#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 1.46 -4.00 0.00 0.00 -1.26 -4.93 117.12 108.40 3m46 n MET 1 Ca 0.00 -1.51 -0.24 0.00 0.00 0.00 0.00 57.70 55.95 3m46 n MET 1 Cb 0.00 -1.34 -0.17 0.00 0.00 0.00 0.00 33.22 31.71 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 -1.50 0.74 0.15 2.02 1.01 -1.26 -1.51 121.20 120.84 3m46 s ILE 2 Ca 0.20 -0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.80 3m46 s ILE 2 Cb 0.15 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 3m46 s ILE 2 CO 0.23 0.30 -0.24 -0.13 0.00 0.00 0.00 174.94 175.11 3m46 s ARG 3 N 1.50 1.36 -0.19 2.79 0.52 0.09 -4.95 118.95 120.07 3m46 s ARG 3 Ca -0.01 -1.37 -0.01 0.00 -0.52 0.00 0.00 55.73 53.83 3m46 s ARG 3 Cb -0.13 -1.70 0.01 0.00 0.52 0.00 0.00 34.95 33.65 3m46 s ARG 3 CO -0.04 0.39 -0.14 0.21 0.02 0.00 0.00 175.30 175.73 3m46 s LYS 4 N -2.29 3.13 -0.33 3.54 2.20 -1.26 -0.48 119.74 124.25 3m46 s LYS 4 Ca 0.14 -0.76 -0.05 0.00 -0.36 0.00 0.00 55.97 54.94 3m46 s LYS 4 Cb -0.09 -2.72 0.04 0.00 -1.51 0.00 0.00 37.83 33.55 3m46 s LYS 4 CO 0.07 -0.20 0.08 0.71 -0.36 0.00 0.00 175.35 175.65 3m46 s TYR 5 N 1.34 3.26 -0.14 4.03 2.02 0.94 -0.23 117.35 128.57 3m46 s TYR 5 Ca 0.05 -1.53 -0.09 0.00 -0.37 0.00 0.00 57.07 55.13 3m46 s TYR 5 Cb -0.14 -2.25 -0.04 0.00 -0.40 0.00 0.00 41.96 39.13 3m46 s TYR 5 CO -0.09 -0.75 0.17 0.50 -1.57 0.00 0.00 175.55 173.81 3m46 s ARG 6 N 1.37 3.75 -0.04 -0.62 3.52 -1.26 -0.10 118.95 125.57 3m46 s ARG 6 Ca -0.02 -0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.52 3m46 s ARG 6 Cb -0.20 -3.27 -0.00 0.00 -1.56 0.00 0.00 34.95 29.92 3m46 s ARG 6 CO 0.02 0.60 -0.16 0.71 -0.81 0.00 0.00 175.30 175.66 3m46 s TYR 7 N -0.54 1.57 0.00 5.12 2.02 -0.63 -5.03 117.35 119.87 3m46 s TYR 7 Ca 0.14 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 3m46 s TYR 7 Cb -0.12 -1.07 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 3m46 s TYR 7 CO 0.03 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.27 3m46 n GLY 8 N 3.18 2.25 2.88 0.71 0.00 -1.10 -1.80 105.19 111.31 3m46 n GLY 8 Ca -0.18 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 3m46 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m46 s ALA 9 N -1.91 3.64 0.15 4.61 0.00 -1.26 -4.83 121.76 122.16 3m46 s ALA 9 Ca 0.00 -3.71 -0.31 0.00 0.00 0.00 0.00 51.96 47.94 3m46 s ALA 9 Cb 0.00 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 20.90 3m46 s ALA 9 CO 0.00 -2.08 1.34 -1.25 0.00 0.00 0.00 175.76 173.76 3m46 s PRO 10 N -1.26 4.36 0.21 0.00 0.04 -1.26 -4.82 135.00 132.27 3m46 s PRO 10 Ca 0.24 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 63.01 3m46 s PRO 10 Cb -0.06 -3.23 -0.13 0.00 0.04 0.00 0.00 34.50 31.12 3m46 s PRO 10 CO -0.15 -0.33 1.59 0.34 0.04 0.00 0.00 177.00 178.49 3m46 n PHE 11 N 3.28 2.48 -2.21 0.56 7.35 -1.26 -4.93 117.46 122.73 3m46 n PHE 11 Ca 0.09 0.23 -0.42 0.00 -0.76 0.00 0.00 57.45 56.59 3m46 n PHE 11 Cb 0.43 -2.57 -0.03 0.00 0.35 0.00 0.00 39.48 37.66 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 0.80 5.95 0.37 -2.13 3.68 -1.26 -4.87 116.67 119.20 3m46 s ASP 12 Ca 0.73 0.71 0.23 0.00 2.13 0.00 0.00 52.55 56.35 3m46 s ASP 12 Cb -0.60 -2.54 0.26 0.00 -1.45 0.00 0.00 42.92 38.59 3m46 s ASP 12 CO 0.40 -1.77 1.45 0.71 0.13 0.00 0.00 175.17 176.10 3m46 h THR 13 N 6.62 0.00 -2.41 1.71 1.35 -1.94 -3.48 112.91 114.76 3m46 h THR 13 Ca -0.29 -0.98 -0.42 0.00 -0.55 0.00 0.00 66.41 64.17 3m46 h THR 13 Cb 1.13 1.84 -0.06 0.00 -1.73 0.00 0.00 68.15 69.32 3m46 h THR 13 CO 1.12 0.00 -0.49 -0.62 -0.25 0.00 0.00 175.52 175.28 3m46 n GLU 14 N -2.95 -1.61 -0.20 4.72 1.02 -1.26 -4.91 120.64 115.45 3m46 n GLU 14 Ca 0.03 1.08 0.12 0.00 -0.02 0.00 0.00 57.16 58.37 3m46 n GLU 14 Cb 0.53 -5.66 0.42 0.00 -0.02 0.00 0.00 31.44 26.72 3m46 n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m46 h ALA 15 N 0.71 1.92 -3.02 0.62 0.00 -1.93 -3.43 119.26 114.12 3m46 h ALA 15 Ca -0.48 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.76 3m46 h ALA 15 Cb 1.37 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 3m46 h ALA 15 CO 0.60 -0.11 -0.56 -0.51 0.00 0.00 0.00 179.25 178.67 3m46 s LEU 16 N -9.60 3.93 0.00 0.00 1.02 -1.26 -4.29 118.68 108.48 3m46 s LEU 16 Ca -0.09 0.29 0.22 0.00 0.02 0.00 0.00 54.13 54.57 3m46 s LEU 16 Cb 0.21 -1.93 0.01 0.00 0.02 0.00 0.00 46.19 44.50 3m46 s LEU 16 CO 0.77 0.39 1.07 0.35 0.02 0.00 0.00 176.35 178.96 3m46 n THR 17 N 2.06 0.00 -3.32 5.49 -2.24 0.87 -4.88 114.28 112.26 3m46 n THR 17 Ca -0.19 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.20 3m46 n THR 17 Cb 0.54 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 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 -2.98 4.17 -0.19 -0.78 2.56 -1.04 -5.01 118.70 115.42 3m46 s GLU 18 Ca 0.09 0.63 -0.14 0.00 0.00 0.00 0.00 54.97 55.55 3m46 s GLU 18 Cb 0.17 -3.27 -0.04 0.00 2.00 0.00 0.00 34.13 32.98 3m46 s GLU 18 CO 0.81 0.55 0.32 0.21 -0.56 0.00 0.00 175.26 176.59 3m46 s LYS 19 N -0.75 4.18 -0.05 4.30 2.47 -1.26 -5.06 119.74 123.58 3m46 s LYS 19 Ca 0.28 0.08 0.03 0.00 -1.56 0.00 0.00 55.97 54.79 3m46 s LYS 19 Cb -0.18 -3.50 0.01 0.00 -1.46 0.00 0.00 37.83 32.70 3m46 s LYS 19 CO 0.16 0.07 -0.11 -1.50 0.16 0.00 0.00 175.35 174.13 3m46 s ILE 20 N 0.98 1.02 0.49 5.43 1.10 -1.26 -5.13 121.20 123.85 3m46 s ILE 20 Ca 0.16 -0.45 -0.24 0.00 -0.51 0.00 0.00 60.65 59.61 3m46 s ILE 20 Cb -0.14 -0.92 -0.07 0.00 0.15 0.00 0.00 42.46 41.48 3m46 s ILE 20 CO 0.06 0.32 1.37 -0.70 -2.11 0.00 0.00 174.94 173.88 3m46 s GLU 21 N 0.40 3.45 -0.06 3.50 2.12 -1.26 -4.86 118.70 122.00 3m46 s GLU 21 Ca -0.08 2.28 -0.34 0.00 0.36 0.00 0.00 54.97 57.19 3m46 s GLU 21 Cb -0.12 -2.46 -0.12 0.00 0.26 0.00 0.00 34.13 31.69 3m46 s GLU 21 CO 0.02 -0.96 1.88 2.41 -0.54 0.00 0.00 175.26 178.07 3m46 n THR 22 N -0.58 0.57 -2.14 -1.70 -1.04 -1.26 -4.17 114.28 103.96 3m46 n THR 22 Ca 0.08 -0.10 -0.35 0.00 -2.04 0.00 0.00 64.05 61.64 3m46 n THR 22 Cb 0.44 -1.91 0.01 0.00 -1.82 0.00 0.00 70.33 67.05 3m46 n THR 22 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3m46 s ALA 23 N 3.94 2.63 -0.25 2.41 0.00 0.68 -4.97 121.76 126.21 3m46 s ALA 23 Ca 0.91 0.80 0.05 0.00 0.00 0.00 0.00 51.96 53.73 3m46 s ALA 23 Cb -0.66 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.04 3m46 s ALA 23 CO 0.50 -0.92 0.23 0.39 0.00 0.00 0.00 175.76 175.96 3m46 n GLU 24 N -1.54 5.19 -1.67 0.00 -0.58 -1.26 -4.80 120.64 115.98 3m46 n GLU 24 Ca 0.12 -0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.61 3m46 n GLU 24 Cb 0.51 -0.76 0.17 0.00 -0.57 0.00 0.00 31.44 30.79 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 -1.13 -1.00 -2.25 3.49 0.00 -1.26 -5.06 120.64 113.44 3m46 n GLU 25 Ca 0.01 -1.79 -0.32 0.00 0.00 0.00 0.00 57.16 55.06 3m46 n GLU 25 Cb 0.08 -1.10 -0.02 0.00 0.00 0.00 0.00 31.44 30.40 3m46 n GLU 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3m46 s ALA 26 N -3.90 3.08 0.23 -1.84 0.00 -1.26 -4.97 121.76 113.10 3m46 s ALA 26 Ca 0.63 0.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.38 3m46 s ALA 26 Cb -0.02 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 3m46 s ALA 26 CO 0.44 -0.37 1.64 0.12 0.00 0.00 0.00 175.76 177.60 3m46 s PHE 27 N -2.78 2.89 -1.06 0.00 5.36 -1.26 -4.90 117.98 116.22 3m46 s PHE 27 Ca 0.58 0.56 0.28 0.00 -0.96 0.00 0.00 56.93 57.38 3m46 s PHE 27 Cb -0.10 -4.07 1.01 0.00 -0.34 0.00 0.00 43.02 39.53 3m46 s PHE 27 CO 0.38 -3.86 1.77 -0.35 -1.46 0.00 0.00 175.22 171.69 3m46 n PRO 28 N 3.36 0.07 -3.88 10.12 -0.04 -1.26 -4.81 135.00 138.56 3m46 n PRO 28 Ca 0.13 -0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 3m46 n PRO 28 Cb 0.37 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.21 3m46 n PRO 28 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3m46 s TYR 29 N -2.95 0.01 0.06 0.54 2.02 -1.26 -5.13 117.35 110.64 3m46 s TYR 29 Ca 0.15 -0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 3m46 s TYR 29 Cb 0.19 -0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.71 3m46 s TYR 29 CO 0.58 -0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.84 3m46 n GLY 30 N 2.38 -1.13 3.52 0.71 0.00 -1.26 -4.79 105.19 104.61 3m46 n GLY 30 Ca -0.17 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.43 3.74 -0.14 1.61 2.02 -0.06 -4.94 118.70 120.50 3m46 s GLU 31 Ca 0.00 -0.46 -0.18 0.00 0.02 0.00 0.00 54.97 54.35 3m46 s GLU 31 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 3m46 s GLU 31 CO 0.00 0.13 0.47 0.42 0.02 0.00 0.00 175.26 176.29 3m46 s ILE 32 N 0.72 5.18 -0.12 -1.63 -1.09 -1.26 -2.03 121.20 120.97 3m46 s ILE 32 Ca 0.01 0.91 0.02 0.00 -2.23 0.00 0.00 60.65 59.36 3m46 s ILE 32 Cb -0.14 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 36.95 3m46 s ILE 32 CO 0.02 0.30 -0.19 -0.55 -1.23 0.00 0.00 174.94 173.29 3m46 s SER 33 N 0.74 2.79 -0.16 3.58 0.15 -0.42 -4.99 113.70 115.39 3m46 s SER 33 Ca 0.24 -0.52 0.16 0.00 0.70 0.00 0.00 55.95 56.54 3m46 s SER 33 Cb -0.15 -1.28 0.71 0.00 -1.71 0.00 0.00 66.02 63.59 3m46 s SER 33 CO 0.09 0.07 1.62 0.00 1.20 0.00 0.00 173.24 176.23 3m46 n GLN 34 N 4.01 4.00 0.00 5.44 6.02 -1.26 -0.60 117.38 134.98 3m46 n GLN 34 Ca -0.20 -2.94 0.00 0.00 -0.01 0.00 0.00 57.00 53.85 3m46 n GLN 34 Cb 0.52 -1.99 0.00 0.00 1.02 0.00 0.00 30.24 29.79 3m46 n GLN 34 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3m46 n LYS 35 N 0.66 0.00 0.00 -1.09 4.81 -1.26 -3.41 118.16 117.87 3m46 n LYS 35 Ca 0.25 0.67 0.16 0.00 -0.87 0.00 0.00 58.31 58.52 3m46 n LYS 35 Cb 0.98 -1.47 0.86 0.00 0.02 0.00 0.00 35.03 35.41 3m46 n LYS 35 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3m46 n GLU 36 N -2.31 1.05 0.00 1.64 -0.58 -1.26 -4.92 120.64 114.26 3m46 n GLU 36 Ca 0.00 -0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 3m46 n GLU 36 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 3m46 n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m46 n GLY 37 N 1.06 0.54 2.95 0.62 0.00 -1.22 -4.87 105.19 104.26 3m46 n GLY 37 Ca 0.22 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.10 -0.07 1.61 5.36 -0.39 -3.95 117.98 120.44 3m46 s PHE 38 Ca 0.00 0.28 -0.07 0.00 -0.96 0.00 0.00 56.93 56.18 3m46 s PHE 38 Cb 0.00 -0.00 0.02 0.00 -0.34 0.00 0.00 43.02 42.69 3m46 s PHE 38 CO 0.00 -0.07 0.20 0.00 -1.46 0.00 0.00 175.22 173.89 3m46 s ALA 39 N 0.32 -0.50 -0.10 11.12 0.00 0.23 -1.14 121.76 131.69 3m46 s ALA 39 Ca -0.02 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.46 3m46 s ALA 39 Cb -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.82 3m46 s ALA 39 CO -0.01 -0.12 -0.22 0.12 0.00 0.00 0.00 175.76 175.53 3m46 s PHE 40 N -0.12 2.42 -0.09 0.00 5.36 0.13 -1.30 117.98 124.37 3m46 s PHE 40 Ca -0.02 -1.03 -0.01 0.00 -0.96 0.00 0.00 56.93 54.91 3m46 s PHE 40 Cb -0.02 -1.64 0.03 0.00 -0.34 0.00 0.00 43.02 41.04 3m46 s PHE 40 CO 0.01 -0.44 -0.04 0.99 -1.46 0.00 0.00 175.22 174.28 3m46 s THR 41 N 0.49 0.70 -0.03 0.12 2.01 -0.86 -0.98 115.64 117.09 3m46 s THR 41 Ca -0.16 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.76 3m46 s THR 41 Cb -0.17 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.58 3m46 s THR 41 CO 0.06 0.31 -0.00 -0.47 -0.69 0.00 0.00 174.62 173.83 3m46 s TYR 42 N 1.78 0.29 -0.33 4.92 6.14 0.73 -0.88 117.35 130.00 3m46 s TYR 42 Ca 0.04 0.00 -0.21 0.00 0.64 0.00 0.00 57.07 57.54 3m46 s TYR 42 Cb -0.13 -0.38 -0.00 0.00 0.42 0.00 0.00 41.96 41.88 3m46 s TYR 42 CO -0.06 -0.12 0.67 0.42 0.64 0.00 0.00 175.55 177.10 3m46 s ILE 43 N 0.92 4.88 0.26 3.14 -1.09 -1.26 0.63 121.20 128.68 3m46 s ILE 43 Ca -0.09 0.81 -0.18 0.00 -2.23 0.00 0.00 60.65 58.96 3m46 s ILE 43 Cb -0.13 -4.07 -0.09 0.00 -1.58 0.00 0.00 42.46 36.60 3m46 s ILE 43 CO -0.02 -0.24 0.73 -0.04 -1.23 0.00 0.00 174.94 174.15 3m46 s MET 44 N 2.74 4.16 0.59 2.79 -1.94 0.24 -4.99 119.30 122.88 3m46 s MET 44 Ca 0.26 0.80 -0.18 0.00 -1.71 0.00 0.00 55.69 54.87 3m46 s MET 44 Cb -0.14 -2.70 -0.04 0.00 2.01 0.00 0.00 34.83 33.96 3m46 s MET 44 CO 0.13 0.30 1.13 0.34 -0.01 0.00 0.00 175.02 176.91 3m46 s ASP 45 N -1.89 5.47 0.40 3.03 2.15 -1.26 -4.83 116.67 119.73 3m46 s ASP 45 Ca 0.48 2.13 0.11 0.00 0.43 0.00 0.00 52.55 55.69 3m46 s ASP 45 Cb -0.14 -2.57 0.91 0.00 -0.30 0.00 0.00 42.92 40.82 3m46 s ASP 45 CO 0.20 -1.39 1.94 -0.33 -0.17 0.00 0.00 175.17 175.41 3m46 h GLU 46 N 0.76 0.55 0.00 4.34 5.08 -1.98 -1.62 114.58 121.71 3m46 h GLU 46 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3m46 h GLU 46 Cb 1.26 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3m46 h GLU 46 CO 0.56 0.36 -0.00 -0.25 -1.00 0.00 0.00 179.01 178.68 3m46 n ASP 47 N -4.49 0.12 -4.73 1.42 8.00 -1.26 -4.93 116.55 110.68 3m46 n ASP 47 Ca 0.13 0.51 -0.42 0.00 0.71 0.00 0.00 54.79 55.71 3m46 n ASP 47 Cb 0.39 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 40.93 3m46 n ASP 47 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3m46 n ASP 48 N -1.61 3.54 -4.64 -2.24 8.00 -0.61 -4.88 116.55 114.10 3m46 n ASP 48 Ca 0.07 1.16 -0.31 0.00 0.71 0.00 0.00 54.79 56.42 3m46 n ASP 48 Cb 0.35 -1.56 -0.09 0.00 -0.02 0.00 0.00 41.12 39.81 3m46 n ASP 48 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3m46 s ILE 49 N -0.28 3.83 -0.12 0.53 1.01 0.58 -4.97 121.20 121.77 3m46 s ILE 49 Ca 0.62 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 60.36 3m46 s ILE 49 Cb -0.53 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.19 3m46 s ILE 49 CO 0.52 0.22 -0.18 -0.69 0.00 0.00 0.00 174.94 174.82 3m46 s VAL 50 N -1.18 1.72 0.32 2.92 1.01 -1.26 -0.89 120.40 123.05 3m46 s VAL 50 Ca 0.22 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.52 3m46 s VAL 50 Cb -0.11 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 3m46 s VAL 50 CO 0.14 0.48 0.06 -0.31 0.00 0.00 0.00 175.10 175.47 3m46 s TYR 51 N 0.97 2.64 0.00 5.22 2.02 -0.44 -0.24 117.35 127.52 3m46 s TYR 51 Ca -0.06 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 3m46 s TYR 51 Cb -0.15 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 3m46 s TYR 51 CO -0.03 0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.82 3m46 n GLY 52 N -1.01 -0.68 2.76 0.71 0.00 -1.26 -1.92 105.19 103.79 3m46 n GLY 52 Ca -0.04 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 0.52 0.00 0.99 4.77 0.16 -4.92 117.00 118.51 3m46 n LEU 53 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3m46 n LEU 53 Cb 0.00 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 3m46 n LEU 53 CO 0.00 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 3m46 n GLY 54 N -1.20 2.73 3.36 -0.72 0.00 -1.14 -3.37 105.19 104.85 3m46 n GLY 54 Ca 0.00 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 14.00 1.65 -4.37 1.61 2.13 -1.26 -4.39 120.64 130.00 3m46 n GLU 55 Ca 0.00 -2.24 -0.19 0.00 0.66 0.00 0.00 57.16 55.39 3m46 n GLU 55 Cb 0.00 -3.36 -0.10 0.00 0.27 0.00 0.00 31.44 28.25 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 5.69 1.70 0.93 4.31 1.04 -1.22 -4.11 113.70 122.05 3m46 s SER 56 Ca 0.63 -1.47 -0.11 0.00 0.48 0.00 0.00 55.95 55.47 3m46 s SER 56 Cb 0.06 0.23 0.15 0.00 0.10 0.00 0.00 66.02 66.57 3m46 s SER 56 CO 0.12 -0.78 1.09 0.21 0.98 0.00 0.00 173.24 174.86 3m46 s ASN 57 N -3.40 3.06 0.69 7.02 3.84 -1.26 -4.88 114.94 120.01 3m46 s ASN 57 Ca 0.35 1.60 0.00 0.00 0.21 0.00 0.00 52.86 55.02 3m46 s ASN 57 Cb 0.06 -2.26 0.00 0.00 -0.55 0.00 0.00 41.25 38.51 3m46 s ASN 57 CO 0.15 -2.92 0.00 0.54 -2.79 0.00 0.00 177.10 172.08 3m46 n ARG 58 N -4.08 0.00 -0.11 0.43 1.74 -1.26 -4.98 116.66 108.40 3m46 n ARG 58 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3m46 n ARG 58 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 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 -0.38 0.07 -0.13 0.00 -1.26 -4.78 105.19 98.71 3m46 n GLY 59 Ca 0.00 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.43 1.60 -2.86 -0.61 2.04 -1.91 -3.38 117.51 111.96 3m46 h ILE 60 Ca 0.00 -2.12 -0.57 0.00 1.00 0.00 0.00 64.86 63.18 3m46 h ILE 60 Cb 0.00 2.98 -0.03 0.00 -0.74 0.00 0.00 36.82 39.03 3m46 h ILE 60 CO 0.00 0.53 1.11 0.21 0.00 0.00 0.00 178.15 180.00 3m46 s ASN 61 N -6.11 6.38 0.00 1.72 2.47 -1.26 -4.40 114.94 113.75 3m46 s ASN 61 Ca -0.17 1.46 0.31 0.00 0.42 0.00 0.00 52.86 54.87 3m46 s ASN 61 Cb -0.02 -2.53 1.64 0.00 -1.45 0.00 0.00 41.25 38.88 3m46 s ASN 61 CO 0.63 -1.28 2.10 0.29 -3.72 0.00 0.00 177.10 175.11 3m46 n LYS 62 N 7.71 0.74 -1.85 0.43 4.76 0.66 -4.90 118.16 125.70 3m46 n LYS 62 Ca 0.18 -0.06 -0.37 0.00 -2.87 0.00 0.00 58.31 55.19 3m46 n LYS 62 Cb 0.46 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.20 3m46 n LYS 62 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3m46 s ARG 63 N -2.30 2.86 0.00 1.97 0.52 -1.26 -3.81 118.95 116.93 3m46 s ARG 63 Ca 0.37 2.03 0.00 0.00 -0.52 0.00 0.00 55.73 57.61 3m46 s ARG 63 Cb 0.21 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.69 3m46 s ARG 63 CO 0.42 -1.35 0.00 0.41 0.02 0.00 0.00 175.30 174.80 3m46 n GLY 64 N 0.73 0.61 3.68 -3.53 0.00 -0.35 -4.99 105.19 101.35 3m46 n GLY 64 Ca 0.14 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 0.56 -0.11 1.61 5.04 -0.76 -4.71 117.35 116.99 3m46 s TYR 65 Ca 0.00 -1.07 0.03 0.00 -2.44 0.00 0.00 57.07 53.59 3m46 s TYR 65 Cb 0.00 0.47 -0.01 0.00 0.35 0.00 0.00 41.96 42.77 3m46 s TYR 65 CO 0.00 -1.44 -0.20 0.00 -1.34 0.00 0.00 175.55 172.57 3m46 s TYR 67 N 0.28 1.85 -0.31 0.00 2.02 0.44 -4.63 117.35 117.00 3m46 s TYR 67 Ca -0.14 -0.99 -0.12 0.00 -0.37 0.00 0.00 57.07 55.45 3m46 s TYR 67 Cb -0.17 -1.42 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 3m46 s TYR 67 CO 0.07 -0.59 0.21 0.42 -1.57 0.00 0.00 175.55 174.09 3m46 s ILE 68 N 1.58 5.25 -0.81 2.71 1.01 0.49 0.35 121.20 131.78 3m46 s ILE 68 Ca 0.05 -0.02 -0.25 0.00 0.00 0.00 0.00 60.65 60.42 3m46 s ILE 68 Cb -0.13 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.76 3m46 s ILE 68 CO -0.09 0.14 1.61 -0.44 0.00 0.00 0.00 174.94 176.16 3m46 s SER 69 N 1.74 5.80 -0.47 3.58 0.01 0.33 -4.15 113.70 120.54 3m46 s SER 69 Ca 0.07 -0.54 0.03 0.00 1.31 0.00 0.00 55.95 56.82 3m46 s SER 69 Cb -0.17 -2.55 0.20 0.00 0.21 0.00 0.00 66.02 63.71 3m46 s SER 69 CO 0.10 -2.09 0.84 0.21 0.41 0.00 0.00 173.24 172.71 3m46 s ASN 70 N 6.06 -1.11 -0.49 2.44 2.47 -1.26 -2.50 114.94 120.55 3m46 s ASN 70 Ca 0.53 -1.32 -0.39 0.00 0.42 0.00 0.00 52.86 52.10 3m46 s ASN 70 Cb -0.07 1.46 -0.16 0.00 -1.45 0.00 0.00 41.25 41.03 3m46 s ASN 70 CO 0.07 -0.04 2.22 0.00 -3.72 0.00 0.00 177.10 175.63 3m46 s THR 72 N 6.95 2.81 -2.00 0.00 -4.23 -0.83 -4.86 115.64 113.47 3m46 s THR 72 Ca 1.17 -1.10 0.07 0.00 -1.18 0.00 0.00 61.69 60.64 3m46 s THR 72 Cb -1.20 -2.16 0.20 0.00 1.34 0.00 0.00 72.50 70.68 3m46 s THR 72 CO 0.57 0.39 1.26 0.00 -0.54 0.00 0.00 174.62 176.30 3m46 n ALA 73 N 1.71 2.54 -1.60 3.99 0.00 -1.26 -4.33 120.51 121.56 3m46 n ALA 73 Ca -0.16 -0.05 -0.54 0.00 0.00 0.00 0.00 53.44 52.69 3m46 n ALA 73 Cb 0.52 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.60 1.52 -0.01 0.00 -0.08 -1.26 -4.90 116.55 111.23 3m46 n ASP 74 Ca 0.05 1.12 0.09 0.00 -1.51 0.00 0.00 54.79 54.54 3m46 n ASP 74 Cb 0.03 -1.13 -0.13 0.00 2.34 0.00 0.00 41.12 42.22 3m46 n ASP 74 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3m46 n PRO 75 N 2.90 0.58 -3.15 -0.67 -0.04 -1.26 -4.87 135.00 128.48 3m46 n PRO 75 Ca 0.20 -0.15 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 3m46 n PRO 75 Cb 0.16 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 32.15 3m46 n PRO 75 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3m46 s ILE 76 N -3.16 4.96 -0.95 0.52 -1.09 -1.26 -3.59 121.20 116.63 3m46 s ILE 76 Ca -0.06 0.74 -0.01 0.00 -2.23 0.00 0.00 60.65 59.09 3m46 s ILE 76 Cb 0.11 -3.98 0.30 0.00 -1.58 0.00 0.00 42.46 37.31 3m46 s ILE 76 CO 0.71 -0.14 1.31 1.41 -1.23 0.00 0.00 174.94 177.00 3m46 n HIS 77 N 5.83 2.67 -2.15 3.97 8.25 -1.26 -4.97 115.22 127.56 3m46 n HIS 77 Ca -0.02 -3.01 -0.31 0.00 -0.26 0.00 0.00 57.72 54.12 3m46 n HIS 77 Cb 0.49 -1.05 -0.01 0.00 1.12 0.00 0.00 29.99 30.54 3m46 n HIS 77 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3m46 s THR 78 N -2.88 4.69 -1.32 1.59 -1.32 -1.26 -4.99 115.64 110.15 3m46 s THR 78 Ca 0.34 0.87 0.17 0.00 -1.21 0.00 0.00 61.69 61.86 3m46 s THR 78 Cb 0.09 -3.82 0.25 0.00 -1.51 0.00 0.00 72.50 67.51 3m46 s THR 78 CO 0.06 -0.96 1.50 -1.84 -2.21 0.00 0.00 174.62 171.16 3m46 n GLU 79 N -2.30 0.17 0.00 7.08 0.28 -1.26 -2.36 120.64 122.25 3m46 n GLU 79 Ca 0.05 0.15 0.13 0.00 -0.16 0.00 0.00 57.16 57.34 3m46 n GLU 79 Cb 0.54 -1.50 0.52 0.00 1.43 0.00 0.00 31.44 32.43 3m46 n GLU 79 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3m46 n ASP 80 N -1.34 0.24 -4.76 -1.84 5.75 -1.26 -4.91 116.55 108.42 3m46 n ASP 80 Ca 0.07 0.05 -0.40 0.00 -0.01 0.00 0.00 54.79 54.49 3m46 n ASP 80 Cb 0.15 -0.19 -0.05 0.00 -1.03 0.00 0.00 41.12 40.00 3m46 n ASP 80 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3m46 s LYS 81 N -2.88 4.71 0.00 0.11 -0.14 -0.99 -4.95 119.74 115.60 3m46 s LYS 81 Ca 0.17 1.70 0.03 0.00 -1.36 0.00 0.00 55.97 56.50 3m46 s LYS 81 Cb 0.19 -3.22 0.06 0.00 -1.68 0.00 0.00 37.83 33.17 3m46 s LYS 81 CO 0.57 0.31 0.84 0.54 -0.76 0.00 0.00 175.35 176.84 3m46 n ARG 82 N 1.32 1.20 -3.37 1.68 1.74 -1.26 -4.76 116.66 113.21 3m46 n ARG 82 Ca -0.01 -1.17 -0.11 0.00 -0.77 0.00 0.00 57.85 55.79 3m46 n ARG 82 Cb 0.46 -1.07 -0.09 0.00 -1.02 0.00 0.00 32.46 30.74 3m46 n ARG 82 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3m46 s SER 83 N -0.63 0.51 0.00 0.55 0.01 -1.26 0.18 113.70 113.06 3m46 s SER 83 Ca 0.05 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.35 3m46 s SER 83 Cb 0.03 0.97 0.00 0.00 0.21 0.00 0.00 66.02 67.23 3m46 s SER 83 CO 0.04 -0.31 0.00 0.18 0.41 0.00 0.00 173.24 173.56 3m46 n LEU 84 N 5.35 0.00 0.07 2.44 4.77 -1.26 -4.61 117.00 123.76 3m46 n LEU 84 Ca -0.03 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 3m46 n LEU 84 Cb 0.50 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 3m46 n LEU 84 CO 0.05 0.00 -0.35 1.88 -1.33 0.00 0.00 177.39 177.64 3m46 h TYR 85 N 0.00 0.53 -4.12 -1.77 0.05 -1.82 -2.21 116.97 107.63 3m46 h TYR 85 Ca 0.00 -0.39 -0.45 0.00 0.05 0.00 0.00 58.73 57.94 3m46 h TYR 85 Cb 0.00 -0.02 0.14 0.00 1.01 0.00 0.00 36.73 37.86 3m46 h TYR 85 CO 0.00 1.44 