#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 -0.22 -1.38 0.00 3.41 -1.26 -4.98 113.62 109.19 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 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 1.09 -5.27 -1.30 -3.33 0.31 -1.26 -4.93 118.33 103.64 4rub n VAL 11 Ca 0.00 0.91 -0.38 0.00 -0.01 0.00 0.00 64.34 64.86 4rub n VAL 11 Cb 0.00 -3.88 0.03 0.00 -0.91 0.00 0.00 33.84 29.09 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 0.52 -2.47 3.69 2.92 0.00 -1.26 -4.85 105.19 103.74 4rub n GLY 12 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.89 3.16 -0.32 1.61 5.36 -1.26 -4.97 117.98 119.67 4rub s PHE 13 Ca 0.61 1.13 0.02 0.00 -0.96 0.00 0.00 56.93 57.73 4rub s PHE 13 Cb -0.43 -3.48 0.10 0.00 -0.34 0.00 0.00 43.02 38.87 4rub s PHE 13 CO 0.62 -1.59 0.05 0.21 -1.46 0.00 0.00 175.22 173.05 4rub s LYS 14 N 2.01 1.24 0.57 10.12 2.20 -1.26 -5.10 119.74 129.52 4rub s LYS 14 Ca 0.58 -1.52 -0.19 0.00 -0.36 0.00 0.00 55.97 54.48 4rub s LYS 14 Cb -0.27 -2.73 -0.06 0.00 -1.51 0.00 0.00 37.83 33.25 4rub s LYS 14 CO 0.25 -0.92 0.89 0.00 -0.36 0.00 0.00 175.35 175.20 4rub n ALA 15 N 4.49 -0.07 0.00 3.13 0.00 -1.26 -4.83 120.51 121.97 4rub n ALA 15 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 4rub n ALA 15 Cb 0.42 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 1.36 3.04 3.79 0.00 0.00 -1.26 -4.93 105.19 107.20 4rub n GLY 16 Ca 0.13 -2.02 -0.31 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 -2.74 3.67 -0.04 1.61 1.01 -1.26 -1.44 120.40 121.21 4rub s VAL 17 Ca 0.00 0.60 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 4rub s VAL 17 Cb 0.00 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.24 4rub s VAL 17 CO 0.00 -0.65 0.55 -0.54 0.00 0.00 0.00 175.10 174.47 4rub s LYS 18 N -4.74 0.93 0.60 2.72 1.02 -1.26 -4.89 119.74 114.11 4rub s LYS 18 Ca 0.61 0.10 -0.17 0.00 0.02 0.00 0.00 55.97 56.54 4rub s LYS 18 Cb -0.16 0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 37.55 4rub s LYS 18 CO 0.51 -0.28 1.10 -1.21 -0.92 0.00 0.00 175.35 174.54 4rub s GLU 19 N -1.24 3.15 0.21 1.68 8.01 -1.26 -4.90 118.70 124.35 4rub s GLU 19 Ca -0.12 1.40 -0.10 0.00 0.01 0.00 0.00 54.97 56.16 4rub s GLU 19 Cb -0.02 -2.00 0.23 0.00 -4.31 0.00 0.00 34.13 28.04 4rub s GLU 19 CO 0.08 -0.97 1.80 1.88 0.01 0.00 0.00 175.26 178.06 4rub h TYR 20 N 0.56 0.63 -0.75 1.61 0.05 -1.91 -2.92 116.97 114.24 4rub h TYR 20 Ca -0.48 0.02 0.22 0.00 0.05 0.00 0.00 58.73 58.54 4rub h TYR 20 Cb 1.24 -0.19 -0.14 0.00 1.01 0.00 0.00 36.73 38.65 4rub h TYR 20 CO 0.55 0.30 0.05 1.17 -1.05 0.00 0.00 178.16 179.18 4rub n LYS 21 N -4.81 -0.06 -0.20 4.88 4.81 -1.26 -0.78 118.16 120.74 4rub n LYS 21 Ca 0.08 1.12 0.17 0.00 -0.87 0.00 0.00 58.31 58.81 4rub n LYS 21 Cb 0.18 -1.80 0.50 0.00 0.02 0.00 0.00 35.03 33.92 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 0.41 0.00 3.14 -0.00 -1.84 -2.99 115.31 114.03 4rub h LEU 22 Ca 0.48 0.03 -0.08 0.00 -0.00 0.00 0.00 57.88 58.31 4rub h LEU 22 Cb 1.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 4rub h LEU 22 CO -0.70 0.20 -1.28 0.41 -0.00 0.00 0.00 178.44 177.07 4rub n THR 23 N -4.49 0.28 0.21 0.22 -1.04 0.04 -4.80 114.28 104.70 4rub n THR 23 Ca 0.16 -0.17 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 4rub n THR 23 Cb 0.59 -0.87 0.16 0.00 -1.82 0.00 0.00 70.33 68.40 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 -2.21 0.39 -3.65 -1.42 4.02 -0.11 -4.71 117.16 109.46 4rub n TYR 24 Ca -0.07 -0.26 -0.40 0.00 -0.01 0.00 0.00 57.90 57.17 4rub n TYR 24 Cb 0.63 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 39.83 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 -1.24 3.27 -0.45 -0.72 5.04 -1.13 -0.01 117.35 122.11 4rub s TYR 25 Ca 0.30 -1.23 0.08 0.00 -2.44 0.00 0.00 57.07 53.78 4rub s TYR 