#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 2.33 0.44 2.61 5.65 -1.26 -4.82 115.29 120.25 1h0m s HIS 3 Ca 0.00 1.50 0.14 0.00 0.25 0.00 0.00 55.06 56.95 1h0m s HIS 3 Cb 0.00 -3.12 0.99 0.00 -1.18 0.00 0.00 32.58 29.27 1h0m s HIS 3 CO 0.00 -2.17 1.99 0.11 -0.65 0.00 0.00 174.74 174.02 1h0m h TRP 4 N -1.40 0.03 -0.96 3.88 5.08 -1.99 -1.54 115.95 119.05 1h0m h TRP 4 Ca -0.46 -0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.51 1h0m h TRP 4 Cb 1.25 -0.01 -0.05 0.00 -3.00 0.00 0.00 29.16 27.36 1h0m h TRP 4 CO 0.52 0.19 0.60 -0.07 -1.28 0.00 0.00 178.44 178.40 1h0m h LEU 5 N 0.02 1.13 -0.34 0.11 3.38 -1.99 0.29 115.31 117.92 1h0m h LEU 5 Ca 0.00 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1h0m h LEU 5 Cb 0.31 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1h0m h LEU 5 CO 0.02 0.85 -0.47 0.44 0.09 0.00 0.00 178.44 179.37 1h0m h ASP 6 N 1.31 1.00 -0.91 -0.43 3.32 -1.71 -0.60 116.42 118.40 1h0m h ASP 6 Ca 0.35 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1h0m h ASP 6 Cb -0.09 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.13 1h0m h ASP 6 CO -0.07 1.30 0.58 0.11 -1.72 0.00 0.00 179.24 179.44 1h0m h LYS 7 N 0.72 1.22 -0.69 3.56 1.57 -0.63 -0.02 116.57 122.30 1h0m h LYS 7 Ca 0.04 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1h0m h LYS 7 Cb 1.07 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 1h0m h LYS 7 CO 0.11 0.83 0.24 -0.07 -0.57 0.00 0.00 179.45 179.99 1h0m h LEU 8 N 1.24 0.97 0.07 2.94 3.38 -0.12 0.84 115.31 124.63 1h0m h LEU 8 Ca 0.33 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1h0m h LEU 8 Cb -0.10 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.40 1h0m h LEU 8 CO -0.07 0.88 -0.03 0.74 0.09 0.00 0.00 178.44 180.05 1h0m h THR 9 N 1.01 1.07 -0.89 0.22 2.02 -0.33 -1.06 112.91 114.95 1h0m h THR 9 Ca 0.23 -0.47 0.14 0.00 0.77 0.00 0.00 66.41 67.08 1h0m h THR 9 Cb 0.25 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.94 1h0m h THR 9 CO -0.01 0.12 0.50 0.44 0.37 0.00 0.00 175.52 176.93 1h0m h ASP 10 N -0.30 0.64 -0.17 4.18 5.19 -0.77 -2.48 116.42 122.72 1h0m h ASP 10 Ca -0.01 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1h0m h ASP 10 Cb 0.26 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1h0m h ASP 10 CO 0.02 0.29 0.03 0.25 -3.12 0.00 0.00 179.24 176.70 1h0m h LEU 11 N 0.72 0.28 0.00 1.55 5.85 -0.45 -2.98 115.31 120.28 1h0m h LEU 11 Ca 0.48 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1h0m h LEU 11 Cb 0.63 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1h0m h LEU 11 CO -0.34 0.47 0.00 0.00 -0.34 0.00 0.00 178.44 178.24 1h0m n ALA 12 N -2.29 1.25 -0.11 1.25 0.00 -0.44 -1.44 120.51 118.73 1h0m n ALA 12 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1h0m n ALA 12 Cb 0.19 -0.83 0.06 0.00 0.00 0.00 0.00 19.45 18.87 1h0m n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h0m n ALA 13 N -0.57 2.08 -2.62 0.00 0.00 -1.13 -4.78 120.51 113.50 1h0m n ALA 13 Ca 0.00 -1.12 -0.21 0.00 0.00 0.00 0.00 53.44 52.11 1h0m n ALA 13 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 1h0m n ALA 13 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1h0m s ILE 14 N -1.09 4.02 0.23 0.00 -4.36 -0.52 -5.02 121.20 114.45 1h0m s ILE 14 Ca 0.09 -1.28 0.03 0.00 -0.26 0.00 0.00 60.65 59.24 1h0m s ILE 14 Cb 0.05 -3.34 -0.03 0.00 1.25 0.00 0.00 42.46 40.39 1h0m s ILE 14 CO 0.06 -0.23 0.37 -1.61 0.24 0.00 0.00 174.94 173.76 1h0m s GLU 15 N -3.98 3.45 0.00 0.37 0.41 -1.26 -4.98 118.70 112.71 1h0m s GLU 15 Ca 0.39 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 54.32 1h0m s GLU 15 Cb -0.07 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 1h0m s GLU 15 CO 0.27 0.41 0.00 0.41 -0.49 0.00 0.00 175.26 175.86 1h0m n GLY 16 N -1.19 -0.32 3.91 -1.39 0.00 -1.26 -4.73 105.19 100.21 1h0m n GLY 16 Ca -0.08 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1h0m n GLY 16 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1h0m s ASP 17 N -3.57 4.86 0.46 1.61 1.47 -1.26 -4.84 116.67 115.41 1h0m s ASP 17 Ca 0.00 0.72 0.22 0.00 1.18 0.00 0.00 52.55 54.66 1h0m s ASP 17 Cb 0.00 -1.36 1.22 0.00 -0.34 0.00 0.00 42.92 42.44 1h0m s ASP 17 CO 0.00 -1.63 1.90 -0.08 0.68 0.00 0.00 175.17 176.03 1h0m h GLU 18 N -0.76 0.25 0.36 2.11 4.81 -1.98 -1.30 114.58 118.07 1h0m h GLU 18 Ca -0.45 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1h0m h GLU 18 Cb 1.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1h0m h GLU 18 CO 0.63 0.16 -0.17 0.00 -0.73 0.00 0.00 179.01 178.90 1h0m h ILE 20 N -0.63 0.03 -0.73 0.00 1.08 -1.64 -0.90 117.51 114.73 1h0m h ILE 20 Ca -0.05 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.58 1h0m h ILE 20 Cb 0.46 0.03 -0.13 0.00 -3.07 0.00 0.00 36.82 34.11 1h0m h ILE 20 CO 0.08 0.00 0.02 0.25 -0.69 0.00 0.00 178.15 177.81 1h0m h LEU 21 N -0.81 -0.31 -0.59 1.44 5.85 -1.29 0.60 115.31 120.21 1h0m h LEU 21 Ca -0.02 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1h0m h LEU 21 Cb 0.78 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1h0m h LEU 21 CO -0.22 -0.16 0.38 0.11 -0.34 0.00 0.00 178.44 178.21 1h0m h LYS 22 N 0.12 0.75 0.03 1.25 1.79 -0.32 -1.53 116.57 118.64 1h0m h LYS 22 Ca 0.40 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.85 1h0m h LYS 22 Cb 0.69 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.13 1h0m h LYS 22 CO -0.63 0.49 -0.22 1.15 -1.08 0.00 0.00 179.45 179.16 1h0m h THR 23 N 0.77 0.48 -0.84 -0.16 2.02 0.47 -0.99 112.91 114.66 1h0m h THR 23 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1h0m h THR 23 Cb -0.06 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1h0m h THR 23 CO -0.06 0.00 0.54 1.23 0.37 0.00 0.00 175.52 177.60 1h0m h GLY 24 N -0.37 1.19 0.94 2.16 0.00 -1.00 -1.11 103.07 104.88 1h0m h GLY 24 Ca 0.05 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1h0m h GLY 24 CO -0.19 0.45 -0.17 1.41 0.00 0.00 0.00 176.54 178.04 1h0m h LEU 25 N 1.14 -0.41 -0.51 3.11 3.38 -0.83 -1.69 115.31 119.51 1h0m h LEU 25 Ca 0.31 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.35 1h0m h LEU 25 Cb -0.11 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 1h0m h LEU 25 CO -0.06 -0.24 -0.10 0.00 0.09 0.00 0.00 178.44 178.13 1h0m h ALA 26 N 0.07 0.37 -0.43 1.53 0.00 -0.81 -0.73 119.26 119.25 1h0m h ALA 26 Ca -0.05 0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1h0m h ALA 26 Cb 0.41 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1h0m h ALA 26 CO 0.08 -0.43 -0.04 0.22 0.00 0.00 0.00 179.25 179.08 1h0m h ASP 27 N 0.02 -0.27 0.06 0.00 3.58 -0.96 0.12 116.42 118.97 1h0m h ASP 27 Ca 0.25 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.81 1h0m h ASP 27 Cb 0.38 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1h0m h ASP 27 CO -0.50 -0.09 -0.03 0.40 -2.88 0.00 0.00 179.24 176.14 1h0m h ILE 28 N 0.06 1.00 -0.89 2.25 2.04 -0.34 -0.84 117.51 120.78 1h0m h ILE 28 Ca 0.21 -0.16 0.11 0.00 1.00 0.00 0.00 64.86 66.02 1h0m h ILE 28 Cb 0.32 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 1h0m h ILE 28 CO -0.39 0.04 0.58 0.00 0.00 0.00 0.00 178.15 178.38 1h0m h ALA 29 N 0.80 1.68 0.40 1.87 0.00 -0.59 -2.44 119.26 120.98 1h0m h ALA 29 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1h0m h ALA 29 Cb 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1h0m h ALA 29 CO 0.01 0.12 -0.19 0.22 0.00 0.00 0.00 179.25 179.41 1h0m h ASP 30 N 0.84 -0.45 -0.47 0.00 3.58 -0.55 0.16 116.42 119.53 1h0m h ASP 30 Ca 0.43 0.02 0.17 0.00 0.42 0.00 0.00 57.03 58.06 1h0m h ASP 30 Cb 0.49 0.12 -0.08 0.00 1.72 0.00 0.00 39.33 41.57 1h0m h ASP 30 CO -0.19 -0.21 0.17 1.57 -2.88 0.00 0.00 179.24 177.70 1h0m n HIS 31 N -4.07 0.46 -0.91 0.28 -0.00 -0.34 0.33 