0.32 0.20 -1.05 0.00 0.00 178.16 179.07 3m46 s GLY 86 N -4.95 1.63 -0.37 3.88 0.00 -1.26 -3.92 107.32 102.33 3m46 s GLY 86 Ca -0.10 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 43.90 3m46 s GLY 86 CO 0.86 -0.12 0.49 0.00 0.00 0.00 0.00 173.10 174.33 3m46 s ALA 87 N -3.43 -1.41 -0.38 3.20 0.00 -0.97 -4.35 121.76 114.42 3m46 s ALA 87 Ca 0.67 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.40 3m46 s ALA 87 Cb -0.11 -2.36 0.12 0.00 0.00 0.00 0.00 23.12 20.77 3m46 s ALA 87 CO 0.53 -2.11 0.16 -1.01 0.00 0.00 0.00 175.76 173.34 3m46 s HIS 88 N 1.81 1.99 -0.25 0.00 3.76 -1.26 -3.65 115.29 117.69 3m46 s HIS 88 Ca 0.15 -2.17 -0.02 0.00 -0.15 0.00 0.00 55.06 52.87 3m46 s HIS 88 Cb -0.10 -1.88 0.08 0.00 1.11 0.00 0.00 32.58 31.79 3m46 s HIS 88 CO -0.09 -0.84 2.38 0.09 -0.85 0.00 0.00 174.74 175.43 3m46 n ASN 89 N 4.15 6.12 -4.16 1.40 3.02 -1.26 -3.67 115.26 120.87 3m46 n ASN 89 Ca 0.04 -2.91 -0.34 0.00 -0.03 0.00 0.00 54.58 51.34 3m46 n ASN 89 Cb 0.38 -1.15 -0.15 0.00 -0.61 0.00 0.00 39.78 38.25 3m46 n ASN 89 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3m46 s PHE 90 N -1.13 3.09 0.06 3.10 5.36 -1.26 -0.73 117.98 126.47 3m46 s PHE 90 Ca 0.36 -1.78 0.06 0.00 -0.96 0.00 0.00 56.93 54.62 3m46 s PHE 90 Cb 0.24 -2.01 -0.03 0.00 -0.34 0.00 0.00 43.02 40.88 3m46 s PHE 90 CO -0.05 -0.78 -0.17 0.96 -1.46 0.00 0.00 175.22 173.71 3m46 s ILE 91 N 1.26 1.39 -0.14 3.12 -4.36 -0.09 -0.67 121.20 121.72 3m46 s ILE 91 Ca -0.02 -1.24 0.02 0.00 -0.26 0.00 0.00 60.65 59.16 3m46 s ILE 91 Cb -0.17 -1.26 0.01 0.00 1.25 0.00 0.00 42.46 42.29 3m46 s ILE 91 CO -0.06 -0.01 -0.21 -0.63 0.24 0.00 0.00 174.94 174.27 3m46 s ILE 92 N -1.00 1.99 -0.07 8.37 1.09 -0.81 0.93 121.20 131.69 3m46 s ILE 92 Ca 0.03 -0.94 -0.21 0.00 -1.10 0.00 0.00 60.65 58.44 3m46 s ILE 92 Cb -0.09 -1.76 -0.04 0.00 -1.06 0.00 0.00 42.46 39.51 3m46 s ILE 92 CO 0.02 0.54 0.61 -0.69 -0.10 0.00 0.00 174.94 175.32 3m46 s VAL 93 N 0.83 5.07 -0.13 2.92 1.01 0.88 -1.32 120.40 129.66 3m46 s VAL 93 Ca -0.07 1.24 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 3m46 s VAL 93 Cb -0.15 -3.95 0.05 0.00 0.00 0.00 0.00 36.38 32.33 3m46 s VAL 93 CO -0.02 0.30 0.06 -0.55 0.00 0.00 0.00 175.10 174.89 3m46 s SER 94 N 0.58 2.05 0.00 3.32 0.15 -0.07 -0.98 113.70 118.77 3m46 s SER 94 Ca 0.33 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.57 3m46 s SER 94 Cb -0.17 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 3m46 s SER 94 CO 0.15 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3m46 n GLY 95 N 5.21 -0.63 0.08 9.45 0.00 -1.26 -0.31 105.19 117.74 3m46 n GLY 95 Ca -0.06 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.05 -5.04 1.61 1.57 -1.97 -3.38 116.57 109.31 3m46 h LYS 96 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 3m46 h LYS 96 Cb 0.00 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 32.16 3m46 h LYS 96 CO 0.00 0.48 -0.24 0.99 -0.57 0.00 0.00 179.45 180.11 3m46 s THR 97 N -3.88 5.14 -0.12 -0.16 2.01 -1.26 -5.08 115.64 112.30 3m46 s THR 97 Ca -0.16 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3m46 s THR 97 Cb 0.01 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 3m46 s THR 97 CO 0.64 -0.06 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.50 3m46 s THR 98 N 2.09 3.18 0.17 -0.82 2.01 -1.26 -4.34 115.64 116.68 3m46 s THR 98 Ca 0.13 -0.63 -0.24 0.00 0.31 0.00 0.00 61.69 61.27 3m46 s THR 98 Cb -0.16 -2.33 0.06 0.00 0.01 0.00 0.00 72.50 70.08 3m46 s THR 98 CO 0.12 0.53 0.77 0.72 -0.69 0.00 0.00 174.62 176.07 3m46 s PHE 99 N 0.13 -0.29 0.16 4.92 -0.12 -0.15 -4.50 117.98 118.12 3m46 s PHE 99 Ca -0.06 -0.01 0.10 0.00 -0.05 0.00 0.00 56.93 56.91 3m46 s PHE 99 Cb -0.15 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 3m46 s PHE 99 CO 0.04 -0.93 -0.21 0.20 -0.05 0.00 0.00 175.22 174.28 3m46 s GLY 100 N -2.81 1.68 -0.07 1.99 0.00 0.09 -0.08 107.32 108.12 3m46 s GLY 100 Ca 0.08 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 3m46 s GLY 100 CO -0.02 -1.50 -0.02 1.08 0.00 0.00 0.00 173.10 172.64 3m46 s LEU 101 N -2.42 0.77 -0.23 0.66 1.43 0.26 -1.35 118.68 117.81 3m46 s LEU 101 Ca 0.19 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 3m46 s LEU 101 Cb -0.09 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.62 3m46 s LEU 101 CO 0.10 -0.17 -0.03 0.12 0.23 0.00 0.00 176.35 176.60 3m46 s PHE 102 N 1.80 2.98 -0.71 0.29 5.36 -0.57 -0.91 117.98 126.22 3m46 s PHE 102 Ca 0.03 -0.96 -0.15 0.00 -0.96 0.00 0.00 56.93 54.89 3m46 s PHE 102 Cb -0.13 -2.12 0.18 0.00 -0.34 0.00 0.00 43.02 40.62 3m46 s PHE 102 CO -0.05 -0.56 0.65 -0.06 -1.46 0.00 0.00 175.22 173.75 3m46 s PHE 103 N 1.47 3.56 -1.16 10.12 0.08 0.09 -0.69 117.98 131.45 3m46 s PHE 103 Ca 0.05 -1.73 -0.21 0.00 0.12 0.00 0.00 56.93 55.16 3m46 s PHE 103 Cb -0.15 -3.80 0.05 0.00 -0.57 0.00 0.00 43.02 38.55 3m46 s PHE 103 CO -0.03 -1.00 1.65 0.34 -0.10 0.00 0.00 175.22 176.08 3m46 s ASP 104 N 2.70 6.52 -0.15 1.36 -1.08 0.56 -4.72 116.67 121.86 3m46 s ASP 104 Ca 0.12 -1.93 -0.04 0.00 -0.52 0.00 0.00 52.55 50.18 3m46 s ASP 104 Cb -0.18 -2.58 0.07 0.00 -1.46 0.00 0.00 42.92 38.77 3m46 s ASP 104 CO -0.04 -1.49 0.22 -0.47 0.52 0.00 0.00 175.17 173.90 3m46 s TYR 105 N 5.20 -0.29 -1.32 -5.34 5.04 -1.26 -2.69 117.35 116.69 3m46 s TYR 105 Ca 0.52 0.56 0.25 0.00 -2.44 0.00 0.00 57.07 55.97 3m46 s TYR 105 Cb 0.02 -0.24 1.24 0.00 0.35 0.00 0.00 41.96 43.33 3m46 s TYR 105 CO 0.01 -0.43 1.85 -0.35 -1.34 0.00 0.00 175.55 175.29 3m46 n PRO 106 N 5.33 0.28 0.00 4.97 -0.04 -1.26 -4.86 135.00 139.42 3m46 n PRO 106 Ca -0.05 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3m46 n PRO 106 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.34 1.76 -4.58 3.54 2.88 -1.26 -0.96 113.62 113.67 3m46 n SER 107 Ca 0.11 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.24 3m46 n SER 107 Cb 0.23 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.66 3m46 n SER 107 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3m46 s LYS 108 N 1.17 2.93 -0.10 -1.46 2.20 -1.26 -4.79 119.74 118.44 3m46 s LYS 108 Ca 0.00 1.12 0.03 0.00 -0.36 0.00 0.00 55.97 56.76 3m46 s LYS 108 Cb 0.00 -4.31 -0.00 0.00 -1.51 0.00 0.00 37.83 32.00 3m46 s LYS 108 CO 0.00 -2.34 -0.22 -1.17 -0.36 0.00 0.00 175.35 171.26 3m46 s LEU 109 N 8.29 2.22 -0.20 5.43 2.96 -1.04 -4.45 118.68 131.89 3m46 s LEU 109 Ca 0.77 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 54.13 3m46 s LEU 109 Cb -0.18 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3m46 s LEU 109 CO 0.28 0.17 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.58 3m46 s THR 110 N 0.27 3.84 -0.46 3.68 2.01 -0.59 0.12 115.64 124.51 3m46 s THR 110 Ca -0.15 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 3m46 s THR 110 Cb -0.17 -2.73 0.12 0.00 0.01 0.00 0.00 72.50 69.73 3m46 s THR 110 CO 0.08 0.44 0.32 -0.36 -0.69 0.00 0.00 174.62 174.40 3m46 s PHE 111 N 0.97 3.46 -0.87 4.92 0.08 0.16 -1.59 117.98 125.11 3m46 s PHE 111 Ca 0.01 -2.00 -0.18 0.00 0.12 0.00 0.00 56.93 54.88 3m46 s PHE 111 Cb -0.14 -3.44 0.15 0.00 -0.57 0.00 0.00 43.02 39.01 3m46 s PHE 111 CO 0.01 -0.99 1.00 0.34 -0.10 0.00 0.00 175.22 175.49 3m46 s ASP 112 N 2.47 6.60 -0.44 1.36 -1.08 0.59 -0.42 116.67 125.75 3m46 s ASP 112 Ca 0.06 -2.10 -0.06 0.00 -0.52 0.00 0.00 52.55 49.93 3m46 s ASP 112 Cb -0.25 -2.35 0.11 0.00 -1.46 0.00 0.00 42.92 38.97 3m46 s ASP 112 CO -0.02 -0.97 0.28 -0.63 0.52 0.00 0.00 175.17 174.35 3m46 s ILE 113 N 2.17 3.81 0.00 4.11 1.01 -0.94 -0.87 121.20 130.48 3m46 s ILE 113 Ca 0.27 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 59.04 3m46 s ILE 113 Cb -0.08 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3m46 s ILE 113 CO -0.07 -0.72 0.00 0.61 0.00 0.00 0.00 174.94 174.75 3m46 n GLY 114 N 4.77 0.23 0.26 6.18 0.00 -0.64 -1.21 105.19 114.78 3m46 n GLY 114 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.54 -0.28 1.61 3.20 -1.79 -3.23 116.97 115.94 3m46 h TYR 115 Ca 0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 3m46 h TYR 115 Cb 0.00 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3m46 h TYR 115 CO 0.00 -0.34 -0.07 1.15 -1.64 0.00 0.00 178.16 177.26 3m46 h THR 116 N -1.12 1.28 -2.97 1.81 2.02 -1.89 -3.44 112.91 108.61 3m46 h THR 116 Ca -0.06 -1.11 -0.22 0.00 0.77 0.00 0.00 66.41 65.80 3m46 h THR 116 Cb 0.45 1.43 -0.32 0.00 -1.74 0.00 0.00 68.15 67.97 3m46 h THR 116 CO 0.10 0.35 -0.53 -0.60 0.37 0.00 0.00 175.52 175.21 3m46 s ARG 117 N -4.75 0.15 0.42 6.66 6.06 -1.25 -5.08 118.95 121.16 3m46 s ARG 117 Ca -0.13 0.63 0.08 0.00 -2.50 0.00 0.00 55.73 53.81 3m46 s ARG 117 Cb 0.08 -0.10 0.88 0.00 0.06 0.00 0.00 34.95 35.87 3m46 s ARG 117 CO 0.77 -0.24 2.04 1.98 -2.50 0.00 0.00 175.30 177.36 3m46 h MET 118 N 7.85 0.44 -0.24 5.12 1.85 -1.84 -1.09 114.93 127.01 3m46 h MET 118 Ca -0.25 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.80 3m46 h MET 118 Cb 1.13 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.07 3m46 h MET 118 CO 0.24 0.33 0.00 -0.40 -0.40 0.00 0.00 176.91 176.68 3m46 n ASP 119 N -4.45 2.28 -4.33 1.39 5.68 -1.26 -4.43 116.55 111.44 3m46 n ASP 119 Ca 0.02 -1.82 -0.34 0.00 -0.50 0.00 0.00 54.79 52.14 3m46 n ASP 119 Cb 0.10 -0.16 -0.14 0.00 -1.14 0.00 0.00 41.12 39.78 3m46 n ASP 119 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3m46 s THR 120 N -1.69 3.26 -0.26 2.12 2.01 -0.41 0.79 115.64 121.46 3m46 s THR 120 Ca 0.34 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 3m46 s THR 120 Cb 0.19 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 3m46 s THR 120 CO 0.28 0.46 0.05 -0.22 -0.69 0.00 0.00 174.62 174.50 3m46 s LEU 121 N 1.13 3.48 -0.23 4.42 2.96 0.20 -1.63 118.68 129.02 3m46 s LEU 121 Ca 0.01 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3m46 s LEU 121 Cb -0.14 -1.88 0.07 0.00 0.50 0.00 0.00 46.19 44.73 3m46 s LEU 121 CO -0.01 -0.08 0.02 -0.75 -1.32 0.00 0.00 176.35 174.20 3m46 s LYS 122 N 1.56 1.01 -0.28 1.98 2.20 -0.05 -0.19 119.74 125.96 3m46 s LYS 122 Ca 0.05 -0.76 -0.09 0.00 -0.36 0.00 0.00 55.97 54.81 3m46 s LYS 122 Cb -0.16 -2.27 -0.02 0.00 -1.51 0.00 0.00 37.83 33.87 3m46 s LYS 122 CO 0.02 -0.70 0.12 0.08 -0.36 0.00 0.00 175.35 174.51 3m46 s VAL 123 N 1.64 4.56 0.07 4.02 1.01 -0.16 -0.30 120.40 131.24 3m46 s VAL 123 Ca -0.00 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3m46 s VAL 123 Cb -0.18 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3m46 s VAL 123 CO -0.11 0.20 -0.11 -0.94 0.00 0.00 0.00 175.10 174.15 3m46 s SER 124 N 1.63 1.36 0.10 3.32 1.04 -0.62 0.17 113.70 120.69 3m46 s SER 124 Ca 0.06 -0.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.67 3m46 s SER 124 Cb -0.16 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 65.98 3m46 s SER 124 CO 0.06 -0.19 0.30 0.00 0.98 0.00 0.00 173.24 174.39 3m46 h GLU 126 N 2.61 0.21 -5.65 0.00 4.81 -1.85 -1.03 114.58 113.68 3m46 h GLU 126 Ca -0.34 -0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.20 3m46 h GLU 126 Cb 1.23 -0.05 -0.30 0.00 0.63 0.00 0.00 28.75 30.26 3m46 h GLU 126 CO 0.51 0.14 -0.85 -0.80 -0.73 0.00 0.00 179.01 177.28 3m46 s ASN 127 N -5.33 3.35 -1.47 1.04 0.01 -1.26 -4.21 114.94 107.08 3m46 s ASN 127 Ca -0.13 -0.46 -0.11 0.00 -0.71 0.00 0.00 52.86 51.44 3m46 s ASN 127 Cb 0.11 -1.21 -0.05 0.00 0.41 0.00 0.00 41.25 40.52 3m46 s ASN 127 CO 0.70 0.21 2.62 0.00 -1.51 0.00 0.00 177.10 179.12 3m46 n ALA 128 N 3.22 6.50 -3.58 0.60 0.00 -1.25 -4.67 120.51 121.33 3m46 n ALA 128 Ca -0.18 -3.49 -0.29 0.00 0.00 0.00 0.00 53.44 49.48 3m46 n ALA 128 Cb 0.52 -3.41 -0.13 0.00 0.00 0.00 0.00 19.45 16.44 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 2.73 3.37 -0.19 0.00 1.01 -1.25 -2.71 116.67 119.62 3m46 s ASP 129 Ca 0.60 -2.17 -0.34 0.00 0.71 0.00 0.00 52.55 51.34 3m46 s ASP 129 Cb 0.16 -0.65 0.14 0.00 1.01 0.00 0.00 42.92 43.58 3m46 s ASP 129 CO -0.06 -0.32 1.21 -1.48 0.21 0.00 0.00 175.17 174.73 3m46 s LEU 130 N 1.01 -0.14 -0.15 1.23 2.34 -0.75 -4.55 118.68 117.67 3m46 s LEU 130 Ca 0.16 0.02 -0.04 0.00 0.06 0.00 0.00 54.13 54.34 3m46 s LEU 130 Cb -0.22 1.39 -0.03 0.00 -0.56 0.00 0.00 46.19 46.77 3m46 s LEU 130 CO -0.06 -0.23 -0.03 -1.81 -1.06 0.00 0.00 176.35 173.16 3m46 s ASP 131 N -2.03 4.88 -0.19 1.48 1.01 -1.09 -1.60 116.67 119.13 3m46 s ASP 131 Ca 0.09 -0.09 -0.03 0.00 0.71 0.00 0.00 52.55 53.22 3m46 s ASP 131 Cb -0.01 -1.75 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 3m46 s ASP 131 CO -0.05 0.19 -0.05 -0.63 0.21 0.00 0.00 175.17 174.85 3m46 s ILE 132 N 0.24 3.52 -0.27 0.77 1.01 0.86 -0.33 121.20 127.00 3m46 s ILE 132 Ca -0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 60.04 3m46 s ILE 132 Cb -0.14 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 3m46 s ILE 132 CO 0.03 0.45 0.27 -0.31 0.00 0.00 0.00 174.94 175.38 3m46 s TYR 133 N 1.04 3.25 -0.18 3.97 2.02 0.13 -0.04 117.35 127.54 3m46 s TYR 133 Ca 0.01 0.27 -0.09 0.00 -0.37 0.00 0.00 57.07 56.89 3m46 s TYR 133 Cb -0.15 -2.45 -0.05 0.00 -0.40 0.00 0.00 41.96 38.92 3m46 s TYR 133 CO 0.00 -0.16 0.11 0.08 -1.57 0.00 0.00 175.55 174.01 3m46 s VAL 134 N 1.79 5.21 -0.08 0.71 1.01 0.37 -1.51 120.40 127.91 3m46 s VAL 134 Ca 0.11 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.22 3m46 s VAL 134 Cb -0.16 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.89 3m46 s VAL 134 CO 0.10 0.47 -0.13 -0.63 0.00 0.00 0.00 175.10 174.91 3m46 s ILE 135 N 0.15 1.23 -0.02 2.22 1.01 -0.45 -0.73 121.20 124.61 3m46 s ILE 135 Ca 0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 3m46 s ILE 135 Cb -0.12 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 3m46 s ILE 135 CO -0.01 0.38 0.17 -1.61 0.00 0.00 0.00 174.94 173.88 3m46 s GLU 136 N 0.79 3.41 -0.01 2.79 0.41 -0.57 -0.73 118.70 124.80 3m46 s GLU 136 Ca -0.12 -0.31 -0.29 0.00 -0.41 0.00 0.00 54.97 53.83 3m46 s GLU 136 Cb -0.16 -3.09 0.10 0.00 -1.78 0.00 0.00 34.13 29.21 3m46 s GLU 136 CO 0.02 0.68 1.00 0.20 -0.49 0.00 0.00 175.26 176.67 3m46 s GLY 137 N -1.84 -0.38 0.51 -1.39 0.00 -1.26 -4.71 107.32 98.25 3m46 s GLY 137 Ca 0.26 0.90 0.30 0.00 0.00 0.00 0.00 44.72 46.18 3m46 s GLY 137 CO 0.17 0.28 1.93 0.83 0.00 0.00 0.00 173.10 176.31 3m46 h GLU 138 N 2.00 0.00 -2.51 2.90 5.08 -1.95 -3.46 114.58 116.64 3m46 h GLU 138 Ca -0.21 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.34 3m46 h GLU 138 Cb 1.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 3m46 h GLU 138 CO 0.28 0.09 0.63 0.54 -1.00 0.00 0.00 179.01 179.55 3m46 s ASN 139 N -5.90 0.01 0.04 1.42 2.20 -1.26 -5.01 114.94 106.44 3m46 s ASN 139 Ca 0.01 -0.63 -0.26 0.00 -0.94 0.00 0.00 52.86 51.04 3m46 s ASN 139 Cb 0.10 0.46 -0.17 0.00 -2.00 0.00 0.00 41.25 39.63 3m46 s ASN 139 CO 0.58 -0.91 1.47 0.00 -2.94 0.00 0.00 177.10 175.29 3m46 h ALA 140 N 2.00 -0.32 -0.65 3.54 0.00 -1.91 -2.19 119.26 119.74 3m46 h ALA 140 Ca -0.27 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.62 3m46 h ALA 140 Cb 1.21 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 3m46 h ALA 140 CO 0.36 -0.58 -0.25 -0.92 0.00 0.00 0.00 179.25 177.86 3m46 h TYR 141 N -0.51 -0.64 -0.01 0.00 3.20 -1.96 0.29 116.97 117.34 3m46 h TYR 141 Ca -0.03 0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.93 3m46 h TYR 141 Cb 0.38 0.38 -0.06 0.00 1.54 0.00 0.00 36.73 38.97 3m46 h TYR 141 CO -0.01 -0.34 -0.45 -0.44 -1.64 0.00 0.00 178.16 175.29 3m46 h ASP 142 N -0.08 -1.37 -0.80 -2.11 3.32 -1.94 -1.11 116.42 112.33 3m46 h ASP 142 Ca 0.29 0.16 0.13 0.00 0.02 0.00 0.00 57.03 57.63 3m46 h ASP 142 Cb 0.53 0.53 -0.09 0.00 0.22 0.00 0.00 39.33 40.53 3m46 h ASP 142 CO -0.70 -0.47 0.40 0.40 -1.72 0.00 0.00 179.24 177.15 3m46 h ILE 143 N -0.60 0.77 -0.06 0.35 2.04 -0.61 -1.95 117.51 117.45 3m46 h ILE 143 Ca 0.04 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3m46 h ILE 143 Cb 0.67 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3m46 h ILE 143 CO -0.33 0.11 -0.03 0.58 0.00 0.00 0.00 178.15 178.48 3m46 h VAL 144 N 0.62 0.89 -0.10 1.67 2.07 -0.01 -2.19 116.25 119.20 3m46 h VAL 144 Ca 0.42 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.93 3m46 h VAL 144 Cb 0.54 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3m46 h VAL 144 CO -0.33 0.00 0.01 0.11 0.02 0.00 0.00 177.57 177.38 3m46 h LYS 145 N -0.03 0.14 -0.09 1.57 1.57 -0.45 0.31 116.57 119.60 3m46 h LYS 145 Ca 0.04 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.59 3m46 h LYS 145 Cb 0.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3m46 h LYS 145 CO -0.08 0.16 -0.80 1.96 -0.57 0.00 0.00 179.45 180.12 3m46 h GLN 146 N 0.14 0.56 -0.41 3.15 4.20 -1.28 -2.66 115.11 118.81 3m46 h GLN 146 Ca 0.04 -0.48 -0.08 0.00 0.06 0.00 0.00 58.65 58.18 3m46 h GLN 146 Cb 0.09 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3m46 h GLN 146 CO 0.00 1.11 -0.06 0.35 -0.67 0.00 0.00 178.83 179.56 3m46 h PHE 147 N 0.37 0.85 -0.37 2.96 3.57 -0.45 -1.24 116.94 122.63 3m46 h PHE 147 Ca -0.05 -0.17 0.11 0.00 3.53 0.00 0.00 57.97 61.39 3m46 h PHE 147 Cb 1.41 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3m46 h PHE 147 CO 0.06 0.87 0.34 0.00 -2.23 0.00 0.00 178.31 177.35 3m46 h ARG 148 N 0.59 0.00 -0.02 1.11 2.47 -0.48 -2.45 114.38 115.61 3m46 h ARG 148 Ca 0.11 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.78 3m46 h ARG 148 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 3m46 h ARG 148 CO 0.03 0.00 -0.17 -0.09 0.56 0.00 0.00 179.97 180.30 3m46 h ARG 149 N 0.00 0.15 0.00 0.04 2.43 -0.86 -3.35 114.38 112.79 3m46 h ARG 149 Ca 0.18 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3m46 h ARG 149 Cb 0.85 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3m46 h ARG 149 CO -0.00 0.83 -0.01 -0.39 -1.51 0.00 0.00 179.97 178.89 3m46 h VAL 150 N -0.48 0.02 -0.21 0.20 -1.51 -1.08 -3.13 116.25 110.07 3m46 h VAL 150 Ca -0.02 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 3m46 h VAL 150 Cb 0.87 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 3m46 h VAL 150 CO 0.04 0.01 0.00 2.30 -1.23 0.00 0.00 177.57 178.68 3m46 n ILE 151 N -3.10 0.26 0.00 7.19 -5.35 -0.97 -0.09 119.36 117.31 3m46 n ILE 151 Ca 0.02 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3m46 n ILE 151 Cb 0.42 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 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 1.19 -2.13 3.58 3.28 0.00 -1.18 -4.41 105.19 105.52 3m46 n GLY 152 Ca 0.16 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 3m46 n GLY 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3m46 n ARG 153 N -0.75 1.06 -2.48 1.61 0.63 -1.26 -4.87 116.66 110.59 3m46 n ARG 153 Ca 0.00 0.39 -0.39 0.00 -0.92 0.00 0.00 57.85 56.93 3m46 n ARG 153 Cb 0.00 -1.97 -0.04 0.00 0.45 0.00 0.00 32.46 30.90 3m46 n ARG 153 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3m46 s SER 154 N -0.93 7.11 -0.16 6.15 0.01 -1.26 -4.49 113.70 120.12 3m46 s SER 154 Ca 0.67 2.22 -0.38 0.00 1.31 0.00 0.00 55.95 59.76 3m46 s SER 154 Cb -0.52 -2.62 -0.18 0.00 0.21 0.00 0.00 66.02 62.92 3m46 s SER 154 CO 0.54 -0.25 1.13 0.00 0.41 0.00 0.00 173.24 175.07 3m46 n TYR 155 N 0.82 0.93 -4.02 2.43 9.36 0.26 -4.94 117.16 122.01 3m46 n TYR 155 Ca 0.01 0.97 -0.35 0.00 3.32 0.00 0.00 57.90 61.85 3m46 n TYR 155 Cb 0.46 -1.91 -0.11 0.00 -0.63 0.00 0.00 39.34 37.15 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 0.97 4.51 0.39 2.97 1.01 -1.26 -4.78 121.20 125.01 3m46 s ILE 156 Ca 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 3m46 s ILE 156 Cb -1.21 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 3m46 s ILE 156 CO 0.59 0.43 0.64 -2.16 0.00 0.00 0.00 174.94 174.44 3m46 s PRO 157 N 0.69 3.53 0.55 2.79 0.04 -1.26 -4.77 135.00 136.57 3m46 s PRO 157 Ca 0.02 -0.09 -0.22 0.00 0.04 0.00 0.00 61.00 60.75 3m46 s PRO 157 Cb -0.13 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.80 3m46 s PRO 157 CO 0.02 0.03 1.37 -0.35 0.04 0.00 0.00 177.00 178.11 3m46 n PRO 158 N -1.84 1.71 -0.01 0.56 -0.04 -1.26 -4.90 135.00 129.22 3m46 n PRO 158 Ca -0.02 0.63 0.16 0.00 -0.04 0.00 0.00 63.50 64.23 3m46 n PRO 158 Cb 0.55 -2.59 0.62 0.00 -0.04 0.00 0.00 33.50 32.04 3m46 n PRO 158 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3m46 h LYS 159 N 1.44 0.15 0.00 0.54 3.64 -1.47 -1.24 116.57 119.63 3m46 h LYS 159 Ca -0.51 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.82 3m46 h LYS 159 Cb 1.30 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3m46 h LYS 159 CO 0.57 0.10 -0.20 0.27 -2.27 0.00 0.00 179.45 177.92 3m46 h PHE 160 N 0.15 0.00 0.00 1.91 -5.15 -1.91 0.13 116.94 112.08 3m46 h PHE 160 Ca 0.25 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.02 3m46 h PHE 160 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.94 3m46 h PHE 160 CO -0.00 0.20 0.11 0.00 -2.00 0.00 0.00 178.31 176.61 3m46 n ALA 161 N -2.45 0.86 1.34 12.09 0.00 -0.47 -0.63 120.51 131.25 3m46 n ALA 161 Ca -0.02 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.66 3m46 n ALA 161 Cb 0.27 -1.02 0.44 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.93 0.10 -1.62 0.00 3.72 0.47 -4.79 117.46 113.42 3m46 n PHE 162 Ca -0.01 -0.05 -0.16 0.00 -0.05 0.00 0.00 57.45 57.18 3m46 n PHE 162 Cb 0.13 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.77 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 1.17 -1.11 3.84 1.37 0.00 0.20 -4.94 105.19 105.73 3m46 n GLY 163 Ca 0.18 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.50 3.42 0.07 1.61 5.36 -1.26 -4.58 117.98 120.09 3m46 s PHE 164 Ca 0.41 1.40 -0.03 0.00 -0.96 0.00 0.00 56.93 57.75 3m46 s PHE 164 Cb -0.01 -2.72 -0.03 0.00 -0.34 0.00 0.00 43.02 39.92 3m46 s PHE 164 CO 0.29 -0.25 0.05 0.20 -1.46 0.00 0.00 175.22 174.05 3m46 s GLY 165 N -2.87 0.39 0.03 13.12 0.00 -0.70 -1.21 107.32 116.08 3m46 s GLY 165 Ca 0.58 -1.04 -0.14 0.00 0.00 0.00 0.00 44.72 44.11 3m46 s GLY 165 CO 0.27 -1.16 0.30 -0.86 0.00 0.00 0.00 173.10 171.66 3m46 s GLN 166 N -3.91 0.76 0.04 2.90 1.03 -1.05 -1.45 119.66 117.99 3m46 s GLN 166 Ca 0.08 -0.41 -0.28 0.00 0.04 0.00 0.00 55.36 54.79 3m46 s GLN 166 Cb 0.07 0.33 0.09 0.00 0.03 0.00 0.00 33.01 33.53 3m46 s GLN 166 CO -0.09 -0.24 0.92 -1.12 -2.54 0.00 0.00 175.29 172.22 3m46 s SER 167 N -1.83 -0.30 -0.09 12.60 0.01 -0.43 -0.09 113.70 123.57 