25 Cb 0.17 -2.48 0.27 0.00 0.35 0.00 0.00 41.96 40.28 4rub s TYR 25 CO 0.24 -0.71 0.63 2.41 -1.34 0.00 0.00 175.55 176.78 4rub n THR 26 N 4.92 0.27 0.26 4.34 -1.04 0.11 -4.85 114.28 118.29 4rub n THR 26 Ca -0.12 -4.46 0.10 0.00 -2.04 0.00 0.00 64.05 57.53 4rub n THR 26 Cb 0.45 -1.68 0.46 0.00 -1.82 0.00 0.00 70.33 67.75 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 1.00 0.13 -0.18 -2.82 -0.04 -1.26 -1.81 135.00 130.03 4rub n PRO 27 Ca 0.24 0.51 -0.08 0.00 -0.04 0.00 0.00 63.50 64.13 4rub n PRO 27 Cb 0.52 -1.84 0.01 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.78 -6.11 0.54 3.07 -1.92 -3.46 114.58 107.48 4rub h GLU 28 Ca 0.00 -0.16 -0.73 0.00 -0.50 0.00 0.00 59.36 57.97 4rub h GLU 28 Cb 0.16 -0.12 0.06 0.00 -0.84 0.00 0.00 28.75 28.02 4rub h GLU 28 CO 0.00 0.71 0.08 0.98 -1.40 0.00 0.00 179.01 179.38 4rub n TYR 29 N -4.51 0.74 -3.79 4.33 9.36 -0.75 -4.98 117.16 117.55 4rub n TYR 29 Ca 0.02 0.91 -0.37 0.00 3.32 0.00 0.00 57.90 61.77 4rub n TYR 29 Cb 0.18 -2.15 -0.12 0.00 -0.63 0.00 0.00 39.34 36.62 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 -0.13 2.47 0.51 2.98 -1.52 -1.26 -5.00 119.66 117.70 4rub s GLN 30 Ca 0.83 -1.33 -0.23 0.00 -1.95 0.00 0.00 55.36 52.68 4rub s GLN 30 Cb -1.09 -3.42 -0.06 0.00 -0.22 0.00 0.00 33.01 28.22 4rub s GLN 30 CO 0.54 -0.74 1.38 0.95 -0.25 0.00 0.00 175.29 177.18 4rub s THR 31 N 1.32 2.08 0.11 -0.19 -4.23 -1.26 -5.02 115.64 108.44 4rub s THR 31 Ca -0.01 0.07 -0.00 0.00 -1.18 0.00 0.00 61.69 60.56 4rub s THR 31 Cb -0.20 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 4rub s THR 31 CO 0.00 0.00 0.28 -0.54 -0.54 0.00 0.00 174.62 173.82 4rub s LYS 32 N -2.73 3.48 0.07 3.99 3.01 -1.26 -4.98 119.74 121.32 4rub s LYS 32 Ca 0.67 -0.41 0.10 0.00 -1.01 0.00 0.00 55.97 55.33 4rub s LYS 32 Cb -0.42 -2.97 0.47 0.00 -1.01 0.00 0.00 37.83 33.91 4rub s LYS 32 CO 0.51 0.54 1.32 -0.25 0.51 0.00 0.00 175.35 177.98 4rub n ASP 33 N -0.05 0.14 -0.56 2.83 8.00 -1.26 -1.54 116.55 124.11 4rub n ASP 33 Ca -0.05 0.55 0.10 0.00 0.71 0.00 0.00 54.79 56.10 4rub n ASP 33 Cb 0.52 -0.58 0.03 0.00 -0.02 0.00 0.00 41.12 41.07 4rub n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 4rub n THR 34 N -1.68 0.00 -2.19 -3.53 -2.24 -1.26 -4.66 114.28 98.72 4rub n THR 34 Ca 0.01 -0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 61.06 4rub n THR 34 Cb 0.09 1.29 -0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 -2.04 6.00 -0.18 3.42 1.01 -0.59 -3.88 116.67 120.42 4rub s ASP 35 Ca 0.19 2.36 -0.18 0.00 0.71 0.00 0.00 52.55 55.63 4rub s ASP 35 Cb 0.16 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 4rub s ASP 35 CO 0.41 -1.03 0.48 -0.63 0.21 0.00 0.00 175.17 174.61 4rub s ILE 36 N -1.53 5.15 0.10 0.77 1.09 0.49 -4.43 121.20 122.85 4rub s ILE 36 Ca 0.65 0.90 0.08 0.00 -1.10 0.00 0.00 60.65 61.18 4rub s ILE 36 Cb -0.30 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.25 4rub s ILE 36 CO 0.36 0.23 -0.15 -0.76 -0.10 0.00 0.00 174.94 174.53 4rub s LEU 37 N 1.28 2.84 -0.01 2.97 1.43 -1.07 0.13 118.68 126.25 4rub s LEU 37 Ca 0.23 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 4rub s LEU 37 Cb -0.15 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.42 4rub s LEU 37 CO 0.09 0.19 -0.00 0.00 0.23 0.00 0.00 176.35 176.86 4rub s ALA 38 N -1.15 0.15 -0.68 4.21 0.00 0.25 0.64 121.76 125.17 4rub s ALA 38 Ca 0.19 0.