#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rut s TRP 20 N 0.00 2.39 0.57 7.33 0.23 -1.26 -5.02 118.94 123.18 1rut s TRP 20 Ca 0.00 1.48 -0.17 0.00 -2.03 0.00 0.00 56.10 55.38 1rut s TRP 20 Cb 0.00 -3.57 -0.05 0.00 0.03 0.00 0.00 33.47 29.88 1rut s TRP 20 CO 0.00 -2.37 1.06 0.15 0.96 0.00 0.00 176.95 176.75 1rut s LYS 21 N -3.15 3.39 -0.01 4.98 -0.14 -1.26 -4.83 119.74 118.71 1rut s LYS 21 Ca 0.75 1.29 -0.04 0.00 -1.36 0.00 0.00 55.97 56.61 1rut s LYS 21 Cb -0.33 -2.04 -0.04 0.00 -1.68 0.00 0.00 37.83 33.74 1rut s LYS 21 CO 0.38 -0.77 0.20 1.03 -0.76 0.00 0.00 175.35 175.43 1rut s ARG 22 N -3.83 3.47 -0.05 1.68 0.52 -1.26 -0.56 118.95 118.92 1rut s ARG 22 Ca 0.65 -0.26 -0.27 0.00 -0.52 0.00 0.00 55.73 55.34 1rut s ARG 22 Cb -0.17 -3.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 1rut s ARG 22 CO 0.33 0.67 0.84 0.00 0.02 0.00 0.00 175.30 177.16 1rut h ALA 24 N 6.84 1.00 0.21 0.00 0.00 -1.57 0.11 119.26 125.86 1rut h ALA 24 Ca -0.39 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.19 1rut h ALA 24 Cb 1.20 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.01 1rut h ALA 24 CO 0.76 0.00 -1.53 0.78 0.00 0.00 0.00 179.25 179.26 1rut h GLY 25 N 1.94 0.51 0.00 0.00 0.00 -1.82 -3.41 103.07 100.29 1rut h GLY 25 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 47.33 46.04 1rut h GLY 25 CO 0.00 1.13 0.00 0.00 0.00 0.00 0.00 176.54 177.67 1rut n GLY 27 N 0.85 1.98 3.88 0.00 0.00 0.40 -5.00 105.19 107.30 1rut n GLY 27 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1rut n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rut s GLY 28 N -2.00 1.76 0.47 -0.02 0.00 -1.26 -4.57 107.32 101.71 1rut s GLY 28 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 44.72 44.20 1rut s GLY 28 CO 0.00 -0.09 1.30 0.54 0.00 0.00 0.00 173.10 174.86 1rut s LYS 29 N -4.32 3.58 -0.47 2.90 1.02 -1.26 -1.04 119.74 120.16 1rut s LYS 29 Ca 0.51 2.12 -0.13 0.00 0.02 0.00 0.00 55.97 58.49 1rut s LYS 29 Cb -0.10 -2.48 0.10 0.00 -0.52 0.00 0.00 37.83 34.83 1rut s LYS 29 CO 0.38 -0.80 0.37 0.42 -0.92 0.00 0.00 175.35 174.81 1rut s ILE 30 N -1.34 4.73 -2.61 2.17 1.01 0.28 -4.86 121.20 120.59 1rut s ILE 30 Ca 0.64 -1.42 0.25 0.00 0.00 0.00 0.00 60.65 60.12 1rut s ILE 30 Cb -0.37 -3.96 0.21 0.00 0.01 0.00 0.00 42.46 38.35 1rut s ILE 30 CO 0.46 -0.67 1.32 0.00 0.00 0.00 0.00 174.94 176.05 1rut n ALA 31 N 5.07 2.77 -1.76 9.38 0.00 -1.26 -4.49 120.51 130.22 1rut n ALA 31 Ca -0.11 -0.62 -0.38 0.00 0.00 0.00 0.00 53.44 52.33 1rut n ALA 31 Cb 0.42 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 19.00 1rut n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rut s ASP 32 N -2.14 5.61 0.30 0.00 1.11 -1.26 -4.93 116.67 115.36 1rut s ASP 32 Ca 0.27 2.54 -0.00 0.00 0.18 0.00 0.00 52.55 55.55 1rut s ASP 32 Cb 0.20 -2.62 0.47 0.00 1.07 0.00 0.00 42.92 42.04 1rut s ASP 32 CO 0.38 -1.32 1.88 -0.09 1.18 0.00 0.00 175.17 177.20 1rut h ARG 33 N 1.62 0.81 -6.31 8.23 2.43 -1.94 -3.41 114.38 115.82 1rut h ARG 33 Ca -0.50 -0.13 -0.65 0.00 -0.81 0.00 0.00 59.98 57.89 1rut h ARG 33 Cb 1.28 -0.14 -0.29 0.00 -0.42 0.00 0.00 29.97 30.40 1rut h ARG 33 CO 0.58 0.69 -0.87 -0.06 -1.51 0.00 0.00 179.97 178.80 1rut s PHE 34 N -5.33 2.08 0.36 2.20 0.08 -1.26 0.59 117.98 116.69 1rut s PHE 34 Ca -0.10 -0.39 -0.05 0.00 0.12 0.00 0.00 56.93 56.51 1rut s PHE 34 Cb 0.16 -1.32 0.01 0.00 -0.57 0.00 0.00 43.02 41.30 1rut s PHE 34 CO 0.79 -0.01 0.54 -0.48 -0.10 0.00 0.00 175.22 175.96 1rut s LEU 35 N -0.64 0.84 0.14 -0.37 2.34 -0.30 -4.70 118.68 115.99 1rut s LEU 35 Ca 0.09 -1.45 0.10 0.00 0.06 0.00 0.00 54.13 52.93 1rut s LEU 35 Cb -0.09 1.75 -0.04 0.00 -0.56 0.00 0.00 46.19 47.25 1rut s LEU 35 CO -0.00 -1.39 -0.24 -0.76 -1.06 0.00 0.00 176.35 172.90 1rut s LEU 36 N -3.22 2.35 -0.10 1.48 1.43 -0.52 -0.97 118.68 119.14 1rut s LEU 36 Ca 0.28 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1rut s LEU 36 Cb -0.01 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.14 1rut s LEU 36 CO 0.19 0.11 -0.20 -0.47 0.23 0.00 0.00 176.35 176.22 1rut s TYR 37 N -1.32 2.23 -0.21 0.29 5.04 -0.02 -0.95 117.35 122.41 1rut s TYR 37 Ca 0.13 -0.95 -0.27 0.00 -2.44 0.00 0.00 57.07 53.54 1rut s TYR 37 Cb -0.09 -1.53 0.09 0.00 0.35 0.00 0.00 41.96 40.78 1rut s TYR 37 CO 0.06 -0.42 0.85 0.00 -1.34 0.00 0.00 175.55 174.70 1rut s ALA 38 N 0.58 -1.86 -1.47 3.97 0.00 -0.26 -0.80 121.76 121.91 1rut s ALA 38 Ca -0.15 1.76 -0.10 0.00 0.00 0.00 0.00 51.96 53.48 1rut s ALA 38 Cb -0.17 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.08 1rut s ALA 38 CO 0.05 -0.31 0.90 -1.33 0.00 0.00 0.00 175.76 175.07 1rut n MET 39 N 1.86 -5.33 -0.91 0.00 2.81 -1.26 -1.41 117.12 112.87 1rut n MET 39 Ca -0.14 0.60 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 1rut n MET 39 Cb 0.56 -5.39 0.00 0.00 -0.71 0.00 0.00 33.22 27.69 1rut n MET 39 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1rut n ASP 40 N -2.90 -2.83 -4.27 7.83 8.00 -1.26 -4.97 116.55 116.15 1rut n ASP 40 Ca -0.06 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.28 1rut n ASP 40 Cb 0.57 -1.67 -0.10 0.00 -0.02 0.00 0.00 41.12 39.90 1rut n ASP 40 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1rut s SER 41 N -2.19 2.06 0.20 -2.24 0.01 -0.50 -5.15 113.70 105.90 1rut s SER 41 Ca 0.00 -0.93 -0.05 0.00 1.31 0.00 0.00 55.95 56.29 1rut s SER 41 Cb 0.00 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 1rut s SER 41 CO 0.00 -0.21 0.45 -0.31 0.41 0.00 0.00 173.24 173.58 1rut s TYR 42 N -2.73 3.47 -0.08 2.43 1.51 -1.26 -1.10 117.35 119.59 1rut s TYR 42 Ca 0.15 0.58 -0.07 0.00 -1.01 0.00 0.00 57.07 56.71 1rut s TYR 42 Cb -0.01 -2.04 0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1rut s TYR 42 CO 0.03 0.33 0.21 -1.58 -1.11 0.00 0.00 175.55 173.43 1rut s TRP 43 N -1.83 -0.23 0.37 2.71 0.52 -0.13 -1.37 118.94 118.97 1rut s TRP 43 Ca 0.42 0.56 -0.28 0.00 0.02 0.00 0.00 56.10 56.82 1rut s TRP 43 Cb -0.11 0.08 -0.11 0.00 -1.15 0.00 0.00 33.47 32.17 1rut s TRP 43 CO 0.26 -0.11 1.50 -1.01 0.02 0.00 0.00 176.95 177.61 1rut s HIS 44 N 0.14 2.60 0.23 -1.98 3.76 -1.26 -1.44 115.29 117.35 1rut s HIS 44 Ca -0.00 1.13 -0.06 0.00 -0.15 0.00 0.00 55.06 55.98 1rut s HIS 44 Cb -0.02 -4.03 0.32 0.00 1.11 0.00 0.00 32.58 29.96 1rut s HIS 44 CO 0.00 -3.05 1.84 1.03 -0.85 0.00 0.00 174.74 173.71 1rut h SER 45 N 3.18 0.76 0.00 1.40 0.87 -1.92 -0.36 113.55 117.49 1rut h SER 45 Ca -0.50 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1rut h SER 45 Cb 1.24 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1rut h SER 45 CO 0.66 0.48 0.01 0.08 -0.53 0.00 0.00 176.83 177.52 1rut h ARG 46 N 0.89 0.00 0.00 2.24 0.11 -1.98 -2.20 114.38 113.44 1rut h ARG 46 Ca 0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.44 1rut h ARG 46 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1rut h ARG 46 CO -0.18 0.00 -0.60 0.00 0.10 0.00 0.00 179.97 179.29 1rut s LEU 48 N -3.04 6.16 0.07 0.00 2.96 -0.83 -4.60 118.68 119.40 1rut s LEU 48 Ca 0.10 -2.08 0.06 0.00 -0.22 0.00 0.00 54.13 51.99 1rut s LEU 48 Cb 0.17 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1rut s LEU 48 CO 0.73 -0.73 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.34 1rut s LYS 49 N 1.13 0.87 0.19 1.98 1.02 -1.26 -2.12 119.74 121.56 1rut s LYS 49 Ca 0.08 -0.98 -0.31 0.00 0.02 0.00 0.00 55.97 54.78 1rut s LYS 49 Cb -0.24 -0.92 -0.10 0.00 -0.52 0.00 0.00 37.83 36.04 1rut s LYS 49 CO -0.01 0.21 1.56 0.00 -0.92 0.00 0.00 175.35 176.19 1rut h SER 51 N 6.39 0.70 0.00 0.00 0.02 -1.00 -0.40 113.55 119.26 1rut h SER 51 Ca -0.43 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 1rut h SER 51 Cb 1.21 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1rut h SER 51 CO 0.89 0.47 -0.37 -1.28 -1.14 0.00 0.00 176.83 175.40 1rut h SER 52 N 0.80 0.00 -0.01 3.07 0.87 -1.91 -3.42 113.55 112.96 1rut h SER 52 Ca 0.29 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1rut h SER 52 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1rut h SER 52 CO -0.09 1.00 -0.29 0.00 -0.53 0.00 0.00 176.83 176.93 1rut n GLN 54 N -0.38 -1.01 -1.74 0.00 1.13 -0.16 -4.95 117.38 110.27 1rut n GLN 54 Ca 0.04 0.43 -0.39 0.00 -1.94 0.00 0.00 57.00 55.14 1rut n GLN 54 Cb 0.23 -4.28 0.03 0.00 0.11 0.00 0.00 30.24 26.34 1rut n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rut n ALA 55 N 1.05 1.68 -2.66 -1.58 0.00 -1.26 -4.47 120.51 113.28 1rut n ALA 55 Ca -0.03 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 1rut n ALA 55 Cb 0.30 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 1rut n ALA 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1rut s GLN 56 N -2.71 3.23 0.35 0.00 0.74 -1.26 -1.22 119.66 118.79 1rut s GLN 56 Ca 0.68 -0.60 0.05 0.00 0.05 0.00 0.00 55.36 55.54 1rut s GLN 56 Cb -0.43 -4.37 0.71 0.00 1.10 0.00 0.00 33.01 30.02 1rut s GLN 56 CO 0.52 -2.04 1.93 -0.07 -0.55 0.00 0.00 175.29 175.08 1rut h LEU 57 N 12.37 0.71 -1.03 3.68 3.38 -1.72 -1.35 115.31 131.35 1rut h LEU 57 Ca -0.20 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1rut h LEU 57 Cb 1.05 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1rut h LEU 57 CO 1.26 0.44 0.00 1.23 0.09 0.00 0.00 178.44 181.46 1rut h GLY 58 N 0.80 0.00 0.07 0.83 0.00 -1.81 -2.91 103.07 100.06 1rut h GLY 58 Ca 0.36 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.31 1rut h GLY 58 CO -0.14 0.00 -2.40 1.22 0.00 0.00 0.00 176.54 175.22 1rut n ASP 59 N -2.68 1.48 0.15 0.19 8.00 -0.58 -4.60 116.55 118.49 1rut n ASP 59 Ca 0.02 -0.06 0.01 0.00 0.71 0.00 0.00 54.79 55.47 1rut n ASP 59 Cb 0.28 -0.09 0.15 0.00 -0.02 0.00 0.00 41.12 41.45 1rut n ASP 59 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1rut h ILE 60 N 0.01 1.12 -1.67 0.53 3.07 -1.33 -3.48 117.51 115.75 1rut h ILE 60 Ca -0.55 -2.13 0.00 0.00 1.55 0.00 0.00 64.86 63.73 1rut h ILE 60 Cb 2.00 2.25 0.00 0.00 -0.27 0.00 0.00 36.82 40.79 1rut h ILE 60 CO -0.04 0.55 0.00 0.61 -1.05 0.00 