3m46 s SER 167 Ca -0.08 -0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.02 3m46 s SER 167 Cb -0.02 0.41 0.05 0.00 0.21 0.00 0.00 66.02 66.67 3m46 s SER 167 CO -0.01 -0.70 0.18 -0.13 0.41 0.00 0.00 173.24 172.99 3m46 s ARG 168 N -3.15 0.07 -0.12 12.44 3.00 -1.26 -1.75 118.95 128.17 3m46 s ARG 168 Ca 0.07 0.55 -0.29 0.00 0.00 0.00 0.00 55.73 56.07 3m46 s ARG 168 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 34.95 34.68 3m46 s ARG 168 CO -0.05 -0.27 1.65 -0.46 0.00 0.00 0.00 175.30 176.16 3m46 s TRP 169 N 2.06 2.02 0.00 -0.53 -0.00 -0.82 -2.11 118.94 119.55 3m46 s TRP 169 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 56.10 56.45 3m46 s TRP 169 Cb -0.12 -3.93 0.00 0.00 -0.00 0.00 0.00 33.47 29.43 3m46 s TRP 169 CO -0.06 -3.48 0.00 0.41 -0.00 0.00 0.00 176.95 173.82 3m46 n GLY 170 N 4.36 3.96 3.65 5.86 0.00 -1.26 -1.95 105.19 119.81 3m46 n GLY 170 Ca 0.18 -0.80 -0.57 0.00 0.00 0.00 0.00 46.02 44.83 3m46 n GLY 170 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m46 n TYR 171 N 0.00 1.70 -0.13 1.61 4.01 -0.90 -4.86 117.16 118.59 3m46 n TYR 171 Ca 0.00 0.69 0.00 0.00 -0.16 0.00 0.00 57.90 58.43 3m46 n TYR 171 Cb 0.00 -2.35 0.00 0.00 -0.31 0.00 0.00 39.34 36.68 3m46 n TYR 171 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3m46 n THR 172 N 3.50 0.00 -4.42 -0.72 5.66 -1.26 -4.54 114.28 112.50 3m46 n THR 172 Ca 0.23 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.99 3m46 n THR 172 Cb 0.13 0.44 -0.11 0.00 -1.55 0.00 0.00 70.33 69.23 3m46 n THR 172 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3m46 s THR 173 N 0.00 2.28 0.46 1.09 -4.23 -1.26 -4.80 115.64 109.17 3m46 s THR 173 Ca 0.00 -2.12 0.30 0.00 -1.18 0.00 0.00 61.69 58.68 3m46 s THR 173 Cb 0.00 -2.12 0.50 0.00 1.34 0.00 0.00 72.50 72.21 3m46 s THR 173 CO 0.00 -0.24 1.69 0.11 -0.54 0.00 0.00 174.62 175.64 3m46 h LYS 174 N 2.93 0.15 0.03 3.99 1.57 -1.99 -1.40 116.57 121.84 3m46 h LYS 174 Ca -0.44 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.10 3m46 h LYS 174 Cb 1.22 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3m46 h LYS 174 CO 0.52 0.10 -1.01 1.49 -0.57 0.00 0.00 179.45 179.98 3m46 h GLU 175 N 0.15 0.41 0.06 3.15 4.81 -1.95 0.23 114.58 121.44 3m46 h GLU 175 Ca 0.72 -0.48 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3m46 h GLU 175 Cb 2.32 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 31.83 3m46 h GLU 175 CO -0.27 1.14 -0.11 -0.44 -0.73 0.00 0.00 179.01 178.61 3m46 h ASP 176 N 0.21 -0.29 -0.24 1.04 3.32 -1.66 -1.72 116.42 117.08 3m46 h ASP 176 Ca -0.10 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 3m46 h ASP 176 Cb 1.66 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.31 3m46 h ASP 176 CO 0.17 -0.16 -0.22 -0.26 -1.72 0.00 0.00 179.24 177.05 3m46 h PHE 177 N -0.21 0.80 -0.42 4.55 0.04 -1.32 -2.73 116.94 117.66 3m46 h PHE 177 Ca 0.02 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.58 3m46 h PHE 177 Cb 0.23 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3m46 h PHE 177 CO -0.14 0.87 0.12 0.00 -0.60 0.00 0.00 178.31 178.56 3m46 h ARG 178 N 0.62 0.61 0.00 1.51 3.08 -0.88 -2.41 114.38 116.91 3m46 h ARG 178 Ca 0.09 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3m46 h ARG 178 Cb 0.71 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3m46 h ARG 178 CO 0.05 0.54 -0.22 0.00 -1.07 0.00 0.00 179.97 179.27 3m46 h ALA 179 N 1.54 1.34 0.35 0.04 0.00 -1.00 -0.23 119.26 121.30 3m46 h ALA 179 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3m46 h ALA 179 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3m46 h ALA 179 CO -0.01 0.28 -0.17 0.28 0.00 0.00 0.00 179.25 179.63 3m46 h VAL 180 N 0.00 0.45 -0.87 0.00 2.07 -1.35 -2.14 116.25 114.41 3m46 h VAL 180 Ca -0.00 -0.71 0.12 0.00 0.82 0.00 0.00 66.70 66.93 3m46 h VAL 180 Cb 0.49 0.71 -0.14 0.00 -1.52 0.00 0.00 31.29 30.83 3m46 h VAL 180 CO 0.03 0.10 -0.44 0.00 0.02 0.00 0.00 177.57 177.28 3m46 h ALA 181 N -0.64 -0.12 -0.39 1.67 0.00 -1.30 -1.57 119.26 116.91 3m46 h ALA 181 Ca -0.05 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3m46 h ALA 181 Cb 0.52 1.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 3m46 h ALA 181 CO 0.08 -0.75 0.07 -0.22 0.00 0.00 0.00 179.25 178.43 3m46 h LYS 182 N -0.06 0.64 -0.57 0.00 3.64 -1.13 -0.35 116.57 118.74 3m46 h LYS 182 Ca 0.26 -0.17 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3m46 h LYS 182 Cb 0.55 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3m46 h LYS 182 CO -0.89 0.69 0.38 0.78 -2.27 0.00 0.00 179.45 178.14 3m46 h GLY 183 N 0.49 0.70 0.11 5.01 0.00 -0.79 -1.26 103.07 107.33 3m46 h GLY 183 Ca 0.12 -0.23 -0.24 0.00 0.00 0.00 0.00 47.33 46.97 3m46 h GLY 183 CO 0.01 0.19 -1.32 -0.97 0.00 0.00 0.00 176.54 174.45 3m46 h TYR 184 N 0.59 0.08 -0.41 5.60 -1.99 -1.18 -3.27 116.97 116.40 3m46 h TYR 184 Ca 0.24 -0.06 -0.13 0.00 2.00 0.00 0.00 58.73 60.78 3m46 h TYR 184 Cb 0.20 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 3m46 h TYR 184 CO -0.00 1.52 -0.26 0.00 -0.00 0.00 0.00 178.16 179.42 3m46 h ARG 185 N -0.83 0.89 -0.95 4.88 2.47 -1.04 -0.58 114.38 119.23 3m46 h ARG 185 Ca -0.35 -0.42 0.04 0.00 -1.26 0.00 0.00 59.98 57.99 3m46 h ARG 185 Cb 1.41 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.66 3m46 h ARG 185 CO -0.15 1.07 0.62 0.93 0.56 0.00 0.00 179.97 182.99 3m46 h GLU 186 N 0.71 1.16 -0.13 0.04 5.08 -1.42 -2.87 114.58 117.15 3m46 h GLU 186 Ca 0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3m46 h GLU 186 Cb 0.83 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3m46 h GLU 186 CO 0.07 0.77 0.00 0.09 -1.00 0.00 0.00 179.01 178.94 3m46 n ASN 187 N -4.48 1.71 -2.54 1.42 3.02 -1.11 -4.96 115.26 108.32 3m46 n ASN 187 Ca 0.12 -1.66 -0.19 0.00 -0.03 0.00 0.00 54.58 52.82 3m46 n ASN 187 Cb 0.09 -0.08 0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3m46 n ASN 187 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3m46 n HIS 188 N 0.34 -1.59 -2.98 3.10 8.25 -0.51 -4.98 115.22 116.85 3m46 n HIS 188 Ca 0.17 0.40 -0.42 0.00 -0.26 0.00 0.00 57.72 57.61 3m46 n HIS 188 Cb 0.35 -3.96 -0.05 0.00 1.12 0.00 0.00 29.99 27.45 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 -3.07 4.82 0.68 1.59 1.01 -0.34 -4.94 121.20 120.95 3m46 s ILE 189 Ca 0.23 1.12 -0.17 0.00 0.00 0.00 0.00 60.65 61.83 3m46 s ILE 189 Cb -0.10 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.26 3m46 s ILE 189 CO 0.29 -0.23 1.25 -2.16 0.00 0.00 0.00 174.94 174.08 3m46 s PRO 190 N 2.89 2.38 -0.29 2.79 0.05 -1.26 -4.57 135.00 137.00 3m46 s PRO 190 Ca 0.31 1.91 -0.26 0.00 0.05 0.00 0.00 61.00 63.01 3m46 s PRO 190 Cb -0.14 -1.84 0.17 0.00 0.05 0.00 0.00 34.50 32.73 3m46 s PRO 190 CO 0.12 -1.69 1.31 -1.50 0.05 0.00 0.00 177.00 175.30 3m46 s ILE 191 N -1.68 0.00 0.00 0.56 2.07 -1.08 -4.81 121.20 116.27 3m46 s ILE 191 Ca 0.78 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.02 3m46 s ILE 191 Cb -0.33 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.26 3m46 s ILE 191 CO 0.42 0.00 0.00 0.47 -1.91 0.00 0.00 174.94 173.92 3m46 n ASP 192 N 1.57 3.53 -3.95 4.50 8.00 -0.35 -4.63 116.55 125.22 3m46 n ASP 192 Ca -0.10 -0.04 -0.15 0.00 0.71 0.00 0.00 54.79 55.22 3m46 n ASP 192 Cb 0.57 0.78 -0.14 0.00 -0.02 0.00 0.00 41.12 42.31 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 -1.49 0.35 -0.16 -1.24 -1.94 -1.17 0.11 119.30 113.75 3m46 s MET 193 Ca 0.00 -0.17 0.01 0.00 -1.71 0.00 0.00 55.69 53.82 3m46 s MET 193 Cb 0.00 -0.32 0.02 0.00 2.01 0.00 0.00 34.83 36.53 3m46 s MET 193 CO 0.00 0.09 -0.19 0.42 -0.01 0.00 0.00 175.02 175.33 3m46 s ILE 194 N -0.15 1.91 0.10 2.53 1.01 -0.78 -2.52 121.20 123.30 3m46 s ILE 194 Ca 0.01 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 3m46 s ILE 194 Cb -0.02 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 3m46 s ILE 194 CO -0.00 0.52 0.98 -0.31 0.00 0.00 0.00 174.94 176.12 3m46 s TYR 195 N 1.23 3.78 -0.36 3.97 1.51 0.88 -1.31 117.35 127.05 3m46 s TYR 195 Ca 0.02 1.77 -0.12 0.00 -1.01 0.00 0.00 57.07 57.73 3m46 s TYR 195 Cb -0.14 -3.08 0.01 0.00 -0.11 0.00 0.00 41.96 38.64 3m46 s TYR 195 CO -0.10 0.10 0.22 -1.64 -1.11 0.00 0.00 175.55 173.03 3m46 s MET 196 N 0.08 3.16 0.20 -0.62 -1.94 -0.13 -4.51 119.30 115.54 3m46 s MET 196 Ca 0.48 -0.86 -0.03 0.00 -1.71 0.00 0.00 55.69 53.56 3m46 s MET 196 Cb -0.24 -3.76 0.05 0.00 2.01 0.00 0.00 34.83 32.89 3m46 s MET 196 CO 0.30 -0.57 0.27 -3.47 -0.01 0.00 0.00 175.02 171.54 3m46 n ASP 197 N 5.05 0.05 0.28 3.03 -0.08 -1.26 -1.36 116.55 122.27 3m46 n ASP 197 Ca -0.12 -1.11 0.19 0.00 -1.51 0.00 0.00 54.79 52.23 3m46 n ASP 197 Cb 0.48 -0.21 0.96 0.00 2.34 0.00 0.00 41.12 44.69 3m46 n ASP 197 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 3m46 h ILE 198 N -1.09 0.00 0.00 5.18 3.07 -1.92 -3.21 117.51 119.54 3m46 h ILE 198 Ca -0.09 -0.13 -0.02 0.00 1.55 0.00 0.00 64.86 66.17 3m46 h ILE 198 Cb 0.25 1.03 -0.00 0.00 -0.27 0.00 0.00 36.82 37.83 3m46 h ILE 198 CO 0.06 0.00 -0.09 0.44 -1.05 0.00 0.00 178.15 177.52 3m46 h ASP 199 N 0.00 0.00 1.03 2.16 3.32 -1.92 -2.64 116.42 118.37 3m46 h ASP 199 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m46 h ASP 199 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3m46 h ASP 199 CO 0.00 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 3m46 n TYR 200 N -3.37 0.89 -1.99 4.55 0.18 -1.21 -4.80 117.16 111.41 3m46 n TYR 200 Ca -0.01 0.31 -0.32 0.00 1.88 0.00 0.00 57.90 59.76 3m46 n TYR 200 Cb 0.26 -1.00 0.02 0.00 -0.38 0.00 0.00 39.34 38.23 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 -3.24 3.27 -0.06 -3.48 -1.94 -0.99 0.10 119.30 112.95 3m46 s MET 201 Ca 0.07 1.18 -0.30 0.00 -1.71 0.00 0.00 55.69 54.93 3m46 s MET 201 Cb 0.10 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.88 3m46 s MET 201 CO 0.48 -0.85 1.32 -1.14 -0.01 0.00 0.00 175.02 174.81 3m46 s GLN 202 N -4.19 4.28 -0.55 2.03 2.00 -1.26 -3.77 119.66 118.21 3m46 s GLN 202 Ca 0.63 1.81 -0.09 0.00 -2.00 0.00 0.00 55.36 55.71 3m46 s GLN 202 Cb -0.16 -3.65 0.01 0.00 0.80 0.00 0.00 33.01 30.01 3m46 s GLN 202 CO 0.39 -0.59 0.16 -0.25 -0.50 0.00 0.00 175.29 174.51 3m46 n ASP 203 N 5.77 -0.82 -2.55 6.67 8.00 -1.26 0.11 116.55 132.46 3m46 n ASP 203 Ca 0.13 -0.53 -0.17 0.00 0.71 0.00 0.00 54.79 54.93 3m46 n ASP 203 Cb 0.45 -0.64 -0.00 0.00 -0.02 0.00 0.00 41.12 40.90 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 -2.56 -1.37 -3.51 1.24 3.72 -1.25 -4.80 117.46 108.93 3m46 n PHE 204 Ca -0.08 0.08 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 3m46 n PHE 204 Cb 0.25 -3.29 -0.10 0.00 -0.94 0.00 0.00 39.48 35.40 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 -5.17 4.00 -0.17 -1.08 1.02 0.29 -4.67 119.74 113.96 3m46 s LYS 205 Ca 0.06 -0.14 -0.40 0.00 0.02 0.00 0.00 55.97 55.50 3m46 s LYS 205 Cb -0.03 -3.64 -0.17 0.00 -0.52 0.00 0.00 37.83 33.47 3m46 s LYS 205 CO 0.07 -0.18 1.53 -0.25 -0.92 0.00 0.00 175.35 175.60 3m46 n ASP 206 N 5.05 1.75 -1.27 2.83 8.00 -1.26 -1.78 116.55 129.87 3m46 n ASP 206 Ca -0.12 1.11 -0.07 0.00 0.71 0.00 0.00 54.79 56.42 3m46 n ASP 206 Cb 0.51 -1.10 0.02 0.00 -0.02 0.00 0.00 41.12 40.53 3m46 n ASP 206 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3m46 n PHE 207 N 3.91 -0.74 -4.19 1.24 3.72 -1.26 -4.94 117.46 115.19 3m46 n PHE 207 Ca 0.24 0.23 -0.14 0.00 -0.05 0.00 0.00 57.45 57.72 3m46 n PHE 207 Cb 0.12 -2.19 -0.11 0.00 -0.94 0.00 0.00 39.48 36.36 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 -2.87 0.98 0.09 4.37 -4.23 -0.73 -5.03 115.64 108.21 3m46 s THR 208 Ca 0.13 -1.75 0.09 0.00 -1.18 0.00 0.00 61.69 58.98 3m46 s THR 208 Cb -0.06 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.26 3m46 s THR 208 CO 0.16 -0.62 -0.25 0.68 -0.54 0.00 0.00 174.62 174.06 3m46 s VAL 209 N -2.70 2.04 -0.20 2.29 -7.23 -1.26 -4.03 120.40 109.29 3m46 s VAL 209 Ca 0.08 -1.53 -0.34 0.00 -1.81 0.00 0.00 61.98 58.39 3m46 s VAL 209 Cb -0.01 -1.79 -0.11 0.00 0.56 0.00 0.00 36.38 35.04 3m46 s VAL 209 CO -0.00 0.16 2.04 -3.20 -0.31 0.00 0.00 175.10 173.79 3m46 n ASN 210 N 1.34 2.96 -0.28 4.85 2.85 0.28 -4.18 115.26 123.08 3m46 n ASN 210 Ca -0.18 0.66 0.05 0.00 -0.11 0.00 0.00 54.58 55.00 3m46 n ASN 210 Cb 0.53 -1.36 0.28 0.00 1.24 0.00 0.00 39.78 40.46 3m46 n ASN 210 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3m46 h GLU 211 N 11.23 0.91 0.09 1.20 5.08 -1.89 -0.79 114.58 130.42 3m46 h GLU 211 Ca -0.40 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 57.68 3m46 h GLU 211 Cb 1.28 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 3m46 h GLU 211 CO 0.97 0.60 -1.10 -0.22 -1.00 0.00 0.00 179.01 178.27 3m46 h LYS 212 N 0.94 0.20 0.00 2.33 3.64 -1.99 -3.29 116.57 118.39 3m46 h LYS 212 Ca 0.39 -0.34 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 3m46 h LYS 212 Cb 0.28 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3m46 h LYS 212 CO -0.15 1.16 -0.94 -0.91 -2.27 0.00 0.00 179.45 176.34 3m46 h ASN 213 N -0.48 0.00 -2.18 4.20 2.35 -1.86 -3.40 115.58 114.21 3m46 h ASN 213 Ca -0.24 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.93 3m46 h ASN 213 Cb 1.59 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.56 3m46 h ASN 213 CO 0.04 0.42 -0.89 0.49 -1.65 0.00 0.00 177.43 175.85 3m46 n PHE 214 N -2.99 1.16 0.19 1.19 3.72 -0.30 -4.02 117.46 116.41 3m46 n PHE 214 Ca -0.03 -3.78 0.04 0.00 -0.05 0.00 0.00 57.45 53.62 3m46 n PHE 214 Cb 0.74 -0.37 0.44 0.00 -0.94 0.00 0.00 39.48 39.35 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 4.33 0.06 -1.98 -1.08 0.13 -1.72 -3.34 132.00 128.40 3m46 h PRO 215 Ca 0.14 -0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.74 3m46 h PRO 215 Cb 0.80 -0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.51 3m46 h PRO 215 CO 0.59 0.27 -0.95 -0.25 -0.23 0.00 0.00 178.00 177.43 3m46 n ASP 216 N -4.27 2.56 -0.03 1.44 8.00 -1.26 -4.97 116.55 118.03 3m46 n ASP 216 Ca -0.02 -3.29 -0.09 0.00 0.71 0.00 0.00 54.79 52.10 3m46 n ASP 216 Cb 0.28 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 3m46 n ASP 216 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3m46 h PHE 217 N 2.96 -0.13 -0.86 1.24 3.57 -1.98 0.23 116.94 121.97 3m46 h PHE 217 Ca 0.11 0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.84 3m46 h PHE 217 Cb 0.81 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 3m46 h PHE 217 CO 0.63 -0.10 0.59 -1.35 -2.23 0.00 0.00 178.31 175.86 3m46 h PRO 218 N -0.03 0.21 -0.08 6.41 0.11 -1.93 0.28 132.00 136.96 3m46 h PRO 218 Ca 0.09 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 3m46 h PRO 218 Cb 0.16 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 3m46 h PRO 218 CO -0.19 0.14 -0.06 1.49 -0.21 0.00 0.00 178.00 179.17 3m46 h GLU 219 N 0.21 0.19 -0.25 1.05 4.81 -0.88 -2.04 114.58 117.67 3m46 h GLU 219 Ca 0.43 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3m46 h GLU 219 Cb 1.36 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 3m46 h GLU 219 CO -0.10 0.59 0.17 0.35 -0.73 0.00 0.00 179.01 179.29 3m46 h PHE 220 N -0.21 0.31 -0.21 0.92 3.57 -0.53 -0.29 116.94 120.49 3m46 h PHE 220 Ca 0.02 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 3m46 h PHE 220 Cb 0.54 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 3m46 h PHE 220 CO 0.08 0.19 -0.13 0.28 -2.23 0.00 0.00 178.31 176.50 3m46 h VAL 221 N 0.33 1.31 -0.94 1.41 2.07 -1.00 -2.47 116.25 116.97 3m46 h VAL 221 Ca 0.09 -1.23 0.09 0.00 0.82 0.00 0.00 66.70 66.47 3m46 h VAL 221 Cb -0.03 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 3m46 h VAL 221 CO -0.02 0.38 0.60 0.50 0.02 0.00 0.00 177.57 179.05 3m46 h LYS 222 N 0.16 0.96 -0.99 1.57 1.63 -0.92 0.41 116.57 119.38 3m46 h LYS 222 Ca 0.04 -0.06 0.05 0.00 -0.85 0.00 0.00 60.65 59.84 3m46 h LYS 222 Cb 0.64 -0.22 -0.06 0.00 -0.60 0.00 0.00 32.23 32.00 3m46 h LYS 222 CO 0.04 0.63 0.65 1.49 -3.45 0.00 0.00 179.45 178.81 3m46 h GLU 223 N 0.99 1.18 0.16 1.90 4.81 -0.71 -1.74 114.58 121.17 3m46 h GLU 223 Ca 0.43 -0.07 -0.32 0.00 -0.13 0.00 0.00 59.36 59.27 3m46 h GLU 223 Cb 0.35 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 29.47 3m46 h GLU 223 CO -0.19 0.78 -1.59 0.52 -0.73 0.00 0.00 179.01 177.80 3m46 h MET 224 N 1.21 0.34 -0.98 1.92 2.86 -1.03 -3.32 114.93 115.93 3m46 h MET 224 Ca 0.41 -0.58 0.12 0.00 -2.06 0.00 0.00 59.70 57.59 3m46 h MET 224 Cb 0.08 0.22 -0.08 0.00 0.06 0.00 0.00 31.60 31.88 3m46 h MET 224 CO -0.15 1.28 0.62 -0.22 1.06 0.00 0.00 176.91 179.51 3m46 h LYS 225 N -0.06 0.92 -0.30 1.72 3.64 0.04 -0.23 116.57 122.29 3m46 h LYS 225 Ca -0.32 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 3m46 h LYS 225 Cb 1.96 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 33.56 3m46 h LYS 225 CO 0.14 0.61 0.12 -0.44 -2.27 0.00 0.00 179.45 177.60 3m46 h ASP 226 N 0.94 0.37 -0.22 4.20 3.32 -1.42 0.23 116.42 123.84 3m46 h ASP 226 Ca 0.48 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.50 3m46 h ASP 226 Cb 0.52 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3m46 h ASP 226 CO -0.25 0.34 0.01 0.00 -1.72 0.00 0.00 179.24 177.62 3m46 n GLN 227 N -4.42 2.42 -3.86 3.56 6.02 -0.75 -4.91 117.38 115.45 3m46 n GLN 227 Ca 0.01 -1.17 -0.25 0.00 -0.01 0.00 0.00 57.00 55.58 3m46 n GLN 227 Cb 0.13 -1.77 0.01 0.00 1.02 0.00 0.00 30.24 29.62 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 0.22 -4.37 -4.05 -1.09 -0.58 0.81 -4.99 120.64 106.59 3m46 n GLU 228 Ca 0.11 0.53 -0.32 0.00 -0.42 0.00 0.00 57.16 57.06 3m46 n GLU 228 Cb 0.62 -5.01 -0.16 0.00 -0.57 0.00 0.00 31.44 26.32 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 -6.92 2.46 -0.28 -4.62 1.43 -0.17 -4.41 118.68 106.16 3m46 s LEU 229 Ca 0.17 -0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 52.23 3m46 s LEU 229 Cb -0.09 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 3m46 s LEU 229 CO 0.85 -0.10 0.35 -0.13 0.23 0.00 0.00 176.35 177.54 3m46 s ARG 230 N 1.30 3.96 0.09 1.70 0.52 0.12 -2.73 118.95 123.90 3m46 s ARG 230 Ca -0.01 -0.06 -0.30 0.00 -0.52 0.00 0.00 55.73 54.84 3m46 s ARG 230 Cb -0.16 -3.67 -0.06 0.00 0.52 0.00 0.00 34.95 31.58 3m46 s ARG 230 CO -0.09 -0.29 1.20 -0.51 0.02 0.00 0.00 175.30 175.62 3m46 s LEU 231 N 2.03 4.39 -0.50 2.53 1.43 -1.26 -1.87 118.68 125.43 3m46 s LEU 231 Ca 0.14 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.33 3m46 s LEU 231 Cb -0.16 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.61 3m46 s LEU 231 CO 0.10 -0.45 0.26 -0.63 0.23 0.00 0.00 176.35 175.87 3m46 s ILE 232 N 0.83 2.21 0.37 -0.59 -1.09 -0.42 -4.40 121.20 118.10 3m46 s ILE 232 Ca 0.58 -3.11 -0.26 0.00 -2.23 0.00 0.00 60.65 55.63 3m46 s ILE 232 Cb -0.30 -2.53 -0.09 0.00 -1.58 0.00 0.00 42.46 37.96 3m46 s ILE 232 CO 0.31 -0.84 1.15 -2.84 -1.23 0.00 0.00 174.94 171.49 3m46 s PRO 233 N -0.12 4.23 0.38 2.79 0.02 -1.25 -0.95 135.00 140.10 3m46 s PRO 233 Ca 0.18 1.82 -0.22 0.00 0.02 0.00 0.00 61.00 62.80 3m46 s PRO 233 Cb -0.25 -2.81 -0.10 0.00 0.02 0.00 0.00 34.50 31.36 3m46 s PRO 233 CO -0.01 -0.16 0.92 -1.50 -0.33 0.00 0.00 177.00 175.93 3m46 s ILE 234 N -1.37 4.37 -0.02 2.83 2.07 -0.46 -2.53 121.20 126.09 3m46 s ILE 234 Ca 0.54 1.53 0.04 0.00 -1.41 0.00 0.00 60.65 61.35 3m46 s ILE 234 Cb -0.31 -3.72 -0.01 0.00 0.13 0.00 0.00 42.46 38.55 3m46 s ILE 234 CO 0.39 -0.16 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.48 3m46 s ILE 235 N -1.99 1.19 0.04 2.00 -1.09 0.59 -4.91 121.20 117.04 3m46 s ILE 235 Ca 0.57 -0.62 0.07 0.00 -2.23 0.00 0.00 60.65 58.45 3m46 s ILE 235 Cb -0.12 -1.01 -0.03 0.00 -1.58 0.00 0.00 42.46 39.72 3m46 s ILE 235 CO 0.17 0.34 -0.17 -1.81 -1.23 0.00 0.00 174.94 172.24 3m46 s ASP 236 N -0.14 3.88 0.24 3.58 1.01 -1.26 -1.95 116.67 122.03 3m46 s ASP 236 Ca 0.01 -0.41 -0.06 0.00 0.71 0.00 0.00 52.55 52.81 3m46 s ASP 236 Cb -0.08 -0.65 0.42 0.00 1.01 0.00 0.00 42.92 43.62 3m46 s ASP 236 CO 0.00 0.25 1.71 0.00 0.21 0.00 0.00 175.17 177.35 3m46 h ALA 237 N 4.48 0.94 -2.33 5.23 0.00 -1.82 -3.42 119.26 122.34 3m46 h ALA 237 Ca -0.48 0.13 -0.55 0.00 0.00 0.00 0.00 54.91 54.02 3m46 h ALA 237 Cb 1.16 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3m46 h ALA 237 CO 0.48 -0.27 0.47 0.20 0.00 0.00 0.00 179.25 180.13 3m46 s GLY 238 N -3.42 2.59 -0.28 0.00 0.00 -1.26 -4.21 107.32 100.74 3m46 s GLY 238 Ca -0.13 0.43 -0.13 0.00 0.00 0.00 0.00 44.72 44.90 3m46 s GLY 238 CO 0.75 1.81 0.28 0.14 0.00 0.00 0.00 173.10 176.08 3m46 s VAL 239 N 1.57 5.24 0.34 1.40 1.01 0.84 -4.81 120.40 125.99 3m46 s VAL 239 Ca 0.50 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 3m46 s VAL 239 Cb -0.19 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.45 3m46 s VAL 239 CO 0.22 0.18 1.52 1.17 0.00 0.00 0.00 175.10 178.19 3m46 n LYS 240 N 5.20 2.65 -2.41 2.72 4.81 -1.26 -1.66 118.16 128.21 3m46 n LYS 240 Ca -0.11 0.93 -0.43 0.00 -0.87 0.00 0.00 58.31 57.83 3m46 n LYS 240 Cb 0.51 -2.68 -0.02 0.00 0.02 0.00 0.00 35.03 32.86 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 -0.67 4.01 -0.26 3.15 1.01 0.18 -4.68 120.40 123.14 3m46 s VAL 241 Ca 0.58 1.06 -0.07 0.00 0.00 0.00 0.00 61.98 63.54 3m46 s VAL 241 Cb -0.49 -4.25 0.12 0.00 0.00 0.00 0.00 36.38 31.76 3m46 s VAL 241 CO 0.58 -0.72 0.53 -0.70 0.00 0.00 0.00 175.10 174.79 3m46 s GLU 242 N 4.67 0.46 0.02 2.72 2.12 -1.26 -4.91 118.70 122.52 3m46 s GLU 242 Ca 0.58 1.18 -0.38 0.00 0.36 0.00 0.00 54.97 56.71 3m46 s GLU 242 Cb -0.13 0.53 -0.18 0.00 0.26 0.00 0.00 34.13 34.61 3m46 s GLU 242 CO 0.30 -0.29 1.28 1.63 -0.54 0.00 0.00 175.26 177.64 3m46 n LYS 243 N 5.42 0.75 -0.85 4.30 4.76 -1.26 -1.50 118.16 129.78 3m46 n LYS 243 Ca -0.09 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 3m46 n LYS 243 Cb 0.49 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3m46 n LYS 243 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m46 n GLY 244 N 2.32 0.66 3.59 0.72 0.00 -1.26 -4.97 105.19 106.25 3m46 n GLY 244 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.95 3.07 0.31 1.61 5.04 -0.56 -4.94 117.35 118.93 3m46 s TYR 245 Ca 0.00 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.29 3m46 s TYR 245 Cb 0.00 -3.62 0.49 0.00 0.35 0.00 0.00 41.96 39.18 3m46 s TYR 245 CO 0.00 -0.83 1.90 1.49 -1.34 0.00 0.00 175.55 176.77 3m46 h GLU 246 N 8.55 0.83 -0.38 4.97 