115.22 110.98 1h0m n HIS 31 Ca -0.07 0.55 0.06 0.00 0.46 0.00 0.00 57.72 58.72 1h0m n HIS 31 Cb 0.21 -0.95 0.40 0.00 -0.12 0.00 0.00 29.99 29.53 1h0m n HIS 31 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1h0m n PHE 32 N -4.21 2.13 -2.85 1.57 3.01 -1.03 -4.96 117.46 111.12 1h0m n PHE 32 Ca 0.15 -0.77 -0.03 0.00 1.01 0.00 0.00 57.45 57.82 1h0m n PHE 32 Cb 0.52 -0.53 0.02 0.00 -0.01 0.00 0.00 39.48 39.47 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 0.56 -1.02 3.16 1.37 0.00 1.01 -5.05 105.19 105.22 1h0m n GLY 33 Ca 0.29 0.39 -0.20 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.09 1.30 0.32 1.61 0.40 0.04 -4.84 117.98 113.74 1h0m s PHE 34 Ca 0.10 -0.38 0.32 0.00 -0.60 0.00 0.00 56.93 56.37 1h0m s PHE 34 Cb -0.01 -0.76 1.51 0.00 0.51 0.00 0.00 43.02 44.26 1h0m s PHE 34 CO 0.63 0.05 2.06 1.15 0.70 0.00 0.00 175.22 179.81 1h0m h THR 35 N 4.44 0.31 0.00 0.64 2.02 0.08 -3.39 112.91 117.01 1h0m h THR 35 Ca -0.39 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1h0m h THR 35 Cb 1.18 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1h0m h THR 35 CO 0.43 0.08 0.00 0.61 0.37 0.00 0.00 175.52 177.01 1h0m n GLY 36 N -0.42 -0.08 3.57 2.16 0.00 -1.21 -4.77 105.19 104.44 1h0m n GLY 36 Ca -0.01 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.97 2.42 -0.27 1.61 -0.85 -1.26 -0.71 117.35 116.31 1h0m s TYR 37 Ca 0.00 -0.61 -0.01 0.00 -0.52 0.00 0.00 57.07 55.93 1h0m s TYR 37 Cb 0.00 -1.55 0.16 0.00 0.38 0.00 0.00 41.96 40.94 1h0m s TYR 37 CO 0.00 0.48 0.45 0.00 -1.52 0.00 0.00 175.55 174.97 1h0m s ALA 38 N -2.71 -1.50 -0.28 9.51 0.00 0.15 -0.66 121.76 126.28 1h0m s ALA 38 Ca 0.34 1.11 -0.10 0.00 0.00 0.00 0.00 51.96 53.31 1h0m s ALA 38 Cb 0.06 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 1h0m s ALA 38 CO 0.17 -1.36 0.15 -0.47 0.00 0.00 0.00 175.76 174.25 1h0m s TYR 39 N 2.65 3.17 -0.11 0.00 6.14 0.72 -0.03 117.35 129.89 1h0m s TYR 39 Ca 0.15 -0.25 0.03 0.00 0.64 0.00 0.00 57.07 57.64 1h0m s TYR 39 Cb -0.15 -2.34 -0.01 0.00 0.42 0.00 0.00 41.96 39.89 1h0m s TYR 39 CO -0.19 -0.31 -0.20 -0.51 0.64 0.00 0.00 175.55 174.97 1h0m s LEU 40 N 1.68 2.32 -0.30 6.97 1.43 -1.26 -0.74 118.68 128.76 1h0m s LEU 40 Ca 0.06 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1h0m s LEU 40 Cb -0.16 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.62 1h0m s LEU 40 CO 0.07 0.17 0.03 -2.28 0.23 0.00 0.00 176.35 174.58 1h0m s HIS 41 N 0.28 3.22 -0.13 0.29 5.65 -0.21 -4.16 115.29 120.22 1h0m s HIS 41 Ca -0.14 -1.61 0.03 0.00 0.25 0.00 0.00 55.06 53.58 1h0m s HIS 41 Cb -0.17 -2.16 0.01 0.00 -1.18 0.00 0.00 32.58 29.08 1h0m s HIS 41 CO 0.07 -0.75 -0.22 0.96 -0.65 0.00 0.00 174.74 174.16 1h0m s ILE 42 N 1.33 2.01 -0.52 0.89 -4.36 -1.26 -0.49 121.20 118.80 1h0m s ILE 42 Ca -0.03 -0.95 -0.01 0.00 -0.26 0.00 0.00 60.65 59.40 1h0m s ILE 42 Cb -0.19 -1.78 0.14 0.00 1.25 0.00 0.00 42.46 41.88 1h0m s ILE 42 CO -0.00 0.54 0.31 -1.10 0.24 0.00 0.00 174.94 174.93 1h0m s GLN 43 N 0.79 2.21 0.00 0.37 -0.21 -1.11 -4.81 119.66 116.90 1h0m s GLN 43 Ca -0.08 -2.28 0.00 0.00 0.02 0.00 0.00 55.36 53.02 1h0m s GLN 43 Cb -0.16 -3.58 0.00 0.00 1.00 0.00 0.00 33.01 30.28 1h0m s GLN 43 CO -0.01 -1.11 0.00 0.72 -2.12 0.00 0.00 175.29 172.77 1h0m n HIS 44 N 3.81 0.00 0.00 0.91 8.25 -1.26 -2.57 115.22 124.36 1h0m n HIS 44 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1h0m n HIS 44 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1h0m n HIS 44 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1h0m n ARG 45 N 0.00 5.22 -1.10 -0.41 1.74 -1.26 -5.07 116.66 115.78 1h0m n ARG 45 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1h0m n ARG 45 Cb 0.00 -0.46 0.12 0.00 -1.02 0.00 0.00 32.46 31.10 1h0m n ARG 45 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1h0m s HIS 46 N -0.06 2.03 -0.27 -1.55 3.76 -1.06 -5.01 115.29 113.13 1h0m s HIS 46 Ca 0.00 1.67 -0.05 0.00 -0.15 0.00 0.00 55.06 56.53 1h0m s HIS 46 Cb 0.00 -3.30 0.15 0.00 1.11 0.00 0.00 32.58 30.54 1h0m s HIS 46 CO 0.00 -2.44 0.53 0.42 -0.85 0.00 0.00 174.74 172.40 1h0m s ILE 47 N -2.50 -0.86 0.21 0.60 1.01 -1.26 -2.77 121.20 115.63 1h0m s ILE 47 Ca 0.68 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 61.22 1h0m s ILE 47 Cb -0.23 -0.90 -0.07 0.00 0.01 0.00 0.00 42.46 41.26 1h0m s ILE 47 CO 0.53 -0.01 0.58 -0.89 0.00 0.00 0.00 174.94 175.14 1h0m s THR 48 N 2.76 4.86 -0.12 2.92 2.01 0.36 -4.94 115.64 123.49 1h0m s THR 48 Ca 0.09 0.69 -0.11 0.00 0.31 0.00 0.00 61.69 62.67 1h0m s THR 48 Cb -0.14 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.73 1h0m s THR 48 CO -0.18 0.05 0.32 0.00 -0.69 0.00 0.00 174.62 174.12 1h0m s ALA 49 N -1.69 -0.79 -0.17 7.40 0.00 -1.26 -1.05 121.76 124.20 1h0m s ALA 49 Ca 0.44 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1h0m s ALA 49 Cb -0.13 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.49 1h0m s ALA 49 CO 0.20 -0.16 -0.09 0.08 0.00 0.00 0.00 175.76 175.79 1h0m s VAL 50 N 0.24 1.41 0.14 0.00 1.01 0.08 -5.01 120.40 118.27 1h0m s VAL 50 Ca -0.01 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1h0m s VAL 50 Cb -0.03 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1h0m s VAL 50 CO -0.00 0.22 0.31 0.28 0.00 0.00 0.00 175.10 175.91 1h0m s THR 51 N 1.51 0.08 -0.23 3.92 -1.32 -1.26 -0.20 115.64 118.15 1h0m s THR 51 Ca 0.01 -1.15 0.09 0.00 -1.21 0.00 0.00 61.69 59.43 1h0m s THR 51 Cb -0.15 -1.59 -0.20 0.00 -1.51 0.00 0.00 72.50 69.05 1h0m s THR 51 CO -0.08 -0.37 -0.09 -3.20 -2.21 0.00 0.00 174.62 168.67 1h0m n ASN 52 N -0.19 1.21 -2.94 8.08 4.05 0.16 -4.97 115.26 120.66 1h0m n ASN 52 Ca -0.11 -0.08 -0.33 0.00 0.45 0.00 0.00 54.58 54.52 1h0m n ASN 52 Cb 0.63 0.22 -0.02 0.00 1.23 0.00 0.00 39.78 41.83 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 -3.01 -0.26 -1.58 1.20 4.02 -1.24 -4.66 117.16 111.64 1h0m n TYR 53 Ca -0.39 0.65 -0.58 0.00 -0.01 0.00 0.00 57.90 57.58 1h0m n TYR 53 Cb 1.05 -1.31 -0.08 0.00 -0.02 0.00 0.00 39.34 38.98 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 0.09 1.18 -0.38 -0.72 -0.00 -1.26 -4.67 115.22 109.47 1h0m n HIS 54 Ca 0.12 0.89 0.30 0.00 0.46 0.00 0.00 57.72 59.49 1h0m n HIS 54 Cb 0.16 -2.22 0.57 0.00 -0.12 0.00 0.00 29.99 28.38 1h0m n HIS 54 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1h0m h ARG 55 N 4.12 0.18 0.27 1.57 2.47 -1.98 0.34 114.38 121.34 1h0m h ARG 55 Ca -0.49 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.21 1h0m h ARG 55 Cb 1.38 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 1h0m h ARG 55 CO 0.76 0.12 -0.13 0.37 0.56 0.00 0.00 179.97 181.65 1h0m h GLN 56 N 0.19 -0.35 -0.34 0.04 5.75 -2.00 -1.86 115.11 116.54 1h0m h GLN 56 Ca 0.77 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 59.36 1h0m h GLN 56 Cb 2.11 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 30.72 1h0m h GLN 56 CO -0.52 -0.11 0.24 2.35 -2.65 0.00 0.00 178.83 178.13 1h0m h TRP 57 N -0.53 0.20 0.15 3.99 -0.00 -0.70 -1.55 115.95 117.51 1h0m h TRP 57 Ca -0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.85 1h0m h TRP 57 Cb 0.39 -0.07 0.00 0.00 -0.00 0.00 0.00 29.16 29.49 1h0m h TRP 57 CO -0.01 0.11 -0.07 1.96 -0.00 0.00 0.00 178.44 180.42 1h0m h GLN 58 N 0.20 -0.20 -0.54 2.65 4.20 -1.07 0.14 115.11 120.50 1h0m h GLN 58 Ca 0.15 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.93 1h0m h GLN 58 Cb 0.36 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.10 1h0m h GLN 58 CO -0.03 0.23 -0.48 0.77 -0.67 0.00 0.00 178.83 178.66 1h0m h SER 59 N -0.73 -1.66 -0.06 1.46 0.02 -0.57 0.88 113.55 112.89 1h0m h SER 59 Ca -0.02 0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1h0m h SER 59 Cb 0.52 0.70 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1h0m h SER 59 CO 0.03 -0.28 -0.17 0.00 -1.14 0.00 0.00 176.83 175.27 1h0m h THR 60 N -0.20 1.24 -0.75 -2.27 1.03 -1.37 -0.00 112.91 110.57 1h0m h THR 60 Ca 0.09 -1.07 0.09 0.00 -0.01 0.00 0.00 66.41 65.51 1h0m h THR 60 Cb 0.43 1.24 -0.07 0.00 -1.07 0.00 0.00 68.15 68.68 1h0m h THR 60 CO -0.61 0.34 0.40 0.22 -0.01 0.00 0.00 175.52 175.86 1h0m h TYR 61 N 0.39 0.72 0.00 0.00 3.20 0.17 -0.74 116.97 120.71 1h0m h TYR 61 Ca 0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1h0m h TYR 61 Cb 0.54 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1h0m h TYR 61 CO 0.02 0.27 -0.00 0.74 -1.64 0.00 0.00 178.16 177.54 1h0m h PHE 62 N 0.67 -0.00 -0.74 -3.82 0.05 -1.04 0.37 116.94 112.42 1h0m h PHE 62 Ca 0.37 -0.00 0.22 0.00 3.82 0.00 0.00 57.97 62.38 1h0m h PHE 62 Cb 0.37 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.29 1h0m h PHE 62 CO -0.09 0.84 0.64 -0.44 -0.18 0.00 0.00 178.31 179.08 1h0m h ASP 63 N -0.98 0.00 -0.34 2.17 5.19 -0.81 0.92 116.42 122.57 1h0m h ASP 63 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1h0m h ASP 63 Cb 0.