0.00 178.15 178.21 1rut n GLY 61 N 0.67 2.41 0.49 0.16 0.00 -1.10 -5.07 105.19 102.75 1rut n GLY 61 Ca 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.14 1rut n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rut n THR 62 N 0.00 0.00 -3.89 2.61 -2.24 -1.26 -4.58 114.28 104.92 1rut n THR 62 Ca 0.00 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1rut n THR 62 Cb 0.00 1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.45 1rut n THR 62 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rut s SER 63 N -1.44 -0.19 0.34 3.42 1.04 -1.26 -1.20 113.70 114.41 1rut s SER 63 Ca 0.15 -0.71 0.06 0.00 0.48 0.00 0.00 55.95 55.93 1rut s SER 63 Cb 0.12 0.63 -0.07 0.00 0.10 0.00 0.00 66.02 66.80 1rut s SER 63 CO 0.26 -1.18 -0.01 -0.94 0.98 0.00 0.00 173.24 172.34 1rut s SER 64 N -2.95 3.14 -0.06 7.02 1.04 -0.20 -4.69 113.70 117.01 1rut s SER 64 Ca 0.15 -1.29 0.03 0.00 0.48 0.00 0.00 55.95 55.33 1rut s SER 64 Cb -0.02 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1rut s SER 64 CO 0.05 -0.42 -0.16 -0.31 0.98 0.00 0.00 173.24 173.38 1rut s TYR 65 N -2.93 1.73 -0.19 5.02 1.51 -0.02 -0.13 117.35 122.33 1rut s TYR 65 Ca 0.33 -0.58 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 1rut s TYR 65 Cb 0.07 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1rut s TYR 65 CO 0.15 -0.24 0.00 0.95 -1.11 0.00 0.00 175.55 175.31 1rut s THR 66 N 0.31 4.08 -0.28 -0.71 -4.23 -0.40 -0.24 115.64 114.17 1rut s THR 66 Ca -0.10 -0.28 -0.24 0.00 -1.18 0.00 0.00 61.69 59.89 1rut s THR 66 Cb -0.14 -2.83 0.10 0.00 1.34 0.00 0.00 72.50 70.97 1rut s THR 66 CO 0.04 0.45 0.88 -0.75 -0.54 0.00 0.00 174.62 174.69 1rut s LYS 67 N 0.75 0.65 -1.47 3.99 2.20 -0.97 -4.76 119.74 120.14 1rut s LYS 67 Ca 0.00 0.81 -0.11 0.00 -0.36 0.00 0.00 55.97 56.31 1rut s LYS 67 Cb -0.14 0.30 0.06 0.00 -1.51 0.00 0.00 37.83 36.54 1rut s LYS 67 CO 0.02 -0.08 0.82 0.43 -0.36 0.00 0.00 175.35 176.17 1rut n SER 68 N 2.59 -5.01 0.00 1.43 7.64 -1.26 -1.24 113.62 117.77 1rut n SER 68 Ca -0.14 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1rut n SER 68 Cb 0.56 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.73 1rut n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rut n GLY 69 N -1.57 1.13 3.80 0.23 0.00 -1.26 -5.03 105.19 102.49 1rut n GLY 69 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1rut n GLY 69 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rut s MET 70 N -0.17 2.86 -0.20 1.61 -1.94 -0.37 -5.11 119.30 115.98 1rut s MET 70 Ca 0.00 -1.02 0.01 0.00 -1.71 0.00 0.00 55.69 52.97 1rut s MET 70 Cb 0.00 -2.56 0.03 0.00 2.01 0.00 0.00 34.83 34.31 1rut s MET 70 CO 0.00 0.43 -0.18 0.42 -0.01 0.00 0.00 175.02 175.68 1rut s ILE 71 N -2.01 2.11 0.09 2.53 1.01 -1.26 -2.29 121.20 121.39 1rut s ILE 71 Ca 0.32 -1.06 0.09 0.00 0.00 0.00 0.00 60.65 59.99 1rut s ILE 71 Cb -0.09 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 1rut s ILE 71 CO 0.24 0.43 -0.22 -0.76 0.00 0.00 0.00 174.94 174.62 1rut s LEU 72 N 1.26 2.27 0.85 2.97 1.43 0.66 -0.27 118.68 127.85 1rut s LEU 72 Ca 0.02 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 1rut s LEU 72 Cb -0.14 -0.98 0.10 0.00 0.03 0.00 0.00 46.19 45.20 1rut s LEU 72 CO -0.11 0.11 1.09 0.00 0.23 0.00 0.00 176.35 177.67 1rut h ARG 74 N -1.40 0.70 -0.75 0.00 2.43 -1.95 -0.61 114.38 112.80 1rut h ARG 74 Ca -0.47 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 1rut h ARG 74 Cb 1.26 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1rut h ARG 74 CO 0.53 0.46 0.40 -0.91 -1.51 0.00 0.00 179.97 178.94 1rut h ASN 75 N 0.72 0.95 0.89 -3.80 -0.26 -1.99 -0.37 115.58 111.71 1rut h ASN 75 Ca 0.29 -0.11 -0.15 0.00 -0.56 0.00 0.00 56.30 55.77 1rut h ASN 75 Cb 0.14 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1rut h ASN 75 CO -0.16 0.78 -0.74 0.44 -1.06 0.00 0.00 177.43 176.70 1rut h ASP 76 N 1.04 0.00 -0.23 5.81 3.32 -1.87 -0.90 116.42 123.59 1rut h ASP 76 Ca 0.26 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1rut h ASP 76 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1rut h ASP 76 CO -0.04 0.74 0.12 0.22 -1.72 0.00 0.00 179.24 178.56 1rut h TYR 77 N 0.00 0.33 -0.34 4.55 3.20 -0.68 0.13 116.97 124.16 1rut h TYR 77 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1rut h TYR 77 Cb 1.38 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 1rut h TYR 77 CO 0.00 0.30 0.22 0.82 -1.64 0.00 0.00 178.16 177.87 1rut h ILE 78 N 0.26 1.09 -0.51 1.81 2.04 -0.97 0.52 117.51 121.74 1rut h ILE 78 Ca 0.08 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1rut h ILE 78 Cb 0.09 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1rut h ILE 78 CO -0.01 0.08 0.19 -0.09 0.00 0.00 0.00 178.15 178.33 1rut h ARG 79 N 0.46 0.76 0.00 2.37 2.43 -0.96 0.14 114.38 119.58 1rut h ARG 79 Ca 0.12 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 1rut h ARG 79 Cb -0.05 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1rut h ARG 79 CO -0.03 0.68 -1.07 -0.07 -1.51 0.00 0.00 179.97 177.97 1rut h LEU 80 N 0.68 0.00 0.00 3.80 3.38 -0.87 -3.41 115.31 118.89 1rut h LEU 80 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1rut h LEU 80 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1rut h LEU 80 CO -0.01 0.65 -0.11 0.49 0.09 0.00 0.00 178.44 179.55 1rut n PHE 81 N -3.09 0.00 -1.38 1.13 3.72 0.16 -5.08 117.46 112.93 1rut n PHE 81 Ca -0.05 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.05 1rut n PHE 81 Cb 0.84 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.49 1rut n PHE 81 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1rut s GLY 82 N -0.64 1.63 -0.64 1.37 0.00 0.49 -4.95 107.32 104.58 1rut s GLY 82 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.38 1rut s GLY 82 CO 0.00 0.36 1.27 -1.31 0.00 0.00 0.00 173.10 173.42 1rut s ASN 83 N -3.64 6.27 0.73 1.64 0.01 -1.26 -4.80 114.94 113.89 1rut s ASN 83 Ca 0.62 -0.08 -0.11 0.00 -0.71 0.00 0.00 52.86 52.57 1rut s ASN 83 Cb -0.16 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 38.97 1rut s ASN 83 CO 0.56 -1.67 1.09 -0.94 -1.51 0.00 0.00 177.10 174.63 1rut s SER 84 N 3.55 5.17 0.00 -1.22 1.04 -1.26 -3.39 113.70 117.59 1rut s SER 84 Ca 0.41 1.21 0.00 0.00 0.48 0.00 0.00 55.95 58.06 1rut s SER 84 Cb -0.08 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1rut s SER 84 CO 0.21 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 173.52 1rut n GLY 85 N -2.68 5.48 3.35 7.32 0.00 -0.48 -4.92 105.19 113.25 1rut n GLY 85 Ca 0.07 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 1rut n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rut s ALA 86 N -2.00 -1.12 -0.08 4.61 0.00 -1.26 -1.21 121.76 120.69 1rut s ALA 86 Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 1rut s ALA 86 Cb 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 1rut s ALA 86 CO 0.00 -0.25 1.10 0.00 0.00 0.00 0.00 175.76 176.61 1rut h SER 88 N 7.27 0.00 0.00 0.00 0.02 -1.54 0.82 113.55 120.11 1rut h SER 88 Ca -0.32 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1rut h SER 88 Cb 1.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 1rut h SER 88 CO 0.87 0.03 -0.06 0.00 -1.14 0.00 0.00 176.83 176.53 1rut h ALA 89 N 1.97 0.01 -0.00 3.77 0.00 -1.91 -3.41 119.26 119.69 1rut h ALA 89 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rut h ALA 89 Cb 0.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rut h ALA 89 CO 0.00 0.05 -0.81 0.00 0.00 0.00 0.00 179.25 178.49 1rut n GLY 91 N 1.44 2.37 3.86 0.00 0.00 0.28 -5.01 105.19 108.14 1rut n GLY 91 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1rut n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rut s GLN 92 N -0.04 3.88 0.63 1.61 -1.52 -1.26 -4.57 119.66 118.39 1rut s GLN 92 Ca 0.00 0.58 -0.19 0.00 -1.95 0.00 0.00 55.36 53.80 1rut s GLN 92 Cb 0.00 -2.39 -0.02 0.00 -0.22 0.00 0.00 33.01 30.39 1rut s GLN 92 CO 0.00 0.02 1.31 -1.54 -0.25 0.00 0.00 175.29 174.83 1rut s SER 93 N -2.81 4.68 -0.16 5.90 1.04 -1.26 -1.31 113.70 119.76 1rut s SER 93 Ca 0.53 2.66 0.01 0.00 0.48 0.00 0.00 55.95 59.63 1rut s SER 93 Cb -0.10 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.42 1rut s SER 93 CO 0.26 -1.96 -0.14 -0.63 0.98 0.00 0.00 173.24 171.75 1rut s ILE 94 N -1.37 1.64 0.63 -1.02 1.01 -0.35 -4.79 121.20 116.96 1rut s ILE 94 Ca 0.81 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 60.51 1rut s ILE 94 Cb -0.38 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1rut s ILE 94 CO 0.41 0.39 1.30 -2.65 0.00 0.00 0.00 174.94 174.39 1rut n PRO 95 N 4.73 1.20 -0.14 2.79 -0.02 -1.26 -1.39 135.00 140.92 1rut n PRO 95 Ca -0.17 0.46 0.27 0.00 -2.02 0.00 0.00 63.50 62.05 1rut n PRO 95 Cb 0.49 -2.53 0.72 0.00 -0.02 0.00 0.00 33.50 32.16 1rut n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rut h ALA 96 N 0.67 2.77 0.00 3.55 0.00 -1.86 -1.81 119.26 122.58 1rut h ALA 96 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1rut h ALA 96 Cb 1.34 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1rut h ALA 96 CO 0.54 -1.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.65 1rut n SER 97 N -4.29 0.10 -4.81 0.00 3.41 -1.26 -1.26 113.62 105.51 1rut n SER 97 Ca 0.17 0.51 -0.38 0.00 -0.26 0.00 0.00 58.87 58.90 1rut n SER 97 Cb 0.88 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 1rut n SER 97 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1rut s GLU 98 N -3.02 4.13 0.31 4.33 2.12 -0.68 -4.84 118.70 121.06 1rut s GLU 98 Ca 0.12 0.63 -0.29 0.00 0.36 0.00 0.00 54.97 55.79 1rut s GLU 98 Cb 0.17 -3.25 -0.10 0.00 0.26 0.00 0.00 34.13 31.20 1rut s GLU 98 CO 0.49 0.61 1.20 -0.51 -0.54 0.00 0.00 175.26 176.52 1rut s LEU 99 N -0.93 4.48 0.13 2.70 1.43 -1.26 -1.09 118.68 124.14 1rut s LEU 99 Ca 0.27 2.48 0.04 0.00 -1.03 0.00 0.00 54.13 55.90 1rut s LEU 99 Cb -0.18 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 1rut s LEU 99 CO 0.17 -0.35 -0.10 0.68 0.23 0.00 0.00 176.35 176.97 1rut s VAL 100 N -1.16 1.11 