4.57 -1.93 0.18 114.58 131.37 3m46 h GLU 246 Ca -0.24 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 57.84 3m46 h GLU 246 Cb 1.08 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 3m46 h GLU 246 CO 0.97 0.67 0.23 0.28 -1.18 0.00 0.00 179.01 179.98 3m46 h VAL 247 N 0.83 1.06 -0.22 0.32 2.07 -1.92 0.12 116.25 118.51 3m46 h VAL 247 Ca 0.20 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3m46 h VAL 247 Cb 0.13 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3m46 h VAL 247 CO -0.02 0.09 0.03 0.22 0.02 0.00 0.00 177.57 177.91 3m46 h TYR 248 N 0.47 0.38 -0.68 1.57 3.20 -1.56 -2.03 116.97 118.33 3m46 h TYR 248 Ca 0.15 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.99 3m46 h TYR 248 Cb -0.01 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3m46 h TYR 248 CO -0.07 0.50 0.43 0.93 -1.64 0.00 0.00 178.16 178.31 3m46 h GLU 249 N 0.16 0.83 -0.75 1.82 4.39 -0.02 -0.68 114.58 120.33 3m46 h GLU 249 Ca 0.07 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 3m46 h GLU 249 Cb 0.32 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3m46 h GLU 249 CO 0.00 0.55 0.25 0.93 -1.16 0.00 0.00 179.01 179.58 3m46 h GLU 250 N 0.85 1.16 -0.33 2.33 5.08 -0.80 -2.43 114.58 120.44 3m46 h GLU 250 Ca 0.27 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3m46 h GLU 250 Cb -0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3m46 h GLU 250 CO -0.10 0.97 0.11 0.78 -1.00 0.00 0.00 179.01 179.78 3m46 h GLY 251 N 1.11 0.54 0.34 -3.84 0.00 -0.39 -2.16 103.07 98.66 3m46 h GLY 251 Ca 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3m46 h GLY 251 CO -0.01 0.29 -0.29 -2.08 0.00 0.00 0.00 176.54 174.45 3m46 h VAL 252 N 0.37 0.00 -0.88 4.60 2.07 -1.32 0.11 116.25 121.20 3m46 h VAL 252 Ca 0.11 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.80 3m46 h VAL 252 Cb 0.23 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.90 3m46 h VAL 252 CO -0.00 0.00 0.44 0.11 0.02 0.00 0.00 177.57 178.13 3m46 h LYS 253 N -0.61 0.53 -0.64 1.57 1.79 -1.29 -1.17 116.57 116.76 3m46 h LYS 253 Ca -0.04 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3m46 h LYS 253 Cb 0.52 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3m46 h LYS 253 CO -0.01 0.35 0.00 0.09 -1.08 0.00 0.00 179.45 178.80 3m46 n ASN 254 N -4.93 3.97 -3.16 0.86 3.02 -0.83 -4.96 115.26 109.23 3m46 n ASN 254 Ca 0.19 -2.29 -0.23 0.00 -0.03 0.00 0.00 54.58 52.22 3m46 n ASN 254 Cb 0.53 -0.51 0.02 0.00 -0.61 0.00 0.00 39.78 39.22 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 1.03 -5.27 -0.21 6.41 3.02 -0.44 -4.88 115.26 114.92 3m46 n ASN 255 Ca 0.22 -0.33 0.15 0.00 -0.03 0.00 0.00 54.58 54.59 3m46 n ASN 255 Cb 0.72 -4.28 0.76 0.00 -0.61 0.00 0.00 39.78 36.38 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 -4.32 0.00 -3.36 3.10 4.01 0.37 -4.93 117.16 112.04 3m46 n TYR 256 Ca -0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.47 3m46 n TYR 256 Cb 0.59 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.61 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 -2.01 2.80 0.01 -0.72 0.08 -1.25 -0.28 117.98 116.62 3m46 s PHE 257 Ca 0.43 -0.41 -0.30 0.00 0.12 0.00 0.00 56.93 56.77 3m46 s PHE 257 Cb 0.22 -2.20 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 3m46 s PHE 257 CO 0.36 -0.20 1.01 0.00 -0.10 0.00 0.00 175.22 176.28 3m46 s LYS 259 N 1.04 2.60 0.63 0.00 1.02 -1.22 -1.03 119.74 122.78 3m46 s LYS 259 Ca 0.53 -1.41 -0.07 0.00 0.02 0.00 0.00 55.97 55.04 3m46 s LYS 259 Cb -0.22 -2.39 0.14 0.00 -0.52 0.00 0.00 37.83 34.84 3m46 s LYS 259 CO 0.28 0.02 0.86 0.54 -0.92 0.00 0.00 175.35 176.13 3m46 n ARG 260 N -1.37 -0.48 -0.16 1.68 1.74 0.77 -0.63 116.66 118.21 3m46 n ARG 260 Ca -0.01 -1.71 -0.01 0.00 -0.77 0.00 0.00 57.85 55.36 3m46 n ARG 260 Cb 0.61 -0.76 0.23 0.00 -1.02 0.00 0.00 32.46 31.51 3m46 n ARG 260 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 3m46 h GLU 261 N 0.00 0.88 0.00 5.56 4.11 -1.89 -2.00 114.58 121.23 3m46 h GLU 261 Ca -0.28 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.03 3m46 h GLU 261 Cb 0.87 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3m46 h GLU 261 CO 0.24 0.69 0.00 -0.40 0.07 0.00 0.00 179.01 179.61 3m46 n ASP 262 N -4.35 0.00 0.00 3.06 5.75 -1.26 -4.89 116.55 114.87 3m46 n ASP 262 Ca 0.06 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.44 3m46 n ASP 262 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 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 0.47 2.72 3.77 6.12 0.00 -0.75 -5.05 105.19 112.47 3m46 n GLY 263 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.45 5.78 0.03 1.61 1.04 -1.26 -4.67 113.70 114.78 3m46 s SER 264 Ca 0.00 2.29 -0.30 0.00 0.48 0.00 0.00 55.95 58.42 3m46 s SER 264 Cb 0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 3m46 s SER 264 CO 0.00 -1.19 1.33 -1.81 0.98 0.00 0.00 173.24 172.55 3m46 s ASP 265 N -1.54 6.92 0.48 7.02 1.01 -1.26 -0.16 116.67 129.14 3m46 s ASP 265 Ca 0.70 2.09 -0.24 0.00 0.71 0.00 0.00 52.55 55.81 3m46 s ASP 265 Cb -0.28 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.02 3m46 s ASP 265 CO 0.32 -0.63 1.39 0.12 0.21 0.00 0.00 175.17 176.57 3m46 s PHE 266 N 1.84 2.42 -0.06 4.23 5.36 -0.20 -4.81 117.98 126.76 3m46 s PHE 266 Ca 0.62 1.32 0.03 0.00 -0.96 0.00 0.00 56.93 57.94 3m46 s PHE 266 Cb -0.31 -3.85 -0.03 0.00 -0.34 0.00 0.00 43.02 38.49 3m46 s PHE 266 CO 0.27 -2.85 -0.14 0.08 -1.46 0.00 0.00 175.22 171.12 3m46 s VAL 267 N -1.25 3.09 -0.13 3.12 1.01 -1.26 -4.21 120.40 120.77 3m46 s VAL 267 Ca 0.65 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 3m46 s VAL 267 Cb -0.42 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 33.78 3m46 s VAL 267 CO 0.52 0.59 0.34 0.00 0.00 0.00 0.00 175.10 176.55 3m46 s ALA 268 N -0.66 -0.85 -0.23 5.51 0.00 -0.34 -4.09 121.76 121.10 3m46 s ALA 268 Ca 0.10 1.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.95 3m46 s ALA 268 Cb -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3m46 s ALA 268 CO 0.01 -0.18 0.39 0.00 0.00 0.00 0.00 175.76 175.98 3m46 s ALA 269 N 0.46 3.56 0.00 0.00 0.00 0.13 -0.88 121.76 125.04 3m46 s ALA 269 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3m46 s ALA 269 Cb -0.04 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.42 3m46 s ALA 269 CO -0.02 -0.43 0.00 0.28 0.00 0.00 0.00 175.76 175.59 3m46 n VAL 270 N 4.61 0.00 -0.26 0.00 0.31 -0.57 -0.69 118.33 121.73 3m46 n VAL 270 Ca -0.08 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.27 3m46 n VAL 270 Cb 0.51 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.55 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 -0.31 0.00 3.52 -0.00 -1.96 -0.34 115.95 116.86 3m46 h TRP 271 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 58.89 58.95 3m46 h TRP 271 Cb 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 29.16 29.42 3m46 h TRP 271 CO 0.00 -0.31 0.00 -2.30 -0.00 0.00 0.00 178.44 175.83 3m46 n PRO 272 N -5.46 0.91 0.00 0.49 -0.02 -1.26 -5.00 135.00 124.66 3m46 n PRO 272 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3m46 n PRO 272 Cb 0.41 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 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 0.44 0.63 3.70 -1.23 0.00 -0.14 -4.88 105.19 103.71 3m46 n GLY 273 Ca 0.01 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 6.43 0.06 1.61 1.11 -1.26 -1.51 116.67 119.11 3m46 s ASP 274 Ca 0.00 2.76 -0.00 0.00 0.18 0.00 0.00 52.55 55.49 3m46 s ASP 274 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 3m46 s ASP 274 CO 0.00 -0.98 -0.04 0.42 1.18 0.00 0.00 175.17 175.74 3m46 s THR 275 N 2.36 0.36 0.24 -1.27 -4.23 -0.06 0.47 115.64 113.51 3m46 s THR 275 Ca 0.79 -1.79 0.08 0.00 -1.18 0.00 0.00 61.69 59.58 3m46 s THR 275 Cb -0.46 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 3m46 s THR 275 CO 0.35 -0.93 0.10 -1.00 -0.54 0.00 0.00 174.62 172.60 3m46 s HIS 276 N -3.68 2.93 -0.23 3.99 3.76 -0.67 -1.20 115.29 120.19 3m46 s HIS 276 Ca 0.07 -0.15 -0.09 0.00 -0.15 0.00 0.00 55.06 54.74 3m46 s HIS 276 Cb 0.06 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.38 3m46 s HIS 276 CO -0.08 0.56 0.12 -0.06 -0.85 0.00 0.00 174.74 174.42 3m46 s PHE 277 N -2.14 3.24 0.17 1.40 0.08 -1.26 -0.11 117.98 119.36 3m46 s PHE 277 Ca 0.32 0.04 -0.34 0.00 0.12 0.00 0.00 56.93 57.07 3m46 s PHE 277 Cb -0.08 -2.22 -0.15 0.00 -0.57 0.00 0.00 43.02 40.01 3m46 s PHE 277 CO 0.22 -0.01 1.43 -2.30 -0.10 0.00 0.00 175.22 174.46 3m46 n PRO 278 N 4.26 1.78 -2.04 0.24 -0.02 -1.26 -1.17 135.00 136.79 3m46 n PRO 278 Ca -0.16 0.64 -0.27 0.00 -2.02 0.00 0.00 63.50 61.69 3m46 n PRO 278 Cb 0.52 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3m46 n PRO 278 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3m46 s ASP 279 N 0.54 5.01 0.00 2.55 -1.08 0.62 -4.72 116.67 119.59 3m46 s ASP 279 Ca 0.76 -1.23 0.09 0.00 -0.52 0.00 0.00 52.55 51.65 3m46 s ASP 279 Cb -0.75 -2.58 0.49 0.00 -1.46 0.00 0.00 42.92 38.62 3m46 s ASP 279 CO 0.45 -3.01 1.07 0.23 0.52 0.00 0.00 175.17 174.43 3m46 n MET 280 N 8.51 0.20 -0.00 4.34 2.81 -1.26 -1.39 117.12 130.33 3m46 n MET 280 Ca 0.43 0.11 0.04 0.00 -1.81 0.00 0.00 57.70 56.47 3m46 n MET 280 Cb 0.47 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.42 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 -1.15 0.23 -4.65 4.03 4.32 -1.26 -4.69 117.00 113.82 3m46 n LEU 281 Ca 0.05 -0.27 -0.43 0.00 -0.02 0.00 0.00 56.01 55.35 3m46 n LEU 281 Cb 0.05 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.83 3m46 n LEU 281 CO 0.06 0.06 1.23 0.21 -1.22 0.00 0.00 177.39 177.73 3m46 s ASN 282 N -2.39 6.75 0.37 -1.43 3.04 -0.48 -4.75 114.94 116.05 3m46 s ASN 282 Ca 0.00 1.87 0.05 0.00 0.04 0.00 0.00 52.86 54.82 3m46 s ASN 282 Cb 0.06 -2.54 0.73 0.00 -1.54 0.00 0.00 41.25 37.97 3m46 s ASN 282 CO 0.37 -0.90 2.00 -0.65 -3.04 0.00 0.00 177.10 174.88 3m46 h PRO 283 N 9.10 0.64 -0.44 0.43 0.11 -1.85 0.24 132.00 140.22 3m46 h PRO 283 Ca -0.32 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.68 3m46 h PRO 283 Cb 1.14 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3m46 h PRO 283 CO 0.97 0.47 0.06 0.93 -0.21 0.00 0.00 178.00 180.21 3m46 h GLU 284 N 0.65 0.74 -0.38 1.05 4.39 -1.93 -0.92 114.58 118.18 3m46 h GLU 284 Ca 0.17 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 3m46 h GLU 284 Cb 0.01 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3m46 h GLU 284 CO -0.03 0.77 -0.35 0.00 -1.16 0.00 0.00 179.01 178.24 3m46 h ALA 285 N 0.94 0.66 -0.94 3.43 0.00 -1.72 -1.84 119.26 119.79 3m46 h ALA 285 Ca 0.13 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.65 3m46 h ALA 285 Cb 0.40 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3m46 h ALA 285 CO 0.01 0.67 0.62 0.00 0.00 0.00 0.00 179.25 180.55 3m46 h ARG 286 N 0.73 1.11 -0.50 0.00 3.08 -0.89 0.76 114.38 118.68 3m46 h ARG 286 Ca 0.07 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3m46 h ARG 286 Cb 0.92 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3m46 h ARG 286 CO 0.09 0.74 0.31 -0.22 -1.07 0.00 0.00 179.97 179.81 3m46 h LYS 287 N 1.15 0.60 -0.05 0.04 3.11 -0.47 -0.36 116.57 120.58 3m46 h LYS 287 Ca 0.39 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 58.12 3m46 h LYS 287 Cb 0.08 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 3m46 h LYS 287 CO -0.13 0.39 -0.24 2.35 -2.81 0.00 0.00 179.45 179.01 3m46 h TRP 288 N 0.61 0.34 0.18 1.91 7.01 -1.02 -2.36 115.95 122.63 3m46 h TRP 288 Ca 0.19 -0.15 0.01 0.00 2.11 0.00 0.00 58.89 61.05 3m46 h TRP 288 Cb -0.01 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 3m46 h TRP 288 CO -0.06 0.87 -0.21 0.35 -2.79 0.00 0.00 178.44 176.60 3m46 h PHE 289 N -0.28 -0.55 -0.93 2.65 3.57 -0.75 -2.29 116.94 118.36 3m46 h PHE 289 Ca -0.02 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.61 3m46 h PHE 289 Cb 0.90 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.77 3m46 h PHE 289 CO 0.14 -0.31 0.56 0.78 -2.23 0.00 0.00 178.31 177.25 3m46 h GLY 290 N -0.43 1.51 1.81 2.40 0.00 -1.12 -1.33 103.07 105.91 3m46 h GLY 290 Ca 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3m46 h GLY 290 CO -0.07 0.12 0.04 -0.55 0.00 0.00 0.00 176.54 176.08 3m46 h ASP 291 N 0.88 0.22 -0.01 0.19 5.19 -1.06 -2.26 116.42 119.57 3m46 h ASP 291 Ca 0.47 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 3m46 h ASP 291 Cb 0.49 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 3m46 h ASP 291 CO -0.28 0.24 0.04 0.11 -3.12 0.00 0.00 179.24 176.23 3m46 h LYS 292 N 0.25 0.00 0.00 3.56 1.79 -0.68 -1.61 116.57 119.89 3m46 h LYS 292 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3m46 h LYS 292 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3m46 h LYS 292 CO -0.00 0.00 0.00 0.66 -1.08 0.00 0.00 179.45 179.03 3m46 n TYR 293 N -3.32 0.37 -0.12 -1.35 4.02 -0.85 -2.53 117.16 113.38 3m46 n TYR 293 Ca -0.03 0.19 -0.09 0.00 -0.01 0.00 0.00 57.90 57.97 3m46 n TYR 293 Cb 0.11 -0.81 0.05 0.00 -0.02 0.00 0.00 39.34 38.67 3m46 n TYR 293 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3m46 h ARG 294 N 0.00 0.88 -1.00 -0.72 2.43 -1.50 -1.08 114.38 113.39 3m46 h ARG 294 Ca 0.00 -0.36 0.40 0.00 -0.81 0.00 0.00 59.98 59.21 3m46 h ARG 294 Cb 0.01 -0.04 -0.18 0.00 -0.42 0.00 0.00 29.97 29.34 3m46 h ARG 294 CO 0.00 1.00 0.49 0.35 -1.51 0.00 0.00 179.97 180.30 3m46 h PHE 295 N 0.76 0.74 0.03 2.20 3.57 -1.71 0.13 116.94 122.66 3m46 h PHE 295 Ca 0.10 0.04 -0.37 0.00 3.53 0.00 0.00 57.97 61.28 3m46 h PHE 295 Cb 0.75 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 3m46 h PHE 295 CO 0.04 -0.46 -2.11 1.28 -2.23 0.00 0.00 178.31 174.83 3m46 n LEU 296 N -5.27 2.40 -0.22 0.59 4.77 -0.51 -3.95 117.00 114.80 3m46 n LEU 296 Ca 0.36 0.19 0.02 0.00 -0.03 0.00 0.00 56.01 56.56 3m46 n LEU 296 Cb 1.22 -0.96 0.12 0.00 -2.33 0.00 0.00 43.42 41.47 3m46 n LEU 296 CO 0.01 0.68 0.84 0.40 -1.33 0.00 0.00 177.39 178.00 3m46 h ILE 297 N -0.45 0.46 0.00 -0.08 2.04 -1.18 -0.27 117.51 118.04 3m46 h ILE 297 Ca -0.52 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3m46 h ILE 297 Cb 1.74 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3m46 h ILE 297 CO -0.15 0.02 0.00 0.44 0.00 0.00 0.00 178.15 178.46 3m46 h ASP 298 N 0.13 0.00 -0.16 1.72 3.32 -1.12 -0.56 116.42 119.75 3m46 h ASP 298 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3m46 h ASP 298 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3m46 h ASP 298 CO -0.55 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 176.97 3m46 n GLN 299 N -2.48 2.31 0.00 3.56 6.02 -0.13 -4.93 117.38 121.73 3m46 n GLN 299 Ca -0.02 -1.93 0.00 0.00 -0.01 0.00 0.00 57.00 55.04 3m46 n GLN 299 Cb 0.05 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.83 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 1.38 1.01 3.79 1.08 0.00 -0.22 -4.52 105.19 107.71 3m46 n GLY 300 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 4.39 0.00 -0.61 -1.09 -1.11 -4.95 121.20 115.83 3m46 s ILE 301 Ca 0.00 1.60 0.00 0.00 -2.23 0.00 0.00 60.65 60.02 3m46 s ILE 301 Cb 0.00 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 3m46 s ILE 301 CO 0.00 0.35 0.57 -0.62 -1.23 0.00 0.00 174.94 174.01 3m46 n GLU 302 N 1.12 0.64 -3.53 2.79 1.02 -1.26 -4.33 120.64 117.08 3m46 n GLU 302 Ca -0.03 -0.73 -0.15 0.00 -0.02 0.00 0.00 57.16 56.23 3m46 n GLU 302 Cb 0.50 -0.82 -0.06 0.00 -0.02 0.00 0.00 31.44 31.04 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 -0.32 -0.48 0.19 0.62 0.00 -1.26 -2.46 107.32 103.61 3m46 s GLY 303 Ca 0.00 1.50 -0.00 0.00 0.00 0.00 0.00 44.72 46.22 3m46 s GLY 303 CO 0.00 0.94 0.08 -1.36 0.00 0.00 0.00 173.10 172.76 3m46 s PHE 304 N -1.29 1.18 -0.01 1.90 0.08 -0.00 -3.83 117.98 116.01 3m46 s PHE 304 Ca -0.07 -1.24 0.01 0.00 0.12 0.00 0.00 56.93 55.75 3m46 s PHE 304 Cb -0.00 -0.64 0.00 0.00 -0.57 0.00 0.00 43.02 41.81 3m46 s PHE 304 CO 0.06 -0.47 -0.03 1.67 -0.10 0.00 0.00 175.22 176.35 3m46 s TRP 305 N -3.96 0.34 -0.23 0.36 1.48 -1.05 -2.82 118.94 113.06 3m46 s TRP 305 Ca 0.32 -0.06 -0.11 0.00 -1.06 0.00 0.00 56.10 55.20 3m46 s TRP 305 Cb 0.07 -0.25 -0.05 0.00 -1.16 0.00 0.00 33.47 32.08 3m46 s TRP 305 CO 0.08 -0.03 0.18 -0.80 -4.06 0.00 0.00 176.95 172.33 3m46 s ASN 306 N 0.08 6.17 0.39 -2.66 0.02 -0.69 -0.30 114.94 117.96 3m46 s ASN 306 Ca -0.00 0.18 0.08 0.00 -1.02 0.00 0.00 52.86 52.09 3m46 s ASN 306 Cb -0.03 -2.11 -0.05 0.00 0.02 0.00 0.00 41.25 39.07 3m46 s ASN 306 CO -0.00 0.08 0.14 -0.62 0.02 0.00 0.00 177.10 176.71 3m46 s ASP 307 N 0.91 4.40 -0.40 -1.22 -1.08 -0.82 -1.62 116.67 116.83 3m46 s ASP 307 Ca 0.09 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.08 3m46 s ASP 307 Cb -0.13 -0.52 0.00 0.00 -1.46 0.00 0.00 42.92 40.81 3m46 s ASP 307 CO 0.04 -0.46 0.00 0.23 0.52 0.00 0.00 175.17 175.50 3m46 n MET 308 N -1.17 -1.63 -0.17 4.34 2.81 -1.26 -3.71 117.12 116.34 3m46 n MET 308 Ca -0.02 0.58 -0.03 0.00 -1.81 0.00 0.00 57.70 56.42 3m46 n MET 308 Cb 0.64 -4.87 0.03 0.00 -0.71 0.00 0.00 33.22 28.31 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 -0.87 2.89 -0.07 7.83 0.23 -1.26 -1.19 115.26 122.82 3m46 n ASN 309 Ca -0.04 -2.22 -0.14 0.00 -0.53 0.00 0.00 54.58 51.66 3m46 n ASN 309 Cb 0.47 -0.55 -0.02 0.00 -2.08 0.00 0.00 39.78 37.60 3m46 n ASN 309 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3m46 h GLU 310 N 0.21 0.84 -6.37 -3.83 3.07 -1.91 -1.96 114.58 104.63 3m46 h GLU 310 Ca 0.08 -0.51 -0.55 0.00 -0.50 0.00 0.00 59.36 57.88 3m46 h GLU 310 Cb 1.19 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.11 3m46 h GLU 310 CO 0.15 1.15 -0.04 -1.25 -1.40 0.00 0.00 179.01 177.62 3m46 s PRO 311 N -4.16 4.06 0.29 2.33 0.04 -1.26 -4.62 135.00 131.67 3m46 s PRO 311 Ca -0.10 0.60 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 3m46 s PRO 311 Cb 0.11 -2.94 -0.10 0.00 0.04 0.00 0.00 34.50 31.61 3m46 s PRO 311 CO 0.88 0.47 1.28 0.00 0.04 0.00 0.00 177.00 179.68 3m46 s ALA 312 N -1.45 3.50 -0.17 8.56 0.00 -0.33 -4.91 121.76 126.95 3m46 s ALA 312 Ca 0.38 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.52 3m46 s ALA 312 Cb -0.16 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.54 3m46 s ALA 312 CO 0.19 -0.55 -0.12 0.42 0.00 0.00 0.00 175.76 175.71 3m46 s ILE 313 N -0.77 1.57 0.20 0.00 1.01 -1.26 -4.88 121.20 117.06 3m46 s ILE 313 Ca 0.51 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 3m46 s ILE 313 Cb -0.38 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.53 3m46 s ILE 313 CO 0.47 0.30 1.59 -0.26 0.00 0.00 0.00 174.94 177.03 3m46 h PHE 314 N 8.02 0.92 -1.13 3.97 0.04 -1.23 0.87 116.94 128.40 3m46 h PHE 314 Ca -0.32 -0.23 0.24 0.00 2.80 0.00 0.00 57.97 60.45 3m46 h PHE 314 Cb 1.12 -0.21 -0.26 0.00 2.20 0.00 0.00 35.95 38.79 3m46 h PHE 314 CO 0.49 0.98 0.91 1.52 -0.60 0.00 0.00 178.31 181.61 3m46 s TYR 315 N -4.52 -0.07 0.75 -0.55 -0.85 -1.23 -4.18 117.35 106.70 3m46 s TYR 315 Ca -0.10 0.11 -0.04 0.00 -0.52 0.00 0.00 57.07 56.53 3m46 s TYR 315 Cb 0.12 0.49 0.13 0.00 0.38 0.00 0.00 41.96 43.08 3m46 s TYR 315 CO 0.85 -0.07 1.04 -1.54 -1.52 0.00 0.00 175.55 174.30 3m46 s SER 316 N -1.19 4.25 0.20 -0.18 1.04 -1.26 0.22 113.70 116.78 3m46 s SER 316 Ca 0.08 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.28 3m46 s SER 316 Cb -0.01 -0.25 0.13 0.00 0.10 0.00 0.00 66.02 65.98 3m46 s SER 316 CO -0.06 -1.93 1.76 0.28 0.98 0.00 0.00 173.24 174.26 3m46 h SER 317 N -0.69 1.01 0.05 7.02 0.02 -1.97 -2.29 113.55 116.70 3m46 h SER 317 Ca -0.39 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.38 3m46 h SER 317 Cb 1.27 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3m46 h SER 317 CO 0.43 0.92 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.68 3m46 h GLU 318 N 1.05 -0.06 -0.78 3.45 3.07 -1.95 -2.58 114.58 116.78 3m46 h GLU 318 Ca 0.24 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.22 3m46 h GLU 318 Cb 0.23 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.10 3m46 h GLU 318 CO -0.02 0.49 0.51 0.78 -1.40 0.00 0.00 179.01 179.37 3m46 h GLY 319 N -0.66 0.93 0.90 -3.84 0.00 -1.96 -1.82 103.07 96.63 3m46 h GLY 319 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3m46 h GLY 319 CO 0.01 0.12 0.07 -2.00 0.00 0.00 0.00 176.54 174.74 3m46 h LEU 320 N 0.61 0.49 -1.37 3.11 6.46 -1.33 -1.63 115.31 121.64 3m46 h LEU 320 Ca 0.37 -0.24 -0.05 0.00 -0.12 0.00 0.00 57.88 57.84 3m46 h LEU 320 Cb 0.60 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 3m46 h LEU 320 CO -0.14 0.60 -0.07 0.00 -0.62 0.00 0.00 178.44 178.22 3m46 h ALA 321 N 0.90 1.49 -0.39 1.25 0.00 -1.00 -2.44 119.26 119.07 3m46 h ALA 321 Ca 0.10 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3m46 h ALA 321 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3m46 h ALA 321 CO 0.00 0.36 -0.04 0.93 0.00 0.00 0.00 179.25 180.51 3m46 h GLU 322 N 0.32 0.71 -0.28 0.00 5.08 -1.02 -0.81 114.58 118.58 3m46 h GLU 322 Ca 0.07 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3m46 h GLU 322 Cb 0.33 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3m46 h GLU 322 CO 0.01 0.83 0.11 0.00 -1.00 0.00 0.00 179.01 178.96 3m46 h ALA 323 N 0.86 0.32 -0.27 3.43 0.00 -0.90 -0.76 119.26 121.95 3m46 h ALA 323 Ca 0.11 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3m46 h ALA 323 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3m46 h ALA 323 CO 0.03 -0.29 -0.25 0.87 0.00 0.00 0.00 179.25 179.61 3m46 h LYS 324 N 0.24 0.52 0.09 0.00 1.57 -1.39 0.67 116.57 118.27 3m46 h LYS 324 Ca 0.12 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3m46 h LYS 324 Cb 0.08 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3m46 h LYS 324 CO -0.11 0.73 -0.47 1.49 -0.57 0.00 0.00 179.45 180.51 3m46 h GLU 325 N 0.46 -0.66 0.00 3.15 4.57 -0.62 0.15 114.58 121.62 3m46 h GLU 325 Ca 0.07 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 3m46 h GLU 325 Cb 0.68 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 3m46 h GLU 325 CO 0.05 -0.44 -0.19 0.35 -1.18 0.00 0.00 179.01 177.60 3m46 h PHE 326 N -0.68 0.00 -0.28 0.92 3.57 -0.45 -0.90 116.94 119.12 3m46 h PHE 326 Ca 0.02 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 3m46 h PHE 326 Cb 0.71 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3m46 h PHE 326 CO -0.42 0.19 -0.15 0.00 -2.23 0.00 