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1h0m h ASP 63 CO 0.00 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.41 1h0m n LYS 64 N -3.93 2.50 -4.08 3.56 5.02 -0.30 -4.98 118.16 115.95 1h0m n LYS 64 Ca 0.15 -2.00 -0.29 0.00 -2.02 0.00 0.00 58.31 54.15 1h0m n LYS 64 Cb 0.91 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 34.58 1h0m n LYS 64 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1h0m n LYS 65 N 0.70 -2.94 0.01 1.97 5.02 0.32 -4.76 118.16 118.48 1h0m n LYS 65 Ca 0.13 0.35 0.01 0.00 -2.02 0.00 0.00 58.31 56.78 1h0m n LYS 65 Cb 0.43 -4.56 0.04 0.00 -0.02 0.00 0.00 35.03 30.92 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 -4.42 0.05 0.31 2.13 0.99 0.13 -1.94 117.46 114.70 1h0m n PHE 66 Ca -0.21 0.03 0.19 0.00 -0.00 0.00 0.00 57.45 57.46 1h0m n PHE 66 Cb 0.63 -0.54 1.06 0.00 -1.00 0.00 0.00 39.48 39.63 1h0m n PHE 66 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 1h0m h GLU 67 N 0.00 0.00 0.03 -1.08 -0.00 -1.86 0.55 114.58 112.22 1h0m h GLU 67 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 59.05 1h0m h GLU 67 Cb 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.71 1h0m h GLU 67 CO 0.00 0.00 -1.77 0.00 -0.00 0.00 0.00 179.01 177.24 1h0m n ALA 68 N -2.18 1.36 0.04 1.06 0.00 -0.82 -4.32 120.51 115.65 1h0m n ALA 68 Ca -0.03 -0.73 -0.17 0.00 0.00 0.00 0.00 53.44 52.52 1h0m n ALA 68 Cb 0.12 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 1h0m n ALA 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1h0m h LEU 69 N 0.02 0.35 -8.96 0.00 5.85 -1.46 -3.47 115.31 107.64 1h0m h LEU 69 Ca -0.32 -0.55 -0.72 0.00 0.84 0.00 0.00 57.88 57.13 1h0m h LEU 69 Cb 2.02 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.94 1h0m h LEU 69 CO 0.08 1.47 1.04 -0.67 -0.34 0.00 0.00 178.44 180.02 1h0m n ASP 70 N -3.41 2.28 0.06 1.25 -0.08 0.18 -4.83 116.55 112.00 1h0m n ASP 70 Ca -0.19 0.92 -0.03 0.00 -1.51 0.00 0.00 54.79 53.97 1h0m n ASP 70 Cb 1.05 -1.16 0.19 0.00 2.34 0.00 0.00 41.12 43.54 1h0m n ASP 70 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1h0m h PRO 71 N 8.43 0.33 -0.10 -0.67 0.11 -1.90 -1.43 132.00 136.78 1h0m h PRO 71 Ca -0.40 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 65.55 1h0m h PRO 71 Cb 1.32 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1h0m h PRO 71 CO 0.98 0.68 0.05 0.28 -0.21 0.00 0.00 178.00 179.79 1h0m h VAL 72 N 0.28 1.09 -0.65 3.15 2.07 -1.99 0.17 116.25 120.37 1h0m h VAL 72 Ca 0.03 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1h0m h VAL 72 Cb 0.83 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1h0m h VAL 72 CO 0.07 0.08 0.12 0.58 0.02 0.00 0.00 177.57 178.44 1h0m h VAL 73 N 0.06 1.26 0.08 2.57 2.07 -1.87 0.19 116.25 120.61 1h0m h VAL 73 Ca 0.04 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1h0m h VAL 73 Cb 0.09 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1h0m h VAL 73 CO -0.01 0.37 -0.13 0.50 0.02 0.00 0.00 177.57 178.33 1h0m h LYS 74 N 0.99 -0.25 -0.82 1.57 3.64 -0.93 -1.52 116.57 119.25 1h0m h LYS 74 Ca 0.20 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1h0m h LYS 74 Cb 0.41 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1h0m h LYS 74 CO 0.01 -0.17 0.46 -0.09 -2.27 0.00 0.00 179.45 177.39 1h0m h ARG 75 N -0.26 1.13 -0.44 1.90 2.43 -0.64 -0.95 114.38 117.55 1h0m h ARG 75 Ca 0.02 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1h0m h ARG 75 Cb 0.27 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1h0m h ARG 75 CO -0.07 0.82 0.30 0.00 -1.51 0.00 0.00 179.97 179.51 1h0m h ALA 76 N 1.37 2.00 -0.11 2.80 0.00 -0.04 -2.08 119.26 123.20 1h0m h ALA 76 Ca 0.29 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.96 1h0m h ALA 76 Cb 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1h0m h ALA 76 CO -0.05 -0.09 -0.83 0.00 0.00 0.00 0.00 179.25 178.28 1h0m h ARG 77 N 0.32 0.72 -0.00 0.00 3.08 -0.19 -3.26 114.38 115.06 1h0m h ARG 77 Ca 0.20 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1h0m h ARG 77 Cb 0.36 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1h0m h ARG 77 CO -0.04 1.23 -0.01 -1.13 -1.07 0.00 0.00 179.97 178.95 1h0m n SER 78 N -3.90 0.04 -3.64 7.04 3.41 -0.82 -4.83 113.62 110.92 1h0m n SER 78 Ca -0.08 -0.47 -0.04 0.00 -0.26 0.00 0.00 58.87 58.02 1h0m n SER 78 Cb 0.77 -0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 1h0m n SER 78 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1h0m s ARG 79 N -2.37 0.42 -1.06 4.33 3.52 -0.99 -5.06 118.95 117.75 1h0m s ARG 79 Ca 0.35 0.65 -0.02 0.00 -0.13 0.00 0.00 55.73 56.58 1h0m s ARG 79 Cb 0.21 0.12 0.31 0.00 -1.56 0.00 0.00 34.95 34.03 1h0m s ARG 79 CO 0.43 -0.08 1.77 1.63 -0.81 0.00 0.00 175.30 178.24 1h0m n LYS 80 N 3.28 5.17 -3.83 5.12 4.01 -1.26 -4.54 118.16 126.10 1h0m n LYS 80 Ca -0.17 -4.59 -0.13 0.00 -0.51 0.00 0.00 58.31 52.91 1h0m n LYS 80 Cb 0.57 -2.49 -0.15 0.00 -0.51 0.00 0.00 35.03 32.45 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 -3.79 0.03 0.33 2.13 2.46 -1.26 -4.85 115.29 110.33 1h0m s HIS 81 Ca 0.38 0.06 -0.28 0.00 0.47 0.00 0.00 55.06 55.69 1h0m s HIS 81 Cb 0.15 -0.12 -0.13 0.00 -0.13 0.00 0.00 32.58 32.36 1h0m s HIS 81 CO -0.07 -0.04 1.15 1.51 -2.47 0.00 0.00 174.74 174.82 1h0m n ILE 82 N 3.59 2.05 -3.96 0.89 3.06 -1.26 -4.59 119.36 119.14 1h0m n ILE 82 Ca -0.19 -0.50 -0.09 0.00 -2.50 0.00 0.00 62.75 59.46 1h0m n ILE 82 Cb 0.55 -1.30 -0.06 0.00 0.54 0.00 0.00 39.64 39.37 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 -1.10 0.34 0.05 9.51 -0.12 -0.66 -5.02 117.98 120.98 1h0m s PHE 83 Ca 0.57 -0.69 0.08 0.00 -0.05 0.00 0.00 56.93 56.84 1h0m s PHE 83 Cb -0.62 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 41.88 1h0m s PHE 83 CO 0.61 -0.91 -0.23 0.95 -0.05 0.00 0.00 175.22 175.59 1h0m s THR 84 N -3.99 1.83 0.20 -4.49 -4.23 -1.26 -1.13 115.64 102.56 1h0m s THR 84 Ca 0.20 -1.27 0.08 0.00 -1.18 0.00 0.00 61.69 59.52 1h0m s THR 84 Cb 0.00 -1.58 -0.05 0.00 1.34 0.00 0.00 72.50 72.22 1h0m s THR 84 CO 0.06 0.26 -0.15 -1.66 -0.54 0.00 0.00 174.62 172.58 1h0m s TRP 85 N -0.80 1.72 0.00 3.99 1.48 -0.69 -4.99 118.94 119.65 1h0m s TRP 85 Ca 0.09 -0.55 0.00 0.00 -1.06 0.00 0.00 56.10 54.58 1h0m s TRP 85 Cb -0.09 -0.81 0.00 0.00 -1.16 0.00 0.00 33.47 31.41 1h0m s TRP 85 CO 0.02 0.35 0.00 -1.13 -4.06 0.00 0.00 176.95 172.13 1h0m n SER 86 N -0.25 2.34 0.00 -2.66 3.41 -1.26 -1.72 113.62 113.48 1h0m n SER 86 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1h0m n SER 86 Cb 0.60 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1h0m n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h0m