m46 h LEU 296 N 0.11 0.51 -1.06 0.59 3.38 -1.59 -3.29 115.31 113.96 3m46 h LEU 296 Ca 0.45 -0.78 0.09 0.00 0.09 0.00 0.00 57.88 57.73 3m46 h LEU 296 Cb 0.83 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 3m46 h LEU 296 CO -0.69 1.66 0.63 0.40 0.09 0.00 0.00 178.44 180.52 3m46 h ILE 297 N 0.09 1.01 0.00 1.22 2.04 -0.48 0.08 117.51 121.47 3m46 h ILE 297 Ca -0.32 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3m46 h ILE 297 Cb 2.07 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3m46 h ILE 297 CO 0.16 0.19 0.00 0.44 0.00 0.00 0.00 178.15 178.95 3m46 h ASP 298 N 1.05 0.00 -0.68 1.72 3.32 0.39 -2.46 116.42 119.77 3m46 h ASP 298 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3m46 h ASP 298 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3m46 h ASP 298 CO -0.20 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.32 3m46 n GLN 299 N -2.50 2.89 0.00 3.56 6.02 -0.01 -4.92 117.38 122.41 3m46 n GLN 299 Ca -0.00 -2.57 0.00 0.00 -0.01 0.00 0.00 57.00 54.42 3m46 n GLN 299 Cb 0.13 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 29.76 3m46 n GLN 299 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m46 n GLY 300 N 1.47 0.63 3.73 1.08 0.00 -0.93 -4.35 105.19 106.82 3m46 n GLY 300 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3m46 n GLY 300 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m46 s ILE 301 N -2.00 4.24 -0.35 -0.61 -1.09 -1.03 -4.97 121.20 115.39 3m46 s ILE 301 Ca 0.00 1.79 0.03 0.00 -2.23 0.00 0.00 60.65 60.24 3m46 s ILE 301 Cb 0.00 -4.14 0.06 0.00 -1.58 0.00 0.00 42.46 36.79 3m46 s ILE 301 CO 0.00 0.24 0.82 -0.62 -1.23 0.00 0.00 174.94 174.15 3m46 n GLU 302 N 3.03 1.06 -3.59 2.79 1.02 -1.26 -4.29 120.64 119.40 3m46 n GLU 302 Ca 0.04 -1.14 -0.14 0.00 -0.02 0.00 0.00 57.16 55.90 3m46 n GLU 302 Cb 0.48 -1.07 -0.06 0.00 -0.02 0.00 0.00 31.44 30.76 3m46 n GLU 302 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3m46 s GLY 303 N -0.61 -0.45 0.13 0.62 0.00 -1.26 -2.10 107.32 103.64 3m46 s GLY 303 Ca 0.05 1.89 0.01 0.00 0.00 0.00 0.00 44.72 46.67 3m46 s GLY 303 CO 0.04 1.39 -0.02 -1.36 0.00 0.00 0.00 173.10 173.15 3m46 s PHE 304 N -0.40 0.96 -0.02 1.90 0.08 0.63 -3.57 117.98 117.57 3m46 s PHE 304 Ca -0.04 -1.02 -0.00 0.00 0.12 0.00 0.00 56.93 56.00 3m46 s PHE 304 Cb -0.03 -0.56 0.02 0.00 -0.57 0.00 0.00 43.02 41.88 3m46 s PHE 304 CO 0.03 -0.25 0.02 1.67 -0.10 0.00 0.00 175.22 176.59 3m46 s TRP 305 N -3.73 0.02 -0.05 0.36 1.48 -0.99 -3.14 118.94 112.89 3m46 s TRP 305 Ca 0.18 0.10 -0.01 0.00 -1.06 0.00 0.00 56.10 55.30 3m46 s TRP 305 Cb 0.06 -0.17 -0.04 0.00 -1.16 0.00 0.00 33.47 32.16 3m46 s TRP 305 CO -0.01 -0.07 0.04 -0.80 -4.06 0.00 0.00 176.95 172.05 3m46 s ASN 306 N 0.79 5.44 0.11 -2.66 0.02 -0.21 -0.85 114.94 117.57 3m46 s ASN 306 Ca -0.07 0.14 -0.13 0.00 -1.02 0.00 0.00 52.86 51.79 3m46 s ASN 306 Cb -0.09 -1.54 0.02 0.00 0.02 0.00 0.00 41.25 39.65 3m46 s ASN 306 CO -0.02 0.33 0.31 -0.62 0.02 0.00 0.00 177.10 177.12 3m46 s ASP 307 N -1.29 -0.09 -1.28 -1.22 -1.08 -0.92 -1.38 116.67 109.41 3m46 s ASP 307 Ca 0.18 -0.45 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 3m46 s ASP 307 Cb -0.12 0.42 0.00 0.00 -1.46 0.00 0.00 42.92 41.76 3m46 s ASP 307 CO 0.08 -0.80 0.00 0.23 0.52 0.00 0.00 175.17 175.20 3m46 n MET 308 N -0.14 -1.61 -0.62 4.34 2.81 -1.26 -2.80 117.12 117.83 3m46 n MET 308 Ca -0.16 0.87 -0.12 0.00 -1.81 0.00 0.00 57.70 56.48 3m46 n MET 308 Cb 0.63 -5.18 0.06 0.00 -0.71 0.00 0.00 33.22 28.02 3m46 n MET 308 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3m46 n ASN 309 N -0.90 4.21 0.01 7.83 6.94 -1.26 -1.14 115.26 130.95 3m46 n ASN 309 Ca -0.12 -2.77 -0.10 0.00 -0.02 0.00 0.00 54.58 51.57 3m46 n ASN 309 Cb 0.55 -0.77 0.05 0.00 -2.36 0.00 0.00 39.78 37.25 3m46 n ASN 309 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3m46 h GLU 310 N 0.72 0.53 -6.51 -3.83 3.07 -1.91 -2.85 114.58 103.79 3m46 h GLU 310 Ca 0.27 -0.35 -0.53 0.00 -0.50 0.00 0.00 59.36 58.25 3m46 h GLU 310 Cb 1.54 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.47 3m46 h GLU 310 CO 0.53 0.96 -0.01 -1.25 -1.40 0.00 0.00 179.01 177.85 3m46 s PRO 311 N -3.91 3.98 0.44 2.33 0.04 -1.26 -4.60 135.00 132.02 3m46 s PRO 311 Ca -0.07 0.55 -0.22 0.00 0.04 0.00 0.00 61.00 61.30 3m46 s PRO 311 Cb 0.11 -2.70 -0.09 0.00 0.04 0.00 0.00 34.50 31.86 3m46 s PRO 311 CO 0.84 0.33 1.02 0.00 0.04 0.00 0.00 177.00 179.22 3m46 s ALA 312 N -1.72 2.99 -0.13 8.56 0.00 -0.29 -4.95 121.76 126.21 3m46 s ALA 312 Ca 0.46 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 3m46 s ALA 312 Cb -0.13 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.82 3m46 s ALA 312 CO 0.20 -0.16 0.18 0.42 0.00 0.00 0.00 175.76 176.40 3m46 s ILE 313 N -1.91 -0.28 0.19 0.00 1.01 -1.26 -4.93 121.20 114.01 3m46 s ILE 313 Ca 0.63 0.17 -0.09 0.00 0.00 0.00 0.00 60.65 61.36 3m46 s ILE 313 Cb -0.16 -0.44 0.09 0.00 0.01 0.00 0.00 42.46 41.95 3m46 s ILE 313 CO 0.21 0.01 1.68 -0.26 0.00 0.00 0.00 174.94 176.58 3m46 h PHE 314 N 8.35 1.16 -1.30 3.97 0.04 -1.68 -0.08 116.94 127.39 3m46 h PHE 314 Ca -0.14 -0.16 0.23 0.00 2.80 0.00 0.00 57.97 60.69 3m46 h PHE 314 Cb 1.13 -0.32 -0.23 0.00 2.20 0.00 0.00 35.95 38.73 3m46 h PHE 314 CO 0.32 0.97 0.84 1.52 -0.60 0.00 0.00 178.31 181.35 3m46 s TYR 315 N -5.21 -0.12 0.51 -0.55 -0.85 -1.25 -3.68 117.35 106.20 3m46 s TYR 315 Ca -0.12 0.16 0.09 0.00 -0.52 0.00 0.00 57.07 56.68 3m46 s TYR 315 Cb 0.14 0.50 0.05 0.00 0.38 0.00 0.00 41.96 43.03 3m46 s TYR 315 CO 0.85 -0.15 0.69 -1.54 -1.52 0.00 0.00 175.55 173.88 3m46 s SER 316 N -1.54 5.30 0.16 -0.18 1.04 -1.26 -0.91 113.70 116.31 3m46 s SER 316 Ca 0.08 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 55.70 3m46 s SER 316 Cb -0.01 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.06 3m46 s SER 316 CO -0.05 -1.10 1.61 0.28 0.98 0.00 0.00 173.24 174.96 3m46 h SER 317 N 0.39 0.95 0.09 7.02 0.02 -1.99 0.12 113.55 120.15 3m46 h SER 317 Ca -0.34 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.29 3m46 h SER 317 Cb 1.29 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3m46 h SER 317 CO 0.43 1.04 -0.04 -0.33 -1.14 0.00 0.00 176.83 176.79 3m46 h GLU 318 N 0.84 -0.12 -0.65 3.45 3.07 -1.96 -2.43 114.58 116.79 3m46 h GLU 318 Ca 0.15 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.93 3m46 h GLU 318 Cb 0.57 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 3m46 h GLU 318 CO 0.03 0.06 0.06 0.78 -1.40 0.00 0.00 179.01 178.55 3m46 h GLY 319 N -0.27 1.19 0.90 -3.84 0.00 -1.94 0.12 103.07 99.23 3m46 h GLY 319 Ca -0.01 -0.82 0.03 0.00 0.00 0.00 0.00 47.33 46.53 3m46 h GLY 319 CO 0.02 0.76 0.62 -2.00 0.00 0.00 0.00 176.54 175.94 3m46 h LEU 320 N 1.02 1.04 -0.18 3.11 5.85 -0.76 -1.20 115.31 124.19 3m46 h LEU 320 Ca 0.19 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 3m46 h LEU 320 Cb 0.49 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3m46 h LEU 320 CO 0.02 0.72 -0.54 0.00 -0.34 0.00 0.00 178.44 178.30 3m46 h ALA 321 N 1.38 0.31 -0.92 1.25 0.00 -0.98 -2.19 119.26 118.11 3m46 h ALA 321 Ca 0.37 -0.51 0.08 0.00 0.00 0.00 0.00 54.91 54.85 3m46 h ALA 321 Cb -0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3m46 h ALA 321 CO -0.11 0.51 0.57 0.93 0.00 0.00 0.00 179.25 181.15 3m46 h GLU 322 N 0.37 0.97 0.00 0.00 5.08 -0.41 -2.41 114.58 118.19 3m46 h GLU 322 Ca -0.02 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3m46 h GLU 322 Cb 1.16 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3m46 h GLU 322 CO 0.12 0.64 -0.66 0.00 -1.00 0.00 0.00 179.01 178.11 3m46 h ALA 323 N 1.45 0.68 -0.43 3.43 0.00 -1.12 -2.90 119.26 120.37 3m46 h ALA 323 Ca 0.42 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3m46 h ALA 323 Cb 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3m46 h ALA 323 CO -0.20 0.63 -0.12 0.87 0.00 0.00 0.00 179.25 180.42 3m46 h LYS 324 N 0.00 0.78 -0.38 0.00 1.57 -0.93 -1.68 116.57 115.93 3m46 h LYS 324 Ca -0.03 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.40 3m46 h LYS 324 Cb 1.39 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 3m46 h LYS 324 CO 0.06 0.86 -0.10 1.49 -0.57 0.00 0.00 179.45 181.19 3m46 h GLU 325 N 0.70 0.74 0.38 3.15 4.81 -1.26 -0.09 114.58 123.01 3m46 h GLU 325 Ca 0.12 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3m46 h GLU 325 Cb 0.60 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 3m46 h GLU 325 CO 0.04 0.89 -0.41 0.35 -0.73 0.00 0.00 179.01 179.14 3m46 h PHE 326 N 0.54 -1.13 -0.66 0.92 3.57 -1.51 -1.75 116.94 116.91 3m46 h PHE 326 Ca 0.09 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.74 3m46 h PHE 326 Cb 0.62 0.45 -0.12 0.00 2.79 0.00 0.00 35.95 39.68 3m46 h PHE 326 CO 0.05 -0.56 -0.11 0.00 -2.23 0.00 0.00 178.31 175.46 3m46 h ALA 327 N -0.47 0.52 -0.69 2.41 0.00 -1.08 0.49 119.26 120.44 3m46 h ALA 327 Ca -0.03 0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3m46 h ALA 327 Cb 0.74 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3m46 h ALA 327 CO -0.08 -0.42 0.45 0.78 0.00 0.00 0.00 179.25 179.98 3m46 h GLY 328 N 0.04 0.92 0.78 0.00 0.00 -0.81 0.65 103.07 104.65 3m46 h GLY 328 Ca 0.33 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 3m46 h GLY 328 CO -0.64 0.26 -0.29 0.83 0.00 0.00 0.00 176.54 176.69 3m46 h GLU 329 N 0.78 0.43 -0.78 4.80 5.08 0.10 -2.76 114.58 122.24 3m46 h GLU 329 Ca 0.28 -0.29 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3m46 h GLU 329 Cb 0.14 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 3m46 h GLU 329 CO -0.08 0.89 0.45 0.35 -1.00 0.00 0.00 179.01 179.61 3m46 h PHE 330 N 0.04 0.81 0.00 4.33 3.57 0.46 -0.96 116.94 125.19 3m46 h PHE 330 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3m46 h PHE 330 Cb 0.88 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3m46 h PHE 330 CO 0.10 0.35 -0.20 0.00 -2.23 0.00 0.00 178.31 176.33 3m46 h ALA 331 N 1.43 1.52 -0.13 2.41 0.00 0.41 -2.88 119.26 122.02 3m46 h ALA 331 Ca 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3m46 h ALA 331 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3m46 h ALA 331 CO -0.23 0.25 0.00 0.36 0.00 0.00 0.00 179.25 179.64 3m46 n LYS 332 N -4.09 2.77 -2.22 0.00 2.85 -1.05 -4.97 118.16 111.45 3m46 n LYS 332 Ca -0.02 -1.89 -0.38 0.00 -1.05 0.00 0.00 58.31 54.97 3m46 n LYS 332 Cb 0.28 -1.20 -0.01 0.00 -0.65 0.00 0.00 35.03 33.44 3m46 n LYS 332 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3m46 s ASP 333 N -1.27 6.34 0.00 -5.58 2.15 -0.39 -4.91 116.67 113.02 3m46 s ASP 333 Ca 0.14 2.40 0.00 0.00 0.43 0.00 0.00 52.55 55.52 3m46 s ASP 333 Cb 0.09 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 3m46 s ASP 333 CO 0.06 -0.81 0.00 0.35 -0.17 0.00 0.00 175.17 174.60 3m46 n THR 334 N -0.12 0.00 0.74 1.71 -2.24 -1.26 -4.85 114.28 108.27 3m46 n THR 334 Ca 0.05 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.91 3m46 n THR 334 Cb 0.46 1.01 0.21 0.00 -2.10 0.00 0.00 70.33 69.91 3m46 n THR 334 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3m46 n GLU 335 N 0.00 1.94 -3.95 -0.78 1.02 -1.26 -4.93 120.64 112.68 3m46 n GLU 335 Ca 0.00 -1.46 -0.30 0.00 -0.02 0.00 0.00 57.16 55.38 3m46 n GLU 335 Cb 0.06 -1.34 0.02 0.00 -0.02 0.00 0.00 31.44 30.16 3m46 n GLU 335 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m46 n GLY 336 N 1.17 -0.46 0.11 0.62 0.00 -1.26 -4.89 105.19 100.47 3m46 n GLY 336 Ca 0.14 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 3m46 n GLY 336 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3m46 n LYS 337 N -4.60 0.69 -3.64 1.61 4.81 -1.26 -4.74 118.16 111.02 3m46 n LYS 337 Ca 0.01 0.26 -0.39 0.00 -0.87 0.00 0.00 58.31 57.32 3m46 n LYS 337 Cb 0.54 -1.73 -0.11 0.00 0.02 0.00 0.00 35.03 33.74 3m46 n LYS 337 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3m46 s ILE 338 N -2.57 4.75 0.31 3.15 1.01 -1.26 -5.09 121.20 121.49 3m46 s ILE 338 Ca -0.14 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 3m46 s ILE 338 Cb 0.07 -3.