0.17 -1.59 -7.23 0.45 -4.51 120.40 107.66 1rut s VAL 100 Ca 0.47 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 1rut s VAL 100 Cb -0.36 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 1rut s VAL 100 CO 0.47 -0.68 0.33 -0.04 -0.31 0.00 0.00 175.10 174.87 1rut s MET 101 N -3.45 3.47 0.03 4.82 -1.94 -0.48 -1.90 119.30 119.85 1rut s MET 101 Ca 0.13 -0.49 0.06 0.00 -1.71 0.00 0.00 55.69 53.68 1rut s MET 101 Cb 0.01 -2.91 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 1rut s MET 101 CO 0.00 0.47 -0.19 1.03 -0.01 0.00 0.00 175.02 176.33 1rut s ARG 102 N -3.27 1.29 -0.28 2.03 0.52 -1.26 -0.86 118.95 117.11 1rut s ARG 102 Ca 0.36 -0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 54.56 1rut s ARG 102 Cb -0.11 -1.36 0.09 0.00 0.52 0.00 0.00 34.95 34.09 1rut s ARG 102 CO 0.29 0.35 0.72 0.00 0.02 0.00 0.00 175.30 176.67 1rut s ALA 103 N -0.75 -1.94 -1.55 2.13 0.00 -1.00 -4.76 121.76 113.89 1rut s ALA 103 Ca 0.06 2.40 -0.13 0.00 0.00 0.00 0.00 51.96 54.29 1rut s ALA 103 Cb -0.08 -1.49 0.09 0.00 0.00 0.00 0.00 23.12 21.63 1rut s ALA 103 CO 0.01 -0.43 0.90 1.04 0.00 0.00 0.00 175.76 177.28 1rut n GLN 104 N 4.36 -4.90 -0.81 0.00 1.13 -1.26 -0.96 117.38 114.94 1rut n GLN 104 Ca -0.19 0.54 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 1rut n GLN 104 Cb 0.58 -5.34 0.00 0.00 0.11 0.00 0.00 30.24 25.59 1rut n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rut n GLY 105 N -1.64 0.84 3.82 1.08 0.00 -1.26 -5.03 105.19 103.00 1rut n GLY 105 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1rut n GLY 105 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rut s ASN 106 N -2.79 5.52 0.15 1.61 0.01 -0.14 -5.14 114.94 114.16 1rut s ASN 106 Ca 0.00 -0.22 0.11 0.00 -0.71 0.00 0.00 52.86 52.04 1rut s ASN 106 Cb 0.00 -1.41 -0.04 0.00 0.41 0.00 0.00 41.25 40.21 1rut s ASN 106 CO 0.00 -0.02 -0.26 0.68 -1.51 0.00 0.00 177.10 175.99 1rut s VAL 107 N -2.05 2.28 0.00 1.60 -7.23 -1.26 -2.38 120.40 111.36 1rut s VAL 107 Ca 0.32 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1rut s VAL 107 Cb -0.08 -2.03 -0.00 0.00 0.56 0.00 0.00 36.38 34.82 1rut s VAL 107 CO 0.25 0.03 -0.02 -0.31 -0.31 0.00 0.00 175.10 174.74 1rut s TYR 108 N -1.23 0.17 0.41 2.82 1.51 -0.04 -1.28 117.35 119.72 1rut s TYR 108 Ca 0.16 -0.11 -0.25 0.00 -1.01 0.00 0.00 57.07 55.86 1rut s TYR 108 Cb -0.09 -0.11 -0.11 0.00 -0.11 0.00 0.00 41.96 41.54 1rut s TYR 108 CO 0.07 -0.03 1.04 0.72 -1.11 0.00 0.00 175.55 176.24 1rut n HIS 109 N 2.79 1.28 -0.26 2.71 8.25 -1.26 -1.39 115.22 127.34 1rut n HIS 109 Ca -0.14 0.56 0.04 0.00 -0.26 0.00 0.00 57.72 57.92 1rut n HIS 109 Cb 0.59 -2.25 0.17 0.00 1.12 0.00 0.00 29.99 29.62 1rut n HIS 109 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rut h LEU 110 N 1.63 0.44 0.00 2.41 4.07 -1.94 -1.42 115.31 120.51 1rut h LEU 110 Ca -0.44 0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.59 1rut h LEU 110 Cb 1.33 0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.08 1rut h LEU 110 CO 0.57 0.22 0.00 0.29 -1.08 0.00 0.00 178.44 178.44 1rut n LYS 111 N -4.89 0.03 0.00 1.13 5.02 -1.26 -2.45 118.16 115.73 1rut n LYS 111 Ca 0.13 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 1rut n LYS 111 Cb 0.34 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 34.08 1rut n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rut n PHE 113 N -1.22 4.53 -4.30 0.00 7.35 -0.99 -4.90 117.46 117.93 1rut n PHE 113 Ca 0.07 -3.22 -0.20 0.00 -0.76 0.00 0.00 57.45 53.34 1rut n PHE 113 Cb 0.34 -2.15 -0.11 0.00 0.35 0.00 0.00 39.48 37.91 1rut n PHE 113 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1rut s THR 114 N 1.39 1.63 0.11 -2.13 -4.23 -1.26 -0.85 115.64 110.30 1rut s THR 114 Ca 0.43 -1.88 -0.31 0.00 -1.18 0.00 0.00 61.69 58.74 1rut s THR 114 Cb 0.00 -1.76 -0.08 0.00 1.34 0.00 0.00 72.50 72.00 1rut s THR 114 CO 0.01 -0.39 1.43 0.00 -0.54 0.00 0.00 174.62 175.12 1rut h SER 116 N 6.97 0.00 0.00 0.00 0.02 -0.72 -0.14 113.55 119.68 1rut h SER 116 Ca -0.42 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.47 1rut h SER 116 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1rut h SER 116 CO 0.88 0.08 -0.68 0.74 -1.14 0.00 0.00 176.83 176.71 1rut h THR 117 N 0.00 0.23 0.00 -2.27 2.02 -1.91 -3.43 112.91 107.55 1rut h THR 117 Ca -0.00 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1rut h THR 117 Cb 0.41 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1rut h THR 117 CO 0.01 0.08 -1.21 0.00 0.37 0.00 0.00 175.52 174.77 1rut n ARG 119 N -1.71 -0.13 -1.77 0.00 1.74 -0.07 -4.99 116.66 109.74 1rut n ARG 119 Ca 0.02 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 1rut n ARG 119 Cb 0.39 -3.03 -0.01 0.00 -1.02 0.00 0.00 32.46 28.79 1rut n ARG 119 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1rut s ASN 120 N -2.50 6.34 0.04 0.55 -0.87 -1.26 -4.50 114.94 112.74 1rut s ASN 120 Ca 0.00 3.00 -0.31 0.00 -1.57 0.00 0.00 52.86 53.98 1rut s ASN 120 Cb 0.00 -2.64 -0.06 0.00 -0.02 0.00 0.00 41.25 38.52 1rut s ASN 120 CO 0.00 -0.92 1.36 -0.60 -2.57 0.00 0.00 177.10 174.37 1rut s ARG 121 N -0.89 4.32 0.09 -0.60 3.52 -1.26 -0.55 118.95 123.57 1rut s ARG 121 Ca 0.61 1.97 -0.22 0.00 -0.13 0.00 0.00 55.73 57.96 1rut s ARG 121 Cb -0.48 -3.44 -0.07 0.00 -1.56 0.00 0.00 34.95 29.41 1rut s ARG 121 CO 0.52 -0.48 0.67 -0.51 -0.81 0.00 0.00 175.30 174.69 1rut s LEU 122 N 1.78 4.52 0.23 -0.88 1.43 -0.03 -4.95 118.68 120.80 1rut s LEU 122 Ca 0.63 1.40 0.05 0.00 -1.03 0.00 0.00 54.13 55.18 1rut s LEU 122 Cb -0.33 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 1rut s LEU 122 CO 0.28 0.19 -0.04 0.68 0.23 0.00 0.00 176.35 177.69 1rut s VAL 123 N -0.84 1.29 0.20 -1.59 -7.23 -1.26 -4.91 120.40 106.06 1rut s VAL 123 Ca 0.33 -2.08 -0.32 0.00 -1.81 0.00 0.00 61.98 58.10 1rut s VAL 123 Cb -0.21 -2.29 -0.14 0.00 0.56 0.00 0.00 36.38 34.30 1rut s VAL 123 CO 0.22 -0.39 1.34 -2.65 -0.31 0.00 0.00 175.10 173.31 1rut n PRO 124 N -0.44 1.71 0.00 4.82 -0.02 -1.26 -1.71 135.00 138.10 1rut n PRO 124 Ca -0.06 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1rut n PRO 124 Cb 0.63 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1rut n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rut n GLY 125 N 2.26 2.78 3.76 -1.23 0.00 -0.22 -4.96 105.19 107.58 1rut n GLY 125 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1rut n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rut s ASP 126 N -1.34 5.93 0.17 1.61 1.01 -0.70 -4.67 116.67 118.69 1rut s ASP 126 Ca 0.00 2.54 -0.22 0.00 0.71 0.00 0.00 52.55 55.59 1rut s ASP 126 Cb 0.00 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.23 1rut s ASP 126 CO 0.00 -1.10 0.72 -0.13 0.21 0.00 0.00 175.17 174.87 1rut s ARG 127 N -2.63 4.37 0.18 8.23 0.52 -1.26 -0.90 118.95 127.47 1rut s ARG 127 Ca 0.64 0.97 -0.15 0.00 -0.52 0.00 0.00 55.73 56.67 1rut s ARG 127 Cb -0.35 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.05 1rut s ARG 127 CO 0.43 0.51 0.45 -0.59 0.02 0.00 0.00 175.30 176.12 1rut s PHE 128 N -1.30 0.01 0.18 -0.53 -0.71 -0.20 -2.19 117.98 113.23 1rut s PHE 128 Ca 0.38 -0.36 0.11 0.00 -1.04 0.00 0.00 56.93 56.02 1rut s PHE 128 Cb -0.20 0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.84 1rut s PHE 128 CO 0.23 -0.85 -0.23 -1.01 -1.34 0.00 0.00 175.22 172.02 1rut s HIS 129 N -3.89 2.34 -0.09 3.49 3.76 0.48 -0.37 115.29 121.01 1rut s HIS 129 Ca 0.11 -0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 54.66 1rut s HIS 129 Cb 0.00 -1.19 0.03 0.00 1.11 0.00 0.00 32.58 32.54 1rut s HIS 129 CO -0.03 0.46 0.00 -0.47 -0.85 0.00 0.00 174.74 173.86 1rut s TYR 130 N -1.52 0.73 -0.19 1.40 6.14 -1.26 -0.94 117.35 121.71 1rut s TYR 130 Ca 0.20 -0.26 -0.01 0.00 0.64 0.00 0.00 57.07 57.64 1rut s TYR 130 Cb -0.09 -0.84 0.05 0.00 0.42 0.00 0.00 41.96 41.50 1rut s TYR 130 CO 0.09 -0.36 -0.04 0.42 0.64 0.00 0.00 175.55 176.30 1rut s ILE 131 N 1.95 1.12 -1.44 3.14 1.09 -0.53 -4.88 121.20 121.65 1rut s ILE 131 Ca 0.04 -0.78 -0.05 0.00 -1.10 0.00 0.00 60.65 58.77 1rut s ILE 131 Cb -0.13 -1.38 0.04 0.00 -1.06 0.00 0.00 42.46 39.93 1rut s ILE 131 CO -0.06 0.01 0.65 0.59 -0.10 0.00 0.00 174.94 176.03 1rut n ASN 132 N 4.85 -1.73 0.00 3.58 3.02 -1.26 -1.38 115.26 122.34 1rut n ASN 132 Ca -0.11 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1rut n ASN 132 Cb 0.47 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 1rut n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rut n GLY 133 N -1.74 3.09 3.70 7.41 0.00 -1.26 -5.02 105.19 111.37 1rut n GLY 133 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1rut n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rut s SER 134 N -0.35 7.09 0.06 1.61 0.01 -0.48 -5.04 113.70 116.61 1rut s SER 134 Ca 0.00 1.33 -0.13 0.00 1.31 0.00 0.00 55.95 58.45 1rut s SER 134 Cb 0.00 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.70 1rut s SER 134 CO 0.00 -0.25 0.45 -0.76 0.41 0.00 0.00 173.24 173.09 1rut s LEU 135 N 1.28 4.41 -0.01 2.44 1.43 -1.26 -1.45 118.68 125.51 1rut s LEU 135 Ca 0.42 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 1rut s LEU 135 Cb -0.18 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.17 1rut s LEU 135 CO 0.19 0.23 -0.00 -0.36 0.23 0.00 0.00 176.35 176.63 1rut s PHE 136 N -1.26 0.19 0.95 0.29 0.08 -0.12 0.07 117.98 118.18 1rut s PHE 136 Ca 0.30 0.01 -0.12 0.00 0.12 0.00 0.00 56.93 57.24 1rut s PHE 136 Cb -0.16 -0.24 0.16 0.00 -0.57 0.00 0.00 43.02 42.21 1rut s PHE 136 CO 0.17 -0.06 1.12 0.00 -0.10 0.00 0.00 175.22 176.34 1rut h GLU 138 N -1.65 0.52 -0.26 0.00 4.81 -1.81 -1.55 114.58 114.64 1rut h GLU 138 Ca -0.52 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1rut h GLU 138 Cb 1.33 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1rut h GLU 138 CO 0.60 0.35 0.00 0.72 -0.73 0.00 0.00 179.01 179.95 1rut n HIS 139 N -4.52 0.33 -2.16 0.92 8.25 -1.26 -3.84 115.22 112.94 1rut n HIS 139 Ca 0.17 -0.17 