n GLY 87 N 1.75 1.02 0.01 5.00 0.00 -1.25 -4.22 105.19 107.50 1h0m n GLY 87 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h0m n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h0m h GLU 88 N 0.00 0.00 0.00 1.61 5.08 -1.81 -1.71 114.58 117.75 1h0m h GLU 88 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1h0m h GLU 88 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1h0m h GLU 88 CO 0.00 0.00 0.19 1.25 -1.00 0.00 0.00 179.01 179.45 1h0m h HIS 89 N -0.21 0.00 0.00 4.33 2.76 -1.84 0.25 115.15 120.45 1h0m h HIS 89 Ca 0.00 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 1h0m h HIS 89 Cb 0.05 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 1h0m h HIS 89 CO -0.02 0.00 -1.72 0.39 -1.30 0.00 0.00 177.93 175.28 1h0m n GLU 90 N -2.35 0.64 -0.33 5.26 1.02 -1.25 -4.51 120.64 119.12 1h0m n GLU 90 Ca -0.01 -0.00 0.22 0.00 -0.02 0.00 0.00 57.16 57.35 1h0m n GLU 90 Cb 0.22 -1.65 0.45 0.00 -0.02 0.00 0.00 31.44 30.44 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 0.00 0.34 -0.87 3.49 2.43 0.49 -2.28 114.38 117.98 1h0m h ARG 91 Ca -0.13 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1h0m h ARG 91 Cb 1.34 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 1h0m h ARG 91 CO 0.02 0.22 0.57 -1.35 -1.51 0.00 0.00 179.97 177.92 1h0m h PRO 92 N 0.35 0.97 -7.35 0.20 0.11 -1.79 -3.43 132.00 121.06 1h0m h PRO 92 Ca 0.71 -0.06 -0.42 0.00 0.11 0.00 0.00 66.00 66.34 1h0m h PRO 92 Cb 1.59 -0.22 0.19 0.00 0.11 0.00 0.00 31.00 32.66 1h0m h PRO 92 CO -0.59 0.64 0.12 -0.08 -0.21 0.00 0.00 178.00 177.88 1h0m s THR 93 N -5.88 1.67 0.20 -1.15 -1.32 -0.86 -4.90 115.64 103.41 1h0m s THR 93 Ca -0.11 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.08 1h0m s THR 93 Cb 0.19 -2.45 -0.17 0.00 -1.51 0.00 0.00 72.50 68.57 1h0m s THR 93 CO 0.79 0.00 0.63 0.00 -2.21 0.00 0.00 174.62 173.83 1h0m n LEU 94 N -4.72 -0.75 0.00 9.08 -0.00 -1.26 -4.98 117.00 114.38 1h0m n LEU 94 Ca 0.11 1.14 0.00 0.00 -0.00 0.00 0.00 56.01 57.26 1h0m n LEU 94 Cb 0.59 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 1h0m n LEU 94 CO 0.48 -2.69 0.00 -1.20 -0.00 0.00 0.00 177.39 173.98 1h0m n SER 95 N 1.88 0.00 0.00 1.45 7.64 -1.26 -4.85 113.62 118.47 1h0m n SER 95 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1h0m n SER 95 Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1h0m n SER 95 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1h0m n LYS 96 N 0.00 0.00 -0.02 1.43 4.81 -1.26 -4.27 118.16 118.85 1h0m n LYS 96 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1h0m n LYS 96 Cb 0.00 -0.43 -0.11 0.00 0.02 0.00 0.00 35.03 34.50 1h0m n LYS 96 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1h0m n ASP 97 N -1.56 1.61 0.21 3.14 8.00 -1.26 -3.69 116.55 123.00 1h0m n ASP 97 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1h0m n ASP 97 Cb 0.00 1.50 -0.05 0.00 -0.02 0.00 0.00 41.12 42.55 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 -0.57 -0.88 -1.24 5.08 -1.92 0.14 114.58 115.19 1h0m h GLU 98 Ca -0.08 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.55 1h0m h GLU 98 Cb 0.93 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 30.18 1h0m h GLU 98 CO 0.00 -0.34 0.31 -0.09 -1.00 0.00 0.00 179.01 177.90 1h0m h ARG 99 N -1.12 0.29 -0.19 2.33 1.12 -1.75 0.50 114.38 115.57 1h0m h ARG 99 Ca -0.06 -0.02 -0.14 0.00 -1.11 0.00 0.00 59.98 58.65 1h0m h ARG 99 Cb 0.50 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 1h0m h ARG 99 CO 0.10 0.19 -0.47 0.00 -3.11 0.00 0.00 179.97 176.68 1h0m h ALA 100 N 1.74 0.84 0.49 2.80 0.00 -1.62 -3.11 119.26 120.39 1h0m h ALA 100 Ca 0.55 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1h0m h ALA 100 Cb 1.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1h0m h ALA 100 CO -0.58 0.66 -0.46 0.35 0.00 0.00 0.00 179.25 179.21 1h0m h PHE 101 N 0.39 -1.28 -0.93 0.00 3.57 0.28 -1.68 116.94 117.30 1h0m h PHE 101 Ca 0.02 0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.76 1h0m h PHE 101 Cb 0.97 0.49 -0.13 0.00 2.79 0.00 0.00 35.95 40.08 1h0m h PHE 101 CO 0.03 -0.62 0.44 1.88 -2.23 0.00 0.00 178.31 177.81 1h0m h TYR 102 N -0.95 0.74 0.44 0.41 0.05 -1.36 -0.51 116.97 115.78 1h0m h TYR 102 Ca -0.06 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1h0m h TYR 102 Cb 0.81 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 1h0m h TYR 102 CO -0.22 -0.04 -0.29 -0.44 -1.05 0.00 0.00 178.16 176.12 1h0m h ASP 103 N 0.42 -0.73 -0.99 3.88 5.19 -1.36 0.50 116.42 123.33 1h0m h ASP 103 Ca 0.59 0.05 0.10 0.00 -0.62 0.00 0.00 57.03 57.14 1h0m h ASP 103 Cb 1.15 0.22 -0.08 0.00 0.18 0.00 0.00 39.33 40.80 1h0m h ASP 103 CO -0.53 -0.45 0.62 -0.74 -3.12 0.00 0.00 179.24 175.03 1h0m h HIS 104 N -0.70 1.14 -0.15 4.55 2.76 -0.34 -1.15 115.15 121.26 1h0m h HIS 104 Ca -0.05 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1h0m h HIS 104 Cb 0.58 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1h0m h HIS 104 CO -0.11 0.51 0.05 0.00 -1.30 0.00 0.00 177.93 177.09 1h0m h ALA 105 N 1.50 0.16 -1.25 5.26 0.00 -0.34 -2.56 119.26 122.03 1h0m h ALA 105 Ca 0.46 0.01 0.40 0.00 0.00 0.00 0.00 54.91 55.78 1h0m h ALA 105 Cb 0.35 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 1h0m h ALA 105 CO -0.23 -0.39 0.81 1.03 0.00 0.00 0.00 179.25 180.47 1h0m h SER 106 N 0.13 0.29 0.00 0.00 0.87 0.13 0.14 113.55 115.11 1h0m h SER 106 Ca 0.06 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1h0m h SER 106 Cb 0.03 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1h0m h SER 106 CO -0.06 -0.12 0.00 0.47 -0.53 0.00 0.00 176.83 176.59 1h0m n ASP 107 N -4.68 0.00 -1.06 6.23 9.92 -0.96 -1.70 116.55 124.30 1h0m n ASP 107 Ca 0.34 -0.17 0.04 0.00 -0.53 0.00 0.00 54.79 54.48 1h0m n ASP 107 Cb 1.30 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.85 1h0m n ASP 107 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1h0m n PHE 108 N -0.84 0.00 -0.98 1.24 3.01 0.50 -4.98 117.46 115.42 1h0m n PHE 108 Ca 0.02 -0.67 0.00 0.00 1.01 0.00 0.00 57.45 57.81 1h0m n PHE 108 Cb 0.01 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 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 -0.05 0.35 3.35 1.37 0.00 -0.69 -4.82 105.19 104.71 1h0m n GLY 109 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.78 5.83 -0.19 -0.61 1.01 -1.24 -1.99 121.20 122.23 1h0m s ILE 110 Ca 0.00 -3.15 0.05 0.00 0.00 0.00 0.00 60.65 57.55 1h0m s ILE 110 Cb 0.00 -4.61 -0.15 0.00 0.01 0.00 0.00 42.46 37.71 1h0m s ILE 110 CO 0.00 -1.20 -0.11 0.54 0.00 0.00 0.00 174.94 174.17 1h0m n ARG 111 N 3.25 0.77 -4.06 2.79 1.74 -0.67 -3.60 116.66 116.89 1h0m n ARG 111 Ca 0.23 0.08 -0.12 0.00 -0.77 0.00 0.00 57.85 57.27 1h0m n ARG 111 Cb 0.41 -1.40 -0.05 0.00 -1.02 0.00 0.00 32.46 30.40 1h0m n ARG 111 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1h0m s SER 112 N -5.64 0.38 0.00 0.55 1.04 0.10 -3.92 113.70 106.21 1h0m s SER 112 Ca -0.21 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1h0m s SER 112 Cb 0.06 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1h0m s SER 112 CO 0.51 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1h0m n GLY 113 N -0.45 -0.99 3.20 7.32 0.00 -0.70 0.19 105.19 113.77 1h0m n GLY 113 Ca -0.00 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 2.06 -0.09 -0.61 1.01 -1.26 -1.70 121.20 118.61 1h0m s ILE 114 Ca 0.00 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.67 1h0m s ILE 114 Cb 0.00 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.68 1h0m s ILE 114 CO 0.00 0.56 -0.18 -0.89 0.00 0.00 0.00 174.94 174.43 1h0m s THR 115 N 0.49 1.62 -0.40 2.92 2.01 -0.28 -4.24 115.64 117.76 1h0m s THR 115 Ca -0.15 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 