#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0m s HIS 3 N 0.00 0.15 0.20 1.08 5.65 -1.26 -5.06 115.29 116.05 1h0m s HIS 3 Ca 0.00 -0.51 0.14 0.00 0.25 0.00 0.00 55.06 54.94 1h0m s HIS 3 Cb 0.00 0.09 0.46 0.00 -1.18 0.00 0.00 32.58 31.96 1h0m s HIS 3 CO 0.00 -0.73 1.65 0.11 -0.65 0.00 0.00 174.74 175.11 1h0m h TRP 4 N 2.47 0.00 -0.62 3.88 5.08 -1.99 -2.68 115.95 122.09 1h0m h TRP 4 Ca -0.32 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.59 1h0m h TRP 4 Cb 1.24 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.37 1h0m h TRP 4 CO 0.38 0.52 0.12 -0.07 -1.28 0.00 0.00 178.44 178.11 1h0m h LEU 5 N 0.00 0.94 0.10 0.11 3.38 -1.98 0.19 115.31 118.06 1h0m h LEU 5 Ca -0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1h0m h LEU 5 Cb 1.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1h0m h LEU 5 CO 0.07 0.93 -0.07 0.44 0.09 0.00 0.00 178.44 179.90 1h0m h ASP 6 N 0.94 -0.18 -0.25 -0.43 3.45 -1.93 0.37 116.42 118.39 1h0m h ASP 6 Ca 0.19 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.63 1h0m h ASP 6 Cb 0.39 0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.20 1h0m h ASP 6 CO 0.01 -0.12 0.05 0.11 -1.57 0.00 0.00 179.24 177.72 1h0m h LYS 7 N -0.18 0.51 -0.45 3.56 1.57 -1.13 -1.80 116.57 118.65 1h0m h LYS 7 Ca -0.01 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 1h0m h LYS 7 Cb 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1h0m h LYS 7 CO -0.00 0.49 -0.26 1.25 -0.57 0.00 0.00 179.45 180.37 1h0m h LEU 8 N 0.49 0.99 -0.57 2.94 5.85 0.14 0.17 115.31 125.32 1h0m h LEU 8 Ca 0.11 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1h0m h LEU 8 Cb 0.24 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1h0m h LEU 8 CO 0.00 1.18 0.34 0.74 -0.34 0.00 0.00 178.44 180.36 1h0m h THR 9 N 0.82 1.05 0.22 1.05 2.02 0.47 -0.59 112.91 117.94 1h0m h THR 9 Ca 0.10 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1h0m h THR 9 Cb 0.84 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1h0m h THR 9 CO 0.07 0.12 -0.11 0.44 0.37 0.00 0.00 175.52 176.42 1h0m h ASP 10 N 0.67 -0.25 -1.11 4.18 3.32 -0.98 -2.46 116.42 119.78 1h0m h ASP 10 Ca 0.23 -0.10 0.31 0.00 0.02 0.00 0.00 57.03 57.49 1h0m h ASP 10 Cb 0.03 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.58 1h0m h ASP 10 CO -0.10 -0.05 0.76 0.25 -1.72 0.00 0.00 179.24 178.38 1h0m h LEU 11 N -0.45 0.21 -2.20 1.55 5.85 -0.18 0.19 115.31 120.29 1h0m h LEU 11 Ca -0.03 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1h0m h LEU 11 Cb 0.34 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1h0m h LEU 11 CO 0.05 0.03 0.14 0.00 -0.34 0.00 0.00 178.44 178.32 1h0m h ALA 12 N 1.52 1.88 0.00 1.25 0.00 -0.61 -1.52 119.26 121.78 1h0m h ALA 12 Ca 0.58 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.42 1h0m h ALA 12 Cb 1.91 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1h0m h ALA 12 CO -0.16 -0.21 -1.05 0.00 0.00 0.00 0.00 179.25 177.83 1h0m h ALA 13 N 1.87 0.59 -1.83 0.00 0.00 -0.71 -3.44 119.26 115.75 1h0m h ALA 13 Ca 0.07 -0.32 -0.56 0.00 0.00 0.00 0.00 54.91 54.10 1h0m h ALA 13 Cb 0.34 0.09 0.17 0.00 0.00 0.00 0.00 17.79 18.39 1h0m h ALA 13 CO -0.00 0.35 -1.05 1.51 0.00 0.00 0.00 179.25 180.06 1h0m n ILE 14 N -2.81 0.09 -4.79 0.00 3.06 -0.57 -5.01 119.36 109.33 1h0m n ILE 14 Ca -0.03 -0.47 -0.25 0.00 -2.50 0.00 0.00 62.75 59.51 1h0m n ILE 14 Cb 0.66 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.68 1h0m n ILE 14 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1h0m s GLU 15 N -0.94 1.46 0.00 9.51 2.12 -1.26 -4.98 118.70 124.61 1h0m s GLU 15 Ca 0.54 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.28 1h0m s GLU 15 Cb -0.49 -1.37 0.00 0.00 0.26 0.00 0.00 34.13 32.54 1h0m s GLU 15 CO 0.61 0.32 0.00 0.41 -0.54 0.00 0.00 175.26 176.06 1h0m n GLY 16 N 2.83 0.12 3.77 -1.50 0.00 -1.26 -4.98 105.19 104.17 1h0m n GLY 16 Ca -0.16 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1h0m n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h0m n ASP 17 N -0.93 3.81 -0.28 1.61 2.03 -1.26 -4.84 116.55 116.69 1h0m n ASP 17 Ca 0.00 1.22 -0.05 0.00 0.52 0.00 0.00 54.79 56.48 1h0m n ASP 17 Cb 0.00 -1.62 -0.00 0.00 -0.72 0.00 0.00 41.12 38.78 1h0m n ASP 17 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1h0m h GLU 18 N 3.17 -0.11 -0.75 -0.67 4.81 -1.98 0.75 114.58 119.80 1h0m h GLU 18 Ca -0.50 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1h0m h GLU 18 Cb 1.24 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.59 1h0m h GLU 18 CO 0.66 -0.08 0.43 0.00 -0.73 0.00 0.00 179.01 179.29 1h0m h ILE 20 N 0.78 0.77 0.73 0.00 2.04 -1.24 -1.09 117.51 119.51 1h0m h ILE 20 Ca 0.34 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 1h0m h ILE 20 Cb 0.21 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1h0m h ILE 20 CO -0.19 0.11 -0.35 0.25 0.00 0.00 0.00 178.15 177.97 1h0m h LEU 21 N 0.62 -0.83 -0.94 1.44 5.85 -0.34 -2.06 115.31 119.05 1h0m h LEU 21 Ca 0.42 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.39 1h0m h LEU 21 Cb 0.54 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.66 1h0m h LEU 21 CO -0.33 -0.49 0.48 0.11 -0.34 0.00 0.00 178.44 177.87 1h0m h LYS 22 N -1.20 0.49 0.04 1.25 1.57 -1.10 0.25 116.57 117.87 1h0m h LYS 22 Ca -0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1h0m h LYS 22 Cb 0.75 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1h0m h LYS 22 CO 0.17 0.32 -0.02 1.15 -0.57 0.00 0.00 179.45 180.50 1h0m h THR 23 N 0.50 1.04 -0.98 -0.16 2.02 -1.20 -1.12 112.91 113.02 1h0m h THR 23 Ca 0.58 -0.25 0.18 0.00 0.77 0.00 0.00 66.41 67.69 1h0m h THR 23 Cb 1.08 1.21 -0.09 0.00 -1.74 0.00 0.00 68.15 68.61 1h0m h THR 23 CO -0.49 0.06 0.61 1.23 0.37 0.00 0.00 175.52 177.31 1h0m h GLY 24 N -0.17 1.52 0.89 2.16 0.00 0.13 0.34 103.07 107.93 1h0m h GLY 24 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1h0m h GLY 24 CO 0.01 -0.00 0.06 1.41 0.00 0.00 0.00 176.54 178.01 1h0m h LEU 25 N 0.72 0.17 -0.04 3.11 3.38 -0.19 -2.53 115.31 119.92 1h0m h LEU 25 Ca 0.53 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 1h0m h LEU 25 Cb 0.89 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1h0m h LEU 25 CO -0.30 0.26 0.01 0.00 0.09 0.00 0.00 178.44 178.50 1h0m h ALA 26 N 0.91 0.05 -1.02 1.53 0.00 0.13 -2.88 119.26 117.99 1h0m h ALA 26 Ca 0.04 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 55.10 1h0m h ALA 26 Cb 0.14 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 1h0m h ALA 26 CO -0.00 -0.35 0.65 -0.44 0.00 0.00 0.00 179.25 179.11 1h0m h ASP 27 N -0.13 0.49 -0.29 0.00 3.32 -0.34 0.58 116.42 120.06 1h0m h ASP 27 Ca 0.01 0.08 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 1h0m h ASP 27 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1h0m h ASP 27 CO -0.00 0.12 -0.44 0.40 -1.72 0.00 0.00 179.24 177.59 1h0m h ILE 28 N 0.45 1.29 0.08 0.35 2.04 -1.25 0.11 117.51 120.57 1h0m h ILE 28 Ca 0.58 -1.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 1h0m h ILE 28 Cb 1.38 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1h0m h ILE 28 CO -0.30 0.53 -0.04 0.00 0.00 0.00 0.00 178.15 178.34 1h0m h ALA 29 N 0.68 -0.11 0.47 1.87 0.00 -0.78 -2.81 119.26 118.59 1h0m h ALA 29 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1h0m h ALA 29 Cb 1.