#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4rub n SER 10 N 0.00 -0.13 -1.52 0.00 3.41 -1.26 -4.95 113.62 109.17 4rub n SER 10 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 4rub n SER 10 Cb 0.00 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 4rub n SER 10 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 4rub n VAL 11 N 0.52 -6.67 -1.48 -3.33 0.31 -1.26 -4.90 118.33 101.53 4rub n VAL 11 Ca 0.00 1.30 -0.39 0.00 -0.01 0.00 0.00 64.34 65.24 4rub n VAL 11 Cb 0.00 -4.21 0.03 0.00 -0.91 0.00 0.00 33.84 28.75 4rub n VAL 11 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4rub n GLY 12 N 0.75 -1.39 3.66 2.92 0.00 -1.26 -4.86 105.19 105.00 4rub n GLY 12 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 4rub n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 4rub s PHE 13 N -1.66 2.42 -0.35 1.61 5.36 -1.26 -4.96 117.98 119.15 4rub s PHE 13 Ca 0.68 0.63 0.02 0.00 -0.96 0.00 0.00 56.93 57.30 4rub s PHE 13 Cb -0.47 -3.74 0.10 0.00 -0.34 0.00 0.00 43.02 38.58 4rub s PHE 13 CO 0.55 -2.67 0.10 0.21 -1.46 0.00 0.00 175.22 171.94 4rub s LYS 14 N 3.87 1.21 0.48 10.12 2.20 -1.26 -5.11 119.74 131.25 4rub s LYS 14 Ca 0.64 -1.64 -0.22 0.00 -0.36 0.00 0.00 55.97 54.40 4rub s LYS 14 Cb -0.26 -2.68 -0.10 0.00 -1.51 0.00 0.00 37.83 33.28 4rub s LYS 14 CO 0.22 -0.99 0.76 0.00 -0.36 0.00 0.00 175.35 174.99 4rub n ALA 15 N 4.34 -0.61 0.00 3.13 0.00 -1.26 -4.82 120.51 121.29 4rub n ALA 15 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.59 4rub n ALA 15 Cb 0.41 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.92 4rub n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4rub n GLY 16 N 1.51 3.19 3.77 0.00 0.00 -1.26 -4.93 105.19 107.47 4rub n GLY 16 Ca 0.11 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 4rub n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4rub s VAL 17 N -2.79 3.16 0.07 1.61 1.01 -1.26 -1.97 120.40 120.24 4rub s VAL 17 Ca 0.00 0.61 -0.14 0.00 0.00 0.00 0.00 61.98 62.45 4rub s VAL 17 Cb 0.00 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.25 4rub s VAL 17 CO 0.00 -0.27 0.31 -0.54 0.00 0.00 0.00 175.10 174.61 4rub s LYS 18 N -3.78 0.89 0.52 2.72 1.02 -1.26 -4.94 119.74 114.90 4rub s LYS 18 Ca 0.70 -0.63 -0.17 0.00 0.02 0.00 0.00 55.97 55.88 4rub s LYS 18 Cb -0.22 0.38 -0.07 0.00 -0.52 0.00 0.00 37.83 37.40 4rub s LYS 18 CO 0.36 -0.30 1.00 -1.21 -0.92 0.00 0.00 175.35 174.28 4rub s GLU 19 N -3.12 3.85 0.15 1.68 8.01 -1.26 -4.91 118.70 123.09 4rub s GLU 19 Ca -0.01 1.03 -0.17 0.00 0.01 0.00 0.00 54.97 55.83 4rub s GLU 19 Cb 0.01 -2.12 0.03 0.00 -4.31 0.00 0.00 34.13 27.74 4rub s GLU 19 CO -0.07 -0.36 1.76 1.88 0.01 0.00 0.00 175.26 178.48 4rub h TYR 20 N 0.92 0.25 -0.56 1.61 0.05 -1.91 -2.93 116.97 114.39 4rub h TYR 20 Ca -0.47 0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.44 4rub h TYR 20 Cb 1.19 -0.06 -0.11 0.00 1.01 0.00 0.00 36.73 38.76 4rub h TYR 20 CO 0.62 0.12 -0.14 1.17 -1.05 0.00 0.00 178.16 178.89 4rub n LYS 21 N -4.99 -0.05 -0.03 4.88 4.81 -1.26 -0.21 118.16 121.32 4rub n LYS 21 Ca 0.00 0.88 0.24 0.00 -0.87 0.00 0.00 58.31 58.56 4rub n LYS 21 Cb 0.10 -1.31 0.72 0.00 0.02 0.00 0.00 35.03 34.55 4rub n LYS 21 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 4rub h LEU 22 N 0.00 0.00 0.00 3.14 -0.00 -1.85 -2.78 115.31 113.82 4rub h LEU 22 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 4rub h LEU 22 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 4rub h LEU 22 CO -0.58 0.00 -0.73 0.41 -0.00 0.00 0.00 178.44 177.54 4rub n THR 23 N -3.94 0.00 0.16 0.22 -1.04 0.71 -4.82 114.28 105.57 4rub n THR 23 Ca 0.12 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.23 4rub n THR 23 Cb 0.78 -0.21 0.19 0.00 -1.82 0.00 0.00 70.33 69.27 4rub n THR 23 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 4rub n TYR 24 N -1.35 0.48 -3.79 -1.42 4.02 -0.43 -4.76 117.16 109.91 4rub n TYR 24 Ca 0.00 -0.29 -0.37 0.00 -0.01 0.00 0.00 57.90 57.23 4rub n TYR 24 Cb 0.19 -0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.38 4rub n TYR 24 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 4rub s TYR 25 N -1.28 3.25 -0.40 -0.72 5.04 -1.05 -0.45 117.35 121.74 4rub s TYR 25 Ca 0.34 -1.50 0.06 0.00 -2.44 0.00 0.00 57.07 53.53 4rub s TYR 25 Cb 0.20 -2.23 0.22 0.00 0.35 0.00 0.00 41.96 40.49 4rub s TYR 25 CO 0.27 -0.74 0.45 2.41 -1.34 0.00 0.00 175.55 176.61 4rub n THR 26 N 4.77 -0.90 0.60 4.34 -1.04 0.19 -4.88 114.28 117.37 4rub n THR 26 Ca -0.13 -3.71 0.07 0.00 -2.04 0.00 0.00 64.05 58.25 4rub n THR 26 Cb 0.45 -1.76 0.35 0.00 -1.82 0.00 0.00 70.33 67.54 4rub n THR 26 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 4rub n PRO 27 N 2.00 0.10 -0.09 -2.82 -0.04 -1.26 -1.70 135.00 131.19 4rub n PRO 27 Ca 0.24 0.20 -0.12 0.00 -0.04 0.00 0.00 63.50 63.78 4rub n PRO 27 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 4rub n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 4rub h GLU 28 N 0.00 0.57 -6.07 0.54 3.07 -1.92 -3.47 114.58 107.30 4rub h GLU 28 Ca 0.00 -0.26 -0.76 0.00 -0.50 0.00 0.00 59.36 57.85 4rub h GLU 28 Cb 0.20 -0.01 0.05 0.00 -0.84 0.00 0.00 28.75 28.15 4rub h GLU 28 CO 0.00 0.83 0.14 0.98 -1.40 0.00 0.00 179.01 179.56 4rub n TYR 29 N -4.43 0.84 -3.65 4.33 9.36 -0.69 -4.98 117.16 117.94 4rub n TYR 29 Ca -0.04 0.94 -0.39 0.00 3.32 0.00 0.00 57.90 61.73 4rub n TYR 29 Cb 0.37 -2.15 -0.11 0.00 -0.63 0.00 0.00 39.34 36.82 4rub n TYR 29 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 4rub s GLN 30 N 0.08 2.58 0.42 2.98 -1.52 -1.26 -4.99 119.66 117.95 4rub s GLN 30 Ca 0.88 -1.41 -0.25 0.00 -1.95 0.00 0.00 55.36 52.63 4rub s GLN 30 Cb -1.17 -3.70 -0.08 0.00 -0.22 0.00 0.00 33.01 27.84 4rub s GLN 30 CO 0.54 -0.89 1.28 0.95 -0.25 0.00 0.00 175.29 176.93 4rub s THR 31 N 1.41 2.65 0.03 -0.19 -4.23 -1.26 -5.02 115.64 109.03 4rub s THR 31 Ca 0.02 0.56 -0.04 0.00 -1.18 0.00 0.00 61.69 61.06 4rub s THR 31 Cb -0.22 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 4rub s THR 31 CO 0.02 0.06 0.24 -0.54 -0.54 0.00 0.00 174.62 173.86 4rub s LYS 32 N -2.36 3.50 0.60 3.99 3.01 -1.26 -5.01 119.74 122.21 4rub s LYS 32 Ca 0.59 -0.24 0.29 0.00 -1.01 0.00 0.00 55.97 55.60 4rub s LYS 32 Cb -0.37 -3.05 1.65 0.00 -1.01 0.00 0.00 37.83 35.05 4rub s LYS 32 CO 0.47 0.63 2.06 -0.44 0.51 0.00 0.00 175.35 178.58 4rub h ASP 33 N 3.62 0.00 -0.43 2.83 3.32 -2.03 0.90 116.42 124.63 4rub h ASP 33 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 4rub h ASP 33 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 4rub h ASP 33 CO 0.70 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.57 4rub n THR 34 N -3.71 0.56 -2.65 0.35 -2.24 -1.26 -4.69 114.28 100.64 4rub n THR 34 Ca 0.02 -0.70 -0.36 0.00 -2.27 0.00 0.00 64.05 60.75 4rub n THR 34 Cb 0.38 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 4rub n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 4rub s ASP 35 N -1.33 6.95 0.00 3.42 1.01 0.31 -3.65 116.67 123.37 4rub s ASP 35 Ca 0.38 1.94 -0.20 0.00 0.71 0.00 0.00 52.55 55.38 4rub s ASP 35 Cb 0.21 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 4rub s ASP 35 CO 0.29 -0.36 0.58 -0.63 0.21 0.00 0.00 175.17 175.27 4rub s ILE 36 N -1.71 4.90 0.12 0.77 1.09 0.18 -4.39 121.20 122.15 4rub s ILE 36 Ca 0.56 1.22 0.10 0.00 -1.10 0.00 0.00 60.65 61.43 4rub s ILE 36 Cb -0.19 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.25 4rub s ILE 36 CO 0.25 0.44 -0.25 -0.76 -0.10 0.00 0.00 174.94 174.51 4rub s LEU 37 N -0.30 2.32 -0.01 2.97 1.43 -1.15 0.49 118.68 124.43 4rub s LEU 37 Ca 0.30 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 4rub s LEU 37 Cb -0.18 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.91 4rub s LEU 37 CO 0.17 0.15 -0.03 0.00 0.23 0.00 0.00 176.35 176.86 4rub s ALA 38 N -1.10 0.31 -0.58 4.21 0.00 0.17 -0.26 121.76 124.52 4rub s ALA 38 Ca 0.12 -0.12 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 4rub s ALA 38 Cb -0.10 -0.11 0.15 0.00 0.00 0.00 0.00 23.12 23.06 4rub s ALA 38 CO 0.06 0.06 0.46 0.00 0.00 0.00 0.00 175.76 176.34 4rub s ALA 39 N 0.05 3.59 0.03 0.00 0.00 0.07 0.05 121.76 125.55 4rub s ALA 39 Ca -0.00 -2.86 -0.15 0.00 0.00 0.00 0.00 51.96 48.95 4rub s ALA 39 Cb -0.03 -2.96 -0.06 0.00 0.00 0.00 0.00 23.12 20.07 4rub s ALA 39 CO -0.00 -2.03 0.44 -0.06 0.00 0.00 0.00 175.76 174.11 4rub s PHE 40 N 0.81 3.73 -0.72 0.00 0.08 -0.21 -1.84 117.98 119.83 4rub s PHE 40 Ca 0.11 1.03 -0.14 0.00 0.12 0.00 0.00 56.93 58.04 4rub s PHE 40 Cb -0.22 -2.32 0.19 0.00 -0.57 0.00 0.00 43.02 40.10 4rub s PHE 40 CO -0.03 0.62 0.66 0.50 -0.10 0.00 0.00 175.22 176.86 4rub s ARG 41 N -1.20 3.34 0.17 0.44 3.52 0.43 0.39 118.95 126.04 4rub s ARG 41 Ca 0.26 -2.20 -0.11 0.00 -0.13 0.00 0.00 55.73 53.55 4rub s ARG 41 Cb -0.17 -4.35 -0.07 0.00 -1.56 0.00 0.00 34.95 28.80 4rub s ARG 41 CO 0.15 -1.30 0.52 0.54 -0.81 0.00 0.00 175.30 174.41 4rub s VAL 42 N 0.66 4.93 -0.35 7.11 0.11 -0.17 -2.93 120.40 129.77 4rub s VAL 42 Ca 0.13 0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 59.76 4rub s VAL 42 Cb -0.17 -3.67 0.13 0.00 -1.53 0.00 0.00 36.38 31.13 4rub s VAL 42 CO -0.05 0.10 0.18 -0.89 -3.33 0.00 0.00 175.10 171.12 4rub s THR 43 N -1.62 0.43 1.37 5.04 2.01 -1.07 -0.78 115.64 121.01 4rub s THR 43 Ca 0.41 -1.63 -0.23 0.00 0.31 0.00 0.00 61.69 60.56 4rub s THR 43 Cb -0.13 -1.32 0.35 0.00 0.01 0.00 0.00 72.50 71.41 4rub s THR 43 CO 0.20 -0.88 1.00 -2.84 -0.69 0.00 0.00 174.62 171.41 4rub s PRO 44 N 1.22 -2.55 -0.17 4.92 0.02 -1.25 -1.65 135.00 135.54 4rub s PRO 44 Ca 0.15 -0.05 -0.10 0.00 0.02 0.00 0.00 61.00 61.02 4rub s PRO 44 Cb -0.21 -1.44 -0.05 0.00 0.02 0.00 0.00 34.50 32.82 4rub s PRO 44 CO -0.10 -4.59 0.18 -1.14 -0.33 0.00 0.00 177.00 171.02 4rub s GLN 45 N -5.30 4.05 0.00 5.54 2.00 -1.14 -4.24 119.66 120.57 4rub s GLN 45 Ca 0.70 -0.11 0.00 0.00 -2.00 0.00 0.00 55.36 53.95 4rub s GLN 45 Cb -0.10 -3.37 0.00 0.00 0.80 0.00 0.00 33.01 30.34 4rub s GLN 45 CO 0.56 0.39 0.00 -2.30 -0.50 0.00 0.00 175.29 173.44 4rub n PRO 46 N 3.18 0.00 -0.24 1.67 -0.02 -1.26 0.58 135.00 138.92 4rub n PRO 46 Ca -0.16 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.38 4rub n PRO 46 Cb 0.53 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.18 4rub n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4rub n GLY 47 N -0.23 1.02 3.52 -1.23 0.00 -1.26 -4.84 105.19 102.17 4rub n GLY 47 Ca 0.00 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 4rub n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4rub s VAL 48 N -1.58 5.26 0.34 1.61 1.01 0.20 -5.03 120.40 122.21 4rub s VAL 48 Ca 0.25 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 4rub s VAL 48 Cb 0.14 -3.78 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 4rub s VAL 48 CO 0.15 -0.09 1.44 -2.16 0.00 0.00 0.00 175.10 174.44 4rub s PRO 49 N 1.77 4.20 0.18 2.72 0.04 -1.26 -4.66 135.00 137.99 4rub s PRO 49 Ca 0.07 2.44 -0.14 0.00 0.04 0.00 0.00 61.00 63.41 4rub s PRO 49 Cb -0.18 -3.02 0.12 0.00 0.04 0.00 0.00 34.50 31.47 4rub s PRO 49 CO 0.11 -0.43 1.78 -1.00 0.04 0.00 0.00 177.00 177.49 4rub h PRO 50 N 3.60 0.43 0.00 0.56 0.13 -1.97 0.24 132.00 134.99 4rub h PRO 50 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 4rub h PRO 50 Cb 1.23 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.26 4rub h PRO 50 CO 0.68 0.29 0.00 -0.85 -0.23 0.00 0.00 178.00 177.89 4rub n GLU 51 N -4.92 0.06 -0.04 0.86 0.00 -1.26 0.56 120.64 115.90 4rub n GLU 51 Ca 0.04 0.26 -0.03 0.00 0.00 0.00 0.00 57.16 57.43 4rub n GLU 51 Cb 0.14 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.07 4rub n GLU 51 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 4rub n GLU 52 N -1.31 0.26 -0.22 3.44 4.07 0.72 -3.09 120.64 124.52 4rub n GLU 52 Ca 0.02 0.32 -0.05 0.00 -0.06 0.00 0.00 57.16 57.38 4rub n GLU 52 Cb 0.04 -1.19 -0.05 0.00 -0.06 0.00 0.00 31.44 30.18 4rub n GLU 52 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 4rub n ALA 53 N -3.19 -0.31 -0.22 4.31 0.00 -0.37 0.21 120.51 120.94 4rub n ALA 53 Ca -0.05 0.45 0.02 0.00 0.00 0.00 0.00 53.44 53.86 4rub n ALA 53 Cb 0.19 -0.09 0.14 0.00 0.00 0.00 0.00 19.45 19.69 4rub n ALA 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 4rub h GLY 54 N 0.00 0.95 2.00 0.00 0.00 -0.06 0.87 103.07 106.83 4rub h GLY 54 Ca 0.09 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 4rub h GLY 54 CO -0.49 -0.06 -0.27 0.00 0.00 0.00 0.00 176.54 175.72 4rub h ALA 55 N 1.48 0.92 -0.01 3.60 0.00 0.25 -2.42 119.26 123.08 4rub h ALA 55 Ca 0.35 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 4rub h ALA 55 Cb 0.48 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 4rub h ALA 55 CO -0.36 0.33 -0.01 0.00 0.00 0.00 0.00 179.25 179.21 4rub h ALA 56 N 1.73 0.01 -0.97 0.00 0.00 0.13 -0.17 119.26 119.99 4rub h ALA 56 Ca -0.00 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.77 4rub h ALA 56 Cb 0.94 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 4rub h ALA 56 CO 0.03 -0.22 0.61 0.28 0.00 0.00 0.00 179.25 179.96 4rub h VAL 57 N -0.49 0.89 0.00 0.00 2.07 -1.25 0.49 116.25 117.96 4rub h VAL 57 Ca 0.00 -0.31 -0.21 0.00 0.82 0.00 0.00 66.70 67.01 4rub h VAL 57 Cb 0.53 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 4rub h VAL 57 CO 0.00 0.16 -1.00 0.00 0.02 0.00 0.00 177.57 176.76 4rub h ALA 58 N 1.56 0.40 0.00 1.67 0.00 -1.33 -3.28 119.26 118.28 4rub h ALA 58 Ca 0.49 -0.90 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 4rub h ALA 58 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 4rub h ALA 58 CO -0.25 1.22 -0.00 0.00 0.00 0.00 0.00 179.25 180.21 4rub h ALA 59 N 1.04 -0.00 0.00 0.00 0.00 0.42 -3.29 119.26 117.43 4rub h ALA 59 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.43 4rub h ALA 59 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 4rub h ALA 59 CO 0.12 -0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.74 4rub n GLU 60 N -4.64 0.66 -0.02 0.00 -0.58 0.02 -1.17 120.64 114.91 4rub n GLU 60 Ca -0.09 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.66 4rub n GLU 60 Cb 0.44 -1.09 0.02 0.00 -0.57 0.00 0.00 31.44 30.25 4rub n GLU 60 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 4rub n SER 61 N -0.59 1.61 0.00 1.62 2.88 -1.24 -4.60 113.62 113.31 4rub n SER 61 Ca 0.03 -1.43 0.00 0.00 -1.33 0.00 0.00 58.87 56.13 4rub n SER 61 Cb 0.01 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 4rub n SER 61 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 4rub n SER 62 N 0.04 0.00 0.00 -3.46 3.41 -0.91 -4.47 113.62 108.23 4rub n SER 62 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 4rub n SER 62 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 4rub n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 4rub n THR 63 N -0.97 0.00 -4.14 6.66 -2.24 -1.16 -4.93 114.28 107.50 4rub n THR 63 Ca 0.00 -0.43 -0.24 0.00 -2.27 0.00 0.00 64.05 61.11 4rub n THR 63 Cb 0.00 0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 69.13 4rub n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 4rub s GLY 64 N -0.96 2.13 0.00 3.38 0.00 -0.32 -5.05 107.32 106.50 4rub s GLY 64 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.75 4rub s GLY 64 CO 0.00 -1.84 0.00 -0.37 0.00 0.00 0.00 173.10 170.89 4rub n THR 65 N -1.16 0.00 1.62 0.90 5.66 -1.26 -4.03 114.28 116.01 4rub n THR 65 Ca -0.02 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.13 4rub n THR 65 Cb 0.63 0.00 0.82 0.00 -1.55 0.00 0.00 70.33 70.23 4rub n THR 65 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 4rub n TRP 66 N 0.00 0.00 -4.15 1.09 4.27 -1.26 -4.91 117.44 112.48 4rub n TRP 66 Ca 0.00 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.47 4rub n TRP 66 Cb 0.00 -0.18 -0.05 0.00 -1.36 0.00 0.00 31.31 29.72 4rub n TRP 66 CO 0.00 0.00 0.00 -2.37 -2.29 0.00 0.00 177.69 173.03 4rub n THR 67 N -1.18 0.00 -3.62 -1.67 5.66 -1.26 -4.62 114.28 107.59 4rub n THR 67 Ca 0.18 -1.79 -0.36 0.00 -3.05 0.00 0.00 64.05 59.03 4rub n THR 67 Cb 0.19 0.94 -0.08 0.00 -1.55 0.00 