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 1rut n HIS 139 Cb 0.53 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.68 1rut n HIS 139 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1rut n ASP 140 N 0.96 3.98 -4.70 0.41 8.00 -0.59 -5.05 116.55 119.57 1rut n ASP 140 Ca 0.18 -3.39 -0.53 0.00 0.71 0.00 0.00 54.79 51.76 1rut n ASP 140 Cb 0.48 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 1rut n ASP 140 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1rut n ARG 141 N -0.69 1.67 -2.46 -1.24 0.63 -1.20 -4.60 116.66 108.76 1rut n ARG 141 Ca 0.34 0.61 -0.43 0.00 -0.92 0.00 0.00 57.85 57.46 1rut n ARG 141 Cb 0.92 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 31.45 1rut n ARG 141 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1rut n PRO 142 N 6.05 3.19 -0.30 -0.14 -0.04 -1.26 -4.79 135.00 137.71 1rut n PRO 142 Ca 0.25 -3.26 -0.03 0.00 -0.04 0.00 0.00 63.50 60.41 1rut n PRO 142 Cb 0.21 -3.34 0.08 0.00 -0.04 0.00 0.00 33.50 30.42 1rut n PRO 142 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1rut h THR 143 N 4.98 1.19 -0.62 0.52 2.02 -1.98 -0.90 112.91 118.11 1rut h THR 143 Ca 0.45 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 67.29 1rut h THR 143 Cb 0.81 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1rut h THR 143 CO 1.52 0.20 0.37 0.00 0.37 0.00 0.00 175.52 177.97 1rut h ALA 144 N 1.31 0.81 -0.48 6.16 0.00 -2.01 -2.30 119.26 122.75 1rut h ALA 144 Ca 0.31 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1rut h ALA 144 Cb -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1rut h ALA 144 CO -0.08 0.08 0.05 -0.07 0.00 0.00 0.00 179.25 179.24 1rut h LEU 145 N 0.70 0.78 0.00 0.00 3.38 -1.79 -3.55 115.31 114.83 1rut h LEU 145 Ca 0.26 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rut h LEU 145 Cb 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1rut h LEU 145 CO -0.13 0.86 0.00 -0.38 0.09 0.00 0.00 178.44 178.88 1rut n ILE 146 N -4.41 0.00 0.00 1.22 5.41 -0.41 -5.14 119.36 116.03 1rut n ILE 146 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1rut n ILE 146 Cb 0.27 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 1rut n ILE 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1rut n GLY 211 N 3.11 0.02 3.71 7.39 0.00 -1.26 -5.08 105.19 113.08 1rut n GLY 211 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1rut n GLY 211 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rut s ASP 300 N -0.59 6.69 -0.07 1.61 1.01 -1.26 -4.99 116.67 119.06 1rut s ASP 300 Ca 0.00 2.45 -0.25 0.00 0.71 0.00 0.00 52.55 55.46 1rut s ASP 300 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 1rut s ASP 300 CO 0.00 -0.77 0.77 -0.69 0.21 0.00 0.00 175.17 174.69 1rut s VAL 301 N 1.56 4.99 0.25 -1.27 1.01 -1.26 -4.56 120.40 121.12 1rut s VAL 301 Ca 0.68 1.59 0.09 0.00 0.00 0.00 0.00 61.98 64.34 1rut s VAL 301 Cb -0.39 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1rut s VAL 301 CO 0.31 0.19 0.04 -0.32 0.00 0.00 0.00 175.10 175.32 1rut s MET 302 N 1.08 2.46 -0.16 2.72 1.75 0.50 -4.93 119.30 122.72 1rut s MET 302 Ca 0.40 -1.28 -0.01 0.00 -1.25 0.00 0.00 55.69 53.56 1rut s MET 302 Cb -0.18 -2.29 -0.01 0.00 2.84 0.00 0.00 34.83 35.19 1rut s MET 302 CO 0.19 0.39 -0.12 0.08 -0.65 0.00 0.00 175.02 174.91 1rut s VAL 303 N -2.17 3.00 0.11 10.11 1.01 -1.26 -1.03 120.40 130.17 1rut s VAL 303 Ca 0.31 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 1rut s VAL 303 Cb -0.07 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 33.93 1rut s VAL 303 CO 0.21 0.50 1.64 -0.69 0.00 0.00 0.00 175.10 176.76 1rut s VAL 304 N 0.72 2.83 0.76 2.92 1.01 -0.08 -4.88 120.40 123.69 1rut s VAL 304 Ca -0.05 0.42 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 1rut s VAL 304 Cb -0.15 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 33.02 1rut s VAL 304 CO 0.02 0.01 1.12 -0.83 0.00 0.00 0.00 175.10 175.42 1rut s GLY 305 N 1.99 1.62 0.59 4.51 0.00 -1.26 -1.05 107.32 113.71 1rut s GLY 305 Ca 0.73 -0.66 -0.19 0.00 0.00 0.00 0.00 44.72 44.60 1rut s GLY 305 CO 0.32 -0.22 1.20 -0.54 0.00 0.00 0.00 173.10 173.87 1rut s GLU 306 N -5.45 2.99 0.57 2.90 0.41 -1.26 -4.31 118.70 114.55 1rut s GLU 306 Ca 0.61 1.81 -0.20 0.00 -0.41 0.00 0.00 54.97 56.78 1rut s GLU 306 Cb -0.11 -1.93 -0.04 0.00 -1.78 0.00 0.00 34.13 30.27 1rut s GLU 306 CO 0.48 -1.18 1.26 -1.25 -0.49 0.00 0.00 175.26 174.07 1rut s PRO 307 N -3.33 3.07 0.15 0.39 0.04 -1.26 -4.88 135.00 129.19 1rut s PRO 307 Ca 0.77 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.82 1rut s PRO 307 Cb -0.30 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 1rut s PRO 307 CO 0.33 -1.16 -0.08 -0.08 0.04 0.00 0.00 177.00 176.04 1rut s THR 308 N -1.47 1.08 0.20 1.26 -1.32 -0.80 -4.89 115.64 109.70 1rut s THR 308 Ca 0.75 -2.04 -0.30 0.00 -1.21 0.00 0.00 61.69 58.88 1rut s THR 308 Cb -0.34 -1.91 -0.08 0.00 -1.51 0.00 0.00 72.50 68.66 1rut s THR 308 CO 0.38 -0.69 1.23 -0.76 -2.21 0.00 0.00 174.62 172.57 