1h0m s THR 115 Cb -0.17 -1.44 0.11 0.00 0.01 0.00 0.00 72.50 71.01 1h0m s THR 115 CO 0.05 0.46 0.17 -0.63 -0.69 0.00 0.00 174.62 173.98 1h0m s ILE 116 N 0.60 2.96 0.04 1.82 1.01 0.28 -1.65 121.20 126.25 1h0m s ILE 116 Ca -0.15 -2.22 -0.25 0.00 0.00 0.00 0.00 60.65 58.03 1h0m s ILE 116 Cb -0.17 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1h0m s ILE 116 CO 0.05 -0.67 0.76 -2.16 0.00 0.00 0.00 174.94 172.92 1h0m s PRO 117 N 0.97 4.49 -0.01 2.79 0.04 -1.26 -1.85 135.00 140.17 1h0m s PRO 117 Ca 0.10 1.05 0.07 0.00 0.04 0.00 0.00 61.00 62.26 1h0m s PRO 117 Cb -0.22 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 1h0m s PRO 117 CO -0.05 0.26 -0.23 0.42 0.04 0.00 0.00 177.00 177.44 1h0m s ILE 118 N 0.02 1.83 -0.42 0.56 -1.09 0.22 -4.16 121.20 118.17 1h0m s ILE 118 Ca 0.39 -1.02 -0.25 0.00 -2.23 0.00 0.00 60.65 57.54 1h0m s ILE 118 Cb -0.20 -1.53 0.02 0.00 -1.58 0.00 0.00 42.46 39.17 1h0m s ILE 118 CO 0.23 0.49 0.90 -0.75 -1.23 0.00 0.00 174.94 174.58 1h0m s LYS 119 N -0.61 3.63 0.08 2.79 2.20 -1.26 -1.40 119.74 125.18 1h0m s LYS 119 Ca 0.09 0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.98 1h0m s LYS 119 Cb -0.09 -3.88 0.01 0.00 -1.51 0.00 0.00 37.83 32.37 1h0m s LYS 119 CO -0.01 -1.09 0.11 -2.37 -0.36 0.00 0.00 175.35 171.63 1h0m n THR 120 N 6.20 0.00 -1.95 3.43 5.66 0.04 -4.94 114.28 122.72 1h0m n THR 120 Ca 0.06 -0.23 -0.35 0.00 -3.05 0.00 0.00 64.05 60.48 1h0m n THR 120 Cb 0.48 -1.09 0.04 0.00 -1.55 0.00 0.00 70.33 68.21 1h0m n THR 120 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1h0m s ALA 121 N -2.38 2.51 -1.51 1.79 0.00 -1.26 -3.58 121.76 117.33 1h0m s ALA 121 Ca 0.08 0.83 -0.06 0.00 0.00 0.00 0.00 51.96 52.81 1h0m s ALA 121 Cb -0.01 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1h0m s ALA 121 CO 0.05 -1.17 0.65 0.09 0.00 0.00 0.00 175.76 175.38 1h0m n ASN 122 N -1.85 -5.82 0.00 0.00 3.02 -1.26 -2.20 115.26 107.16 1h0m n ASN 122 Ca 0.12 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1h0m n ASN 122 Cb 0.51 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.97 1h0m n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h0m n GLY 123 N -1.52 0.49 0.00 7.41 0.00 -1.24 -5.13 105.19 105.19 1h0m n GLY 123 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.44 0.00 -3.65 1.61 3.72 -0.93 -4.88 117.46 110.89 1h0m n PHE 124 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1h0m n PHE 124 Cb 0.09 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.96 -3.64 4.37 7.64 -0.49 -0.78 113.62 119.75 1h0m n SER 126 Ca 0.00 -1.53 -0.08 0.00 1.01 0.00 0.00 58.87 58.27 1h0m n SER 126 Cb 0.00 1.57 -0.07 0.00 -1.01 0.00 0.00 64.21 64.69 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 -4.11 -1.01 0.00 1.43 5.36 -0.77 0.72 117.98 119.59 1h0m s PHE 128 Ca 0.12 2.07 0.00 0.00 -0.96 0.00 0.00 56.93 58.16 1h0m s PHE 128 Cb -0.02 0.58 0.00 0.00 -0.34 0.00 0.00 43.02 43.24 1h0m s PHE 128 CO 0.03 -0.50 0.00 2.41 -1.46 0.00 0.00 175.22 175.70 1h0m n THR 129 N 4.12 0.00 -3.64 0.12 -1.04 0.96 -0.56 114.28 114.24 1h0m n THR 129 Ca -0.19 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.81 1h0m n THR 129 Cb 0.58 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.03 1h0m n THR 129 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1h0m s ALA 131 N -2.00 -2.40 -0.07 2.41 0.00 0.11 0.32 121.76 120.14 1h0m s ALA 131 Ca 0.00 2.14 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1h0m s ALA 131 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 1h0m s ALA 131 CO 0.00 -0.34 -0.06 0.45 0.00 0.00 0.00 175.76 175.81 1h0m s SER 132 N 1.26 4.71 0.00 0.00 0.15 0.51 0.77 113.70 121.10 1h0m s SER 132 Ca -0.09 -0.00 0.28 0.00 0.70 0.00 0.00 55.95 56.83 1h0m s SER 132 Cb -0.03 -1.21 1.48 0.00 -1.71 0.00 0.00 66.02 64.55 1h0m s SER 132 CO -0.13 0.36 1.97 -0.90 1.20 0.00 0.00 173.24 175.74 1h0m n ASP 133 N 2.23 0.45 -4.87 5.45 3.85 -0.84 0.01 116.55 122.83 1h0m n ASP 133 Ca -0.18 -1.24 -0.31 0.00 -0.71 0.00 0.00 54.79 52.35 1h0m n ASP 133 Cb 0.53 -0.01 -0.03 0.00 -1.35 0.00 0.00 41.12 40.26 1h0m n ASP 133 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1h0m s LYS 134 N -1.98 3.80 0.20 0.11 1.02 -1.26 -4.70 119.74 116.93 1h0m s LYS 134 Ca 0.41 0.60 -0.10 0.00 0.02 0.00 0.00 55.97 56.90 1h0m s LYS 134 Cb 0.20 -2.30 0.26 0.00 -0.52 0.00 0.00 37.83 35.47 1h0m s LYS 134 CO 0.32 -0.15 1.74 -1.00 -0.92 0.00 0.00 175.35 175.34 1h0m h PRO 135 N 0.98 0.36 0.00 -1.68 0.13 -1.91 -3.25 132.00 126.63 1h0m h PRO 135 Ca -0.47 -0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.31 1h0m h PRO 135 Cb 1.19 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 1h0m h PRO 135 CO 0.63 0.24 -0.30 1.33 -0.23 0.00 0.00 178.00 179.67 1h0m n VAL 136 N -5.02 0.00 -3.99 1.56 0.24 -1.26 -4.48 118.33 105.37 1h0m n VAL 136 Ca 0.08 -1.79 -0.31 0.00 -2.04 0.00 0.00 64.34 60.29 1h0m n VAL 136 Cb 0.27 0.94 -0.16 0.00 -1.47 0.00 0.00 33.84 33.42 1h0m n VAL 136 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1h0m s ILE 137 N -2.98 1.71 -0.16 1.34 1.01 -1.26 -4.97 121.20 115.89 1h0m s ILE 137 Ca 0.29 -1.17 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 1h0m s ILE 137 Cb 0.01 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 1h0m s ILE 137 CO 0.21 0.07 -0.05 -0.62 0.00 0.00 0.00 174.94 174.55 1h0m s ASP 138 N 1.34 4.67 -0.02 3.58 -1.08 -1.26 -5.08 116.67 118.81 1h0m s ASP 138 Ca -0.04 -0.17 0.07 0.00 -0.52 0.00 0.00 52.55 51.89 1h0m s ASP 138 Cb -0.18 -1.76 -0.02 0.00 -1.46 0.00 0.00 42.92 39.51 1h0m s ASP 138 CO -0.07 0.15 -0.23 -0.76 0.52 0.00 0.00 175.17 174.78 1h0m s LEU 139 N 0.45 2.04 0.17 -1.34 1.43 -1.26 -5.02 118.68 115.15 1h0m s LEU 139 Ca -0.04 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.48 1h0m s LEU 139 Cb -0.14 -1.21 0.08 0.00 0.03 0.00 0.00 46.19 44.94 1h0m s LEU 139 CO 0.03 0.27 1.80 -0.78 0.23 0.00 0.00 176.35 177.90 1h0m h ASP 140 N 5.67 0.41 -4.29 2.29 3.58 -2.08 -3.42 116.42 118.58 1h0m h ASP 140 Ca -0.39 0.01 -0.56 0.00 0.42 0.00 0.00 57.03 56.51 1h0m h ASP 140 Cb 1.14 -0.07 -0.26 0.00 1.72 0.00 0.00 39.33 41.86 1h0m h ASP 140 CO 0.47 0.29 -0.83 -0.13 -2.88 0.00 0.00 179.24 176.16 1h0m s ARG 141 N -6.15 1.32 0.35 0.28 0.52 -1.26 -5.13 118.95 108.89 1h0m s ARG 141 Ca -0.13 -0.91 -0.26 0.00 -0.52 0.00 0.00 55.73 53.91 1h0m s ARG 141 Cb 0.12 -1.42 -0.09 0.00 0.52 0.00 0.00 34.95 34.08 1h0m s ARG 141 CO 0.73 0.36 1.02 -1.83 0.02 0.00 0.00 175.30 175.60 1h0m s GLU 142 N -1.17 4.41 0.19 3.54 -1.05 -1.26 -5.01 118.70 118.35 1h0m s GLU 142 Ca 0.07 1.50 -0.30 0.00 -0.15 0.00 0.00 54.97 56.09 1h0m s GLU 142 Cb -0.09 -2.76 -0.08 0.00 -0.44 0.00 0.00 34.13 30.76 1h0m s GLU 142 CO 0.02 0.08 1.03 0.42 0.95 0.00 0.00 175.26 177.76 1h0m s ILE 143 N -1.54 4.02 -0.15 1.83 1.01 -1.26 -4.96 121.20 120.14 1h0m s ILE 143 Ca 0.52 1.82 -0.29 0.00 0.00 0.00 0.00 60.65 62.71 1h0m s ILE 143 Cb -0.23 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 1h0m s ILE 143 CO 0.29 0.35 1.85 -0.62 0.00 0.00 0.00 174.94 176.81 1h0m s ASP 144 N -0.44 6.19 0.24 3.58 2.15 -1.26 -4.89 116.67 122.24 1h0m s ASP 144 Ca 0.46 1.98 -0.05 0.00 0.43 0.00 0.00 52.55 55.37 1h0m s ASP 144 Cb -0.27 -2.53 0.40 0.00 -0.30 0.00 0.00 42.92 40.22 1h0m s ASP 144 CO 0.34 -1.35 1.77 0.00 -0.17 0.00 0.00 175.17 175.75 1h0m h ALA 145 N 11.65 1.07 -0.51 3.66 0.00 -1.96 0.22 119.26 133.39 1h0m h ALA 145 Ca -0.40 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1h0m h ALA 145 Cb 1.