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.06 4rub s ALA 38 Cb -0.11 -0.12 0.17 0.00 0.00 0.00 0.00 23.12 23.07 4rub s ALA 38 CO 0.11 -0.01 0.62 0.00 0.00 0.00 0.00 175.76 176.48 4rub s ALA 39 N 0.35 3.85 -0.06 0.00 0.00 -0.23 0.24 121.76 125.90 4rub s ALA 39 Ca -0.03 -2.96 -0.11 0.00 0.00 0.00 0.00 51.96 48.86 4rub s ALA 39 Cb -0.05 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 4rub s ALA 39 CO -0.01 -2.14 0.28 -0.06 0.00 0.00 0.00 175.76 173.83 4rub s PHE 40 N 0.80 3.65 -0.57 0.00 0.08 0.11 -1.24 117.98 120.81 4rub s PHE 40 Ca 0.11 0.76 -0.18 0.00 0.12 0.00 0.00 56.93 57.75 4rub s PHE 40 Cb -0.20 -2.14 0.12 0.00 -0.57 0.00 0.00 43.02 40.24 4rub s PHE 40 CO -0.03 0.66 0.61 0.50 -0.10 0.00 0.00 175.22 176.86 4rub s ARG 41 N -0.96 3.02 0.06 0.44 3.52 0.45 -0.73 118.95 124.76 4rub s ARG 41 Ca 0.19 -1.51 -0.03 0.00 -0.13 0.00 0.00 55.73 54.25 4rub s ARG 41 Cb -0.14 -4.29 -0.05 0.00 -1.56 0.00 0.00 34.95 28.91 4rub s ARG 41 CO 0.09 -1.44 0.27 0.54 -0.81 0.00 0.00 175.30 173.94 4rub s VAL 42 N 2.17 5.31 -0.30 7.11 0.11 0.00 -2.40 120.40 132.41 4rub s VAL 42 Ca 0.08 -0.09 -0.03 0.00 -2.93 0.00 0.00 61.98 59.00 4rub s VAL 42 Cb -0.27 -3.60 0.10 0.00 -1.53 0.00 0.00 36.38 31.09 4rub s VAL 42 CO 0.05 0.20 0.13 -0.89 -3.33 0.00 0.00 175.10 171.26 4rub s THR 43 N -1.46 0.13 1.11 5.04 2.01 -1.05 -0.42 115.64 120.99 4rub s THR 43 Ca 0.33 -0.92 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 4rub s THR 43 Cb -0.13 -1.13 0.26 0.00 0.01 0.00 0.00 72.50 71.51 4rub s THR 43 CO 0.22 -0.73 1.23 -2.84 -0.69 0.00 0.00 174.62 171.82 4rub s PRO 44 N 1.97 -0.51 -0.11 4.92 0.02 -1.26 -1.87 135.00 138.17 4rub s PRO 44 Ca 0.09 -0.33 -0.14 0.00 0.02 0.00 0.00 61.00 60.65 4rub s PRO 44 Cb -0.16 -1.70 -0.05 0.00 0.02 0.00 0.00 34.50 32.60 4rub s PRO 44 CO -0.33 -3.19 0.32 -1.14 -0.33 0.00 0.00 177.00 172.32 4rub s GLN 45 N -5.71 4.07 0.00 5.54 2.00 -0.88 -4.45 119.66 120.22 4rub s GLN 45 Ca 0.74 0.18 0.00 0.00 -2.00 0.00 0.00 55.36 54.28 4rub s GLN 45 Cb -0.05 -3.34 0.00 0.00 0.80 0.00 0.00 33.01 30.41 4rub s GLN 45 CO 0.55 0.42 0.00 -2.30 -0.50 0.00 0.00 175.29 173.46 4rub n PRO 46 N 2.91 0.00 -0.25 1.67 -0.02 -1.26 0.15 135.00 138.21 4rub n PRO 46 Ca -0.13 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.40 4rub n PRO 46 Cb 0.52 0.00 0.16 0.00 -0.02 0.00 0.00 33.50 34.16 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 1.12 3.48 -1.23 0.00 -1.26 -4.88 105.19 102.19 4rub n GLY 47 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.64 5.18 0.42 1.61 1.01 0.41 -5.04 120.40 122.36 4rub s VAL 48 Ca 0.23 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 4rub s VAL 48 Cb 0.14 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 4rub s VAL 48 CO 0.12 -0.32 1.31 -0.81 0.00 0.00 0.00 175.10 175.41 4rub n PRO 49 N 5.36 2.03 -0.31 2.72 -0.04 -1.26 -4.66 135.00 138.84 4rub n PRO 49 Ca -0.09 0.72 -0.04 0.00 -0.04 0.00 0.00 63.50 64.05 4rub n PRO 49 Cb 0.48 -2.44 0.08 0.00 -0.04 0.00 0.00 33.50 31.57 4rub n PRO 49 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 4rub h PRO 50 N 2.18 1.12 0.00 0.54 0.13 -1.98 0.13 132.00 134.11 4rub h PRO 50 Ca -0.48 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 4rub h PRO 50 Cb 1.29 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.17 4rub h PRO 50 CO 0.60 0.75 0.00 -0.85 -0.23 0.00 0.00 178.00 178.27 4rub n GLU 51 N -4.48 0.28 -0.14 0.86 0.00 -1.26 0.04 120.64 115.94 4rub n GLU 51 Ca 0.09 0.09 -0.29 0.00 0.00 0.00 0.00 57.16 57.06 4rub n GLU 51 Cb 0.02 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.86 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 -1.16 0.59 -0.06 3.44 4.07 0.36 -3.17 120.64 124.70 4rub n GLU 52 Ca 0.08 0.30 -0.12 0.00 -0.06 0.00 0.00 57.16 57.36 4rub n GLU 52 Cb 0.08 -1.52 -0.06 0.00 -0.06 0.00 0.00 31.44 29.87 4rub n GLU 52 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 4rub h ALA 53 N -0.94 -0.56 -0.76 4.31 0.00 -0.46 0.11 119.26 120.97 4rub h ALA 53 Ca -0.66 0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.43 4rub h ALA 53 Cb 1.57 0.87 -0.11 0.00 0.00 0.00 0.00 17.79 20.12 4rub h ALA 53 CO -0.40 -0.92 0.23 0.78 0.00 0.00 0.00 179.25 178.94 4rub