1rut s LEU 309 N -3.17 4.44 0.21 9.08 1.43 -1.26 -0.41 118.68 129.00 1rut s LEU 309 Ca 0.18 2.29 -0.10 0.00 -1.03 0.00 0.00 54.13 55.47 1rut s LEU 309 Cb 0.03 -3.61 0.30 0.00 0.03 0.00 0.00 46.19 42.94 1rut s LEU 309 CO 0.01 -0.41 1.69 -0.03 0.23 0.00 0.00 176.35 177.84 1rut h MET 310 N 5.18 0.20 0.00 1.70 1.85 -1.14 -1.55 114.93 121.16 1rut h MET 310 Ca -0.45 -0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 58.59 1rut h MET 310 Cb 1.21 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.19 1rut h MET 310 CO 0.75 0.13 -0.19 0.78 -0.40 0.00 0.00 176.91 177.98 1rut h GLY 311 N 0.20 0.00 0.00 1.39 0.00 -1.19 -3.46 103.07 100.01 1rut h GLY 311 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1rut h GLY 311 CO -0.45 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.70 1rut n GLY 312 N 0.00 -0.01 3.79 4.60 0.00 -0.59 -4.53 105.19 108.45 1rut n GLY 312 Ca -0.00 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 1rut n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rut s GLU 313 N 0.00 4.40 0.04 1.61 0.41 -1.26 -4.99 118.70 118.92 1rut s GLU 313 Ca 0.00 1.33 0.01 0.00 -0.41 0.00 0.00 54.97 55.90 1rut s GLU 313 Cb 0.00 -2.60 -0.03 0.00 -1.78 0.00 0.00 34.13 29.72 1rut s GLU 313 CO 0.00 0.10 -0.05 -0.59 -0.49 0.00 0.00 175.26 174.23 1rut s PHE 314 N -1.75 0.53 0.80 1.61 -0.71 -1.26 -5.09 117.98 112.11 1rut s PHE 314 Ca 0.55 -0.67 -0.11 0.00 -1.04 0.00 0.00 56.93 55.66 1rut s PHE 314 Cb -0.17 -0.34 0.07 0.00 -1.21 0.00 0.00 43.02 41.36 1rut s PHE 314 CO 0.22 -0.18 1.09 0.20 -1.34 0.00 0.00 175.22 175.21 1rut s GLY 315 N -1.98 1.65 -0.25 1.99 0.00 -1.26 -4.97 107.32 102.50 1rut s GLY 315 Ca -0.06 0.07 0.13 0.00 0.00 0.00 0.00 44.72 44.85 1rut s GLY 315 CO -0.03 0.46 1.74 2.09 0.00 0.00 0.00 173.10 177.36 1rut n ASP 316 N -3.54 5.53 0.13 1.64 5.68 -1.26 -4.65 116.55 120.08 1rut n ASP 316 Ca 0.08 -2.96 0.10 0.00 -0.50 0.00 0.00 54.79 51.51 1rut n ASP 316 Cb 0.54 -0.70 0.60 0.00 -1.14 0.00 0.00 41.12 40.43 1rut n ASP 316 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1rut h GLU 317 N 3.72 0.13 -0.06 0.11 4.39 -2.01 -1.45 114.58 119.40 1rut h GLU 317 Ca 0.04 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1rut h GLU 317 Cb 2.02 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 1rut h GLU 317 CO 0.53 0.08 0.00 -0.25 -1.16 0.00 0.00 179.01 178.21 1rut n ASP 318 N -4.49 2.99 -4.74 1.42 8.00 -1.26 -4.96 116.55 113.51 1rut n ASP 318 Ca 0.02 -1.98 -0.41 0.00 0.71 0.00 0.00 54.79 53.13 1rut n ASP 318 Cb 0.23 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 1rut n ASP 318 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1rut s GLU 319 N -1.96 4.73 -0.21 -1.24 2.12 -0.55 -1.28 118.70 120.32 1rut s GLU 319 Ca 0.29 1.54 -0.02 0.00 0.36 0.00 0.00 54.97 57.14 1rut s GLU 319 Cb 0.20 -3.31 0.06 0.00 0.26 0.00 0.00 34.13 31.34 1rut s GLU 319 CO 0.30 0.29 0.02 1.03 -0.54 0.00 0.00 175.26 176.36 1rut s ARG 320 N -0.55 0.90 0.56 4.30 1.81 0.81 -4.96 118.95 121.82 1rut s ARG 320 Ca 0.45 -0.60 -0.20 0.00 -1.72 0.00 0.00 55.73 53.66 1rut s ARG 320 Cb -0.26 -2.23 -0.04 0.00 -0.45 0.00 0.00 34.95 31.97 1rut s ARG 320 CO 0.32 -0.65 1.23 -0.51 -0.68 0.00 0.00 175.30 175.02 1rut s LEU 321 N 1.73 3.76 -0.14 2.53 1.43 -1.26 -1.03 118.68 125.69 1rut s LEU 321 Ca -0.02 2.45 -0.06 0.00 -1.03 0.00 0.00 54.13 55.48 1rut s LEU 321 Cb -0.18 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.53 1rut s LEU 321 CO -0.08 -1.49 0.06 -0.63 0.23 0.00 0.00 176.35 174.44 1rut s ILE 322 N -1.52 4.80 -0.18 -0.59 1.01 -0.34 -4.53 121.20 119.86 1rut s ILE 322 Ca 0.74 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 61.32 1rut s ILE 322 Cb -0.32 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 1rut s ILE 322 CO 0.36 0.54 -0.06 -0.89 0.00 0.00 0.00 174.94 174.88 1rut s THR 323 N -0.28 3.43 -0.17 2.92 2.01 0.02 -4.79 115.64 118.77 1rut s THR 323 Ca 0.08 -0.50 -0.23 0.00 0.31 0.00 0.00 61.69 61.35 1rut s THR 323 Cb -0.12 -2.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 1rut s THR 323 CO 0.02 0.47 0.74 -0.13 -0.69 0.00 0.00 174.62 175.02 1rut s ARG 324 N 0.88 4.28 0.12 4.92 0.52 -1.26 -0.84 118.95 127.57 1rut s ARG 324 Ca -0.01 0.84 0.10 0.00 -0.52 0.00 0.00 55.73 56.14 1rut s ARG 324 Cb -0.15 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 1rut s ARG 324 CO 0.01 -0.25 -0.25 -0.51 0.02 0.00 0.00 175.30 174.32 1rut s LEU 325 N 1.90 2.31 -0.15 2.53 1.43 -0.14 -5.00 118.68 121.57 1rut s LEU 325 Ca 0.34 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 1rut s LEU 325 Cb -0.16 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 1rut s LEU 325 CO 0.12 0.14 0.22 -0.70 0.23 0.00 0.00 176.35 176.36 1rut s GLU 326 N -2.00 4.03 0.00 1.70 2.12 -1.26 -1.15 118.70 122.14 1rut s GLU 326 Ca 0.11 -0.02 0.18 0.00 0.36 0.00 0.00 54.97 55.61 1rut s GLU 326 Cb -0.10 -3.35 1.10 0.00 0.26 0.00 0.00 34.13 32.04 1rut s GLU 326 CO 0.05 0.42 1.50 -1.71 -0.54 0.00 0.00 175.26 174.98