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1h0m h ALA 29 CO 0.10 -0.52 -0.36 -0.44 0.00 0.00 0.00 179.25 178.03 1h0m h ASP 30 N -0.19 -0.95 -1.37 0.00 3.32 -1.01 -0.84 116.42 115.37 1h0m h ASP 30 Ca -0.01 0.07 0.41 0.00 0.02 0.00 0.00 57.03 57.51 1h0m h ASP 30 Cb 0.16 0.30 -0.08 0.00 0.22 0.00 0.00 39.33 39.93 1h0m h ASP 30 CO 0.02 -0.54 0.95 -0.74 -1.72 0.00 0.00 179.24 177.21 1h0m h HIS 31 N -0.83 0.25 -0.01 4.55 2.76 -0.93 0.56 115.15 121.50 1h0m h HIS 31 Ca -0.05 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1h0m h HIS 31 Cb 0.70 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.60 1h0m h HIS 31 CO -0.16 -0.04 -0.49 1.19 -1.30 0.00 0.00 177.93 177.13 1h0m n PHE 32 N -4.34 0.00 -1.23 5.26 3.01 -0.92 -5.00 117.46 114.25 1h0m n PHE 32 Ca 0.33 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.79 1h0m n PHE 32 Cb 1.41 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.86 1h0m n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h0m n GLY 33 N 1.42 0.73 3.18 1.37 0.00 0.20 -5.09 105.19 107.00 1h0m n GLY 33 Ca 0.09 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1h0m n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h0m s PHE 34 N -2.61 2.03 0.59 1.61 0.40 -0.44 -4.85 117.98 114.71 1h0m s PHE 34 Ca 0.00 -0.64 0.29 0.00 -0.60 0.00 0.00 56.93 55.98 1h0m s PHE 34 Cb 0.00 -1.36 1.47 0.00 0.51 0.00 0.00 43.02 43.64 1h0m s PHE 34 CO 0.00 -0.22 1.90 1.15 0.70 0.00 0.00 175.22 178.74 1h0m h THR 35 N 5.31 0.38 0.00 0.64 2.02 -0.85 -3.39 112.91 117.02 1h0m h THR 35 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1h0m h THR 35 Cb 1.18 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1h0m h THR 35 CO 0.47 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.97 1h0m n GLY 36 N -1.52 -1.89 3.15 2.16 0.00 -1.15 -4.80 105.19 101.15 1h0m n GLY 36 Ca 0.09 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 1h0m n GLY 36 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h0m s TYR 37 N -2.17 1.02 -0.05 1.61 -0.85 -1.26 -0.44 117.35 115.20 1h0m s TYR 37 Ca 0.00 -0.59 -0.02 0.00 -0.52 0.00 0.00 57.07 55.94 1h0m s TYR 37 Cb 0.00 -0.57 0.03 0.00 0.38 0.00 0.00 41.96 41.80 1h0m s TYR 37 CO 0.00 -0.01 0.11 0.00 -1.52 0.00 0.00 175.55 174.14 1h0m s ALA 38 N -2.02 -0.19 -0.18 9.51 0.00 0.28 -2.61 121.76 126.55 1h0m s ALA 38 Ca 0.01 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1h0m s ALA 38 Cb -0.06 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1h0m s ALA 38 CO 0.00 -0.13 -0.19 -0.47 0.00 0.00 0.00 175.76 174.98 1h0m s TYR 39 N 0.97 2.76 -0.04 0.00 5.04 -1.02 0.13 117.35 125.20 1h0m s TYR 39 Ca -0.08 -1.65 0.06 0.00 -2.44 0.00 0.00 57.07 52.96 1h0m s TYR 39 Cb -0.10 -1.89 -0.02 0.00 0.35 0.00 0.00 41.96 40.29 1h0m s TYR 39 CO -0.04 -0.80 -0.21 -0.51 -1.34 0.00 0.00 175.55 172.64 1h0m s LEU 40 N 1.30 2.34 -0.41 6.97 1.43 -1.26 -1.90 118.68 127.15 1h0m s LEU 40 Ca 0.04 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1h0m s LEU 40 Cb -0.13 -1.43 0.12 0.00 0.03 0.00 0.00 46.19 44.77 1h0m s LEU 40 CO -0.12 0.33 0.15 -2.28 0.23 0.00 0.00 176.35 174.65 1h0m s HIS 41 N -0.63 2.96 -0.21 0.29 5.65 -0.52 -4.19 115.29 118.64 1h0m s HIS 41 Ca 0.10 -2.76 -0.28 0.00 0.25 0.00 0.00 55.06 52.36 1h0m s HIS 41 Cb -0.10 -2.53 0.00 0.00 -1.18 0.00 0.00 32.58 28.77 1h0m s HIS 41 CO -0.00 -0.85 1.00 0.42 -0.65 0.00 0.00 174.74 174.67 1h0m s ILE 42 N 0.56 4.72 0.00 0.89 -1.09 -1.26 -2.88 121.20 122.14 1h0m s ILE 42 Ca 0.14 1.97 0.00 0.00 -2.23 0.00 0.00 60.65 60.53 1h0m s ILE 42 Cb -0.22 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.38 1h0m s ILE 42 CO -0.07 -0.13 0.00 1.67 -1.23 0.00 0.00 174.94 175.18 1h0m n GLN 43 N 6.02 0.00 0.00 2.79 -0.06 0.15 -4.75 117.38 121.52 1h0m n GLN 43 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 1h0m n GLN 43 Cb 0.47 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.65 1h0m n GLN 43 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1h0m n HIS 44 N 0.00 0.00 -1.06 3.69 -0.00 -1.26 -4.72 115.22 111.87 1h0m n HIS 44 Ca 0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 1h0m n HIS 44 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1h0m n HIS 44 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1h0m n ARG 45 N 0.00 1.94 -3.67 1.57 5.12 -1.26 -4.74 116.66 115.63 1h0m n ARG 45 Ca 0.00 -1.62 -0.08 0.00 -1.93 0.00 0.00 57.85 54.22 1h0m n ARG 45 Cb 0.00 -1.76 -0.09 0.00 -1.16 0.00 0.00 32.46 29.45 1h0m n ARG 45 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1h0m s HIS 46 N -1.37 -0.88 0.04 -1.55 2.46 -1.26 -5.04 115.29 107.68 1h0m s HIS 46 Ca 0.40 1.71 0.05 0.00 0.47 0.00 0.00 55.06 57.69 1h0m s HIS 46 Cb 0.27 0.44 -0.02 0.00 -0.13 0.00 0.00 32.58 33.14 1h0m s HIS 46 CO -0.07 -0.48 -0.15 0.42 -2.47 0.00 0.00 174.74 172.00 1h0m s ILE 47 N 2.06 1.15 -0.03 0.89 1.01 -1.26 -0.68 121.20 124.35 1h0m s ILE 47 Ca -0.07 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.59 1h0m s ILE 47 Cb -0.09 -1.04 -0.00 0.00 0.01 0.00 0.00 42.46 41.33 1h0m s ILE 47 CO -0.15 0.01 -0.12 -0.89 0.00 0.00 0.00 174.94 173.78 1h0m s THR 48 N -0.87 1.03 0.15 2.92 2.01 -1.14 -2.43 115.64 117.31 1h0m s THR 48 Ca 0.02 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 61.57 1h0m s THR 48 Cb -0.08 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1h0m s THR 48 CO 0.01 0.30 -0.13 0.00 -0.69 0.00 0.00 174.62 174.12 1h0m s ALA 49 N 0.05 1.58 -0.29 7.40 0.00 -0.50 -1.45 121.76 128.55 1h0m s ALA 49 Ca -0.02 -1.43 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 1h0m s ALA 49 Cb -0.09 -0.04 0.11 0.00 0.00 0.00 0.00 23.12 23.10 1h0m s ALA 49 CO 0.01 0.03 0.15 0.08 0.00 0.00 0.00 175.76 176.02 1h0m s VAL 50 N -2.70 -0.08 0.17 0.00 1.01 -0.80 -0.48 120.40 117.53 1h0m s VAL 50 Ca 0.14 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1h0m s VAL 50 Cb -0.02 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1h0m s VAL 50 CO 0.03 -0.73 -0.09 -0.89 0.00 0.00 0.00 175.10 173.42 1h0m s THR 51 N 2.05 1.24 -0.13 3.92 2.01 -1.26 -2.43 115.64 121.04 1h0m s THR 51 Ca 0.10 -2.08 0.20 0.00 0.31 0.00 0.00 61.69 60.21 1h0m s THR 51 Cb -0.16 -1.99 -0.29 0.00 0.01 0.00 0.00 72.50 70.07 1h0m s THR 51 CO -0.34 -0.63 0.24 -3.20 -0.69 0.00 0.00 174.62 169.99 1h0m n ASN 52 N -0.28 0.00 -4.28 3.53 4.05 -1.07 -4.99 115.26 112.22 1h0m n ASN 52 Ca -0.09 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.56 1h0m n ASN 52 Cb 0.61 1.41 0.02 0.00 1.23 0.00 0.00 39.78 43.05 1h0m n ASN 52 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1h0m n TYR 53 N -2.55 -2.53 -1.61 1.20 4.02 -1.25 -4.77 117.16 109.66 1h0m n TYR 53 Ca -0.21 0.43 -0.49 0.00 -0.01 0.00 0.00 57.90 57.62 1h0m n TYR 53 Cb 0.92 -1.73 -0.05 0.00 -0.02 0.00 0.00 39.34 38.46 1h0m n TYR 53 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1h0m n HIS 54 N -1.60 1.71 -0.39 -0.72 -0.00 -1.26 -4.78 115.22 108.18 1h0m n HIS 54 Ca 0.08 0.54 0.31 0.00 0.46 0.00 0.00 57.72 59.12 1h0m n HIS 54 Cb 0.48 -2.38 0.59 0.00 -0.12 0.00 0.00 29.99 28.55 1h0m n HIS 54 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1h0m h ARG 55 N 4.53 0.18 0.25 1.57 0.11 -1.98 -1.02 114.38 118.02 1h0m h ARG 55 Ca -0.46 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 1h0m h ARG 55 Cb 1.31 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1h0m h ARG 55 CO 0.78 0.12 -0.12 0.37 0.10 0.00 0.00 179.97 181.22 1h0m h GLN 56 N 0.18 -0.32 -0.74 0.08 5.75 -2.00 -2.69 115.11 115.37 1h0m h GLN 56 Ca 0.76 0.02 0.15 0.00 -0.15 0.00 0.00 58.65 59.43 1h0m h GLN 56 Cb 2.19 0.07 -0.14 0.00 1.07 0.00 0.00 27.48 30.67 1h0m h GLN 56 CO -0.45 0.01 -0.21 2.35 -2.65 0.00 0.00 178.83 177.88 1h0m h TRP 57 N -0.95 -0.46 0.00 3.99 -0.00 -1.59 0.35 115.95 117.28 1h0m h TRP 57 Ca -0.03 0.07 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1h0m h TRP 57 Cb 0.48 0.32 0.00 0.00 -0.00 0.00 0.00 29.16 29.96 1h0m h TRP 57 CO 0.05 -0.33 0.00 1.04 -0.00 0.00 0.00 178.44 179.20 1h0m n GLN 58 N -5.49 0.00 -0.32 2.65 6.02 -0.58 0.07 117.38 119.73 1h0m n GLN 58 Ca 0.10 0.41 0.02 0.00 -0.01 0.00 0.00 57.00 57.52 1h0m n GLN 58 Cb 0.38 -1.09 0.08 0.00 1.02 0.00 0.00 30.24 30.63 1h0m n GLN 58 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1h0m n SER 59 N -1.14 -0.43 0.17 1.08 3.41 -0.77 -1.45 113.62 114.49 1h0m n SER 59 Ca 0.00 1.49 -0.14 0.00 -0.26 0.00 0.00 58.87 59.96 1h0m n SER 59 Cb 0.00 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.47 1h0m n SER 59 