0.00 178.31 175.70 3m46 h ALA 327 N 1.81 0.39 -0.02 2.41 0.00 0.81 -2.24 119.26 122.42 3m46 h ALA 327 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3m46 h ALA 327 Cb 0.45 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3m46 h ALA 327 CO 0.02 0.28 -0.53 0.78 0.00 0.00 0.00 179.25 179.81 3m46 h GLY 328 N 0.33 -1.13 0.24 0.00 0.00 0.64 -0.02 103.07 103.13 3m46 h GLY 328 Ca 0.06 0.67 0.13 0.00 0.00 0.00 0.00 47.33 48.19 3m46 h GLY 328 CO 0.04 -0.23 0.32 0.83 0.00 0.00 0.00 176.54 177.51 3m46 h GLU 329 N -0.65 0.48 0.35 4.80 5.08 -1.35 -2.71 114.58 120.59 3m46 h GLU 329 Ca 0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3m46 h GLU 329 Cb 0.70 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3m46 h GLU 329 CO -0.37 0.32 -0.17 0.35 -1.00 0.00 0.00 179.01 178.14 3m46 h PHE 330 N 0.50 -0.44 0.00 4.33 3.57 -0.77 -2.15 116.94 121.98 3m46 h PHE 330 Ca 0.40 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3m46 h PHE 330 Cb 0.56 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.44 3m46 h PHE 330 CO -0.14 -0.18 0.02 0.00 -2.23 0.00 0.00 178.31 175.77 3m46 h ALA 331 N -0.03 1.02 -0.00 2.41 0.00 -0.73 -2.09 119.26 119.83 3m46 h ALA 331 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3m46 h ALA 331 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3m46 h ALA 331 CO 0.08 -0.02 -0.32 1.63 0.00 0.00 0.00 179.25 180.62 3m46 n LYS 332 N -2.78 2.85 -2.01 0.00 5.02 -1.05 -4.98 118.16 115.21 3m46 n LYS 332 Ca -0.02 -0.34 -0.42 0.00 -2.02 0.00 0.00 58.31 55.51 3m46 n LYS 332 Cb 0.08 -1.03 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 3m46 n LYS 332 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3m46 s ASP 333 N -1.61 6.65 0.00 4.39 -1.08 -0.79 -4.91 116.67 119.33 3m46 s ASP 333 Ca 0.06 2.63 0.00 0.00 -0.52 0.00 0.00 52.55 54.72 3m46 s ASP 333 Cb 0.08 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 3m46 s ASP 333 CO 0.32 -0.72 0.00 0.35 0.52 0.00 0.00 175.17 175.63 3m46 n THR 334 N 2.84 0.00 1.81 1.71 -2.24 -1.26 -4.70 114.28 112.44 3m46 n THR 334 Ca 0.09 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.00 3m46 n THR 334 Cb 0.40 0.08 0.72 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.16 1.23 -2.43 -0.78 -0.58 -1.26 -4.91 120.64 110.75 3m46 n GLU 335 Ca 0.00 -0.33 -0.13 0.00 -0.42 0.00 0.00 57.16 56.28 3m46 n GLU 335 Cb 0.09 -1.45 0.01 0.00 -0.57 0.00 0.00 31.44 29.52 3m46 n GLU 335 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m46 n GLY 336 N 1.01 -0.11 0.07 0.62 0.00 -1.26 -4.97 105.19 100.56 3m46 n GLY 336 Ca 0.20 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 3m46 n GLY 336 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m46 h LYS 337 N -0.34 -0.06 -4.51 1.61 1.57 -1.92 -3.41 116.57 109.51 3m46 h LYS 337 Ca -0.31 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 57.76 3m46 h LYS 337 Cb 1.22 0.01 -0.22 0.00 0.08 0.00 0.00 32.23 33.32 3m46 h LYS 337 CO 0.35 0.34 -0.45 0.42 -0.57 0.00 0.00 179.45 179.54 3m46 s ILE 338 N -4.53 5.03 0.62 1.86 1.01 -1.26 -5.08 121.20 118.84 3m46 s ILE 338 Ca -0.15 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 3m46 s ILE 338 Cb 0.02 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3m46 s ILE 338 CO 0.65 -0.31 1.03 -1.00 0.00 0.00 0.00 174.94 175.31 3m46 s HIS 339 N 1.63 3.61 0.14 3.97 3.76 -1.26 -4.96 115.29 122.18 3m46 s HIS 339 Ca 0.04 1.30 -0.17 0.00 -0.15 0.00 0.00 55.06 56.08 3m46 s HIS 339 Cb -0.19 -2.73 -0.00 0.00 1.11 0.00 0.00 32.58 30.77 3m46 s HIS 339 CO 0.09 -0.69 1.78 -1.35 -0.85 0.00 0.00 174.74 173.72 3m46 h PRO 340 N -0.27 0.34 -1.15 8.40 0.11 -1.98 -2.79 132.00 134.65 3m46 h PRO 340 Ca -0.44 -0.02 0.33 0.00 0.11 0.00 0.00 66.00 65.97 3m46 h PRO 340 Cb 1.19 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 3m46 h PRO 340 CO 0.62 0.22 0.80 0.11 -0.21 0.00 0.00 178.00 179.55 3m46 h TRP 341 N 0.35 0.21 -0.08 0.65 0.09 -1.99 0.52 115.95 115.70 3m46 h TRP 341 Ca 0.12 0.01 -0.19 0.00 0.09 0.00 0.00 58.89 58.92 3m46 h TRP 341 Cb 0.02 -0.06 0.01 0.00 0.08 0.00 0.00 29.16 29.21 3m46 h TRP 341 CO -0.08 0.01 -0.68 0.00 0.09 0.00 0.00 178.44 177.77 3m46 h ALA 342 N 1.48 0.19 -0.34 0.11 0.00 -1.89 -1.42 119.26 117.39 3m46 h ALA 342 Ca 0.59 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3m46 h ALA 342 Cb 2.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 3m46 h ALA 342 CO -0.11 0.50 0.21 1.98 0.00 0.00 0.00 179.25 181.84 3m46 h MET 343 N 0.24 0.42 -0.30 0.00 1.85 -0.92 -1.37 114.93 114.85 3m46 h MET 343 Ca -0.06 -0.03 0.04 0.00 -0.61 0.00 0.00 59.70 59.04 3m46 h MET 343 Cb 1.33 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 33.23 3m46 h MET 343 CO 0.14 0.28 0.08 0.37 -0.40 0.00 0.00 176.91 177.37 3m46 h GLN 344 N 0.43 0.19 -0.45 0.39 4.15 -1.01 -2.47 115.11 116.34 3m46 h GLN 344 Ca 0.13 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 3m46 h GLN 344 Cb -0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 3m46 h GLN 344 CO -0.05 0.12 0.07 0.00 -1.93 0.00 0.00 178.83 177.05 3m46 h ALA 345 N 1.21 0.60 -0.33 3.38 0.00 -0.99 -1.45 119.26 121.67 3m46 h ALA 345 Ca 0.14 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3m46 h ALA 345 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3m46 h ALA 345 CO -0.16 0.33 0.23 -0.22 0.00 0.00 0.00 179.25 179.43 3m46 h LYS 346 N 0.62 0.18 0.04 0.00 1.63 -1.10 0.36 116.57 118.30 3m46 h LYS 346 Ca 0.14 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3m46 h LYS 346 Cb 0.39 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 3m46 h LYS 346 CO 0.01 0.12 -0.02 0.52 -3.45 0.00 0.00 179.45 176.63 3m46 h MET 347 N 0.18 -0.05 -0.52 1.90 2.86 -0.81 -2.97 114.93 115.51 3m46 h MET 347 Ca 0.15 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3m46 h MET 347 Cb 0.37 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3m46 h MET 347 CO -0.02 0.40 0.34 0.87 1.06 0.00 0.00 176.91 179.55 3m46 h LYS 348 N -0.52 0.66 -0.10 1.72 1.57 -0.77 -2.55 116.57 116.57 3m46 h LYS 348 Ca -0.01 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3m46 h LYS 348 Cb 0.48 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3m46 h LYS 348 CO 0.01 0.44 0.21 0.22 -0.57 0.00 0.00 179.45 179.75 3m46 h ASP 349 N 0.68 0.00 -0.05 0.86 1.82 -0.29 -0.95 116.42 118.49 3m46 h ASP 349 Ca 0.20 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 3m46 h ASP 349 Cb -0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.97 3m46 h ASP 349 CO -0.06 0.00 0.00 2.30 -1.61 0.00 0.00 179.24 179.87 3m46 n ILE 350 N -3.38 0.05 -3.54 2.25 -5.35 -0.96 -4.43 119.36 104.00 3m46 n ILE 350 Ca -0.00 -0.25 -0.37 0.00 -0.27 0.00 0.00 62.75 61.86 3m46 n ILE 350 Cb 0.30 0.40 -0.08 0.00 -1.74 0.00 0.00 39.64 38.52 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 -1.95 5.30 -1.32 7.28 1.01 -0.36 -4.19 120.40 126.15 3m46 s VAL 351 Ca 0.37 0.47 -0.07 0.00 0.00 0.00 0.00 61.98 62.75 3m46 s VAL 351 Cb 0.20 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 3m46 s VAL 351 CO 0.32 0.34 0.54 0.59 0.00 0.00 0.00 175.10 176.89 3m46 n ASN 352 N 4.02 -1.80 -4.76 3.32 3.02 0.30 -4.87 115.26 114.48 3m46 n ASN 352 Ca -0.12 -1.01 -0.39 0.00 -0.03 0.00 0.00 54.58 53.03 3m46 n ASN 352 Cb 0.52 -3.13 -0.06 0.00 -0.61 0.00 0.00 39.78 36.50 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 -4.10 7.48 0.33 6.41 0.15 -1.26 -4.94 113.70 117.77 3m46 s SER 353 Ca 0.15 1.95 0.05 0.00 0.70 0.00 0.00 55.95 58.80 3m46 s SER 353 Cb -0.06 -2.60 0.68 0.00 -1.71 0.00 0.00 66.02 62.33 3m46 s SER 353 CO 0.88 0.03 1.90 -0.65 1.20 0.00 0.00 173.24 176.61 3m46 h PRO 354 N 3.75 0.82 -0.14 5.44 0.11 -1.89 -2.69 132.00 137.41 3m46 h PRO 354 Ca -0.46 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 3m46 h PRO 354 Cb 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3m46 h PRO 354 CO 0.67 0.54 -0.56 0.93 -0.21 0.00 0.00 178.00 179.37 3m46 h GLU 355 N 0.84 0.42 -0.77 1.05 4.39 -1.93 -2.96 114.58 115.62 3m46 h GLU 355 Ca 0.40 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.85 3m46 h GLU 355 Cb 0.42 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 3m46 h GLU 355 CO -0.17 0.86 0.50 -0.44 -1.16 0.00 0.00 179.01 178.61 3m46 h ASP 356 N 0.32 0.85 0.44 1.42 3.32 -1.87 -2.59 116.42 118.30 3m46 h ASP 356 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3m46 h ASP 356 Cb 1.08 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3m46 h ASP 356 CO 0.10 0.60 0.00 -1.22 -1.72 0.00 0.00 179.24 177.00 3m46 n TYR 357 N -4.58 0.05 0.09 4.55 4.01 -1.12 -0.16 117.16 120.00 3m46 n TYR 357 Ca 0.08 0.02 0.09 0.00 -0.16 0.00 0.00 57.90 57.93 3m46 n TYR 357 Cb 0.05 -0.53 0.26 0.00 -0.31 0.00 0.00 39.34 38.81 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 -1.54 2.57 0.00 -0.72 5.02 -0.98 -1.07 118.16 121.43 3m46 n LYS 358 Ca 0.03 -2.11 0.05 0.00 -2.02 0.00 0.00 58.31 54.26 3m46 n LYS 358 Cb 0.15 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 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 1.07 2.67 -4.24 1.97 1.74 0.78 -4.94 116.66 115.71 3m46 n ARG 359 Ca 0.19 -0.41 -0.13 0.00 -0.77 0.00 0.00 57.85 56.73 3m46 n ARG 359 Cb 0.55 -1.04 -0.10 0.00 -1.02 0.00 0.00 32.46 30.86 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 -1.53 1.19 0.20 -1.55 -0.12 -1.25 -4.33 117.98 110.58 3m46 s PHE 360 Ca 0.07 -0.84 0.07 0.00 -0.05 0.00 0.00 56.93 56.19 3m46 s PHE 360 Cb 0.08 -0.64 -0.05 0.00 -0.63 0.00 0.00 43.02 41.78 3m46 s PHE 360 CO 0.30 -0.01 -0.14 0.71 -0.05 0.00 0.00 175.22 176.02 3m46 s TYR 361 N -3.44 1.67 -0.10 3.49 2.02 0.20 -1.08 117.35 120.10 3m46 s TYR 361 Ca 0.17 -0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 3m46 s TYR 361 Cb 0.04 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.78 3m46 s TYR 361 CO 0.00 0.33 -0.05 -1.01 -1.57 0.00 0.00 175.55 173.25 3m46 s HIS 362 N -2.91 3.00 -0.36 2.71 3.76 0.16 -3.43 115.29 118.22 3m46 s HIS 362 Ca 0.21 -0.09 -0.20 0.00 -0.15 0.00 0.00 55.06 54.84 3m46 s HIS 362 Cb -0.01 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.87 3m46 s HIS 362 CO 0.06 0.20 0.59 1.21 -0.85 0.00 0.00 174.74 175.96 3m46 s ASN 363 N -0.37 6.38 -0.24 1.40 2.47 -1.26 -0.27 114.94 123.06 3m46 s ASN 363 Ca 0.06 0.07 -0.00 0.00 0.42 0.00 0.00 52.86 53.40 3m46 s ASN 363 Cb -0.12 -2.31 0.07 0.00 -1.45 0.00 0.00 41.25 37.44 3m46 s ASN 363 CO 0.02 -0.56 -0.00 -0.69 -3.72 0.00 0.00 177.10 172.15 3m46 s VAL 364 N 2.60 1.23 -1.34 -5.21 1.01 -0.35 -3.64 120.40 114.70 3m46 s VAL 364 Ca 0.22 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 3m46 s VAL 364 Cb -0.15 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3m46 s VAL 364 CO 0.14 -0.24 0.46 0.59 0.00 0.00 0.00 175.10 176.05 3m46 n ASN 365 N 4.77 -2.11 -0.55 3.32 3.02 -1.26 -1.41 115.26 121.03 3m46 n ASN 365 Ca -0.09 -1.19 -0.07 0.00 -0.03 0.00 0.00 54.58 53.20 3m46 n ASN 365 Cb 0.44 -2.21 -0.03 0.00 -0.61 0.00 0.00 39.78 37.37 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 -2.15 0.87 3.29 7.41 0.00 -1.26 -5.00 105.19 108.35 3m46 n GLY 366 Ca -0.21 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 3m46 n GLY 366 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m46 s LYS 367 N -2.26 3.13 -0.38 1.61 2.47 -0.50 -5.08 119.74 118.73 3m46 s LYS 367 Ca 0.00 -0.80 -0.27 0.00 -1.56 0.00 0.00 55.97 53.34 3m46 s LYS 367 Cb 0.00 -3.11 0.02 0.00 -1.46 0.00 0.00 37.83 33.28 3m46 s LYS 367 CO 0.00 -0.33 0.99 0.15 0.16 0.00 0.00 175.35 176.32 3m46 s LYS 368 N 1.44 3.84 -0.10 4.03 -0.14 -1.26 -1.21 119.74 126.33 3m46 s LYS 368 Ca 0.03 0.64 0.03 0.00 -1.36 0.00 0.00 55.97 55.31 3m46 s LYS 368 Cb -0.16 -3.82 -0.01 0.00 -1.68 0.00 0.00 37.83 32.17 3m46 s LYS 368 CO -0.02 -1.03 -0.20 -1.50 -0.76 0.00 0.00 175.35 171.84 3m46 s ILE 369 N 3.70 2.45 0.29 2.17 1.10 0.63 -4.91 121.20 126.62 3m46 s ILE 369 Ca 0.41 -0.89 -0.29 0.00 -0.51 0.00 0.00 60.65 59.37 3m46 s ILE 369 Cb -0.11 -1.97 -0.10 0.00 0.15 0.00 0.00 42.46 40.43 3m46 s ILE 369 CO 0.21 0.55 1.35 -0.60 -2.11 0.00 0.00 174.94 174.34 3m46 s ARG 370 N 0.23 4.32 0.20 3.50 3.52 -1.26 -0.66 118.95 128.80 3m46 s ARG 370 Ca -0.13 2.24 -0.10 0.00 -0.13 0.00 0.00 55.73 57.61 3m46 s ARG 370 Cb -0.16 -3.09 0.14 0.00 -1.56 0.00 0.00 34.95 30.27 3m46 s ARG 370 CO 0.07 -0.28 1.81 1.25 -0.81 0.00 0.00 175.30 177.34 3m46 h HIS 371 N 4.12 1.02 -1.08 5.12 -0.00 -1.17 -2.58 115.15 120.59 3m46 h HIS 371 Ca -0.48 -0.03 0.29 0.00 -0.00 0.00 0.00 60.37 60.16 3m46 h HIS 371 Cb 1.22 -0.32 -0.10 0.00 -0.00 0.00 0.00 27.41 28.21 3m46 h HIS 371 CO 0.58 0.73 0.69 0.38 -0.00 0.00 0.00 177.93 180.30 3m46 h ASP 372 N 1.02 0.43 0.80 3.26 2.03 -1.39 0.06 116.42 122.64 3m46 h ASP 372 Ca 0.26 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 3m46 h ASP 372 Cb 0.05 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 3m46 h ASP 372 CO -0.04 0.04 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 3m46 n LYS 373 N -4.67 0.07 -0.80 4.15 5.02 -0.97 -3.20 118.16 117.76 3m46 n LYS 373 Ca 0.27 0.06 0.02 0.00 -2.02 0.00 0.00 58.31 56.65 3m46 n LYS 373 Cb 0.95 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.49 3m46 n LYS 373 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3m46 n VAL 374 N -1.46 0.24 -0.32 -0.18 0.24 -0.29 -4.08 118.33 112.49 3m46 n VAL 374 Ca 0.07 -0.65 0.09 0.00 -2.04 0.00 0.00 64.34 61.81 3m46 n VAL 374 Cb 0.28 0.58 0.25 0.00 -1.47 0.00 0.00 33.84 33.48 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 0.38 0.87 0.00 6.34 6.17 -0.97 -0.86 115.15 127.08 3m46 h HIS 375 Ca -0.08 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.04 3m46 h HIS 375 Cb 1.52 -0.25 0.00 0.00 2.52 0.00 0.00 27.41 31.20 3m46 h HIS 375 CO 0.15 0.21 0.00 0.09 0.71 0.00 0.00 177.93 179.09 3m46 n ASN 376 N -4.83 0.00 0.03 3.26 3.02 -0.14 -3.07 115.26 113.54 3m46 n ASN 376 Ca 0.19 -0.49 0.12 0.00 -0.03 0.00 0.00 54.58 54.36 3m46 n ASN 376 Cb 0.47 -0.06 0.09 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.06 0.63 0.33 3.41 4.77 -0.33 -4.42 117.00 120.34 3m46 n LEU 377 Ca 0.14 0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 56.01 3m46 n LEU 377 Cb 0.08 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 3m46 n LEU 377 CO 0.12 0.02 0.55 0.15 -1.33 0.00 0.00 177.39 176.91 3m46 h PHE 378 N 0.00 -0.78 -0.40 -1.77 3.57 -1.71 -0.38 116.94 115.48 3m46 h PHE 378 Ca 0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3m46 h PHE 378 Cb 0.71 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 3m46 h PHE 378 CO 0.00 -0.44 0.20 0.78 -2.23 0.00 0.00 178.31 176.61 3m46 h GLY 379 N -0.99 0.61 0.06 2.40 0.00 -1.60 0.33 103.07 103.88 3m46 h GLY 379 Ca -0.09 -0.30 0.09 0.00 0.00 0.00 0.00 47.33 47.03 3m46 h GLY 379 CO 0.14 0.29 -0.13 -1.82 0.00 0.00 0.00 176.54 175.01 3m46 h TYR 380 N 0.51 -0.30 0.00 5.60 3.20 -1.66 0.30 116.97 124.61 3m46 h TYR 380 Ca 0.14 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3m46 h TYR 380 Cb 0.11 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3m46 h TYR 380 CO -0.01 -0.22 -0.27 -0.91 -1.64 0.00 0.00 178.16 175.11 3m46 h ASN 381 N -0.03 0.00 -0.19 -2.11 2.35 -0.63 0.38 115.58 115.34 3m46 h ASN 381 Ca 0.22 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 3m46 h ASN 381 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3m46 h ASN 381 CO -0.48 0.27 0.01 -0.03 -1.65 0.00 0.00 177.43 175.55 3m46 h MET 382 N 0.00 0.33 -0.49 0.81 4.05 0.45 -1.40 114.93 118.68 3m46 h MET 382 Ca -0.00 -0.10 -0.09 0.00 -0.28 0.00 0.00 59.70 59.23 3m46 h MET 382 Cb 0.82 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 3m46 h MET 382 CO 0.04 0.53 -0.03 1.15 0.23 0.00 0.00 176.91 178.83 3m46 h THR 383 N 0.10 1.27 -0.69 -0.77 2.02 -0.65 -2.46 112.91 111.73 3m46 h THR 383 Ca 0.06 -1.12 0.12 0.00 0.77 0.00 0.00 66.41 66.23 3m46 h THR 383 Cb 0.37 1.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.70 3m46 h THR 383 CO 0.01 0.39 0.27 -0.09 0.37 0.00 0.00 175.52 176.47 3m46 h ARG 384 N 0.75 0.43 0.11 6.66 2.43 -0.19 0.11 114.38 124.67 3m46 h ARG 384 Ca 0.14 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3m46 h ARG 384 Cb 0.55 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 3m46 h ARG 384 CO 0.03 0.28 -0.28 0.00 -1.51 0.00 0.00 179.97 178.49 3m46 h ALA 385 N 1.49 -0.47 0.34 2.80 0.00 -0.93 0.32 119.26 122.80 3m46 h ALA 385 Ca 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3m46 h ALA 385 Cb 0.50 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3m46 h ALA 385 CO -0.36 -0.82 -0.31 0.00 0.00 0.00 0.00 179.25 177.77 3m46 h ALA 386 N 0.23 -0.68 -0.23 0.00 0.00 -0.98 -1.14 119.26 116.45 3m46 h ALA 386 Ca 0.03 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3m46 h ALA 386 Cb 0.52 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3m46 h ALA 386 CO -0.17 -0.91 -0.18 0.78 0.00 0.00 0.00 179.25 178.76 3m46 h GLY 387 N -0.67 -0.04 1.37 0.00 0.00 -0.70 -1.73 103.07 101.30 3m46 h GLY 387 Ca -0.02 0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.54 3m46 h GLY 387 CO -0.05 -0.17 0.42 0.83 0.00 0.00 0.00 176.54 177.57 3m46 h GLU 388 N -0.18 0.85 0.00 4.80 5.08 -0.28 -1.64 114.58 123.22 3m46 h GLU 388 Ca 0.13 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3m46 h GLU 388 Cb 0.38 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3m46 h GLU 388 CO -0.34 0.57 -0.24 0.00 -1.00 0.00 0.00 179.01 177.99 3m46 h ALA 389 N 1.59 1.58 -0.59 3.43 0.00 -0.37 -2.79 119.26 122.11 3m46 h ALA 389 Ca 0.24 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3m46 h ALA 389 Cb -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3m46 h ALA 389 CO -0.05 0.31 0.12 0.74 0.00 0.00 0.00 179.25 180.37 3m46 h PHE 390 N 0.00 0.98 0.00 0.00 0.04 -0.50 0.18 116.94 117.64 3m46 h PHE 390 Ca -0.00 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.59 3m46 h PHE 390 Cb 0.44 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3m46 h PHE 390 CO 0.00 0.82 -0.32 0.93 -0.60 0.00 0.00 178.31 179.14 3m46 h GLU 391 N 0.89 0.00 0.13 1.51 5.08 -1.44 0.48 114.58 121.24 3m46 h GLU 391 Ca 0.19 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.24 3m46 h GLU 391 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3m46 h GLU 391 CO 0.00 0.32 -1.56 0.00 -1.00 0.00 0.00 179.01 176.77 3m46 h ARG 392 N 0.00 0.27 0.14 2.33 3.08 -1.39 -3.23 114.38 115.57 3m46 h ARG 392 Ca -0.00 -0.45 -0.23 0.00 0.07 0.00 0.00 59.98 59.36 3m46 h ARG 392 Cb 0.73 0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.96 3m46 h ARG 392 CO 0.04 1.13 -1.07 0.82 -1.07 0.00 0.00 179.97 179.83 3m46 h ILE 393 N 0.07 1.33 -1.81 2.04 2.04 -0.42 -3.42 117.51 117.35 3m46 h ILE 393 Ca -0.26 -2.50 -0.43 0.00 1.00 0.00 0.00 64.86 62.67 3m46 h ILE 393 Cb 2.03 3.02 -0.30 0.00 -0.74 0.00 0.00 36.82 40.83 3m46 h ILE 393 CO 0.16 0.72 -0.80 -0.67 0.00 0.00 0.00 178.15 177.56 3m46 n ASP 394 N -4.03 -1.56 0.16 1.72 -0.08 0.14 -5.04 116.55 107.87 3m46 n ASP 394 Ca -0.18 -2.60 0.13 0.00 -1.51 0.00 0.00 54.79 50.64 3m46 n ASP 394 Cb 0.87 0.31 0.68 0.00 2.34 0.00 0.00 41.12 45.32 3m46 n ASP 394 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3m46 h PRO 395 N 5.29 0.00 0.00 -0.67 0.11 -1.60 -2.50 132.00 132.63 3m46 h PRO 395 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3m46 h PRO 395 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3m46 h PRO 395 CO 0.25 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.43 3m46 n GLU 396 N -4.40 0.84 -4.49 1.05 1.02 -1.26 -4.88 120.64 108.52 3m46 n GLU 396 Ca 0.02 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.95 3m46 n GLU 396 Cb 0.30 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.06 3m46 n GLU 396 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3m46 s LYS 397 N -2.08 1.03 0.11 3.49 2.20 -0.94 -3.19 119.74 120.36 3m46 s LYS 397 Ca 0.42 -0.38 -0.26 0.00 -0.36 0.00 0.00 55.97 55.38 3m46 s LYS 397 Cb 0.20 -0.97 -0.07 0.00 -1.51 0.00 0.00 37.83 35.49 3m46 s LYS 397 CO 0.35 0.19 0.81 1.03 -0.36 0.00 0.00 175.35 177.37 3m46 s ARG 398 N -0.03 4.58 -0.05 4.03 0.52 -0.50 -4.92 118.95 122.58 3m46 s ARG 398 Ca 0.00 1.19 0.05 0.00 -0.52 0.00 0.00 55.73 56.45 3m46 s ARG 398 Cb -0.07 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 3m46 s ARG 398 CO 0.00 0.38 -0.20 -0.06 0.02 0.00 0.00 175.30 175.44 3m46 s PHE 399 N -0.46 2.54 0.08 -0.53 0.08 -1.26 -4.65 117.98 113.78 3m46 s PHE 399 Ca 0.39 -0.39 -0.31 0.00 0.12 0.00 0.00 56.93 56.74 3m46 s PHE 399 Cb -0.22 -1.60 -0.08 0.00 -0.57 0.00 0.00 43.02 40.54 3m46 s PHE 399 CO 0.26 0.01 1.65 -1.17 -0.10 0.00 0.00 175.22 175.86 3m46 s LEU 400 N -0.50 4.36 -0.17 -0.37 2.96 -1.03 -4.54 118.68 119.40 3m46 s LEU 400 Ca 0.06 2.49 -0.10 0.00 -0.22 0.00 0.00 54.13 56.37 3m46 s LEU 400 Cb -0.11 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.07 3m46 s LEU 400 CO 0.01 -0.88 0.41 -0.32 -1.32 0.00 0.00 176.35 174.25 3m46 s MET 401 N 2.54 0.40 -0.04 1.98 -2.45 -1.25 -0.82 119.30 119.65 3m46 s MET 401 Ca 0.74 0.77 -0.30 0.00 -1.25 0.00 0.00 55.69 55.65 3m46 s MET 401 Cb -0.40 -0.00 0.07 0.00 1.25 0.00 0.00 34.83 35.75 3m46 s MET 401 CO 0.32 -0.15 0.66 -0.59 1.05 0.00 0.00 175.02 176.31 3m46 s PHE 402 N 1.30 -0.63 0.33 4.11 -0.71 -1.13 -2.22 117.98 119.03 3m46 s PHE 402 Ca -0.09 1.06 0.03 0.00 -1.04 0.00 0.00 56.93 56.89 3m46 s PHE 402 Cb -0.08 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.09 3m46 s PHE 402 CO -0.12 -0.61 0.14 0.45 -1.34 0.00 0.00 175.22 173.75 3m46 s SER 403 N -1.25 1.90 -0.14 1.98 0.15 -0.47 -1.70 113.70 114.17 3m46 s SER 403 Ca -0.11 -1.56 -0.11 0.00 0.70 0.00 0.00 55.95 54.87 3m46 s SER 403 Cb -0.00 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.63 3m46 s SER 403 CO 0.09 -0.87 -0.22 -1.14 1.20 0.00 0.00 173.24 172.31 3m46 n ARG 404 N -0.66 0.43 -3.32 5.44 0.63 -0.64 -2.20 116.66 116.34 3m46 n ARG 404 Ca -0.01 0.39 -0.37 0.00 -0.92 0.00 0.00 57.85 56.94 3m46 n ARG 404 Cb 0.65 -1.51 -0.06 0.00 0.45 0.00 0.00 32.46 31.99 3m46 n ARG 404 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3m46 s SER 405 N -5.60 6.94 0.36 6.15 0.15 -1.26 -4.62 113.70 115.82 3m46 s SER 405 Ca -0.18 1.16 -0.06 0.00 0.70 0.00 0.00 55.95 57.57 3m46 s SER 405 Cb 0.02 -2.32 0.02 0.00 -1.71 0.00 0.00 66.02 62.03 3m46 s SER 405 CO 0.27 0.21 0.58 -0.94 1.20 