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 3m46 s ILE 338 CO 0.79 0.09 0.65 -1.00 0.00 0.00 0.00 174.94 175.47 3m46 s HIS 339 N 1.64 3.43 0.33 3.97 3.76 -1.26 -4.97 115.29 122.19 3m46 s HIS 339 Ca 0.05 0.97 0.06 0.00 -0.15 0.00 0.00 55.06 55.99 3m46 s HIS 339 Cb -0.17 -2.35 0.71 0.00 1.11 0.00 0.00 32.58 31.89 3m46 s HIS 339 CO 0.07 0.12 1.87 -1.35 -0.85 0.00 0.00 174.74 174.60 3m46 h PRO 340 N 2.01 0.79 0.00 8.40 0.11 -1.99 -1.75 132.00 139.57 3m46 h PRO 340 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m46 h PRO 340 Cb 1.18 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3m46 h PRO 340 CO 0.66 0.52 0.00 0.11 -0.21 0.00 0.00 178.00 179.08 3m46 h TRP 341 N 0.81 0.00 -0.08 0.65 0.09 -1.98 0.46 115.95 115.89 3m46 h TRP 341 Ca 0.44 0.00 -0.18 0.00 0.09 0.00 0.00 58.89 59.24 3m46 h TRP 341 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 29.16 29.82 3m46 h TRP 341 CO -0.00 0.00 -0.67 0.00 0.09 0.00 0.00 178.44 177.86 3m46 h ALA 342 N 2.23 0.20 -0.47 0.11 0.00 -1.74 -0.61 119.26 118.98 3m46 h ALA 342 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 3m46 h ALA 342 Cb 0.79 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3m46 h ALA 342 CO 0.00 0.50 0.12 1.98 0.00 0.00 0.00 179.25 181.84 3m46 h MET 343 N 0.23 0.75 -0.09 0.00 1.85 -1.17 0.98 114.93 117.47 3m46 h MET 343 Ca -0.06 -0.18 0.04 0.00 -0.61 0.00 0.00 59.70 58.89 3m46 h MET 343 Cb 1.32 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 33.21 3m46 h MET 343 CO 0.14 0.74 -0.17 1.96 -0.40 0.00 0.00 176.91 179.17 3m46 h GLN 344 N 0.63 -0.23 -0.42 0.39 4.20 -0.95 -2.82 115.11 115.91 3m46 h GLN 344 Ca 0.15 0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 3m46 h GLN 344 Cb 0.32 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3m46 h GLN 344 CO 0.00 -0.15 0.05 0.00 -0.67 0.00 0.00 178.83 178.06 3m46 h ALA 345 N 0.76 1.30 -0.38 3.87 0.00 -0.71 -0.08 119.26 124.02 3m46 h ALA 345 Ca 0.08 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3m46 h ALA 345 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3m46 h ALA 345 CO -0.23 0.48 -0.05 -0.22 0.00 0.00 0.00 179.25 179.23 3m46 h LYS 346 N 0.62 0.63 -0.59 0.00 1.63 -0.76 -1.60 116.57 116.52 3m46 h LYS 346 Ca 0.14 -0.17 -0.10 0.00 -0.85 0.00 0.00 60.65 59.67 3m46 h LYS 346 Cb 0.32 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3m46 h LYS 346 CO 0.01 0.69 -0.02 0.52 -3.45 0.00 0.00 179.45 177.19 3m46 h MET 347 N 0.59 1.05 -0.49 1.90 2.86 -0.77 -2.87 114.93 117.21 3m46 h MET 347 Ca 0.12 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 57.32 3m46 h MET 347 Cb 0.45 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3m46 h MET 347 CO 0.02 1.04 -0.03 0.87 1.06 0.00 0.00 176.91 179.88 3m46 h LYS 348 N 0.94 0.88 0.00 1.72 1.57 -1.31 -3.25 116.57 117.13 3m46 h LYS 348 Ca 0.16 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3m46 h LYS 348 Cb 0.59 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3m46 h LYS 348 CO 0.03 0.93 0.00 0.22 -0.57 0.00 0.00 179.45 180.07 3m46 h ASP 349 N 0.74 0.00 0.32 0.86 -0.00 -1.06 -1.18 116.42 116.10 3m46 h ASP 349 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.16 3m46 h ASP 349 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.89 3m46 h ASP 349 CO 0.03 0.00 -0.20 2.30 -0.00 0.00 0.00 179.24 181.37 3m46 n ILE 350 N -2.66 0.00 -3.42 2.25 -5.35 -1.17 -4.21 119.36 104.80 3m46 n ILE 350 Ca -0.02 -0.09 -0.39 0.00 -0.27 0.00 0.00 62.75 61.98 3m46 n ILE 350 Cb 0.07 0.16 -0.09 0.00 -1.74 0.00 0.00 39.64 38.04 3m46 n ILE 350 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3m46 s VAL 351 N -2.52 5.20 -1.35 7.28 1.01 -0.45 -3.81 120.40 125.76 3m46 s VAL 351 Ca 0.26 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 3m46 s VAL 351 Cb 0.19 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.91 3m46 s VAL 351 CO 0.51 0.18 0.77 0.59 0.00 0.00 0.00 175.10 177.15 3m46 n ASN 352 N 5.19 -2.01 -4.66 3.32 3.02 -0.04 -4.90 115.26 115.18 3m46 n ASN 352 Ca -0.09 -0.80 -0.43 0.00 -0.03 0.00 0.00 54.58 53.23 3m46 n ASN 352 Cb 0.51 -4.08 -0.02 0.00 -0.61 0.00 0.00 39.78 35.58 3m46 n ASN 352 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3m46 s SER 353 N -4.14 7.10 0.41 6.41 0.15 -1.26 -4.92 113.70 117.45 3m46 s SER 353 Ca 0.14 1.42 0.28 0.00 0.70 0.00 0.00 55.95 58.50 3m46 s SER 353 Cb -0.07 -2.54 1.42 0.00 -1.71 0.00 0.00 66.02 63.12 3m46 s SER 353 CO 0.81 -0.66 1.54 -2.65 1.20 0.00 0.00 173.24 173.48 3m46 n PRO 354 N 6.24 -0.04 0.20 5.44 -0.02 -1.26 0.19 135.00 145.75 3m46 n PRO 354 Ca 0.12 1.28 0.07 0.00 -2.02 0.00 0.00 63.50 62.94 3m46 n PRO 354 Cb 0.46 -2.44 0.40 0.00 -0.02 0.00 0.00 33.50 31.90 3m46 n PRO 354 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3m46 h GLU 355 N 0.00 0.00 0.05 -0.52 3.07 -1.93 -2.73 114.58 112.53 3m46 h GLU 355 Ca 0.86 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 59.48 3m46 h GLU 355 Cb 2.60 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.51 3m46 h GLU 355 CO -0.56 0.32 -1.05 -0.44 -1.40 0.00 0.00 179.01 175.88 3m46 h ASP 356 N 0.00 0.38 0.14 1.42 3.32 -0.65 -2.82 116.42 118.21 3m46 h ASP 356 Ca -0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3m46 h ASP 356 Cb 0.79 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3m46 h ASP 356 CO 0.04 1.21 0.00 -1.22 -1.72 0.00 0.00 179.24 177.55 3m46 n TYR 357 N -3.61 0.00 0.30 4.55 4.01 -0.97 -1.66 117.16 119.79 3m46 n TYR 357 Ca -0.06 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.76 3m46 n TYR 357 Cb 0.91 -0.23 0.12 0.00 -0.31 0.00 0.00 39.34 39.83 3m46 n TYR 357 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3m46 n LYS 358 N -1.23 1.79 0.00 -0.72 5.02 -1.07 -1.12 118.16 120.84 3m46 n LYS 358 Ca 0.05 -1.75 0.11 0.00 -2.02 0.00 0.00 58.31 54.71 3m46 n LYS 358 Cb 0.07 -1.33 0.09 0.00 -0.02 0.00 0.00 35.03 33.84 3m46 n LYS 358 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3m46 n ARG 359 N 0.89 0.55 -4.30 1.97 1.74 -0.66 -4.91 116.66 111.94 3m46 n ARG 359 Ca 0.12 -0.41 -0.16 0.00 -0.77 0.00 0.00 57.85 56.63 3m46 n ARG 359 Cb 0.43 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.28 3m46 n ARG 359 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3m46 s PHE 360 N -2.73 1.47 0.00 -1.55 -0.12 -1.26 -3.74 117.98 110.06 3m46 s PHE 360 Ca 0.15 -1.26 -0.06 0.00 -0.05 0.00 0.00 56.93 55.71 3m46 s PHE 360 Cb 0.18 -0.82 -0.00 0.00 -0.63 0.00 0.00 43.02 41.75 3m46 s PHE 360 CO 0.67 -0.44 0.11 0.71 -0.05 0.00 0.00 175.22 176.22 3m46 s TYR 361 N -3.81 0.07 -0.00 3.49 2.02 -0.09 -1.12 117.35 117.91 3m46 s TYR 361 Ca 0.38 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.91 3m46 s TYR 361 Cb 0.07 -0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 3m46 s TYR 361 CO 0.14 -0.26 0.03 -1.01 -1.57 0.00 0.00 175.55 172.88 3m46 s HIS 362 N -1.33 3.14 -0.57 2.71 3.76 0.25 -3.04 115.29 120.21 3m46 s HIS 362 Ca -0.14 0.12 -0.09 0.00 -0.15 0.00 0.00 55.06 54.80 3m46 s HIS 362 Cb -0.08 -1.69 0.15 0.00 1.11 0.00 0.00 32.58 32.07 3m46 s HIS 362 CO 0.01 0.49 0.44 1.21 -0.85 0.00 0.00 174.74 176.05 3m46 s ASN 363 N -1.62 5.79 -0.72 1.40 2.47 -1.26 -0.26 114.94 120.74 3m46 s ASN 363 Ca 0.21 -2.28 -0.16 0.00 0.42 0.00 0.00 52.86 51.05 3m46 s ASN 363 Cb -0.12 -2.01 0.16 0.00 -1.45 0.00 0.00 41.25 37.84 3m46 s ASN 363 CO 0.11 -0.60 0.72 -0.69 -3.72 0.00 0.00 177.10 172.93 3m46 s VAL 364 N 0.81 5.26 -1.52 -5.21 1.01 0.42 -3.97 120.40 117.19 3m46 s VAL 364 Ca 0.11 -1.84 -0.05 0.00 0.00 0.00 0.00 61.98 60.20 3m46 s VAL 364 Cb -0.22 -4.47 0.01 0.00 0.00 0.00 0.00 36.38 31.71 3m46 s VAL 364 CO -0.03 -1.05 0.61 0.59 0.00 0.00 0.00 175.10 175.22 3m46 n ASN 365 N 5.04 -5.83 0.00 3.32 3.02 -1.26 -1.67 115.26 117.87 3m46 n ASN 365 Ca 0.03 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 3m46 n ASN 365 Cb 0.44 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.90 3m46 n ASN 365 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m46 n GLY 366 N -1.50 3.14 3.63 7.41 0.00 -1.26 -5.07 105.19 111.54 3m46 n GLY 366 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3m46 n GLY 366 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m46 s LYS 367 N -0.71 4.12 -0.38 1.61 -0.14 -0.67 -5.02 119.74 118.55 3m46 s LYS 367 Ca 0.00 0.51 -0.29 0.00 -1.36 0.00 0.00 55.97 54.83 3m46 s LYS 367 Cb 0.00 -3.64 0.02 0.00 -1.68 0.00 0.00 37.83 32.53 3m46 s LYS 367 CO 0.00 -0.37 1.20 0.15 -0.76 0.00 0.00 175.35 175.57 3m46 s LYS 368 N 2.35 3.85 0.02 1.68 1.02 -1.26 -0.44 119.74 126.96 3m46 s LYS 368 Ca 0.25 0.93 0.06 0.00 0.02 0.00 0.00 55.97 57.24 3m46 s LYS 368 Cb -0.16 -3.87 -0.03 0.00 -0.52 0.00 0.00 37.83 33.26 3m46 s LYS 368 CO 0.09 -1.20 -0.17 0.42 -0.92 0.00 0.00 175.35 173.57 3m46 s ILE 369 N 4.33 2.85 0.10 2.17 -1.09 0.64 -4.94 121.20 125.26 3m46 s ILE 369 Ca 0.51 -1.06 -0.24 0.00 -2.23 0.00 0.00 60.65 57.63 3m46 s ILE 369 Cb -0.12 -2.18 -0.07 0.00 -1.58 0.00 0.00 42.46 38.52 3m46 s ILE 369 CO 0.25 0.41 0.72 -0.60 -1.23 0.00 0.00 174.94 174.49 3m46 s ARG 370 N -1.24 4.46 0.23 2.79 3.52 -1.26 0.88 118.95 128.32 3m46 s ARG 370 Ca 0.14 1.02 -0.11 0.00 -0.13 0.00 0.00 55.73 56.65 3m46 s ARG 370 Cb -0.11 -3.30 0.31 0.00 -1.56 0.00 0.00 34.95 30.30 3m46 s ARG 370 CO 0.04 0.47 1.62 1.25 -0.81 0.00 0.00 175.30 177.88 3m46 h HIS 371 N 4.92 -0.26 -1.11 5.12 -0.00 -1.25 -0.78 115.15 121.79 3m46 h HIS 371 Ca -0.46 0.06 0.31 0.00 -0.00 0.00 0.00 60.37 60.27 3m46 h HIS 371 Cb 1.21 0.22 -0.07 0.00 -0.00 0.00 0.00 27.41 28.77 3m46 h HIS 371 CO 0.65 -0.27 0.76 0.38 -0.00 0.00 0.00 177.93 179.45 3m46 h ASP 372 N 0.03 0.21 0.71 3.26 2.03 -1.40 -0.05 116.42 121.20 3m46 h ASP 372 Ca 0.35 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 3m46 h ASP 372 Cb 0.56 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 3m46 h ASP 372 CO -0.68 0.03 0.00 0.11 -1.03 0.00 0.00 179.24 177.67 3m46 h LYS 373 N 0.18 0.00 0.00 4.15 6.56 -1.45 -3.22 116.57 122.79 3m46 h LYS 373 Ca 0.58 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 60.08 3m46 h LYS 373 Cb 1.91 0.00 -0.19 0.00 -0.57 0.00 0.00 32.23 33.37 3m46 h LYS 373 CO -0.15 0.00 -0.73 1.33 -2.06 0.00 0.00 179.45 177.84 3m46 n VAL 374 N -2.78 0.00 -0.17 0.50 0.24 -0.20 -4.18 118.33 111.74 3m46 n VAL 374 Ca 0.00 -0.48 0.02 0.00 -2.04 0.00 0.00 64.34 61.84 3m46 n VAL 374 Cb 0.23 0.72 0.30 0.00 -1.47 0.00 0.00 33.84 33.61 3m46 n VAL 374 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 3m46 h HIS 375 N 0.48 0.84 0.00 6.34 6.17 -1.03 -2.39 115.15 125.56 3m46 h HIS 375 Ca -0.14 0.02 0.00 0.00 0.71 0.00 0.00 60.37 60.96 3m46 h HIS 375 Cb 1.63 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 31.27 3m46 h HIS 375 CO 0.11 0.51 0.00 0.09 0.71 0.00 0.00 177.93 179.36 3m46 n ASN 376 N -4.44 0.00 -0.00 3.26 3.02 -0.93 -2.75 115.26 113.42 3m46 n ASN 376 Ca 0.08 0.47 0.10 0.00 -0.03 0.00 0.00 54.58 55.20 3m46 n ASN 376 Cb 0.07 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.65 3m46 n ASN 376 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3m46 n LEU 377 N -1.48 0.94 0.30 3.41 4.77 -0.90 -4.31 117.00 119.73 3m46 n LEU 377 Ca 0.02 -0.46 -0.18 0.00 -0.03 0.00 0.00 56.01 55.36 3m46 n LEU 377 Cb 0.09 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 3m46 n LEU 377 CO 0.07 0.23 0.52 0.15 -1.33 0.00 0.00 177.39 177.04 3m46 h PHE 378 N 0.00 -1.40 -0.18 -1.77 3.57 -1.67 0.73 116.94 116.22 3m46 h PHE 378 Ca 0.00 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 3m46 h PHE 378 Cb 0.52 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3m46 h PHE 378 CO 0.00 -0.68 -0.31 0.78 -2.23 0.00 0.00 178.31 175.87 3m46 h GLY 379 N -1.02 0.38 -0.08 2.40 0.00 -1.75 0.27 103.07 103.27 3m46 h GLY 379 Ca -0.07 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 46.95 3m46 h GLY 379 CO -0.06 0.30 -0.09 -1.82 0.00 0.00 0.00 176.54 174.87 3m46 h TYR 380 N 0.31 -0.27 -0.01 5.60 3.20 -1.66 -1.70 116.97 122.44 3m46 h TYR 380 Ca 0.04 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3m46 h TYR 380 Cb 0.71 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 3m46 h TYR 380 CO 0.02 -0.07 0.00 -0.91 -1.64 0.00 0.00 178.16 175.56 3m46 h ASN 381 N -0.05 0.00 -0.40 -2.11 2.35 0.40 0.15 115.58 115.93 3m46 h ASN 381 Ca 0.01 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 3m46 h ASN 381 Cb 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3m46 h ASN 381 CO -0.10 0.00 -0.12 -0.03 -1.65 0.00 0.00 177.43 175.52 3m46 h MET 382 N 0.00 0.86 0.02 0.81 4.05 -0.69 0.68 114.93 120.65 3m46 h MET 382 Ca 0.00 -0.30 -0.20 0.00 -0.28 0.00 0.00 59.70 58.92 3m46 h MET 382 Cb 0.01 -0.06 0.02 0.00 -0.80 0.00 0.00 31.60 30.77 3m46 h MET 382 CO -0.00 0.93 -0.81 1.15 0.23 0.00 0.00 176.91 178.42 3m46 h THR 383 N 0.77 1.37 -1.04 -0.77 2.02 0.09 -2.84 112.91 112.50 3m46 h THR 383 Ca 0.12 -2.19 0.27 0.00 0.77 0.00 0.00 66.41 65.38 3m46 h THR 383 Cb 0.63 2.58 -0.11 0.00 -1.74 0.00 0.00 68.15 69.51 3m46 h THR 383 CO 0.04 0.65 0.65 -0.09 0.37 0.00 0.00 175.52 177.15 3m46 h ARG 384 N 0.07 0.42 -0.11 6.66 2.43 -0.72 -0.36 114.38 122.77 3m46 h ARG 384 Ca -0.11 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3m46 h ARG 384 Cb 1.51 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.95 3m46 h ARG 384 CO 0.16 0.28 0.06 0.00 -1.51 0.00 0.00 179.97 178.96 3m46 h ALA 385 N 1.66 0.14 -0.18 2.80 0.00 -0.61 -1.79 119.26 121.28 3m46 h ALA 385 Ca 0.63 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.33 3m46 h ALA 385 Cb 1.