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1h0m h ALA 145 CO 0.97 -0.07 -0.07 0.28 0.00 0.00 0.00 179.25 180.36 1h0m h VAL 146 N 0.59 1.26 -0.14 0.00 2.07 -2.00 -1.84 116.25 116.19 1h0m h VAL 146 Ca 0.39 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1h0m h VAL 146 Cb 0.47 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1h0m h VAL 146 CO -0.31 0.41 -0.03 0.00 0.02 0.00 0.00 177.57 177.66 1h0m h ALA 147 N 1.09 0.19 -0.38 1.67 0.00 -1.68 -2.48 119.26 117.68 1h0m h ALA 147 Ca 0.14 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1h0m h ALA 147 Cb 0.59 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1h0m h ALA 147 CO 0.04 -0.05 -0.21 0.00 0.00 0.00 0.00 179.25 179.02 1h0m h ALA 148 N 0.70 0.05 -0.23 0.00 0.00 -0.85 -1.49 119.26 117.43 1h0m h ALA 148 Ca 0.04 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1h0m h ALA 148 Cb 0.46 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1h0m h ALA 148 CO 0.01 -0.59 -0.21 0.00 0.00 0.00 0.00 179.25 178.47 1h0m h ALA 149 N 1.08 -0.08 -0.87 0.00 0.00 -1.27 -0.04 119.26 118.08 1h0m h ALA 149 Ca 0.19 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1h0m h ALA 149 Cb 0.44 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1h0m h ALA 149 CO -0.47 -0.64 0.57 0.00 0.00 0.00 0.00 179.25 178.72 1h0m h ALA 150 N 0.86 1.52 0.21 0.00 0.00 -0.88 -0.48 119.26 120.49 1h0m h ALA 150 Ca 0.13 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 1h0m h ALA 150 Cb 0.42 -0.27 0.04 0.00 0.00 0.00 0.00 17.79 17.98 1h0m h ALA 150 CO -0.36 0.36 -1.37 1.79 0.00 0.00 0.00 179.25 179.67 1h0m h THR 151 N 1.01 1.30 -0.14 0.00 1.35 -0.55 -2.82 112.91 113.05 1h0m h THR 151 Ca 0.37 -2.62 -0.05 0.00 -0.55 0.00 0.00 66.41 63.56 1h0m h THR 151 Cb 0.16 2.96 -0.01 0.00 -1.73 0.00 0.00 68.15 69.53 1h0m h THR 151 CO -0.13 0.78 -0.15 0.40 -0.25 0.00 0.00 175.52 176.18 1h0m h ILE 152 N 0.14 1.18 -0.66 6.82 1.08 -0.86 0.11 117.51 125.33 1h0m h ILE 152 Ca -0.23 -0.82 -0.04 0.00 -0.39 0.00 0.00 64.86 63.37 1h0m h ILE 152 Cb 2.06 1.24 -0.03 0.00 -3.07 0.00 0.00 36.82 37.03 1h0m h ILE 152 CO 0.26 0.25 0.24 1.23 -0.69 0.00 0.00 178.15 179.45 1h0m h GLY 153 N 0.77 1.08 1.48 5.37 0.00 -1.10 0.19 103.07 110.86 1h0m h GLY 153 Ca 0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.65 1h0m h GLY 153 CO 0.02 0.57 -0.31 1.46 0.00 0.00 0.00 176.54 178.29 1h0m h GLN 154 N 0.95 0.59 -0.14 4.80 4.20 -0.90 -2.00 115.11 122.62 1h0m h GLN 154 Ca 0.22 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1h0m h GLN 154 Cb 0.24 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1h0m h GLN 154 CO -0.01 0.83 -0.09 0.82 -0.67 0.00 0.00 178.83 179.71 1h0m h ILE 155 N 0.50 1.33 -0.33 2.54 1.08 -0.54 -0.43 117.51 121.67 1h0m h ILE 155 Ca 0.06 -1.17 0.07 0.00 -0.39 0.00 0.00 64.86 63.43 1h0m h ILE 155 Cb 0.78 1.81 -0.07 0.00 -3.07 0.00 0.00 36.82 36.27 1h0m h ILE 155 CO 0.06 0.34 -0.11 -0.74 -0.69 0.00 0.00 178.15 177.01 1h0m h HIS 156 N -0.06 -0.26 0.10 1.37 -0.00 -0.56 0.21 115.15 115.95 1h0m h HIS 156 Ca 0.03 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.44 1h0m h HIS 156 Cb 0.57 0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 28.13 1h0m h HIS 156 CO 0.07 -0.18 -0.13 0.00 -0.00 0.00 0.00 177.93 177.69 1h0m h ALA 157 N 1.26 -0.24 -0.51 5.26 0.00 -1.33 -1.23 119.26 122.47 1h0m h ALA 157 Ca 0.16 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1h0m h ALA 157 Cb 0.29 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1h0m h ALA 157 CO -0.36 -0.66 0.15 -0.09 0.00 0.00 0.00 179.25 178.29 1h0m h ARG 158 N -0.28 0.30 -0.68 0.00 9.65 -0.04 -1.95 114.38 121.39 1h0m h ARG 158 Ca 0.01 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1h0m h ARG 158 Cb 0.28 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 1h0m h ARG 158 CO -0.06 0.20 0.35 0.82 2.80 0.00 0.00 179.97 184.08 1h0m h ILE 159 N 0.31 1.22 -0.46 1.20 2.04 -0.40 -2.64 117.51 118.78 1h0m h ILE 159 Ca 0.25 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1h0m h ILE 159 Cb 0.31 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1h0m h ILE 159 CO -0.29 0.25 0.16 0.77 0.00 0.00 0.00 178.15 179.03 1h0m h SER 160 N 0.93 0.60 0.39 1.72 4.64 -0.51 -1.81 113.55 119.52 1h0m h SER 160 Ca 0.24 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1h0m h SER 160 Cb 0.07 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1h0m h SER 160 CO -0.03 0.56 0.00 -0.26 -0.87 0.00 0.00 176.83 176.23 1h0m h PHE 161 N 0.65 0.00 -0.47 4.77 0.05 -1.01 -2.45 116.94 118.49 1h0m h PHE 161 Ca 0.16 0.00 0.05 0.00 3.82 0.00 0.00 57.97 62.00 1h0m h PHE 161 Cb 0.17 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.07 1h0m h PHE 161 CO 0.01 0.00 0.20 -0.07 -0.18 0.00 0.00 178.31 178.27 1h0m h LEU 162 N 0.00 0.25 -4.27 1.54 3.38 -1.35 -2.27 115.31 112.59 1h0m h LEU 162 Ca 0.00 0.04 -0.66 0.00 0.09 0.00 0.00 57.88 57.35 1h0m h LEU 162 Cb 0.20 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.61 1h0m h LEU 162 CO 0.00 0.18 0.29 -2.11 0.09 0.00 0.00 178.44 176.89 1h0m n ARG 163 N -4.96 3.03 0.03 1.13 1.85 -0.93 -4.64 116.66 112.18 1h0m n ARG 163 Ca 0.04 -3.73 0.00 0.00 -1.00 0.00 0.00 57.85 53.16 1h0m n ARG 163 Cb 0.15 -2.28 0.00 0.00 -1.05 0.00 0.00 32.46 29.29 1h0m n ARG 163 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1h0m n THR 164 N -0.71 0.00 -2.58 8.89 -1.04 -1.03 -5.08 114.28 112.73 1h0m n THR 164 Ca 0.53 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 1h0m n THR 164 Cb 0.62 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1h0m n THR 164 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1h0m n THR 165 N -2.65 0.00 0.00 12.58 -1.04 -0.89 -5.08 114.28 117.20 1h0m n THR 165 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1h0m n THR 165 Cb 0.00 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 1h0m n THR 165 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1h0m n ASP 170 N -0.95 -0.48 -1.36 8.00 9.92 -1.26 -4.77 116.55 125.65 1h0m n ASP 170 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.31 1h0m n ASP 170 Cb 0.00 0.00 0.26 0.00 -0.64 0.00 0.00 41.12 40.74 1h0m n ASP 170 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h0m n ALA 171 N -2.27 3.31 0.40 2.24 0.00 -1.26 -4.42 120.51 118.50 1h0m n ALA 171 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1h0m n ALA 171 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1h0m n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h0m n ALA 172 N 0.46 2.97 -0.99 0.00 0.00 -1.26 -4.95 120.51 116.74 1h0m n ALA 172 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1h0m n ALA 172 Cb 0.82 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 1h0m n ALA 172 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1h0m n TRP 173 N 0.92 0.23 -2.61 0.00 5.03 -1.26 -4.87 117.44 114.87 1h0m n TRP 173 Ca 0.00 0.70 -0.36 0.00 3.03 0.00 0.00 57.50 60.86 1h0m n TRP 173 Cb 0.47 -1.38 -0.05 0.00 -1.03 0.00 0.00 31.31 29.31 1h0m n TRP 173 CO 0.00 0.00 0.00 -0.51 -0.03 0.00 0.00 177.69 177.15 1h0m s LEU 174 N 0.55 4.16 0.53 -0.99 1.43 -1.26 -4.99 118.68 118.11 1h0m s LEU 174 Ca 0.56 1.97 -0.20 0.00 -1.03 0.00 0.00 54.13 55.44 1h0m s LEU 174 Cb -0.79 -4.18 -0.06 0.00 0.03 0.00 0.00 46.19 41.18 1h0m s LEU 174 CO 0.38 -0.40 1.11 1.51 0.23 0.00 0.00 176.35 179.18 1h0m s ASP 175 N -1.62 5.87 0.18 2.29 1.47 -1.26 -4.59 116.67 119.01 1h0m s ASP 175 Ca 0.57 2.11 0.06 0.00 1.18 0.00 0.00 52.55 56.47 1h0m s ASP 175 Cb -0.20 -2.58 0.56 0.00 -0.34 0.00 0.00 42.92 40.36 1h0m s ASP 175 CO 0.26 -1.11 0.84 -0.81 0.68 0.00 0.00 175.17 175.02 1h0m n PRO 176 N -1.22 -0.04 0.17 2.11 -0.04 -1.26 -0.84 135.00 133.88 1h0m n PRO 176 Ca 0.11 0.76 -0.12 0.00 -0.04 0.00 0.00 63.50 64.22 1h0m n PRO 176 Cb 0.51 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 1h0m n PRO 176 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1h0m h LYS 177 N 0.00 -0.47 -0.76 0.54 1.57 -1.98 0.20 116.57 115.67 1h0m h LYS 177 Ca 0.39 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.36 1h0m h LYS 177 Cb 0.93 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.21 1h0m h LYS 177 CO -0.45 -0.16 -0.09 0.93 -0.57 0.00 0.00 179.45 179.10 1h0m h GLU 178 N -0.97 0.04 0.67 3.15 5.08 -1.33 0.76 114.58 121.98 1h0m h GLU 178 Ca -0.05 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1h0m h GLU 178 Cb 0.52 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1h0m h GLU 178 CO 0.08 0.03 -0.39 0.00 -1.00 0.00 0.00 179.01 177.73 1h0m h ALA 179 N 1.74 -1.22 -0.80 3.43 0.00 -1.17 0.27 119.26 121.51 1h0m h ALA 179 Ca 0.39 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1h0m h ALA 179 Cb 0.66 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1h0m h ALA 179 CO -0.73 -1.17 0.52 1.79 0.00 0.00 0.00 179.25 179.66 1h0m h THR 180 N -0.99 1.15 -0.18 0.00 1.35 0.26 -0.35 112.91 114.16 1h0m h THR 180 Ca -0.09 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.40 1h0m h THR 180 Cb 0.78 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 1h0m h THR 180 CO 0.10 0.19 0.04 1.88 -0.25 0.00 0.00 175.52 177.47 1h0m h TYR 181 N 1.02 0.30 -0.38 4.73 0.99 0.56 -2.99 116.97 121.20 1h0m h TYR 181 Ca 0.31 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 61.00 1h0m h TYR 181 Cb -0.03 -0.08 -0.02 0.00 1.00 0.00 0.00 36.73 37.60 1h0m h TYR 181 CO -0.02 0.43 0.23 1.25 -0.00 0.00 0.00 178.16 180.04 1h0m h LEU 182 N 0.09 0.44 -1.54 3.88 5.85 -0.03 -1.34 115.31 122.65 1h0m h LEU 182 Ca 0.05 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1h0m h LEU 182 Cb 0.28 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1h0m h LEU 182 CO 0.00 0.34 -0.18 0.03 -0.34 0.00 0.00 178.44 178.29 1h0m h ARG 183 N 0.51 0.00 0.00 1.25 3.08 -0.93 -1.22 114.38 117.07 1h0m h ARG 183 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1h0m h ARG 183 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1h0m h ARG 183 CO -0.03 0.18 -0.06 -1.49 -1.07 0.00 0.00 179.97 177.51 1h0m h TRP 184 N 0.00 0.05 -1.01 3.04 -0.00 -1.17 -3.12 115.95 113.74 1h0m h TRP 184 Ca -0.00 -0.03 0.23 0.00 -0.00 0.00 0.00 58.89 59.09 1h0m h TRP 184 Cb 0.53 -0.01 -0.11 0.00 -0.00 0.00 0.00 29.16 29.57 1h0m h TRP 184 CO 0.00 0.85 0.62 0.82 -0.00 0.00 0.00 178.44 180.72 1h0m h ILE 185 N -0.76 0.58 0.00 1.49 1.08 -1.11 0.59 117.51 119.38 1h0m h ILE 185 Ca -0.01 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1h0m h ILE 185 Cb 0.86 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1h0m h ILE 185 CO 0.01 0.11 0.00 0.00 -0.69 0.00 0.00 178.15 177.58 1h0m n ALA 186 N -2.36 1.51 -0.40 1.87 0.00 -0.49 -1.69 120.51 118.95 1h0m n ALA 186 Ca 0.25 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.82 1h0m n ALA 186 Cb 0.72 -1.31 0.15 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.02 1.36 0.00 0.00 0.31 0.20 -5.00 118.33 113.18 1h0m n VAL 187 Ca 0.02 -1.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.05 1h0m n VAL 187 Cb 0.17 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 -0.05 3.33 3.49 2.92 0.00 -0.68 -5.06 105.19 109.13 1h0m n GLY 188 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1h0m n GLY 188 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h0m n LYS 189 N -1.57 0.28 0.00 1.61 4.76 -1.12 -4.95 118.16 117.17 1h0m n LYS 189 Ca 0.00 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1h0m n LYS 189 Cb 0.00 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 1h0m n LYS 189 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1h0m n THR 190 N -2.52 0.00 0.00 -0.18 -2.24 -1.26 -4.42 114.28 103.66 1h0m n THR 190 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1h0m n THR 190 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1h0m n THR 190 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1h0m n GLU 192 N 0.00 0.00 -0.06 -0.78 0.28 -1.26 -0.64 120.64 118.17 1h0m n GLU 192 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 1h0m n GLU 192 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 1h0m n GLU 192 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1h0m h GLU 193 N 0.00 0.79 0.24 3.44 5.08 -1.99 -1.12 114.58 121.01 1h0m h GLU 193 Ca 0.00 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1h0m h GLU 193 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1h0m h GLU 193 CO 0.00 1.08 -0.11 0.82 -1.00 0.00 0.00 179.01 179.80 1h0m h ILE 194 N 0.62 0.79 -0.83 3.13 2.04 -1.23 -1.33 117.51 120.70 1h0m h ILE 194 Ca 0.03 -0.15 0.14 0.00 1.00 0.00 0.00 64.86 65.89 1h0m h ILE 194 Cb 1.04 0.88 -0.09 0.00 -0.74 0.00 0.00 36.82 37.92 1h0m h ILE 194 CO 0.10 0.03 0.43 0.00 0.00 0.00 0.00 178.15 178.71 1h0m h ALA 195 N 0.36 1.23 -0.89 1.87 0.00 -1.79 0.35 119.26 120.39 1h0m h ALA 195 Ca -0.03 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h0m h ALA 195 Cb 0.30 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1h0m h ALA 195 CO 0.05 -0.08 0.59 -0.44 0.00 0.00 0.00 179.25 179.37 1h0m h ASP 196 N 0.63 1.02 0.01 0.00 3.32 -0.70 0.34 116.42 121.02 1h0m h ASP 196 Ca 0.45 -0.02 -0.25 0.00 0.02 0.00 0.00 57.03 57.22 1h0m h ASP 196 Cb 0.61 -0.25 0.02 0.00 0.22 0.00 0.00 39.33 39.92 1h0m h ASP 196 CO -0.35 0.73 -0.96 0.58 -1.72 0.00 0.00 179.24 177.52 1h0m h VAL 197 N 1.20 1.29 0.00 -1.35 2.07 0.04 -3.27 116.25 116.23 1h0m h VAL 197 Ca 0.33 -2.20 -0.01 0.00 0.82 0.00 0.00 66.70 65.64 1h0m h VAL 197 Cb -0.13 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1h0m h VAL 197 CO -0.07 0.68 -0.05 -0.33 0.02 0.00 0.00 177.57 177.81 1h0m h GLU 198 N 0.41 0.00 -1.61 1.57 4.39 -0.90 -2.03 114.58 116.41 1h0m h GLU 198 Ca -0.10 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1h0m h GLU 198 Cb 1.60 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.27 1h0m h GLU 198 CO 0.19 0.05 -0.06 0.41 -1.16 0.00 0.00 179.01 178.44 1h0m n GLY 199 N 1.07 0.73 3.29 -3.84 0.00 0.07 -4.87 105.19 101.63 1h0m n GLY 199 Ca 0.04 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.03 0.60 0.35 1.61 -7.23 -0.95 -5.07 120.40 106.68 1h0m s VAL 200 Ca 0.04 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.94 1h0m s VAL 200 Cb -0.02 -2.48 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 1h0m s VAL 200 CO 0.06 -0.15 1.24 -0.54 -0.31 0.00 0.00 175.10 175.40 1h0m s LYS 201 N -4.00 4.28 0.25 4.82 -0.14 -1.26 -4.54 119.74 119.15 1h0m s LYS 201 Ca 0.34 2.06 -0.03 0.00 -1.36 0.00 0.00 55.97 56.97 1h0m s LYS 201 Cb 0.07 -2.96 0.41 0.00 -1.68 0.00 0.00 37.83 33.67 1h0m s LYS 201 CO 0.11 -0.19 1.84 -0.92 -0.76 0.00 0.00 175.35 175.42 1h0m h TYR 202 N 3.19 1.01 -0.00 3.18 3.20 -1.94 0.33 116.97 125.94 1h0m h TYR 202 Ca -0.49 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1h0m h TYR 202 Cb 1.23 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 1h0m h TYR 202 CO 0.56 0.46 0.00 -0.91 -1.64 0.00 0.00 178.16 176.63 1h0m h ASN 203 N 0.95 0.00 0.57 -2.11 2.35 -1.97 0.36 115.58 115.74 1h0m h ASN 203 Ca 0.41 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.14 1h0m h ASN 203 Cb 0.29 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.67 1h0m h ASN 203 CO -0.21 0.00 -0.28 -1.28 -1.65 0.00 0.00 177.43 174.01 1h0m h SER 204 N 0.00 -0.65 -0.40 5.81 0.87 -0.70 0.20 113.55 118.68 1h0m h SER 204 Ca 0.00 -0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.57 1h0m h SER 204 Cb 0.00 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1h0m h SER 204 CO -0.00 -0.31 0.14 0.58 -0.53 0.00 0.00 176.83 176.71 1h0m h VAL 205 N -1.02 0.88 -0.23 2.23 2.07 -1.16 0.33 116.25 119.36 1h0m h VAL 205 Ca -0.08 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.40 1h0m h VAL 205 Cb 0.65 