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1h0m h THR 60 N 0.00 0.71 -0.95 6.66 1.35 -0.65 -2.67 112.91 117.37 1h0m h THR 60 Ca 0.36 -0.43 0.36 0.00 -0.55 0.00 0.00 66.41 66.15 1h0m h THR 60 Cb 0.57 0.94 -0.13 0.00 -1.73 0.00 0.00 68.15 67.80 1h0m h THR 60 CO -0.87 0.09 0.56 0.00 -0.25 0.00 0.00 175.52 175.04 1h0m n TYR 61 N -5.17 0.81 -0.05 4.73 4.19 0.11 0.14 117.16 121.92 1h0m n TYR 61 Ca -0.10 0.82 -0.21 0.00 3.31 0.00 0.00 57.90 61.72 1h0m n TYR 61 Cb 0.25 -1.23 -0.13 0.00 0.49 0.00 0.00 39.34 38.72 1h0m n TYR 61 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1h0m h PHE 62 N 0.00 0.21 -0.47 2.98 0.04 -1.53 0.28 116.94 118.45 1h0m h PHE 62 Ca 0.71 -0.16 0.07 0.00 2.80 0.00 0.00 57.97 61.39 1h0m h PHE 62 Cb 2.04 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 40.13 1h0m h PHE 62 CO -0.01 1.48 0.13 -0.44 -0.60 0.00 0.00 178.31 178.87 1h0m h ASP 63 N -0.64 0.10 0.40 2.17 3.32 0.01 0.46 116.42 122.23 1h0m h ASP 63 Ca -0.29 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1h0m h ASP 63 Cb 1.50 0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1h0m h ASP 63 CO -0.05 0.09 0.00 0.29 -1.72 0.00 0.00 179.24 177.84 1h0m n LYS 64 N -5.05 0.42 -3.70 3.56 4.76 0.38 -4.93 118.16 113.60 1h0m n LYS 64 Ca 0.04 0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.31 1h0m n LYS 64 Cb 0.20 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.92 1h0m n LYS 64 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1h0m n LYS 65 N -1.24 -4.88 0.00 1.97 5.02 0.16 -4.87 118.16 114.32 1h0m n LYS 65 Ca 0.13 0.62 0.12 0.00 -2.02 0.00 0.00 58.31 57.16 1h0m n LYS 65 Cb 0.18 -5.17 0.66 0.00 -0.02 0.00 0.00 35.03 30.68 1h0m n LYS 65 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1h0m n PHE 66 N -4.26 0.00 -0.22 2.13 0.99 0.93 -2.92 117.46 114.11 1h0m n PHE 66 Ca -0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.15 1h0m n PHE 66 Cb 0.68 -0.10 0.11 0.00 -1.00 0.00 0.00 39.48 39.17 1h0m n PHE 66 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1h0m h GLU 67 N 0.00 0.56 -0.00 -1.08 5.08 -1.90 0.56 114.58 117.80 1h0m h GLU 67 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1h0m h GLU 67 Cb 0.07 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1h0m h GLU 67 CO 0.00 0.37 -0.11 0.00 -1.00 0.00 0.00 179.01 178.27 1h0m n ALA 68 N -2.39 2.65 -0.08 3.43 0.00 -1.15 -4.32 120.51 118.65 1h0m n ALA 68 Ca 0.09 -0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 1h0m n ALA 68 Cb 0.23 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 1h0m n ALA 68 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h0m n LEU 69 N -1.34 1.31 -3.54 0.00 4.77 -0.07 -5.00 117.00 113.15 1h0m n LEU 69 Ca 0.10 0.22 -0.50 0.00 -0.03 0.00 0.00 56.01 55.80 1h0m n LEU 69 Cb 0.31 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 1h0m n LEU 69 CO 0.27 0.25 1.15 -0.67 -1.33 0.00 0.00 177.39 177.06 1h0m n ASP 70 N -3.85 0.76 0.10 -1.43 -0.08 0.18 -4.77 116.55 107.46 1h0m n ASP 70 Ca -0.31 0.73 0.10 0.00 -1.51 0.00 0.00 54.79 53.79 1h0m n ASP 70 Cb 0.69 -0.70 0.43 0.00 2.34 0.00 0.00 41.12 43.88 1h0m n ASP 70 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1h0m n PRO 71 N 4.61 0.13 0.03 -0.67 -0.02 -1.26 -2.12 135.00 135.70 1h0m n PRO 71 Ca 0.34 0.43 -0.20 0.00 -2.02 0.00 0.00 63.50 62.06 1h0m n PRO 71 Cb -0.04 -1.78 -0.14 0.00 -0.02 0.00 0.00 33.50 31.51 1h0m n PRO 71 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1h0m h VAL 72 N 0.00 1.46 0.15 -1.45 2.07 -1.97 -2.67 116.25 113.83 1h0m h VAL 72 Ca 0.00 -2.50 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 1h0m h VAL 72 Cb 0.25 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1h0m h VAL 72 CO 0.00 0.70 -0.07 0.58 0.02 0.00 0.00 177.57 178.80 1h0m h VAL 73 N -0.41 0.93 -0.57 2.57 2.07 -1.83 -0.91 116.25 118.09 1h0m h VAL 73 Ca -0.16 -0.30 0.12 0.00 0.82 0.00 0.00 66.70 67.18 1h0m h VAL 73 Cb 1.61 1.11 -0.10 0.00 -1.52 0.00 0.00 31.29 32.40 1h0m h VAL 73 CO 0.12 0.07 -0.04 0.50 0.02 0.00 0.00 177.57 178.24 1h0m h LYS 74 N -0.33 0.08 -0.54 1.57 3.64 -1.55 0.05 116.57 119.49 1h0m h LYS 74 Ca -0.02 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1h0m h LYS 74 Cb 0.27 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1h0m h LYS 74 CO 0.03 0.05 0.32 -0.09 -2.27 0.00 0.00 179.45 177.49 1h0m h ARG 75 N 0.08 0.74 -0.27 1.90 2.43 -1.31 -2.42 114.38 115.53 1h0m h ARG 75 Ca 0.29 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1h0m h ARG 75 Cb 0.45 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1h0m h ARG 75 CO -0.52 0.54 0.14 0.00 -1.51 0.00 0.00 179.97 178.62 1h0m h ALA 76 N 1.15 1.74 -0.47 2.80 0.00 0.38 -0.52 119.26 124.34 1h0m h ALA 76 Ca 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1h0m h ALA 76 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1h0m h ALA 76 CO -0.04 0.22 0.05 0.00 0.00 0.00 0.00 179.25 179.48 1h0m h ARG 77 N 0.37 0.80 -0.60 0.00 3.08 -0.57 -2.71 114.38 114.76 1h0m h ARG 77 Ca 0.10 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1h0m h ARG 77 Cb 0.03 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1h0m h ARG 77 CO -0.01 0.83 0.00 0.43 -1.07 0.00 0.00 179.97 180.15 1h0m n SER 78 N -4.40 3.47 -3.69 7.04 7.64 -0.91 -4.84 113.62 117.92 1h0m n SER 78 Ca 0.01 -2.26 -0.11 0.00 1.01 0.00 0.00 58.87 57.52 1h0m n SER 78 Cb 0.27 -0.47 -0.10 0.00 -1.01 0.00 0.00 64.21 62.91 1h0m n SER 78 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1h0m s ARG 79 N -1.67 0.49 -0.46 1.43 3.52 -0.25 -5.04 118.95 116.96 1h0m s ARG 79 Ca 0.37 0.82 0.07 0.00 -0.13 0.00 0.00 55.73 56.87 1h0m s ARG 79 Cb 0.23 0.08 0.39 0.00 -1.56 0.00 0.00 34.95 34.10 1h0m s ARG 79 CO 0.19 -0.13 1.00 1.63 -0.81 0.00 0.00 175.30 177.18 1h0m n LYS 80 N 3.87 2.84 -3.89 5.12 4.01 -1.26 -4.38 118.16 124.47 1h0m n LYS 80 Ca -0.20 -4.36 -0.11 0.00 -0.51 0.00 0.00 58.31 53.13 1h0m n LYS 80 Cb 0.56 -2.07 -0.11 0.00 -0.51 0.00 0.00 35.03 32.91 1h0m n LYS 80 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1h0m s HIS 81 N -3.36 0.05 0.33 2.13 2.46 -1.26 -4.83 115.29 110.80 1h0m s HIS 81 Ca 0.45 -0.12 -0.29 0.00 0.47 0.00 0.00 55.06 55.57 1h0m s HIS 81 Cb 0.36 -0.06 -0.11 0.00 -0.13 0.00 0.00 32.58 32.64 1h0m s HIS 81 CO -0.13 -0.20 1.55 1.51 -2.47 0.00 0.00 174.74 175.00 1h0m n ILE 82 N 1.92 1.43 -3.74 0.89 3.06 -1.26 -4.50 119.36 117.16 1h0m n ILE 82 Ca -0.20 -0.36 -0.13 0.00 -2.50 0.00 0.00 62.75 59.56 1h0m n ILE 82 Cb 0.56 -1.97 -0.08 0.00 0.54 0.00 0.00 39.64 38.69 1h0m n ILE 82 CO 0.00 0.00 0.00 0.72 -2.50 0.00 0.00 176.55 174.77 1h0m s PHE 83 N -0.47 -0.21 -0.02 9.51 -0.12 -0.36 -5.01 117.98 121.29 1h0m s PHE 83 Ca 0.59 0.29 -0.01 0.00 -0.05 0.00 0.00 56.93 57.76 1h0m s PHE 83 Cb -0.49 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 1h0m s PHE 83 CO 0.55 -0.43 0.07 0.95 -0.05 0.00 0.00 175.22 176.31 1h0m s THR 84 N -1.52 4.68 -0.09 -4.49 -4.23 -1.26 -0.31 115.64 108.42 1h0m s THR 84 Ca -0.12 -0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 1h0m s THR 84 Cb -0.04 -3.11 0.01 0.00 1.34 0.00 0.00 72.50 70.70 1h0m s THR 84 CO 0.03 0.40 -0.16 -1.66 -0.54 0.00 0.00 174.62 172.69 1h0m s TRP 85 N -1.14 1.92 -0.12 3.99 1.48 0.11 -4.98 118.94 120.20 1h0m s TRP 85 Ca 0.21 -0.80 -0.10 0.00 -1.06 0.00 0.00 56.10 54.35 1h0m s TRP 85 Cb -0.12 -1.35 -0.26 0.00 -1.16 0.00 0.00 33.47 30.58 1h0m s TRP 85 CO 0.12 -0.38 0.41 1.03 -4.06 0.00 0.00 176.95 174.07 1h0m h SER 86 N 7.03 0.39 0.00 -2.66 0.87 -1.86 -0.67 113.55 116.65 1h0m h SER 86 Ca -0.28 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.39 1h0m h SER 86 Cb 1.20 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1h0m h SER 86 CO 0.48 1.78 0.00 0.61 -0.53 0.00 0.00 176.83 179.17 1h0m n GLY 87 N 1.88 2.02 0.08 5.77 0.00 -1.26 -3.92 105.19 109.77 1h0m n GLY 87 Ca -0.30 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1h0m