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3m46 h ALA 385 CO -0.37 -0.33 -0.55 0.00 0.00 0.00 0.00 179.25 178.00 3m46 h ALA 386 N 0.96 0.70 0.00 0.00 0.00 -1.35 -2.23 119.26 117.33 3m46 h ALA 386 Ca 0.04 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3m46 h ALA 386 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3m46 h ALA 386 CO -0.01 0.69 -0.33 0.78 0.00 0.00 0.00 179.25 180.38 3m46 h GLY 387 N 1.07 0.00 1.18 0.00 0.00 -0.86 -1.98 103.07 102.47 3m46 h GLY 387 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.01 3m46 h GLY 387 CO 0.10 0.00 -1.56 0.83 0.00 0.00 0.00 176.54 175.91 3m46 h GLU 388 N 0.00 0.42 -0.73 4.80 5.08 -1.24 -3.26 114.58 119.65 3m46 h GLU 388 Ca -0.00 -0.72 0.09 0.00 -1.00 0.00 0.00 59.36 57.73 3m46 h GLU 388 Cb 0.78 0.27 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 3m46 h GLU 388 CO 0.04 1.33 0.48 0.00 -1.00 0.00 0.00 179.01 179.86 3m46 h ALA 389 N 0.24 1.82 -0.59 3.43 0.00 -1.17 -2.11 119.26 120.89 3m46 h ALA 389 Ca -0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3m46 h ALA 389 Cb 2.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 3m46 h ALA 389 CO 0.22 0.03 0.01 0.74 0.00 0.00 0.00 179.25 180.25 3m46 h PHE 390 N 0.65 1.10 0.00 0.00 0.04 -1.45 -2.51 116.94 114.76 3m46 h PHE 390 Ca 0.33 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 3m46 h PHE 390 Cb 0.44 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 3m46 h PHE 390 CO -0.00 0.97 -0.09 0.93 -0.60 0.00 0.00 178.31 179.52 3m46 h GLU 391 N 0.93 0.00 0.06 1.51 5.08 -1.44 -0.95 114.58 119.77 3m46 h GLU 391 Ca 0.17 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 3m46 h GLU 391 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3m46 h GLU 391 CO 0.03 0.09 -0.74 0.00 -1.00 0.00 0.00 179.01 177.39 3m46 h ARG 392 N 0.00 0.12 0.57 2.33 3.08 -1.20 -2.80 114.38 116.49 3m46 h ARG 392 Ca -0.00 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3m46 h ARG 392 Cb 0.57 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3m46 h ARG 392 CO 0.01 1.10 -0.30 0.82 -1.07 0.00 0.00 179.97 180.53 3m46 h ILE 393 N -0.70 0.38 -1.80 2.04 5.03 -1.47 -3.42 117.51 117.57 3m46 h ILE 393 Ca -0.17 0.00 -0.33 0.00 -0.12 0.00 0.00 64.86 64.24 3m46 h ILE 393 Cb 1.37 0.38 -0.29 0.00 -3.03 0.00 0.00 36.82 35.25 3m46 h ILE 393 CO 0.01 0.00 -0.67 -0.62 -0.68 0.00 0.00 178.15 176.19 3m46 s ASP 394 N -4.49 0.67 0.51 1.72 -1.08 -0.36 -5.02 116.67 108.62 3m46 s ASP 394 Ca -0.17 -1.62 0.26 0.00 -0.52 0.00 0.00 52.55 50.50 3m46 s ASP 394 Cb 0.04 0.75 1.36 0.00 -1.46 0.00 0.00 42.92 43.61 3m46 s ASP 394 CO 0.63 -0.22 1.91 -0.65 0.52 0.00 0.00 175.17 177.35 3m46 h PRO 395 N 6.78 0.10 -0.16 4.34 0.11 -1.61 -1.83 132.00 139.73 3m46 h PRO 395 Ca 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3m46 h PRO 395 Cb 1.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3m46 h PRO 395 CO 0.18 0.07 0.00 0.39 -0.21 0.00 0.00 178.00 178.43 3m46 n GLU 396 N -4.36 1.81 -4.80 1.05 -0.58 -1.26 -4.86 120.64 107.64 3m46 n GLU 396 Ca 0.16 -1.21 -0.33 0.00 -0.42 0.00 0.00 57.16 55.36 3m46 n GLU 396 Cb 0.80 -1.42 -0.14 0.00 -0.57 0.00 0.00 31.44 30.11 3m46 n GLU 396 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3m46 s LYS 397 N -1.79 3.18 0.03 3.49 2.20 -0.69 -2.16 119.74 124.00 3m46 s LYS 397 Ca 0.33 -0.69 -0.21 0.00 -0.36 0.00 0.00 55.97 55.05 3m46 s LYS 397 Cb 0.18 -2.57 -0.06 0.00 -1.51 0.00 0.00 37.83 33.87 3m46 s LYS 397 CO 0.28 0.31 0.61 1.03 -0.36 0.00 0.00 175.35 177.21 3m46 s ARG 398 N 0.10 4.31 0.16 4.03 0.52 -0.52 -4.94 118.95 122.61 3m46 s ARG 398 Ca -0.06 0.77 0.09 0.00 -0.52 0.00 0.00 55.73 56.02 3m46 s ARG 398 Cb -0.15 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 3m46 s ARG 398 CO 0.05 0.45 -0.15 -0.06 0.02 0.00 0.00 175.30 175.60 3m46 s PHE 399 N -0.49 2.53 -0.02 -0.53 0.08 -1.26 -4.41 117.98 113.88 3m46 s PHE 399 Ca 0.31 -0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.80 3m46 s PHE 399 Cb -0.19 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.95 3m46 s PHE 399 CO 0.18 0.47 1.09 -1.17 -0.10 0.00 0.00 175.22 175.69 3m46 s LEU 400 N -2.58 4.33 -0.17 -0.37 2.96 -0.89 -4.46 118.68 117.50 3m46 s LEU 400 Ca 0.22 1.75 -0.08 0.00 -0.22 0.00 0.00 54.13 55.80 3m46 s LEU 400 Cb -0.09 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.09 3m46 s LEU 400 CO 0.12 -0.42 0.39 -0.32 -1.32 0.00 0.00 176.35 174.81 3m46 s MET 401 N 1.48 0.36 -0.01 1.98 -2.45 -1.25 -0.27 119.30 119.13 3m46 s MET 401 Ca 0.54 0.80 -0.22 0.00 -1.25 0.00 0.00 55.69 55.55 3m46 s MET 401 Cb -0.23 0.01 0.04 0.00 1.25 0.00 0.00 34.83 35.90 3m46 s MET 401 CO 0.25 -0.18 0.48 -0.59 1.05 0.00 0.00 175.02 176.03 3m46 s PHE 402 N 1.58 -0.39 0.18 4.11 -0.71 -1.19 -2.02 117.98 119.54 3m46 s PHE 402 Ca -0.08 0.59 0.07 0.00 -1.04 0.00 0.00 56.93 56.47 3m46 s PHE 402 Cb -0.09 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.92 3m46 s PHE 402 CO -0.12 -0.52 -0.13 0.45 -1.34 0.00 0.00 175.22 173.56 3m46 s SER 403 N -1.43 2.30 -0.13 1.98 0.15 -0.39 -1.05 113.70 115.14 3m46 s SER 403 Ca -0.11 -1.00 -0.10 0.00 0.70 0.00 0.00 55.95 55.44 3m46 s SER 403 Cb -0.02 -0.09 -0.08 0.00 -1.71 0.00 0.00 66.02 64.11 3m46 s SER 403 CO 0.05 -0.21 0.15 -0.09 1.20 0.00 0.00 173.24 174.34 3m46 h ARG 404 N 2.72 0.00 -6.88 5.44 2.43 -1.54 -3.09 114.38 113.46 3m46 h ARG 404 Ca -0.38 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.32 3m46 h ARG 404 Cb 1.21 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 3m46 h ARG 404 CO 0.61 0.31 0.27 0.45 -1.51 0.00 0.00 179.97 180.10 3m46 s SER 405 N -5.85 7.04 0.17 -3.80 0.15 -1.26 -4.73 113.70 105.41 3m46 s SER 405 Ca -0.10 1.62 -0.20 0.00 0.70 0.00 0.00 55.95 57.98 3m46 s SER 405 Cb 0.00 -2.51 0.05 0.00 -1.71 0.00 0.00 66.02 61.85 3m46 s SER 405 CO 0.25 -0.19 0.54 -0.94 1.20 0.00 0.00 173.24 174.09 3m46 s SER 406 N -1.96 -0.38 0.04 5.45 1.04 -1.20 -4.27 113.70 112.42 3m46 s SER 406 Ca 0.55 -0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.66 3m46 s SER 406 Cb -0.13 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 3m46 s SER 406 CO 0.18 -0.99 0.10 -0.47 0.98 0.00 0.00 173.24 173.03 3m46 s TYR 407 N -3.81 0.20 0.27 5.02 5.04 -1.26 -1.81 117.35 121.01 3m46 s TYR 407 Ca 0.05 -0.51 -0.30 0.00 -2.44 0.00 0.00 57.07 53.87 3m46 s TYR 407 Cb -0.01 -0.14 -0.11 0.00 0.35 0.00 0.00 41.96 42.05 3m46 s TYR 407 CO -0.08 -0.37 1.49 0.42 -1.34 0.00 0.00 175.55 175.67 3m46 s ILE 408 N -2.62 2.42 0.00 3.14 1.01 -1.24 -1.91 121.20 122.00 3m46 s ILE 408 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.96 3m46 s ILE 408 Cb -0.01 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3m46 s ILE 408 CO -0.05 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.56 3m46 n GLY 409 N 2.04 2.27 0.20 6.18 0.00 -1.26 -4.53 105.19 110.09 3m46 n GLY 409 Ca 0.07 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 3m46 n GLY 409 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3m46 h MET 410 N 0.00 0.36 -0.40 1.61 -1.53 -1.73 -3.21 114.93 110.03 3m46 h MET 410 Ca 0.00 -0.20 0.11 0.00 -3.44 0.00 0.00 59.70 56.18 3m46 h MET 410 Cb 0.00 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.04 3m46 h MET 410 CO 0.00 0.76 1.05 1.12 0.14 0.00 0.00 176.91 179.97 3m46 h HIS 411 N 0.29 0.00 0.00 1.39 -0.00 -1.76 0.43 115.15 115.50 3m46 h HIS 411 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3m46 h HIS 411 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.35 3m46 h HIS 411 CO 0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 177.93 177.65 3m46 h ARG 412 N 0.00 0.00 0.00 5.12 3.08 -1.72 0.23 114.38 121.09 3m46 h ARG 412 Ca 0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 3m46 h ARG 412 Cb 2.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.33 3m46 h ARG 412 CO -0.00 0.00 -1.31 0.66 -1.07 0.00 0.00 179.97 178.24 3m46 n TYR 413 N -2.55 0.00 -3.75 3.04 4.01 0.15 -3.99 117.16 114.07 3m46 n TYR 413 Ca 0.04 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3m46 n TYR 413 Cb 0.48 -0.16 -0.00 0.00 -0.31 0.00 0.00 39.34 39.35 3m46 n TYR 413 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3m46 s GLY 414 N -2.81 -0.24 0.15 2.72 0.00 -1.12 -4.70 107.32 101.32 3m46 s GLY 414 Ca -0.03 0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.99 3m46 s GLY 414 CO 0.28 1.24 0.20 0.61 0.00 0.00 0.00 173.10 175.44 3m46 n GLY 415 N -0.58 1.54 3.05 0.20 0.00 -0.86 -4.35 105.19 104.19 3m46 n GLY 415 Ca -0.05 -2.09 -0.17 0.00 0.00 0.00 0.00 46.02 43.70 3m46 n GLY 415 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m46 s ILE 416 N -0.06 0.72 -0.03 -0.61 -1.09 -0.82 -1.26 121.20 118.06 3m46 s ILE 416 Ca 0.14 -0.69 0.07 0.00 -2.23 0.00 0.00 60.65 57.95 3m46 s ILE 416 Cb -0.01 -0.66 -0.02 0.00 -1.58 0.00 0.00 42.46 40.19 3m46 s ILE 416 CO 0.09 -0.01 -0.24 -1.66 -1.23 0.00 0.00 174.94 171.90 3m46 s TRP 417 N -0.65 2.18 -0.22 3.97 -2.14 -1.17 -3.35 118.94 117.56 3m46 s TRP 417 Ca -0.01 -0.46 -0.14 0.00 2.66 0.00 0.00 56.10 58.15 3m46 s TRP 417 Cb -0.06 -1.41 -0.04 0.00 -3.10 0.00 0.00 33.47 28.86 3m46 s TRP 417 CO 0.00 -0.07 0.34 1.41 -2.66 0.00 0.00 176.95 175.97 3m46 s MET 418 N -0.48 4.12 0.18 3.25 -2.45 0.15 -4.80 119.30 119.28 3m46 s MET 418 Ca 0.07 0.07 0.06 0.00 -1.25 0.00 0.00 55.69 54.64 3m46 s MET 418 Cb -0.10 -3.56 -0.05 0.00 1.25 0.00 0.00 34.83 32.38 3m46 s MET 418 CO -0.00 -0.05 -0.12 0.20 1.05 0.00 0.00 175.02 176.10 3m46 s GLY 419 N 1.14 1.29 0.17 2.11 0.00 -1.26 0.22 107.32 110.98 3m46 s GLY 419 Ca 0.16 -1.60 -0.05 0.00 0.00 0.00 0.00 44.72 43.23 3m46 s GLY 419 CO 0.07 -1.69 0.21 -0.35 0.00 0.00 0.00 173.10 171.34 3m46 s ASP 420 N -3.26 0.13 -0.46 1.64 -1.08 -1.26 -4.89 116.67 107.49 3m46 s ASP 420 Ca 0.20 -1.11 0.04 0.00 -0.52 0.00 0.00 52.55 51.17 3m46 s ASP 420 Cb 0.01 0.40 0.65 0.00 -1.46 0.00 0.00 42.92 42.52 3m46 s ASP 420 CO 0.04 -0.87 1.91 0.59 0.52 0.00 0.00 175.17 177.37 3m46 n ASN 421 N -0.22 3.96 -3.60 -0.34 4.13 -1.26 -3.21 115.26 114.73 3m46 n ASN 421 Ca -0.04 -3.63 -0.12 0.00 1.68 0.00 0.00 54.58 52.47 3m46 n ASN 421 Cb 0.64 -0.84 -0.06 0.00 -1.54 0.00 0.00 39.78 37.97 3m46 n ASN 421 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3m46 s LYS 422 N -3.33 0.69 -0.44 3.52 -0.14 -1.26 -4.27 119.74 114.51 3m46 s LYS 422 Ca 0.57 0.53 -0.07 0.00 -1.36 0.00 0.00 55.97 55.64 3m46 s LYS 422 Cb 0.48 0.33 0.11 0.00 -1.68 0.00 0.00 37.83 37.07 3m46 s LYS 422 CO 0.10 -0.14 0.28 -1.12 -0.76 0.00 0.00 175.35 173.71 3m46 s SER 423 N -0.27 5.56 -0.01 2.83 0.01 -1.26 -3.50 113.70 117.05 3m46 s SER 423 Ca -0.01 -1.83 0.04 0.00 1.31 0.00 0.00 55.95 55.46 3m46 s SER 423 Cb -0.03 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 3m46 s SER 423 CO -0.00 -0.61 -0.13 0.26 0.41 0.00 0.00 173.24 173.16 3m46 s TRP 424 N 1.32 1.21 0.28 2.43 0.51 -1.26 -4.88 118.94 118.54 3m46 s TRP 424 Ca 0.05 -0.23 0.02 0.00 -2.12 0.00 0.00 56.10 53.82 3m46 s TRP 424 Cb -0.24 -0.78 0.58 0.00 -0.81 0.00 0.00 33.47 32.22 3m46 s TRP 424 CO -0.01 -0.03 1.82 -1.49 -0.51 0.00 0.00 176.95 176.73 3m46 h TRP 425 N 5.84 1.10 -0.04 -1.98 4.06 -1.98 0.78 115.95 123.73 3m46 h TRP 425 Ca -0.34 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.66 3m46 h TRP 425 Cb 1.16 -0.34 -0.00 0.00 -1.00 0.00 0.00 29.16 28.98 3m46 h TRP 425 CO 0.40 0.39 0.08 0.66 -3.56 0.00 0.00 178.44 176.41 3m46 h SER 426 N 0.92 0.00 1.60 -3.49 4.64 -1.96 -2.71 113.55 112.55 3m46 h SER 426 Ca 0.51 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.81 3m46 h SER 426 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3m46 h SER 426 CO -0.29 0.00 -0.10 0.45 -0.87 0.00 0.00 176.83 176.02 3m46 h HIS 427 N 0.00 0.00 0.49 4.77 3.86 -1.24 -1.82 115.15 121.21 3m46 h HIS 427 Ca 0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3m46 h HIS 427 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3m46 h HIS 427 CO 0.00 0.10 -0.24 0.82 0.86 0.00 0.00 177.93 179.47 3m46 h ILE 428 N 0.00 0.52 -0.39 2.45 2.04 -1.58 0.16 117.51 120.71 3m46 h ILE 428 Ca -0.00 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3m46 h ILE 428 Cb 0.93 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 3m46 