0.00 70.33 69.83 4rub n THR 67 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 4rub s THR 68 N -2.98 5.34 -0.09 1.09 2.01 -0.83 -4.92 115.64 115.26 4rub s THR 68 Ca 0.29 0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.67 4rub s THR 68 Cb 0.01 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 4rub s THR 68 CO 0.21 0.38 -0.15 0.68 -0.69 0.00 0.00 174.62 175.05 4rub s VAL 69 N 0.65 2.94 0.39 3.82 -7.23 -1.26 -4.39 120.40 115.31 4rub s VAL 69 Ca 0.12 -0.73 0.06 0.00 -1.81 0.00 0.00 61.98 59.61 4rub s VAL 69 Cb -0.13 -2.19 0.25 0.00 0.56 0.00 0.00 36.38 34.88 4rub s VAL 69 CO 0.02 0.55 2.02 4.11 -0.31 0.00 0.00 175.10 181.50 4rub h TRP 70 N 6.17 0.57 -1.53 2.82 5.08 -1.99 -3.14 115.95 123.93 4rub h TRP 70 Ca -0.33 0.00 0.45 0.00 1.08 0.00 0.00 58.89 60.09 4rub h TRP 70 Cb 1.19 -0.19 -0.08 0.00 -3.00 0.00 0.00 29.16 27.08 4rub h TRP 70 CO 0.49 0.39 1.08 1.79 -1.28 0.00 0.00 178.44 180.91 4rub h THR 71 N 0.60 0.20 -0.79 0.12 1.35 -2.02 -0.44 112.91 111.92 4rub h THR 71 Ca 0.16 -0.01 0.21 0.00 -0.55 0.00 0.00 66.41 66.21 4rub h THR 71 Cb -0.01 0.15 -0.04 0.00 -1.73 0.00 0.00 68.15 66.52 4rub h THR 71 CO -0.03 0.01 0.55 0.44 -0.25 0.00 0.00 175.52 176.24 4rub h ASP 72 N 0.04 0.14 0.16 5.36 3.32 -1.92 0.69 116.42 124.20 4rub h ASP 72 Ca 0.77 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.83 4rub h ASP 72 Cb 2.90 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 42.44 4rub h ASP 72 CO -0.10 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.08 4rub n GLY 73 N -1.63 -0.89 0.11 2.75 0.00 -0.17 -3.27 105.19 102.08 4rub n GLY 73 Ca 0.16 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 4rub n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 4rub h LEU 74 N 0.00 0.32 0.00 0.99 4.07 0.25 1.90 115.31 122.84 4rub h LEU 74 Ca 0.00 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.50 4rub h LEU 74 Cb 0.08 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.71 4rub h LEU 74 CO 0.00 1.38 0.00 1.07 -1.08 0.00 0.00 178.44 179.81 4rub n THR 75 N -3.40 0.00 -3.54 0.22 5.66 -1.20 -4.76 114.28 107.25 4rub n THR 75 Ca -0.16 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.55 4rub n THR 75 Cb 1.04 -0.46 -0.15 0.00 -1.55 0.00 0.00 70.33 69.21 4rub n THR 75 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 4rub s SER 76 N -0.01 3.51 0.65 1.09 1.04 -1.26 -3.53 113.70 115.19 4rub s SER 76 Ca 0.00 -1.41 0.35 0.00 0.48 0.00 0.00 55.95 55.37 4rub s SER 76 Cb 0.00 -0.39 1.92 0.00 0.10 0.00 0.00 66.02 67.65 4rub s SER 76 CO 0.00 -0.42 2.12 -0.07 0.98 0.00 0.00 173.24 175.85 4rub h LEU 77 N 8.24 0.00 -1.77 2.42 3.38 -1.98 -0.60 115.31 124.99 4rub h LEU 77 Ca -0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 4rub h LEU 77 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 4rub h LEU 77 CO 0.42 0.00 0.04 0.44 0.09 0.00 0.00 178.44 179.43 4rub h ASP 78 N 0.00 0.16 0.01 -0.43 3.32 -1.95 0.61 116.42 118.15 4rub h ASP 78 Ca 0.03 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 4rub h ASP 78 Cb 0.40 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.93 4rub h ASP 78 CO -0.00 0.17 -0.68 0.03 -1.72 0.00 0.00 179.24 177.03 4rub h ARG 79 N 0.19 0.44 0.01 3.56 3.08 -1.55 -3.40 114.38 116.70 4rub h ARG 79 Ca 0.05 -0.49 -0.38 0.00 0.07 0.00 0.00 59.98 59.23 4rub h ARG 79 Cb 0.06 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 4rub h ARG 79 CO -0.00 1.15 -2.37 0.66 -1.07 0.00 0.00 179.97 178.33 4rub n TYR 80 N -4.16 0.16 -1.55 3.04 4.01 -0.94 -4.84 117.16 112.88 4rub n TYR 80 Ca -0.11 0.04 -0.46 0.00 -0.16 0.00 0.00 57.90 57.21 4rub n TYR 80 Cb 0.71 -1.02 -0.02 0.00 -0.31 0.00 0.00 39.34 38.70 4rub n TYR 80 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 4rub n LYS 81 N -3.10 1.04 -2.52 -0.72 2.85 0.21 -4.66 118.16 111.26 4rub n LYS 81 Ca -0.39 0.37 -0.33 0.00 -1.05 0.00 0.00 58.31 56.91 4rub n LYS 81 Cb 1.06 -1.69 -0.04 0.00 -0.65 0.00 0.00 35.03 33.70 4rub n LYS 81 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 4rub s GLY 82 N -0.54 2.20 -0.14 2.58 0.00 -1.26 -4.68 107.32 105.48 4rub s GLY 82 Ca 0.63 0.29 -0.09 0.00 0.00 0.00 0.00 44.72 45.55 4rub s GLY 82 CO 0.58 0.57 0.35 1.09 0.00 0.00 0.00 173.10 175.69 4rub s ARG 83 N -3.73 0.34 -0.65 2.90 1.70 -0.27 -4.70 118.95 114.54 4rub s ARG 83 Ca 0.61 0.65 -0.25 0.00 -0.47 0.00 0.00 55.73 56.27 4rub s ARG 83 Cb -0.10 -0.01 0.05 0.00 -0.57 0.00 0.00 34.95 34.32 4rub s ARG 83 CO 0.25 -0.14 1.09 0.00 -1.08 0.00 0.00 175.30 175.42 4rub n TYR 85 N 8.28 1.31 0.00 0.00 4.11 -0.83 0.56 117.16 130.59 4rub n TYR 85 Ca 0.01 -0.60 0.00 0.00 -0.00 0.00 0.00 57.90 57.31 4rub n TYR 85 Cb 0.47 -0.19 0.00 0.00 -0.00 0.00 0.00 39.34 39.62 4rub n TYR 85 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 4rub n ARG 86 N 1.08 0.00 -4.40 -3.48 1.85 -1.25 -4.38 116.66 106.08 4rub n ARG 86 Ca 0.24 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.85 4rub n ARG 86 Cb 0.82 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 32.14 4rub n ARG 86 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 4rub s ILE 87 N -0.90 2.70 -0.09 8.89 1.01 -1.26 0.59 121.20 132.13 4rub s ILE 87 Ca 0.00 -2.14 -0.20 0.00 0.00 0.00 0.00 60.65 58.31 4rub s ILE 87 Cb 0.00 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.90 4rub s ILE 87 CO 0.00 -0.31 0.48 -1.61 0.00 0.00 0.00 174.94 173.50 4rub s GLU 88 N -3.62 0.74 0.19 2.79 2.02 -1.03 -4.93 118.70 114.85 4rub s GLU 88 Ca 0.32 0.27 -0.15 0.00 0.02 0.00 0.00 54.97 55.43 4rub s GLU 88 Cb -0.03 0.35 -0.07 0.00 0.10 0.00 0.00 34.13 34.47 4rub s GLU 88 CO 0.18 -0.18 0.60 1.03 0.02 0.00 0.00 175.26 176.91 4rub s ARG 89 N -0.67 4.01 -0.57 1.61 0.52 -1.26 -1.56 118.95 121.03 4rub s ARG 89 Ca -0.08 0.56 -0.24 0.00 -0.52 0.00 0.00 55.73 55.46 4rub s ARG 89 Cb -0.03 -2.84 0.05 0.00 0.52 0.00 0.00 34.95 32.65 4rub s ARG 89 CO 0.04 0.41 0.93 0.08 0.02 0.00 0.00 175.30 176.79 4rub s VAL 90 N -1.57 4.39 0.09 3.52 1.01 -0.33 -4.87 120.40 122.64 4rub s VAL 90 Ca 0.42 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 62.22 4rub s VAL 90 Cb -0.14 -4.56 -0.10 0.00 0.00 0.00 0.00 36.38 31.58 4rub s VAL 90 CO 0.20 -1.17 1.88 0.54 0.00 0.00 0.00 175.10 176.55 4rub s VAL 91 N 3.92 2.74 -0.68 2.92 0.11 -1.26 -1.99 120.40 126.16 4rub s VAL 91 Ca 0.28 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.38 4rub s VAL 91 Cb -0.14 -3.04 -0.01 0.00 -1.53 0.00 0.00 36.38 31.67 4rub s VAL 91 CO 0.17 -0.00 0.64 0.61 -3.33 0.00 0.00 175.10 173.19 4rub n GLY 92 N 4.35 -1.10 3.64 6.54 0.00 -1.26 -5.03 105.19 112.33 4rub n GLY 92 Ca 0.18 0.40 -0.06 0.00 0.00 0.00 0.00 46.02 46.55 4rub n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4rub s GLU 93 N -3.15 0.42 -0.34 1.61 2.56 -0.84 -5.13 118.70 113.83 4rub s GLU 93 Ca 0.05 0.59 -0.36 0.00 0.00 0.00 0.00 54.97 55.24 4rub s GLU 93 Cb -0.01 0.16 -0.12 0.00 2.00 0.00 0.00 34.13 36.16 4rub s GLU 93 CO 0.66 -0.07 2.13 1.63 -0.56 0.00 0.00 175.26 179.05 4rub n LYS 94 N 2.81 1.03 -1.50 4.30 4.01 -1.26 -3.68 118.16 123.87 4rub n LYS 94 Ca -0.15 0.30 0.00 0.00 -0.51 0.00 0.00 58.31 57.95 4rub n LYS 94 Cb 0.57 -2.35 0.00 0.00 -0.51 0.00 0.00 35.03 32.74 4rub n LYS 94 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 4rub n ASP 95 N 9.06 0.00 -4.22 4.39 2.03 -1.26 -4.79 116.55 121.76 4rub n ASP 95 Ca 0.40 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.41 4rub n ASP 95 Cb 0.20 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.43 4rub n ASP 95 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 4rub s GLN 96 N -1.99 2.45 0.37 -0.67 0.74 -1.24 -3.90 119.66 115.43 4rub s GLN 96 Ca 0.00 -0.81 0.04 0.00 0.05 0.00 0.00 55.36 54.63 4rub s GLN 96 Cb 0.00 -2.02 -0.05 0.00 1.10 0.00 0.00 33.01 32.04 4rub s GLN 96 CO 0.00 0.29 0.08 0.71 -0.55 0.00 0.00 175.29 175.82 4rub s TYR 97 N 0.03 1.91 -0.37 1.67 1.51 0.04 -1.18 117.35 120.96 4rub s TYR 97 Ca -0.08 -1.06 0.01 0.00 -1.01 0.00 0.00 57.07 54.93 4rub s TYR 97 Cb -0.14 -1.29 0.10 0.00 -0.11 0.00 0.00 41.96 40.52 4rub s TYR 97 CO 0.05 -0.06 0.11 0.42 -1.11 0.00 0.00 175.55 174.96 4rub s ILE 98 N -3.21 2.73 0.07 2.71 -1.09 -0.60 -1.00 121.20 120.81 4rub s ILE 98 Ca 0.29 -2.19 -0.22 0.00 -2.23 0.00 0.00 60.65 56.30 4rub s ILE 98 Cb 0.06 -2.93 -0.06 0.00 -1.58 0.00 0.00 42.46 37.95 4rub s ILE 98 CO 0.14 -0.62 0.65 0.00 -1.23 0.00 0.00 174.94 173.88 4rub s ALA 99 N 1.01 3.50 -0.15 9.38 0.00 0.16 -2.46 121.76 133.21 4rub s ALA 99 Ca 0.09 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 4rub s ALA 99 Cb -0.21 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 4rub s ALA 99 CO -0.06 0.28 -0.08 0.71 0.00 0.00 0.00 175.76 176.61 4rub s TYR 100 N -0.76 2.93 0.02 0.00 1.51 0.20 -1.05 117.35 120.21 4rub s TYR 100 Ca 0.32 -0.47 0.07 0.00 -1.01 0.00 0.00 57.07 55.99 4rub s TYR 100 Cb -0.20 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 4rub s TYR 100 CO 0.21 -0.13 -0.22 0.08 -1.11 0.00 0.00 175.55 174.38 4rub s VAL 101 N 0.41 1.76 -0.17 0.71 1.01 0.11 -1.96 120.40 122.26 4rub s VAL 101 Ca -0.06 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 4rub s VAL 101 Cb -0.15 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 4rub s VAL 101 CO 0.04 0.34 -0.13 0.00 0.00 0.00 0.00 175.10 175.34 4rub s ALA 102 N -0.69 2.55 -0.16 5.51 0.00 0.12 0.46 121.76 129.55 4rub s ALA 102 Ca 0.08 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 4rub s ALA 102 Cb -0.09 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 4rub s ALA 102 CO 0.01 -0.15 -0.11 0.71 0.00 0.00 0.00 175.76 176.21 4rub s TYR 103 N 1.00 2.85 0.49 0.00 2.02 0.18 -1.12 117.35 122.77 4rub s TYR 103 Ca -0.02 -0.80 -0.21 0.00 -0.37 0.00 0.00 57.07 55.67 4rub s TYR 103 Cb -0.15 -1.92 -0.07 0.00 -0.40 0.00 0.00 41.96 39.43 4rub s TYR 103 CO -0.03 -0.35 1.13 -1.25 -1.57 0.00 0.00 175.55 173.49 4rub s PRO 104 N 0.71 3.63 0.15 -1.71 0.04 -1.26 0.49 135.00 137.05 4rub s PRO 104 Ca -0.05 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 4rub s PRO 104 Cb -0.15 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 4rub s PRO 104 CO 0.02 -0.63 1.56 1.25 0.04 0.00 0.00 177.00 179.24 4rub h LEU 105 N 1.72 -1.60 0.00 -3.56 5.85 -1.94 -1.35 115.31 114.42 4rub h LEU 105 Ca -0.50 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.46 4rub h LEU 105 Cb 1.25 0.69 0.00 0.00 0.37 0.00 0.00 40.66 42.97 4rub h LEU 105 CO 0.59 -0.37 0.73 0.47 -0.34 0.00 0.00 178.44 179.52 4rub n ASP 106 N -5.40 0.00 -0.12 1.25 9.92 -1.26 -1.12 116.55 119.82 4rub n ASP 106 Ca -0.01 0.29 0.13 0.00 -0.53 0.00 0.00 54.79 54.66 4rub n ASP 106 Cb 0.35 0.00 0.32 0.00 -0.64 0.00 0.00 41.12 41.15 4rub n ASP 106 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 4rub n LEU 107 N -1.79 0.75 -4.36 0.64 4.77 -0.51 -4.92 117.00 111.58 4rub n LEU 107 Ca 0.00 -0.12 -0.32 0.00 -0.03 0.00 0.00 56.01 55.54 4rub n LEU 107 Cb 0.73 -0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 4rub n LEU 107 CO 0.00 0.16 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.35 4rub s PHE 108 N -2.75 2.56 0.14 -1.77 0.08 -0.27 -4.99 117.98 110.98 4rub s PHE 108 Ca 0.18 -0.45 -0.30 0.00 0.12 0.00 0.00 56.93 56.47 4rub s PHE 108 Cb 0.18 -1.62 -0.07 0.00 -0.57 0.00 0.00 43.02 40.94 4rub s PHE 108 CO 0.61 -0.04 1.19 -2.00 -0.10 0.00 0.00 175.22 174.89 4rub s GLU 109 N -0.39 4.48 0.76 0.44 2.12 -1.26 -4.98 118.70 119.86 4rub s GLU 109 Ca 0.04 1.83 -0.13 0.00 0.36 0.00 0.00 54.97 57.07 4rub s GLU 109 Cb -0.12 -3.28 0.05 0.00 0.26 0.00 0.00 34.13 31.04 4rub s GLU 109 CO 0.02 -0.14 1.13 -1.21 -0.54 0.00 0.00 175.26 174.52 4rub s GLU 110 N 0.23 2.15 0.00 4.30 8.01 -1.26 -3.41 118.70 128.72 4rub s GLU 110 Ca 0.55 1.42 0.00 0.00 0.01 0.00 0.00 54.97 56.95 4rub s GLU 110 Cb -0.31 -1.87 0.00 0.00 -4.31 0.00 0.00 34.13 27.64 4rub s GLU 110 CO 0.34 -1.76 0.00 0.41 0.01 0.00 0.00 175.26 174.26 4rub n GLY 111 N -0.42 0.00 3.13 -1.39 0.00 -1.21 -4.96 105.19 100.35 4rub n GLY 111 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 4rub n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4rub s SER 112 N -1.55 5.43 0.26 1.61 0.15 -1.22 -4.88 113.70 113.50 4rub s SER 112 Ca 0.00 -2.59 -0.02 0.00 0.70 0.00 0.00 55.95 54.04 4rub s SER 112 Cb 0.00 -1.90 0.46 0.00 -1.71 0.00 0.00 66.02 62.88 4rub s SER 112 CO 0.00 -0.45 1.83 0.58 1.20 0.00 0.00 173.24 176.40 4rub h VAL 113 N 5.52 0.94 -0.69 4.45 2.07 -1.92 -1.05 116.25 125.57 4rub h VAL 113 Ca -0.05 -0.32 0.14 0.00 0.82 0.00 0.00 66.70 67.29 4rub h VAL 113 Cb 0.99 -0.08 -0.13 0.00 -1.52 0.00 0.00 31.29 30.55 4rub h VAL 113 CO 0.73 0.17 -0.18 0.74 0.02 0.00 0.00 177.57 179.05 4rub h THR 114 N 0.94 0.30 0.61 2.57 2.02 -1.92 -0.94 112.91 116.49 4rub h THR 114 Ca 0.45 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.60 4rub h THR 114 Cb 0.38 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 4rub h THR 114 CO -0.24 0.00 -0.32 -1.13 0.37 0.00 0.00 175.52 174.20 4rub h ASN 115 N -0.01 -0.76 -0.71 4.18 -0.73 -1.56 -1.63 115.58 114.36 4rub h ASN 115 Ca 0.33 0.03 0.12 0.00 1.87 0.00 0.00 56.30 58.65 4rub h ASN 115 Cb 0.51 0.21 -0.13 0.00 0.27 0.00 0.00 38.32 39.18 4rub h ASN 115 CO -0.71 -0.52 -0.36 -0.03 -0.37 0.00 0.00 177.43 175.43 4rub h MET 116 N -0.85 -0.12 -0.18 6.67 4.05 -0.99 0.16 114.93 123.68 4rub h MET 116 Ca -0.08 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 4rub h MET 116 Cb 0.66 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 4rub h MET 116 CO 0.12 -0.08 -0.08 0.74 0.23 0.00 0.00 176.91 177.85 4rub h PHE 117 N -0.12 0.29 -0.21 1.39 -1.00 -1.23 -2.30 116.94 113.76 4rub h PHE 117 Ca 0.26 -0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.95 4rub h PHE 117 Cb 0.56 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 4rub h PHE 117 CO -0.72 0.37 -0.14 1.15 -1.61 0.00 0.00 178.31 177.36 4rub h THR 118 N 0.27 1.21 0.00 -1.55 2.02 0.34 -2.31 112.91 112.89 4rub h THR 118 Ca 0.06 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.30 4rub h THR 118 Cb 0.32 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 4rub h THR 118 CO 0.02 0.30 0.00 -1.20 0.37 0.00 0.00 175.52 175.00 4rub n SER 119 N -4.23 0.00 -0.23 4.18 7.64 -0.95 -2.19 113.62 117.85 4rub n SER 119 Ca -0.00 0.38 0.29 0.00 1.01 0.00 0.00 58.87 60.55 4rub n SER 119 Cb 0.30 -0.33 0.69 0.00 -1.01 0.00 0.00 64.21 63.86 4rub n SER 119 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 4rub h ILE 120 N 0.00 0.53 0.00 0.44 2.04 -1.52 -2.97 117.51 116.03 4rub h ILE 120 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 4rub h ILE 120 Cb 0.00 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 4rub h ILE 120 CO 0.00 0.01 0.00 0.52 0.00 0.00 0.00 178.15 178.68 4rub n VAL 121 N -4.31 0.38 0.00 1.67 0.31 -0.88 -4.88 118.33 110.63 4rub n VAL 121 Ca 0.21 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 4rub n VAL 121 Cb 0.99 0.96 0.00 0.00 -0.91 0.00 0.00 33.84 34.88 4rub n VAL 121 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4rub n GLY 122 N -0.19 -2.83 0.01 2.92 0.00 -0.93 -4.68 105.19 99.49 4rub n GLY 122 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.24 4rub n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 4rub n ASN 123 N -1.80 3.78 0.08 1.61 3.02 -1.26 -4.77 115.26 115.92 4rub n ASN 123 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.73 4rub n ASN 123 Cb 0.00 1.13 0.72 0.00 -0.61 0.00 0.00 39.78 41.02 4rub n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 4rub h VAL 124 N 0.00 0.66 0.00 2.41 -1.51 -1.83 -2.24 116.25 113.73 4rub h VAL 124 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 4rub h VAL 124 Cb 0.44 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 4rub h VAL 124 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 4rub n PHE 125 N -4.19 0.11 -0.89 5.19 3.01 -1.26 -1.72 117.46 117.71 4rub n PHE 125 Ca 0.07 0.05 0.08 0.00 1.01 0.00 0.00 57.45 58.66 4rub n PHE 125 Cb 0.50 -0.58 0.21 0.00 -0.01 0.00 0.00 39.48 39.60 4rub n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 4rub