n GLY 87 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1h0m h GLU 88 N 0.00 0.00 0.00 1.61 4.81 -1.86 -3.25 114.58 115.89 1h0m h GLU 88 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1h0m h GLU 88 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1h0m h GLU 88 CO 0.00 0.33 -0.00 0.45 -0.73 0.00 0.00 179.01 179.05 1h0m h HIS 89 N -1.00 0.00 -0.00 0.92 3.86 -1.88 -0.58 115.15 116.47 1h0m h HIS 89 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1h0m h HIS 89 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1h0m h HIS 89 CO -0.09 0.00 -0.25 0.39 0.86 0.00 0.00 177.93 178.84 1h0m n GLU 90 N -3.50 0.05 -0.05 2.45 1.02 -1.26 -3.89 120.64 115.45 1h0m n GLU 90 Ca -0.03 -0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.00 1h0m n GLU 90 Cb 0.08 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.07 1h0m n GLU 90 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1h0m h ARG 91 N 0.05 0.70 0.07 3.49 2.43 -1.12 -3.17 114.38 116.82 1h0m h ARG 91 Ca 0.00 -0.34 0.01 0.00 -0.81 0.00 0.00 59.98 58.84 1h0m h ARG 91 Cb 0.49 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1h0m h ARG 91 CO 0.00 0.95 -0.12 -1.35 -1.51 0.00 0.00 179.97 177.94 1h0m h PRO 92 N 0.58 -0.23 -7.00 0.20 0.11 -1.72 -3.43 132.00 120.50 1h0m h PRO 92 Ca 0.06 0.02 -0.38 0.00 0.11 0.00 0.00 66.00 65.80 1h0m h PRO 92 Cb 0.89 0.05 0.22 0.00 0.11 0.00 0.00 31.00 32.27 1h0m h PRO 92 CO 0.08 -0.16 -0.14 0.99 -0.21 0.00 0.00 178.00 178.56 1h0m s THR 93 N -6.15 1.17 0.30 -1.15 2.01 -1.20 -4.87 115.64 105.77 1h0m s THR 93 Ca -0.14 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.60 1h0m s THR 93 Cb 0.07 -2.04 -0.15 0.00 0.01 0.00 0.00 72.50 70.39 1h0m s THR 93 CO 0.66 0.00 0.47 0.00 -0.69 0.00 0.00 174.62 175.06 1h0m n LEU 94 N -5.71 -1.09 0.00 4.42 -0.00 -1.26 -4.98 117.00 108.37 1h0m n LEU 94 Ca 0.12 1.01 0.00 0.00 -0.00 0.00 0.00 56.01 57.15 1h0m n LEU 94 Cb 0.60 -1.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 1h0m n LEU 94 CO 0.43 -3.10 0.00 -1.54 -0.00 0.00 0.00 177.39 173.17 1h0m n SER 95 N 1.86 0.00 0.00 1.45 3.41 -1.26 -4.87 113.62 114.21 1h0m n SER 95 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1h0m n SER 95 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1h0m n SER 95 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1h0m n LYS 96 N 0.00 0.00 0.00 4.33 -0.00 -1.26 -4.29 118.16 116.94 1h0m n LYS 96 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.46 1h0m n LYS 96 Cb 0.00 0.00 0.80 0.00 -0.00 0.00 0.00 35.03 35.83 1h0m n LYS 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1h0m n ASP 97 N 0.00 0.00 -0.12 -5.58 8.00 -1.26 -2.96 116.55 114.63 1h0m n ASP 97 Ca 0.00 -0.39 -0.10 0.00 0.71 0.00 0.00 54.79 55.02 1h0m n ASP 97 Cb 0.00 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 1h0m n ASP 97 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1h0m h GLU 98 N 0.00 0.56 -0.41 -1.24 5.08 -1.93 0.30 114.58 116.93 1h0m h GLU 98 Ca 0.00 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1h0m h GLU 98 Cb 0.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1h0m h GLU 98 CO 0.00 0.61 0.13 -0.09 -1.00 0.00 0.00 179.01 178.65 1h0m h ARG 99 N 0.41 0.60 -0.32 2.33 2.43 -1.72 -2.10 114.38 116.02 1h0m h ARG 99 Ca 0.11 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1h0m h ARG 99 Cb 0.30 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1h0m h ARG 99 CO 0.00 0.53 -0.20 0.00 -1.51 0.00 0.00 179.97 178.79 1h0m h ALA 100 N 1.55 0.45 0.26 2.80 0.00 -1.54 -3.01 119.26 119.77 1h0m h ALA 100 Ca 0.14 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1h0m h ALA 100 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1h0m h ALA 100 CO -0.01 0.40 -0.33 0.35 0.00 0.00 0.00 179.25 179.66 1h0m h PHE 101 N 0.46 -0.93 -0.74 0.00 3.57 0.18 -0.60 116.94 118.86 1h0m h PHE 101 Ca 0.06 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.75 1h0m h PHE 101 Cb 0.75 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 1h0m h PHE 101 CO 0.06 -0.42 0.51 1.88 -2.23 0.00 0.00 178.31 178.11 1h0m h TYR 102 N -0.61 0.34 0.25 0.41 0.99 -1.49 0.14 116.97 117.00 1h0m h TYR 102 Ca -0.03 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1h0m h TYR 102 Cb 0.55 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.17 1h0m h TYR 102 CO -0.24 0.12 -0.12 -0.44 -0.00 0.00 0.00 178.16 177.47 1h0m h ASP 103 N 0.28 -0.29 -0.66 3.88 5.19 -1.36 -0.96 116.42 122.50 1h0m h ASP 103 Ca 0.37 -0.24 0.12 0.00 -0.62 0.00 0.00 57.03 56.66 1h0m h ASP 103 Cb 1.03 0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.57 1h0m h ASP 103 CO -0.09 0.17 0.44 -0.74 -3.12 0.00 0.00 179.24 175.90 1h0m h HIS 104 N -0.85 0.44 -0.09 4.55 2.76 -0.36 0.20 115.15 121.81 1h0m h HIS 104 Ca -0.03 0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 57.99 1h0m h HIS 104 Cb 0.51 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1h0m h HIS 104 CO 0.05 0.19 -0.63 0.00 -1.30 0.00 0.00 177.93 176.24 1h0m h ALA 105 N 1.68 0.75 0.00 5.26 0.00 -0.70 -2.58 119.26 123.67 1h0m h ALA 105 Ca 0.31 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1h0m h ALA 105 Cb 0.69 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1h0m h ALA 105 CO -0.09 0.73 -0.01 1.03 0.00 0.00 0.00 179.25 180.91 1h0m h SER 106 N 0.25 0.00 0.00 0.00 0.87 0.83 -1.00 113.55 114.50 1h0m h SER 106 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1h0m h SER 106 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1h0m h SER 106 CO 0.10 0.01 0.00 0.47 -0.53 0.00 0.00 176.83 176.89 1h0m n ASP 107 N -3.25 0.00 -0.97 6.23 8.00 -0.97 -2.56 116.55 123.03 1h0m n ASP 107 Ca -0.02 -0.55 0.03 0.00 0.71 0.00 0.00 54.79 54.96 1h0m n ASP 107 Cb 0.13 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1h0m n ASP 107 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1h0m n PHE 108 N -0.85 0.00 -0.50 1.24 3.01 -0.38 -5.00 117.46 114.97 1h0m n PHE 108 Ca 0.07 -0.38 0.00 0.00 1.01 0.00 0.00 57.45 58.15 1h0m n PHE 108 Cb 0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 1h0m n PHE 108 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h0m n GLY 109 N 0.11 1.83 3.49 1.37 0.00 -1.06 -4.87 105.19 106.06 1h0m n GLY 109 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1h0m n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h0m s ILE 110 N -3.35 4.50 0.00 -0.61 1.01 -1.21 -2.29 121.20 119.24 1h0m s ILE 110 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.11 1h0m s ILE 110 Cb 0.00 -4.91 0.00 0.00 0.01 0.00 0.00 42.46 37.56 1h0m s ILE 110 CO 0.00 -1.69 0.00 -1.14 0.00 0.00 0.00 174.94 172.11 1h0m n ARG 111 N 7.22 0.00 -2.99 2.79 0.63 0.25 -3.78 116.66 120.77 1h0m n ARG 111 Ca 0.31 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 57.07 1h0m n ARG 111 Cb 0.48 -0.45 -0.00 0.00 0.45 0.00 0.00 32.46 32.95 1h0m n ARG 111 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1h0m n SER 112 N -2.47 2.13 0.00 6.15 3.41 -0.93 -4.22 113.62 117.69 1h0m n SER 112 Ca 0.00 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1h0m n SER 112 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1h0m n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h0m n GLY 113 N 0.80 0.94 3.15 5.00 0.00 -0.26 -1.40 105.19 113.43 1h0m n GLY 113 Ca -0.02 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 1h0m n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h0m s ILE 114 N -2.00 2.09 -0.05 -0.61 1.01 -1.26 -0.71 121.20 119.66 1h0m s ILE 114 Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.75 1h0m s ILE 114 Cb 0.00 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 1h0m s ILE 114 CO 0.00 0.54 -0.23 -0.89 0.00 0.00 0.00 174.94 174.37 1h0m s THR 115 N 1.02 2.30 -0.24 2.92 2.01 0.57 -4.18 115.64 120.04 1h0m s THR 115 Ca -0.02 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1h0m s THR 115 Cb -0.14 -1.85 0.06 0.00 0.01 