h ILE 428 CO 0.01 0.01 -0.03 0.25 0.00 0.00 0.00 178.15 178.39 3m46 h LEU 429 N -0.69 -0.23 -0.03 1.44 5.85 -1.67 0.16 115.31 120.14 3m46 h LEU 429 Ca -0.07 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3m46 h LEU 429 Cb 0.52 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3m46 h LEU 429 CO 0.11 -0.08 -0.28 0.25 -0.34 0.00 0.00 178.44 178.10 3m46 h LEU 430 N 0.07 -0.85 -1.15 2.25 6.46 -1.27 0.57 115.31 121.39 3m46 h LEU 430 Ca 0.19 0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 58.04 3m46 h LEU 430 Cb 0.28 0.35 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 3m46 h LEU 430 CO -0.35 -0.34 0.21 0.78 -0.62 0.00 0.00 178.44 178.12 3m46 h ASN 431 N -0.41 0.74 0.19 1.25 -0.26 -0.71 -0.27 115.58 116.10 3m46 h ASN 431 Ca 0.07 -0.09 0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3m46 h ASN 431 Cb 0.51 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.55 3m46 h ASN 431 CO -0.26 0.67 -0.34 0.25 -1.06 0.00 0.00 177.43 176.69 3m46 h LEU 432 N 0.80 -0.95 -1.02 1.61 7.12 -0.19 -3.00 115.31 119.68 3m46 h LEU 432 Ca 0.19 0.10 -0.07 0.00 0.13 0.00 0.00 57.88 58.23 3m46 h LEU 432 Cb 0.17 0.35 -0.02 0.00 -0.53 0.00 0.00 40.66 40.63 3m46 h LEU 432 CO -0.02 -0.44 -0.08 0.11 -0.13 0.00 0.00 178.44 177.88 3m46 h LYS 433 N -0.60 0.61 -0.53 1.25 1.57 -0.31 -2.83 116.57 115.73 3m46 h LYS 433 Ca 0.01 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3m46 h LYS 433 Cb 0.60 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3m46 h LYS 433 CO -0.15 0.69 0.35 0.52 -0.57 0.00 0.00 179.45 180.29 3m46 h MET 434 N 0.57 0.66 -0.30 3.15 2.86 -1.01 -3.34 114.93 117.51 3m46 h MET 434 Ca 0.11 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 3m46 h MET 434 Cb 0.49 -0.15 -0.08 0.00 0.06 0.00 0.00 31.60 31.92 3m46 h MET 434 CO 0.03 0.43 -0.46 -0.07 1.06 0.00 0.00 176.91 177.90 3m46 h LEU 435 N 0.68 -1.51 -1.24 1.22 3.38 -1.35 -1.18 115.31 115.31 3m46 h LEU 435 Ca 0.20 0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.35 3m46 h LEU 435 Cb -0.02 0.63 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3m46 h LEU 435 CO -0.05 -0.41 0.22 1.55 0.09 0.00 0.00 178.44 179.85 3m46 h PRO 436 N -0.42 0.74 -0.25 1.13 0.13 -1.77 -2.35 132.00 129.23 3m46 h PRO 436 Ca 0.10 -0.10 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3m46 h PRO 436 Cb 0.61 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 3m46 h PRO 436 CO -0.52 0.61 -0.14 0.77 -0.23 0.00 0.00 178.00 178.49 3m46 h SER 437 N 0.74 0.40 -0.29 1.44 0.02 -1.56 -0.21 113.55 114.09 3m46 h SER 437 Ca 0.18 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 3m46 h SER 437 Cb 0.13 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3m46 h SER 437 CO -0.02 0.57 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.78 3m46 h LEU 438 N 0.38 0.84 -1.14 5.07 3.38 -0.78 -3.06 115.31 119.99 3m46 h LEU 438 Ca 0.07 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.59 3m46 h LEU 438 Cb 0.48 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3m46 h LEU 438 CO 0.03 1.17 0.59 0.78 0.09 0.00 0.00 178.44 181.10 3m46 h ASN 439 N 0.52 0.93 -0.80 -0.43 2.35 -0.96 0.40 115.58 117.60 3m46 h ASN 439 Ca 0.03 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3m46 h ASN 439 Cb 0.98 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 39.10 3m46 h ASN 439 CO 0.09 0.61 0.52 0.24 -1.65 0.00 0.00 177.43 177.25 3m46 h MET 440 N 1.06 0.90 -0.73 0.81 2.86 -0.95 -2.18 114.93 116.71 3m46 h MET 440 Ca 0.37 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 3m46 h MET 440 Cb 0.12 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3m46 h MET 440 CO -0.13 0.59 0.00 0.00 1.06 0.00 0.00 176.91 178.43 3m46 n GLY 442 N 1.58 0.37 3.49 0.00 0.00 -0.74 -4.81 105.19 105.07 3m46 n GLY 442 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 3m46 n GLY 442 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m46 s PHE 443 N -2.07 2.95 -0.19 1.61 0.08 0.03 -4.68 117.98 115.70 3m46 s PHE 443 Ca 0.00 -0.26 -0.05 0.00 0.12 0.00 0.00 56.93 56.74 3m46 s PHE 443 Cb 0.00 -3.74 -0.10 0.00 -0.57 0.00 0.00 43.02 38.61 3m46 s PHE 443 CO 0.00 -1.14 -0.21 -1.33 -0.10 0.00 0.00 175.22 172.44 3m46 n MET 444 N 6.71 0.44 -2.47 0.44 2.81 -1.26 -2.92 117.12 120.86 3m46 n MET 444 Ca -0.03 0.15 -0.39 0.00 -1.81 0.00 0.00 57.70 55.63 3m46 n MET 444 Cb 0.47 -1.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.67 3m46 n MET 444 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3m46 s TYR 445 N -2.36 2.39 0.05 2.03 5.04 -1.26 -4.61 117.35 118.63 3m46 s TYR 445 Ca -0.26 -0.55 0.02 0.00 -2.44 0.00 0.00 57.07 53.84 3m46 s TYR 445 Cb 0.09 -4.58 -0.03 0.00 0.35 0.00 0.00 41.96 37.79 3m46 s TYR 445 CO 0.38 -1.92 -0.07 0.95 -1.34 0.00 0.00 175.55 173.55 3m46 s THR 446 N 5.89 0.53 0.00 4.34 -4.23 -1.26 -1.94 115.64 118.97 3m46 s THR 446 Ca 0.50 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 3m46 s THR 446 Cb -0.02 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.96 3m46 s THR 446 CO -0.07 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 3m46 n GLY 447 N 1.08 2.59 3.28 3.99 0.00 -1.21 -2.26 105.19 112.65 3m46 n GLY 447 Ca -0.20 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 3m46 n GLY 447 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m46 s ALA 448 N -1.28 0.22 0.31 4.61 0.00 -1.26 -0.68 121.76 123.68 3m46 s ALA 448 Ca 0.00 -1.03 0.11 0.00 0.00 0.00 0.00 51.96 51.04 3m46 s ALA 448 Cb 0.00 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 3m46 s ALA 448 CO 0.00 -0.59 -0.13 -0.51 0.00 0.00 0.00 175.76 174.53 3m46 s ASP 449 N -2.98 3.77 -0.81 0.00 1.01 0.59 -4.75 116.67 113.50 3m46 s ASP 449 Ca 0.18 -1.05 0.02 0.00 0.71 0.00 0.00 52.55 52.41 3m46 s ASP 449 Cb 0.04 -0.38 0.20 0.00 1.01 0.00 0.00 42.92 43.80 3m46 s ASP 449 CO -0.00 -0.07 0.68 -0.11 0.21 0.00 0.00 175.17 175.88 3m46 n LEU 450 N -0.73 3.74 0.00 1.23 7.94 -1.26 -4.27 117.00 123.65 3m46 n LEU 450 Ca -0.05 -5.19 0.00 0.00 -1.11 0.00 0.00 56.01 49.66 3m46 n LEU 450 Cb 0.61 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.63 3m46 n LEU 450 CO 0.40 1.68 0.08 0.61 -1.11 0.00 0.00 177.39 179.06 3m46 n GLY 451 N 2.03 -1.25 0.00 -3.96 0.00 -1.20 -4.76 105.19 96.05 3m46 n GLY 451 Ca 0.22 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3m46 n GLY 451 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m46 n GLY 452 N -0.37 -0.57 2.19 -0.02 0.00 -1.26 -4.06 105.19 101.10 3m46 n GLY 452 Ca 0.00 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.65 3m46 n GLY 452 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m46 n ASP 455 N 0.00 6.04 -1.01 1.61 2.03 -1.26 -4.78 116.55 119.18 3m46 n ASP 455 Ca 0.00 -2.73 0.08 0.00 0.52 0.00 0.00 54.79 52.65 3m46 n ASP 455 Cb 0.00 -1.37 0.26 0.00 -0.72 0.00 0.00 41.12 39.29 3m46 n ASP 455 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3m46 n ASP 456 N 2.08 3.97 -4.55 1.67 8.00 -1.26 -4.85 116.55 121.59 3m46 n ASP 456 Ca 0.49 -2.74 -0.39 0.00 0.71 0.00 0.00 54.79 52.86 3m46 n ASP 456 Cb 0.72 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 3m46 n ASP 456 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3m46 s THR 457 N -2.33 3.60 0.59 -3.53 2.01 -1.26 -4.96 115.64 109.76 3m46 s THR 457 Ca 0.40 0.11 -0.15 0.00 0.31 0.00 0.00 61.69 62.36 3m46 s THR 457 Cb 0.30 -4.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 3m46 s THR 457 CO 0.13 -1.48 1.04 0.42 -0.69 0.00 0.00 174.62 174.04 3m46 s THR 458 N 7.13 4.07 0.19 -0.82 -4.23 -1.26 -4.91 115.64 115.81 3m46 s THR 458 Ca 0.50 0.92 -0.21 0.00 -1.18 0.00 0.00 61.69 61.72 3m46 s THR 458 Cb -0.08 -3.49 0.13 0.00 1.34 0.00 0.00 72.50 70.39 3m46 s THR 458 CO 0.12 -0.64 1.57 -0.09 -0.54 0.00 0.00 174.62 175.04 3m46 h ARG 459 N 0.34 -0.12 -0.68 3.99 2.43 -1.98 -2.06 114.38 116.30 3m46 h ARG 459 Ca -0.46 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 3m46 h ARG 459 Cb 1.21 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 3m46 h ARG 459 CO 0.59 -0.08 0.39 0.38 -1.51 0.00 0.00 179.97 179.73 3m46 h ASP 460 N -0.13 0.83 -0.41 -3.80 2.03 -1.99 -1.59 116.42 111.36 3m46 h ASP 460 Ca 0.25 -0.08 0.06 0.00 -0.73 0.00 0.00 57.03 56.53 3m46 h ASP 460 Cb 0.56 -0.21 -0.06 0.00 -0.83 0.00 0.00 39.33 38.79 3m46 h ASP 460 CO -0.77 0.67 0.07 0.25 -1.03 0.00 0.00 179.24 178.43 3m46 h LEU 461 N 0.93 -0.01 -0.71 0.15 5.85 -1.77 -0.83 115.31 118.91 3m46 h LEU 461 Ca 0.24 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.05 3m46 h LEU 461 Cb 0.01 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3m46 h LEU 461 CO -0.04 0.03 0.46 0.25 -0.34 0.00 0.00 178.44 178.80 3m46 h LEU 462 N 0.20 0.78 0.18 2.25 5.85 -1.13 0.16 115.31 123.62 3m46 h LEU 462 Ca 0.20 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3m46 h LEU 462 Cb 0.24 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3m46 h LEU 462 CO -0.27 0.56 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.23 3m46 h LEU 463 N 0.93 -0.21 -0.92 2.25 3.38 -0.49 0.01 115.31 120.26 3m46 h LEU 463 Ca 0.27 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 3m46 h LEU 463 Cb -0.05 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3m46 h LEU 463 CO -0.08 -0.07 -0.10 0.03 0.09 0.00 0.00 178.44 178.31 3m46 h ARG 464 N -0.33 0.68 -0.29 1.13 2.47 -1.01 -2.05 114.38 114.97 3m46 h ARG 464 Ca -0.03 -0.21 0.01 0.00 -1.26 0.00 0.00 59.98 58.50 3m46 h ARG 464 Cb 0.26 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 3m46 h ARG 464 CO 0.04 0.77 0.17 0.35 0.56 0.00 0.00 179.97 181.86 3m46 h PHE 465 N 0.62 0.32 -0.24 3.04 3.57 -0.43 -2.63 116.94 121.21 3m46 h PHE 465 Ca 0.11 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3m46 h PHE 465 Cb 0.54 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3m46 h PHE 465 CO 0.02 0.19 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.11 3m46 h LEU 466 N 0.36 0.37 -1.06 0.59 3.38 -0.67 -2.22 115.31 116.05 3m46 h LEU 466 Ca 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3m46 h LEU 466 Cb -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3m46 h LEU 466 CO -0.05 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.00 3m46 h ALA 467 N 1.52 1.00 0.07 1.53 0.00 -1.02 0.29 119.26 122.65 3m46 h ALA 467 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 3m46 h ALA 467 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3m46 h ALA 467 CO 0.02 0.00 -1.49 1.25 0.00 0.00 0.00 179.25 179.04 3m46 h LEU 468 N 0.00 0.22 -1.14 0.00 5.85 -1.20 -3.39 115.31 115.64 3m46 h LEU 468 Ca 0.00 -0.74 0.27 0.00 0.84 0.00 0.00 57.88 58.25 3m46 h LEU 468 Cb 0.31 -0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.15 3m46 h LEU 468 CO 0.00 1.62 0.63 1.23 -0.34 0.00 0.00 178.44 181.58 3m46 h GLY 469 N -0.11 1.67 -1.03 3.75 0.00 -0.53 -0.42 103.07 106.40 3m46 h GLY 469 Ca -0.35 -0.26 0.42 0.00 0.00 0.00 0.00 47.33 47.13 3m46 h GLY 469 CO -0.05 -0.23 0.58 -0.62 0.00 0.00 0.00 176.54 176.22 3m46 n VAL 470 N -4.80 -0.38 0.89 4.60 0.31 0.86 -1.17 118.33 118.64 3m46 n VAL 470 Ca 0.27 1.93 0.10 0.00 -0.01 0.00 0.00 64.34 66.63 3m46 n VAL 470 Cb 0.83 -3.14 -0.11 0.00 -0.91 0.00 0.00 33.84 30.52 3m46 n VAL 470 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3m46 n PHE 471 N -5.10 0.00 -3.09 3.52 3.72 -0.17 -4.85 117.46 111.50 3m46 n PHE 471 Ca 0.37 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.38 3m46 n PHE 471 Cb 1.30 -0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 39.72 3m46 n PHE 471 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3m46 s THR 472 N -3.06 4.87 0.14 4.37 -4.23 -0.32 -4.97 115.64 112.45 3m46 s THR 472 Ca 0.06 1.43 -0.22 0.00 -1.18 0.00 0.00 61.69 61.78 3m46 s THR 472 Cb 0.16 -4.02 0.00 0.00 1.34 0.00 0.00 72.50 69.98 3m46 s THR 472 CO 0.87 0.36 1.66 -0.65 -0.54 0.00 0.00 174.62 176.32 3m46 h PRO 473 N 5.90 -0.18 -6.19 3.99 0.11 -1.77 -3.33 132.00 130.54 3m46 h PRO 473 Ca -0.44 0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.12 3m46 h PRO 473 Cb 1.20 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3m46 h PRO 473 CO 0.71 -0.12 0.85 -1.17 -0.21 0.00 0.00 178.00 178.07 3m46 s LEU 474 N -10.46 4.20 -0.21 2.35 2.96 -0.96 -4.62 118.68 111.95 3m46 s LEU 474 Ca -0.14 1.72 -0.02 0.00 -0.22 0.00 0.00 54.13 55.47 3m46 s LEU 474 Cb 0.11 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.32 3m46 s LEU 474 CO 0.68 -0.72 0.02 -0.32 -1.32 0.00 0.00 176.35 174.69 3m46 s MET 475 N 3.18 0.91 0.37 1.98 -2.45 -1.25 -3.97 119.30 118.07 3m46 s MET 475 Ca 0.55 -0.60 0.05 0.00 -1.25 0.00 0.00 55.69 