0.00 0.00 173.24 174.55 3m46 s SER 406 N -1.36 0.67 -0.27 5.45 1.04 -1.25 -3.87 113.70 114.10 3m46 s SER 406 Ca 0.32 -1.40 -0.25 0.00 0.48 0.00 0.00 55.95 55.10 3m46 s SER 406 Cb -0.17 0.73 0.07 0.00 0.10 0.00 0.00 66.02 66.75 3m46 s SER 406 CO 0.19 -1.44 0.75 -0.47 0.98 0.00 0.00 173.24 173.24 3m46 s TYR 407 N -2.75 -0.76 -0.08 5.02 5.04 -1.26 -2.30 117.35 120.26 3m46 s TYR 407 Ca 0.26 1.84 -0.39 0.00 -2.44 0.00 0.00 57.07 56.34 3m46 s TYR 407 Cb -0.02 0.28 -0.16 0.00 0.35 0.00 0.00 41.96 42.41 3m46 s TYR 407 CO 0.18 -0.37 1.50 -0.89 -1.34 0.00 0.00 175.55 174.63 3m46 n ILE 408 N 2.60 0.13 0.00 3.14 5.41 -1.24 -0.83 119.36 128.57 3m46 n ILE 408 Ca -0.14 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.59 3m46 n ILE 408 Cb 0.55 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 3m46 n ILE 408 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3m46 n GLY 409 N 3.20 3.46 0.40 7.39 0.00 -1.26 -4.19 105.19 114.20 3m46 n GLY 409 Ca 0.22 -0.83 0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 0.39 0.00 1.61 -1.53 -1.30 -2.00 114.93 112.10 3m46 h MET 410 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 3m46 h MET 410 Cb 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 30.96 3m46 h MET 410 CO 0.00 0.26 0.21 -2.39 0.14 0.00 0.00 176.91 175.13 3m46 n HIS 411 N -4.64 0.09 0.63 1.39 -0.00 -1.26 -0.22 115.22 111.20 3m46 n HIS 411 Ca 0.25 0.05 0.12 0.00 -0.00 0.00 0.00 57.72 58.14 3m46 n HIS 411 Cb 0.87 -0.38 0.20 0.00 -0.00 0.00 0.00 29.99 30.67 3m46 n HIS 411 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3m46 n ARG 412 N -1.45 0.26 0.00 -1.40 1.74 -0.75 -0.57 116.66 114.48 3m46 n ARG 412 Ca -0.00 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3m46 n ARG 412 Cb 0.21 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3m46 n ARG 412 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3m46 n TYR 413 N -2.04 0.00 0.00 -1.55 4.01 0.69 -3.76 117.16 114.50 3m46 n TYR 413 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3m46 n TYR 413 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 3m46 n TYR 413 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3m46 n GLY 414 N 0.70 1.46 0.60 2.72 0.00 -1.17 -4.64 105.19 104.86 3m46 n GLY 414 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.05 3m46 n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m46 n GLY 415 N -0.55 0.29 3.09 -0.02 0.00 -0.94 -4.41 105.19 102.64 3m46 n GLY 415 Ca 0.00 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 3m46 n GLY 415 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3m46 s ILE 416 N -0.56 0.42 0.05 -0.61 -4.36 -0.88 -1.37 121.20 113.89 3m46 s ILE 416 Ca 0.11 -1.53 0.08 0.00 -0.26 0.00 0.00 60.65 59.05 3m46 s ILE 416 Cb -0.01 -1.14 -0.03 0.00 1.25 0.00 0.00 42.46 42.54 3m46 s ILE 416 CO 0.07 -0.74 -0.23 -1.66 0.24 0.00 0.00 174.94 172.63 3m46 s TRP 417 N -2.83 2.00 -0.23 1.37 -2.14 -0.93 -3.24 118.94 112.93 3m46 s TRP 417 Ca 0.01 -0.39 -0.08 0.00 2.66 0.00 0.00 56.10 58.30 3m46 s TRP 417 Cb -0.00 -1.19 -0.04 0.00 -3.10 0.00 0.00 33.47 29.15 3m46 s TRP 417 CO -0.04 0.11 0.08 1.41 -2.66 0.00 0.00 176.95 175.85 3m46 s MET 418 N -1.23 3.80 0.20 3.25 -2.45 -0.51 -4.73 119.30 117.63 3m46 s MET 418 Ca 0.09 -0.41 -0.11 0.00 -1.25 0.00 0.00 55.69 54.01 3m46 s MET 418 Cb -0.09 -3.33 -0.00 0.00 1.25 0.00 0.00 34.83 32.65 3m46 s MET 418 CO 0.02 -0.04 0.38 0.20 1.05 0.00 0.00 175.02 176.63 3m46 s GLY 419 N 1.23 0.47 0.00 2.11 0.00 -1.26 -0.27 107.32 109.59 3m46 s GLY 419 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.94 3m46 s GLY 419 CO 0.04 -0.71 0.00 2.09 0.00 0.00 0.00 173.10 174.52 3m46 n ASP 420 N -0.29 0.00 -1.61 1.64 5.75 -1.26 -5.01 116.55 115.76 3m46 n ASP 420 Ca -0.05 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.81 3m46 n ASP 420 Cb 0.63 0.00 0.36 0.00 -1.03 0.00 0.00 41.12 41.08 3m46 n ASP 420 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3m46 n ASN 421 N 0.00 5.11 -4.13 -1.12 3.02 -1.24 -2.99 115.26 113.91 3m46 n ASN 421 Ca 0.00 -2.79 -0.20 0.00 -0.03 0.00 0.00 54.58 51.56 3m46 n ASN 421 Cb 0.00 -0.62 -0.13 0.00 -0.61 0.00 0.00 39.78 38.42 3m46 n ASN 421 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3m46 s LYS 422 N -2.49 0.90 -0.91 3.52 -0.14 -1.22 -4.85 119.74 114.55 3m46 s LYS 422 Ca 0.51 -0.74 -0.04 0.00 -1.36 0.00 0.00 55.97 54.34 3m46 s LYS 422 Cb 0.37 -0.89 0.23 0.00 -1.68 0.00 0.00 37.83 35.86 3m46 s LYS 422 CO 0.17 0.22 0.82 -1.12 -0.76 0.00 0.00 175.35 174.68 3m46 s SER 423 N -1.12 6.25 -0.02 2.83 0.01 -1.26 -3.68 113.70 116.71 3m46 s SER 423 Ca 0.01 -3.56 0.04 0.00 1.31 0.00 0.00 55.95 53.75 3m46 s SER 423 Cb -0.08 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.14 3m46 s SER 423 CO 0.01 -0.24 -0.14 0.26 0.41 0.00 0.00 173.24 173.54 3m46 s TRP 424 N -1.13 2.70 0.12 2.43 0.51 -1.26 -4.92 118.94 117.38 3m46 s TRP 424 Ca 0.27 -0.16 -0.21 0.00 -2.12 0.00 0.00 56.10 53.88 3m46 s TRP 424 Cb -0.09 -1.58 -0.06 0.00 -0.81 0.00 0.00 33.47 30.92 3m46 s TRP 424 CO -0.10 0.24 1.72 -1.49 -0.51 0.00 0.00 176.95 176.80 3m46 h TRP 425 N 4.99 -0.06 -0.47 -1.98 4.06 -1.97 -2.67 115.95 117.85 3m46 h TRP 425 Ca -0.47 0.01 0.14 0.00 2.06 0.00 0.00 58.89 60.63 3m46 h TRP 425 Cb 1.16 0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 29.35 3m46 h TRP 425 CO 0.52 -0.05 0.38 0.66 -3.56 0.00 0.00 178.44 176.39 3m46 h SER 426 N 0.01 0.00 -0.16 -3.49 4.64 -1.96 0.97 113.55 113.56 3m46 h SER 426 Ca 0.07 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 3m46 h SER 426 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3m46 h SER 426 CO -0.14 0.00 -0.02 0.45 -0.87 0.00 0.00 176.83 176.25 3m46 h HIS 427 N 0.00 0.42 -0.92 4.77 3.86 -1.88 -0.55 115.15 120.85 3m46 h HIS 427 Ca 0.22 -0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.46 3m46 h HIS 427 Cb 0.98 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 29.26 3m46 h HIS 427 CO 0.00 0.44 0.58 0.82 0.86 0.00 0.00 177.93 180.63 3m46 h ILE 428 N 0.40 1.05 -0.27 2.45 2.04 -0.85 0.13 117.51 122.46 3m46 h ILE 428 Ca 0.09 -0.36 -0.16 0.00 1.00 0.00 0.00 64.86 65.43 3m46 h ILE 428 Cb 0.29 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3m46 h ILE 428 CO 0.01 0.19 -0.44 0.25 0.00 0.00 0.00 178.15 178.16 3m46 h LEU 429 N 1.05 0.85 -0.10 1.44 5.85 -1.36 -2.23 115.31 120.80 3m46 h LEU 429 Ca 0.40 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3m46 h LEU 429 Cb 0.19 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3m46 h LEU 429 CO -0.18 1.21 -0.13 0.25 -0.34 0.00 0.00 178.44 179.25 3m46 h LEU 430 N 0.52 -0.41 -0.22 2.25 5.85 -0.54 0.71 115.31 123.47 3m46 h LEU 430 Ca 0.02 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3m46 h LEU 430 Cb 1.04 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 3m46 h LEU 430 CO 0.10 -0.18 0.02 0.78 -0.34 0.00 0.00 178.44 178.82 3m46 h ASN 431 N -0.18 -0.05 -0.41 1.25 2.35 -0.78 -1.04 115.58 116.73 3m46 h ASN 431 Ca 0.08 0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.94 3m46 h ASN 431 Cb 0.29 0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.67 3m46 h ASN 431 CO -0.20 0.01 0.04 0.25 -1.65 0.00 0.00 177.43 175.87 3m46 h LEU 432 N 0.09 -0.09 -1.72 1.61 5.85 -0.82 -2.35 115.31 117.89 3m46 h LEU 432 Ca 0.10 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3m46 h LEU 432 Cb 0.12 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 3m46 h LEU 432 CO -0.16 -0.01 -0.17 0.11 -0.34 0.00 0.00 178.44 177.88 3m46 h LYS 433 N 0.15 0.00 -0.01 1.25 1.57 -0.19 -2.93 116.57 116.41 3m46 h LYS 433 Ca 0.20 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.85 3m46 h LYS 433 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3m46 h LYS 433 CO -0.30 0.17 -0.59 0.52 -0.57 0.00 0.00 179.45 178.67 3m46 h MET 434 N 0.00 0.04 0.89 3.15 2.86 -0.65 -3.38 114.93 117.83 3m46 h MET 434 Ca -0.00 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3m46 h MET 434 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3m46 h MET 434 CO 0.02 0.61 -0.47 -0.07 1.06 0.00 0.00 176.91 178.07 3m46 h LEU 435 N 0.03 -1.14 -0.92 1.22 3.38 -1.43 -0.38 115.31 116.07 3m46 h LEU 435 Ca -0.01 0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.25 3m46 h LEU 435 Cb 1.05 0.31 -0.13 0.00 0.09 0.00 0.00 40.66 41.98 3m46 h LEU 435 CO 0.08 -0.77 0.41 1.55 0.09 0.00 0.00 178.44 179.80 3m46 h PRO 436 N -1.25 0.36 -0.40 1.13 0.13 -1.77 0.58 132.00 130.79 3m46 h PRO 436 Ca -0.12 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 3m46 h PRO 436 Cb 0.97 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 3m46 h PRO 436 CO 0.17 0.24 0.15 0.77 -0.23 0.00 0.00 178.00 179.10 3m46 h SER 437 N 0.37 0.51 0.96 1.44 0.02 -1.44 -1.02 113.55 114.40 3m46 h SER 437 Ca 0.59 -0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 61.34 3m46 h SER 437 Cb 1.16 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 3m46 h SER 437 CO -0.56 0.47 -0.70 -0.07 -1.14 0.00 0.00 176.83 174.84 3m46 h LEU 438 N 0.56 0.00 -0.55 5.07 3.38 0.17 -2.99 115.31 120.95 3m46 h LEU 438 Ca 0.14 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 3m46 h LEU 438 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3m46 h LEU 438 CO -0.01 0.70 -0.67 0.78 0.09 0.00 0.00 178.44 179.33 3m46 h ASN 439 N 0.00 0.29 0.00 -0.43 2.35 0.27 -0.10 115.58 117.96 3m46 h ASN 439 Ca -0.01 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 3m46 h ASN 439 Cb 1.37 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 3m46 h ASN 439 CO 0.09 0.87 -0.04 0.24 -1.65 0.00 0.00 177.43 176.94 3m46 h MET 440 N 0.17 0.11 -0.66 0.81 2.86 -1.27 -2.55 114.93 114.39 3m46 h MET 440 Ca -0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3m46 h MET 440 Cb 1.21 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3m46 h MET 440 CO 0.10 0.16 0.00 0.00 1.06 0.00 0.00 176.91 178.24 3m46 n GLY 442 N 1.40 2.84 3.55 0.00 0.00 -0.96 -4.81 105.19 107.20 3m46 n GLY 442 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.68 2.86 -0.04 1.61 0.08 -0.07 -4.70 117.98 115.03 3m46 s PHE 443 Ca 0.00 0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.30 3m46 s PHE 443 Cb 0.00 -4.04 -0.03 0.00 -0.57 0.00 0.00 43.02 38.38 3m46 s PHE 443 CO 0.00 -1.22 -0.03 -1.33 -0.10 0.00 0.00 175.22 172.54 3m46 n MET 444 N 7.35 0.59 -1.85 0.44 2.81 -1.26 -3.14 117.12 122.06 3m46 n MET 444 Ca 0.05 0.02 -0.22 0.00 -1.81 0.00 0.00 57.70 55.74 3m46 n MET 444 Cb 0.48 -1.08 -0.08 0.00 -0.71 0.00 0.00 33.22 31.83 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 -2.08 1.58 0.21 2.03 5.04 -1.26 -4.57 117.35 118.30 3m46 s TYR 445 Ca -0.05 1.33 0.04 0.00 -2.44 0.00 0.00 57.07 55.95 3m46 s TYR 445 Cb 0.01 -3.70 -0.05 0.00 0.35 0.00 0.00 41.96 38.58 3m46 s TYR 445 CO 0.10 -1.09 -0.05 0.95 -1.34 0.00 0.00 175.55 174.11 3m46 s THR 446 N 13.56 1.19 -0.05 4.34 -4.23 -1.26 -2.07 115.64 127.12 3m46 s THR 446 Ca 0.76 -2.07 -0.31 0.00 -1.18 0.00 0.00 61.69 58.89 3m46 s THR 446 Cb -0.04 -2.17 0.13 0.00 1.34 0.00 0.00 72.50 71.75 3m46 s THR 446 CO 0.13 -0.48 1.31 -0.83 -0.54 0.00 0.00 174.62 174.21 3m46 s GLY 447 N -3.28 -0.42 0.37 3.99 0.00 -1.20 -0.93 107.32 105.87 3m46 s GLY 447 Ca 0.24 0.84 0.06 0.00 0.00 0.00 0.00 44.72 45.87 3m46 s GLY 447 CO 0.06 0.18 0.01 0.00 0.00 0.00 0.00 173.10 173.35 3m46 s ALA 448 N -2.35 2.89 0.23 3.20 0.00 -1.26 -1.42 121.76 123.05 3m46 s ALA 448 Ca 0.14 -2.20 0.10 0.00 0.00 0.00 0.00 51.96 50.00 3m46 s ALA 448 Cb 0.05 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 3m46 s ALA 448 CO -0.04 -0.15 -0.19 -0.51 0.00 0.00 0.00 175.76 174.87 3m46 s ASP 449 N -3.63 3.16 -0.88 0.00 1.01 0.62 -4.58 116.67 112.37 3m46 s ASP 449 Ca 0.35 -0.97 -0.00 0.00 0.71 0.00 0.00 52.55 52.64 3m46 s ASP 449 Cb 0.09 -0.23 0.25 0.00 1.01 0.00 0.00 42.92 44.04 3m46 s ASP 449 CO 0.17 -0.01 0.93 -0.11 0.21 0.00 0.00 175.17 176.36 3m46 n LEU 450 N -0.23 4.60 -2.04 1.23 7.94 -1.26 -4.53 117.00 122.71 3m46 n LEU 450 Ca -0.09 -5.22 -0.02 0.00 -1.11 0.00 0.00 56.01 49.57 3m46 n LEU 450 Cb 0.59 -1.04 -0.03 0.00 0.53 0.00 0.00 43.42 43.47 3m46 n LEU 450 CO 0.34 1.70 0.63 0.61 -1.11 0.00 0.00 177.39 179.56 3m46 n GLY 451 N 1.76 1.48 3.66 -3.96 0.00 -1.16 -4.78 105.19 102.18 3m46 n GLY 451 Ca 0.25 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3m46 n GLY 451 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m46 s ASP 456 N 2.28 7.01 -0.17 1.61 -1.08 -1.26 -3.45 116.67 121.60 3m46 s ASP 456 Ca 0.11 1.47 -0.25 0.00 -0.52 0.00 0.00 52.55 53.36 3m46 s ASP 456 Cb 0.05 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.96 3m46 s ASP 456 CO 0.00 -0.74 0.82 -0.89 0.52 0.00 0.00 175.17 174.88 3m46 s THR 457 N 3.40 4.89 0.48 1.71 2.01 -1.26 -4.92 115.64 121.95 3m46 s THR 457 Ca 0.49 1.60 -0.19 0.00 0.31 0.00 0.00 61.69 63.89 3m46 s THR 457 Cb -0.17 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.12 3m46 s THR 457 CO 0.11 0.03 0.98 0.42 -0.69 0.00 0.00 174.62 175.47 3m46 s THR 458 N 2.16 4.30 0.22 -0.82 -4.23 -1.26 -4.91 115.64 111.11 3m46 s THR 458 Ca 0.37 1.30 -0.10 0.00 -1.18 0.00 0.00 61.69 62.08 3m46 s THR 458 Cb -0.16 -3.60 0.19 0.00 1.34 0.00 0.00 72.50 70.27 3m46 s THR 458 CO 0.12 -0.44 1.67 -0.09 -0.54 0.00 0.00 174.62 175.34 3m46 h ARG 459 N 1.42 0.15 -0.92 3.99 2.43 -1.99 -1.56 114.38 117.89 3m46 h ARG 459 Ca -0.48 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.70 3m46 h ARG 459 Cb 1.19 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 3m46 h ARG 459 CO 0.61 0.10 0.61 0.38 -1.51 0.00 0.00 179.97 180.15 3m46 h ASP 460 N 0.15 1.03 -0.14 -3.80 2.03 -2.00 -1.90 116.42 111.79 3m46 h ASP 460 Ca 0.33 -0.02 -0.03 0.00 -0.73 0.00 0.00 57.03 56.58 3m46 h ASP 460 Cb 0.53 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 38.78 3m46 h ASP 460 CO -0.51 0.73 -0.02 0.25 -1.03 0.00 0.00 179.24 178.67 3m46 h LEU 461 N 1.21 0.26 -0.64 0.15 5.85 -1.74 -2.30 115.31 118.10 3m46 h LEU 461 Ca 0.35 -0.34 0.11 0.00 0.84 0.00 0.00 57.88 58.84 3m46 h LEU 461 Cb -0.08 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 40.79 3m46 h LEU 461 CO -0.09 0.54 0.19 0.25 -0.34 0.00 0.00 178.44 179.00 3m46 h LEU 462 N -0.02 0.13 -0.38 2.25 5.85 -1.16 0.11 115.31 122.08 3m46 h LEU 462 Ca 0.04 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 3m46 h LEU 462 Cb 0.42 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3m46 h LEU 462 CO 0.01 0.07 0.00 -0.07 -0.34 0.00 0.00 178.44 178.11 3m46 h LEU 463 N 0.34 0.67 -0.95 2.25 3.38 -1.02 0.02 115.31 119.99 3m46 h LEU 463 Ca 0.34 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3m46 h LEU 463 Cb 0.48 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3m46 h LEU 463 CO -0.38 0.81 -0.44 0.03 0.09 0.00 0.00 178.44 178.55 3m46 h ARG 464 N 0.50 0.17 -0.41 1.13 2.47 -1.26 -2.08 114.38 114.90 3m46 h ARG 464 Ca 0.11 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 3m46 h ARG 464 Cb 0.47 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 3m46 h ARG 464 CO 0.02 0.58 0.18 0.35 0.56 0.00 0.00 179.97 181.67 3m46 h PHE 465 N 0.14 0.61 0.00 3.04 3.57 -0.29 -3.05 116.94 120.96 3m46 h PHE 465 Ca 0.01 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 3m46 h PHE 465 Cb 0.84 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3m46 h PHE 465 CO 0.01 0.52 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.21 3m46 h LEU 466 N 0.53 0.00 -0.02 0.59 3.38 -0.69 -1.97 115.31 117.13 3m46 h LEU 466 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3m46 h LEU 466 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3m46 h LEU 466 CO -0.01 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.84 3m46 n ALA 467 N -2.37 2.13 -0.08 1.53 0.00 -0.81 -1.10 120.51 119.81 3m46 n ALA 467 Ca -0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 3m46 n ALA 467 Cb 0.41 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.36 3m46 n ALA 467 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3m46 h LEU 468 N 0.00 0.00 -2.35 0.00 5.85 -1.32 -3.38 115.31 114.11 3m46 h LEU 468 Ca 0.00 -0.53 0.03 0.00 0.84 0.00 0.00 57.88 58.22 3m46 h LEU 468 Cb 0.45 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 3m46 h LEU 468 CO 0.00 1.08 0.17 1.23 -0.34 0.00 0.00 178.44 180.58 3m46 h GLY 469 N -1.00 0.00 -0.86 3.75 0.00 -1.35 0.11 103.07 103.72 3m46 h GLY 469 Ca -0.13 0.00 0.33 0.00 0.00 0.00 0.00 47.33 47.53 3m46 h GLY 469 CO -0.08 0.00 0.33 -2.08 0.00 0.00 0.00 176.54 174.71 3m46 h VAL 470 N 0.00 0.08 0.00 4.60 2.07 -1.30 -2.80 116.25 118.90 3m46 h VAL 470 Ca 0.05 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3m46 h VAL 470 Cb 0.39 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3m46 h VAL 470 CO -0.00 0.01 -1.31 0.49 0.02 0.00 0.00 177.57 176.78 3m46 n PHE 471 N -5.31 0.00 -2.95 1.57 3.72 0.02 -4.84 117.46 109.67 3m46 n PHE 471 Ca 0.30 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.30 3m46 n PHE 471 Cb 1.00 -0.18 -0.04 0.00 -0.94 0.00 0.00 39.48 39.31 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 -3.03 4.99 0.44 4.37 -4.23 -1.06 -4.94 115.64 112.19 3m46 s THR 472 Ca 0.01 1.61 0.21 0.00 -1.18 0.00 0.00 61.69 62.34 3m46 s THR 472 Cb 0.14 -4.12 0.41 0.00 1.34 0.00 0.00 72.50 70.27 3m46 s THR 472 CO 0.80 0.20 1.84 -0.65 -0.54 0.00 0.00 174.62 176.27 3m46 h PRO 473 N 6.85 0.30 -5.17 3.99 0.11 -1.79 -3.29 132.00 133.00 3m46 h PRO 473 Ca -0.39 -0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.08 3m46 h PRO 473 Cb 1.19 -0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.10 3m46 h PRO 473 CO 0.76 0.20 -0.42 -1.17 -0.21 0.00 0.00 178.00 177.16 3m46 s LEU 474 N -9.24 4.12 -0.28 2.35 2.96 -0.10 -4.65 118.68 113.84 3m46 s LEU 474 Ca -0.08 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 3m46 s LEU 474 Cb 0.23 -2.21 0.09 0.00 0.50 0.00 0.00 46.19 44.79 3m46 s LEU 474 CO 0.78 0.02 0.08 -0.32 -1.32 0.00 0.00 176.35 175.60 3m46 s MET 475 N 1.14 0.66 0.03 1.98 -2.45 -1.24 -4.22 119.30 115.20 3m46 s MET 475 Ca 0.11 -0.85 0.01 0.00 -1.25 0.00 0.00 55.69 53.71 3m46 s MET 475 Cb -0.14 -1.93 -0.02 0.00 1.25 0.00 0.00 34.83 34.00 3m46 s MET 475 CO 0.05 -0.90 -0.06 -0.98 1.05 0.00 0.00 175.02 174.19 3m46 s ARG 476 N 1.73 0.42 -0.86 4.11 1.70 -1.26 -1.72 118.95 123.07 3m46 s ARG 476 Ca 0.07 -0.57 -0.10 0.00 -0.47 0.00 0.00 55.73 54.66 3m46 s ARG 476 Cb -0.17 -0.20 0.22 0.00 -0.57 0.00 0.00 34.95 34.23 3m46 s ARG 476 CO -0.22 0.04 0.79 0.34 -1.08 0.00 0.00 175.30 175.16 3m46 s ASP 477 N -1.18 6.55 -0.35 -2.89 2.15 -0.52 -4.84 116.67 115.59 3m46 s ASP 477 Ca -0.08 -3.03 -0.06 0.00 0.43 0.00 0.00 52.55 49.81 3m46 s ASP 477 Cb -0.08 -2.12 0.05 0.00 -0.30 0.00 0.00 42.92 40.48 3m46 s ASP 477 CO -0.00 -0.43 0.12 -2.28 -0.17 0.00 0.00 175.17 172.40 3m46 s HIS 478 N -0.35 3.30 0.00 -5.34 2.46 -1.26 -1.32 115.29 112.78 3m46 s HIS 478 Ca 0.22 -1.63 0.00 0.00 0.47 0.00 0.00 55.06 54.12 3m46 s HIS 478 Cb -0.11 -2.44 0.00 0.00 -0.13 0.00 0.00 32.58 29.90 3m46 s HIS 478 CO -0.08 -0.78 0.00 0.00 -2.47 0.00 0.00 174.74 171.40 3m46 n ALA 479 N 4.77 0.00 -2.53 1.58 0.00 -0.71 -4.46 120.51 119.16 3m46 n ALA 479 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 3m46 n ALA 479 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.05 2.89 0.00 0.00 0.00 -1.26 -1.95 121.76 119.38 3m46 s ALA 480 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 49.91 3m46 s ALA 480 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3m46 s ALA 480 CO 0.00 0.10 0.00 -1.91 0.00 0.00 0.00 175.76 173.95 3m46 n GLU 481 N -0.75 0.00 0.00 0.00 2.13 -0.82 -4.80 120.64 116.39 3m46 n GLU 481 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 3m46 n GLU 481 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.34 3m46 n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3m46 n GLY 482 N 0.00 -0.60 3.74 8.31 0.00 -1.26 -4.14 105.19 111.24 3m46 n GLY 482 Ca 0.00 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 3m46 n GLY 482 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m46 s GLU 492 N -5.12 4.32 -0.43 1.61 8.01 -1.26 -4.19 118.70 121.64 3m46 s GLU 492 Ca 0.00 0.57 -0.02 0.00 0.01 0.00 0.00 54.97 55.53 3m46 s GLU 492 Cb 0.00 -3.41 0.00 0.00 -4.31 0.00 0.00 34.13 26.42 3m46 s GLU 492 CO 0.00 0.22 0.33 0.09 0.01 0.00 0.00 175.26 175.91 3m46 n ASN 493 N 3.38 -2.60 0.02 -0.19 4.13 -1.26 -4.81 115.26 113.92 3m46 n ASN 493 Ca -0.07 -0.50 0.01 0.00 1.68 0.00 0.00 54.58 55.71 3m46 n ASN 493 Cb 0.51 -0.86 0.04 0.00 -1.54 0.00 0.00 39.78 37.94 3m46 n ASN 493 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3m46 n ILE 494 N -1.53 1.10 0.25 2.41 -0.00 -1.26 -1.81 119.36 118.52 3m46 n ILE 494 Ca -0.17 0.53 0.10 0.00 -0.00 0.00 0.00 62.75 63.22 3m46 n ILE 494 Cb 0.38 -1.53 0.65 0.00 -0.00 0.00 0.00 39.64 39.14 3m46 n ILE 494 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.55 177.60 3m46 h GLU 495 N 0.00 0.00 -0.01 6.28 9.09 -1.99 -1.32 114.58 126.64 3m46 h GLU 495 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3m46 h GLU 495 Cb 0.44 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.54 3m46 h GLU 495 CO 0.00 0.15 -0.01 -0.44 0.05 0.00 0.00 179.01 178.77 3m46 h ASP 496 N 0.00 0.02 -0.25 3.06 3.32 -1.71 -1.12 116.42 119.74 3m46 h ASP 496 Ca -0.00 -0.55 0.06 0.00 0.02 0.00 0.00 57.03 56.56 3m46 h ASP 496 Cb 0.37 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 3m46 h ASP 496 CO 0.02 0.56 -0.27 0.15 -1.72 0.00 0.00 179.24 177.98 3m46 h PHE 497 N -0.53 -0.73 -0.66 4.55 3.04 -1.68 -2.09 116.94 118.84 3m46 h PHE 497 Ca 0.00 0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.03 3m46 h PHE 497 Cb 0.56 0.36 -0.05 0.00 2.56 0.00 0.00 35.95 39.38 3m46 h PHE 497 CO 0.12 -0.35 0.39 -0.09 -2.02 0.00 0.00 178.31 176.36 3m46 h ARG 498 N -0.28 0.73 -0.29 1.11 2.43 -1.27 -1.71 114.38 115.10 3m46 h ARG 498 Ca 0.14 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 3m46 h ARG 498 Cb 0.49 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 3m46 h ARG 498 CO -0.41 0.48 -0.06 0.77 -1.51 0.00 0.00 179.97 179.24 3m46 h SER 499 N 0.75 -0.24 0.10 -3.80 0.02 -0.78 0.49 113.55 110.10 3m46 h SER 499 Ca 0.28 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 3m46 h SER 499 Cb 0.09 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3m46 