h GLY 54 N -0.43 1.12 1.55 0.00 0.00 -0.59 -1.34 103.07 103.38 4rub h GLY 54 Ca 0.10 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 4rub h GLY 54 CO -0.48 -0.19 -0.45 0.00 0.00 0.00 0.00 176.54 175.42 4rub h ALA 55 N 1.61 0.85 -0.16 3.60 0.00 -1.09 -2.18 119.26 121.89 4rub h ALA 55 Ca 0.44 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 4rub h ALA 55 Cb 0.74 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 4rub h ALA 55 CO -0.49 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.34 4rub h ALA 56 N 1.11 0.23 -0.67 0.00 0.00 -0.01 0.14 119.26 120.06 4rub h ALA 56 Ca 0.03 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.76 4rub h ALA 56 Cb 0.94 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 4rub h ALA 56 CO 0.08 0.03 0.31 0.28 0.00 0.00 0.00 179.25 179.95 4rub h VAL 57 N 0.01 0.83 -0.11 0.00 2.07 -1.17 -1.38 116.25 116.51 4rub h VAL 57 Ca 0.04 -0.19 -0.17 0.00 0.82 0.00 0.00 66.70 67.20 4rub h VAL 57 Cb 0.54 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 4rub h VAL 57 CO 0.02 0.10 -0.65 0.00 0.02 0.00 0.00 177.57 177.06 4rub h ALA 58 N 1.42 0.67 0.24 1.67 0.00 -1.27 -3.21 119.26 118.78 4rub h ALA 58 Ca 0.33 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 4rub h ALA 58 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 4rub h ALA 58 CO -0.27 0.73 -0.12 0.00 0.00 0.00 0.00 179.25 179.59 4rub h ALA 59 N 0.99 -0.32 0.00 0.00 0.00 -0.01 -3.16 119.26 116.76 4rub h ALA 59 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 4rub h ALA 59 Cb 1.20 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.12 4rub h ALA 59 CO 0.11 -0.47 0.00 0.39 0.00 0.00 0.00 179.25 179.29 4rub n GLU 60 N -5.05 0.75 0.00 0.00 -0.58 -0.59 -1.38 120.64 113.79 4rub n GLU 60 Ca -0.09 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.67 4rub n GLU 60 Cb 0.26 -1.04 -0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 -0.54 0.73 0.00 1.62 2.88 -1.21 -4.57 113.62 112.53 4rub n SER 61 Ca 0.01 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 4rub n SER 61 Cb 0.01 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.45 0.00 -0.01 -3.46 3.41 -0.48 -4.41 113.62 108.22 4rub n SER 62 Ca 0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.62 4rub n SER 62 Cb 0.08 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.56 0.10 -3.29 6.66 -2.24 -1.01 -4.93 114.28 108.01 4rub n THR 63 Ca 0.00 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 4rub n THR 63 Cb 0.00 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 -2.89 1.69 0.00 3.38 0.00 -0.48 -5.04 107.32 103.99 4rub s GLY 64 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.22 4rub s GLY 64 CO 0.11 -1.36 0.00 -0.37 0.00 0.00 0.00 173.10 171.48 4rub n THR 65 N -1.74 0.00 0.90 0.90 5.66 -1.26 -3.94 114.28 114.79 4rub n THR 65 Ca 0.02 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.16 4rub n THR 65 Cb 0.58 0.00 0.56 0.00 -1.55 0.00 0.00 70.33 69.93 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 0.17 -4.34 1.09 4.27 -1.26 -4.91 117.44 112.46 4rub n TRP 66 Ca 0.00 0.05 -0.20 0.00 -3.89 0.00 0.00 57.50 53.46 4rub n TRP 66 Cb 0.00 -0.58 -0.08 0.00 -1.36 0.00 0.00 31.31 29.29 4rub n TRP 66 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 4rub s THR 67 N -3.02 0.19 -0.25 -1.67 -1.32 -1.26 -4.59 115.64 103.71 4rub s THR 67 Ca 0.13 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.40 4rub s THR 67 Cb 0.17 -2.46 -0.02 0.00 -1.51 0.00 0.00 72.50 68.69 4rub s THR 67 CO 0.52 0.00 0.67 -0.89 -2.21 0.00 0.00 174.62 172.71 4rub s THR 68 N -3.46 4.96 -0.14 5.08 2.01 -0.52 -4.93 115.64 118.64 4rub s THR 68 Ca 0.36 1.22 -0.02 0.00 0.31 0.00 0.00 61.69 63.55 4rub s THR 68 Cb 0.03 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 4rub s THR 68 CO 0.22 0.01 -0.07 