54.44 3m46 s MET 475 Cb -0.22 -2.23 -0.03 0.00 1.25 0.00 0.00 34.83 33.60 3m46 s MET 475 CO 0.16 -0.65 0.21 -0.98 1.05 0.00 0.00 175.02 174.81 3m46 s ARG 476 N 1.72 1.84 -0.39 4.11 1.70 -1.26 -2.04 118.95 124.63 3m46 s ARG 476 Ca -0.02 -2.10 0.01 0.00 -0.47 0.00 0.00 55.73 53.16 3m46 s ARG 476 Cb -0.18 -0.12 0.12 0.00 -0.57 0.00 0.00 34.95 34.21 3m46 s ARG 476 CO -0.08 -0.57 0.18 0.34 -1.08 0.00 0.00 175.30 174.09 3m46 s ASP 477 N -3.49 3.80 -0.20 -2.89 2.15 0.36 -4.91 116.67 111.49 3m46 s ASP 477 Ca 0.32 -2.25 -0.00 0.00 0.43 0.00 0.00 52.55 51.05 3m46 s ASP 477 Cb 0.02 -0.97 0.05 0.00 -0.30 0.00 0.00 42.92 41.72 3m46 s ASP 477 CO 0.21 -0.32 -0.05 -2.28 -0.17 0.00 0.00 175.17 172.56 3m46 s HIS 478 N 0.84 1.95 0.26 -5.34 2.46 -1.26 -0.85 115.29 113.35 3m46 s HIS 478 Ca 0.15 -1.34 0.06 0.00 0.47 0.00 0.00 55.06 54.39 3m46 s HIS 478 Cb -0.22 -1.41 -0.02 0.00 -0.13 0.00 0.00 32.58 30.80 3m46 s HIS 478 CO -0.08 -0.68 0.23 0.00 -2.47 0.00 0.00 174.74 171.73 3m46 n ALA 479 N 4.80 0.51 -2.36 1.58 0.00 -1.21 -4.50 120.51 119.33 3m46 n ALA 479 Ca -0.12 -1.51 -0.40 0.00 0.00 0.00 0.00 53.44 51.41 3m46 n ALA 479 Cb 0.46 1.22 -0.05 0.00 0.00 0.00 0.00 19.45 21.09 3m46 n ALA 479 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m46 s ALA 480 N -3.03 3.36 0.18 0.00 0.00 -1.26 -1.54 121.76 119.49 3m46 s ALA 480 Ca 0.31 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.62 3m46 s ALA 480 Cb 0.01 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 3m46 s ALA 480 CO 0.22 0.07 0.22 -2.00 0.00 0.00 0.00 175.76 174.28 3m46 s GLU 481 N -0.13 3.15 0.33 0.00 2.12 -1.20 -4.90 118.70 118.06 3m46 s GLU 481 Ca 0.39 -0.80 -0.16 0.00 0.36 0.00 0.00 54.97 54.76 3m46 s GLU 481 Cb -0.21 -2.77 0.03 0.00 0.26 0.00 0.00 34.13 31.44 3m46 s GLU 481 CO 0.24 0.47 0.70 -2.00 -0.54 0.00 0.00 175.26 174.13 3m46 s GLU 492 N -3.39 1.97 -0.17 4.30 2.12 -1.26 -5.04 118.70 117.23 3m46 s GLU 492 Ca 0.33 -1.28 -0.04 0.00 0.36 0.00 0.00 54.97 54.34 3m46 s GLU 492 Cb -0.10 0.59 0.01 0.00 0.26 0.00 0.00 34.13 34.89 3m46 s GLU 492 CO 0.26 -0.90 0.10 0.09 -0.54 0.00 0.00 175.26 174.27 3m46 n ASN 493 N -0.94 -0.62 -0.63 -1.70 5.03 -1.26 -4.83 115.26 110.31 3m46 n ASN 493 Ca -0.05 -0.19 0.49 0.00 0.87 0.00 0.00 54.58 55.70 3m46 n ASN 493 Cb 0.60 -0.23 0.77 0.00 -1.02 0.00 0.00 39.78 39.90 3m46 n ASN 493 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 3m46 h ILE 494 N 2.03 0.00 0.00 2.41 2.10 -2.05 -2.71 117.51 119.29 3m46 h ILE 494 Ca -0.10 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.84 3m46 h ILE 494 Cb 0.21 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 35.94 3m46 h ILE 494 CO 0.07 0.00 -0.01 1.05 -1.08 0.00 0.00 178.15 178.18 3m46 h GLU 495 N 0.00 0.00 -0.18 2.19 9.09 -2.00 -2.86 114.58 120.82 3m46 h GLU 495 Ca 0.92 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 60.17 3m46 h GLU 495 Cb 3.45 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 30.54 3m46 h GLU 495 CO -0.18 0.00 -0.56 -0.44 0.05 0.00 0.00 179.01 177.88 3m46 h ASP 496 N 0.00 0.63 -0.64 3.06 3.32 -1.86 -2.83 116.42 118.09 3m46 h ASP 496 Ca 0.00 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 3m46 h ASP 496 Cb 0.81 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3m46 h ASP 496 CO 0.00 1.06 0.20 -0.26 -1.72 0.00 0.00 179.24 178.52 3m46 h PHE 497 N 0.43 1.04 -0.69 4.55 -1.00 -1.68 -2.96 116.94 116.63 3m46 h PHE 497 Ca 0.01 -0.10 -0.05 0.00 2.81 0.00 0.00 57.97 60.63 3m46 h PHE 497 Cb 1.11 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 40.34 3m46 h PHE 497 CO 0.05 0.84 0.24 -0.09 -1.61 0.00 0.00 178.31 177.74 3m46 h ARG 498 N 0.93 1.06 -0.33 1.51 2.43 -1.53 -2.72 114.38 115.73 3m46 h ARG 498 Ca 0.21 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3m46 h ARG 498 Cb 0.29 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3m46 h ARG 498 CO -0.01 0.90 0.00 0.77 -1.51 0.00 0.00 179.97 180.13 3m46 h SER 499 N 1.00 0.47 -0.14 -3.80 0.02 -1.34 0.16 113.55 109.93 3m46 h SER 499 Ca 0.23 -0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 3m46 h SER 499 Cb 0.27 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.70 3m46 h SER 499 CO -0.01 0.54 -0.69 0.58 -1.14 0.00 0.00 176.83 176.11 3m46 h VAL 500 N 0.49 1.30 -0.13 2.27 2.07 -1.40 -1.95 116.25 118.89 3m46 h VAL 500 Ca 0.11 -1.92 -0.17 0.00 0.82 0.00 0.00 66.70 65.54 3m46 h VAL 500 Cb 0.31 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3m46 h VAL 500 CO 0.01 0.60 -0.62 0.40 0.02 0.00 0.00 177.57 177.98 3m46 h ILE 501 N 0.41 1.35 -0.35 4.57 1.08 -1.14 -2.50 117.51 120.92 3m46 h ILE 501 Ca -0.05 -1.93 0.07 0.00 -0.39 0.00 0.00 64.86 62.57 3m46 h ILE 501 Cb 1.33 1.91 -0.09 0.00 -3.07 0.00 0.00 36.82 36.90 3m46 h ILE 501 CO 0.14 0.59 -0.32 0.78 -0.69 0.00 0.00 178.15 178.65 3m46 h ASN 502 N 0.35 -1.06 -0.67 1.72 2.35 -0.64 -1.77 115.58 115.86 3m46 h ASN 502 Ca -0.01 0.18 0.10 0.00 -0.55 0.00 0.00 56.30 56.02 3m46 h ASN 502 Cb 1.17 0.49 -0.08 0.00 0.05 0.00 0.00 38.32 39.95 3m46 h ASN 502 CO 0.11 -0.32 0.29 0.00 -1.65 0.00 0.00 177.43 175.85 3m46 h ALA 503 N 0.70 0.90 -0.30 -0.83 0.00 -0.93 0.14 119.26 118.95 3m46 h ALA 503 Ca 0.16 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3m46 h ALA 503 Cb 0.54 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 3m46 h ALA 503 CO -0.50 -0.14 -0.42 -0.09 0.00 0.00 0.00 179.25 178.09 3m46 h ARG 504 N 0.49 -0.37 0.00 0.00 9.65 -1.08 -2.34 114.38 120.72 3m46 h ARG 504 Ca 0.34 0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 59.17 3m46 h ARG 504 Cb 0.41 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 3m46 h ARG 504 CO -0.31 -0.25 -0.37 1.88 2.80 0.00 0.00 179.97 183.72 3m46 h TYR 505 N -0.39 0.00 0.00 2.20 -1.99 -0.20 0.89 116.97 117.48 3m46 h TYR 505 Ca 0.11 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 3m46 h TYR 505 Cb 0.60 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.32 3m46 h TYR 505 CO -0.57 0.37 -0.10 0.00 -0.00 0.00 0.00 178.16 177.86 3m46 h ARG 506 N 0.00 0.00 -0.01 4.88 3.08 -0.35 -3.07 114.38 118.90 3m46 h ARG 506 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m46 h ARG 506 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3m46 h ARG 506 CO 0.05 0.10 -0.46 1.28 -1.07 0.00 0.00 179.97 179.87 3m46 n LEU 507 N -3.56 1.57 0.01 3.04 4.77 0.17 -1.53 117.00 121.47 3m46 n LEU 507 Ca -0.02 -0.71 -0.11 0.00 -0.03 0.00 0.00 56.01 55.15 3m46 n LEU 507 Cb 0.23 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3m46 n LEU 507 CO 0.29 0.31 0.66 0.58 -1.33 0.00 0.00 177.39 177.89 3m46 h VAL 508 N 1.61 0.31 -0.89 4.08 2.07 -1.08 -0.31 116.25 122.04 3m46 h VAL 508 Ca 0.00 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.75 3m46 h VAL 508 Cb 0.57 0.31 -0.13 0.00 -1.52 0.00 0.00 31.29 30.52 3m46 h VAL 508 CO 0.00 0.00 0.33 -0.65 0.02 0.00 0.00 177.57 177.27 3m46 h PRO 509 N -0.39 0.29 0.00 1.57 0.11 -1.82 0.79 132.00 132.55 3m46 h PRO 509 Ca 0.09 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3m46 h PRO 509 Cb 0.53 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3m46 h PRO 509 CO -0.33 0.19 -0.04 -0.92 -0.21 0.00 0.00 178.00 176.70 3m46 h TYR 510 N 0.30 0.03 -0.62 0.65 3.20 -1.64 -2.01 116.97 116.88 3m46 h TYR 510 Ca 0.56 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.51 3m46 h TYR 510 Cb 1.11 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.30 3m46 h TYR 510 CO -0.19 0.92 0.23 -0.07 -1.64 0.00 0.00 178.16 177.41 3m46 h LEU 511 N -0.87 0.22 -0.12 2.82 3.38 -0.74 0.10 115.31 120.10 3m46 h LEU 511 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3m46 h LEU 511 Cb 0.93 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3m46 h LEU 511 CO 0.01 0.13 0.06 0.22 0.09 0.00 0.00 178.44 178.95 3m46 h TYR 512 N 0.40 0.12 -0.94 1.13 3.20 0.59 -1.10 116.97 120.37 3m46 h TYR 512 Ca 0.31 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.21 3m46 h TYR 512 Cb 0.40 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 3m46 h TYR 512 CO -0.17 0.07 0.62 1.03 -1.64 0.00 0.00 178.16 178.07 3m46 h SER 513 N 0.14 1.05 0.48 -2.11 0.87 -0.83 0.36 113.55 113.49 3m46 h SER 513 Ca 0.05 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 3m46 h SER 513 Cb -0.00 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 3m46 h SER 513 CO -0.03 0.74 -0.40 -0.33 -0.53 0.00 0.00 176.83 176.28 3m46 h GLU 514 N 1.23 0.00 0.04 2.24 4.39 -0.18 0.16 114.58 122.46 3m46 h GLU 514 Ca 0.36 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.93 3m46 h GLU 514 Cb -0.07 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3m46 h GLU 514 CO -0.10 0.40 -0.54 -0.92 -1.16 0.00 0.00 179.01 176.70 3m46 h TYR 515 N 0.00 0.46 0.92 4.33 3.20 -0.04 -2.26 116.97 123.59 3m46 h TYR 515 Ca -0.00 -0.28 -0.04 0.00 3.14 0.00 0.00 58.73 61.54 3m46 h TYR 515 Cb 0.74 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.98 3m46 h TYR 515 CO 0.00 1.13 -0.47 0.52 -1.64 0.00 0.00 178.16 177.71 3m46 h MET 516 N -0.34 -1.22 -1.05 1.82 2.86 -0.82 0.33 114.93 116.50 3m46 h MET 516 Ca -0.08 0.08 0.27 0.00 -2.06 0.00 0.00 59.70 57.92 3m46 h MET 516 Cb 1.31 0.28 -0.10 0.00 0.06 0.00 0.00 31.60 33.15 3m46 h MET 516 CO 0.10 -0.82 0.67 0.87 1.06 0.00 0.00 176.91 178.79 3m46 h LYS 517 N -1.27 0.39 0.03 1.72 1.57 -1.07 -0.71 116.57 117.24 3m46 h LYS 517 Ca -0.13 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3m46 h LYS 517 Cb 0.98 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3m46 h LYS 517 CO 0.19 0.26 -0.02 0.00 -0.57 0.00 0.00 179.45 179.31 3m46 h ALA 518 N 1.64 -0.04 -0.76 3.86 0.00 -0.84 -2.59 119.26 120.51 3m46 h ALA 518 Ca 0.61 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3m46 h ALA 518 Cb 1.52 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 3m46 h ALA 518 CO -0.33 -0.22 0.50 0.00 0.00 0.00 0.00 179.25 179.20 3m46 h ALA 519 N 0.28 0.97 0.00 0.00 0.00 0.16 0.65 119.26 121.32 3m46 h ALA 519 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3m46 h ALA 519 Cb 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3m46 h ALA 519 CO 0.01 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.93 3m46 n LEU 520 N -4.55 0.82 -0.77 0.00 4.77 -0.32 -3.05 117.00 113.91 3m46 n LEU 520 Ca 0.07 0.60 0.07 0.00 -0.03 0.00 0.00 56.01 56.72 3m46 n LEU 520 Cb 0.02 -0.38 0.19 0.00 -2.33 0.00 0.00 43.42 40.92 3m46 n LEU 520 CO 0.36 -0.28 0.66 0.59 -1.33 0.00 0.00 177.39 177.39 3m46 n ASN 521 N -2.29 3.24 -3.99 -1.43 3.02 -0.81 -4.96 115.26 108.03 3m46 n ASN 521 Ca 0.05 -2.20 -0.30 0.00 -0.03 0.00 0.00 54.58 52.10 3m46 n ASN 521 Cb 0.39 -0.32 -0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3m46 n ASN 521 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3m46 n ASP 522 N 0.42 -2.70 -4.73 6.41 8.00 -0.78 -4.99 116.55 118.18 3m46 n ASP 522 Ca 0.15 -0.92 -0.28 0.00 0.71 0.00 0.00 54.79 54.45 3m46 n ASP 522 Cb 0.54 -3.34 -0.08 0.00 -0.02 0.00 0.00 41.12 38.23 3m46 n ASP 522 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3m46 s ASP 523 N -3.72 4.23 0.06 -2.24 -1.08 0.15 -4.70 116.67 109.38 3m46 s ASP 523 Ca 0.43 -1.33 -0.05 0.00 -0.52 0.00 0.00 52.55 51.08 3m46 s ASP 523 Cb -0.23 -0.09 -0.05 0.00 -1.46 0.00 0.00 42.92 41.10 3m46 s ASP 523 CO 0.87 -0.67 0.30 -0.04 0.52 0.00 0.00 175.17 176.16 3m46 s MET 524 N -3.89 3.58 -0.01 4.34 -1.94 -1.26 -4.46 119.30 115.66 3m46 s MET 524 Ca 0.29 -0.12 -0.00 0.00 -1.71 0.00 0.00 55.69 54.15 3m46 s MET 524 Cb 0.04 -3.00 -0.00 0.00 2.01 0.00 0.00 34.83 33.88 3m46 s MET 524 CO 0.16 0.58 0.08 -0.92 -0.01 0.00 0.00 175.02 174.91 3m46 h TYR 525 N 3.48 -0.01 -3.28 -0.03 3.20 -1.91 -3.43 116.97 114.99 3m46 h TYR 525 Ca -0.48 -0.00 -0.57 0.00 3.14 0.00 0.00 58.73 60.82 3m46 h TYR 525 Cb 1.18 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.41 3m46 h TYR 525 CO 0.65 -0.00 -0.02 -0.06 -1.64 0.00 0.00 178.16 177.09 3m46 s PHE 526 N -1.21 3.76 0.09 -3.82 0.08 -1.26 -2.39 117.98 113.22 3m46 s PHE 526 Ca -0.00 1.26 0.07 0.00 0.12 0.00 0.00 56.93 58.37 3m46 s PHE 526 Cb 0.00 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.86 3m46 s PHE 526 CO 0.00 0.49 -0.18 0.15 -0.10 0.00 0.00 175.22 175.58 3m46 s LYS 527 N -0.72 0.99 0.36 0.44 1.02 0.49 -4.51 119.74 117.82 3m46 s LYS 527 Ca 0.30 -1.06 -0.26 0.00 0.02 0.00 0.00 55.97 54.97 3m46 s LYS 527 Cb -0.19 -1.14 -0.09 0.00 -0.52 0.00 0.00 37.83 35.89 3m46 s LYS 527 CO 0.18 0.26 1.09 -2.14 -0.92 0.00 0.00 175.35 173.82 3m46 s PRO 528 N -1.81 4.29 0.43 -1.68 0.02 -1.26 -0.54 135.00 134.45 3m46 s PRO 528 Ca 0.03 1.66 0.29 0.00 0.02 0.00 0.00 