h SER 499 CO -0.14 -0.08 -0.05 0.58 -1.14 0.00 0.00 176.83 176.00 3m46 h VAL 500 N 0.02 0.99 0.00 2.27 2.07 -1.18 -2.31 116.25 118.10 3m46 h VAL 500 Ca 0.14 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3m46 h VAL 500 Cb 0.21 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3m46 h VAL 500 CO -0.28 0.09 -0.11 0.40 0.02 0.00 0.00 177.57 177.68 3m46 h ILE 501 N -0.30 1.00 -0.43 4.57 2.04 -1.01 -2.35 117.51 121.02 3m46 h ILE 501 Ca -0.01 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 3m46 h ILE 501 Cb 0.25 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3m46 h ILE 501 CO 0.02 0.11 0.10 0.78 0.00 0.00 0.00 178.15 179.16 3m46 h ASN 502 N 0.00 0.66 -0.92 1.72 2.35 0.31 -1.63 115.58 118.07 3m46 h ASN 502 Ca -0.00 -0.24 0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3m46 h ASN 502 Cb 0.20 -0.17 -0.08 0.00 0.05 0.00 0.00 38.32 38.32 3m46 h ASN 502 CO 0.01 0.73 0.55 0.00 -1.65 0.00 0.00 177.43 177.07 3m46 h ALA 503 N 0.96 1.37 0.55 -0.83 0.00 -0.90 0.29 119.26 120.70 3m46 h ALA 503 Ca 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3m46 h ALA 503 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3m46 h ALA 503 CO 0.00 0.15 -0.51 -0.09 0.00 0.00 0.00 179.25 178.80 3m46 h ARG 504 N 0.88 -1.01 -0.48 0.00 9.65 -1.10 -1.59 114.38 120.72 3m46 h ARG 504 Ca 0.46 0.07 0.02 0.00 -1.10 0.00 0.00 59.98 59.43 3m46 h ARG 504 Cb 0.46 0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 29.24 3m46 h ARG 504 CO -0.27 -0.67 0.29 1.88 2.80 0.00 0.00 179.97 184.00 3m46 h TYR 505 N -1.05 0.54 -0.82 2.20 -1.99 -0.49 -0.81 116.97 114.55 3m46 h TYR 505 Ca -0.07 0.02 0.24 0.00 2.00 0.00 0.00 58.73 60.91 3m46 h TYR 505 Cb 0.90 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 39.42 3m46 h TYR 505 CO -0.23 0.31 0.59 0.00 -0.00 0.00 0.00 178.16 178.82 3m46 h ARG 506 N 0.57 0.01 -0.02 4.88 3.08 -0.33 -1.36 114.38 121.21 3m46 h ARG 506 Ca 0.19 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3m46 h ARG 506 Cb 0.02 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3m46 h ARG 506 CO -0.09 0.01 -0.21 1.28 -1.07 0.00 0.00 179.97 179.89 3m46 n LEU 507 N -4.30 2.22 -0.02 3.04 4.77 -0.38 -1.14 117.00 121.19 3m46 n LEU 507 Ca 0.17 -0.76 -0.09 0.00 -0.03 0.00 0.00 56.01 55.29 3m46 n LEU 507 Cb 0.88 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.93 3m46 n LEU 507 CO 0.38 0.39 0.67 0.58 -1.33 0.00 0.00 177.39 178.08 3m46 h VAL 508 N 3.16 0.35 -0.79 4.08 2.07 -0.52 -1.47 116.25 123.14 3m46 h VAL 508 Ca 0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 3m46 h VAL 508 Cb 0.79 0.35 -0.11 0.00 -1.52 0.00 0.00 31.29 30.79 3m46 h VAL 508 CO 0.00 0.00 0.26 -0.65 0.02 0.00 0.00 177.57 177.20 3m46 h PRO 509 N -0.32 0.33 0.30 1.57 0.11 -1.81 -0.84 132.00 131.34 3m46 h PRO 509 Ca 0.11 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3m46 h PRO 509 Cb 0.50 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3m46 h PRO 509 CO -0.36 0.22 -0.14 -0.92 -0.21 0.00 0.00 178.00 176.59 3m46 h TYR 510 N 0.34 -0.37 -0.71 0.65 3.20 -1.68 -2.40 116.97 116.00 3m46 h TYR 510 Ca 0.46 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.26 3m46 h TYR 510 Cb 0.79 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 3m46 h TYR 510 CO -0.21 -0.03 0.22 -0.07 -1.64 0.00 0.00 178.16 176.43 3m46 h LEU 511 N -0.78 1.02 -0.68 2.82 3.38 -0.92 0.48 115.31 120.64 3m46 h LEU 511 Ca -0.04 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 3m46 h LEU 511 Cb 0.51 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3m46 h LEU 511 CO 0.07 0.95 0.21 0.22 0.09 0.00 0.00 178.44 179.98 3m46 h TYR 512 N 1.05 1.09 -0.47 1.13 3.20 -1.28 0.59 116.97 122.28 3m46 h TYR 512 Ca 0.23 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3m46 h TYR 512 Cb 0.30 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 3m46 h TYR 512 CO 0.02 0.88 0.26 1.03 -1.64 0.00 0.00 178.16 178.71 3m46 h SER 513 N 0.99 0.40 0.12 -2.11 0.87 -0.85 0.16 113.55 113.13 3m46 h SER 513 Ca 0.22 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.64 3m46 h SER 513 Cb 0.30 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3m46 h SER 513 CO -0.01 0.28 -0.57 -0.33 -0.53 0.00 0.00 176.83 175.67 3m46 h GLU 514 N 0.51 0.46 0.02 2.24 4.39 -0.62 -1.60 114.58 119.99 3m46 h GLU 514 Ca 0.20 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3m46 h GLU 514 Cb 0.06 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3m46 h GLU 514 CO -0.11 0.90 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.71 3m46 h TYR 515 N 0.35 -0.03 -0.47 4.33 3.20 -0.60 -1.70 116.97 122.06 3m46 h TYR 515 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3m46 h TYR 515 Cb 1.10 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 3m46 h TYR 515 CO 0.04 0.06 0.26 0.52 -1.64 0.00 0.00 178.16 177.40 3m46 h MET 516 N -0.11 0.64 -0.15 1.82 2.86 -0.91 0.46 114.93 119.54 3m46 h MET 516 Ca -0.00 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3m46 h MET 516 Cb 0.10 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3m46 h MET 516 CO 0.01 0.50 -0.13 0.87 1.06 0.00 0.00 176.91 179.22 3m46 h LYS 517 N 0.62 0.24 0.08 1.72 1.57 -1.24 -0.71 116.57 118.85 3m46 h LYS 517 Ca 0.16 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 3m46 h LYS 517 Cb 0.04 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.33 3m46 h LYS 517 CO -0.03 0.38 -0.69 0.00 -0.57 0.00 0.00 179.45 178.54 3m46 h ALA 518 N 1.64 -0.03 -0.61 3.86 0.00 -0.56 -2.37 119.26 121.19 3m46 h ALA 518 Ca 0.05 -0.64 0.07 0.00 0.00 0.00 0.00 54.91 54.39 3m46 h ALA 518 Cb 0.37 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3m46 h ALA 518 CO 0.02 0.34 0.30 0.00 0.00 0.00 0.00 179.25 179.92 3m46 h ALA 519 N 0.17 0.81 0.00 0.00 0.00 0.24 -1.26 119.26 119.22 3m46 h ALA 519 Ca -0.11 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3m46 h ALA 519 Cb 1.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 3m46 h ALA 519 CO 0.13 -0.06 -0.06 -0.07 0.00 0.00 0.00 179.25 179.19 3m46 h LEU 520 N 0.55 0.00 -3.35 0.00 3.38 -1.14 -3.04 115.31 111.71 3m46 h LEU 520 Ca 0.28 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 3m46 h LEU 520 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3m46 h LEU 520 CO -0.21 0.06 0.02 0.59 0.09 0.00 0.00 178.44 178.98 3m46 n ASN 521 N -3.12 3.46 -1.55 -0.43 3.02 -0.90 -4.95 115.26 110.79 3m46 n ASN 521 Ca 0.03 -3.32 -0.02 0.00 -0.03 0.00 0.00 54.58 51.25 3m46 n ASN 521 Cb 0.49 -0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.73 -0.80 -3.11 6.41 8.00 -0.88 -4.92 116.55 120.53 3m46 n ASP 522 Ca 0.28 0.19 -0.14 0.00 0.71 0.00 0.00 54.79 55.83 3m46 n ASP 522 Cb 1.01 -1.03 0.09 0.00 -0.02 0.00 0.00 41.12 41.16 3m46 n ASP 522 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3m46 n ASP 523 N -0.02 0.29 -4.69 -2.24 -0.08 -0.53 -4.74 116.55 104.55 3m46 n ASP 523 Ca -0.02 -1.38 -0.35 0.00 -1.51 0.00 0.00 54.79 51.53 3m46 n ASP 523 Cb 0.22 -0.46 -0.09 0.00 2.34 0.00 0.00 41.12 43.13 3m46 n ASP 523 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3m46 s MET 524 N -4.25 3.25 -0.04 -0.67 -1.94 -1.26 -4.59 119.30 109.81 3m46 s MET 524 Ca 0.37 -0.37 -0.26 0.00 -1.71 0.00 0.00 55.69 53.73 3m46 s MET 524 Cb -0.01 -2.92 -0.21 0.00 2.01 0.00 0.00 34.83 33.69 3m46 s MET 524 CO 0.26 0.61 1.19 -0.92 -0.01 0.00 0.00 175.02 176.15 3m46 h TYR 525 N 5.48 0.05 -3.78 -0.03 3.20 -1.92 -3.40 116.97 116.57 3m46 h TYR 525 Ca -0.48 -0.02 -0.68 0.00 3.14 0.00 0.00 58.73 60.69 3m46 h TYR 525 Cb 1.19 -0.01 -0.20 0.00 1.54 0.00 0.00 36.73 39.26 3m46 h TYR 525 CO 0.63 0.61 -0.73 -0.06 -1.64 0.00 0.00 178.16 176.97 3m46 s PHE 526 N -3.91 2.82 0.01 -3.82 0.08 -1.26 -1.04 117.98 110.87 3m46 s PHE 526 Ca -0.16 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 56.83 3m46 s PHE 526 Cb 0.01 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.82 3m46 s PHE 526 CO 0.69 0.30 -0.05 0.15 -0.10 0.00 0.00 175.22 176.20 3m46 s LYS 527 N -1.04 0.39 0.22 0.44 1.02 0.33 -4.61 119.74 116.49 3m46 s LYS 527 Ca 0.14 -0.39 -0.32 0.00 0.02 0.00 0.00 55.97 55.42 3m46 s LYS 527 Cb -0.11 -0.26 -0.12 0.00 -0.52 0.00 0.00 37.83 36.81 3m46 s LYS 527 CO 0.03 0.06 1.63 -2.30 -0.92 0.00 0.00 175.35 173.85 3m46 n PRO 528 N 2.36 2.56 -0.27 -1.68 -0.02 -1.26 -0.10 135.00 136.59 3m46 n PRO 528 Ca -0.17 0.92 0.24 0.00 -2.02 0.00 0.00 63.50 62.47 3m46 n PRO 528 Cb 0.57 -2.71 0.41 0.00 -0.02 0.00 0.00 33.50 31.75 3m46 n PRO 528 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3m46 n LEU 529 N 3.19 0.16 -0.29 2.45 4.32 -1.26 -0.98 117.00 124.59 3m46 n LEU 529 Ca 0.14 0.93 -0.04 0.00 -0.02 0.00 0.00 56.01 57.02 3m46 n LEU 529 Cb 0.34 -0.46 0.08 0.00 -1.62 0.00 0.00 43.42 41.76 3m46 n LEU 529 CO 0.64 -1.02 1.21 1.23 -1.22 0.00 0.00 177.39 178.22 3m46 h GLY 530 N 0.00 1.14 2.00 -0.72 0.00 -1.80 0.30 103.07 103.99 3m46 h GLY 530 Ca 0.55 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3m46 h GLY 530 CO -0.35 0.40 -0.08 0.74 0.00 0.00 0.00 176.54 177.25 3m46 h PHE 531 N 1.08 0.00 0.01 5.60 -1.00 -1.43 -1.29 116.94 119.90 3m46 h PHE 531 Ca 0.30 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.76 3m46 h PHE 531 Cb -0.10 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.41 3m46 h PHE 531 CO -0.02 0.08 -1.96 0.28 -1.61 0.00 0.00 178.31 175.08 3m46 n VAL 532 N -4.37 1.55 -3.33 -0.55 0.31 -0.84 -4.59 118.33 106.52 3m46 n VAL 532 Ca -0.03 -0.80 -0.26 0.00 -0.01 0.00 0.00 64.34 63.24 3m46 n VAL 532 Cb 0.16 -0.91 -0.07 0.00 -0.91 0.00 0.00 33.84 32.10 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 -2.98 2.50 0.23 3.52 4.01 0.99 -4.94 117.16 120.49 3m46 n TYR 533 Ca -0.24 -3.98 0.09 0.00 -0.16 0.00 0.00 57.90 53.61 3m46 n TYR 533 Cb 1.08 -0.50 0.58 0.00 -0.31 0.00 0.00 39.34 40.20 3m46 n TYR 533 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3m46 h PRO 534 N 4.03 0.00 -0.62 -0.72 0.13 -1.48 -2.94 132.00 130.40 3m46 h PRO 534 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3m46 h PRO 534 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3m46 h PRO 534 CO 0.73 0.20 0.00 -0.25 -0.23 0.00 0.00 178.00 178.44 3m46 n ASP 535 N -3.88 3.67 -4.07 1.44 8.00 -1.26 -4.78 116.55 115.67 3m46 n ASP 535 Ca -0.02 -2.34 -0.34 0.00 0.71 0.00 0.00 54.79 52.80 3m46 n ASP 535 Cb 0.29 -0.50 -0.12 0.00 -0.02 0.00 0.00 41.12 40.77 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 -0.78 5.04 0.61 -2.24 -1.08 -1.11 -4.96 116.67 112.15 3m46 s ASP 536 Ca 0.38 -2.30 0.31 0.00 -0.52 0.00 0.00 52.55 50.42 3m46 s ASP 536 Cb 0.25 -1.76 1.79 0.00 -1.46 0.00 0.00 42.92 41.73 3m46 s ASP 536 CO 0.18 -0.44 2.13 0.11 0.52 0.00 0.00 175.17 177.66 3m46 h LYS 537 N 7.61 0.00 0.02 4.34 1.79 -1.87 -0.62 116.57 127.84 3m46 h LYS 537 Ca -0.08 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3m46 h LYS 537 Cb 1.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 3m46 h LYS 537 CO 0.66 0.00 -0.01 1.98 -1.08 0.00 0.00 179.45 180.99 3m46 h MET 538 N 0.00 -0.03 -0.26 3.15 4.05 -1.95 -3.35 114.93 116.54 3m46 h MET 538 Ca 0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 3m46 h MET 538 Cb 0.41 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 3m46 h MET 538 CO -0.00 0.67 0.17 0.00 0.23 0.00 0.00 176.91 177.98 3m46 h ALA 539 N 0.11 1.81 0.00 0.39 0.00 -1.46 -2.69 119.26 117.42 3m46 h ALA 539 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3m46 h ALA 539 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3m46 h ALA 539 CO 0.01 0.17 0.00 0.44 0.00 0.00 0.00 179.25 179.87 3m46 n ILE 540 N -4.50 0.38 0.28 0.00 -5.35 -0.73 -2.67 119.36 106.77 3m46 n ILE 540 Ca 0.01 0.10 0.07 0.00 -0.27 0.00 0.00 62.75 62.66 3m46 n ILE 540 Cb 0.07 -0.71 0.12 0.00 -1.74 0.00 0.00 39.64 37.38 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 -1.43 1.73 -2.48 6.28 5.12 -1.01 -4.76 116.66 120.11 3m46 n ARG 541 Ca 0.07 -1.70 -0.42 0.00 -1.93 0.00 0.00 57.85 53.87 3m46 n ARG 541 Cb 0.24 -1.31 -0.03 0.00 -1.16 0.00 0.00 32.46 30.20 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 -1.13 4.03 0.00 1.55 1.01 -1.09 -4.94 120.40 119.83 3m46 s VAL 542 Ca 0.22 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.76 3m46 s VAL 542 Cb 0.14 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.52 3m46 s VAL 542 CO 0.19 0.18 0.02 -0.62 0.00 0.00 0.00 175.10 174.87 3m46 n GLU 543 N 3.31 5.26 -0.69 2.72 1.02 -1.26 -4.73 120.64 126.27 3m46 n GLU 543 Ca 0.06 -0.02 -0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3m46 n GLU 543 Cb 0.47 -0.41 0.23 0.00 -0.02 0.00 0.00 31.44 31.70 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 -0.76 3.29 -4.02 1.62 5.75 -1.26 -4.60 116.55 116.57 3m46 n ASP 544 Ca 0.00 -3.41 -0.10 0.00 -0.01 0.00 0.00 54.79 51.26 3m46 n ASP 544 Cb 0.00 -0.62 -0.11 0.00 -1.03 0.00 0.00 41.12 39.36 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 -3.06 0.43 0.05 0.11 -0.21 -1.26 -4.56 119.66 111.15 3m46 s GLN 545 Ca 0.45 -0.75 0.04 0.00 0.02 0.00 0.00 55.36 55.12 3m46 s GLN 545 Cb 0.39 -0.02 -0.02 0.00 1.00 0.00 0.00 33.01 34.35 3m46 s GLN 545 CO 0.05 -0.02 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.57 3m46 s LEU 546 N -1.71 2.21 0.02 2.90 1.43 -0.60 -4.47 118.68 118.46 3m46 s LEU 546 Ca -0.11 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.34 3m46 s LEU 546 Cb -0.08 -0.43 -0.06 0.00 0.03 0.00 0.00 46.19 45.66 3m46 s LEU 546 CO -0.02 -0.06 0.46 -0.04 0.23 0.00 0.00 176.35 176.93 3m46 s MET 547 N -1.34 4.01 -0.12 1.70 -1.94 0.86 0.24 119.30 122.72 3m46 s MET 547 Ca -0.03 0.52 0.03 0.00 -1.71 0.00 0.00 55.69 54.50 3m46 s MET 547 Cb -0.09 -3.23 0.01 0.00 2.01 0.00 0.00 34.83 33.54 3m46 s MET 547 CO 0.01 0.68 -0.20 -1.17 -0.01 0.00 0.00 175.02 174.32 3m46 s LEU 548 N -1.09 1.99 0.00 -0.03 0.20 -0.00 -0.52 118.68 119.23 3m46 s LEU 548 Ca 0.25 -0.54 0.00 0.00 0.69 0.00 0.00 54.13 54.54 3m46 s LEU 548 Cb -0.18 -1.32 0.00 0.00 -0.43 0.00 0.00 46.19 44.26 3m46 s LEU 548 CO 0.15 0.08 0.00 0.61 -0.29 0.00 0.00 176.35 176.90 3m46 n GLY 549 N 3.96 3.06 0.06 7.98 0.00 -0.20 -2.88 105.19 117.17 3m46 n GLY 549 Ca -0.20 0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 3.58 1.74 0.00 1.61 3.02 -1.26 -4.82 115.26 119.14 3m46 n ASN 550 Ca 0.00 -2.26 0.00 0.00 -0.03 0.00 0.00 54.58 52.29 3m46 n ASN 550 Cb 0.00 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 -0.73 2.45 -4.18 3.52 4.71 -1.23 -4.96 120.64 120.22 3m46 n GLU 551 Ca 0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 57.02 3m46 n GLU 551 Cb 0.45 -0.81 -0.12 0.00 -1.01 0.00 0.00 31.44 29.95 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 -1.59 1.16 -0.12 -3.67 -4.36 -1.14 -0.26 121.20 111.22 3m46 s ILE 552 Ca 0.00 -1.35 -0.01 0.00 -0.26 0.00 0.00 60.65 59.02 3m46 s ILE 552 Cb 0.00 -1.14 -0.03 0.00 1.25 0.00 0.00 42.46 42.55 3m46 s ILE 552 CO 0.00 -0.24 -0.06 -0.32 0.24 0.00 0.00 174.94 174.56 3m46 s MET 553 N -1.83 3.26 0.20 0.37 -2.45 0.43 -0.82 119.30 118.45 3m46 s MET 553 Ca -0.01 -0.55 0.05 0.00 -1.25 0.00 0.00 55.69 53.93 3m46 s MET 553 Cb -0.10 -2.74 -0.04 0.00 1.25 0.00 0.00 34.83 33.21 3m46 s MET 553 CO 0.02 0.41 0.22 0.96 1.05 0.00 0.00 175.02 177.69 3m46 s ILE 554 N -0.12 4.74 -0.46 10.11 -4.36 0.14 -0.97 121.20 130.28 3m46 s ILE 554 Ca 0.02 -1.11 0.06 0.00 -0.26 0.00 0.00 60.65 59.36 3m46 s ILE 554 Cb -0.13 -3.50 0.19 0.00 1.25 0.00 0.00 42.46 40.26 3m46 s ILE 554 CO 0.03 -0.23 0.71 0.00 0.24 0.00 0.00 174.94 175.69 3m46 s ALA 555 N -1.92 -2.41 0.49 2.27 0.00 -1.26 -1.56 121.76 117.36 3m46 s ALA 555 Ca 0.33 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.04 3m46 s ALA 555 Cb -0.09 -2.75 -0.08 0.00 0.00 0.00 0.00 23.12 20.19 3m46 s ALA 555 CO 0.26 -2.25 1.05 -1.25 0.00 0.00 0.00 175.76 173.56 3m46 s PRO 556 N 1.34 3.77 -0.08 0.00 0.04 -1.26 -4.94 135.00 133.87 3m46 s PRO 556 Ca 0.23 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 3m46 s PRO 556 Cb -0.01 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3m46 s PRO 556 CO -0.06 -0.46 1.09 0.08 0.04 0.00 0.00 177.00 177.68 3m46 s VAL 557 N -1.93 4.57 -0.24 -0.36 1.01 -1.26 -4.94 120.40 117.24 3m46 s VAL 557 Ca 0.67 1.86 0.14 0.00 0.00 0.00 0.00 61.98 64.65 3m46 s VAL 557 Cb -0.18 -4.19 0.46 0.00 0.00 0.00 0.00 36.38 32.48 3m46 s VAL 557 CO 0.21 0.00 1.17 0.00 0.00 0.00 0.00 175.10 176.48 3m46 n TYR 558 N 5.07 1.62 -4.52 5.22 0.18 -1.26 -4.88 117.16 118.59 3m46 n TYR 558 Ca 0.10 -1.91 -0.24 0.00 1.88 0.00 0.00 57.90 57.73 3m46 n TYR 558 Cb 0.48 -0.28 -0.16 0.00 -0.38 0.00 0.00 39.34 39.00 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 -3.25 1.51 0.27 -3.48 2.02 -1.26 -4.71 118.70 109.80 3m46 s GLU 559 Ca 0.40 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.73 3m46 s GLU 559 Cb 0.38 -1.28 -0.11 0.00 0.10 0.00 0.00 34.13 33.22 3m46 s GLU 559 CO -0.02 0.03 1.50 -1.14 0.02 0.00 0.00 175.26 175.65 3m46 s GLN 560 N 0.63 4.21 0.00 1.61 0.74 -1.26 -2.84 119.66 122.75 3m46 s GLN 560 Ca -0.13 2.42 0.00 0.00 0.05 0.00 0.00 55.36 57.70 3m46 s GLN 560 Cb -0.15 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.89 3m46 s GLN 560 CO 0.03 -0.51 0.00 0.09 -0.55 0.00 0.00 175.29 174.35 3m46 n ASN 561 N 2.25 -2.28 -4.80 6.67 3.02 -1.26 -5.01 115.26 113.85 3m46 n ASN 561 Ca 0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.28 3m46 n ASN 561 Cb 0.39 -0.73 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 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 -2.43 3.01 -1.73 5.41 0.00 -1.13 -4.97 121.76 119.91 3m46 s ALA 562 Ca 0.00 0.54 0.24 0.00 0.00 0.00 0.00 51.96 52.74 3m46 s ALA 562 Cb 0.00 -3.21 0.21 0.00 0.00 0.00 0.00 23.12 20.12 3m46 s ALA 562 CO 0.00 -0.08 1.22 0.54 0.00 0.00 0.00 175.76 177.43 3m46 n ARG 563 N -0.50 0.84 -3.29 0.00 3.00 -1.26 -4.84 116.66 110.61 3m46 n ARG 563 Ca 0.07 -0.64 0.00 0.00 -0.01 0.00 0.00 57.85 57.27 3m46 n ARG 563 Cb 0.52 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.49 3m46 n ARG 563 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3m46 n GLY 564 N 1.42 -0.94 3.71 -0.13 0.00 -1.25 0.49 105.19 108.49 3m46 n GLY 564 Ca 0.09 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.58 1.51 0.20 1.61 1.70 -0.88 -4.90 118.95 117.60 3m46 s ARG 565 Ca 0.00 -0.77 -0.25 0.00 -0.47 0.00 0.00 55.73 54.24 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 -0.68 0.81 0.71 -1.08 0.00 0.00 175.30 175.05 3m46 s TYR 566 N -3.73 3.86 0.09 5.89 2.02 -1.26 -1.52 117.35 122.70 3m46 s TYR 566 Ca 0.08 1.65 0.05 0.00 -0.37 0.00 0.00 57.07 58.48 3m46 s TYR 566 Cb -0.04 -2.79 -0.03 0.00 -0.40 0.00 0.00 41.96 38.70 3m46 s TYR 566 CO 0.00 0.46 -0.13 0.14 -1.57 0.00 0.00 175.55 174.45 3m46 s VAL 567 N -1.25 1.10 -0.15 0.71 -7.23 0.47 -4.98 120.40 109.08 3m46 s VAL 567 Ca 0.39 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 59.01 3m46 s VAL 567 Cb -0.22 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 3m46 s VAL 567 CO 0.26 -0.37 0.05 -0.47 -0.31 0.00 0.00 175.10 174.26 3m46 s TYR 568 N -1.81 3.25 -0.22 2.82 5.04 -1.26 -0.66 117.35 124.50 3m46 s TYR 568 Ca 0.02 0.12 -0.02 0.00 -2.44 0.00 0.00 57.07 54.75 3m46 s TYR 568 Cb -0.07 -1.98 0.01 0.00 0.35 0.00 0.00 41.96 40.27 3m46 s TYR 568 CO 0.02 0.28 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.91 3m46 s LEU 569 N -0.10 2.78 0.08 6.97 1.43 0.75 -4.95 118.68 125.65 3m46 s LEU 569 Ca 0.06 -0.59 0.26 0.00 -1.03 0.00 0.00 54.13 52.82 3m46 s LEU 569 Cb -0.12 -1.65 1.00 0.00 0.03 0.00 0.00 46.19 45.45 3m46 s LEU 569 CO 0.01 -0.05 1.80 -2.65 0.23 0.00 0.00 176.35 175.70 3m46 n PRO 570 N 4.72 0.09 -3.83 1.29 -0.02 -1.26 0.18 135.00 136.16 3m46 n PRO 570 Ca -0.18 0.14 -0.09 0.00 -2.02 0.00 0.00 63.50 61.34 3m46 n PRO 570 Cb 0.50 -1.62 -0.04 0.00 -0.02 0.00 0.00 33.50 32.31 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 1.42 0.29 -0.52 -1.05 -1.26 -4.88 118.70 109.64 3m46 s GLU 571 Ca 0.11 -1.00 -0.30 0.00 -0.15 0.00 0.00 54.97 53.64 3m46 s GLU 571 Cb 0.15 0.50 -0.13 0.00 -0.44 0.00 0.00 34.13 34.21 3m46 s GLU 571 CO 0.50 -0.60 1.38 -1.91 0.95 0.00 0.00 175.26 175.59 3m46 n GLU 572 N -0.34 2.16 -4.01 -4.83 2.13 -1.26 -4.12 120.64 110.36 3m46 n GLU 572 Ca -0.07 0.76 -0.08 0.00 0.66 0.00 0.00 57.16 58.43 3m46 n GLU 572 Cb 0.62 -2.40 -0.09 0.00 0.27 0.00 0.00 31.44 29.83 3m46 n GLU 572 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3m46 s MET 573 N -1.02 0.65 -0.16 5.31 -1.94 -0.12 -1.96 119.30 120.07 3m46 s MET 573 Ca 0.62 -1.08 -0.21 0.00 -1.71 0.00 0.00 55.69 53.32 3m46 s MET 573 Cb -0.60 0.24 -0.03 0.00 2.01 0.00 0.00 34.83 36.45 3m46 s MET 573 CO 0.55 -0.15 0.62 0.15 -0.01 0.00 0.00 175.02 176.18 3m46 s LYS 574 N -3.66 4.28 -0.32 2.03 1.02 0.12 0.02 119.74 123.23 3m46 s LYS 574 Ca 0.04 0.64 -0.20 0.00 0.02 0.00 0.00 55.97 56.47 3m46 s LYS 574 Cb 0.05 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3m46 s LYS 574 CO -0.09 -0.12 0.63 0.12 -0.92 0.00 0.00 175.35 174.97 3m46 s PHE 575 N 1.49 3.19 0.01 3.18 5.36 0.48 -0.89 117.98 130.80 3m46 s PHE 575 Ca 0.30 0.50 0.05 0.00 -0.96 0.00 0.00 56.93 56.82 3m46 s PHE 575 Cb -0.16 -3.04 -0.03 0.00 -0.34 0.00 0.00 43.02 39.45 3m46 s PHE 575 CO 0.12 -0.52 -0.12 0.42 -1.46 0.00 0.00 175.22 173.65 3m46 s ILE 576 N 2.64 3.24 -0.05 3.12 -1.09 0.02 -0.50 121.20 128.58 3m46 s ILE 576 Ca 0.25 -0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 57.74 3m46 s ILE 576 Cb -0.15 -2.37 0.03 0.00 -1.58 0.00 0.00 42.46 38.39 3m46 s ILE 576 CO 0.13 0.41 0.03 -0.54 -1.23 0.00 0.00 174.94 173.74 3m46 s LYS 577 N -1.30 0.25 -0.03 2.79 1.02 -1.04 -1.94 119.74 119.49 3m46 s LYS 577 Ca 0.15 0.25 -0.30 0.00 0.02 0.00 0.00 55.97 56.09 3m46 s LYS 577 Cb -0.11 -0.72 -0.06 0.00 -0.52 0.00 0.00 37.83 36.42 3m46 s LYS 577 CO 0.05 -0.31 1.63 -0.06 -0.92 0.00 0.00 175.35 175.74 3m46 s PHE 578 N 2.04 2.13 -0.06 3.18 0.40 -0.69 -1.92 117.98 123.06 3m46 s PHE 578 Ca 0.05 0.27 -0.03 0.00 -0.60 0.00 0.00 56.93 56.62 3m46 s PHE 578 Cb -0.12 -3.90 -0.04 0.00 0.51 0.00 0.00 43.02 39.47 3m46 s PHE 578 CO -0.04 -3.72 0.06 -1.64 0.70 0.00 0.00 175.22 170.59 3m46 s MET 579 N 3.66 3.12 0.19 0.44 -1.94 -0.63 -2.29 119.30 121.85 3m46 s MET 579 Ca 0.72 -0.37 -0.22 0.00 -1.71 0.00 0.00 55.69 54.12 3m46 s MET 579 Cb -0.34 -2.91 0.11 