0.68 -0.69 0.00 0.00 174.62 174.78 4rub s VAL 69 N 2.54 3.63 0.38 3.82 -7.23 -1.26 -4.32 120.40 117.97 4rub s VAL 69 Ca 0.28 -0.45 0.14 0.00 -1.81 0.00 0.00 61.98 60.13 4rub s VAL 69 Cb -0.15 -2.57 0.35 0.00 0.56 0.00 0.00 36.38 34.57 4rub s VAL 69 CO 0.08 0.51 1.84 4.11 -0.31 0.00 0.00 175.10 181.34 4rub h TRP 70 N 6.61 0.70 -0.40 2.82 5.08 -1.98 -2.78 115.95 126.00 4rub h TRP 70 Ca -0.30 0.02 0.12 0.00 1.08 0.00 0.00 58.89 59.80 4rub h TRP 70 Cb 1.20 -0.21 -0.02 0.00 -3.00 0.00 0.00 29.16 27.13 4rub h TRP 70 CO 0.52 0.20 0.63 1.79 -1.28 0.00 0.00 178.44 180.30 4rub h THR 71 N 0.54 0.17 -0.67 0.12 1.35 -2.03 -1.50 112.91 110.90 4rub h THR 71 Ca 0.48 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 66.45 4rub h THR 71 Cb 1.02 0.46 -0.04 0.00 -1.73 0.00 0.00 68.15 67.86 4rub h THR 71 CO -0.22 0.00 0.44 0.44 -0.25 0.00 0.00 175.52 175.94 4rub h ASP 72 N 0.00 0.43 0.07 5.36 5.19 -1.87 0.32 116.42 125.91 4rub h ASP 72 Ca 0.19 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 4rub h ASP 72 Cb 1.44 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.87 4rub h ASP 72 CO -0.00 0.25 0.00 0.61 -3.12 0.00 0.00 179.24 176.98 4rub n GLY 73 N -1.50 -0.65 0.08 2.75 0.00 -0.56 -2.29 105.19 103.01 4rub n GLY 73 Ca 0.11 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.00 0.99 4.07 -0.56 1.92 115.31 121.73 4rub h LEU 74 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 4rub h LEU 74 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 4rub h LEU 74 CO 0.00 0.92 0.00 1.07 -1.08 0.00 0.00 178.44 179.35 4rub n THR 75 N -3.09 0.00 -3.55 0.22 5.66 -0.97 -4.81 114.28 107.74 4rub n THR 75 Ca -0.12 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.65 4rub n THR 75 Cb 0.99 -0.01 -0.15 0.00 -1.55 0.00 0.00 70.33 69.61 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 0.94 2.14 0.32 1.09 1.04 -1.26 -3.69 113.70 114.27 4rub s SER 76 Ca 0.00 -0.58 0.25 0.00 0.48 0.00 0.00 55.95 56.10 4rub s SER 76 Cb 0.00 -0.00 1.10 0.00 0.10 0.00 0.00 66.02 67.22 4rub s SER 76 CO 0.00 -0.36 1.76 -0.07 0.98 0.00 0.00 173.24 175.55 4rub h LEU 77 N 8.37 0.00 -1.36 2.42 3.38 -1.98 -2.44 115.31 123.69 4rub h LEU 77 Ca -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 4rub h LEU 77 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 4rub h LEU 77 CO 0.31 0.00 0.18 0.44 0.09 0.00 0.00 178.44 179.46 4rub h ASP 78 N 0.00 0.55 0.18 -0.43 3.32 -1.95 0.32 116.42 118.41 4rub h ASP 78 Ca 0.00 -0.05 -0.22 0.00 0.02 0.00 0.00 57.03 56.77 4rub h ASP 78 Cb 0.31 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.73 4rub h ASP 78 CO 0.00 0.50 -0.88 0.03 -1.72 0.00 0.00 179.24 177.17 4rub h ARG 79 N 0.61 0.52 0.00 3.56 3.08 -1.88 -3.39 114.38 116.88 4rub h ARG 79 Ca 0.15 -0.50 -0.36 0.00 0.07 0.00 0.00 59.98 59.34 4rub h ARG 79 Cb 0.11 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 4rub h ARG 79 CO -0.02 1.13 -2.35 0.66 -1.07 0.00 0.00 179.97 178.33 4rub n TYR 80 N -3.82 0.00 -1.49 3.04 4.01 -1.01 -4.85 117.16 113.05 4rub n TYR 80 Ca -0.07 0.00 -0.50 0.00 -0.16 0.00 0.00 57.90 57.17 4rub n TYR 80 Cb 0.80 -0.92 -0.04 0.00 -0.31 0.00 0.00 39.34 38.86 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 0.44 -2.83 -0.72 2.85 0.11 -4.66 118.16 110.25 4rub n LYS 81 Ca -0.40 0.16 -0.33 0.00 -1.05 0.00 0.00 58.31 56.69 4rub n LYS 81 Cb 0.99 -1.43 -0.07 0.00 -0.65 0.00 0.00 35.03 33.87 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 -0.49 2.37 -0.11 2.58 0.00 -1.26 -4.67 107.32 105.73 4rub s GLY 82 Ca 0.71 0.35 -0.08 0.00 0.00 0.00 0.00 44.72 45.70 4rub s GLY 82 CO 0.56 0.62 0.28 1.09 0.00 0.00 0.00 173.10 175.65 4rub s ARG 83 N -3.20 0.29 -0.65 2.90 1.70 0.39 -4.66 118.95 115.72 4rub s ARG 83 Ca 0.61 0.47 -0.26 0.00 -0.47 0.00 0.00 55.73 56.09 4rub s ARG 83 Cb -0.09 0.05 