61.00 62.99 3m46 s PRO 528 Cb -0.10 -2.76 1.39 0.00 0.02 0.00 0.00 34.50 33.05 3m46 s PRO 528 CO 0.03 -0.07 1.64 -0.07 -0.33 0.00 0.00 177.00 178.21 3m46 h LEU 529 N 2.93 0.26 -1.12 -5.54 4.07 -1.82 0.34 115.31 114.42 3m46 h LEU 529 Ca -0.48 0.13 0.07 0.00 0.08 0.00 0.00 57.88 57.68 3m46 h LEU 529 Cb 1.22 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 43.01 3m46 h LEU 529 CO 0.64 -0.15 0.60 1.23 -1.08 0.00 0.00 178.44 179.68 3m46 h GLY 530 N 0.12 1.36 1.70 0.83 0.00 -1.86 0.39 103.07 105.61 3m46 h GLY 530 Ca 0.79 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.58 3m46 h GLY 530 CO -0.40 0.31 -0.44 0.74 0.00 0.00 0.00 176.54 176.74 3m46 h PHE 531 N 1.05 0.39 0.02 5.60 -1.00 -0.69 -2.51 116.94 119.80 3m46 h PHE 531 Ca 0.40 -0.12 -0.30 0.00 2.81 0.00 0.00 57.97 60.76 3m46 h PHE 531 Cb 0.20 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 39.63 3m46 h PHE 531 CO -0.00 0.72 -1.74 0.28 -1.61 0.00 0.00 178.31 175.95 3m46 n VAL 532 N -4.00 1.64 -2.76 -0.55 0.31 -0.83 -4.49 118.33 107.65 3m46 n VAL 532 Ca -0.02 -0.78 -0.26 0.00 -0.01 0.00 0.00 64.34 63.28 3m46 n VAL 532 Cb 0.51 -1.14 -0.02 0.00 -0.91 0.00 0.00 33.84 32.28 3m46 n VAL 532 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3m46 n TYR 533 N -3.11 3.47 0.28 3.52 4.01 0.13 -4.96 117.16 120.49 3m46 n TYR 533 Ca -0.19 -3.59 0.08 0.00 -0.16 0.00 0.00 57.90 54.04 3m46 n TYR 533 Cb 1.05 -0.32 0.37 0.00 -0.31 0.00 0.00 39.34 40.13 3m46 n TYR 533 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3m46 n PRO 534 N -0.30 0.09 0.00 -0.72 -0.04 -0.95 -1.12 135.00 131.96 3m46 n PRO 534 Ca 0.33 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 64.33 3m46 n PRO 534 Cb 0.53 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 3m46 n PRO 534 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3m46 n ASP 535 N -1.91 1.55 -4.54 3.54 8.00 -1.26 -4.82 116.55 117.10 3m46 n ASP 535 Ca 0.01 -1.27 -0.43 0.00 0.71 0.00 0.00 54.79 53.81 3m46 n ASP 535 Cb 0.12 0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 41.81 3m46 n ASP 535 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3m46 s ASP 536 N -2.36 6.42 0.22 -2.24 -1.08 -0.27 -4.90 116.67 112.45 3m46 s ASP 536 Ca 0.13 -0.12 0.25 0.00 -0.52 0.00 0.00 52.55 52.30 3m46 s ASP 536 Cb 0.15 -2.43 0.88 0.00 -1.46 0.00 0.00 42.92 40.06 3m46 s ASP 536 CO 0.57 -1.07 1.76 0.29 0.52 0.00 0.00 175.17 177.24 3m46 n LYS 537 N 7.13 0.23 -0.02 4.34 4.76 -1.26 -1.98 118.16 131.35 3m46 n LYS 537 Ca 0.03 0.27 -0.11 0.00 -2.87 0.00 0.00 58.31 55.64 3m46 n LYS 537 Cb 0.48 -1.81 -0.09 0.00 -1.84 0.00 0.00 35.03 31.77 3m46 n LYS 537 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 3m46 h MET 538 N 0.00 -0.06 -0.82 1.97 4.05 -1.95 -3.38 114.93 114.74 3m46 h MET 538 Ca 0.00 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.57 3m46 h MET 538 Cb 0.61 0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 31.33 3m46 h MET 538 CO 0.00 0.56 0.39 0.00 0.23 0.00 0.00 176.91 178.10 3m46 h ALA 539 N -0.18 1.21 0.00 0.39 0.00 -1.74 -1.50 119.26 117.44 3m46 h ALA 539 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m46 h ALA 539 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3m46 h ALA 539 CO 0.01 -0.14 0.00 0.44 0.00 0.00 0.00 179.25 179.56 3m46 n ILE 540 N -4.92 0.58 0.45 0.00 -5.35 -0.84 -2.26 119.36 107.03 3m46 n ILE 540 Ca 0.16 0.15 0.06 0.00 -0.27 0.00 0.00 62.75 62.85 3m46 n ILE 540 Cb 0.43 -0.93 -0.07 0.00 -1.74 0.00 0.00 39.64 37.33 3m46 n ILE 540 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3m46 n ARG 541 N -1.26 2.45 -2.36 6.28 5.12 -0.57 -4.74 116.66 121.58 3m46 n ARG 541 Ca 0.07 -0.02 -0.42 0.00 -1.93 0.00 0.00 57.85 55.54 3m46 n ARG 541 Cb 0.10 -1.12 -0.03 0.00 -1.16 0.00 0.00 32.46 30.25 3m46 n ARG 541 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3m46 s VAL 542 N -2.30 4.09 0.00 1.55 1.01 -0.96 -4.88 120.40 118.91 3m46 s VAL 542 Ca 0.03 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.40 3m46 s VAL 542 Cb 0.09 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3m46 s VAL 542 CO 0.50 -0.05 0.10 -0.62 0.00 0.00 0.00 175.10 175.03 3m46 n GLU 543 N 5.86 4.65 -0.92 2.72 1.02 -1.26 -4.64 120.64 128.06 3m46 n GLU 543 Ca 0.13 -0.10 -0.08 0.00 -0.02 0.00 0.00 57.16 57.09 3m46 n GLU 543 Cb 0.45 -0.55 0.23 0.00 -0.02 0.00 0.00 31.44 31.54 3m46 n GLU 543 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3m46 n ASP 544 N -0.69 3.52 -3.87 1.62 5.75 -1.26 -4.55 116.55 117.08 3m46 n ASP 544 Ca 0.00 -3.51 -0.11 0.00 -0.01 0.00 0.00 54.79 51.16 3m46 n ASP 544 Cb 0.01 -0.70 -0.10 0.00 -1.03 0.00 0.00 41.12 39.30 3m46 n ASP 544 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3m46 s GLN 545 N -3.15 0.50 0.14 0.11 -0.21 -1.26 -4.58 119.66 111.22 3m46 s GLN 545 Ca 0.50 -0.41 0.05 0.00 0.02 0.00 0.00 55.36 55.52 3m46 s GLN 545 Cb 0.42 0.21 -0.04 0.00 1.00 0.00 0.00 33.01 34.60 3m46 s GLN 545 CO 0.07 -0.12 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.49 3m46 s LEU 546 N -1.44 2.48 -0.11 2.90 1.43 -0.65 -4.51 118.68 118.79 3m46 s LEU 546 Ca -0.14 -0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 51.98 3m46 s LEU 546 Cb -0.07 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 3m46 s LEU 546 CO 0.01 -0.24 0.09 -0.04 0.23 0.00 0.00 176.35 176.40 3m46 s MET 547 N -3.31 3.26 -0.07 1.70 -1.94 0.30 -0.87 119.30 118.37 3m46 s MET 547 Ca 0.14 -0.24 0.04 0.00 -1.71 0.00 0.00 55.69 53.92 3m46 s MET 547 Cb -0.01 -3.03 -0.00 0.00 2.01 0.00 0.00 34.83 33.80 3m46 s MET 547 CO 0.02 0.75 -0.20 -1.17 -0.01 0.00 0.00 175.02 174.41 3m46 s LEU 548 N -0.98 1.96 0.00 -0.03 0.20 -0.54 -0.37 118.68 118.92 3m46 s LEU 548 Ca 0.14 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.51 3m46 s LEU 548 Cb -0.12 -1.18 0.00 0.00 -0.43 0.00 0.00 46.19 44.46 3m46 s LEU 548 CO 0.03 0.16 0.00 0.61 -0.29 0.00 0.00 176.35 176.86 3m46 n GLY 549 N 3.33 1.58 1.07 7.98 0.00 -1.01 -2.58 105.19 115.57 3m46 n GLY 549 Ca -0.19 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.37 3m46 n GLY 549 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m46 n ASN 550 N -1.92 3.34 0.00 1.61 3.02 -1.26 -4.75 115.26 115.30 3m46 n ASN 550 Ca 0.00 -3.34 0.00 0.00 -0.03 0.00 0.00 54.58 51.21 3m46 n ASN 550 Cb 0.00 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 3m46 n ASN 550 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3m46 n GLU 551 N -0.78 1.14 -4.47 3.52 4.71 -1.17 -4.94 120.64 118.66 3m46 n GLU 551 Ca 0.28 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 57.20 3m46 n GLU 551 Cb 0.99 -0.66 -0.09 0.00 -1.01 0.00 0.00 31.44 30.67 3m46 n GLU 551 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 3m46 s ILE 552 N -1.33 0.72 -0.01 -3.67 -4.36 -1.06 -1.23 121.20 110.26 3m46 s ILE 552 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 3m46 s ILE 552 Cb 0.00 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.22 3m46 s ILE 552 CO 0.00 0.00 -0.01 -0.32 0.24 0.00 0.00 174.94 174.85 3m46 s MET 553 N -3.79 0.18 0.09 0.37 -2.45 0.01 -1.47 119.30 112.23 3m46 s MET 553 Ca 0.29 -0.03 0.06 0.00 -1.25 0.00 0.00 55.69 54.76 3m46 s MET 553 Cb 0.05 -0.22 -0.04 0.00 1.25 0.00 0.00 34.83 35.86 3m46 s MET 553 CO 0.15 -0.00 -0.04 0.96 1.05 0.00 0.00 175.02 177.14 3m46 s ILE 554 N 0.22 3.75 -0.45 10.11 -4.36 -0.05 -1.36 121.20 129.05 3m46 s ILE 554 Ca -0.02 -1.09 0.06 0.00 -0.26 0.00 0.00 60.65 59.34 3m46 s ILE 554 Cb -0.04 -2.77 0.22 0.00 1.25 0.00 0.00 42.46 41.12 3m46 s ILE 554 CO -0.01 0.13 0.64 0.00 0.24 0.00 0.00 174.94 175.94 3m46 n ALA 555 N 0.65 0.51 -1.45 2.27 0.00 -1.26 -1.64 120.51 119.60 3m46 n ALA 555 Ca -0.12 -2.29 -0.35 0.00 0.00 0.00 0.00 53.44 50.68 3m46 n ALA 555 Cb 0.52 -1.09 0.09 0.00 0.00 0.00 0.00 19.45 18.97 3m46 n ALA 555 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3m46 s PRO 556 N 0.00 2.26 -0.04 0.00 0.04 -1.26 -4.99 135.00 131.01 3m46 s PRO 556 Ca 0.33 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 3m46 s PRO 556 Cb 0.14 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 3m46 s PRO 556 CO -0.16 -1.76 0.87 0.08 0.04 0.00 0.00 177.00 176.07 3m46 s VAL 557 N -1.86 4.93 -0.05 -0.36 1.01 -1.26 -4.98 120.40 117.83 3m46 s VAL 557 Ca 0.76 1.81 0.07 0.00 0.00 0.00 0.00 61.98 64.62 3m46 s VAL 557 Cb -0.31 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 31.97 3m46 s VAL 557 CO 0.43 0.18 0.99 0.00 0.00 0.00 0.00 175.10 176.70 3m46 n TYR 558 N 4.00 0.00 -4.80 5.22 0.18 -1.26 -4.87 117.16 115.63 3m46 n TYR 558 Ca 0.03 -0.44 -0.33 0.00 1.88 0.00 0.00 57.90 59.04 3m46 n TYR 558 Cb 0.51 -0.08 -0.14 0.00 -0.38 0.00 0.00 39.34 39.25 3m46 n TYR 558 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3m46 s GLU 559 N -1.21 3.12 0.42 -3.48 0.41 -1.26 -4.70 118.70 111.99 3m46 s GLU 559 Ca 0.12 -0.68 -0.24 0.00 -0.41 0.00 0.00 54.97 53.75 3m46 s GLU 559 Cb 0.10 -2.56 -0.11 0.00 -1.78 0.00 0.00 34.13 29.79 3m46 s GLU 559 CO 0.01 0.34 0.99 0.94 -0.49 0.00 0.00 175.26 177.05 3m46 n GLN 560 N 3.14 1.31 -0.88 1.61 7.27 -1.26 -2.57 117.38 126.00 3m46 n GLN 560 Ca -0.18 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.36 3m46 n GLN 560 Cb 0.53 -2.01 0.00 0.00 2.41 0.00 0.00 30.24 31.17 3m46 n GLN 560 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3m46 n ASN 561 N 0.57 -2.47 -4.74 1.69 3.02 -1.26 -4.96 115.26 107.10 3m46 n ASN 561 Ca 0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.24 3m46 n ASN 561 Cb 0.39 -1.76 -0.05 0.00 -0.61 0.00 0.00 39.78 37.75 3m46 n ASN 561 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m46 s ALA 562 N -1.89 3.34 -2.17 5.41 0.00 -1.06 -4.93 121.76 120.46 3m46 s ALA 562 Ca 0.00 0.43 0.23 0.00 0.00 0.00 0.00 51.96 52.61 3m46 s ALA 562 Cb 0.00 -3.11 0.56 0.00 0.00 0.00 0.00 23.12 20.58 3m46 s ALA 562 CO 0.00 0.08 1.49 0.54 0.00 0.00 0.00 175.76 177.87 3m46 n ARG 563 N 2.49 2.65 -3.31 0.00 1.74 -1.26 -4.87 116.66 114.09 3m46 n ARG 563 Ca -0.01 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.54 3m46 n ARG 563 Cb 0.49 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3m46 n ARG 563 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m46 n GLY 564 N 1.60 -0.84 3.74 -0.13 0.00 -1.26 -1.75 105.19 106.55 3m46 n GLY 564 Ca 0.23 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 3m46 n GLY 564 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3m46 s ARG 565 N -0.63 1.83 0.22 1.61 1.70 -0.98 -4.92 118.95 117.78 3m46 s ARG 565 Ca 0.00 -1.23 -0.14 0.00 -0.47 0.00 0.00 55.73 53.89 3m46 s ARG 565 Cb 0.00 0.56 -0.08 0.00 -0.57 0.00 0.00 34.95 34.86 3m46 s ARG 565 CO 0.00 -0.82 0.61 0.71 -1.08 0.00 0.00 175.30 174.73 3m46 s TYR 566 N -3.52 3.51 0.02 5.89 2.02 -1.26 -2.11 117.35 121.90 3m46 s TYR 566 Ca 0.17 1.09 -0.00 0.00 -0.37 0.00 0.00 57.07 57.96 3m46 s TYR 566 Cb -0.04 -2.41 -0.02 0.00 -0.40 0.00 0.00 41.96 39.09 3m46 s TYR 566 CO 0.10 0.30 -0.03 0.14 -1.57 0.00 0.00 175.55 174.49 3m46 s VAL 567 N -1.68 0.12 -0.21 0.71 -7.23 0.18 -4.99 120.40 107.30 3m46 s VAL 567 Ca 0.45 -1.03 -0.02 0.00 -1.81 0.00 0.00 61.98 59.57 3m46 s VAL 567 Cb -0.13 -0.43 0.01 0.00 0.56 0.00 0.00 36.38 36.38 3m46 s VAL 567 CO 0.20 -0.57 -0.11 -0.47 -0.31 0.00 0.00 175.10 173.84 3m46 s TYR 568 N -1.80 2.91 -0.32 2.82 5.04 -1.26 -0.60 117.35 124.14 3m46 s TYR 568 Ca -0.13 -1.34 -0.15 0.00 -2.44 0.00 0.00 57.07 53.02 3m46 s TYR 568 Cb -0.08 -2.02 -0.02 0.00 0.35 0.00 0.00 41.96 40.19 3m46 s TYR 568 CO -0.02 -0.68 0.35 -0.51 -1.34 0.00 0.00 175.55 173.35 3m46 s LEU 569 N 1.37 4.32 0.08 6.97 1.43 -0.07 -4.94 118.68 127.85 3m46 s LEU 569 Ca 0.04 -0.11 0.25 0.00 -1.03 0.00 0.00 54.13 53.29 3m46 s LEU 569 Cb -0.14 -2.34 0.99 0.00 0.03 0.00 0.00 46.19 44.72 3m46 s LEU 569 CO -0.07 -0.29 1.78 -2.65 0.23 0.00 0.00 176.35 175.35 3m46 n PRO 570 N 5.35 0.09 -3.96 1.29 -0.02 -1.26 -1.91 135.00 134.57 3m46 n PRO 570 Ca -0.09 0.15 -0.10 0.00 -2.02 0.00 0.00 63.50 61.44 3m46 n PRO 570 Cb 0.50 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 3m46 n PRO 570 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3m46 s GLU 571 N -3.06 1.77 0.37 -0.52 -1.05 -1.26 -4.93 118.70 110.03 3m46 s GLU 571 Ca 0.11 -1.35 -0.28 0.00 -0.15 0.00 0.00 54.97 53.31 3m46 s GLU 571 Cb 0.14 0.51 -0.10 0.00 -0.44 0.00 0.00 34.13 34.25 3m46 s GLU 571 CO 0.48 -0.77 1.38 -2.00 0.95 0.00 0.00 175.26 175.31 3m46 s GLU 572 N -3.53 4.13 0.10 -4.83 2.12 -1.26 -4.05 118.70 111.38 3m46 s GLU 572 Ca 0.21 2.35 -0.09 0.00 0.36 0.00 0.00 54.97 57.80 3m46 s GLU 572 Cb -0.02 