0.00 0.00 72.50 70.58 1h0m s THR 115 CO -0.06 0.57 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.73 1h0m s ILE 116 N -0.32 1.74 -0.01 1.82 1.01 0.23 -1.23 121.20 124.44 1h0m s ILE 116 Ca 0.01 -1.34 -0.10 0.00 0.00 0.00 0.00 60.65 59.22 1h0m s ILE 116 Cb -0.13 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1h0m s ILE 116 CO 0.02 -0.06 0.32 -2.16 0.00 0.00 0.00 174.94 173.06 1h0m s PRO 117 N 1.30 3.72 0.05 2.79 0.05 -1.26 0.17 135.00 141.82 1h0m s PRO 117 Ca -0.07 0.15 0.04 0.00 0.05 0.00 0.00 61.00 61.17 1h0m s PRO 117 Cb -0.19 -3.14 -0.03 0.00 0.05 0.00 0.00 34.50 31.19 1h0m s PRO 117 CO -0.06 0.68 -0.11 0.42 0.05 0.00 0.00 177.00 177.98 1h0m s ILE 118 N -1.18 0.81 -0.13 0.56 1.09 0.25 -4.31 121.20 118.29 1h0m s ILE 118 Ca 0.25 -1.13 -0.19 0.00 -1.10 0.00 0.00 60.65 58.48 1h0m s ILE 118 Cb -0.14 -0.81 -0.04 0.00 -1.06 0.00 0.00 42.46 40.40 1h0m s ILE 118 CO 0.13 -0.27 0.50 -0.54 -0.10 0.00 0.00 174.94 174.66 1h0m s LYS 119 N -1.54 4.32 0.34 2.79 1.02 -1.26 -1.19 119.74 124.22 1h0m s LYS 119 Ca -0.05 0.47 0.02 0.00 0.02 0.00 0.00 55.97 56.42 1h0m s LYS 119 Cb -0.09 -3.46 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1h0m s LYS 119 CO 0.01 0.11 0.15 0.25 -0.92 0.00 0.00 175.35 174.95 1h0m n THR 120 N 3.81 0.00 -1.35 2.17 -2.24 0.95 -4.92 114.28 112.71 1h0m n THR 120 Ca -0.06 -1.45 -0.37 0.00 -2.27 0.00 0.00 64.05 59.89 1h0m n THR 120 Cb 0.51 0.02 0.05 0.00 -2.10 0.00 0.00 70.33 68.81 1h0m n THR 120 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h0m n ALA 121 N -2.14 -1.67 -4.14 6.98 0.00 -1.26 -3.00 120.51 115.27 1h0m n ALA 121 Ca -0.12 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 52.84 1h0m n ALA 121 Cb 0.40 -1.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 1h0m n ALA 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h0m n ASN 122 N 0.56 -3.71 -1.62 0.00 4.13 -1.26 -2.30 115.26 111.06 1h0m n ASN 122 Ca 0.10 -0.95 -0.16 0.00 1.68 0.00 0.00 54.58 55.25 1h0m n ASN 122 Cb 0.49 -3.06 -0.03 0.00 -1.54 0.00 0.00 39.78 35.63 1h0m n ASN 122 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1h0m n GLY 123 N -1.48 0.52 0.00 7.41 0.00 -1.16 -5.16 105.19 105.31 1h0m n GLY 123 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1h0m n GLY 123 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h0m n PHE 124 N -3.38 0.00 -3.64 1.61 3.72 -0.97 -4.92 117.46 109.88 1h0m n PHE 124 Ca -0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.21 1h0m n PHE 124 Cb 0.60 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.15 1h0m n PHE 124 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1h0m n SER 126 N 0.00 -0.52 -3.67 4.37 7.64 -0.33 -0.03 113.62 121.08 1h0m n SER 126 Ca 0.00 -1.25 -0.11 0.00 1.01 0.00 0.00 58.87 58.52 1h0m n SER 126 Cb 0.00 0.84 -0.08 0.00 -1.01 0.00 0.00 64.21 63.96 1h0m n SER 126 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1h0m s PHE 128 N -4.40 -0.76 0.00 1.43 5.36 0.13 0.87 117.98 120.60 1h0m s PHE 128 Ca 0.08 1.69 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 1h0m s PHE 128 Cb -0.01 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 1h0m s PHE 128 CO 0.01 -0.38 0.00 -2.37 -1.46 0.00 0.00 175.22 171.03 1h0m n THR 129 N 3.44 0.00 -3.64 0.12 5.66 0.12 0.74 114.28 120.72 1h0m n THR 129 Ca -0.17 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.74 1h0m n THR 129 Cb 0.57 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.28 1h0m n THR 129 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1h0m s ALA 131 N -1.83 -1.96 0.24 1.79 0.00 0.41 1.00 121.76 121.40 1h0m s ALA 131 Ca 0.00 2.05 0.12 0.00 0.00 0.00 0.00 51.96 54.13 1h0m s ALA 131 Cb 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 1h0m s ALA 131 CO 0.00 -0.30 -0.21 0.45 0.00 0.00 0.00 175.76 175.70 1h0m s SER 132 N 0.67 3.56 0.12 0.00 0.15 -0.49 -0.16 113.70 117.54 1h0m s SER 132 Ca -0.02 -0.93 0.24 0.00 0.70 0.00 0.00 55.95 55.94 1h0m s SER 132 Cb -0.05 -0.30 0.21 0.00 -1.71 0.00 0.00 66.02 64.17 1h0m s SER 132 CO -0.08 0.08 1.20 -0.78 1.20 0.00 0.00 173.24 174.86 1h0m h ASP 133 N 2.72 0.00 -4.25 5.45 3.58 -1.75 0.85 116.42 123.01 1h0m h ASP 133 Ca -0.43 -0.21 -0.53 0.00 0.42 0.00 0.00 57.03 56.28 1h0m h ASP 133 Cb 1.23 0.00 0.19 0.00 1.72 0.00 0.00 39.33 42.47 1h0m h ASP 133 CO 0.54 0.10 0.27 -0.54 -2.88 0.00 0.00 179.24 176.74 1h0m s LYS 134 N -3.21 1.27 0.24 0.28 1.02 -1.26 -4.61 119.74 113.47 1h0m s LYS 134 Ca 0.04 1.63 -0.06 0.00 0.02 0.00 0.00 55.97 57.60 1h0m s LYS 134 Cb 0.13 -1.75 0.27 0.00 -0.52 0.00 0.00 37.83 35.96 1h0m s LYS 134 CO 0.75 -2.46 1.90 -1.00 -0.92 0.00 0.00 175.35 173.62 1h0m h PRO 135 N -1.48 1.19 0.00 -1.68 0.13 -1.92 -3.17 132.00 125.06 1h0m h PRO 135 Ca -0.44 -0.07 -0.17 0.00 -0.87 0.00 0.00 66.00 64.44 1h0m h PRO 135 Cb 1.28 -0.27 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 1h0m h PRO 135 CO 0.43 0.79 -0.12 1.33 -0.23 0.00 0.00 178.00 180.20 1h0m n VAL 136 N -4.46 0.00 -3.92 1.56 0.24 -1.26 -4.31 118.33 106.17 1h0m n VAL 136 Ca 0.12 -1.02 -0.10 0.00 -2.04 0.00 0.00 64.34 61.30 1h0m n VAL 136 Cb 0.06 0.59 -0.10 0.00 -1.47 0.00 0.00 33.84 32.92 1h0m n VAL 136 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1h0m s ILE 137 N -2.65 0.11 -0.13 1.34 -4.36 -1.26 -4.88 121.20 109.37 1h0m s ILE 137 Ca 0.17 -0.94 -0.04 0.00 -0.26 0.00 0.00 60.65 59.58 1h0m s ILE 137 Cb -0.00 -0.65 0.06 0.00 1.25 0.00 0.00 42.46 43.12 1h0m s ILE 137 CO 0.12 -0.52 0.15 -0.62 0.24 0.00 0.00 174.94 174.31 1h0m s ASP 138 N -1.78 1.34 0.00 4.36 -1.08 -1.26 -5.06 116.67 113.19 1h0m s ASP 138 Ca -0.10 -0.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 1h0m s ASP 138 Cb -0.05 0.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.55 1h0m s ASP 138 CO -0.02 -0.29 0.00 -0.38 0.52 0.00 0.00 175.17 175.00 1h0m n ILE 143 N 5.31 0.00 -2.31 4.11 5.41 -1.26 -5.26 119.36 125.35 1h0m n ILE 143 Ca -0.05 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.27 1h0m n ILE 143 Cb 0.50 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.40 1h0m n ILE 143 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1h0m s ASP 144 N 0.00 6.75 0.28 4.38 3.68 -1.26 -4.88 116.67 125.61 1h0m s ASP 144 Ca 0.00 1.63 -0.00 0.00 2.13 0.00 0.00 52.55 56.31 1h0m s ASP 144 Cb 0.00 -2.54 0.39 0.00 -1.45 0.00 0.00 42.92 39.33 1h0m s ASP 144 CO 0.00 -0.95 1.77 0.00 0.13 0.00 0.00 175.17 176.12 1h0m h ALA 145 N 9.07 1.14 -0.11 3.66 0.00 -1.98 0.19 119.26 131.24 1h0m h ALA 145 Ca -0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1h0m h ALA 145 Cb 1.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1h0m h ALA 145 CO 0.99 0.55 0.03 0.28 0.00 0.00 0.00 179.25 181.09 1h0m h VAL 146 N 0.64 1.20 -0.46 0.00 2.07 -1.99 -0.78 116.25 116.93 1h0m h VAL 146 Ca 0.12 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1h0m h VAL 146 Cb 0.48 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1h0m h VAL 146 CO 0.02 0.18 0.27 0.00 0.02 0.00 0.00 177.57 178.06 1h0m h ALA 147 N 0.82 0.58 -0.94 1.67 0.00 -1.88 -1.31 119.26 118.20 1h0m h ALA 147 Ca 0.03 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1h0m h ALA 147 Cb 0.25 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1h0m h ALA 147 CO 0.00 0.08 0.58 0.00 0.00 0.00 0.00 179.25 179.91 1h0m h ALA 148 N 1.12 1.35 -0.27 0.00 0.00 -0.42 -1.91 119.26 119.14 1h0m h ALA 148 Ca 0.16 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1h0m h ALA 148 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1h0m h ALA 148 CO -0.03 0.25 -0.13 0.00 0.00 0.00 0.00 179.25 179.34 1h0m h ALA 149 N 1.48 0.37 -0.92 0.00 0.00 -0.65 -2.35 119.26 117.20 1h0m h ALA 149 Ca 0.44 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1h0m h ALA 149 Cb 0.34 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1h0m h ALA 149 CO -0.23 0.25 0.56 0.00 0.00 0.00 0.00 179.25 179.83 1h0m h ALA 150 N 0.74 1.33 