0.04 0.00 -0.57 0.00 0.00 34.95 34.38 4rub s ARG 83 CO 0.14 -0.09 1.13 0.00 -1.08 0.00 0.00 175.30 175.40 4rub n TYR 85 N 8.47 0.74 0.00 0.00 4.11 -0.72 0.05 117.16 129.80 4rub n TYR 85 Ca 0.02 -0.45 0.00 0.00 -0.00 0.00 0.00 57.90 57.47 4rub n TYR 85 Cb 0.48 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.81 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 1.27 0.00 -4.38 -3.48 1.85 -1.25 -4.34 116.66 106.33 4rub n ARG 86 Ca 0.20 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.79 4rub n ARG 86 Cb 0.55 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.86 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 -1.19 2.79 -0.10 8.89 1.01 -1.26 0.10 121.20 131.44 4rub s ILE 87 Ca 0.00 -2.01 -0.10 0.00 0.00 0.00 0.00 60.65 58.54 4rub s ILE 87 Cb 0.00 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 40.09 4rub s ILE 87 CO 0.00 -0.23 0.28 -1.61 0.00 0.00 0.00 174.94 173.38 4rub s GLU 88 N -3.10 0.36 0.27 2.79 2.02 -0.62 -4.95 118.70 115.48 4rub s GLU 88 Ca 0.26 0.33 -0.19 0.00 0.02 0.00 0.00 54.97 55.40 4rub s GLU 88 Cb -0.07 0.17 -0.09 0.00 0.10 0.00 0.00 34.13 34.24 4rub s GLU 88 CO 0.14 -0.05 0.76 1.03 0.02 0.00 0.00 175.26 177.16 4rub s ARG 89 N 0.01 4.21 -0.56 1.61 0.52 -1.26 -1.23 118.95 122.25 4rub s ARG 89 Ca -0.01 0.86 -0.26 0.00 -0.52 0.00 0.00 55.73 55.81 4rub s ARG 89 Cb -0.02 -2.70 0.04 0.00 0.52 0.00 0.00 34.95 32.78 4rub s ARG 89 CO 0.01 0.29 1.03 0.08 0.02 0.00 0.00 175.30 176.72 4rub s VAL 90 N -1.70 4.27 0.14 3.52 1.01 -0.28 -4.86 120.40 122.50 4rub s VAL 90 Ca 0.48 0.51 -0.31 0.00 0.00 0.00 0.00 61.98 62.66 4rub s VAL 90 Cb -0.14 -4.60 -0.11 0.00 0.00 0.00 0.00 36.38 31.53 4rub s VAL 90 CO 0.20 -1.18 1.82 0.55 0.00 0.00 0.00 175.10 176.49 4rub n VAL 91 N 6.37 0.29 -3.03 2.92 3.14 -1.26 -2.34 118.33 124.42 4rub n VAL 91 Ca 0.04 -0.05 -0.03 0.00 -2.96 0.00 0.00 64.34 61.33 4rub n VAL 91 Cb 0.48 -2.11 0.00 0.00 -1.06 0.00 0.00 33.84 31.15 4rub n VAL 91 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 4rub n GLY 92 N 4.19 -1.25 3.64 7.55 0.00 -1.26 -5.03 105.19 113.03 4rub n GLY 92 Ca 0.18 0.71 -0.08 0.00 0.00 0.00 0.00 46.02 46.82 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 -2.94 0.47 -0.32 1.61 2.56 -0.99 -5.13 118.70 113.96 4rub s GLU 93 Ca 0.07 0.57 -0.37 0.00 0.00 0.00 0.00 54.97 55.25 4rub s GLU 93 Cb -0.02 0.22 -0.13 0.00 2.00 0.00 0.00 34.13 36.20 4rub s GLU 93 CO 0.76 -0.06 2.06 1.63 -0.56 0.00 0.00 175.26 179.09 4rub n LYS 94 N 2.29 1.13 -0.79 4.30 4.01 -1.26 -3.83 118.16 124.01 4rub n LYS 94 Ca -0.13 0.35 0.00 0.00 -0.51 0.00 0.00 58.31 58.02 4rub n LYS 94 Cb 0.56 -2.34 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 8.39 0.00 -4.05 4.39 2.03 -1.26 -4.80 116.55 121.25 4rub n ASP 95 Ca 0.37 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.44 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 -0.93 1.64 0.45 -0.67 0.74 -1.25 -4.03 119.66 115.61 4rub s GLN 96 Ca 0.00 -0.45 0.03 0.00 0.05 0.00 0.00 55.36 54.99 4rub s GLN 96 Cb 0.00 -1.38 -0.02 0.00 1.10 0.00 0.00 33.01 32.71 4rub s GLN 96 CO 0.00 0.09 0.10 0.71 -0.55 0.00 0.00 175.29 175.64 4rub s TYR 97 N 0.44 1.79 -0.30 1.67 1.51 0.44 -1.12 117.35 121.77 4rub s TYR 97 Ca -0.10 -1.22 0.03 0.00 -1.01 0.00 0.00 57.07 54.77 4rub s TYR 97 Cb -0.14 -1.29 0.08 0.00 -0.11 0.00 0.00 41.96 40.50 4rub s TYR 97 CO 0.03 -0.16 -0.01 0.42 -1.11 0.00 0.00 175.55 174.71 4rub s ILE 98 N -3.09 2.13 -0.05 2.71 -1.09 -0.36 -0.82 121.20 120.63 4rub s ILE 98 Ca 0.16 -1.97 -0.15 0.00 -2.23 0.00 0.00 60.65 56.47 4rub s ILE 98 Cb 0.01 -2.43 -0.05 0.00 -1.58 0.00 0.00 42.46 38.41 4rub s ILE 98 CO 0.11 -0.36 0.38 0.00 -1.23 0.00 0.00 174.94 173.84 4rub s ALA 99 N 1.04 3.66 -0.18 9.38 0.00 0.10 -1.59 121.76 134.17 4rub s ALA 99 Ca 