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.43 3m46 s GLU 572 CO 0.11 -0.43 0.22 -1.64 -0.54 0.00 0.00 175.26 172.98 3m46 s MET 573 N -2.05 0.88 -0.38 4.30 -1.94 -0.32 -1.80 119.30 118.00 3m46 s MET 573 Ca 0.53 -0.94 -0.20 0.00 -1.71 0.00 0.00 55.69 53.37 3m46 s MET 573 Cb -0.42 0.36 0.01 0.00 2.01 0.00 0.00 34.83 36.78 3m46 s MET 573 CO 0.56 -0.29 0.59 0.21 -0.01 0.00 0.00 175.02 176.08 3m46 s LYS 574 N -3.86 3.53 -0.44 2.03 2.20 -0.28 -0.02 119.74 122.90 3m46 s LYS 574 Ca 0.05 -0.16 -0.28 0.00 -0.36 0.00 0.00 55.97 55.22 3m46 s LYS 574 Cb 0.04 -3.85 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 3m46 s LYS 574 CO -0.11 -0.78 1.66 0.12 -0.36 0.00 0.00 175.35 175.88 3m46 s PHE 575 N 2.60 2.00 -0.03 4.03 5.36 0.29 -1.65 117.98 130.59 3m46 s PHE 575 Ca 0.21 0.65 -0.01 0.00 -0.96 0.00 0.00 56.93 56.82 3m46 s PHE 575 Cb -0.15 -4.21 -0.04 0.00 -0.34 0.00 0.00 43.02 38.29 3m46 s PHE 575 CO 0.15 -2.43 0.04 0.42 -1.46 0.00 0.00 175.22 171.94 3m46 s ILE 576 N 6.82 4.47 -0.02 3.12 -1.09 -0.05 -1.35 121.20 133.10 3m46 s ILE 576 Ca 0.69 -0.39 -0.02 0.00 -2.23 0.00 0.00 60.65 58.69 3m46 s ILE 576 Cb -0.16 -2.98 0.01 0.00 -1.58 0.00 0.00 42.46 37.74 3m46 s ILE 576 CO 0.30 0.44 0.06 -0.54 -1.23 0.00 0.00 174.94 173.97 3m46 s LYS 577 N -1.40 0.09 -0.31 2.79 1.02 -0.52 -1.29 119.74 120.12 3m46 s LYS 577 Ca 0.19 0.05 -0.17 0.00 0.02 0.00 0.00 55.97 56.06 3m46 s LYS 577 Cb -0.12 0.04 -0.02 0.00 -0.52 0.00 0.00 37.83 37.22 3m46 s LYS 577 CO 0.09 -0.01 0.46 -0.06 -0.92 0.00 0.00 175.35 174.91 3m46 s PHE 578 N -0.06 3.22 0.15 3.18 0.40 0.27 -1.66 117.98 123.50 3m46 s PHE 578 Ca -0.01 0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.64 3m46 s PHE 578 Cb -0.01 -2.75 -0.05 0.00 0.51 0.00 0.00 43.02 40.72 3m46 s PHE 578 CO 0.00 -0.38 0.35 -1.64 0.70 0.00 0.00 175.22 174.25 3m46 s MET 579 N 2.25 3.53 0.29 0.44 -1.94 -0.63 -2.12 119.30 121.11 3m46 s MET 579 Ca 0.18 -0.29 0.03 0.00 -1.71 0.00 0.00 55.69 53.89 3m46 s MET 579 Cb -0.16 -2.89 0.64 0.00 2.01 0.00 0.00 34.83 34.43 3m46 s MET 579 CO 0.11 0.47 1.79 -1.35 -0.01 0.00 0.00 175.02 176.02 3m46 h PRO 580 N 2.48 0.75 0.00 2.03 0.11 -1.88 -1.10 132.00 134.40 3m46 h PRO 580 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m46 h PRO 580 Cb 1.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3m46 h PRO 580 CO 0.71 0.50 0.00 -0.40 -0.21 0.00 0.00 178.00 178.60 3m46 n ASP 581 N -4.76 0.00 0.00 -2.05 5.68 -1.26 -4.71 116.55 109.45 3m46 n ASP 581 Ca 0.20 -0.42 0.00 0.00 -0.50 0.00 0.00 54.79 54.07 3m46 n ASP 581 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 3m46 n ASP 581 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m46 n GLY 582 N -0.32 0.46 3.94 6.12 0.00 -0.42 -5.05 105.19 109.93 3m46 n GLY 582 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3m46 n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m46 s SER 583 N -2.10 4.71 -0.29 1.61 1.04 -1.24 -4.87 113.70 112.56 3m46 s SER 583 Ca 0.00 0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.73 3m46 s SER 583 Cb 0.00 -0.91 0.09 0.00 0.10 0.00 0.00 66.02 65.30 3m46 s SER 583 CO 0.00 -1.64 0.07 -0.63 0.98 0.00 0.00 173.24 172.02 3m46 s ILE 584 N -3.22 1.01 0.32 -1.02 1.01 -1.26 -1.60 121.20 116.43 3m46 s ILE 584 Ca 0.61 -1.36 -0.28 0.00 0.00 0.00 0.00 60.65 59.63 3m46 s ILE 584 Cb -0.10 -1.69 -0.09 0.00 0.01 0.00 0.00 42.46 40.59 3m46 s ILE 584 CO 0.44 -0.56 1.06 -0.94 0.00 0.00 0.00 174.94 174.95 3m46 s SER 585 N 1.57 7.13 -0.04 3.58 1.04 -0.66 -4.86 113.70 121.47 3m46 s SER 585 Ca 0.07 2.15 -0.01 0.00 0.48 0.00 0.00 55.95 58.64 3m46 s SER 585 Cb -0.17 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.37 3m46 s SER 585 CO -0.20 -0.23 0.07 -0.70 0.98 0.00 0.00 173.24 173.16 3m46 s GLU 586 N -1.79 -0.01 -0.16 4.02 2.12 -1.26 -1.44 118.70 120.19 3m46 s GLU 586 Ca 0.49 0.27 -0.14 0.00 0.36 0.00 0.00 54.97 55.94 3m46 s GLU 586 Cb -0.28 -0.26 0.04 0.00 0.26 0.00 0.00 34.13 33.90 3m46 s GLU 586 CO 0.35 -0.19 0.42 -2.00 -0.54 0.00 0.00 175.26 173.30 3m46 s GLU 587 N 1.24 0.48 -0.08 4.30 2.12 -0.46 -4.98 118.70 121.31 3m46 s GLU 587 Ca -0.07 0.60 -0.20 0.00 0.36 0.00 0.00 54.97 55.66 3m46 s GLU 587 Cb -0.13 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.43 3m46 s GLU 587 CO -0.04 -0.07 0.55 0.08 -0.54 0.00 0.00 175.26 175.25 3m46 s VAL 588 N 0.35 5.11 -0.10 3.70 1.01 -1.26 0.11 120.40 129.31 3m46 s VAL 588 Ca -0.01 1.13 0.03 0.00 0.00 0.00 0.00 61.98 63.13 3m46 s VAL 588 Cb -0.04 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.46 3m46 s VAL 588 CO -0.01 0.32 -0.18 -0.76 0.00 0.00 0.00 175.10 174.47 3m46 s LEU 589 N 0.51 1.88 0.75 3.92 1.43 0.97 -4.93 118.68 123.21 3m46 s LEU 589 Ca 0.30 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 3m46 s LEU 589 Cb -0.16 -1.19 0.05 0.00 0.03 0.00 0.00 46.19 44.92 3m46 s LEU 589 CO 0.14 0.08 1.20 -1.83 0.23 0.00 0.00 176.35 176.16 3m46 s GLU 590 N 0.67 2.05 0.10 1.70 -1.05 -1.26 -1.17 118.70 119.75 3m46 s GLU 590 Ca -0.13 1.71 -0.35 0.00 -0.15 0.00 0.00 54.97 56.06 3m46 s GLU 590 Cb -0.16 -1.83 -0.14 0.00 -0.44 0.00 0.00 34.13 31.56 3m46 s GLU 590 CO 0.03 -1.89 1.58 1.17 0.95 0.00 0.00 175.26 177.10 3m46 n LYS 591 N -2.88 1.94 -1.86 -4.83 4.81 -1.26 -4.75 118.16 109.33 3m46 n LYS 591 Ca 0.13 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3m46 n LYS 591 Cb 0.50 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.10 3m46 n LYS 591 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m46 n GLY 592 N 3.39 0.11 3.72 3.14 0.00 -0.80 -4.99 105.19 109.75 3m46 n GLY 592 Ca 0.18 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 3m46 n GLY 592 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m46 s VAL 593 N -2.75 4.80 0.02 1.61 1.01 -1.26 -0.89 120.40 122.93 3m46 s VAL 593 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3m46 s VAL 593 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 3m46 s VAL 593 CO 0.00 0.56 -0.05 -1.00 0.00 0.00 0.00 175.10 174.61 3m46 s HIS 594 N -0.46 0.43 -0.15 5.22 3.76 0.23 -5.00 115.29 119.32 3m46 s HIS 594 Ca 0.10 -0.34 -0.07 0.00 -0.15 0.00 0.00 55.06 54.60 3m46 s HIS 594 Cb -0.12 -0.27 -0.04 0.00 1.11 0.00 0.00 32.58 33.26 3m46 s HIS 594 CO 0.02 -0.08 0.10 -0.47 -0.85 0.00 0.00 174.74 173.46 3m46 s TYR 595 N -0.90 3.40 -0.04 1.40 5.04 -1.26 -0.65 117.35 124.34 3m46 s TYR 595 Ca -0.07 0.31 0.03 0.00 -2.44 0.00 0.00 57.07 54.90 3m46 s TYR 595 Cb -0.07 -2.02 0.01 0.00 0.35 0.00 0.00 41.96 40.23 3m46 s TYR 595 CO -0.00 0.42 -0.12 0.14 -1.34 0.00 0.00 175.55 174.65 3m46 s VAL 596 N -0.26 1.05 -0.12 3.14 -7.23 -0.90 -4.99 120.40 111.09 3m46 s VAL 596 Ca 0.10 -0.48 -0.29 0.00 -1.81 0.00 0.00 61.98 59.49 3m46 s VAL 596 Cb -0.12 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.87 3m46 s VAL 596 CO 0.01 0.32 1.18 -1.81 -0.31 0.00 0.00 175.10 174.49 3m46 s ASP 597 N 0.34 7.04 -0.22 4.85 1.01 -1.26 -2.32 116.67 126.10 3m46 s ASP 597 Ca -0.07 1.68 -0.04 0.00 0.71 0.00 0.00 52.55 54.83 3m46 s ASP 597 Cb -0.12 -2.55 0.08 0.00 1.01 0.00 0.00 42.92 41.34 3m46 s ASP 597 CO 0.02 -0.65 0.09 -0.69 0.21 0.00 0.00 175.17 174.16 3m46 s VAL 598 N 2.79 0.12 0.82 -1.27 1.01 -0.72 -4.96 120.40 118.19 3m46 s VAL 598 Ca 0.53 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 3m46 s VAL 598 Cb -0.22 -0.88 0.08 0.00 0.00 0.00 0.00 36.38 35.37 3m46 s VAL 598 CO 0.17 -0.44 1.10 0.00 0.00 0.00 0.00 175.10 175.93 3m46 s ALA 599 N 2.03 2.09 0.26 5.51 0.00 -1.26 -4.04 121.76 126.35 3m46 s ALA 599 Ca 0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 3m46 s ALA 599 Cb -0.16 -3.12 0.43 0.00 0.00 0.00 0.00 23.12 20.26 3m46 s ALA 599 CO -0.19 -1.88 1.60 -0.07 0.00 0.00 0.00 175.76 175.22 3m46 h LEU 600 N -1.20 -0.65 -1.91 0.00 3.38 -1.95 -0.82 115.31 112.16 3m46 h LEU 600 Ca -0.48 0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3m46 h LEU 600 Cb 1.27 0.48 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3m46 h LEU 600 CO 0.58 -0.27 0.00 -0.46 0.09 0.00 0.00 178.44 178.38 3m46 n ASN 601 N -5.50 2.82 -4.70 -0.43 0.23 -1.26 -4.70 115.26 101.73 3m46 n ASN 601 Ca 0.14 -2.16 -0.33 0.00 -0.53 0.00 0.00 54.58 51.70 3m46 n ASN 601 Cb 0.48 -0.39 -0.09 0.00 -2.08 0.00 0.00 39.78 37.71 3m46 n ASN 601 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3m46 s GLU 602 N -1.58 2.88 -0.13 -3.83 2.02 -0.32 -4.21 118.70 113.54 3m46 s GLU 602 Ca 0.31 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.77 3m46 s GLU 602 Cb 0.18 -2.74 0.02 0.00 0.10 0.00 0.00 34.13 31.70 3m46 s GLU 602 CO 0.18 0.65 -0.15 0.08 0.02 0.00 0.00 175.26 176.04 3m46 s VAL 603 N -1.06 1.54 -0.07 2.63 1.01 -0.90 -4.78 120.40 118.76 3m46 s VAL 603 Ca 0.19 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3m46 s VAL 603 Cb -0.12 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3m46 s VAL 603 CO 0.09 0.45 -0.08 -2.16 0.00 0.00 0.00 175.10 173.40 3m46 s PRO 604 N 1.27 2.73 0.20 2.72 0.04 -1.26 0.98 135.00 141.67 3m46 s PRO 604 Ca -0.00 -0.58 -0.15 0.00 0.04 0.00 0.00 61.00 60.31 3m46 s PRO 604 Cb -0.14 -2.56 0.02 0.00 0.04 0.00 0.00 34.50 31.86 3m46 s PRO 604 CO -0.07 0.64 0.47 -0.48 0.04 0.00 0.00 177.00 177.60 3m46 s LEU 605 N -0.75 0.30 -0.08 -3.56 0.05 -0.42 -4.54 118.68 109.69 3m46 s LEU 605 Ca 0.12 -0.63 0.04 0.00 0.05 0.00 0.00 54.13 53.71 3m46 s LEU 605 Cb -0.11 1.89 -0.00 0.00 -2.05 0.00 0.00 46.19 45.92 3m46 s LEU 605 CO 0.01 -1.03 -0.22 -0.36 -0.55 0.00 0.00 176.35 174.20 3m46 s PHE 606 N -3.91 2.28 -0.14 3.48 0.08 -0.47 -0.88 117.98 118.42 3m46 s PHE 606 Ca 0.13 -0.83 -0.05 0.00 0.12 0.00 0.00 56.93 56.30 3m46 s PHE 606 Cb -0.00 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 3m46 s PHE 606 CO -0.01 -0.32 0.03 0.42 -0.10 0.00 0.00 175.22 175.25 3m46 s ILE 607 N 0.22 4.52 0.30 0.64 1.01 -0.66 -0.81 121.20 126.42 3m46 s ILE 607 Ca -0.13 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 3m46 s ILE 607 Cb -0.16 -2.98 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 3m46 s ILE 607 CO 0.06 0.52 1.12 -0.13 0.00 0.00 0.00 174.94 176.51 3m46 s ARG 608 N -0.12 4.53 -0.07 2.79 0.52 -0.36 -1.12 118.95 125.11 3m46 s ARG 608 Ca 0.05 1.82 -0.16 0.00 -0.52 0.00 0.00 55.73 56.92 3m46 s ARG 608 Cb -0.12 -3.08 -0.07 0.00 0.52 0.00 0.00 34.95 32.19 3m46 s ARG 608 CO 0.02 0.11 0.47 0.45 0.02 0.00 0.00 175.30 176.37 3m46 n SER 609 N 0.96 0.17 -1.59 0.23 2.88 -0.75 0.52 113.62 116.04 3m46 n SER 609 Ca -0.00 0.43 -0.20 0.00 -1.33 0.00 0.00 58.87 57.78 3m46 n SER 609 Cb 0.45 -0.33 -0.07 0.00 -0.75 0.00 0.00 64.21 63.50 3m46 n SER 609 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3m46 n GLY 610 N 0.92 1.59 3.61 0.46 0.00 -1.26 -4.99 105.19 105.51 3m46 n GLY 610 Ca 0.09 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 3m46 n GLY 610 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m46 s LYS 611 N -3.83 2.20 0.09 1.61 -0.14 0.18 -4.63 119.74 115.22 3m46 s LYS 611 Ca 0.00 -1.36 -0.03 0.00 -1.36 0.00 0.00 55.97 53.22 3m46 s LYS 611 Cb 0.00 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.96 3m46 s LYS 611 CO 0.00 0.39 0.06 0.00 -0.76 0.00 0.00 175.35 175.05 3m46 s ILE 613 N -3.95 0.19 0.42 0.00 -4.36 -0.36 -4.62 121.20 108.52 3m46 s ILE 613 Ca 0.13 -0.50 -0.16 0.00 -0.26 0.00 0.00 60.65 59.86 3m46 s ILE 613 Cb 0.07 -0.24 -0.09 0.00 1.25 0.00 0.00 42.46 43.45 3m46 s ILE 613 CO -0.06 -0.20 0.87 -2.16 0.24 0.00 0.00 174.94 173.63 3m46 s PRO 614 N -0.73 4.01 -0.12 0.37 0.04 -1.26 -1.40 135.00 135.91 3m46 s PRO 614 Ca -0.06 0.83 -0.04 0.00 0.04 0.00 0.00 61.00 61.77 3m46 s PRO 614 Cb -0.05 -2.27 0.05 0.00 0.04 0.00 0.00 34.50 32.26 3m46 s PRO 614 CO -0.00 -0.05 0.07 0.08 0.04 0.00 0.00 177.00 177.14 3m46 s VAL 615 N -2.28 -0.02 0.62 -0.36 1.01 0.04 -4.57 120.40 114.85 3m46 s VAL 615 Ca 0.57 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.46 3m46 s VAL 615 Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3m46 s VAL 615 CO 0.23 -0.08 1.03 0.00 0.00 0.00 0.00 175.10 176.27 3m46 s ALA 616 N 2.12 3.08 0.66 5.51 0.00 -0.58 -2.20 121.76 130.34 3m46 s ALA 616 Ca 0.03 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.74 3m46 s ALA 616 Cb -0.14 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3m46 s ALA 616 CO -0.07 -0.72 1.18 -1.21 0.00 0.00 0.00 175.76 174.95 3m46 s GLU 617 N -5.18 2.62 0.41 0.00 2.02 -1.26 -4.48 118.70 112.83 3m46 s GLU 617 Ca 0.55 1.68 -0.27 0.00 0.02 0.00 0.00 54.97 56.96 3m46 s GLU 617 Cb -0.11 -1.90 -0.10 0.00 0.10 0.00 0.00 34.13 32.12 3m46 s GLU 617 CO 0.54 -1.45 1.44 0.00 0.02 0.00 0.00 175.26 175.82 