n GLY 126 N -0.62 4.06 3.74 1.37 0.00 -0.84 -4.78 105.19 108.12 4rub n GLY 126 Ca 0.02 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 4rub n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 4rub n PHE 127 N -0.62 2.58 -0.06 1.61 3.01 -0.70 -4.92 117.46 118.36 4rub n PHE 127 Ca 0.18 0.47 -0.11 0.00 1.01 0.00 0.00 57.45 59.00 4rub n PHE 127 Cb 0.76 -2.45 -0.05 0.00 -0.01 0.00 0.00 39.48 37.74 4rub n PHE 127 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 4rub h LYS 128 N 2.42 0.30 0.00 -1.08 1.57 -1.95 -2.75 116.57 115.07 4rub h LYS 128 Ca -0.49 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 4rub h LYS 128 Cb 1.27 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.54 4rub h LYS 128 CO 0.62 0.42 0.24 0.00 -0.57 0.00 0.00 179.45 180.16 4rub n ALA 129 N -2.27 0.54 -2.53 3.86 0.00 -1.26 -4.54 120.51 114.31 4rub n ALA 129 Ca -0.04 0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 4rub n ALA 129 Cb 0.16 -0.56 -0.09 0.00 0.00 0.00 0.00 19.45 18.96 4rub n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 4rub s LEU 130 N -2.72 2.85 -0.00 0.00 1.43 -1.04 -2.88 118.68 116.32 4rub s LEU 130 Ca -0.00 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.13 4rub s LEU 130 Cb 0.00 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 4rub s LEU 130 CO 0.01 -0.11 0.04 -2.11 0.23 0.00 0.00 176.35 174.42 4rub n ARG 131 N -0.81 1.78 -3.60 1.70 1.85 -0.66 -4.78 116.66 112.14 4rub n ARG 131 Ca -0.05 -0.01 -0.14 0.00 -1.00 0.00 0.00 57.85 56.65 4rub n ARG 131 Cb 0.61 -0.91 -0.07 0.00 -1.05 0.00 0.00 32.46 31.04 4rub n ARG 131 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 4rub s ALA 132 N -1.85 -1.81 0.04 2.89 0.00 -1.15 -5.07 121.76 114.80 4rub s ALA 132 Ca -0.00 1.81 -0.05 0.00 0.00 0.00 0.00 51.96 53.73 4rub s ALA 132 Cb 0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 4rub s ALA 132 CO 0.07 -0.33 0.07 -1.17 0.00 0.00 0.00 175.76 174.40 4rub s LEU 133 N -0.10 1.91 -0.28 0.00 2.96 -1.24 -2.61 118.68 119.32 4rub s LEU 133 Ca -0.02 -0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 53.14 4rub s LEU 133 Cb -0.04 0.52 0.09 0.00 0.50 0.00 0.00 46.19 47.26 4rub s LEU 133 CO 0.02 -0.49 0.74 -0.60 -1.32 0.00 0.00 176.35 174.70 4rub s ARG 134 N -2.60 0.69 -0.10 1.98 3.52 -1.15 -2.08 118.95 119.21 4rub s ARG 134 Ca -0.05 1.10 -0.18 0.00 -0.13 0.00 0.00 55.73 56.47 4rub s ARG 134 Cb -0.01 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.52 4rub s ARG 134 CO -0.05 -0.13 0.47 -1.17 -0.81 0.00 0.00 175.30 173.62 4rub s LEU 135 N 1.32 4.31 -0.18 -0.88 2.96 0.23 -0.43 118.68 126.01 4rub s LEU 135 Ca -0.08 0.85 0.07 0.00 -0.22 0.00 0.00 54.13 54.76 4rub s LEU 135 Cb -0.05 -2.69 -0.16 0.00 0.50 0.00 0.00 46.19 43.79 4rub s LEU 135 CO -0.15 0.05 -0.08 -0.62 -1.32 0.00 0.00 176.35 174.23 4rub n GLU 136 N 3.40 0.91 -3.49 1.98 -0.58 -0.77 -0.68 120.64 121.41 4rub n GLU 136 Ca -0.08 0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.63 4rub n GLU 136 Cb 0.52 -1.41 -0.02 0.00 -0.57 0.00 0.00 31.44 29.96 4rub n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 4rub s ASP 137 N -5.52 -0.44 -0.07 1.62 2.15 -1.19 -4.60 116.67 108.63 4rub s ASP 137 Ca -0.19 -0.04 -0.05 0.00 0.43 0.00 0.00 52.55 52.71 4rub s ASP 137 Cb 0.06 0.49 0.03 0.00 -0.30 0.00 0.00 42.92 43.20 4rub s ASP 137 CO 0.55 -0.80 0.17 -0.76 -0.17 0.00 0.00 175.17 174.16 4rub s LEU 138 N -2.63 1.07 -0.47 -1.34 1.43 -1.26 -0.75 118.68 114.73 4rub s LEU 138 Ca 0.04 0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 53.32 4rub s LEU 138 Cb -0.01 0.53 0.06 0.00 0.03 0.00 0.00 46.19 46.79 4rub s LEU 138 CO -0.10 -0.10 0.45 -0.60 0.23 0.00 0.00 176.35 176.24 4rub s ARG 139 N 0.55 3.03 -0.32 1.70 3.52 0.64 -4.94 118.95 123.12 4rub s ARG 139 Ca -0.04 -1.14 -0.21 0.00 -0.13 0.00 0.00 55.73 54.21 4rub s ARG 139 Cb -0.05 -4.09 -0.00 0.00 -1.56 0.00 0.00 34.95 29.24 4rub s ARG 139 CO -0.03 -1.03 0.68 0.42 -0.81 0.00 0.00 175.30 174.53 4rub s ILE 140 N 1.95 4.87 0.62 4.11 -1.09 -1.26 -2.92 121.20 127.49 4rub s ILE 140 Ca 0.08 0.89 -0.17 0.00 -2.23 0.00 0.00 60.65 59.22 4rub s ILE 140 Cb -0.22 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 4rub s ILE 140 CO 0.09 -0.22 1.16 -2.16 -1.23 0.00 0.00 174.94 172.58 4rub s PRO 141 N 2.76 2.87 0.54 2.79 0.04 -1.26 -4.67 135.00 138.07 4rub s PRO 141 Ca 0.27 1.63 0.23 0.00 0.04 0.00 0.00 61.00 63.18 4rub s PRO 141 Cb -0.14 -1.94 1.41 0.00 0.04 0.00 0.00 34.50 33.87 4rub s PRO 141 CO 0.13 -1.24 2.06 -1.35 0.04 0.00 0.00 177.00 176.64 4rub h PRO 142 N 0.51 0.00 0.00 0.56 0.11 -1.84 0.21 132.00 131.55 4rub h PRO 142 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 4rub h PRO 142 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 4rub h PRO 142 CO 0.54 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 4rub n ALA 143 N -2.55 2.06 -0.04 -0.75 0.00 -1.26 -1.30 120.51 116.68 4rub n ALA 143 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 4rub n ALA 143 Cb 0.40 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 4rub n ALA 143 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 4rub n TYR 144 N -1.29 0.00 -0.01 0.00 9.36 0.12 -4.52 117.16 120.82 4rub n TYR 144 Ca 0.10 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.20 4rub n TYR 144 Cb 0.16 -0.35 -0.06 0.00 -0.63 0.00 0.00 39.34 38.47 4rub n TYR 144 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 4rub h VAL 145 N 0.00 1.09 0.00 2.97 2.07 -0.31 -2.44 116.25 119.63 4rub h VAL 145 Ca -0.19 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.08 4rub h VAL 145 Cb 1.42 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 4rub h VAL 145 CO 0.00 0.08 0.11 0.29 0.02 0.00 0.00 177.57 178.08 4rub n LYS 146 N -4.96 0.03 -0.21 1.57 4.76 -0.42 -0.60 118.16 118.33 4rub n LYS 146 Ca -0.05 0.44 0.06 0.00 -2.87 0.00 0.00 58.31 55.89 4rub n LYS 146 Cb 0.07 -1.70 0.16 0.00 -1.84 0.00 0.00 35.03 31.73 4rub n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 4rub n THR 147 N -1.57 0.56 -4.42 -0.18 -2.24 -0.92 -4.87 114.28 100.64 4rub n THR 147 Ca -0.00 -0.51 -0.24 0.00 -2.27 0.00 0.00 64.05 61.03 4rub n THR 147 Cb 0.12 0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 4rub n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 4rub s PHE 148 N -1.54 2.42 -0.06 4.78 0.40 0.23 -3.30 117.98 120.90 4rub s PHE 148 Ca 0.25 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.22 4rub s PHE 148 Cb 0.13 -1.10 -0.27 0.00 0.51 0.00 0.00 43.02 42.29 4rub s PHE 148 CO 0.16 0.67 0.59 0.37 0.70 0.00 0.00 175.22 177.71 4rub h GLN 149 N 2.12 0.25 0.00 0.44 4.15 -1.87 -3.51 115.11 116.70 4rub h GLN 149 Ca -0.41 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 58.57 4rub h GLN 149 Cb 1.26 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.11 4rub h GLN 149 CO 0.61 1.11 0.00 0.41 -1.93 0.00 0.00 178.83 179.03 4rub n GLY 150 N 1.82 -0.93 3.78 2.39 0.00 -1.19 -4.85 105.19 106.21 4rub n GLY 150 Ca -0.24 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 4rub n GLY 150 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 4rub s PRO 151 N 0.00 4.12 0.24 1.61 0.02 -1.26 -4.23 135.00 135.50 4rub s PRO 151 Ca 0.00 2.55 -0.07 0.00 0.02 0.00 0.00 61.00 63.50 4rub s PRO 151 Cb 0.00 -2.98 0.42 0.00 0.02 0.00 0.00 34.50 31.96 4rub s PRO 151 CO 0.00 -0.52 1.65 -1.35 -0.33 0.00 0.00 177.00 176.44 4rub h PRO 152 N 3.16 0.12 0.00 5.54 0.11 -1.82 -3.40 132.00 135.71 4rub h PRO 152 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 4rub h PRO 152 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 4rub h PRO 152 CO 0.65 0.08 -0.44 0.72 -0.21 0.00 0.00 178.00 178.81 4rub n HIS 153 N -5.31 0.00 0.00 0.65 8.25 -1.26 -4.77 115.22 112.78 4rub n HIS 153 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 4rub n HIS 153 Cb 0.45 0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.66 4rub n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 4rub n GLY 154 N 2.30 -1.72 0.33 -1.41 0.00 -1.26 -4.31 105.19 99.12 4rub n GLY 154 Ca 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.53 4rub n GLY 154 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 4rub n ILE 155 N -0.83 -0.52 0.08 -0.61 5.41 -0.91 -0.70 119.36 121.28 4rub n ILE 155 Ca 0.00 1.94 -0.08 0.00 1.00 0.00 0.00 62.75 65.61 4rub n ILE 155 Cb 0.00 -2.43 -0.04 0.00 -0.71 0.00 0.00 39.64 36.46 4rub n ILE 155 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 4rub h GLN 156 N 0.00 -0.37 -0.79 0.38 4.15 -1.88 -0.19 115.11 116.40 4rub h GLN 156 Ca 0.16 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.66 4rub h GLN 156 Cb 0.36 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.09 4rub h GLN 156 CO -0.77 -0.25 0.52 0.28 -1.93 0.00 0.00 178.83 176.68 4rub h VAL 157 N -0.39 1.05 -0.32 2.39 2.07 -1.68 0.41 116.25 119.78 4rub h VAL 157 Ca -0.01 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 4rub h VAL 157 Cb 0.37 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 4rub h VAL 157 CO -0.09 0.16 0.18 -0.08 0.02 0.00 0.00 177.57 177.76 4rub h GLU 158 N 0.87 0.44 0.02 1.57 4.81 -0.73 0.13 114.58 121.69 4rub h GLU 158 Ca 0.34 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 4rub h GLU 158 Cb 0.21 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.50 4rub h GLU 158 CO -0.11 0.35 -0.01 0.00 -0.73 0.00 0.00 179.01 178.51 4rub h ARG 159 N 0.40 -0.02 -1.01 1.92 3.08 0.06 -1.64 114.38 117.17 4rub h ARG 159 Ca 0.11 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.43 4rub h ARG 159 Cb 0.03 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.96 4rub h ARG 159 CO -0.02 0.16 0.59 -0.44 -1.07 0.00 0.00 179.97 179.20 4rub h ASP 160 N -0.20 0.63 0.08 7.04 3.32 0.04 0.68 116.42 128.01 4rub h ASP 160 Ca -0.00 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 4rub h ASP 160 Cb 0.19 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.80 4rub h ASP 160 CO 0.00 0.05 -0.04 0.11 -1.72 0.00 0.00 179.24 177.65 4rub h LYS 161 N 0.52 -0.10 0.00 3.56 1.79 -0.45 -3.25 116.57 118.64 4rub h LYS 161 Ca 0.66 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.14 4rub h LYS 161 Cb 1.34 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 4rub h LYS 161 CO -0.50 0.44 0.00 1.28 -1.08 0.00 0.00 179.45 179.60 4rub n LEU 162 N -4.84 0.10 -1.84 2.94 4.77 -0.66 -4.92 117.00 112.54 4rub n LEU 162 Ca -0.08 0.51 -0.14 0.00 -0.03 0.00 0.00 56.01 56.28 4rub n LEU 162 Cb 0.30 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 4rub n LEU 162 CO 0.29 -0.12 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.00 4rub n ASN 163 N -1.60 -4.29 -4.19 -1.43 4.05 0.23 -4.66 115.26 103.38 4rub n ASN 163 Ca 0.06 -0.14 -0.33 0.00 0.45 0.00 0.00 54.58 54.61 4rub n ASN 163 Cb 0.29 -3.23 -0.16 0.00 1.23 0.00 0.00 39.78 37.91 4rub n ASN 163 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 4rub s LYS 164 N -5.12 3.11 0.16 1.20 1.02 -0.67 -5.04 119.74 114.41 4rub s LYS 164 Ca 0.15 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.41 4rub s LYS 164 Cb -0.06 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 4rub s LYS 164 CO 0.18 -0.14 -0.11 0.71 -0.92 0.00 0.00 175.35 175.07 4rub s TYR 165 N 1.18 1.36 -0.52 3.18 2.02 -1.26 -4.65 117.35 118.66 4rub s TYR 165 Ca 0.02 -0.72 -0.22 0.00 -0.37 0.00 0.00 57.07 55.78 4rub s TYR 165 Cb -0.14 -0.68 0.03 0.00 -0.40 0.00 0.00 41.96 40.78 4rub s TYR 165 CO -0.07 0.14 0.64 0.41 -1.57 0.00 0.00 175.55 175.10 4rub n GLY 166 N -0.24 -0.69 0.00 0.71 0.00 -1.26 -5.00 105.19 98.70 4rub n GLY 166 Ca -0.10 1.06 0.00 0.00 0.00 0.00 0.00 46.02 46.98 4rub n GLY 166 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 4rub n ARG 167 N -0.72 0.00 -1.76 1.61 1.85 -1.26 -5.07 116.66 111.31 4rub n ARG 167 Ca -0.04 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.42 4rub n ARG 167 Cb 0.59 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 32.02 4rub n ARG 167 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 4rub n PRO 168 N -1.97 2.22 -2.90 2.89 -0.02 -0.79 -4.67 135.00 129.76 4rub n PRO 168 Ca 0.00 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 61.94 4rub n PRO 168 Cb 0.00 -2.64 -0.07 0.00 -0.02 0.00 0.00 33.50 30.77 4rub n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 4rub s LEU 169 N -2.77 4.04 0.05 2.45 2.01 -0.06 -4.91 118.68 119.49 4rub s LEU 169 Ca 0.62 1.60 0.06 0.00 0.01 0.00 0.00 54.13 56.43 4rub s LEU 169 Cb -0.44 -4.32 -0.03 0.00 0.01 0.00 0.00 46.19 41.40 4rub s LEU 169 CO 0.57 -0.27 -0.14 -0.76 1.01 0.00 0.00 176.35 176.76 4rub s LEU 170 N -2.93 2.82 0.17 1.79 1.43 -1.26 -0.49 118.68 120.20 4rub s LEU 170 Ca 0.58 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 4rub s LEU 170 Cb -0.11 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.47 4rub s LEU 170 CO 0.16 0.24 0.36 -0.83 0.23 0.00 0.00 176.35 176.51 4rub s GLY 171 N -1.66 0.21 0.00 -3.19 0.00 0.50 -0.75 107.32 102.43 4rub s GLY 171 Ca 0.17 -0.59 -0.00 0.00 0.00 0.00 0.00 44.72 44.30 4rub s GLY 171 CO 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 173.10 172.57 4rub s THR 173 N -0.04 5.21 0.45 0.00 2.01 -1.26 -1.08 115.64 120.93 4rub s THR 173 Ca -0.00 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.71 4rub s THR 173 Cb -0.00 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.63 4rub s THR 173 CO -0.00 -0.06 1.10 -0.38 -0.69 0.00 0.00 174.62 174.59 4rub n ILE 174 N 5.19 2.68 -4.21 1.82 2.08 -1.16 -4.37 119.36 121.39 4rub n ILE 174 Ca -0.10 -0.50 -0.13 0.00 0.56 0.00 0.00 62.75 62.57 4rub n ILE 174 Cb 0.49 -1.30 -0.10 0.00 -0.75 0.00 0.00 39.64 37.98 4rub n ILE 174 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 4rub s LYS 175 N -2.19 0.94 0.78 0.38 -0.14 -1.26 -4.60 119.74 113.65 4rub s LYS 175 Ca 0.64 -1.35 -0.14 0.00 -1.36 0.00 0.00 55.97 53.76 4rub s LYS 175 Cb -0.52 -0.48 0.07 0.00 -1.68 0.00 0.00 37.83 35.22 4rub s LYS 175 CO 0.56 0.05 1.22 -1.25 -0.76 0.00 0.00 175.35 175.17 4rub s PRO 176 N -3.55 1.81 0.02 -1.68 0.04 -1.26 -5.06 135.00 125.32 4rub s PRO 176 Ca 0.13 1.80 -0.05 0.00 0.04 0.00 0.00 61.00 62.92 4rub s PRO 176 Cb 0.02 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 4rub s PRO 176 CO -0.01 -2.10 1.09 0.87 0.04 0.00 0.00 177.00 176.89 4rub h LYS 177 N -0.64 -0.07 -6.12 4.56 1.57 -1.98 -3.44 116.57 110.45 4rub h LYS 177 Ca -0.47 0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 57.73 4rub h LYS 177 Cb 1.30 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.52 4rub h LYS 177 CO 0.47 -0.05 -0.66 -0.51 -0.57 0.00 0.00 179.45 178.13 4rub s LEU 178 N -6.13 2.93 0.00 2.94 2.01 -1.26 -4.76 118.68 114.41 4rub s LEU 178 Ca -0.02 -0.91 0.00 0.00 0.01 0.00 0.00 54.13 53.20 4rub s LEU 178 Cb 0.01 -1.37 0.00 0.00 0.01 0.00 0.00 46.19 44.84 4rub s LEU 178 CO 0.10 -0.10 0.00 0.61 1.01 0.00 0.00 176.35 177.97 4rub n GLY 179 N -0.84 0.34 3.84 -3.19 0.00 -1.26 -5.11 105.19 98.96 4rub n GLY 179 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 4rub n GLY 179 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 4rub s LEU 180 N 0.00 4.15 0.34 0.99 2.96 -1.26 -5.06 118.68 120.80 4rub s LEU 180 Ca 0.00 1.33 -0.07 0.00 -0.22 0.00 0.00 54.13 55.17 4rub s LEU 180 Cb 0.00 -3.93 -0.06 0.00 0.50 0.00 0.00 46.19 42.70 4rub s LEU 180 CO 0.00 -0.13 0.64 -0.94 -1.32 0.00 0.00 176.35 174.60 4rub s SER 181 N -2.08 6.47 0.25 3.68 1.04 -1.26 -4.57 113.70 117.22 4rub s SER 181 Ca 0.51 0.87 -0.08 0.00 0.48 0.00 0.00 55.95 57.73 4rub s SER 181 Cb -0.12 -2.21 0.41 0.00 0.10 0.00 0.00 66.02 64.20 4rub s SER 181 CO 0.18 -0.28 1.60 0.00 0.98 0.00 0.00 173.24 175.73 4rub h ALA 182 N 1.48 0.67 -0.79 5.32 0.00 -1.94 0.21 119.26 124.22 4rub h ALA 182 Ca -0.47 0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.74 4rub h ALA 182 Cb 1.19 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 4rub h ALA 182 CO 0.65 -0.43 0.52 -0.22 0.00 0.00 0.00 179.25 179.78 4rub h LYS 183 N 0.03 1.05 -0.08 0.00 3.64 -1.92 -1.98 116.57 117.31 4rub h LYS 183 Ca 0.42 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 