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 4rub s ALA 99 Cb -0.19 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 4rub s ALA 99 CO -0.07 0.37 -0.05 0.71 0.00 0.00 0.00 175.76 176.71 4rub s TYR 100 N -0.61 2.96 0.07 0.00 1.51 0.11 -0.72 117.35 120.67 4rub s TYR 100 Ca 0.22 -0.57 0.08 0.00 -1.01 0.00 0.00 57.07 55.79 4rub s TYR 100 Cb -0.16 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 4rub s TYR 100 CO 0.11 -0.25 -0.22 0.08 -1.11 0.00 0.00 175.55 174.16 4rub s VAL 101 N 0.79 1.78 -0.09 0.71 1.01 0.14 -1.75 120.40 122.98 4rub s VAL 101 Ca -0.02 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.65 4rub s VAL 101 Cb -0.15 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.67 4rub s VAL 101 CO 0.02 0.15 -0.22 0.00 0.00 0.00 0.00 175.10 175.05 4rub s ALA 102 N -0.91 1.98 -0.19 5.51 0.00 0.31 0.87 121.76 129.33 4rub s ALA 102 Ca 0.08 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.19 4rub s ALA 102 Cb -0.09 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.31 4rub s ALA 102 CO 0.03 0.27 -0.18 0.71 0.00 0.00 0.00 175.76 176.59 4rub s TYR 103 N 0.34 2.75 0.54 0.00 2.02 0.36 -0.46 117.35 122.90 4rub s TYR 103 Ca -0.16 -1.68 -0.22 0.00 -0.37 0.00 0.00 57.07 54.64 4rub s TYR 103 Cb -0.17 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 39.47 4rub s TYR 103 CO 0.07 -0.80 1.35 -1.25 -1.57 0.00 0.00 175.55 173.36 4rub s PRO 104 N 1.30 3.20 0.18 -1.71 0.04 -1.26 -0.38 135.00 136.36 4rub s PRO 104 Ca 0.03 2.22 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 4rub s PRO 104 Cb -0.14 -2.28 0.16 0.00 0.04 0.00 0.00 34.50 32.28 4rub s PRO 104 CO -0.11 -1.14 1.69 1.25 0.04 0.00 0.00 177.00 178.72 4rub h LEU 105 N 1.53 -0.22 -1.11 -3.56 5.85 -1.94 -2.89 115.31 112.97 4rub h LEU 105 Ca -0.51 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.44 4rub h LEU 105 Cb 1.30 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 4rub h LEU 105 CO 0.58 -0.07 0.82 0.44 -0.34 0.00 0.00 178.44 179.86 4rub h ASP 106 N 0.10 0.00 1.28 1.25 5.19 -1.92 -2.18 116.42 120.14 4rub h ASP 106 Ca 0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 4rub h ASP 106 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 4rub h ASP 106 CO -0.39 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 175.91 4rub n LEU 107 N -3.03 0.58 -4.46 1.55 4.77 -1.09 -4.88 117.00 110.43 4rub n LEU 107 Ca 0.08 0.56 -0.33 0.00 -0.03 0.00 0.00 56.01 56.29 4rub n LEU 107 Cb 0.96 -0.39 -0.13 0.00 -2.33 0.00 0.00 43.42 41.53 4rub n LEU 107 CO 0.15 -0.17 -0.45 -0.36 -1.33 0.00 0.00 177.39 175.24 4rub s PHE 108 N -3.09 2.74 0.24 -1.77 0.40 -0.82 -5.00 117.98 110.67 4rub s PHE 108 Ca 0.11 -0.23 -0.30 0.00 -0.60 0.00 0.00 56.93 55.91 4rub s PHE 108 Cb 0.14 -1.67 -0.09 0.00 0.51 0.00 0.00 43.02 41.91 4rub s PHE 108 CO 0.56 0.12 1.13 -2.00 0.70 0.00 0.00 175.22 175.73 4rub s GLU 109 N -0.54 4.59 0.58 0.44 2.12 -1.26 -5.00 118.70 119.63 4rub s GLU 109 Ca 0.07 1.81 -0.18 0.00 0.36 0.00 0.00 54.97 57.04 4rub s GLU 109 Cb -0.12 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 4rub s GLU 109 CO 0.01 0.10 1.12 -1.21 -0.54 0.00 0.00 175.26 174.74 4rub s GLU 110 N -0.93 3.18 0.00 4.30 8.01 -1.26 -3.35 118.70 128.64 4rub s GLU 110 Ca 0.48 1.51 0.00 0.00 0.01 0.00 0.00 54.97 56.97 4rub s GLU 110 Cb -0.32 -1.99 0.00 0.00 -4.31 0.00 0.00 34.13 27.51 4rub s GLU 110 CO 0.39 -0.97 0.00 0.41 0.01 0.00 0.00 175.26 175.10 4rub n GLY 111 N -0.14 0.08 3.06 -1.39 0.00 -1.17 -4.97 105.19 100.67 4rub n GLY 111 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.08 4.97 0.28 1.61 0.15 -1.21 -4.93 113.70 112.49 4rub s SER 112 Ca 0.00 -2.15 -0.03 0.00 0.70 0.00 0.00 55.95 54.47 4rub s SER 112 Cb 0.00 -1.72 0.38 0.00 -1.71 0.00 0.00 66.02 62.97 4rub s SER 112 CO 0.00 -0.44 1.92 0.58 1.20 0.00 0.00 173.24 