0.56 0.00 0.00 -0.71 -1.22 119.26 119.96 1h0m h ALA 150 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1h0m h ALA 150 Cb 0.64 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1h0m h ALA 150 CO 0.04 0.21 -0.27 1.15 0.00 0.00 0.00 179.25 180.38 1h0m h THR 151 N 0.94 0.11 -0.71 0.00 2.02 -1.24 -3.04 112.91 110.98 1h0m h THR 151 Ca 0.44 -0.45 0.17 0.00 0.77 0.00 0.00 66.41 67.34 1h0m h THR 151 Cb 0.36 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1h0m h THR 151 CO -0.23 0.02 0.49 0.40 0.37 0.00 0.00 175.52 176.57 1h0m h ILE 152 N -1.15 0.72 -0.80 3.11 1.08 -1.28 0.46 117.51 119.64 1h0m h ILE 152 Ca -0.08 -0.07 -0.04 0.00 -0.39 0.00 0.00 64.86 64.29 1h0m h ILE 152 Cb 0.61 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 1h0m h ILE 152 CO 0.13 0.04 0.36 1.23 -0.69 0.00 0.00 178.15 179.21 1h0m h GLY 153 N 0.19 1.27 0.93 5.37 0.00 -1.22 0.43 103.07 110.04 1h0m h GLY 153 Ca 0.35 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1h0m h GLY 153 CO -0.06 0.62 -0.05 1.46 0.00 0.00 0.00 176.54 178.51 1h0m h GLN 154 N 1.16 0.66 -0.53 4.80 4.20 -0.03 -1.66 115.11 123.71 1h0m h GLN 154 Ca 0.27 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1h0m h GLN 154 Cb 0.17 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1h0m h GLN 154 CO -0.03 0.80 0.13 0.82 -0.67 0.00 0.00 178.83 179.89 1h0m h ILE 155 N 0.46 1.24 -0.62 2.54 1.08 -0.68 -0.23 117.51 121.29 1h0m h ILE 155 Ca 0.09 -0.85 0.02 0.00 -0.39 0.00 0.00 64.86 63.73 1h0m h ILE 155 Cb 0.54 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 1h0m h ILE 155 CO 0.03 0.31 0.40 -0.74 -0.69 0.00 0.00 178.15 177.45 1h0m h HIS 156 N 0.73 0.75 -0.22 1.37 2.76 -0.05 0.49 115.15 120.98 1h0m h HIS 156 Ca 0.17 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1h0m h HIS 156 Cb 0.33 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 1h0m h HIS 156 CO 0.02 0.44 0.12 0.00 -1.30 0.00 0.00 177.93 177.22 1h0m h ALA 157 N 1.25 0.27 -0.45 5.26 0.00 -1.00 1.21 119.26 125.81 1h0m h ALA 157 Ca 0.24 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1h0m h ALA 157 Cb -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1h0m h ALA 157 CO -0.08 -0.28 -0.00 -0.09 0.00 0.00 0.00 179.25 178.80 1h0m h ARG 158 N 0.26 0.79 0.35 0.00 1.12 -0.36 -0.19 114.38 116.35 1h0m h ARG 158 Ca 0.09 -0.25 -0.02 0.00 -1.11 0.00 0.00 59.98 58.69 1h0m h ARG 158 Cb 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 29.89 1h0m h ARG 158 CO -0.04 0.86 -0.17 0.82 -3.11 0.00 0.00 179.97 178.32 1h0m h ILE 159 N 0.64 0.38 0.00 1.20 2.04 0.18 -3.31 117.51 118.63 1h0m h ILE 159 Ca 0.13 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1h0m h ILE 159 Cb 0.50 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1h0m h ILE 159 CO 0.02 0.09 0.00 -0.24 0.00 0.00 0.00 178.15 178.02 1h0m n SER 160 N -5.10 0.00 -0.27 1.72 2.88 0.42 -3.47 113.62 109.79 1h0m n SER 160 Ca -0.08 0.94 0.04 0.00 -1.33 0.00 0.00 58.87 58.44 1h0m n SER 160 Cb 0.26 -0.44 0.18 0.00 -0.75 0.00 0.00 64.21 63.45 1h0m n SER 160 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1h0m h PHE 161 N 0.00 0.71 0.00 0.66 3.57 -1.15 -1.77 116.94 118.96 1h0m h PHE 161 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1h0m h PHE 161 Cb 0.00 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1h0m h PHE 161 CO 0.15 0.22 0.00 -0.11 -2.23 0.00 0.00 178.31 176.34 1h0m n LEU 162 N -4.86 0.00 -3.44 0.59 -0.00 -1.23 -4.83 117.00 103.24 1h0m n LEU 162 Ca 0.14 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.97 1h0m n LEU 162 Cb 0.34 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.79 1h0m n LEU 162 CO 0.23 0.00 0.04 0.54 -0.00 0.00 0.00 177.39 178.21 1h0m n ARG 163 N -0.97 -1.48 -2.47 1.96 1.74 -0.66 -5.00 116.66 109.77 1h0m n ARG 163 Ca 0.00 0.89 -0.23 0.00 -0.77 0.00 0.00 57.85 57.74 1h0m n ARG 163 Cb 0.00 -4.62 0.05 0.00 -1.02 0.00 0.00 32.46 26.87 1h0m n ARG 163 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1h0m s THR 164 N -3.23 2.51 -0.16 0.55 -4.23 -1.23 -5.08 115.64 104.78 1h0m s THR 164 Ca 0.25 -0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 60.18 1h0m s THR 164 Cb -0.07 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 1h0m s THR 164 CO 0.81 0.00 0.08 -0.89 -0.54 0.00 0.00 174.62 174.08 1h0m s THR 165 N -2.95 4.95 0.19 3.99 2.01 -1.26 -5.03 115.64 117.55 1h0m s THR 165 Ca 0.58 0.02 -0.32 0.00 0.31 0.00 0.00 61.69 62.28 1h0m s THR 165 Cb -0.10 -3.20 -0.12 0.00 0.01 0.00 0.00 72.50 69.09 1h0m s THR 165 CO 0.41 0.51 1.75 -0.81 -0.69 0.00 0.00 174.62 175.79 1h0m n PRO 166 N 2.99 2.81 -0.18 4.92 -0.04 -1.26 -4.87 135.00 139.37 1h0m n PRO 166 Ca -0.18 1.01 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 1h0m n PRO 166 Cb 0.53 -2.87 0.07 0.00 -0.04 0.00 0.00 33.50 31.18 1h0m n PRO 166 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1h0m n THR 167 N 4.14 0.69 0.00 0.52 -2.24 0.36 -4.82 114.28 112.94 1h0m n THR 167 Ca 0.16 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1h0m n THR 167 Cb 0.36 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1h0m n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h0m n ALA 168 N 0.13 0.00 -3.65 6.98 0.00 -1.19 -4.77 120.51 118.00 1h0m n ALA 168 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1h0m n ALA 168 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 1h0m n ALA 168 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1h0m s GLU 169 N -2.23 0.04 0.52 0.00 -1.05 -1.26 -1.41 118.70 113.31 1h0m s GLU 169 Ca 0.00 0.06 -0.16 0.00 -0.15 0.00 0.00 54.97 54.72 1h0m s GLU 169 Cb 0.00 0.01 -0.13 0.00 -0.44 0.00 0.00 34.13 33.57 1h0m s GLU 169 CO 0.00 -0.01 -0.21 -0.40 0.95 0.00 0.00 175.26 175.60 1h0m n ASP 170 N 2.38 -3.61 -4.76 0.83 5.68 -1.02 -4.84 116.55 111.20 1h0m n ASP 170 Ca -0.14 0.52 -0.34 0.00 -0.50 0.00 0.00 54.79 54.33 1h0m n ASP 170 Cb 0.56 -0.75 0.05 0.00 -1.14 0.00 0.00 41.12 39.84 1h0m n ASP 170 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h0m s ALA 171 N -1.79 2.45 0.01 2.12 0.00 -1.26 -4.94 121.76 118.35 1h0m s ALA 171 Ca 0.49 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 1h0m s ALA 171 Cb -0.40 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.42 1h0m s ALA 171 CO 0.62 -1.28 0.68 0.00 0.00 0.00 0.00 175.76 175.77 1h0m s ALA 172 N -2.07 -1.73 -0.05 0.00 0.00 -1.26 -5.11 121.76 111.55 1h0m s ALA 172 Ca 0.71 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 1h0m s ALA 172 Cb -0.24 0.24 0.11 0.00 0.00 0.00 0.00 23.12 23.23 1h0m s ALA 172 CO 0.38 -0.50 0.95 1.67 0.00 0.00 0.00 175.76 178.27 1h0m s TRP 173 N -2.00 -0.31 -0.06 0.00 1.48 -1.26 -5.08 118.94 111.70 1h0m s TRP 173 Ca -0.07 0.21 0.01 0.00 -1.06 0.00 0.00 56.10 55.19 1h0m s TRP 173 Cb -0.00 0.53 0.02 0.00 -1.16 0.00 0.00 33.47 32.86 1h0m s TRP 173 CO 0.02 -0.47 -0.06 -0.51 -4.06 0.00 0.00 176.95 171.88 1h0m s LEU 174 N -2.35 1.25 0.52 -4.66 1.43 -1.26 -5.08 118.68 108.52 1h0m s LEU 174 Ca 0.05 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1h0m s LEU 174 Cb -0.01 -0.58 -0.06 0.00 0.03 0.00 0.00 46.19 45.58 1h0m s LEU 174 CO -0.08 -0.07 0.91 1.51 0.23 0.00 0.00 176.35 178.86 1h0m s ASP 175 N 1.16 6.41 0.31 2.29 1.47 -1.26 -4.73 116.67 122.32 1h0m s ASP 175 Ca -0.07 1.30 0.02 0.00 1.18 0.00 0.00 52.55 54.99 1h0m s ASP 175 Cb -0.14 -2.41 0.77 0.00 -0.34 0.00 0.00 42.92 40.81 1h0m s ASP 175 CO -0.01 -0.63 1.57 1.55 0.68 0.00 0.00 175.17 178.33 1h0m h PRO 176 N 0.49 0.01 0.76 2.11 0.13 -2.00 0.36 132.00 133.85 1h0m h PRO 176 Ca -0.46 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1h0m h PRO 176 Cb 1.19 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1h0m h PRO 176 CO 0.62 0.01 -0.42 0.87 -0.23 0.00 0.00 178.00 178.85 1h0m h LYS 177 N 0.01 -1.05 0.04 0.86 1.79 -1.99 -0.70 116.57 115.52 1h0m h LYS 177 Ca 0.61 0.07 0.02 0.00 -2.18 0.00 0.00 60.65 59.17 1h0m h LYS 177 