4rub h LYS 183 Cb 0.70 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 4rub h LYS 183 CO -0.79 0.70 -0.28 -0.91 -2.27 0.00 0.00 179.45 175.89 4rub h ASN 184 N 1.08 0.15 -0.76 4.20 2.35 -1.07 -1.79 115.58 119.74 4rub h ASN 184 Ca 0.29 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 4rub h ASN 184 Cb -0.12 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 4rub h ASN 184 CO -0.06 0.44 0.24 0.22 -1.65 0.00 0.00 177.43 176.62 4rub h TYR 185 N 0.14 1.21 -0.34 1.19 5.03 -0.17 0.26 116.97 124.28 4rub h TYR 185 Ca 0.02 -0.12 -0.12 0.00 2.58 0.00 0.00 58.73 61.09 4rub h TYR 185 Cb 0.58 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 4rub h TYR 185 CO 0.01 0.95 -0.27 0.78 -1.32 0.00 0.00 178.16 178.30 4rub h GLY 186 N 1.13 0.76 0.73 1.82 0.00 -1.02 -0.39 103.07 106.09 4rub h GLY 186 Ca 0.25 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 4rub h GLY 186 CO -0.01 0.62 -0.35 -0.09 0.00 0.00 0.00 176.54 176.71 4rub h ARG 187 N 0.61 -0.94 -1.01 4.80 2.43 -0.71 -0.08 114.38 119.48 4rub h ARG 187 Ca 0.08 0.06 0.24 0.00 -0.81 0.00 0.00 59.98 59.55 4rub h ARG 187 Cb 0.77 0.21 -0.10 0.00 -0.42 0.00 0.00 29.97 30.44 4rub h ARG 187 CO 0.06 -0.63 0.63 0.00 -1.51 0.00 0.00 179.97 178.52 4rub h ALA 188 N -1.55 1.99 -0.11 2.80 0.00 -0.47 -1.57 119.26 120.35 4rub h ALA 188 Ca -0.10 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 4rub h ALA 188 Cb 0.75 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 4rub h ALA 188 CO 0.16 -0.39 -0.05 0.28 0.00 0.00 0.00 179.25 179.25 4rub h VAL 189 N 0.53 1.32 -0.08 0.00 2.07 -0.58 -0.22 116.25 119.29 4rub h VAL 189 Ca 0.59 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 67.04 4rub h VAL 189 Cb 1.26 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 4rub h VAL 189 CO -0.35 0.31 0.04 0.22 0.02 0.00 0.00 177.57 177.81 4rub h TYR 190 N -0.12 0.07 0.42 1.57 3.20 -0.49 0.18 116.97 121.80 4rub h TYR 190 Ca 0.02 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 4rub h TYR 190 Cb 0.51 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 4rub h TYR 190 CO 0.07 0.04 -0.49 0.93 -1.64 0.00 0.00 178.16 177.07 4rub h GLU 191 N 0.09 -0.90 -0.10 1.82 4.39 -1.32 0.51 114.58 119.07 4rub h GLU 191 Ca 0.03 0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.84 4rub h GLU 191 Cb 0.00 0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 4rub h GLU 191 CO -0.02 -0.60 -0.34 0.00 -1.16 0.00 0.00 179.01 176.89 4rub h LEU 193 N -0.43 -0.11 -1.62 0.00 4.07 -0.21 -1.98 115.31 115.02 4rub h LEU 193 Ca 0.08 0.10 0.08 0.00 0.08 0.00 0.00 57.88 58.22 4rub h LEU 193 Cb 0.57 0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 4rub h LEU 193 CO -0.34 -0.02 0.38 0.08 -1.08 0.00 0.00 178.44 177.46 4rub h ARG 194 N 0.16 0.43 -0.06 1.13 0.11 0.17 -1.96 114.38 114.36 4rub h ARG 194 Ca 0.23 -0.03 0.02 0.00 0.10 0.00 0.00 59.98 60.30 4rub h ARG 194 Cb 0.32 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.30 4rub h ARG 194 CO -0.34 0.28 0.05 0.78 0.10 0.00 0.00 179.97 180.84 4rub h GLY 195 N 0.44 0.00 0.00 0.08 0.00 -1.32 -3.46 103.07 98.81 4rub h GLY 195 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 4rub h GLY 195 CO -0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.08 4rub n GLY 196 N -1.44 0.78 3.85 4.60 0.00 -0.74 -2.91 105.19 109.33 4rub n GLY 196 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 4rub n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4rub s LEU 197 N 0.00 3.82 -0.01 0.99 1.02 -1.23 -4.79 118.68 118.48 4rub s LEU 197 Ca 0.00 1.40 -0.06 0.00 0.02 0.00 0.00 54.13 55.49 4rub s LEU 197 Cb 0.00 -4.28 -0.29 0.00 0.02 0.00 0.00 46.19 41.64 4rub s LEU 197 CO 0.00 -0.42 0.80 0.44 0.02 0.00 0.00 176.35 177.19 4rub h ASP 198 N 1.44 0.47 -4.11 2.29 3.32 -1.27 -3.44 116.42 115.12 4rub h ASP 198 Ca -0.47 -0.66 -0.28 0.00 0.02 0.00 0.00 57.03 55.63 4rub h ASP 198 Cb 1.18 -0.15 -0.26 0.00 0.22 0.00 0.00 39.33 40.32 4rub h ASP 198 CO 0.63 1.56 -0.74 -0.36 -1.72 0.00 0.00 179.24 178.61 4rub s PHE 199 N -2.60 0.38 0.40 4.55 0.08 -1.13 -2.43 117.98 117.23 4rub s PHE 199 Ca -0.11 -0.18 0.07 0.00 0.12 0.00 0.00 56.93 56.83 4rub s PHE 199 Cb 0.06 -0.24 -0.08 0.00 -0.57 0.00 0.00 43.02 42.19 4rub s PHE 199 CO 0.86 -0.03 0.00 0.95 -0.10 0.00 0.00 175.22 176.89 4rub s THR 200 N -0.43 1.98 0.22 0.64 -4.23 -1.14 -1.36 115.64 111.32 4rub s THR 200 Ca -0.02 -2.02 -0.19 0.00 -1.18 0.00 0.00 61.69 58.27 4rub s THR 200 Cb -0.04 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.89 4rub s THR 200 CO -0.00 -0.03 0.59 -1.59 -0.54 0.00 0.00 174.62 173.05 4rub s LYS 201 N -3.71 1.50 0.46 3.99 -2.85 -0.24 -0.96 119.74 117.94 4rub s LYS 201 Ca 0.35 -0.87 -0.20 0.00 -1.00 0.00 0.00 55.97 54.24 4rub s LYS 201 Cb 0.09 0.55 -0.10 0.00 -2.06 0.00 0.00 37.83 36.32 4rub s LYS 201 CO 0.18 -0.66 0.98 -0.51 0.10 0.00 0.00 175.35 175.44 4rub s ASP 202 N -2.88 6.73 0.27 0.03 1.11 -1.07 -3.01 116.67 117.85 4rub s ASP 202 Ca 0.10 1.74 -0.27 0.00 0.18 0.00 0.00 52.55 54.30 4rub s ASP 202 Cb -0.02 -2.54 -0.09 0.00 1.07 0.00 0.00 42.92 41.33 4rub s ASP 202 CO -0.00 -0.51 0.91 -0.62 1.18 0.00 0.00 175.17 176.13 4rub s ASP 203 N -2.24 7.42 0.51 0.27 -1.08 -1.26 -4.86 116.67 115.43 4rub s ASP 203 Ca 0.63 1.83 0.20 0.00 -0.52 0.00 0.00 52.55 54.68 4rub s ASP 203 Cb -0.11 -2.57 1.08 0.00 -1.46 0.00 0.00 42.92 39.86 4rub s ASP 203 CO 0.17 0.04 1.56 1.05 0.52 0.00 0.00 175.17 178.51 4rub h GLU 204 N 3.61 0.00 -0.37 4.34 9.09 -1.95 0.96 114.58 130.25 4rub h GLU 204 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 4rub h GLU 204 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 4rub h GLU 204 CO 0.66 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.99 4rub n ASN 205 N -2.47 4.07 -4.42 3.06 6.94 -1.26 -4.82 115.26 116.36 4rub n ASN 205 Ca -0.01 -2.72 -0.44 0.00 -0.02 0.00 0.00 54.58 51.39 4rub n ASN 205 Cb 0.40 -0.51 -0.04 0.00 -2.36 0.00 0.00 39.78 37.28 4rub n ASN 205 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 4rub s VAL 206 N -2.31 4.55 0.00 3.53 1.01 0.33 -4.89 120.40 122.61 4rub s VAL 206 Ca 0.41 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.74 4rub s VAL 206 Cb 0.31 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 32.09 4rub s VAL 206 CO 0.13 -1.31 0.00 0.59 0.00 0.00 0.00 175.10 174.52 4rub n ASN 207 N 7.08 0.00 -3.53 3.32 5.03 -1.26 -4.67 115.26 121.24 4rub n ASN 207 Ca -0.06 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.27 4rub n ASN 207 Cb 0.44 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.10 4rub n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 4rub s SER 208 N 0.52 0.28 0.24 6.41 0.15 -1.26 -3.47 113.70 116.56 4rub s SER 208 Ca 0.00 0.47 0.01 0.00 0.70 0.00 0.00 55.95 57.13 4rub s SER 208 Cb 0.00 0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 65.26 4rub s SER 208 CO 0.00 -0.27 0.14 -1.10 1.20 0.00 0.00 173.24 173.21 4rub s GLN 209 N 2.51 1.34 0.29 5.44 1.11 -0.32 -4.86 119.66 125.16 4rub s GLN 209 Ca 0.05 -1.73 0.00 0.00 0.01 0.00 0.00 55.36 53.70 4rub s GLN 209 Cb -0.14 0.10 0.51 0.00 -1.01 0.00 0.00 33.01 32.47 4rub s GLN 209 CO -0.13 -0.39 1.88 -1.35 0.01 0.00 0.00 175.29 175.31 4rub h PRO 210 N 2.47 1.03 0.00 2.91 0.11 -2.02 0.47 132.00 136.97 4rub h PRO 210 Ca -0.35 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 4rub h PRO 210 Cb 1.25 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 4rub h PRO 210 CO 0.54 0.68 -0.09 0.27 -0.21 0.00 0.00 178.00 179.18 4rub h PHE 211 N 1.06 0.00 -0.98 0.65 -5.15 -1.97 -3.43 116.94 107.12 4rub h PHE 211 Ca 0.44 0.00 0.18 0.00 -0.20 0.00 0.00 57.97 58.39 4rub h PHE 211 Cb 0.30 0.00 -0.25 0.00 0.22 0.00 0.00 35.95 36.22 4rub h PHE 211 CO -0.00 0.09 0.30 1.41 -2.00 0.00 0.00 178.31 178.12 4rub s MET 212 N -3.63 0.26 -0.02 6.09 0.00 0.15 -4.43 119.30 117.72 4rub s MET 212 Ca 0.01 0.62 -0.14 0.00 0.00 0.00 0.00 55.69 56.19 4rub s MET 212 Cb 0.09 0.33 -0.05 0.00 0.00 0.00 0.00 34.83 35.19 4rub s MET 212 CO 0.59 -0.08 0.37 1.03 0.00 0.00 0.00 175.02 176.93 4rub s ARG 213 N 2.19 3.88 0.29 4.11 0.52 -1.19 -1.18 118.95 127.59 4rub s ARG 213 Ca -0.03 0.33 0.03 0.00 -0.52 0.00 0.00 55.73 55.55 4rub s ARG 213 Cb -0.05 -3.23 0.74 0.00 0.52 0.00 0.00 34.95 32.93 4rub s ARG 213 CO -0.17 0.67 1.67 0.11 0.02 0.00 0.00 175.30 177.60 4rub h TRP 214 N 4.88 0.50 -0.11 -0.53 5.08 -1.88 -1.61 115.95 122.28 4rub h TRP 214 Ca -0.51 0.05 -0.05 0.00 1.08 0.00 0.00 58.89 59.45 4rub h TRP 214 Cb 1.22 -0.08 -0.01 0.00 -3.00 0.00 0.00 29.16 27.29 4rub h TRP 214 CO 0.71 -0.15 -0.17 -0.09 -1.28 0.00 0.00 178.44 177.46 4rub h ARG 215 N 0.28 0.18 0.18 0.12 2.43 -1.94 -0.70 114.38 114.94 4rub h ARG 215 Ca 0.57 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.68 4rub h ARG 215 Cb 1.13 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 4rub h ARG 215 CO -0.60 0.36 -0.09 -0.44 -1.51 0.00 0.00 179.97 177.69 4rub h ASP 216 N 0.17 -0.20 -0.55 -3.80 3.32 -1.73 -2.40 116.42 111.23 4rub h ASP 216 Ca 0.03 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.81 4rub h ASP 216 Cb 0.41 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 4rub h ASP 216 CO 0.03 0.23 0.33 -0.09 -1.72 0.00 0.00 179.24 178.02 4rub h ARG 217 N -0.70 0.64 -0.71 3.56 2.43 -1.20 -0.93 114.38 117.47 4rub h ARG 217 Ca -0.02 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 4rub h ARG 217 Cb 0.49 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 4rub h ARG 217 CO 0.04 0.42 0.45 0.74 -1.51 0.00 0.00 179.97 180.11 4rub h PHE 218 N 0.66 0.84 -0.10 2.20 -1.00 -1.06 0.63 116.94 119.11 4rub h PHE 218 Ca 0.22 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.02 4rub h PHE 218 Cb 0.03 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 39.31 4rub h PHE 218 CO -0.06 0.49 0.05 1.25 -1.61 0.00 0.00 178.31 178.42 4rub h LEU 219 N 0.88 0.13 -0.15 1.54 6.46 -0.99 -1.46 115.31 121.73 4rub h LEU 219 Ca 0.28 -0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.82 4rub h LEU 219 Cb 0.01 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 4rub h LEU 219 CO -0.11 0.23 -0.29 -0.26 -0.62 0.00 0.00 178.44 177.39 4rub h PHE 220 N 0.03 0.57 -0.03 1.25 0.04 -0.62 -2.14 116.94 116.05 4rub h PHE 220 Ca 0.03 -0.21 0.01 0.00 2.80 0.00 0.00 57.97 60.61 4rub h PHE 220 Cb 0.13 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 4rub h PHE 220 CO -0.03 0.91 0.05 0.00 -0.60 0.00 0.00 178.31 178.64 4rub h ALA 222 N 1.93 0.44 -0.26 0.00 0.00 -0.70 -0.61 119.26 120.06 4rub h ALA 222 Ca 0.01 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.60 4rub h ALA 222 Cb 0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 4rub h ALA 222 CO -0.00 0.41 -0.13 1.49 0.00 0.00 0.00 179.25 181.03 4rub h GLU 223 N 0.45 -0.09 0.03 0.00 4.81 -0.06 -1.74 114.58 117.98 4rub h GLU 223 Ca 0.06 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 4rub h GLU 223 Cb 0.79 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.19 4rub h GLU 223 CO 0.06 -0.06 -0.01 0.00 -0.73 0.00 0.00 179.01 178.27 4rub h ALA 224 N 1.11 -0.04 -0.06 2.92 0.00 -1.20 -0.74 119.26 121.26 4rub h ALA 224 Ca 0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 4rub h ALA 224 Cb 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 4rub h ALA 224 CO -0.32 -0.35 -0.21 1.37 0.00 0.00 0.00 179.25 179.75 4rub h LEU 225 N -0.37 0.09 -1.18 0.00 8.10 -1.03 0.20 115.31 121.12 4rub h LEU 225 Ca -0.00 -0.02 -0.07 0.00 0.11 0.00 0.00 57.88 57.89 4rub h LEU 225 Cb 0.35 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 4rub h LEU 225 CO 0.01 0.31 -0.22 1.88 -4.11 0.00 0.00 178.44 176.30 4rub h TYR 226 N 0.09 0.33 0.61 0.17 0.05 -1.12 0.11 116.97 117.21 4rub h TYR 226 Ca 0.02 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 4rub h TYR 226 Cb 0.42 -0.09 0.01 0.00 1.01 0.00 0.00 36.73 38.08 4rub h TYR 226 CO 0.00 0.51 -0.29 -0.22 -1.05 0.00 0.00 178.16 177.11 4rub h LYS 227 N 0.28 -0.79 -0.97 4.88 3.64 0.56 -2.78 116.57 121.38 4rub h LYS 227 Ca 0.05 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.67 4rub h LYS 227 Cb 0.54 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.45 4rub h LYS 227 CO 0.04 -0.53 0.61 0.00 -2.27 0.00 0.00 179.45 177.30 4rub h ALA 228 N -1.29 1.86 -0.16 5.00 0.00 -1.26 -0.14 119.26 123.27 4rub h ALA 228 Ca -0.08 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 4rub h ALA 228 Cb 0.63 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 4rub h ALA 228 CO 0.14 -0.19 -0.63 0.37 0.00 0.00 0.00 179.25 178.93 4rub h GLN 229 N 0.65 0.59 0.62 0.00 4.15 -0.77 -0.10 115.11 120.25 4rub h GLN 229 Ca 0.53 -0.42 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 4rub h GLN 229 Cb 0.97 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 4rub h GLN 229 CO -0.29 1.03 -0.37 0.00 -1.93 0.00 0.00 178.83 177.28 4rub h ALA 230 N 0.87 -0.94 0.12 3.38 0.00 -0.80 1.26 119.26 123.14 4rub h ALA 230 Ca -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.72 4rub h ALA 230 Cb 1.21 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 4rub h ALA 230 CO 0.12 -1.04 -0.49 1.49 0.00 0.00 0.00 179.25 179.32 4rub h GLU 231 N -0.93 -0.70 -0.06 0.00 4.81 -1.10 -2.98 114.58 113.62 4rub h GLU 231 Ca -0.08 0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.01 4rub h GLU 231 Cb 0.75 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 4rub h GLU 231 CO 0.09 -0.47 -0.76 1.79 -0.73 0.00 0.00 179.01 178.93 4rub h THR 232 N -0.73 1.39 0.00 0.32 1.35 -0.90 -3.47 112.91 110.87 4rub h THR 232 Ca 0.00 -2.20 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 4rub h THR 232 Cb 0.74 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 4rub h THR 232 CO -0.27 0.66 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 4rub n GLY 233 N 0.61 0.52 2.89 5.82 0.00 0.43 -5.03 105.19 110.43 4rub n GLY 233 Ca -0.04 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 4rub n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4rub s GLU 234 N -1.67 1.08 0.15 1.61 2.02 -1.14 -5.07 118.70 115.66 4rub s GLU 234 Ca 0.00 -0.14 -0.34 0.00 0.02 0.00 0.00 54.97 54.51 4rub s GLU 234 Cb 0.00 -1.13 -0.16 0.00 0.10 0.00 0.00 34.13 32.94 4rub s GLU 234 CO 0.00 -0.15 1.13 -0.89 0.02 0.00 0.00 175.26 175.36 4rub n ILE 235 N 4.45 0.79 -4.53 -1.63 5.41 -1.26 -4.59 119.36 118.00 4rub n ILE 235 Ca -0.18 -0.20 -0.25 0.00 1.00 0.00 0.00 62.75 63.12 4rub n ILE 235 Cb 0.51 -0.70 -0.11 0.00 -0.71 0.00 0.00 39.64 38.63 4rub n ILE 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 4rub s LYS 236 N -0.30 1.78 0.06 0.38 -0.14 -1.26 -4.93 119.74 115.33 4rub s LYS 236 Ca 0.75 -1.96 -0.27 0.00 -1.36 0.00 0.00 55.97 53.14 4rub s LYS 236 Cb -0.91 -1.45 0.07 0.00 -1.68 0.00 0.00 37.83 33.86 4rub s LYS 236 CO 0.52 0.01 0.65 0.20 -0.76 0.00 0.00 175.35 175.97 4rub s GLY 237 N -3.59 -0.59 -0.29 -3.33 0.00 -1.02 -4.82 107.32 93.68 4rub s GLY 237 Ca 0.33 0.88 -0.00 0.00 0.00 0.00 0.00 44.72 45.93 4rub s GLY 237 CO 0.16 0.52 0.07 -1.58 0.00 0.00 0.00 173.10 172.26 4rub s HIS 238 N -2.60 1.96 -0.46 1.90 2.46 -1.26 -2.88 115.29 114.41 4rub s HIS 238 Ca -0.04 -1.79 -0.44 0.00 0.47 0.00 0.00 55.06 53.26 4rub s HIS 238 Cb -0.01 -1.76 -0.18 0.00 -0.13 0.00 0.00 32.58 30.50 4rub s HIS 238 CO -0.03 -0.84 1.94 0.66 -2.47 0.00 0.00 174.74 174.00 4rub n TYR 239 N 4.78 1.48 -3.33 3.88 4.01 -0.13 -4.83 117.16 123.02 4rub n TYR 239 Ca -0.03 0.81 -0.40 0.00 -0.16 0.00 0.00 57.90 58.12 4rub n TYR 239 Cb 0.43 -2.31 -0.09 0.00 -0.31 0.00 0.00 39.34 37.06 4rub n TYR 239 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 4rub s LEU 240 N 4.97 4.09 -0.11 7.72 1.43 -1.19 -2.60 118.68 132.99 4rub s LEU 240 Ca 1.12 0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 54.23 4rub s LEU 240 Cb -1.39 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.29 4rub s LEU 240 CO 0.69 -0.25 1.36 0.21 0.23 0.00 0.00 176.35 178.59 4rub s ASN 241 N 1.63 6.89 0.00 2.29 3.04 -1.26 -1.14 114.94 126.38 4rub s ASN 241 Ca 0.17 1.88 0.19 0.00 0.04 0.00 0.00 52.86 55.14 4rub s