3m46 n ALA 618 N -2.22 2.13 -2.20 5.21 0.00 -1.26 -4.55 120.51 117.61 3m46 n ALA 618 Ca 0.13 0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 3m46 n ALA 618 Cb 0.50 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.46 3m46 n ALA 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m46 s ALA 619 N -1.15 0.85 -1.34 0.00 0.00 -1.26 -5.01 121.76 113.85 3m46 s ALA 619 Ca 0.57 -1.28 0.24 0.00 0.00 0.00 0.00 51.96 51.49 3m46 s ALA 619 Cb -0.47 0.18 0.29 0.00 0.00 0.00 0.00 23.12 23.11 3m46 s ALA 619 CO 0.61 -0.25 1.26 0.39 0.00 0.00 0.00 175.76 177.77 3m46 n GLU 620 N 0.09 0.39 -3.54 0.00 1.02 -1.26 -4.68 120.64 112.66 3m46 n GLU 620 Ca -0.13 -0.27 -0.12 0.00 -0.02 0.00 0.00 57.16 56.61 3m46 n GLU 620 Cb 0.60 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.49 3m46 n GLU 620 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m46 h VAL 622 N 2.39 1.24 -0.12 0.00 2.07 -1.91 -2.78 116.25 117.14 3m46 h VAL 622 Ca -0.33 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3m46 h VAL 622 Cb 1.26 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3m46 h VAL 622 CO 0.42 0.28 0.03 0.07 0.02 0.00 0.00 177.57 178.39 3m46 h LYS 623 N 1.11 0.17 -0.01 1.57 2.10 -1.98 -2.38 116.57 117.15 3m46 h LYS 623 Ca 0.27 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 3m46 h LYS 623 Cb 0.09 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 3m46 h LYS 623 CO -0.04 0.17 -0.04 -0.25 -2.00 0.00 0.00 179.45 177.29 3m46 n ASP 624 N -4.46 0.77 -4.67 7.07 8.00 -1.05 -4.88 116.55 117.32 3m46 n ASP 624 Ca -0.01 -1.09 -0.42 0.00 0.71 0.00 0.00 54.79 53.98 3m46 n ASP 624 Cb 0.13 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 3m46 n ASP 624 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3m46 s ILE 625 N -2.14 3.28 -0.97 0.53 1.01 -0.90 -4.89 121.20 117.13 3m46 s ILE 625 Ca 0.38 0.50 -0.24 0.00 0.00 0.00 0.00 60.65 61.30 3m46 s ILE 625 Cb 0.21 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.38 3m46 s ILE 625 CO 0.39 -0.03 1.57 -0.62 0.00 0.00 0.00 174.94 176.25 3m46 s ASP 626 N 3.19 6.12 0.00 3.58 2.15 -1.26 -4.78 116.67 125.67 3m46 s ASP 626 Ca 0.76 -1.16 0.30 0.00 0.43 0.00 0.00 52.55 52.88 3m46 s ASP 626 Cb -0.37 -2.57 1.47 0.00 -0.30 0.00 0.00 42.92 41.15 3m46 s ASP 626 CO 0.33 -1.86 2.00 0.35 -0.17 0.00 0.00 175.17 175.82 3m46 n THR 627 N 7.12 0.00 0.10 1.71 -2.24 -1.26 -4.18 114.28 115.53 3m46 n THR 627 Ca 0.33 -0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.91 3m46 n THR 627 Cb 0.50 -0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.30 3m46 n THR 627 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3m46 h GLU 628 N 0.31 0.33 -2.59 -0.78 4.57 -2.02 -3.39 114.58 111.00 3m46 h GLU 628 Ca 0.00 -0.50 -0.60 0.00 -1.18 0.00 0.00 59.36 57.08 3m46 h GLU 628 Cb 0.27 0.18 -0.39 0.00 -0.16 0.00 0.00 28.75 28.64 3m46 h GLU 628 CO 0.00 1.22 -0.84 0.27 -1.18 0.00 0.00 179.01 178.48 3m46 n ASN 629 N -3.60 0.76 -4.97 1.04 0.23 -1.26 -5.13 115.26 102.33 3m46 n ASN 629 Ca -0.09 -2.67 -0.20 0.00 -0.53 0.00 0.00 54.58 51.09 3m46 n ASN 629 Cb 0.99 -0.62 -0.01 0.00 -2.08 0.00 0.00 39.78 38.05 3m46 n ASN 629 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3m46 s MET 630 N -0.51 3.25 0.07 -3.83 -1.94 -1.26 -4.92 119.30 110.16 3m46 s MET 630 Ca 0.30 -0.91 -0.11 0.00 -1.71 0.00 0.00 55.69 53.27 3m46 s MET 630 Cb 0.02 -2.83 -0.06 0.00 2.01 0.00 0.00 34.83 33.97 3m46 s MET 630 CO -0.19 0.24 0.41 -1.14 -0.01 0.00 0.00 175.02 174.34 3m46 s GLN 631 N -4.07 3.80 -0.40 2.03 0.74 -0.94 -4.87 119.66 115.96 3m46 s GLN 631 Ca 0.39 0.23 -0.11 0.00 0.05 0.00 0.00 55.36 55.93 3m46 s GLN 631 Cb -0.09 -3.02 0.05 0.00 1.10 0.00 0.00 33.01 31.05 3m46 s GLN 631 CO 0.30 0.57 0.24 -0.51 -0.55 0.00 0.00 175.29 175.34 3m46 s LEU 632 N -1.79 4.96 0.02 3.68 1.43 -1.26 -0.78 118.68 124.93 3m46 s LEU 632 Ca 0.32 -1.23 -0.18 0.00 -1.03 0.00 0.00 54.13 52.01 3m46 s LEU 632 Cb -0.14 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.00 3m46 s LEU 632 CO 0.17 -0.47 0.51 -0.63 0.23 0.00 0.00 176.35 176.17 3m46 s ILE 633 N 1.51 4.90 0.00 -0.59 -1.09 -0.49 -4.90 121.20 120.54 3m46 s ILE 633 Ca 0.02 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.52 3m46 s ILE 633 Cb -0.21 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 3m46 s ILE 633 CO 0.05 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 3m46 n GLY 634 N 2.02 0.32 3.48 6.18 0.00 -1.26 -1.23 105.19 114.70 3m46 n GLY 634 Ca -0.11 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 3m46 n GLY 634 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m46 s TYR 635 N -2.87 3.08 0.21 1.61 2.02 -0.61 -4.98 117.35 115.81 3m46 s TYR 635 Ca 0.00 -0.35 -0.32 0.00 -0.37 0.00 0.00 57.07 56.03 3m46 s TYR 635 Cb 0.00 -2.11 -0.13 0.00 -0.40 0.00 0.00 41.96 39.32 3m46 s TYR 635 CO 0.00 -0.19 1.52 0.39 -1.57 0.00 0.00 175.55 175.71 3m46 n GLU 636 N 4.23 2.21 0.00 -0.62 1.02 -1.26 -1.73 120.64 124.50 3m46 n GLU 636 Ca -0.17 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 3m46 n GLU 636 Cb 0.52 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 3m46 n GLU 636 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m46 n GLY 637 N 2.82 2.39 3.82 0.62 0.00 -0.72 -5.02 105.19 109.09 3m46 n GLY 637 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3m46 n GLY 637 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m46 s SER 638 N -0.09 6.31 0.14 1.61 1.04 -0.70 -4.69 113.70 117.32 3m46 s SER 638 Ca 0.00 1.73 0.07 0.00 0.48 0.00 0.00 55.95 58.24 3m46 s SER 638 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 3m46 s SER 638 CO 0.00 -0.80 -0.06 -0.44 0.98 0.00 0.00 173.24 172.92 3m46 s SER 639 N -2.68 4.57 -0.02 7.02 0.01 -1.26 -1.67 113.70 119.65 3m46 s SER 639 Ca 0.62 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.50 3m46 s SER 639 Cb -0.13 -0.92 0.01 0.00 0.21 0.00 0.00 66.02 65.19 3m46 s SER 639 CO 0.29 0.14 -0.05 -0.47 0.41 0.00 0.00 173.24 173.56 3m46 s TYR 640 N -1.47 0.64 -0.39 2.43 5.04 -0.41 -4.48 117.35 118.71 3m46 s TYR 640 Ca 0.24 -0.14 -0.22 0.00 -2.44 0.00 0.00 57.07 54.51 3m46 s TYR 640 Cb -0.10 -0.50 0.01 0.00 0.35 0.00 0.00 41.96 41.72 3m46 s TYR 640 CO 0.16 -0.10 0.71 0.99 -1.34 0.00 0.00 175.55 175.98 3m46 s THR 641 N 0.38 4.78 -0.26 4.34 2.01 -1.26 -0.94 115.64 124.70 3m46 s THR 641 Ca -0.05 0.57 -0.20 0.00 0.31 0.00 0.00 61.69 62.32 3m46 s THR 641 Cb -0.09 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 3m46 s THR 641 CO -0.00 -0.48 0.62 -0.22 -0.69 0.00 0.00 174.62 173.85 3m46 s LEU 642 N 2.97 4.07 -0.09 4.42 2.96 0.17 -4.89 118.68 128.28 3m46 s LEU 642 Ca 0.27 0.67 -0.23 0.00 -0.22 0.00 0.00 54.13 54.62 3m46 s LEU 642 Cb -0.13 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 3m46 s LEU 642 CO 0.18 -0.38 0.68 -0.47 -1.32 0.00 0.00 176.35 175.04 3m46 s TYR 643 N 2.50 3.54 -0.15 5.38 5.04 -1.26 -0.79 117.35 131.62 3m46 s TYR 643 Ca 0.26 1.18 -0.15 0.00 -2.44 0.00 0.00 57.07 55.92 3m46 s TYR 643 Cb -0.15 -2.79 0.04 0.00 0.35 0.00 0.00 41.96 39.40 3m46 s TYR 643 CO 0.09 0.05 0.41 -1.83 -1.34 0.00 0.00 175.55 172.93 3m46 s GLU 644 N 0.99 0.50 0.00 4.97 -1.05 -0.02 -4.28 118.70 119.81 3m46 s GLU 644 Ca 0.35 0.53 0.00 0.00 -0.15 0.00 0.00 54.97 55.70 3m46 s GLU 644 Cb -0.17 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 3m46 s GLU 644 CO 0.16 -0.07 0.00 -0.40 0.95 0.00 0.00 175.26 175.90 3m46 n ASP 645 N 2.74 0.19 -0.21 0.83 5.68 -1.26 -4.52 116.55 120.00 3m46 n ASP 645 Ca -0.14 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.29 3m46 n ASP 645 Cb 0.57 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.13 3m46 n ASP 645 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3m46 n ASP 646 N 0.00 0.75 0.00 -1.12 5.75 -1.26 -4.92 116.55 115.75 3m46 n ASP 646 Ca 0.00 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 3m46 n ASP 646 Cb 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3m46 n ASP 646 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m46 n GLY 647 N 1.24 0.36 0.21 6.12 0.00 -1.26 -4.75 105.19 107.11 3m46 n GLY 647 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 3m46 n GLY 647 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3m46 n ILE 648 N -2.01 0.24 -4.43 -0.61 5.41 -1.26 -0.95 119.36 115.75 3m46 n ILE 648 Ca 0.00 -0.08 -0.26 0.00 1.00 0.00 0.00 62.75 63.41 3m46 n ILE 648 Cb 0.01 -0.85 -0.04 0.00 -0.71 0.00 0.00 39.64 38.05 3m46 n ILE 648 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3m46 n HIS 649 N -2.75 0.55 -1.34 1.39 8.25 -1.26 -1.43 115.22 118.62 3m46 n HIS 649 Ca -0.08 -2.05 -0.27 0.00 -0.26 0.00 0.00 57.72 55.07 3m46 n HIS 649 Cb 0.57 -0.30 0.13 0.00 1.12 0.00 0.00 29.99 31.51 3m46 n HIS 649 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3m46 n LYS 650 N -1.19 2.48 -2.40 -0.41 5.02 -0.92 -4.81 118.16 115.94 3m46 n LYS 650 Ca -0.14 -3.22 -0.43 0.00 -2.02 0.00 0.00 58.31 52.51 3m46 n LYS 650 Cb 0.53 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 3m46 n LYS 650 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3m46 n ASP 651 N -1.02 5.17 0.01 4.39 2.03 -1.26 -4.75 116.55 121.11 3m46 n ASP 651 Ca 0.58 -3.12 -0.22 0.00 0.52 0.00 0.00 54.79 52.55 3m46 n ASP 651 Cb 1.13 -1.47 -0.14 0.00 -0.72 0.00 0.00 41.12 39.92 3m46 n ASP 651 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3m46 h TYR 652 N 5.78 0.46 -0.82 -0.67 0.05 -2.03 -3.40 116.97 116.34 3m46 h TYR 652 Ca 0.38 -0.34 -0.72 0.00 0.05 0.00 0.00 58.73 58.10 3m46 h TYR 652 Cb 0.64 -0.02 -0.08 0.00 1.01 0.00 0.00 36.73 38.28 3m46 h TYR 652 CO 1.23 1.57 2.81 -0.40 -1.05 0.00 0.00 178.16 182.32 3m46 n ASP 653 N -3.89 8.00 -4.38 3.88 5.75 -1.26 -4.91 116.55 119.73 3m46 n ASP 653 Ca -0.25 -2.98 -0.33 0.00 -0.01 0.00 0.00 54.79 51.22 3m46 n ASP 653 Cb 0.91 -1.43 -0.14 0.00 -1.03 0.00 0.00 41.12 39.43 3m46 n ASP 653 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3m46 s LYS 654 N -0.06 3.20 0.41 0.11 1.02 -1.26 -4.98 119.74 118.18 3m46 s LYS 654 Ca 0.58 -0.70 0.18 0.00 0.02 0.00 0.00 55.97 56.04 3m46 s LYS 654 Cb 0.18 -2.56 1.08 0.00 -0.52 0.00 0.00 37.83 36.01 3m46 s LYS 654 CO -0.08 0.29 1.83 1.57 -0.92 0.00 0.00 175.35 178.04 3m46 h LYS 655 N 6.44 0.40 -0.04 1.68 5.09 -1.96 -1.64 116.57 126.55 3m46 h LYS 655 Ca -0.29 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.42 3m46 h LYS 655 Cb 1.20 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.44 3m46 h LYS 655 CO 0.54 0.27 0.00 -0.85 -2.09 0.00 0.00 179.45 177.32 3m46 n GLU 656 N -4.54 1.21 0.00 0.07 0.00 -1.26 -2.18 120.64 113.95 3m46 n GLU 656 Ca 0.21 -0.32 0.14 0.00 0.00 0.00 0.00 57.16 57.19 3m46 n GLU 656 Cb 0.74 -1.36 0.61 0.00 0.00 0.00 0.00 31.44 31.43 3m46 n GLU 656 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3m46 n ASN 657 N -0.50 0.28 -4.37 -1.84 3.02 -0.62 -4.84 115.26 106.39 3m46 n ASN 657 Ca 0.16 -0.24 -0.32 0.00 -0.03 0.00 0.00 54.58 54.16 3m46 n ASN 657 Cb 0.15 -0.17 -0.15 0.00 -0.61 0.00 0.00 39.78 39.01 3m46 n ASN 657 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3m46 s TYR 658 N -2.66 2.49 -0.01 3.10 2.02 -0.93 -0.84 117.35 120.52 3m46 s TYR 658 Ca 0.24 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.56 3m46 s TYR 658 Cb 0.20 -1.57 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 3m46 s TYR 658 CO 0.51 0.02 0.02 0.50 -1.57 0.00 0.00 175.55 175.02 3m46 s ARG 659 N -0.58 0.01 -0.22 -0.62 3.52 0.03 -4.98 118.95 116.12 3m46 s ARG 659 Ca 0.09 0.05 -0.13 0.00 -0.13 0.00 0.00 55.73 55.61 3m46 s ARG 659 Cb -0.11 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.20 3m46 s ARG 659 CO 0.00 -0.03 0.29 0.08 -0.81 0.00 0.00 175.30 174.83 3m46 s VAL 660 N 0.20 5.27 0.06 7.11 1.01 -1.26 0.43 120.40 133.21 3m46 s VAL 660 Ca -0.02 0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.49 3m46 s VAL 660 Cb -0.02 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3m46 s VAL 660 CO -0.01 0.30 -0.09 -0.76 0.00 0.00 0.00 175.10 174.55 3m46 s LEU 661 N 1.17 3.09 -0.00 3.92 1.43 -0.11 -4.97 118.68 123.20 3m46 s LEU 661 Ca 0.14 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3m46 s LEU 661 Cb -0.14 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3m46 s LEU 661 CO 0.06 0.23 -0.00 0.42 0.23 0.00 0.00 176.35 177.29 3m46 s THR 662 N -1.10 0.01 -2.75 5.49 -4.23 -1.26 -1.29 115.64 110.51 3m46 s THR 662 Ca 0.19 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.97 3m46 s THR 662 Cb -0.11 -0.02 0.37 0.00 1.34 0.00 0.00 72.50 74.08 3m46 s THR 662 CO 0.11 0.01 1.50 1.17 -0.54 0.00 0.00 174.62 176.87