Cb 1.27 0.24 -0.05 0.00 -1.58 0.00 0.00 32.23 32.10 1h0m h LYS 177 CO -0.92 -0.70 -0.53 0.93 -1.08 0.00 0.00 179.45 177.15 1h0m h GLU 178 N -1.09 -0.67 -0.94 3.15 5.08 -1.58 -0.65 114.58 117.87 1h0m h GLU 178 Ca -0.10 0.05 0.25 0.00 -1.00 0.00 0.00 59.36 58.56 1h0m h GLU 178 Cb 0.86 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 1h0m h GLU 178 CO 0.13 -0.45 0.65 0.00 -1.00 0.00 0.00 179.01 178.35 1h0m h ALA 179 N -0.42 2.59 -0.02 3.43 0.00 -0.94 0.31 119.26 124.22 1h0m h ALA 179 Ca 0.01 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1h0m h ALA 179 Cb 0.73 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1h0m h ALA 179 CO -0.34 -0.88 -0.51 1.15 0.00 0.00 0.00 179.25 178.67 1h0m h THR 180 N 0.18 1.44 -0.32 0.00 2.02 0.32 -2.03 112.91 114.52 1h0m h THR 180 Ca 0.48 -2.00 -0.09 0.00 0.77 0.00 0.00 66.41 65.57 1h0m h THR 180 Cb 1.57 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 70.52 1h0m h THR 180 CO -0.10 0.58 -0.14 1.88 0.37 0.00 0.00 175.52 178.11 1h0m h TYR 181 N -0.15 0.76 -0.45 3.16 0.05 -0.02 -2.69 116.97 117.64 1h0m h TYR 181 Ca -0.06 -0.18 -0.02 0.00 0.05 0.00 0.00 58.73 58.52 1h0m h TYR 181 Cb 1.21 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 1h0m h TYR 181 CO 0.15 0.87 0.19 1.25 -1.05 0.00 0.00 178.16 179.57 1h0m h LEU 182 N 0.43 0.57 -1.24 3.88 5.85 -0.52 0.11 115.31 124.39 1h0m h LEU 182 Ca 0.07 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1h0m h LEU 182 Cb 0.66 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1h0m h LEU 182 CO 0.04 0.52 -0.11 0.03 -0.34 0.00 0.00 178.44 178.58 1h0m h ARG 183 N 0.64 0.39 -0.01 1.25 3.08 -1.16 0.94 114.38 119.51 1h0m h ARG 183 Ca 0.16 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1h0m h ARG 183 Cb 0.11 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1h0m h ARG 183 CO -0.02 0.51 -0.01 -1.49 -1.07 0.00 0.00 179.97 177.89 1h0m h TRP 184 N 0.37 0.02 -0.86 3.04 4.06 -0.92 -3.12 115.95 118.54 1h0m h TRP 184 Ca 0.07 -0.01 0.21 0.00 2.06 0.00 0.00 58.89 61.22 1h0m h TRP 184 Cb 0.42 -0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.45 1h0m h TRP 184 CO 0.01 0.54 0.32 0.82 -3.56 0.00 0.00 178.44 176.58 1h0m h ILE 185 N -0.51 0.47 0.00 1.49 1.08 -0.60 0.84 117.51 120.28 1h0m h ILE 185 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1h0m h ILE 185 Cb 0.54 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 1h0m h ILE 185 CO 0.00 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.53 1h0m n ALA 186 N -2.56 1.86 -2.10 1.87 0.00 0.29 -1.29 120.51 118.57 1h0m n ALA 186 Ca 0.20 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.62 1h0m n ALA 186 Cb 0.61 -1.09 0.10 0.00 0.00 0.00 0.00 19.45 19.07 1h0m n ALA 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1h0m n VAL 187 N -0.77 1.31 -1.08 0.00 0.31 0.29 -4.99 118.33 113.40 1h0m n VAL 187 Ca 0.04 -2.45 -0.03 0.00 -0.01 0.00 0.00 64.34 61.90 1h0m n VAL 187 Cb 0.02 0.29 -0.01 0.00 -0.91 0.00 0.00 33.84 33.23 1h0m n VAL 187 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1h0m n GLY 188 N -0.41 0.39 3.79 2.92 0.00 -0.41 -4.99 105.19 106.48 1h0m n GLY 188 Ca 0.15 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1h0m n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h0m s LYS 189 N -1.75 3.41 0.00 1.61 -0.14 -1.19 -5.02 119.74 116.66 1h0m s LYS 189 Ca 0.00 1.32 0.00 0.00 -1.36 0.00 0.00 55.97 55.93 1h0m s LYS 189 Cb 0.00 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.11 1h0m s LYS 189 CO 0.00 -0.75 0.00 0.25 -0.76 0.00 0.00 175.35 174.09 1h0m n THR 190 N -1.66 0.00 0.00 2.17 -2.24 -1.26 -4.59 114.28 106.70 1h0m n THR 190 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1h0m n THR 190 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1h0m n THR 190 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1h0m n GLU 192 N 0.00 0.00 -0.09 -0.78 2.13 -1.26 -0.72 120.64 119.92 1h0m n GLU 192 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1h0m n GLU 192 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1h0m n GLU 192 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1h0m h GLU 193 N 0.00 0.42 0.32 5.31 5.08 -2.00 -2.02 114.58 121.70 1h0m h GLU 193 Ca 0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1h0m h GLU 193 Cb 0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1h0m h GLU 193 CO 0.00 0.44 -0.31 0.82 -1.00 0.00 0.00 179.01 178.97 1h0m h ILE 194 N 0.30 0.36 -1.00 3.13 2.04 -1.28 -1.31 117.51 119.76 1h0m h ILE 194 Ca 0.09 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.18 1h0m h ILE 194 Cb 0.18 0.36 -0.09 0.00 -0.74 0.00 0.00 36.82 36.52 1h0m h ILE 194 CO -0.01 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.77 1h0m h ALA 195 N -0.11 2.03 -0.23 1.87 0.00 -1.79 -0.68 119.26 120.34 1h0m h ALA 195 Ca -0.02 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1h0m h ALA 195 Cb 0.59 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1h0m h ALA 195 CO -0.05 -0.40 -0.22 0.22 0.00 0.00 0.00 179.25 178.80 1h0m h ASP 196 N 0.52 0.59 -0.03 0.00 3.58 -0.65 0.48 116.42 120.91 1h0m h ASP 196 Ca 0.57 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1h0m h ASP 196 Cb 1.23 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 1h0m h ASP 196 CO -0.31 0.94 -0.02 0.58 -2.88 0.00 0.00 179.24 177.56 1h0m h VAL 197 N 0.25 1.33 0.00 2.25 2.07 -0.08 -2.84 116.25 119.23 1h0m h VAL 197 Ca 0.04 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1h0m h VAL 197 Cb 0.78 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1h0m h VAL 197 CO 0.06 0.28 0.00 -0.62 0.02 0.00 0.00 177.57 177.30 1h0m n GLU 198 N -4.83 0.87 -3.29 1.57 -0.58 -0.39 -4.92 120.64 109.06 1h0m n GLU 198 Ca -0.08 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.51 1h0m n GLU 198 Cb 0.24 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.69 1h0m n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h0m n GLY 199 N 0.85 -0.62 3.32 0.62 0.00 -0.68 -5.05 105.19 103.63 1h0m n GLY 199 Ca 0.21 0.26 -0.20 0.00 0.00 0.00 0.00 46.02 46.29 1h0m n GLY 199 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h0m s VAL 200 N -3.36 0.08 0.25 1.61 -7.23 0.16 -5.02 120.40 106.89 1h0m s VAL 200 Ca 0.17 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.04 1h0m s VAL 200 Cb -0.02 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 1h0m s VAL 200 CO 0.70 0.00 1.19 -0.54 -0.31 0.00 0.00 175.10 176.15 1h0m s LYS 201 N -3.48 4.51 0.19 4.82 -0.14 -1.26 -4.45 119.74 119.93 1h0m s LYS 201 Ca 0.38 1.93 -0.20 0.00 -1.36 0.00 0.00 55.97 56.73 1h0m s LYS 201 Cb 0.02 -3.18 0.14 0.00 -1.68 0.00 0.00 37.83 33.13 1h0m s LYS 201 CO 0.26 -0.01 1.59 -0.92 -0.76 0.00 0.00 175.35 175.51 1h0m h TYR 202 N 4.39 -0.81 -0.04 3.18 3.20 -1.94 0.67 116.97 125.61 1h0m h TYR 202 Ca -0.46 0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.49 1h0m h TYR 202 Cb 1.22 0.44 -0.00 0.00 1.54 0.00 0.00 36.73 39.93 1h0m h TYR 202 CO 0.60 -0.36 0.15 -0.91 -1.64 0.00 0.00 178.16 175.99 1h0m h ASN 203 N -0.14 0.00 0.07 -2.11 2.35 -1.98 -0.51 115.58 113.26 1h0m h ASN 203 Ca 0.24 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1h0m h ASN 203 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1h0m h ASN 203 CO -0.66 0.00 -0.04 0.77 -1.65 0.00 0.00 177.43 175.85 1h0m h SER 204 N 0.00 -0.08 -0.23 5.81 4.64 -1.23 -0.00 113.55 122.45 1h0m h SER 204 Ca 0.02 -0.49 0.03 0.00 -0.47 0.00 0.00 61.79 60.88 1h0m h SER 204 Cb 0.31 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 1h0m h SER 204 CO -0.00 0.48 0.05 0.58 -0.87 0.00 0.00 176.83 177.08 1h0m h VAL 205 N -0.69 0.91 0.01 0.95 2.07 -1.31 0.29 116.25 118.47 1h0m h VAL 205 Ca -0.01 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1h0m h VAL 205 Cb 0.57 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1h0m h VAL 205 CO 0.02 0.03 -0.11 -0.09 0.02 0.00 0.00 177.57 177.43 1h0m h ARG 