ASN 241 Cb -0.16 -2.54 0.21 0.00 -1.54 0.00 0.00 41.25 37.22 4rub s ASN 241 CO 0.10 -0.77 1.17 0.00 -3.04 0.00 0.00 177.10 174.56 4rub n ALA 242 N 6.37 2.44 -2.08 1.71 0.00 -0.41 -4.92 120.51 123.62 4rub n ALA 242 Ca 0.14 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 4rub n ALA 242 Cb 0.44 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 4rub n ALA 242 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 4rub s THR 243 N -1.54 3.12 0.23 0.00 2.01 -1.26 -4.44 115.64 113.76 4rub s THR 243 Ca 0.25 0.76 0.01 0.00 0.31 0.00 0.00 61.69 63.02 4rub s THR 243 Cb 0.17 -3.49 -0.00 0.00 0.01 0.00 0.00 72.50 69.19 4rub s THR 243 CO 0.25 0.05 0.28 0.00 -0.69 0.00 0.00 174.62 174.50 4rub n ALA 244 N 4.27 -0.01 0.18 7.40 0.00 -1.26 -4.79 120.51 126.31 4rub n ALA 244 Ca 0.13 -1.12 0.10 0.00 0.00 0.00 0.00 53.44 52.54 4rub n ALA 244 Cb 0.41 0.91 0.11 0.00 0.00 0.00 0.00 19.45 20.87 4rub n ALA 244 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 4rub h GLY 245 N 1.30 0.00 -4.68 0.00 0.00 -1.96 -3.47 103.07 94.27 4rub h GLY 245 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.93 4rub h GLY 245 CO 0.24 0.00 -0.72 -0.51 0.00 0.00 0.00 176.54 175.55 4rub s THR 246 N -3.19 0.40 0.22 4.70 -4.23 -1.26 -5.06 115.64 107.22 4rub s THR 246 Ca 0.05 -1.10 -0.08 0.00 -1.18 0.00 0.00 61.69 59.37 4rub s THR 246 Cb 0.06 -0.59 0.16 0.00 1.34 0.00 0.00 72.50 73.47 4rub s THR 246 CO 0.71 -0.47 1.80 0.00 -0.54 0.00 0.00 174.62 176.12 4rub h GLU 248 N 0.68 0.16 -0.34 0.00 3.07 -2.00 0.13 114.58 116.29 4rub h GLU 248 Ca 0.32 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 4rub h GLU 248 Cb 0.25 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 4rub h GLU 248 CO -0.21 0.11 0.17 0.93 -1.40 0.00 0.00 179.01 178.61 4rub h GLU 249 N 0.17 0.48 -0.23 2.33 4.39 -1.79 -2.00 114.58 117.93 4rub h GLU 249 Ca 0.21 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.89 4rub h GLU 249 Cb 0.29 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 4rub h GLU 249 CO -0.31 0.42 -0.04 1.98 -1.16 0.00 0.00 179.01 179.90 4rub h MET 250 N 0.42 0.02 -0.11 2.33 4.05 -0.69 -2.32 114.93 118.62 4rub h MET 250 Ca 0.12 -0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.44 4rub h MET 250 Cb 0.09 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 4rub h MET 250 CO -0.02 0.01 -0.37 0.82 0.23 0.00 0.00 176.91 177.59 4rub h ILE 251 N 0.02 1.29 -0.16 1.77 1.08 -0.66 -2.51 117.51 118.35 4rub h ILE 251 Ca 0.11 -1.41 -0.01 0.00 -0.39 0.00 0.00 64.86 63.16 4rub h ILE 251 Cb 0.16 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 4rub h ILE 251 CO -0.22 0.42 0.04 0.50 -0.69 0.00 0.00 178.15 178.20 4rub h LYS 252 N 0.20 0.21 0.20 2.37 3.64 -0.83 0.99 116.57 123.36 4rub h LYS 252 Ca 0.02 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 4rub h LYS 252 Cb 0.75 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.55 4rub h LYS 252 CO 0.06 0.20 -1.52 0.00 -2.27 0.00 0.00 179.45 175.92 4rub h ARG 253 N 0.22 0.43 -0.66 1.90 3.08 -1.31 -2.96 114.38 115.08 4rub h ARG 253 Ca 0.05 -0.73 0.11 0.00 0.07 0.00 0.00 59.98 59.49 4rub h ARG 253 Cb 0.09 0.27 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 4rub h ARG 253 CO -0.00 1.35 0.24 0.00 -1.07 0.00 0.00 179.97 180.49 4rub h ALA 254 N 0.10 0.87 -0.82 0.04 0.00 -0.61 -0.29 119.26 118.56 4rub h ALA 254 Ca -0.29 0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.78 4rub h ALA 254 Cb 2.05 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.86 4rub h ALA 254 CO 0.20 -0.21 0.50 0.28 0.00 0.00 0.00 179.25 180.02 4rub h VAL 255 N 0.40 1.03 -0.03 0.00 2.07 0.91 -1.73 116.25 118.91 4rub h VAL 255 Ca 0.34 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 4rub h VAL 255 Cb 0.47 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 4rub h VAL 255 CO -0.35 0.17 0.02 0.15 0.02 0.00 0.00 177.57 177.57 4rub h PHE 256 N 0.92 0.04 -0.46 1.57 3.57 -0.91 -0.92 116.94 120.75 4rub h PHE 256 Ca 0.36 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.95 4rub h PHE 256 Cb 0.16 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.81 4rub h PHE 256 CO -0.04 0.10 -0.03 0.00 -2.23 0.00 0.00 178.31 176.11 4rub h ALA 257 N 0.93 0.40 -0.47 2.41 0.00 -1.04 0.18 119.26 121.67 4rub h ALA 257 Ca 0.01 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.16 4rub h ALA 257 Cb 0.08 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 4rub h ALA 257 CO -0.00 -0.41 -0.06 -0.09 0.00 0.00 0.00 179.25 178.69 4rub h ARG 258 N 0.08 0.05 -0.92 0.00 1.12 -0.80 0.16 114.38 114.08 4rub h ARG 258 Ca 0.23 -0.00 0.09 0.00 -1.11 0.00 0.00 59.98 59.18 4rub h ARG 258 Cb 0.34 -0.01 -0.07 0.00 -0.01 0.00 0.00 29.97 30.22 4rub h ARG 258 CO -0.41 0.04 0.56 1.49 -3.11 0.00 0.00 179.97 178.54 4rub h GLU 259 N 0.05 0.93 0.00 0.20 4.81 0.64 -1.17 114.58 120.04 4rub h GLU 259 Ca 0.23 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 4rub h GLU 259 Cb 0.36 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.53 4rub h GLU 259 CO -0.44 0.62 0.00 1.28 -0.73 0.00 0.00 179.01 179.73 4rub n LEU 260 N -4.64 0.64 0.00 1.64 4.77 0.11 -4.90 117.00 114.61 4rub n LEU 260 Ca 0.15 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 4rub n LEU 260 Cb 0.26 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 4rub n LEU 260 CO 0.29 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 4rub n GLY 261 N 0.10 1.31 3.65 -0.72 0.00 -0.44 -5.00 105.19 104.09 4rub n GLY 261 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 4rub n GLY 261 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 4rub n VAL 262 N -2.00 3.48 0.66 1.61 0.24 -1.23 -4.98 118.33 116.10 4rub n VAL 262 Ca 0.00 -0.41 0.11 0.00 -2.04 0.00 0.00 64.34 62.00 4rub n VAL 262 Cb 0.00 -1.22 0.09 0.00 -1.47 0.00 0.00 33.84 31.24 4rub n VAL 262 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 4rub n PRO 263 N -1.88 0.23 -3.80 7.34 -0.04 -1.26 -4.76 135.00 130.82 4rub n PRO 263 Ca 0.14 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.51 4rub n PRO 263 Cb 0.49 -1.60 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 4rub n PRO 263 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 4rub s ILE 264 N -3.15 0.09 0.37 0.52 2.07 -1.26 -1.70 121.20 118.14 4rub s ILE 264 Ca 0.06 -0.75 0.04 0.00 -1.41 0.00 0.00 60.65 58.59 4rub s ILE 264 Cb 0.15 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 4rub s ILE 264 CO 0.77 -0.41 0.15 0.68 -1.91 0.00 0.00 174.94 174.22 4rub s VAL 265 N -2.34 0.48 0.09 4.00 -7.23 0.53 -3.16 120.40 112.76 4rub s VAL 265 Ca -0.07 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.04 4rub s VAL 265 Cb -0.02 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 4rub s VAL 265 CO -0.02 0.00 0.13 -0.32 -0.31 0.00 0.00 175.10 174.58 4rub s MET 266 N -3.71 0.81 -0.19 4.82 1.75 -0.29 -1.79 119.30 120.70 4rub s MET 266 Ca 0.30 -1.07 -0.13 0.00 -1.25 0.00 0.00 55.69 53.54 4rub s MET 266 Cb 0.03 0.31 0.06 0.00 2.84 0.00 0.00 34.83 38.07 4rub s MET 266 CO 0.17 -0.24 0.47 -1.58 -0.65 0.00 0.00 175.02 173.19 4rub s HIS 267 N -3.90 -0.64 -1.03 4.11 5.04 -0.78 -1.28 115.29 116.81 4rub s HIS 267 Ca 0.08 1.40 -0.23 0.00 -1.54 0.00 0.00 55.06 54.77 4rub s HIS 267 Cb 0.06 0.29 0.04 0.00 0.04 0.00 0.00 32.58 33.00 4rub s HIS 267 CO -0.09 -0.34 1.54 -0.51 -2.34 0.00 0.00 174.74 173.01 4rub s ASP 268 N 1.04 6.34 0.50 9.88 1.01 -1.26 -2.82 116.67 131.36 4rub s ASP 268 Ca -0.06 -1.45 0.27 0.00 0.71 0.00 0.00 52.55 52.02 4rub s ASP 268 Cb -0.06 -2.57 1.35 0.00 1.01 0.00 0.00 42.92 42.65 4rub s ASP 268 CO -0.09 -1.66 1.89 0.10 0.21 0.00 0.00 175.17 175.62 4rub h TYR 269 N 9.79 0.17 0.11 4.23 -0.00 -1.87 -2.61 116.97 126.79 4rub h TYR 269 Ca 0.21 0.01 -0.24 0.00 -0.00 0.00 0.00 58.73 58.70 4rub h TYR 269 Cb 1.00 -0.05 -0.00 0.00 -0.00 0.00 0.00 36.73 37.67 4rub h TYR 269 CO 1.28 0.04 -1.22 -0.07 -0.00 0.00 0.00 178.16 178.20 4rub h LEU 270 N 0.13 0.35 -1.00 0.10 3.38 -1.79 -1.51 115.31 114.97 4rub h LEU 270 Ca 0.42 -0.86 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 4rub h LEU 270 Cb 1.47 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 4rub h LEU 270 CO -0.06 1.54 -0.14 0.71 0.09 0.00 0.00 178.44 180.58 4rub h THR 271 N -0.40 0.31 0.00 0.22 1.35 -1.70 -3.27 112.91 109.43 4rub h THR 271 Ca -0.26 -0.97 -0.01 0.00 -0.55 0.00 0.00 66.41 64.62 4rub h THR 271 Cb 1.67 1.76 -0.00 0.00 -1.73 0.00 0.00 68.15 69.85 4rub h THR 271 CO 0.06 0.13 -0.13 1.23 -0.25 0.00 0.00 175.52 176.56 4rub h GLY 272 N 2.42 0.00 0.00 5.82 0.00 -1.58 -3.51 103.07 106.23 4rub h GLY 272 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 4rub h GLY 272 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 4rub n GLY 273 N 1.70 2.91 0.23 4.60 0.00 -0.57 -4.62 105.19 109.45 4rub n GLY 273 Ca -0.05 -2.05 -0.07 0.00 0.00 0.00 0.00 46.02 43.85 4rub n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 4rub h PHE 274 N 0.00 0.74 -0.38 1.61 0.04 -1.87 0.12 116.94 117.20 4rub h PHE 274 Ca 0.00 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.80 4rub h PHE 274 Cb 0.00 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 37.87 4rub h PHE 274 CO 0.00 0.54 0.11 1.15 -0.60 0.00 0.00 178.31 179.52 4rub h THR 275 N 0.73 0.86 -0.02 -1.55 2.02 -1.93 0.90 112.91 113.92 4rub h THR 275 Ca 0.19 -0.09 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 4rub h THR 275 Cb 0.04 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 4rub h THR 275 CO -0.03 0.05 -0.59 0.00 0.37 0.00 0.00 175.52 175.31 4rub h ALA 276 N 1.26 0.99 0.67 6.16 0.00 -1.79 -3.09 119.26 123.46 4rub h ALA 276 Ca 0.18 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 4rub h ALA 276 Cb 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.88 4rub h ALA 276 CO -0.20 0.74 -0.32 -0.97 0.00 0.00 0.00 179.25 178.50 4rub h ASN 277 N 0.04 -0.76 -0.87 0.00 -1.24 0.52 -2.63 115.58 110.63 4rub h ASN 277 Ca -0.01 0.01 0.16 0.00 0.71 0.00 0.00 56.30 57.17 4rub h ASN 277 Cb 1.06 0.20 -0.07 0.00 0.73 0.00 0.00 38.32 40.24 4rub h ASN 277 CO 0.08 -0.51 0.57 0.74 -1.29 0.00 0.00 177.43 177.02 4rub h THR 278 N -0.94 0.79 -0.34 -3.57 2.02 -0.94 0.15 112.91 110.08 4rub h THR 278 Ca -0.09 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 4rub h THR 278 Cb 0.70 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 4rub h THR 278 CO 0.15 0.11 0.21 0.28 0.37 0.00 0.00 175.52 176.64 4rub h SER 279 N 0.59 0.41 -0.35 4.18 0.02 -1.41 0.24 113.55 117.23 4rub h SER 279 Ca 0.44 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.33 4rub h SER 279 Cb 0.84 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 4rub h SER 279 CO -0.19 0.33 0.14 0.25 -1.14 0.00 0.00 176.83 176.22 4rub h LEU 280 N 0.45 0.48 -0.77 5.07 5.85 -0.65 -1.25 115.31 124.49 4rub h LEU 280 Ca 0.12 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.68 4rub h LEU 280 Cb -0.00 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 4rub h LEU 280 CO -0.02 0.52 0.48 0.00 -0.34 0.00 0.00 178.44 179.08 4rub h ALA 281 N 0.99 0.97 -0.26 1.25 0.00 -0.60 0.50 119.26 122.11 4rub h ALA 281 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 4rub h ALA 281 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 4rub h ALA 281 CO -0.01 0.42 0.12 0.45 0.00 0.00 0.00 179.25 180.23 4rub h HIS 282 N 1.04 0.37 -0.93 0.00 3.86 -0.37 0.36 115.15 119.49 4rub h HIS 282 Ca 0.28 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.58 4rub h HIS 282 Cb -0.07 -0.12 -0.08 0.00 1.06 0.00 0.00 27.41 28.20 4rub h HIS 282 CO -0.01 0.36 0.56 -0.92 0.86 0.00 0.00 177.93 178.78 4rub h TYR 283 N 0.28 1.02 -0.10 2.45 3.20 -0.81 -1.79 116.97 121.23 4rub h TYR 283 Ca 0.09 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 4rub h TYR 283 Cb 0.13 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 4rub h TYR 283 CO -0.02 0.39 -0.03 0.00 -1.64 0.00 0.00 178.16 176.86 4rub h ARG 285 N -0.15 -0.18 0.00 0.00 9.65 0.49 0.73 114.38 124.92 4rub h ARG 285 Ca 0.02 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 4rub h ARG 285 Cb 0.46 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 4rub h ARG 285 CO 0.01 -0.12 0.00 -0.44 2.80 0.00 0.00 179.97 182.22 4rub h ASP 286 N -0.18 0.00 -0.10 -3.80 3.32 -1.38 -3.18 116.42 111.09 4rub h ASP 286 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 4rub h ASP 286 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 4rub h ASP 286 CO -0.66 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.45 4rub n ASN 287 N -2.88 2.34 -1.80 6.45 3.02 -0.60 -5.04 115.26 116.76 4rub n ASN 287 Ca 0.01 -2.10 -0.16 0.00 -0.03 0.00 0.00 54.58 52.30 4rub n ASN 287 Cb 0.29 -0.11 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 4rub n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 4rub n GLY 288 N -0.28 -0.21 3.94 7.41 0.00 0.15 -5.02 105.19 111.17 4rub n GLY 288 Ca 0.05 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 4rub n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4rub s LEU 289 N -4.55 4.30 -0.04 0.99 1.43 -1.14 -4.95 118.68 114.72 4rub s LEU 289 Ca 0.00 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 4rub s LEU 289 Cb 0.00 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 4rub s LEU 289 CO 0.00 0.05 0.12 -0.76 0.23 0.00 0.00 176.35 175.99 4rub s LEU 290 N -3.25 4.13 -0.15 1.79 1.43 -0.69 -4.58 118.68 117.37 4rub s LEU 290 Ca 0.34 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.71 4rub s LEU 290 Cb -0.11 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 4rub s LEU 290 CO 0.28 0.31 -0.09 -0.22 0.23 0.00 0.00 176.35 176.86 4rub s LEU 291 N -1.55 2.94 -0.21 1.79 2.96 -1.26 -0.35 118.68 123.00 4rub s LEU 291 Ca 0.21 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 4rub s LEU 291 Cb -0.12 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 4rub s LEU 291 CO 0.12 0.15 0.04 -2.28 -1.32 0.00 0.00 176.35 173.07 4rub s HIS 292 N 0.43 3.11 -0.07 5.38 5.65 -0.74 -0.72 115.29 128.34 4rub s HIS 292 Ca -0.07 -0.27 -0.11 0.00 0.25 0.00 0.00 55.06 54.86 4rub s HIS 292 Cb -0.15 -2.14 -0.05 0.00 -1.18 0.00 0.00 32.58 29.06 4rub s HIS 292 CO 0.04 -0.16 0.28 0.42 -0.65 0.00 0.00 174.74 174.67 4rub s ILE 293 N 1.02 5.27 -0.14 0.89 -1.09 -0.55 -1.87 121.20 124.73 4rub s ILE 293 Ca 0.03 0.53 0.02 0.00 -2.23 0.00 0.00 60.65 59.00 4rub s ILE 293 Cb -0.14 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 4rub s ILE 293 CO 0.03 0.58 -0.21 -2.28 -1.23 0.00 0.00 174.94 171.82 4rub s HIS 294 N -0.90 2.69 -0.36 3.97 5.65 -1.13 -3.43 115.29 121.78 4rub s HIS 294 Ca 0.19 -1.33 0.04 0.00 0.25 0.00 0.00 55.06 54.21 4rub s HIS 294 Cb -0.14 -1.83 0.40 0.00 -1.18 0.00 0.00 32.58 29.83 4rub s HIS 294 CO 0.08 -0.61 1.40 2.89 -0.65 0.00 0.00 174.74 177.86 4rub n ARG 295 N 4.10 2.21 -1.29 2.88 0.00 -1.26 -2.75 116.66 120.54 4rub n ARG 295 Ca -0.20 -1.70 -0.40 0.00 -0.00 0.00 0.00 57.85 55.55 4rub n ARG 295 Cb 0.51 -1.75 0.01 0.00 -0.00 0.00 0.00 32.46 31.23 4rub n ARG 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 4rub n ALA 296 N -0.15 -2.86 0.00 2.89 0.00 -1.26 -1.48 120.51 117.65 4rub n ALA 296 Ca 0.27 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.75 4rub n ALA 296 Cb 1.02 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 19.00 4rub n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 4rub n MET 297 N 1.31 0.00 -0.18 0.00 0.00 -1.26 -4.17 117.12 112.81 4rub n MET 297 Ca 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 57.70 57.80 4rub n MET 297 Cb 0.43 -1.34 0.09 0.00 0.00 0.00 0.00 33.22 32.40 4rub n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 4rub h HIS 298 N 0.00 0.07 0.00 1.12 -0.00 -1.69 0.28 115.15 114.92 4rub h HIS 298 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 4rub h HIS 298 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 4rub h HIS 298 CO 0.00 -0.09 0.11 0.00 -0.00 0.00 0.00 177.93 177.95 4rub n ALA 299 N -2.66 0.87 0.15 6.11 0.00 -1.26 0.30 120.51 124.01 4rub n ALA 299 Ca 0.08 0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.65 4rub n ALA 