0.00 2.01 0.00 0.00 34.83 33.70 3m46 s MET 579 CO 0.30 0.70 1.58 -1.35 -0.01 0.00 0.00 175.02 176.23 3m46 h PRO 580 N 4.74 -0.15 0.00 2.03 0.11 -1.88 0.45 132.00 137.29 3m46 h PRO 580 Ca -0.51 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3m46 h PRO 580 Cb 1.20 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3m46 h PRO 580 CO 0.58 -0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 3m46 n ASP 581 N -5.43 0.00 0.00 -2.05 3.85 -1.26 -4.78 116.55 106.88 3m46 n ASP 581 Ca 0.04 0.07 0.00 0.00 -0.71 0.00 0.00 54.79 54.20 3m46 n ASP 581 Cb 0.36 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 3m46 n ASP 581 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3m46 n GLY 582 N -1.06 1.10 3.79 6.12 0.00 0.16 -5.08 105.19 110.22 3m46 n GLY 582 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.92 3.08 -0.22 1.61 1.04 -1.25 -4.78 113.70 110.26 3m46 s SER 583 Ca 0.00 0.75 -0.02 0.00 0.48 0.00 0.00 55.95 57.17 3m46 s SER 583 Cb 0.00 -1.16 0.06 0.00 0.10 0.00 0.00 66.02 65.03 3m46 s SER 583 CO 0.00 -2.80 0.02 -0.63 0.98 0.00 0.00 173.24 170.81 3m46 s ILE 584 N -3.38 0.85 0.67 -1.02 1.01 -1.26 -1.60 121.20 116.47 3m46 s ILE 584 Ca 0.67 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 3m46 s ILE 584 Cb -0.11 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 3m46 s ILE 584 CO 0.53 -0.22 1.05 -0.94 0.00 0.00 0.00 174.94 175.36 3m46 s SER 585 N 1.70 5.71 -0.17 3.58 1.04 -0.81 -4.88 113.70 119.87 3m46 s SER 585 Ca -0.01 1.44 -0.09 0.00 0.48 0.00 0.00 55.95 57.77 3m46 s SER 585 Cb -0.18 -2.38 0.07 0.00 0.10 0.00 0.00 66.02 63.63 3m46 s SER 585 CO -0.09 -1.21 0.40 -1.61 0.98 0.00 0.00 173.24 171.71 3m46 s GLU 586 N -5.15 0.37 -0.01 4.02 2.02 -1.25 -2.48 118.70 116.20 3m46 s GLU 586 Ca 0.57 0.83 0.01 0.00 0.02 0.00 0.00 54.97 56.40 3m46 s GLU 586 Cb -0.12 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.16 3m46 s GLU 586 CO 0.54 -0.18 -0.03 -2.00 0.02 0.00 0.00 175.26 173.60 3m46 s GLU 587 N 1.68 0.38 -0.21 1.61 2.12 0.35 -4.94 118.70 119.68 3m46 s GLU 587 Ca -0.08 -0.11 -0.23 0.00 0.36 0.00 0.00 54.97 54.92 3m46 s GLU 587 Cb -0.09 -0.40 -0.02 0.00 0.26 0.00 0.00 34.13 33.88 3m46 s GLU 587 CO -0.13 0.04 0.73 0.08 -0.54 0.00 0.00 175.26 175.44 3m46 s VAL 588 N 0.19 4.94 -0.12 3.70 1.01 -1.26 0.18 120.40 129.03 3m46 s VAL 588 Ca -0.02 1.37 0.03 0.00 0.00 0.00 0.00 61.98 63.36 3m46 s VAL 588 Cb -0.05 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3m46 s VAL 588 CO -0.00 0.03 -0.21 -0.76 0.00 0.00 0.00 175.10 174.16 3m46 s LEU 589 N 2.30 2.20 1.04 3.92 1.43 0.10 -4.94 118.68 124.72 3m46 s LEU 589 Ca 0.32 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 3m46 s LEU 589 Cb -0.16 -1.46 0.21 0.00 0.03 0.00 0.00 46.19 44.81 3m46 s LEU 589 CO 0.10 0.12 1.07 -1.61 0.23 0.00 0.00 176.35 176.26 3m46 s GLU 590 N 0.58 0.10 0.27 1.70 2.02 -1.26 -0.94 118.70 121.17 3m46 s GLU 590 Ca -0.12 0.76 -0.30 0.00 0.02 0.00 0.00 54.97 55.33 3m46 s GLU 590 Cb -0.17 -1.68 -0.13 0.00 0.10 0.00 0.00 34.13 32.25 3m46 s GLU 590 CO 0.03 -3.01 1.28 1.17 0.02 0.00 0.00 175.26 174.75 3m46 n LYS 591 N -4.41 1.86 0.00 1.61 4.81 -1.26 -4.68 118.16 116.09 3m46 n LYS 591 Ca 0.05 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 3m46 n LYS 591 Cb 0.55 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.38 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 1.60 0.99 3.66 3.14 0.00 0.13 -4.94 105.19 109.77 3m46 n GLY 592 Ca 0.10 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.38 5.00 0.24 1.61 1.01 -1.26 -0.18 120.40 125.44 3m46 s VAL 593 Ca 0.00 1.23 0.06 0.00 0.00 0.00 0.00 61.98 63.27 3m46 s VAL 593 Cb 0.00 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3m46 s VAL 593 CO 0.00 0.10 -0.07 -1.00 0.00 0.00 0.00 175.10 174.13 3m46 s HIS 594 N 1.96 1.74 -0.11 5.22 3.76 0.16 -5.01 115.29 123.01 3m46 s HIS 594 Ca 0.30 -0.73 -0.01 0.00 -0.15 0.00 0.00 55.06 54.47 3m46 s HIS 594 Cb -0.16 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 3m46 s HIS 594 CO 0.10 0.20 -0.07 -0.47 -0.85 0.00 0.00 174.74 173.65 3m46 s TYR 595 N -3.13 2.93 -0.04 1.40 5.04 -1.26 -0.39 117.35 121.90 3m46 s TYR 595 Ca 0.26 -0.23 0.05 0.00 -2.44 0.00 0.00 57.07 54.72 3m46 s TYR 595 Cb 0.03 -1.82 -0.01 0.00 0.35 0.00 0.00 41.96 40.51 3m46 s TYR 595 CO 0.09 0.09 -0.20 0.14 -1.34 0.00 0.00 175.55 174.32 3m46 s VAL 596 N -0.15 1.66 -0.01 3.14 -7.23 -0.58 -4.99 120.40 112.25 3m46 s VAL 596 Ca 0.02 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 3m46 s VAL 596 Cb -0.13 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 3m46 s VAL 596 CO 0.03 0.47 1.02 -1.81 -0.31 0.00 0.00 175.10 174.50 3m46 s ASP 597 N -0.14 7.30 -0.21 4.85 1.01 -1.26 -2.07 116.67 126.14 3m46 s ASP 597 Ca -0.01 1.69 -0.04 0.00 0.71 0.00 0.00 52.55 54.90 3m46 s ASP 597 Cb -0.11 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.34 3m46 s ASP 597 CO 0.02 -0.34 0.20 -0.69 0.21 0.00 0.00 175.17 174.57 3m46 s VAL 598 N 1.25 -0.27 0.66 -1.27 1.01 0.18 -4.93 120.40 117.04 3m46 s VAL 598 Ca 0.52 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 3m46 s VAL 598 Cb -0.22 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3m46 s VAL 598 CO 0.26 -0.28 1.05 0.00 0.00 0.00 0.00 175.10 176.13 3m46 s ALA 599 N 2.28 2.90 0.53 5.51 0.00 -1.26 -3.87 121.76 127.86 3m46 s ALA 599 Ca 0.06 -0.07 0.25 0.00 0.00 0.00 0.00 51.96 52.20 3m46 s ALA 599 Cb -0.16 -3.11 1.40 0.00 0.00 0.00 0.00 23.12 21.26 3m46 s ALA 599 CO -0.15 -0.96 2.02 -0.07 0.00 0.00 0.00 175.76 176.60 3m46 h LEU 600 N -0.52 0.00 -3.85 0.00 3.38 -1.93 -1.87 115.31 110.53 3m46 h LEU 600 Ca -0.44 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.17 3m46 h LEU 600 Cb 1.21 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.75 3m46 h LEU 600 CO 0.60 0.00 0.44 -0.46 0.09 0.00 0.00 178.44 179.11 3m46 n ASN 601 N -4.34 4.28 -4.10 -0.43 0.23 -1.26 -4.73 115.26 104.91 3m46 n ASN 601 Ca 0.08 -3.42 -0.24 0.00 -0.53 0.00 0.00 54.58 50.47 3m46 n ASN 601 Cb 0.53 -0.79 -0.16 0.00 -2.08 0.00 0.00 39.78 37.29 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 -3.15 1.49 -0.35 -3.83 2.02 -0.70 -3.80 118.70 110.38 3m46 s GLU 602 Ca 0.56 -0.52 -0.05 0.00 0.02 0.00 0.00 54.97 54.99 3m46 s GLU 602 Cb 0.46 -1.33 0.07 0.00 0.10 0.00 0.00 34.13 33.42 3m46 s GLU 602 CO 0.12 0.22 0.12 0.08 0.02 0.00 0.00 175.26 175.82 3m46 s VAL 603 N 0.04 3.48 0.67 2.63 1.01 -0.97 -4.72 120.40 122.54 3m46 s VAL 603 Ca -0.02 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.37 3m46 s VAL 603 Cb -0.10 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 3m46 s VAL 603 CO 0.01 -0.33 1.07 -2.16 0.00 0.00 0.00 175.10 173.69 3m46 s PRO 604 N 1.30 3.14 -0.08 2.72 0.05 -1.26 -1.70 135.00 139.17 3m46 s PRO 604 Ca 0.00 0.63 -0.32 0.00 0.05 0.00 0.00 61.00 61.36 3m46 s PRO 604 Cb -0.21 -2.04 0.13 0.00 0.05 0.00 0.00 34.50 32.43 3m46 s PRO 604 CO -0.00 -0.87 1.31 -0.48 0.05 0.00 0.00 177.00 177.01 3m46 s LEU 605 N -5.32 -0.06 -0.11 -3.56 0.05 -0.82 -4.79 118.68 104.08 3m46 s LEU 605 Ca 0.57 -0.08 0.01 0.00 0.05 0.00 0.00 54.13 54.68 3m46 s LEU 605 Cb -0.11 1.29 0.02 0.00 -2.05 0.00 0.00 46.19 45.33 3m46 s LEU 605 CO 0.53 -0.21 -0.12 -0.36 -0.55 0.00 0.00 176.35 175.63 3m46 s PHE 606 N -2.32 1.78 -0.08 3.48 0.08 -0.14 -0.80 117.98 119.98 3m46 s PHE 606 Ca 0.13 -0.86 -0.16 0.00 0.12 0.00 0.00 56.93 56.16 3m46 s PHE 606 Cb 0.04 -1.34 -0.05 0.00 -0.57 0.00 0.00 43.02 41.10 3m46 s PHE 606 CO -0.04 -0.49 0.43 0.42 -0.10 0.00 0.00 175.22 175.44 3m46 s ILE 607 N 1.21 5.13 0.46 0.64 -1.09 -0.07 -0.43 121.20 127.05 3m46 s ILE 607 Ca -0.03 0.87 -0.20 0.00 -2.23 0.00 0.00 60.65 59.06 3m46 s ILE 607 Cb -0.14 -3.76 -0.10 0.00 -1.58 0.00 0.00 42.46 36.88 3m46 s ILE 607 CO -0.04 0.43 0.97 -0.13 -1.23 0.00 0.00 174.94 174.94 3m46 s ARG 608 N -0.03 4.10 -0.07 2.79 0.52 0.64 -0.70 118.95 126.20 3m46 s ARG 608 Ca 0.24 1.13 -0.38 0.00 -0.52 0.00 0.00 55.73 56.20 3m46 s ARG 608 Cb -0.15 -2.16 -0.16 0.00 0.52 0.00 0.00 34.95 33.00 3m46 s ARG 608 CO 0.11 -0.14 1.57 0.45 0.02 0.00 0.00 175.30 177.30 3m46 n SER 609 N -0.88 2.20 0.00 0.23 2.88 -0.83 -1.70 113.62 115.53 3m46 n SER 609 Ca 0.07 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 3m46 n SER 609 Cb 0.54 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 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 3.42 0.86 3.13 0.46 0.00 -1.26 -5.05 105.19 106.75 3m46 n GLY 610 Ca 0.22 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.70 0.72 0.06 1.61 3.01 -0.69 -4.67 119.74 119.09 3m46 s LYS 611 Ca 0.00 -1.20 -0.04 0.00 -1.01 0.00 0.00 55.97 53.72 3m46 s LYS 611 Cb 0.00 -0.11 -0.02 0.00 -1.01 0.00 0.00 37.83 36.69 3m46 s LYS 611 CO 0.00 -0.03 0.06 0.00 0.51 0.00 0.00 175.35 175.89 3m46 s ILE 613 N -3.68 0.85 0.16 0.00 -4.36 0.90 -4.74 121.20 110.33 3m46 s ILE 613 Ca 0.04 -1.40 -0.18 0.00 -0.26 0.00 0.00 60.65 58.85 3m46 s ILE 613 Cb 0.05 -1.07 -0.07 0.00 1.25 0.00 0.00 42.46 42.61 3m46 s ILE 613 CO -0.09 -0.44 0.64 -2.16 0.24 0.00 0.00 174.94 173.12 3m46 s PRO 614 N -2.22 4.17 -0.03 0.37 0.04 -1.26 0.38 135.00 136.45 3m46 s PRO 614 Ca -0.01 0.73 0.01 0.00 0.04 0.00 0.00 61.00 61.78 3m46 s PRO 614 Cb -0.06 -2.99 0.02 0.00 0.04 0.00 0.00 34.50 31.50 3m46 s PRO 614 CO 0.00 0.48 -0.04 0.08 0.04 0.00 0.00 177.00 177.57 3m46 s VAL 615 N -1.40 0.46 0.45 -0.36 1.01 -0.63 -4.49 120.40 115.44 3m46 s VAL 615 Ca 0.38 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 3m46 s VAL 615 Cb -0.17 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 3m46 s VAL 615 CO 0.20 0.19 0.79 0.00 0.00 0.00 0.00 175.10 176.28 3m46 s ALA 616 N 0.67 3.36 0.65 5.51 0.00 -0.30 -2.21 121.76 129.45 3m46 s ALA 616 Ca -0.08 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 3m46 s ALA 616 Cb -0.12 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 3m46 s ALA 616 CO -0.00 -0.19 1.21 0.39 0.00 0.00 0.00 175.76 177.17 3m46 n GLU 617 N -1.80 1.00 -1.73 0.00 -0.58 -1.26 -4.54 120.64 111.74 3m46 n GLU 617 Ca 0.02 0.40 -0.42 0.00 -0.42 0.00 0.00 57.16 56.73 3m46 n GLU 617 Cb 0.54 -2.45 -0.02 0.00 -0.57 0.00 0.00 31.44 28.95 3m46 n GLU 617 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3m46 n ALA 618 N -1.98 2.12 -2.39 0.62 0.00 -1.26 -4.58 120.51 113.04 3m46 n ALA 618 Ca 0.15 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 3m46 n ALA 618 Cb 0.48 -2.40 -0.10 0.00 0.00 0.00 0.00 19.45 17.42 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 -0.18 0.98 -2.43 0.00 0.00 -1.26 -5.01 121.76 113.86 3m46 s ALA 619 Ca 0.63 -1.21 0.22 0.00 0.00 0.00 0.00 51.96 51.61 3m46 s ALA 619 Cb -0.53 0.09 0.54 0.00 0.00 0.00 0.00 23.12 23.21 3m46 s ALA 619 CO 0.51 -0.13 1.45 0.39 0.00 0.00 0.00 175.76 177.98 3m46 n GLU 620 N 0.38 2.20 -3.49 0.00 1.02 -1.26 -4.68 120.64 114.81 3m46 n GLU 620 Ca -0.15 -1.81 -0.11 0.00 -0.02 0.00 0.00 57.16 55.08 3m46 n GLU 620 Cb 0.59 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.52 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 2.00 1.21 -0.85 0.00 2.07 -1.89 -2.97 116.25 115.82 3m46 h VAL 622 Ca -0.30 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.52 3m46 h VAL 622 Cb 1.29 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3m46 h VAL 622 CO 0.35 0.27 0.55 0.50 0.02 0.00 0.00 177.57 179.26 3m46 h LYS 623 N 0.74 1.07 -0.43 1.57 3.64 -1.98 -2.97 116.57 118.21 3m46 h LYS 623 Ca 0.17 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3m46 h LYS 623 Cb 0.24 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3m46 h LYS 623 CO -0.01 0.71 0.00 -0.25 -2.27 0.00 0.00 179.45 177.63 3m46 n ASP 624 N -4.53 1.97 -4.69 4.20 8.00 -1.12 -4.84 116.55 115.54 3m46 n ASP 624 Ca 0.10 -2.09 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 3m46 n ASP 624 Cb 0.05 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.62 4.21 -0.81 0.53 1.01 -1.13 -4.90 121.20 118.49 3m46 s ILE 625 Ca 0.21 1.55 -0.19 0.00 0.00 0.00 0.00 60.65 62.22 3m46 s ILE 625 Cb 0.12 -4.00 0.12 0.00 0.01 0.00 0.00 42.46 38.72 3m46 s ILE 625 CO 0.12 0.02 0.99 -0.62 0.00 0.00 0.00 174.94 175.45 3m46 s ASP 626 N 1.42 6.47 0.00 3.58 2.15 -1.26 -4.85 116.67 124.18 3m46 s ASP 626 Ca 0.57 -1.79 0.21 0.00 0.43 0.00 0.00 52.55 51.96 3m46 s ASP 626 Cb -0.26 -2.37 0.53 0.00 -0.30 0.00 0.00 42.92 40.53 3m46 s ASP 626 CO 0.23 -1.10 1.45 0.35 -0.17 0.00 0.00 175.17 175.94 3m46 n THR 627 N 5.44 0.63 0.00 1.71 -2.24 -1.26 -4.56 114.28 114.00 3m46 n THR 627 Ca 0.12 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3m46 n THR 627 Cb 0.47 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 3m46 n THR 627 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3m46 n GLU 628 N 1.26 0.00 -1.89 -0.78 -0.58 -1.26 -4.64 120.64 112.75 3m46 n GLU 628 Ca 0.20 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.55 3m46 n GLU 628 Cb 0.53 -0.03 -0.03 0.00 -0.57 0.00 0.00 31.44 31.34 3m46 n GLU 628 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3m46 s ASN 629 N -1.45 5.18 0.21 1.62 0.02 -1.26 -4.97 114.94 114.29 3m46 s ASN 629 Ca 0.00 0.78 0.11 0.00 -1.02 0.00 0.00 52.86 52.73 3m46 s ASN 629 Cb 0.00 -2.52 -0.05 0.00 0.02 0.00 0.00 41.25 38.70 3m46 s ASN 629 CO 0.00 -2.36 -0.23 -0.04 0.02 0.00 0.00 177.10 174.49 3m46 s MET 630 N 7.06 1.54 0.38 -0.60 -1.94 -1.26 -4.86 119.30 119.62 3m46 s MET 630 Ca 0.79 -1.57 -0.15 0.00 -1.71 0.00 0.00 55.69 53.05 3m46 s MET 630 Cb -0.16 -1.81 -0.08 0.00 2.01 0.00 0.00 34.83 34.78 3m46 s MET 630 CO 0.25 0.38 0.80 1.14 -0.01 0.00 0.00 175.02 177.58 3m46 s GLN 631 N -2.85 3.96 -0.25 2.03 -2.07 -0.94 -4.89 119.66 114.65 3m46 s GLN 631 Ca 0.22 0.70 -0.10 0.00 -1.82 0.00 0.00 55.36 54.36 3m46 s GLN 631 Cb -0.07 -2.36 -0.05 0.00 -1.09 0.00 0.00 33.01 29.44 3m46 s GLN 631 CO 0.11 0.03 0.15 -0.51 -1.32 0.00 0.00 175.29 173.75 3m46 s LEU 632 N -3.37 4.00 -0.09 2.60 1.43 -1.26 -1.61 118.68 120.38 3m46 s LEU 632 Ca 0.55 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.68 3m46 s LEU 632 Cb -0.10 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 3m46 s LEU 632 CO 0.22 0.03 -0.04 -0.63 0.23 0.00 0.00 176.35 176.16 3m46 s ILE 633 N 1.25 3.89 -2.43 -0.59 -1.09 0.16 -4.93 121.20 117.46 3m46 s ILE 633 Ca 0.07 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 3m46 s ILE 633 Cb -0.14 -2.63 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 3m46 s ILE 633 CO 0.06 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 3m46 n GLY 634 N 2.54 0.59 3.70 6.18 0.00 -1.26 -0.07 105.19 116.87 3m46 n GLY 634 Ca -0.18 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.90 3.30 0.60 1.61 2.02 -0.13 -4.97 117.35 115.89 3m46 s TYR 635 Ca 0.00 0.21 0.40 0.00 -0.37 0.00 0.00 57.07 57.30 3m46 s TYR 635 Cb 0.00 -1.96 2.15 0.00 -0.40 0.00 0.00 41.96 41.75 3m46 s TYR 635 CO 0.00 0.38 2.21 1.49 -1.57 0.00 0.00 175.55 178.06 3m46 h GLU 636 N 5.85 0.00 -0.04 -0.62 4.57 -1.89 -2.43 114.58 120.02 3m46 h GLU 636 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3m46 h GLU 636 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3m46 h GLU 636 CO 0.63 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.87 3m46 n GLY 637 N -1.13 0.45 4.00 1.92 0.00 -1.26 -4.63 105.19 104.54 3m46 n GLY 637 Ca -0.03 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.50 5.09 0.04 1.61 1.04 -0.92 -4.79 113.70 114.28 3m46 s SER 638 Ca 0.22 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.27 3m46 s SER 638 Cb 0.15 -0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 3m46 s SER 638 CO 0.23 -1.28 -0.07 -0.94 0.98 0.00 0.00 173.24 172.16 3m46 s SER 639 N -4.54 0.75 -0.06 7.02 1.04 -1.26 -1.84 113.70 114.81 3m46 s SER 639 Ca 0.60 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.45 3m46 s SER 639 Cb -0.08 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.12 3m46 s SER 639 CO 0.39 -0.26 -0.08 -0.47 0.98 0.00 0.00 173.24 173.80 3m46 s TYR 640 N -1.66 1.08 -0.50 5.02 5.04 0.48 -4.73 117.35 122.09 3m46 s TYR 640 Ca -0.09 -0.37 -0.25 0.00 -2.44 0.00 0.00 57.07 53.92 3m46 s TYR 640 Cb -0.08 -0.86 0.03 0.00 0.35 0.00 0.00 41.96 41.40 3m46 s TYR 640 CO -0.01 -0.24 0.92 0.99 -1.34 0.00 0.00 175.55 175.87 3m46 s THR 641 N 0.85 4.45 -0.29 4.34 2.01 -1.26 -0.63 115.64 125.11 3m46 s THR 641 Ca -0.12 0.52 -0.21 0.00 0.31 0.00 0.00 61.69 62.19 3m46 s THR 641 Cb -0.15 -4.47 -0.01 0.00 0.01 0.00 0.00 72.50 67.88 3m46 s THR 641 CO 0.01 -0.95 0.68 -0.22 -0.69 0.00 0.00 174.62 173.46 3m46 s LEU 642 N 3.81 4.11 -0.13 4.42 2.96 -1.01 -4.91 118.68 127.93 3m46 s LEU 642 Ca 0.34 0.57 -0.19 0.00 -0.22 0.00 0.00 54.13 54.62 3m46 s LEU 642 Cb -0.11 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 3m46 s LEU 642 CO 0.23 -0.50 0.54 -0.47 -1.32 0.00 0.00 176.35 174.83 3m46 s TYR 643 N 2.70 3.48 -0.18 5.38 5.04 -1.25 -1.85 117.35 130.67 3m46 s TYR 643 Ca 0.28 0.94 -0.11 0.00 -2.44 0.00 0.00 57.07 55.73 3m46 s TYR 643 Cb -0.15 -2.65 0.06 0.00 0.35 0.00 0.00 41.96 39.57 3m46 s TYR 643 CO 0.11 0.06 0.45 -1.83 -1.34 0.00 0.00 175.55 173.00 3m46 s GLU 644 N 1.01 0.45 0.00 4.97 -1.05 0.14 -4.17 118.70 120.05 3m46 s GLU 644 Ca 0.28 0.82 0.00 0.00 -0.15 0.00 0.00 54.97 55.92 3m46 s GLU 644 Cb -0.16 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.57 3m46 s GLU 644 CO 0.12 -0.14 0.00 -0.40 0.95 0.00 0.00 175.26 175.78 3m46 n ASP 645 N 4.07 1.15 0.13 0.83 5.68 -1.26 -4.37 116.55 122.79 3m46 n ASP 645 Ca -0.22 -0.77 0.12 0.00 -0.50 0.00 0.00 54.79 53.43 3m46 n ASP 645 Cb 0.56 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 41.02 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 -1.42 0.72 -0.13 -1.12 5.75 -1.26 -4.87 116.55 114.23 3m46 n ASP 646 Ca 0.00 0.65 -0.02 0.00 -0.01 0.00 0.00 54.79 55.41 3m46 n ASP 646 Cb 0.00 -0.81 -0.01 0.00 -1.03 0.00 0.00 41.12 39.27 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 0.29 0.53 1.10 6.12 0.00 -1.26 -4.83 105.19 107.14 3m46 n GLY 647 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.90 0.00 -2.44 -0.61 5.41 -1.26 -1.08 119.36 116.48 3m46 n ILE 648 Ca -0.02 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.67 3m46 n ILE 648 Cb 0.08 -0.76 0.03 0.00 -0.71 0.00 0.00 39.64 38.28 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 -2.52 -3.19 -1.94 1.39 8.25 -1.26 -1.41 115.22 114.54 3m46 n HIS 649 Ca 0.00 -0.52 -0.26 0.00 -0.26 0.00 0.00 57.72 56.67 3m46 n HIS 649 Cb 0.24 -0.20 0.03 0.00 1.12 0.00 0.00 29.99 31.17 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 -1.51 3.43 -3.38 -0.41 5.02 -1.19 -4.68 118.16 115.43 3m46 n LYS 650 Ca 0.05 -4.03 -0.45 0.00 -2.02 0.00 0.00 58.31 51.86 3m46 n LYS 650 Cb 0.17 -2.28 -0.02 0.00 -0.02 0.00 0.00 35.03 32.88 3m46 n LYS 650 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3m46 s ASP 651 N -3.24 6.85 0.05 4.39 3.84 -1.26 -4.86 116.67 122.45 3m46 s ASP 651 Ca 0.53 -3.18 0.20 0.00 -0.00 0.00 0.00 52.55 50.11 3m46 s ASP 651 Cb 0.43 -2.16 -0.17 0.00 -1.38 0.00 0.00 42.92 39.64 3m46 s ASP 651 CO 0.00 -0.40 0.71 -1.22 -0.00 0.00 0.00 175.17 174.26 3m46 n TYR 652 N 3.25 0.57 -0.17 2.11 4.01 -1.26 -4.53 117.16 121.14 3m46 n TYR 652 Ca 0.18 0.18 -0.04 0.00 -0.16 0.00 0.00 57.90 58.06 3m46 n TYR 652 Cb 0.42 -0.85 0.15 0.00 -0.31 0.00 0.00 39.34 38.75 3m46 n TYR 652 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3m46 h ASP 653 N 0.00 0.86 -1.38 7.72 3.32 -2.03 -3.47 116.42 121.44 3m46 h ASP 653 Ca -0.10 -0.16 -0.71 0.00 0.02 0.00 0.00 57.03 56.08 3m46 h ASP 653 Cb 1.27 -0.23 0.07 0.00 0.22 0.00 0.00 39.33 40.66 3m46 h ASP 653 CO 0.01 0.83 0.10 0.29 -1.72 0.00 0.00 179.24 178.76 3m46 n LYS 654 N -4.27 0.52 -0.16 3.56 4.76 -1.26 -4.85 118.16 116.47 3m46 n LYS 654 Ca 0.04 0.19 0.28 0.00 -2.87 0.00 0.00 58.31 55.95 3m46 n LYS 654 Cb 0.23 -1.64 0.72 0.00 -1.84 0.00 0.00 35.03 32.50 3m46 n LYS 654 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 3m46 h LYS 655 N 3.08 0.00 0.00 1.97 2.10 -1.96 -2.62 116.57 119.14 3m46 h LYS 655 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3m46 h LYS 655 Cb 1.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 3m46 h LYS 655 CO 0.67 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 179.05 3m46 h GLU 656 N 0.00 0.00 0.00 0.07 3.07 -1.97 -3.02 114.58 112.73 3m46 h GLU 656 Ca 0.41 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.25 3m46 h GLU 656 Cb 1.73 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.63 3m46 h GLU 656 CO -0.00 0.00 -0.12 -0.91 -1.40 0.00 0.00 179.01 176.58 3m46 h ASN 657 N 0.00 0.00 -3.15 1.42 2.35 -1.66 -3.45 115.58 111.09 3m46 h ASN 657 Ca 0.00 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.10 3m46 h ASN 657 Cb 0.15 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.43 3m46 h ASN 657 CO 0.00 0.12 -0.59 -0.31 -1.65 0.00 0.00 177.43 175.00 3m46 s TYR 658 N -3.35 3.24 -0.23 1.19 2.02 -1.14 0.28 117.35 119.36 3m46 s TYR 658 Ca 0.04 0.15 -0.10 0.00 -0.37 0.00 0.00 57.07 56.79 3m46 s TYR 658 Cb 0.07 -1.69 0.09 0.00 -0.40 0.00 0.00 41.96 40.03 3m46 s TYR 658 CO 0.65 0.53 0.51 -0.98 -1.57 0.00 0.00 175.55 174.69 3m46 s ARG 659 N -1.97 0.46 -0.05 -0.62 1.70 -0.77 -4.98 118.95 112.71 3m46 s ARG 659 Ca 0.25 1.09 -0.30 0.00 -0.47 0.00 0.00 55.73 56.31 3m46 s ARG 659 Cb -0.12 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.52 3m46 s ARG 659 CO 0.17 -0.20 1.53 0.08 -1.08 0.00 0.00 175.30 175.80 3m46 s VAL 660 N 2.18 3.69 -0.13 4.99 1.01 -1.26 -2.40 120.40 128.47 3m46 s VAL 660 Ca -0.06 0.92 -0.07 0.00 0.00 0.00 0.00 61.98 62.76 3m46 s VAL 660 Cb -0.10 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3m46 s VAL 660 CO -0.15 -0.06 0.13 -0.76 0.00 0.00 0.00 175.10 174.26 3m46 s LEU 661 N 3.49 4.33 -0.02 3.92 1.43 0.20 -4.95 118.68 127.08 3m46 s LEU 661 Ca 0.68 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 54.23 3m46 s LEU 661 Cb -0.31 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3m46 s LEU 661 CO 0.26 0.36 -0.13 -0.89 0.23 0.00 0.00 176.35 176.18 3m46 s THR 662 N -0.75 1.08 -2.86 5.49 2.01 -1.26 -0.39 115.64 118.96 3m46 s THR 662 Ca 0.14 -0.57 0.25 0.00 0.31 0.00 0.00 61.69 61.82 3m46 s THR 662 Cb -0.12 -0.91 0.29 0.00 0.01 0.00 0.00 72.50 71.77 3m46 s THR 662 CO 0.03 0.31 1.40 1.17 -0.69 0.00 0.00 174.62 176.84