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1h0m h VAL 205 CO 0.13 0.05 -0.29 -0.09 0.02 0.00 0.00 177.57 177.39 1h0m h ARG 206 N 0.30 -0.30 0.50 1.57 2.43 -0.18 -2.36 114.38 116.34 1h0m h ARG 206 Ca 0.19 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1h0m h ARG 206 Cb 0.17 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1h0m h ARG 206 CO -0.19 -0.20 -0.24 0.28 -1.51 0.00 0.00 179.97 178.11 1h0m h VAL 207 N -0.31 0.41 -0.88 0.20 2.07 -0.07 -2.88 116.25 114.80 1h0m h VAL 207 Ca 0.13 -0.39 0.22 0.00 0.82 0.00 0.00 66.70 67.48 1h0m h VAL 207 Cb 0.51 0.56 -0.16 0.00 -1.52 0.00 0.00 31.29 30.68 1h0m h VAL 207 CO -0.40 0.05 0.04 0.11 0.02 0.00 0.00 177.57 177.40 1h0m h LYS 208 N -0.93 0.08 -0.20 1.57 1.79 -0.87 -1.77 116.57 116.24 1h0m h LYS 208 Ca -0.07 -0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.22 1h0m h LYS 208 Cb 0.60 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1h0m h LYS 208 CO 0.11 0.05 -0.57 -0.07 -1.08 0.00 0.00 179.45 177.89 1h0m h LEU 209 N 0.08 0.86 -1.34 2.94 3.38 -1.44 -2.00 115.31 117.79 1h0m h LEU 209 Ca 0.51 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1h0m h LEU 209 Cb 0.99 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1h0m h LEU 209 CO -0.78 1.29 0.25 0.08 0.09 0.00 0.00 178.44 179.36 1h0m h ARG 210 N 0.47 0.69 -0.11 1.13 0.11 -1.20 -2.18 114.38 113.30 1h0m h ARG 210 Ca -0.01 -0.08 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 1h0m h ARG 210 Cb 1.19 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 32.13 1h0m h ARG 210 CO 0.12 0.54 0.00 0.93 0.10 0.00 0.00 179.97 181.66 1h0m h GLU 211 N 0.70 0.20 -0.98 0.08 5.08 -1.27 0.48 114.58 118.86 1h0m h GLU 211 Ca 0.18 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1h0m h GLU 211 Cb 0.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1h0m h GLU 211 CO -0.02 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.42 1h0m n ALA 212 N -2.29 1.14 0.00 3.43 0.00 -0.76 -0.94 120.51 121.10 1h0m n ALA 212 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1h0m n ALA 212 Cb 0.19 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.71 0.00 -0.32 0.00 4.81 0.17 -2.39 118.16 121.14 1h0m n LYS 214 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1h0m n LYS 214 Cb 0.00 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.18 1h0m n LYS 214 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1h0m n ARG 215 N 0.00 -0.08 0.02 1.64 0.63 -0.11 0.17 116.66 118.93 1h0m n ARG 215 Ca 0.00 1.37 0.11 0.00 -0.92 0.00 0.00 57.85 58.41 1h0m n ARG 215 Cb 0.00 -2.05 0.06 0.00 0.45 0.00 0.00 32.46 30.92 1h0m n ARG 215 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1h0m n PHE 216 N -5.43 0.16 -2.90 -0.14 3.01 -1.00 -5.00 117.46 106.15 1h0m n PHE 216 Ca 0.14 0.05 -0.07 0.00 1.01 0.00 0.00 57.45 58.57 1h0m n PHE 216 Cb 0.45 -0.32 0.03 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.77 -6.31 -4.14 4.37 2.03 0.13 -5.05 116.55 105.81 1h0m n ASP 217 Ca 0.03 -0.38 -0.19 0.00 0.52 0.00 0.00 54.79 54.77 1h0m n ASP 217 Cb 0.39 -4.53 -0.13 0.00 -0.72 0.00 0.00 41.12 36.13 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 -3.19 1.05 -2.33 5.18 -7.23 -1.26 -5.04 120.40 107.58 1h0m s VAL 218 Ca 0.23 -1.01 0.27 0.00 -1.81 0.00 0.00 61.98 59.65 1h0m s VAL 218 Cb -0.03 -0.97 0.40 0.00 0.56 0.00 0.00 36.38 36.34 1h0m s VAL 218 CO 0.63 -0.04 1.60 0.54 -0.31 0.00 0.00 175.10 177.51 1h0m n ARG 219 N 1.84 1.50 -3.83 4.82 3.00 -1.26 -4.70 116.66 118.03 1h0m n ARG 219 Ca -0.18 -0.96 -0.11 0.00 -0.01 0.00 0.00 57.85 56.58 1h0m n ARG 219 Cb 0.55 -1.48 -0.09 0.00 0.00 0.00 0.00 32.46 31.44 1h0m n ARG 219 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1h0m s SER 220 N -2.16 -0.03 0.21 0.55 1.04 -1.26 -5.03 113.70 107.02 1h0m s SER 220 Ca 0.32 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.45 1h0m s SER 220 Cb 0.20 0.28 0.27 0.00 0.10 0.00 0.00 66.02 66.87 1h0m s SER 220 CO 0.39 -0.49 1.79 0.11 0.98 0.00 0.00 173.24 176.03 1h0m h LYS 221 N 3.73 0.62 -0.84 4.02 1.79 -1.99 -0.45 116.57 123.46 1h0m h LYS 221 Ca -0.31 -0.04 0.17 0.00 -2.18 0.00 0.00 60.65 58.29 1h0m h LYS 221 Cb 1.19 -0.14 -0.11 0.00 -1.58 0.00 0.00 32.23 31.59 1h0m h LYS 221 CO 0.44 0.41 0.37 0.00 -1.08 0.00 0.00 179.45 179.60 1h0m h ALA 222 N 1.38 1.26 0.01 3.86 0.00 -1.98 0.70 119.26 124.49 1h0m h ALA 222 Ca 0.32 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1h0m h ALA 222 Cb 0.26 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1h0m h ALA 222 CO -0.22 -0.22 -0.00 1.25 0.00 0.00 0.00 179.25 180.06 1h0m h HIS 223 N 0.48 -0.01 -0.80 0.00 -0.00 -1.54 0.31 115.15 113.60 1h0m h HIS 223 Ca 0.48 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.93 1h0m h HIS 223 Cb 0.79 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.14 1h0m h HIS 223 CO -0.14 0.27 0.46 1.25 -0.00 0.00 0.00 177.93 179.77 1h0m h LEU 224 N -0.29 0.67 0.07 0.26 5.85 0.01 0.29 115.31 122.18 1h0m h LEU 224 Ca -0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1h0m h LEU 224 Cb 0.28 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1h0m h LEU 224 CO 0.00 0.40 -0.04 0.74 -0.34 0.00 0.00 178.44 179.21 1h0m h THR 225 N 0.80 1.05 0.31 1.05 2.02 0.62 0.38 112.91 119.14 1h0m h THR 225 Ca 0.37 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1h0m h THR 225 Cb 0.30 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1h0m h THR 225 CO -0.22 0.11 -0.32 0.00 0.37 0.00 0.00 175.52 175.45 1h0m h ALA 226 N 0.62 -0.68 -0.13 6.16 0.00 0.08 0.38 119.26 125.69 1h0m h ALA 226 Ca -0.01 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1h0m h ALA 226 Cb 0.25 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1h0m h ALA 226 CO 0.02 -0.92 -0.29 1.25 0.00 0.00 0.00 179.25 179.31 1h0m h LEU 227 N -0.67 -0.90 -0.80 0.00 7.12 -0.39 0.16 115.31 119.83 1h0m h LEU 227 Ca -0.01 0.14 0.03 0.00 0.13 0.00 0.00 57.88 58.16 1h0m h LEU 227 Cb 0.61 0.39 -0.05 0.00 -0.53 0.00 0.00 40.66 41.08 1h0m h LEU 227 CO -0.07 -0.34 0.51 0.00 -0.13 0.00 0.00 178.44 178.41 1h0m h ALA 228 N 0.50 1.05 -0.02 1.25 0.00 -0.02 -1.49 119.26 120.54 1h0m h ALA 228 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1h0m h ALA 228 Cb 0.52 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h0m h ALA 228 CO -0.33 0.33 -0.00 0.82 0.00 0.00 0.00 179.25 180.06 1h0m h ILE 229 N 1.00 1.28 -0.60 0.00 2.04 -0.34 0.28 117.51 121.16 1h0m h ILE 229 Ca 0.32 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.39 1h0m h ILE 229 Cb 0.01 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1h0m h ILE 229 CO -0.11 0.22 0.40 0.03 0.00 0.00 0.00 178.15 178.69 1h0m h ARG 230 N -0.32 0.63 -0.82 2.37 3.08 -0.49 -1.30 114.38 117.53 1h0m h ARG 230 Ca 0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1h0m h ARG 230 Cb 0.36 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1h0m h ARG 230 CO 0.00 0.41 0.06 0.54 -1.07 0.00 0.00 179.97 179.91 1h0m n ARG 231 N -4.47 2.76 -4.18 0.04 1.74 -0.58 -4.89 116.66 107.07 1h0m n ARG 231 Ca 0.08 -1.59 -0.33 0.00 -0.77 0.00 0.00 57.85 55.24 1h0m n ARG 231 Cb 0.19 -1.84 -0.04 0.00 -1.02 0.00 0.00 32.46 29.75 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 0.21 -2.82 -0.04 5.56 5.02 -0.49 -4.45 118.16 121.15 1h0m n LYS 232 Ca 0.17 0.34 -0.13 0.00 -2.02 0.00 0.00 58.31 56.67 1h0m n LYS 232 Cb 0.79 -4.77 -0.14 0.00 -0.02 0.00 0.00 35.03 30.90 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 -4.39 1.37 0.00 -0.35 4.77 0.08 -4.97 117.00 113.51 1h0m n LEU 233 Ca -0.07 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1h0m n LEU 233 Cb 0.56 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1h0m n LEU 233 CO 0.84 0.58 0.15 2.30 -1.33 0.00 0.00 177.39 179.93