206 N 0.15 -0.14 -0.86 1.57 2.43 -1.12 -1.46 114.38 114.95 1h0m h ARG 206 Ca 0.10 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.42 1h0m h ARG 206 Cb 0.09 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.58 1h0m h ARG 206 CO -0.13 -0.09 0.46 0.28 -1.51 0.00 0.00 179.97 178.98 1h0m h VAL 207 N -0.15 0.77 0.38 0.20 2.07 -0.82 0.24 116.25 118.94 1h0m h VAL 207 Ca 0.00 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1h0m h VAL 207 Cb 0.15 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1h0m h VAL 207 CO -0.07 0.12 -0.22 0.50 0.02 0.00 0.00 177.57 177.93 1h0m h LYS 208 N 0.68 -0.53 -0.70 1.57 1.63 -0.15 0.88 116.57 119.94 1h0m h LYS 208 Ca 0.46 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.36 1h0m h LYS 208 Cb 0.61 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.30 1h0m h LYS 208 CO -0.34 -0.36 0.40 -0.07 -3.45 0.00 0.00 179.45 175.63 1h0m h LEU 209 N -0.55 0.59 -0.89 5.20 3.38 -1.12 -0.14 115.31 121.79 1h0m h LEU 209 Ca -0.05 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.09 1h0m h LEU 209 Cb 0.44 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 1h0m h LEU 209 CO 0.06 0.38 0.49 -0.09 0.09 0.00 0.00 178.44 179.37 1h0m h ARG 210 N 0.73 0.69 -0.13 1.13 2.43 -0.46 -1.34 114.38 117.42 1h0m h ARG 210 Ca 0.32 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1h0m h ARG 210 Cb 0.20 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1h0m h ARG 210 CO -0.19 0.45 0.04 1.49 -1.51 0.00 0.00 179.97 180.26 1h0m h GLU 211 N 0.71 0.20 -1.95 0.20 4.57 0.99 -2.41 114.58 116.88 1h0m h GLU 211 Ca 0.48 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 1h0m h GLU 211 Cb 0.64 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1h0m h GLU 211 CO -0.34 0.33 0.00 0.00 -1.18 0.00 0.00 179.01 177.82 1h0m n ALA 212 N -2.23 1.42 0.00 2.92 0.00 -0.51 -1.52 120.51 120.59 1h0m n ALA 212 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1h0m n ALA 212 Cb 0.13 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1h0m n ALA 212 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1h0m n LYS 214 N 1.00 0.00 -0.14 0.00 4.81 -0.91 -1.78 118.16 121.13 1h0m n LYS 214 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1h0m n LYS 214 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1h0m n LYS 214 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1h0m h ARG 215 N 0.00 0.60 0.00 1.64 2.43 -1.56 -2.42 114.38 115.07 1h0m h ARG 215 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1h0m h ARG 215 Cb 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1h0m h ARG 215 CO 0.00 0.50 -0.40 1.19 -1.51 0.00 0.00 179.97 179.75 1h0m n PHE 216 N -4.70 0.46 -2.71 2.20 3.01 -0.74 -4.98 117.46 110.01 1h0m n PHE 216 Ca 0.01 0.14 -0.02 0.00 1.01 0.00 0.00 57.45 58.58 1h0m n PHE 216 Cb 0.09 -0.62 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 1h0m n PHE 216 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1h0m n ASP 217 N -1.96 -6.71 -4.02 4.37 2.03 -0.91 -4.74 116.55 104.60 1h0m n ASP 217 Ca 0.05 0.08 -0.11 0.00 0.52 0.00 0.00 54.79 55.33 1h0m n ASP 217 Cb 0.41 -4.50 -0.11 0.00 -0.72 0.00 0.00 41.12 36.20 1h0m n ASP 217 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1h0m s VAL 218 N -2.80 0.32 -2.59 5.18 -7.23 -1.26 -4.90 120.40 107.12 1h0m s VAL 218 Ca 0.06 -1.04 0.24 0.00 -1.81 0.00 0.00 61.98 59.42 1h0m s VAL 218 Cb -0.02 -0.49 0.39 0.00 0.56 0.00 0.00 36.38 36.82 1h0m s VAL 218 CO 0.61 -0.47 1.46 0.54 -0.31 0.00 0.00 175.10 176.93 1h0m n ARG 219 N 1.45 2.11 -3.67 4.82 1.74 -1.26 -4.67 116.66 117.18 1h0m n ARG 219 Ca -0.23 -1.65 -0.14 0.00 -0.77 0.00 0.00 57.85 55.06 1h0m n ARG 219 Cb 0.55 -1.46 -0.08 0.00 -1.02 0.00 0.00 32.46 30.45 1h0m n ARG 219 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1h0m s SER 220 N -1.75 -0.48 0.24 0.55 1.04 -1.26 -5.03 113.70 107.01 1h0m s SER 220 Ca 0.34 0.72 -0.08 0.00 0.48 0.00 0.00 55.95 57.41 1h0m s SER 220 Cb 0.20 0.75 0.40 0.00 0.10 0.00 0.00 66.02 67.47 1h0m s SER 220 CO 0.30 -0.35 1.63 0.07 0.98 0.00 0.00 173.24 175.87 1h0m h LYS 221 N 4.40 0.06 -0.17 4.02 2.10 -1.99 0.10 116.57 125.10 1h0m h LYS 221 Ca -0.28 -0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.42 1h0m h LYS 221 Cb 1.17 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 32.42 1h0m h LYS 221 CO 0.28 0.04 -0.27 0.00 -2.00 0.00 0.00 179.45 177.51 1h0m h ALA 222 N 1.72 -0.24 -0.44 0.07 0.00 -1.98 0.41 119.26 118.80 1h0m h ALA 222 Ca 0.40 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.44 1h0m h ALA 222 Cb 0.68 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1h0m h ALA 222 CO -0.70 -0.72 -0.04 1.25 0.00 0.00 0.00 179.25 179.04 1h0m h HIS 223 N -0.31 -0.11 0.01 0.00 -0.00 -1.27 0.94 115.15 114.41 1h0m h HIS 223 Ca 0.11 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.54 1h0m h HIS 223 Cb 0.49 0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.99 1h0m h HIS 223 CO -0.38 -0.13 -0.12 1.25 -0.00 0.00 0.00 177.93 178.54 1h0m h LEU 224 N 0.07 -0.34 -0.73 0.26 5.85 0.40 0.45 115.31 121.26 1h0m h LEU 224 Ca 0.22 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.88 1h0m h LEU 224 Cb 0.32 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1h0m h LEU 224 CO -0.40 -0.17 -0.17 0.71 -0.34 0.00 0.00 178.44 178.07 1h0m h THR 225 N -0.21 1.27 -0.59 1.05 1.35 0.63 -0.12 112.91 116.29 1h0m h THR 225 Ca 0.04 -1.27 0.05 0.00 -0.55 0.00 0.00 66.41 64.69 1h0m h THR 225 Cb 0.26 1.13 -0.05 0.00 -1.73 0.00 0.00 68.15 67.76 1h0m h THR 225 CO -0.11 0.43 0.31 0.00 -0.25 0.00 0.00 175.52 175.90 1h0m h ALA 226 N 1.10 0.78 0.35 6.62 0.00 0.13 -1.51 119.26 126.73 1h0m h ALA 226 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1h0m h ALA 226 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1h0m h ALA 226 CO 0.05 -0.03 -0.17 1.25 0.00 0.00 0.00 179.25 180.35 1h0m h LEU 227 N 0.59 -0.40 -0.16 0.00 5.85 -0.60 -2.15 115.31 118.44 1h0m h LEU 227 Ca 0.27 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1h0m h LEU 227 Cb 0.17 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 1h0m h LEU 227 CO -0.18 -0.13 -0.36 0.00 -0.34 0.00 0.00 178.44 177.43 1h0m h ALA 228 N -0.10 -0.43 -0.58 1.25 0.00 -0.76 -0.23 119.26 118.42 1h0m h ALA 228 Ca -0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1h0m h ALA 228 Cb 0.47 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1h0m h ALA 228 CO 0.08 -0.84 0.39 0.82 0.00 0.00 0.00 179.25 179.70 1h0m h ILE 229 N -0.41 1.05 0.00 0.00 2.04 -1.32 0.26 117.51 119.13 1h0m h ILE 229 Ca 0.10 -0.22 -0.21 0.00 1.00 0.00 0.00 64.86 65.53 1h0m h ILE 229 Cb 0.58 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1h0m h ILE 229 CO -0.39 0.12 -0.90 0.03 0.00 0.00 0.00 178.15 177.00 1h0m h ARG 230 N 0.65 0.28 -0.90 2.37 3.08 -0.62 -3.00 114.38 116.25 1h0m h ARG 230 Ca 0.24 -0.31 -0.29 0.00 0.07 0.00 0.00 59.98 59.69 1h0m h ARG 230 Cb 0.13 0.09 -0.17 0.00 0.08 0.00 0.00 29.97 30.10 1h0m h ARG 230 CO -0.07 1.01 0.37 0.54 -1.07 0.00 0.00 179.97 180.76 1h0m n ARG 231 N -3.69 2.66 -2.00 0.04 1.74 -0.19 -4.88 116.66 110.34 1h0m n ARG 231 Ca -0.05 -2.46 -0.01 0.00 -0.77 0.00 0.00 57.85 54.55 1h0m n ARG 231 Cb 0.82 -2.00 -0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1h0m n ARG 231 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1h0m n LYS 232 N -0.43 -2.28 0.00 5.56 5.02 -0.82 -4.69 118.16 120.52 1h0m n LYS 232 Ca 0.41 0.06 0.08 0.00 -2.02 0.00 0.00 58.31 56.84 1h0m n LYS 232 Cb 1.32 -4.41 0.42 0.00 -0.02 0.00 0.00 35.03 32.34 1h0m n LYS 232 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1h0m n LEU 233 N -2.04 0.00 0.00 -0.35 4.77 0.84 -4.98 117.00 115.24 1h0m n LEU 233 Ca -0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1h0m n LEU 233 Cb 0.35 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1h0m n LEU 233 CO 0.02 -0.10 0.00 2.30 -1.33 0.00 0.00 177.39 178.28