299 Cb 0.31 -1.04 0.21 0.00 0.00 0.00 0.00 19.45 18.93 4rub n ALA 299 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 4rub h VAL 300 N 0.00 1.22 0.02 0.00 2.07 -0.85 -3.23 116.25 115.48 4rub h VAL 300 Ca 0.00 -1.98 -0.38 0.00 0.82 0.00 0.00 66.70 65.15 4rub h VAL 300 Cb 0.22 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 4rub h VAL 300 CO 0.00 0.53 -2.40 -0.38 0.02 0.00 0.00 177.57 175.34 4rub n ILE 301 N -3.64 1.53 -0.04 4.57 5.41 0.15 -4.73 119.36 122.61 4rub n ILE 301 Ca -0.01 -0.60 0.10 0.00 1.00 0.00 0.00 62.75 63.25 4rub n ILE 301 Cb 0.60 -1.40 0.28 0.00 -0.71 0.00 0.00 39.64 38.41 4rub n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 4rub n ASP 302 N -3.26 3.43 -0.05 4.38 5.68 -0.19 -1.73 116.55 124.82 4rub n ASP 302 Ca -0.43 -2.00 -0.01 0.00 -0.50 0.00 0.00 54.79 51.85 4rub n ASP 302 Cb 1.01 -0.43 -0.00 0.00 -1.14 0.00 0.00 41.12 40.56 4rub n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 4rub h ARG 303 N 3.76 0.00 -6.63 0.11 2.43 -1.81 -3.43 114.38 108.82 4rub h ARG 303 Ca 0.00 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.60 4rub h ARG 303 Cb 0.86 0.00 0.08 0.00 -0.42 0.00 0.00 29.97 30.49 4rub h ARG 303 CO 0.00 0.00 0.66 1.04 -1.51 0.00 0.00 179.97 180.16 4rub n GLN 304 N -4.52 2.15 0.00 0.20 1.13 -1.26 -3.69 117.38 111.39 4rub n GLN 304 Ca -0.02 0.77 0.12 0.00 -1.94 0.00 0.00 57.00 55.93 4rub n GLN 304 Cb 0.07 -2.44 0.60 0.00 0.11 0.00 0.00 30.24 28.57 4rub n GLN 304 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 4rub n LYS 305 N 2.01 0.20 -0.02 -1.09 4.81 -1.26 -3.84 118.16 118.98 4rub n LYS 305 Ca 0.11 0.06 0.03 0.00 -0.87 0.00 0.00 58.31 57.64 4rub n LYS 305 Cb 0.32 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.78 4rub n LYS 305 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 4rub n ASN 306 N -1.38 2.12 -3.81 3.14 6.94 -1.26 -5.01 115.26 116.00 4rub n ASN 306 Ca 0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.52 4rub n ASN 306 Cb 0.24 1.39 -0.14 0.00 -2.36 0.00 0.00 39.78 38.91 4rub n ASN 306 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 4rub s HIS 307 N -2.74 -0.06 -1.55 -2.53 5.04 -1.25 -3.65 115.29 108.56 4rub s HIS 307 Ca -0.05 0.21 0.00 0.00 -1.54 0.00 0.00 55.06 53.69 4rub s HIS 307 Cb 0.07 -0.07 0.00 0.00 0.04 0.00 0.00 32.58 32.62 4rub s HIS 307 CO 0.51 -0.07 0.00 0.41 -2.34 0.00 0.00 174.74 173.25 4rub n GLY 308 N 3.59 0.45 3.10 1.59 0.00 -0.89 -4.44 105.19 108.60 4rub n GLY 308 Ca -0.19 -1.95 -0.25 0.00 0.00 0.00 0.00 46.02 43.62 4rub n GLY 308 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4rub s ILE 309 N -1.20 1.30 0.21 -0.61 1.01 -0.71 0.75 121.20 121.96 4rub s ILE 309 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 4rub s ILE 309 Cb 0.00 -1.13 -0.08 0.00 0.01 0.00 0.00 42.46 41.25 4rub s ILE 309 CO 0.00 0.38 1.00 -2.28 0.00 0.00 0.00 174.94 174.04 4rub s HIS 310 N 0.18 3.82 0.56 3.97 5.65 0.14 -3.28 115.29 126.34 4rub s HIS 310 Ca -0.06 1.81 0.32 0.00 0.25 0.00 0.00 55.06 57.38 4rub s HIS 310 Cb -0.12 -3.10 1.45 0.00 -1.18 0.00 0.00 32.58 29.64 4rub s HIS 310 CO 0.02 0.06 1.80 0.35 -0.65 0.00 0.00 174.74 176.32 4rub h PHE 311 N 4.50 0.00 -0.22 3.88 3.57 -1.92 0.64 116.94 127.41 4rub h PHE 311 Ca -0.45 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.08 4rub h PHE 311 Cb 1.21 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 4rub h PHE 311 CO 0.62 0.00 0.15 0.07 -2.23 0.00 0.00 178.31 176.91 4rub h ARG 312 N 0.00 0.15 0.02 1.11 0.11 -1.90 0.36 114.38 114.23 4rub h ARG 312 Ca 0.42 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.49 4rub h ARG 312 Cb 1.89 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.94 4rub h ARG 312 CO -0.00 0.10 -0.01 0.28 0.10 0.00 0.00 179.97 180.43 4rub h VAL 313 N 0.15 1.44 -0.68 0.08 2.07 0.05 -1.10 116.25 118.26 4rub h VAL 313 Ca 0.09 -1.54 0.15 0.00 0.82 0.00 0.00 66.70 66.22 4rub h VAL 313 Cb 0.18 2.45 -0.11 0.00 -1.52 0.00 0.00 31.29 32.29 4rub h VAL 313 CO -0.01 0.39 0.04 -0.07 0.02 0.00 0.00 177.57 177.93 4rub h LEU 314 N -0.72 -0.23 -0.40 2.57 4.07 -1.25 0.25 115.31 119.60 4rub h LEU 314 Ca -0.00 0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 4rub h LEU 314 Cb 0.66 0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 4rub h LEU 314 CO 0.01 -0.12 0.15 0.00 -1.08 0.00 0.00 178.44 177.40 4rub h ALA 315 N 1.61 0.52 -0.08 1.53 0.00 -0.32 -1.78 119.26 120.75 4rub h ALA 315 Ca 0.37 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.14 4rub h ALA 315 Cb 0.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 4rub h ALA 315 CO -0.56 0.12 0.02 0.87 0.00 0.00 0.00 179.25 179.70 4rub h LYS 316 N 0.50 0.06 -0.90 0.00 1.57 0.29 -2.46 116.57 115.62 4rub h LYS 316 Ca 0.13 -0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.10 4rub h LYS 316 Cb 0.20 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.38 4rub h LYS 316 CO -0.01 0.04 0.46 0.00 -0.57 0.00 0.00 179.45 179.37 4rub h ALA 317 N 1.05 1.44 -0.14 3.86 0.00 -0.03 -1.14 119.26 124.30 4rub h ALA 317 Ca 0.03 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 4rub h ALA 317 Cb 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 4rub h ALA 317 CO -0.04 -0.19 -0.22 1.25 0.00 0.00 0.00 179.25 180.05 4rub h LEU 318 N 0.56 0.43 -0.92 0.00 5.85 -1.14 -1.35 115.31 118.74 4rub h LEU 318 Ca 0.53 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.72 4rub h LEU 318 Cb 0.89 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.80 4rub h LEU 318 CO -0.44 0.88 0.00 -1.14 -0.34 0.00 0.00 178.44 177.40 4rub n ARG 319 N -4.48 0.11 -0.06 1.25 3.00 -0.47 -0.24 116.66 115.78 4rub n ARG 319 Ca -0.07 0.55 -0.22 0.00 -0.00 0.00 0.00 57.85 58.12 4rub n ARG 319 Cb 0.42 -1.82 -0.13 0.00 0.00 0.00 0.00 32.46 30.94 4rub n ARG 319 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 4rub n MET 320 N -2.05 0.65 0.03 -0.14 2.81 -0.95 -4.24 117.12 113.23 4rub n MET 320 Ca -0.00 0.44 -0.12 0.00 -1.81 0.00 0.00 57.70 56.21 4rub n MET 320 Cb 0.07 -1.73 -0.09 0.00 -0.71 0.00 0.00 33.22 30.76 4rub n MET 320 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 4rub h SER 321 N -0.55 -0.10 0.00 7.83 0.87 -0.20 -3.16 113.55 118.24 4rub h SER 321 Ca -0.38 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 59.76 4rub h SER 321 Cb 1.62 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 4rub h SER 321 CO -0.09 0.39 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 4rub n GLY 322 N 0.26 4.06 3.63 5.77 0.00 0.67 -4.39 105.19 115.21 4rub n GLY 322 Ca -0.08 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 4rub n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 4rub s GLY 323 N 0.00 0.10 -0.25 -0.02 0.00 -1.26 -4.79 107.32 101.10 4rub s GLY 323 Ca 0.00 2.92 0.02 0.00 0.00 0.00 0.00 44.72 47.66 4rub s GLY 323 CO 0.00 1.43 -0.19 1.22 0.00 0.00 0.00 173.10 175.56 4rub n ASP 324 N 1.04 1.96 -4.45 1.64 8.00 0.10 -4.21 116.55 120.64 4rub n ASP 324 Ca -0.06 -0.12 -0.27 0.00 0.71 0.00 0.00 54.79 55.06 4rub n ASP 324 Cb 0.58 -0.42 -0.11 0.00 -0.02 0.00 0.00 41.12 41.15 4rub n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 4rub s HIS 325 N -2.52 2.36 -0.12 1.24 3.76 -1.06 -1.55 115.29 117.40 4rub s HIS 325 Ca -0.34 -0.33 -0.13 0.00 -0.15 0.00 0.00 55.06 54.11 4rub s HIS 325 Cb 0.09 -1.15 0.03 0.00 1.11 0.00 0.00 32.58 32.66 4rub s HIS 325 CO 0.61 0.53 0.35 -1.50 -0.85 0.00 0.00 174.74 173.88 4rub s ILE 326 N -1.77 0.01 0.15 0.60 2.07 -1.15 -1.48 121.20 119.62 4rub s ILE 326 Ca 0.22 -0.06 -0.30 0.00 -1.41 0.00 0.00 60.65 59.10 4rub s ILE 326 Cb -0.08 -0.52 -0.07 0.00 0.13 0.00 0.00 42.46 41.92 4rub s ILE 326 CO 0.11 -0.03 1.01 -1.00 -1.91 0.00 0.00 174.94 173.12 4rub s HIS 327 N -0.02 3.74 -0.45 3.50 3.76 -1.22 -0.34 115.29 124.27 4rub s HIS 327 Ca -0.02 1.73 0.08 0.00 -0.15 0.00 0.00 55.06 56.70 4rub s HIS 327 Cb -0.03 -3.13 -0.06 0.00 1.11 0.00 0.00 32.58 30.47 4rub s HIS 327 CO 0.01 -0.09 0.38 -1.13 -0.85 0.00 0.00 174.74 173.06 4rub n SER 328 N 2.52 0.53 0.00 1.40 3.41 -0.19 -4.78 113.62 116.51 4rub n SER 328 Ca 0.02 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 4rub n SER 328 Cb 0.48 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 4rub n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4rub n GLY 329 N 1.09 0.72 0.00 5.00 0.00 -1.20 -4.97 105.19 105.83 4rub n GLY 329 Ca 0.02 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.89 4rub n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 4rub n THR 330 N -0.01 0.00 0.00 2.61 -2.24 -1.26 -4.18 114.28 109.20 4rub n THR 330 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 4rub n THR 330 Cb 0.00 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 4rub n THR 330 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 4rub n VAL 331 N -0.98 0.00 1.76 2.28 0.31 -1.26 -4.41 118.33 116.02 4rub n VAL 331 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 4rub n VAL 331 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 4rub n VAL 331 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 4rub n VAL 332 N 0.00 0.02 -2.67 2.52 0.31 -1.26 -4.68 118.33 112.57 4rub n VAL 332 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 4rub n VAL 332 Cb 0.00 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 4rub n VAL 332 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4rub n GLY 333 N 0.41 6.34 0.30 2.92 0.00 -1.26 -4.58 105.19 109.32 4rub n GLY 333 Ca 0.00 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.44 4rub n GLY 333 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 4rub h LYS 334 N 0.00 0.00 -6.38 1.61 2.10 -1.50 -3.44 116.57 108.95 4rub h LYS 334 Ca 0.00 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.02 4rub h LYS 334 Cb 0.00 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.17 4rub h LYS 334 CO 0.00 0.00 -0.79 -0.51 -2.00 0.00 0.00 179.45 176.15 4rub s LEU 335 N -7.88 2.53 0.43 7.07 1.43 -1.26 -5.03 118.68 115.96 4rub s LEU 335 Ca -0.05 -0.96 -0.22 0.00 -1.03 0.00 0.00 54.13 51.88 4rub s LEU 335 Cb 0.15 -1.14 -0.13 0.00 0.03 0.00 0.00 46.19 45.11 4rub s LEU 335 CO 0.57 0.07 0.47 1.21 0.23 0.00 0.00 176.35 178.90 4rub n GLU 336 N -0.24 0.48 0.00 1.70 2.13 -1.26 -4.66 120.64 118.78 4rub n GLU 336 Ca -0.08 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.91 4rub n GLU 336 Cb 0.58 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.85 4rub n GLU 336 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 4rub n GLY 337 N 1.87 3.02 3.72 8.31 0.00 -1.26 -4.82 105.19 116.02 4rub n GLY 337 Ca 0.11 0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 4rub n GLY 337 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4rub s GLU 338 N -0.89 3.34 0.25 1.61 2.56 -1.26 -4.24 118.70 120.07 4rub s GLU 338 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 54.97 54.58 4rub s GLU 338 Cb 0.00 -2.99 0.42 0.00 2.00 0.00 0.00 34.13 33.56 4rub s GLU 338 CO 0.00 0.62 1.41 -2.13 -0.56 0.00 0.00 175.26 174.60 4rub n ARG 339 N 2.43 -0.08 -0.03 4.30 0.63 -1.26 -1.09 116.66 121.56 4rub n ARG 339 Ca -0.19 1.41 -0.13 0.00 -0.92 0.00 0.00 57.85 58.02 4rub n ARG 339 Cb 0.54 -2.11 -0.09 0.00 0.45 0.00 0.00 32.46 31.24 4rub n ARG 339 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 4rub h ASP 340 N 0.00 0.21 -0.13 6.15 3.32 -1.96 -0.35 116.42 123.66 4rub h ASP 340 Ca 0.44 -0.55 0.03 0.00 0.02 0.00 0.00 57.03 56.97 4rub h ASP 340 Cb 0.67 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 4rub h ASP 340 CO -0.93 0.72 -0.07 0.40 -1.72 0.00 0.00 179.24 177.63 4rub h ILE 341 N -0.29 0.77 -0.47 0.35 1.08 -1.72 0.19 117.51 117.43 4rub h ILE 341 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.55 4rub h ILE 341 Cb 0.68 0.77 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 4rub h ILE 341 CO 0.03 0.00 0.12 0.74 -0.69 0.00 0.00 178.15 178.35 4rub h THR 342 N -0.07 0.78 -0.52 -0.27 2.02 -1.07 0.81 112.91 114.59 4rub h THR 342 Ca 0.08 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.21 4rub h THR 342 Cb 0.18 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 4rub h THR 342 CO -0.17 0.05 0.35 -0.07 0.37 0.00 0.00 175.52 176.04 4rub h LEU 343 N 0.27 0.46 0.73 2.58 3.38 0.24 0.19 115.31 123.16 4rub h LEU 343 Ca 0.23 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 4rub h LEU 343 Cb 0.28 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.93 4rub h LEU 343 CO -0.28 0.31 -0.35 1.23 0.09 0.00 0.00 178.44 179.44 4rub h GLY 344 N 0.53 -1.02 2.00 0.83 0.00 0.15 -3.00 103.07 102.56 4rub h GLY 344 Ca 0.22 0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.82 4rub h GLY 344 CO -0.06 -0.37 -0.49 0.27 0.00 0.00 0.00 176.54 175.89 4rub h PHE 345 N -1.12 0.00 -0.61 5.60 -5.15 -0.45 -2.62 116.94 112.58 4rub h PHE 345 Ca -0.10 0.00 0.10 0.00 -0.20 0.00 0.00 57.97 57.77 4rub h PHE 345 Cb 0.75 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.85 4rub h PHE 345 CO 0.03 0.49 0.22 0.28 -2.00 0.00 0.00 178.31 177.32 4rub h VAL 346 N 0.00 0.75 -0.62 0.88 2.07 -0.70 0.10 116.25 118.74 4rub h VAL 346 Ca -0.00 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 4rub h VAL 346 Cb 0.98 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 4rub h VAL 346 CO 0.06 0.07 0.25 0.44 0.02 0.00 0.00 177.57 178.41 4rub h ASP 347 N 0.39 0.82 -0.20 0.57 3.32 -1.33 -0.84 116.42 119.15 4rub h ASP 347 Ca 0.31 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 4rub h ASP 347 Cb 0.40 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 4rub h ASP 347 CO -0.32 0.74 0.01 -0.07 -1.72 0.00 0.00 179.24 177.88 4rub h LEU 348 N 0.89 0.43 0.03 1.55 3.38 -0.73 0.30 115.31 121.17 4rub h LEU 348 Ca 0.21 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 4rub h LEU 348 Cb 0.17 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.82 4rub h LEU 348 CO -0.02 0.49 -0.37 -0.07 0.09 0.00 0.00 178.44 178.57 4rub h LEU 349 N 0.45 0.27 0.01 1.67 4.07 0.17 -3.40 115.31 118.55 4rub h LEU 349 Ca 0.10 -0.86 -0.33 0.00 0.08 0.00 0.00 57.88 56.87 4rub h LEU 349 Cb 0.28 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 41.88 4rub h LEU 349 CO 0.01 1.10 -2.00 0.54 -1.08 0.00 0.00 178.44 177.00 4rub n ARG 350 N -4.41 0.66 -1.70 1.13 1.74 -0.42 -1.38 116.66 112.28 4rub n ARG 350 Ca -0.11 0.18 -0.31 0.00 -0.77 0.00 0.00 57.85 56.84 4rub n ARG 350 Cb 0.59 -1.68 0.04 0.00 -1.02 0.00 0.00 32.46 30.39 4rub n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 4rub s ASP 351 N -5.99 5.49 -0.04 0.55 1.01 0.10 -4.46 116.67 113.34 4rub s ASP 351 Ca -0.10 1.67 -0.16 0.00 0.71 0.00 0.00 52.55 54.68 4rub s ASP 351 Cb 0.07 -2.51 -0.31 0.00 1.01 0.00 0.00 42.92 41.18 4rub s ASP 351 CO 0.81 -1.37 0.77 -0.78 0.21 0.00 0.00 175.17 174.81 4rub h ASP 352 N -0.40 0.59 -3.88 0.27 3.58 -1.92 -3.44 116.42 111.22 4rub h ASP 352 Ca -0.45 -0.92 -0.40 0.00 0.42 0.00 0.00 57.03 55.69 4rub h ASP 352 Cb 1.21 -0.19 -0.30 0.00 1.72 0.00 0.00 39.33 41.77 4rub h ASP 352 CO 0.57 1.65 -0.78 0.12 -2.88 0.00 0.00 179.24 177.92 4rub s PHE 353 N -2.53 0.83 -0.18 0.28 2.19 -1.26 -0.55 117.98 116.76 4rub s PHE 353 Ca -0.15 -0.18 -0.02 0.00 0.33 0.00 0.00 56.93 56.90 4rub s PHE 353 Cb 0.04 -0.58 0.05 0.00 -1.31 0.00 0.00 43.02 41.23 4rub s PHE 353 CO 0.85 -0.06 0.03 0.08 1.83 0.00 0.00 175.22 177.94 4rub s VAL 354 N 0.07 0.54 0.42 3.12 1.01 -0.32 -5.02 120.40 120.22 4rub s VAL 354 Ca -0.01 -0.48 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 4rub s VAL 354 Cb -0.06 -0.99 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 4rub s VAL 354 CO 0.00 -0.13 1.22 -0.70 0.00 0.00 0.00 175.10 175.49 4rub s GLU 355 N 1.86 3.91 0.21 2.72 2.56 -1.26 -0.56 118.70 128.13 4rub s GLU 355 Ca -0.00 1.95 -0.32 0.00 0.00 0.00 0.00 54.97 56.59 4rub s GLU 355 Cb -0.16 -2.62 -0.13 0.00 2.00 0.00 0.00 34.13 33.21 4rub s GLU 355 CO -0.08 -0.47 1.58 0.94 -0.56 0.00 0.00 175.26 176.67 4rub n GLN 356 N -0.09 2.35 -3.21 4.30 7.27 -1.26 -4.83 117.38 121.91 4rub n GLN 356 Ca 0.05 0.84 -0.10 0.00 0.07 0.00 0.00 57.00 57.86 4rub n GLN 356 Cb 0.46 -2.61 -0.04 0.00 2.41 0.00 0.00 30.24 30.45 4rub n GLN 356 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 4rub s ASP 357 N 0.77 -0.07 0.41 1.69 2.15 -0.74 -4.96 116.67 115.92 4rub s ASP 357 Ca 0.73 -1.53 0.19 0.00 0.43 0.00 0.00 52.55 52.37 4rub s ASP 357 Cb -0.61 1.11 1.05 0.00 -0.30 0.00 0.00 42.92 44.17 4rub s ASP 357 CO 0.41 -0.19 1.53 0.03 -0.17 0.00 0.00 175.17 176.78 4rub h ARG 358 N 6.52 0.00 0.21 4.34 3.08 -1.93 0.18 114.38 126.77 4rub h ARG 358 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 4rub h ARG 358 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 4rub h ARG 358 CO 0.15 0.00 -0.17 0.66 -1.07 0.00 0.00 179.97 179.54 4rub h SER 359 N 0.00 -0.45 0.00 7.04 4.64 -1.93 -2.96 113.55 119.88 4rub h SER 359 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 4rub h SER 359 Cb 0.50 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 4rub h SER 359 CO 0.00 -0.24 0.00 0.54 -0.87 0.00 0.00 176.83 176.26 4rub n ARG 360 N -3.33 0.77 -0.97 4.77 1.74 0.60 -4.87 116.66 115.37 4rub n ARG 360 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 4rub n ARG 360 Cb 0.16 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 4rub n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4rub n GLY 361 N 0.15 0.52 3.49 -0.13 0.00 -1.12 -4.47 105.19 103.63 4rub n GLY 361 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 4rub n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4rub s ILE 362 N -2.29 4.14 -0.99 -0.61 1.01 -1.15 -4.92 121.20 116.39 4rub s ILE 362 Ca 0.00 -0.21 0.24 0.00 0.00 0.00 0.00 60.65 60.69 4rub s ILE 362 Cb 0.00 -4.78 0.20 0.00 0.01 0.00 0.00 42.46 37.90 4rub s ILE 362 CO 0.00 -1.60 1.78 -1.22 0.00 0.00 0.00 174.94 173.90 4rub n TYR 363 N 8.21 0.02 -3.92 3.97 4.02 -1.26 -1.79 117.16 126.41 4rub n TYR 363 Ca 0.01 0.01 -0.10 0.00 -0.01 0.00 0.00 57.90 57.81 4rub n TYR 363 Cb 0.47 -0.51 -0.10 0.00 -0.02 0.00 0.00 39.34 39.18 4rub n TYR 363 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 4rub s PHE 364 N -3.00 0.15 0.23 -0.72 0.08 -1.26 -4.93 117.98 108.52 4rub s PHE 364 Ca 0.12 -0.37 -0.30 0.00 0.12 0.00 0.00 56.93 56.50 4rub s PHE 364 Cb 0.16 -0.12 -0.09 0.00 -0.57 0.00 0.00 43.02 42.41 4rub s PHE 364 CO 0.45 -0.31 1.08 0.99 -0.10 0.00 0.00 175.22 177.33 4rub s THR 365 N -1.98 3.74 -0.24 0.64 2.01 -1.26 -4.12 115.64 114.44 4rub s THR 365 Ca -0.10 1.63 0.02 0.00 0.31 0.00 0.00 61.69 63.55 4rub s THR 365 Cb -0.05 -4.04 0.05 0.00 0.01 0.00 0.00 72.50 68.47 4rub s THR 365 CO -0.02 0.34 -0.13 -1.58 -0.69 0.00 0.00 174.62 172.55 4rub s GLN 366 N -0.91 2.42 -0.25 4.92 2.00 0.27 -4.90 119.66 123.21 4rub s GLN 366 Ca 0.46 -1.23 -0.10 0.00 -2.00 0.00 0.00 55.36 52.50 4rub s GLN 366 Cb -0.30 -2.83 -0.05 0.00 0.80 0.00 0.00 33.01 30.64 4rub s GLN 366 CO 0.37 -0.49 0.15 0.34 -0.50 0.00 0.00 175.29 175.16 4rub s ASP 367 N 1.15 5.88 0.00 6.67 2.15 -1.26 -1.18 116.67 130.08 4rub s ASP 367 Ca -0.06 0.01 0.16 0.00 0.43 0.00 0.00 52.55 53.09 4rub s ASP 367 Cb -0.18 -2.07 0.46 0.00 -0.30 0.00 0.00 42.92 40.83 4rub s ASP 367 CO -0.07 0.01 1.37 0.79 -0.17 0.00 0.00 175.17 177.11 4rub n TRP 368 N 4.62 0.50 -3.71 -5.34 7.02 0.29 -4.61 117.44 116.21 4rub n TRP 368 Ca -0.15 -0.25 -0.22 0.00 -1.02 0.00 0.00 57.50 55.86 4rub n TRP 368 Cb 0.52 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.42 4rub n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 4rub n VAL 369 N 0.73 -1.51 -1.17 -0.99 0.24 -1.26 0.16 118.33 114.52 4rub n VAL 369 Ca 0.15 -0.22 -0.06 0.00 -2.04 0.00 0.00 64.34 62.17 4rub n VAL 369 Cb 0.37 -1.30 -0.03 0.00 -1.47 0.00 0.00 33.84 31.42 4rub n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 4rub n SER 370 N -0.87 -5.08 -4.77 -1.34 7.64 -1.26 -4.95 113.62 102.99 4rub n SER 370 Ca -0.10 0.15 -0.40 0.00 1.01 0.00 0.00 58.87 59.53 4rub n SER 370 Cb 0.33 -3.10 0.01 0.00 -1.01 0.00 0.00 64.21 60.43 4rub n SER 370 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 4rub s LEU 371 N -1.36 4.21 0.81 -3.43 2.96 0.42 -4.89 118.68 117.40 4rub s LEU 371 Ca 0.00 2.89 -0.14 0.00 -0.22 0.00 0.00 54.13 56.66 4rub s LEU 371 Cb 0.00 -3.84 0.05 0.00 0.50 0.00 0.00 46.19 42.91 4rub s LEU 371 CO 0.00 -0.99 0.99 -2.65 -1.32 0.00 0.00 176.35 172.38 4rub n PRO 372 N 0.11 0.16 -3.99 0.98 -0.02 -1.26 -4.94 135.00 126.04 4rub n PRO 372 Ca 0.03 0.12 -0.23 0.00 -2.02 0.00 0.00 63.50 61.41 4rub n PRO 372 Cb 0.41 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 4rub n PRO 372 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 4rub s GLY 373 N -1.97 1.40 -0.03 -1.23 0.00 -1.26 -4.69 107.32 99.54 4rub s GLY 373 Ca 0.70 -1.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.19 4rub s GLY 373 CO 0.54 -1.22 0.15 0.14 0.00 0.00 0.00 173.10 172.71 4rub s VAL 374 N -1.92 5.28 -0.52 1.40 1.01 -0.48 -2.13 120.40 123.04 4rub s VAL 374 Ca 0.34 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 4rub s VAL 374 Cb -0.09 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.89 4rub s VAL 374 CO 0.28 0.38 1.10 -0.22 0.00 0.00 0.00 175.10 176.64 4rub s LEU 375 N -1.75 3.69 0.47 3.92 2.96 -0.59 -4.01 118.68 123.36 4rub s LEU 375 Ca 0.24 0.20 -0.23 0.00 -0.22 0.00 0.00 54.13 54.12 4rub s LEU 375 Cb -0.12 -3.29 -0.07 0.00 0.50 0.00 0.00 46.19 43.21 4rub s LEU 375 CO 0.15 -1.29 1.23 -2.16 -1.32 0.00 0.00 176.35 172.96 4rub s PRO 376 N 4.45 3.66 -0.10 0.98 0.04 -1.26 -2.91 135.00 139.86 4rub s PRO 376 Ca 0.43 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.46 4rub s PRO 376 Cb -0.08 -2.44 -0.00 0.00 0.04 0.00 0.00 34.50 32.01 4rub s PRO 376 CO 0.28 -0.68 -0.24 0.08 0.04 0.00 0.00 177.00 176.47 4rub s VAL 377 N -1.43 2.06 -0.37 -0.36 1.01 0.53 -0.69 120.40 121.14 4rub s VAL 377 Ca 0.64 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 4rub s VAL 377 Cb -0.33 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.29 4rub s VAL 377 CO 0.40 0.56 0.23 0.00 0.00 0.00 0.00 175.10 176.29 4rub s ALA 378 N 0.29 3.35 0.13 5.51 0.00 0.11 -1.02 121.76 130.13 4rub s ALA 378 Ca -0.17 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.05 4rub s ALA 378 Cb -0.18 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.30 4rub s ALA 378 CO 0.08 -1.29 0.28 0.45 0.00 0.00 0.00 175.76 175.29 4rub s SER 379 N 1.61 0.01 0.00 0.00 0.15 -1.26 0.63 113.70 114.84 4rub s SER 379 Ca 0.04 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.01 4rub s SER 379 Cb -0.19 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 4rub s SER 379 CO 0.08 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.29 4rub n GLY 380 N -0.16 -1.32 3.45 9.45 0.00 -1.26 -4.55 105.19 110.79 4rub n GLY 380 Ca -0.12 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 4rub n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4rub n GLY 381 N 1.28 -0.39 3.34 -0.02 0.00 -1.26 -2.13 105.19 106.01 4rub n GLY 381 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 4rub n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 4rub s ILE 382 N -3.35 2.00 0.22 -0.61 -4.36 -1.26 -3.68 121.20 110.16 4rub s ILE 382 Ca 0.12 -1.70 -0.12 0.00 -0.26 0.00 0.00 60.65 58.69 4rub s ILE 382 Cb -0.05 -1.81 -0.00 0.00 1.25 0.00 0.00 42.46 41.85 4rub s ILE 382 CO 0.73 -0.02 0.44 -1.38 0.24 0.00 0.00 174.94 174.95 4rub s HIS 383 N -1.22 0.31 0.09 1.37 -3.43 -1.26 -4.24 115.29 106.91 4rub s HIS 383 Ca 0.11 -0.66 -0.10 0.00 -0.80 0.00 0.00 55.06 53.61 4rub s HIS 383 Cb -0.10 0.15 0.06 0.00 -1.43 0.00 0.00 32.58 31.27 4rub s HIS 383 CO 0.06 -0.92 0.68 1.55 -2.00 0.00 0.00 174.74 174.11 4rub n VAL 384 N -0.34 -0.26 0.55 -5.38 3.14 -1.26 0.32 118.33 115.11 4rub n VAL 384 Ca -0.04 1.05 0.00 0.00 -2.96 0.00 0.00 64.34 62.39 4rub n VAL 384 Cb 0.62 -1.35 0.00 0.00 -1.06 0.00 0.00 33.84 32.05 4rub n VAL 384 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 4rub n TRP 385 N -4.62 0.00 0.03 1.45 7.02 -1.26 -1.64 117.44 118.42 4rub n TRP 385 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 4rub n TRP 385 Cb 0.16 -0.02 -0.01 0.00 -2.42 0.00 0.00 31.31 29.02 4rub n TRP 385 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 4rub n HIS 386 N -0.05 0.00 -0.09 -5.99 8.25 0.98 -4.82 115.22 113.50 4rub n HIS 386 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 4rub n HIS 386 Cb 0.05 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 4rub n HIS 386 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 4rub n MET 387 N -1.20 -0.09 -0.27 -0.41 1.56 -0.65 -0.33 117.12 115.72 4rub n MET 387 Ca 0.00 0.72 0.14 0.00 -0.27 0.00 0.00 57.70 58.29 4rub n MET 387 Cb 0.02 -1.07 0.42 0.00 2.15 0.00 0.00 33.22 34.74 4rub n MET 387 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 4rub h PRO 388 N 0.00 0.59 0.06 2.12 0.13 -1.88 0.28 132.00 133.29 4rub h PRO 388 Ca 0.03 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 4rub h PRO 388 Cb 0.09 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.08 4rub h PRO 388 CO -0.20 0.39 -0.03 0.00 -0.23 0.00 0.00 178.00 177.93 4rub h ALA 389 N 1.61 -0.08 0.20 -0.56 0.00 -0.97 0.21 119.26 119.66 4rub h ALA 389 Ca 0.47 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.15 4rub h ALA 389 Cb 0.89 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 4rub h ALA 389 CO -0.22 -0.28 -0.32 -0.07 0.00 0.00 0.00 179.25 178.36 4rub h LEU 390 N -0.60 -0.89 -0.71 0.00 3.38 -0.81 1.19 115.31 116.87 4rub h LEU 390 Ca -0.01 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.21 4rub h LEU 390 Cb 0.52 0.32 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 4rub h LEU 390 CO 0.01 -0.42 0.17 0.74 0.09 0.00 0.00 178.44 179.03 4rub h THR 391 N -0.59 0.54 0.60 0.22 2.02 -0.52 1.10 112.91 116.28 4rub h THR 391 Ca 0.01 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 4rub h THR 391 Cb 0.58 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 4rub h THR 391 CO -0.13 0.05 -0.39 -0.08 0.37 0.00 0.00 175.52 175.34 4rub h GLU 392 N 0.27 -0.90 -0.71 6.66 4.22 0.30 -0.70 114.58 123.73 4rub h GLU 392 Ca 0.40 0.06 0.02 0.00 0.08 0.00 0.00 59.36 59.92 4rub h GLU 392 Cb 0.66 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 4rub h GLU 392 CO -0.49 -0.60 0.46 0.82 -2.18 0.00 0.00 179.01 177.02 4rub h ILE 393 N -0.93 1.14 0.04 2.32 2.04 0.21 -3.35 117.51 118.97 4rub h ILE 393 Ca -0.08 -0.31 -0.34 0.00 1.00 0.00 0.00 64.86 65.12 4rub h ILE 393 Cb 0.75 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 4rub h ILE 393 CO 0.07 0.17 -2.04 0.49 0.00 0.00 0.00 178.15 176.83 4rub n PHE 394 N -4.63 0.72 0.00 1.37 3.72 0.37 -5.02 117.46 113.99 4rub n PHE 394 Ca 0.07 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 4rub n PHE 394 Cb 0.05 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.48 4rub n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 4rub n GLY 395 N 1.82 -0.47 0.31 1.37 0.00 -0.27 -4.56 105.19 103.39 4rub n GLY 395 Ca -0.29 -1.74 0.05 0.00 0.00 0.00 0.00 46.02 44.05 4rub n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 4rub h ASP 396 N 0.00 0.63 -0.37 1.61 3.32 -1.87 -3.34 116.42 116.39 4rub h ASP 396 Ca 0.00 0.07 -0.62 0.00 0.02 0.00 0.00 57.03 56.50 4rub h ASP 396 Cb 0.00 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 4rub h ASP 396 CO 0.00 0.32 2.29 0.47 -1.72 0.00 0.00 179.24 180.59 4rub n ASP 397 N -4.79 3.82 -3.50 6.45 8.00 -1.26 -1.89 116.55 123.37 4rub n ASP 397 Ca 0.16 -2.81 -0.12 0.00 0.71 0.00 0.00 54.79 52.73 4rub n ASP 397 Cb 0.36 -1.60 -0.04 0.00 -0.02 0.00 0.00 41.12 39.82 4rub n ASP 397 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 4rub s SER 398 N 4.49 -0.47 -0.14 -2.24 1.04 -1.25 -4.43 113.70 110.69 4rub s SER 398 Ca 0.55 0.24 -0.01 0.00 0.48 0.00 0.00 55.95 57.22 4rub s SER 398 Cb 0.08 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 4rub s SER 398 CO 0.05 -0.63 -0.12 -0.69 0.98 0.00 0.00 173.24 172.83 4rub s VAL 399 N -2.40 3.12 -0.12 5.02 1.01 0.13 -0.88 120.40 126.28 4rub s VAL 399 Ca -0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.37 4rub s VAL 399 Cb -0.01 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.05 4rub s VAL 399 CO -0.03 0.51 -0.23 -0.76 0.00 0.00 0.00 175.10 174.59 4rub s LEU 400 N 0.51 2.13 -0.17 3.92 1.43 0.35 0.04 118.68 126.89 4rub s LEU 400 Ca -0.08 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 4rub s LEU 400 Cb -0.16 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 4rub s LEU 400 CO 0.04 0.13 -0.04 -1.10 0.23 0.00 0.00 176.35 175.61 4rub s GLN 401 N 0.52 3.61 -0.65 1.70 -0.21 0.20 -0.37 119.66 124.48 4rub s GLN 401 Ca -0.14 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 54.72 4rub s GLN 401 Cb -0.17 -2.92 0.16 0.00 1.00 0.00 0.00 33.01 31.08 4rub s GLN 401 CO 0.05 0.17 0.44 -0.06 -2.12 0.00 0.00 175.29 173.76 4rub s PHE 402 N 0.55 3.44 0.00 0.91 0.08 0.49 -4.24 117.98 119.20 4rub s PHE 402 Ca -0.03 -3.13 0.00 0.00 0.12 0.00 0.00 56.93 53.89 4rub s PHE 402 Cb -0.14 -2.91 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 4rub s PHE 402 CO 0.03 -0.70 0.11 0.41 -0.10 0.00 0.00 175.22 174.97 4rub n GLY 403 N 2.71 -0.69 0.16 4.36 0.00 -1.26 -2.73 105.19 107.74 4rub n GLY 403 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 4rub n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 4rub h GLY 404 N 0.00 0.49 0.95 -0.02 0.00 -1.91 -0.04 103.07 102.54 4rub h GLY 404 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 4rub h GLY 404 CO 0.00 0.17 0.07 0.61 0.00 0.00 0.00 176.54 177.39 4rub n GLY 405 N -1.19 -0.14 1.13 4.60 0.00 -1.26 0.15 105.19 108.48 4rub n GLY 405 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 4rub n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 4rub n THR 406 N -1.05 0.10 0.63 2.61 -1.04 -0.15 -4.68 114.28 110.71 4rub n THR 406 Ca 0.00 0.03 0.02 0.00 -2.04 0.00 0.00 64.05 62.07 4rub n THR 406 Cb 0.07 -0.93 0.12 0.00 -1.82 0.00 0.00 70.33 67.78 4rub n THR 406 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 4rub n LEU 407 N -2.60 0.00 -0.01 -4.42 4.32 -0.51 -2.12 117.00 111.67 4rub n LEU 407 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.09 4rub n LEU 407 Cb 0.00 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 4rub n LEU 407 CO 0.00 0.00 -0.04 0.61 -1.22 0.00 0.00 177.39 176.74 4rub n GLY 408 N -0.26 -0.98 3.73 -0.72 0.00 0.12 -4.88 105.19 102.21 4rub n GLY 408 Ca 0.03 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 4rub n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 4rub s HIS 409 N -2.99 3.33 0.60 1.61 5.04 -0.90 -4.93 115.29 117.05 4rub s HIS 409 Ca 0.08 1.25 0.28 0.00 -1.54 0.00 0.00 55.06 55.14 4rub s HIS 409 Cb 0.16 -3.54 1.41 0.00 0.04 0.00 0.00 32.58 30.65 4rub s HIS 409 CO 0.86 -1.67 1.82 -1.00 -2.34 0.00 0.00 174.74 172.41 4rub h PRO 410 N 5.72 0.00 -0.31 2.88 0.13 -1.91 -0.16 132.00 138.35 4rub h PRO 410 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 4rub h PRO 410 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 4rub h PRO 410 CO 0.78 0.00 0.01 0.91 -0.23 0.00 0.00 178.00 179.47 4rub n TRP 411 N -3.55 1.10 0.00 1.56 8.01 -1.26 -5.09 117.44 118.21 4rub n TRP 411 Ca 0.09 -0.92 0.00 0.00 -1.31 0.00 0.00 57.50 55.35 4rub n TRP 411 Cb 0.74 -0.36 0.00 0.00 -2.01 0.00 0.00 31.31 29.68 4rub n TRP 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 4rub n GLY 412 N -0.45 -1.41 0.34 6.99 0.00 -0.07 -4.65 105.19 105.94 4rub n GLY 412 Ca 0.23 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 4rub n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 4rub h ASN 413 N 0.00 -1.56 -0.30 1.61 4.21 -1.83 -0.75 115.58 116.96 4rub h ASN 413 Ca 0.00 0.22 0.04 0.00 1.21 0.00 0.00 56.30 57.77 4rub h ASN 413 Cb 0.00 0.66 -0.06 0.00 -1.12 0.00 0.00 38.32 37.80 4rub h ASN 413 CO 0.00 -0.25 -0.45 0.00 -1.29 0.00 0.00 177.43 175.45 4rub h ALA 414 N -0.10 -0.70 -0.33 -0.83 0.00 -1.84 0.92 119.26 116.38 4rub h ALA 414 Ca 0.09 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.06 4rub h ALA 414 Cb 0.39 1.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 4rub h ALA 414 CO -0.59 -0.91 -0.25 -1.35 0.00 0.00 0.00 179.25 176.15 4rub h PRO 415 N -0.34 -0.21 -0.99 0.00 0.11 -1.82 0.84 132.00 129.61 4rub h PRO 415 Ca 0.05 0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.34 4rub h PRO 415 Cb 0.48 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 31.55 4rub h PRO 415 CO -0.46 -0.14 0.62 0.78 -0.21 0.00 0.00 178.00 178.58 4rub h GLY 416 N -0.22 1.61 0.04 -0.55 0.00 0.53 0.10 103.07 104.59 4rub h GLY 416 Ca 0.16 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 4rub h GLY 416 CO -0.46 0.04 -0.06 0.00 0.00 0.00 0.00 176.54 176.07 4rub h ALA 417 N 1.60 -0.73 -0.86 3.60 0.00 0.31 -1.97 119.26 121.20 4rub h ALA 417 Ca 0.53 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.69 4rub h ALA 417 Cb 0.74 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 4rub h ALA 417 CO -0.30 -0.74 0.14 0.28 0.00 0.00 0.00 179.25 178.62 4rub n VAL 418 N -2.70 -0.36 0.04 0.00 0.31 -0.25 0.06 118.33 115.42 4rub n VAL 418 Ca -0.01 1.85 -0.06 0.00 -0.01 0.00 0.00 64.34 66.10 4rub n VAL 418 Cb 0.05 -2.77 -0.04 0.00 -0.91 0.00 0.00 33.84 30.17 4rub n VAL 418 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 4rub h ALA 419 N 1.71 -0.72 -0.98 3.52 0.00 -0.62 -1.31 119.26 120.86 4rub h ALA 419 Ca 0.57 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.52 4rub h ALA 419 Cb 1.30 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 19.66 4rub h ALA 419 CO -0.77 -0.77 0.63 -0.91 0.00 0.00 0.00 179.25 177.44 4rub h ASN 420 N -0.29 0.99 0.15 0.00 4.21 0.41 0.69 115.58 121.74 4rub h ASN 420 Ca -0.00 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.52 4rub h ASN 420 Cb 0.29 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 4rub h ASN 420 CO -0.12 0.62 -0.11 -0.09 -1.29 0.00 0.00 177.43 176.44 4rub h ARG 421 N 1.11 -0.25 0.19 0.81 9.65 -0.21 -0.25 114.38 125.42 4rub h ARG 421 Ca 0.43 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.32 4rub h ARG 421 Cb 0.22 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 4rub h ARG 421 CO -0.18 -0.17 -0.09 0.28 2.80 0.00 0.00 179.97 182.61 4rub h VAL 422 N -0.26 0.82 -0.73 0.20 2.07 -0.88 1.48 116.25 118.95 4rub h VAL 422 Ca -0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 4rub h VAL 422 Cb 0.24 0.82 -0.14 0.00 -1.52 0.00 0.00 31.29 30.69 4rub h VAL 422 CO -0.01 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.36 4rub h ALA 423 N 0.57 0.38 0.04 1.67 0.00 -0.71 0.68 119.26 121.88 4rub h ALA 423 Ca -0.03 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 4rub h ALA 423 Cb 0.19 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.60 4rub h ALA 423 CO 0.04 -0.47 -0.02 1.25 0.00 0.00 0.00 179.25 180.06 4rub h LEU 424 N -0.03 -0.04 -1.76 0.00 5.85 -0.50 -0.57 115.31 118.25 4rub h LEU 424 Ca 0.34 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.62 4rub h LEU 424 Cb 0.55 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 4rub h LEU 424 CO -0.76 0.45 0.20 -0.33 -0.34 0.00 0.00 178.44 177.66 4rub h GLU 425 N -0.55 0.30 0.67 1.25 5.08 0.31 0.28 114.58 121.93 4rub h GLU 425 Ca -0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 4rub h GLU 425 Cb 0.50 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 4rub h GLU 425 CO 0.01 0.20 -0.48 0.00 -1.00 0.00 0.00 179.01 177.74 4rub h ALA 426 N 1.83 -1.22 -0.88 3.43 0.00 0.38 0.26 119.26 123.06 4rub h ALA 426 Ca 0.12 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.95 4rub h ALA 426 Cb 0.10 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 4rub h ALA 426 CO -0.03 -1.21 0.48 0.00 0.00 0.00 0.00 179.25 178.50 4rub h VAL 428 N 0.70 1.15 -0.34 0.00 2.07 0.08 -0.47 116.25 119.43 4rub h VAL 428 Ca 0.47 -0.29 -0.16 0.00 0.82 0.00 0.00 66.70 67.54 4rub h VAL 428 Cb 0.62 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 4rub h VAL 428 CO -0.34 0.15 -0.40 0.50 0.02 0.00 0.00 177.57 177.49 4rub h LYS 429 N 0.76 0.85 -0.67 1.57 3.64 -0.21 -0.52 116.57 121.98 4rub h LYS 429 Ca 0.20 -0.45 0.06 0.00 -1.27 0.00 0.00 60.65 59.19 4rub h LYS 429 Cb -0.07 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 4rub h LYS 429 CO -0.04 1.09 0.37 0.00 -2.27 0.00 0.00 179.45 178.60 4rub h ALA 430 N 0.84 0.90 -0.04 5.00 0.00 -1.19 1.29 119.26 126.07 4rub h ALA 430 Ca 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 4rub h ALA 430 Cb 0.98 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 4rub h ALA 430 CO 0.09 0.05 0.02 -0.09 0.00 0.00 0.00 179.25 179.33 4rub h ARG 431 N 0.69 0.06 -0.13 0.00 2.43 -0.80 2.11 114.38 118.75 4rub h ARG 431 Ca 0.30 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 4rub h ARG 431 Cb 0.19 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 4rub h ARG 431 CO -0.18 0.13 -0.20 -0.91 -1.51 0.00 0.00 179.97 177.29 4rub h ASN 432 N -0.02 0.21 0.78 -3.80 4.21 0.67 -1.74 115.58 115.89 4rub h ASN 432 Ca 0.02 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.47 4rub h ASN 432 Cb 0.08 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 4rub h ASN 432 CO -0.00 0.43 0.00 -0.62 -1.29 0.00 0.00 177.43 175.94 4rub n GLU 433 N -4.21 0.16 0.00 0.81 -0.58 0.43 -4.85 120.64 112.39 4rub n GLU 433 Ca -0.01 0.35 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 4rub n GLU 433 Cb 0.32 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 4rub n GLU 433 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 4rub n GLY 434 N 0.20 1.07 3.56 0.62 0.00 -0.65 -5.07 105.19 104.92 4rub n GLY 434 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 4rub n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4rub s ARG 435 N -0.45 -1.57 -0.51 1.61 0.52 0.71 -4.98 118.95 114.28 4rub s ARG 435 Ca 0.00 -0.13 -0.00 0.00 -0.52 0.00 0.00 55.73 55.07 4rub s ARG 435 Cb 0.00 -1.56 0.13 0.00 0.52 0.00 0.00 34.95 34.04 4rub s ARG 435 CO 0.00 -3.93 0.29 0.34 0.02 0.00 0.00 175.30 172.03 4rub s ASP 436 N -3.91 4.96 0.32 0.23 -1.08 -1.26 -4.59 116.67 111.33 4rub s ASP 436 Ca 0.71 -2.62 0.06 0.00 -0.52 0.00 0.00 52.55 50.19 4rub s ASP 436 Cb -0.09 -1.77 0.88 0.00 -1.46 0.00 0.00 42.92 40.49 4rub s ASP 436 CO 0.56 -0.38 1.53 0.18 0.52 0.00 0.00 175.17 177.58 4rub n LEU 437 N 3.74 -0.00 0.19 -1.34 7.99 -1.26 0.86 117.00 127.18 4rub n LEU 437 Ca 0.04 1.64 -0.12 0.00 -0.01 0.00 0.00 56.01 57.56 4rub n LEU 437 Cb 0.38 -0.65 -0.07 0.00 -0.11 0.00 0.00 43.42 42.97 4rub n LEU 437 CO 0.32 -1.71 0.43 0.00 -1.51 0.00 0.00 177.39 174.93 4rub h ALA 438 N 1.95 -0.53 0.26 -1.18 0.00 -1.93 0.12 119.26 117.96 4rub h ALA 438 Ca 0.65 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 4rub h ALA 438 Cb 1.45 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.45 4rub h ALA 438 CO -0.88 -0.59 -0.13 1.96 0.00 0.00 0.00 179.25 179.62 4rub h GLN 439 N -0.94 -0.34 0.00 0.00 4.20 -1.60 -3.31 115.11 113.11 4rub h GLN 439 Ca -0.05 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.68 4rub h GLN 439 Cb 0.55 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.40 4rub h GLN 439 CO 0.09 -0.23 0.00 0.39 -0.67 0.00 0.00 178.83 178.41 4rub n GLU 440 N -3.33 0.23 0.00 1.46 1.02 0.25 -4.49 120.64 115.78 4rub n GLU 440 Ca -0.04 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 4rub n GLU 440 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 4rub n GLU 440 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4rub n GLY 441 N -0.51 0.00 0.40 0.62 0.00 0.43 -2.65 105.19 103.47 4rub n GLY 441 Ca 0.06 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.39 4rub n GLY 441 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 4rub n ASN 442 N 0.00 0.03 -0.05 1.61 2.85 -1.26 -0.66 115.26 117.77 4rub n ASN 442 Ca 0.00 0.65 -0.14 0.00 -0.11 0.00 0.00 54.58 54.98 4rub n ASN 442 Cb 0.00 -0.33 -0.12 0.00 1.24 0.00 0.00 39.78 40.57 4rub n ASN 442 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 4rub h GLU 443 N 0.00 0.02 -0.89 1.20 4.57 -1.85 -2.75 114.58 114.88 4rub h GLU 443 Ca 0.57 -0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.86 4rub h GLU 443 Cb 2.19 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 30.64 4rub h GLU 443 CO -0.06 0.91 -0.39 0.82 -1.18 0.00 0.00 179.01 179.11 4rub h ILE 444 N -0.86 0.04 -0.01 2.32 2.04 -0.81 3.75 117.51 123.99 4rub h ILE 444 Ca -0.01 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.66 4rub h ILE 444 Cb 0.93 0.04 0.02 0.00 -0.74 0.00 0.00 36.82 37.07 4rub h ILE 444 CO 0.01 0.00 -0.74 0.16 0.00 0.00 0.00 178.15 177.58 4rub h ILE 445 N -0.05 1.37 -0.95 -0.67 -0.00 -1.67 -2.72 117.51 112.83 4rub h ILE 445 Ca 0.30 -2.12 0.26 0.00 -0.00 0.00 0.00 64.86 63.31 4rub h ILE 445 Cb 0.58 2.50 -0.14 0.00 -0.00 0.00 0.00 36.82 39.76 4rub h ILE 445 CO -0.91 0.63 0.46 -0.09 -0.00 0.00 0.00 178.15 178.25 4rub h ARG 446 N 0.07 0.36 -0.16 0.16 2.43 -0.38 0.91 114.38 117.77 4rub h ARG 446 Ca -0.09 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 4rub h ARG 446 Cb 1.43 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 4rub h ARG 446 CO 0.15 0.24 0.08 0.93 -1.51 0.00 0.00 179.97 179.86 4rub h GLU 447 N 0.37 0.23 -0.23 0.20 5.08 0.70 -3.04 114.58 117.88 4rub h GLU 447 Ca 0.64 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.80 4rub h GLU 447 Cb 1.31 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 4rub h GLU 447 CO -0.57 0.24 -0.53 0.00 -1.00 0.00 0.00 179.01 177.15 4rub h ALA 448 N 0.97 0.62 -0.77 3.43 0.00 -0.45 -1.85 119.26 121.21 4rub h ALA 448 Ca 0.06 -0.51 0.19 0.00 0.00 0.00 0.00 54.91 54.65 4rub h ALA 448 Cb 0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 4rub h ALA 448 CO -0.01 0.68 0.53 0.00 0.00 0.00 0.00 179.25 180.46 4rub h LYS 450 N 0.23 -0.34 0.00 0.00 1.57 -1.22 -2.99 116.57 113.81 4rub h LYS 450 Ca 0.38 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 4rub h LYS 450 Cb 1.15 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.54 4rub h LYS 450 CO -0.09 -0.23 0.00 -2.67 -0.57 0.00 0.00 179.45 175.90 4rub n TRP 451 N -5.28 0.96 -3.90 -1.35 4.27 0.41 -4.77 117.44 107.78 4rub n TRP 451 Ca -0.08 0.29 -0.35 0.00 -3.89 0.00 0.00 57.50 53.46 4rub n TRP 451 Cb 0.20 -0.96 -0.14 0.00 -1.36 0.00 0.00 31.31 29.04 4rub n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 4rub s SER 452 N -4.57 4.42 0.18 -0.67 0.15 0.48 -5.00 113.70 108.71 4rub s SER 452 Ca 0.10 -0.62 -0.13 0.00 0.70 0.00 0.00 55.95 56.00 4rub s SER 452 Cb 0.12 -1.73 0.16 0.00 -1.71 0.00 0.00 66.02 62.85 4rub s SER 452 CO 0.59 -0.09 1.77 -0.65 1.20 0.00 0.00 173.24 176.05 4rub h PRO 453 N 8.10 0.42 -0.18 5.44 0.11 -1.86 1.72 132.00 145.75 4rub h PRO 453 Ca -0.37 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 4rub h PRO 453 Cb 1.14 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 4rub h PRO 453 CO 0.59 0.28 -0.15 0.93 -0.21 0.00 0.00 178.00 179.44 4rub h GLU 454 N 0.43 0.42 -0.93 1.05 3.07 -1.93 -2.19 114.58 114.49 4rub h GLU 454 Ca 0.23 -0.21 0.06 0.00 -0.50 0.00 0.00 59.36 58.94 4rub h GLU 454 Cb 0.19 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.04 4rub h GLU 454 CO -0.20 0.77 0.59 1.25 -1.40 0.00 0.00 179.01 180.02 4rub h LEU 455 N 0.08 0.95 0.56 1.33 5.85 -1.59 -2.65 115.31 119.84 4rub h LEU 455 Ca 0.03 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 4rub h LEU 455 Cb 0.68 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 4rub h LEU 455 CO 0.04 0.61 -0.35 0.00 -0.34 0.00 0.00 178.44 178.39 4rub h ALA 456 N 1.43 -0.89 -1.00 1.25 0.00 0.27 -1.58 119.26 118.74 4rub h ALA 456 Ca 0.40 -0.17 0.39 0.00 0.00 0.00 0.00 54.91 55.53 4rub h ALA 456 Cb 0.16 0.44 -0.18 0.00 0.00 0.00 0.00 17.79 18.22 4rub h ALA 456 CO -0.17 -1.01 0.47 0.00 0.00 0.00 0.00 179.25 178.53 4rub h ALA 457 N -0.51 2.00 -0.10 0.00 0.00 -1.15 0.19 119.26 119.69 4rub h ALA 457 Ca -0.07 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.11 4rub h ALA 457 Cb 0.71 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.85 4rub h ALA 457 CO 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 179.25 178.46 4rub n ALA 458 N -2.39 -0.44 -0.30 0.00 0.00 -0.99 -3.10 120.51 113.29 4rub n ALA 458 Ca 0.35 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.93 4rub n ALA 458 Cb 1.17 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.89 4rub n ALA 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4rub h GLU 460 N 0.00 -0.12 -0.15 0.00 4.39 -1.25 -0.51 114.58 116.94 4rub h GLU 460 Ca 0.54 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.24 4rub h GLU 460 Cb 1.14 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 4rub h GLU 460 CO -0.80 -0.08 0.08 0.28 -1.16 0.00 0.00 179.01 177.33 4rub h VAL 461 N -0.13 1.12 -0.71 3.13 2.07 -0.91 -3.28 116.25 117.55 4rub h VAL 461 Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 4rub h VAL 461 Cb 0.12 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 4rub h VAL 461 CO -0.02 0.11 0.00 0.79 0.02 0.00 0.00 177.57 178.48 4rub n TRP 462 N -4.90 0.94 -0.18 1.57 8.01 -0.87 -4.74 117.44 117.26 4rub n TRP 462 Ca -0.04 -0.49 -0.11 0.00 -1.31 0.00 0.00 57.50 55.54 4rub n TRP 462 Cb 0.09 -0.00 -0.09 0.00 -2.01 0.00 0.00 31.31 29.30 4rub n TRP 462 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 4rub h LYS 463 N 4.18 -0.25 -0.03 -0.99 3.64 -1.14 -2.25 116.57 119.72 4rub h LYS 463 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 4rub h LYS 463 Cb 0.98 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 4rub h LYS 463 CO 0.00 -0.17 0.00 0.39 -2.27 0.00 0.00 179.45 177.40 4rub n GLU 464 N -4.99 0.64 -3.59 1.90 -0.58 -1.26 -4.89 120.64 107.87 4rub n GLU 464 Ca -0.02 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.36 4rub n GLU 464 Cb 0.28 -1.01 -0.07 0.00 -0.57 0.00 0.00 31.44 30.06 4rub n GLU 464 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 4rub s ILE 465 N -1.96 5.30 0.19 -3.67 -1.09 -0.85 -5.07 121.20 114.05 4rub s ILE 465 Ca 0.00 0.52 -0.10 0.00 -2.23 0.00 0.00 60.65 58.84 4rub s ILE 465 Cb 0.00 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 4rub s ILE 465 CO 0.00 0.44 0.34 0.68 -1.23 0.00 0.00 174.94 175.17 4rub s VAL 466 N 0.09 0.04 -0.47 2.92 -7.23 -1.26 -5.07 120.40 109.41 4rub s VAL 466 Ca 0.17 -1.40 0.09 0.00 -1.81 0.00 0.00 61.98 59.02 4rub s VAL 466 Cb -0.13 -1.97 0.32 0.00 0.56 0.00 0.00 36.38 35.16 4rub s VAL 466 CO 0.05 -0.18 0.78 0.49 -0.31 0.00 0.00 175.10 175.92 4rub n PHE 467 N -0.27 1.76 -3.25 2.82 3.01 -1.26 -5.05 117.46 115.22 4rub n PHE 467 Ca -0.05 -3.88 -0.39 0.00 1.01 0.00 0.00 57.45 54.14 4rub n PHE 467 Cb 0.63 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 39.59 4rub n PHE 467 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 4rub s ASN 468 N -2.61 6.67 -0.28 4.37 2.47 -1.26 -4.84 114.94 119.45 4rub s ASN 468 Ca 0.42 0.80 -0.22 0.00 0.42 0.00 0.00 52.86 54.29 4rub s ASN 468 Cb 0.28 -2.31 0.09 0.00 -1.45 0.00 0.00 41.25 37.87 4rub s ASN 468 CO -0.10 -0.10 0.79 -0.36 -3.72 0.00 0.00 177.10 173.62 4rub s PHE 469 N 1.11 -0.79 -0.28 0.43 0.40 -1.26 -5.14 117.98 112.46 4rub s PHE 469 Ca 0.27 1.77 -0.28 0.00 -0.60 0.00 0.00 56.93 58.09 4rub s PHE 469 Cb -0.15 0.40 -0.05 0.00 0.51 0.00 0.00 43.02 43.72 4rub s PHE 469 CO 0.11 -0.38 2.22 0.00 0.70 0.00 0.00 175.22 177.86 4rub s ALA 470 N 0.79 2.55 0.87 5.36 0.00 -1.26 -4.96 121.76 125.12 4rub s ALA 470 Ca -0.03 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.41 4rub s ALA 470 Cb -0.05 -4.12 0.07 0.00 0.00 0.00 0.00 23.12 19.03 4rub s ALA 470 CO -0.08 -3.07 0.87 0.00 0.00 0.00 0.00 175.76 173.48 4rub n ALA 471 N 12.32 -1.18 -2.00 0.00 0.00 -1.26 -5.08 120.51 123.30 4rub n ALA 471 Ca 0.30 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.28 4rub n ALA 471 Cb 0.47 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.86 4rub n ALA 471 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 4rub n VAL 472 N -3.55 0.00 0.00 0.00 0.31 -1.26 -5.17 118.33 108.66 4rub n VAL 472 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 4rub n VAL 472 Cb 0.52 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 4rub n VAL 472 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98