176.50 4rub h VAL 113 N 6.45 1.23 -0.78 4.45 2.07 -1.93 -1.73 116.25 126.01 4rub h VAL 113 Ca -0.08 -0.51 0.18 0.00 0.82 0.00 0.00 66.70 67.12 4rub h VAL 113 Cb 1.03 0.09 -0.13 0.00 -1.52 0.00 0.00 31.29 30.75 4rub h VAL 113 CO 0.60 0.24 0.04 0.74 0.02 0.00 0.00 177.57 179.21 4rub h THR 114 N 1.12 0.33 0.92 2.57 2.02 -1.92 0.33 112.91 118.29 4rub h THR 114 Ca 0.29 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.39 4rub h THR 114 Cb -0.04 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 66.58 4rub h THR 114 CO -0.05 0.02 -0.44 -1.13 0.37 0.00 0.00 175.52 174.29 4rub h ASN 115 N 0.12 -1.04 -0.80 4.18 -0.73 -1.71 -0.17 115.58 115.43 4rub h ASN 115 Ca 0.44 0.03 0.17 0.00 1.87 0.00 0.00 56.30 58.81 4rub h ASN 115 Cb 0.79 0.27 -0.11 0.00 0.27 0.00 0.00 38.32 39.53 4rub h ASN 115 CO -0.67 -0.70 0.28 -0.03 -0.37 0.00 0.00 177.43 175.95 4rub h MET 116 N -1.31 0.36 -0.26 6.67 4.05 -0.49 -1.43 114.93 122.50 4rub h MET 116 Ca -0.13 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.15 4rub h MET 116 Cb 0.94 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.66 4rub h MET 116 CO 0.21 0.24 -0.32 0.74 0.23 0.00 0.00 176.91 178.00 4rub h PHE 117 N 0.37 0.83 -0.84 1.39 -1.00 -0.89 -2.20 116.94 114.60 4rub h PHE 117 Ca 0.46 -0.26 0.10 0.00 2.81 0.00 0.00 57.97 61.08 4rub h PHE 117 Cb 0.80 -0.17 -0.06 0.00 3.61 0.00 0.00 35.95 40.13 4rub h PHE 117 CO -0.20 1.01 0.54 1.15 -1.61 0.00 0.00 178.31 179.21 4rub h THR 118 N 0.41 0.95 0.00 -1.55 2.02 0.06 -0.79 112.91 114.02 4rub h THR 118 Ca 0.03 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.94 4rub h THR 118 Cb 0.90 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 4rub h THR 118 CO 0.08 0.14 0.00 -1.20 0.37 0.00 0.00 175.52 174.91 4rub n SER 119 N -4.52 0.00 -0.27 4.18 7.64 -0.96 -2.08 113.62 117.62 4rub n SER 119 Ca 0.14 0.48 0.15 0.00 1.01 0.00 0.00 58.87 60.65 4rub n SER 119 Cb 0.32 -0.41 0.42 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.76 0.00 0.44 2.04 -1.45 -3.10 117.51 116.20 4rub h ILE 120 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 4rub h ILE 120 Cb 0.00 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 4rub h ILE 120 CO 0.00 0.11 -0.01 0.52 0.00 0.00 0.00 178.15 178.77 4rub n VAL 121 N -4.57 1.24 0.00 1.67 0.31 -0.31 -4.89 118.33 111.78 4rub n VAL 121 Ca 0.19 -1.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.15 4rub n VAL 121 Cb 0.56 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.76 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 -0.79 -2.67 0.01 2.92 0.00 -0.88 -4.67 105.19 99.11 4rub n GLY 122 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.01 4.29 -0.35 1.61 3.02 -1.26 -4.82 115.26 115.74 4rub n ASN 123 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.69 4rub n ASN 123 Cb 0.00 0.85 0.33 0.00 -0.61 0.00 0.00 39.78 40.35 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 -2.68 116.25 113.30 4rub h VAL 124 Ca -0.04 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 4rub h VAL 124 Cb 0.68 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.73 4rub h VAL 124 CO 0.00 0.13 0.02 0.49 -1.23 0.00 0.00 177.57 176.98 4rub n PHE 125 N -4.81 0.31 -0.45 5.19 3.01 -1.26 -1.74 117.46 117.71 4rub n PHE 125 Ca 0.24 0.16 0.07 0.00 1.01 0.00 0.00 57.45 58.93 4rub n PHE 125 Cb 0.61 -0.74 0.19 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.40 3.19 3.72 1.37 0.00 -1.01 -4.76 105.19 106.29 4rub n GLY 126 Ca -0.01 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 0.18 2.51 -0.19 1.61 3.01 -0.71 -4.89 117.46 118.98 4rub n PHE 127 Ca 0.15 0.47 -0.09 0.00 1.01 0.00 0.00 57.45 59.00 4rub n PHE 127 Cb 0.59 -2.47 0.02 0.00 -0.01 0.00 0.00 39.48 37.60 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 3.14 0.87 0.00 -1.08 1.57 -1.95 -2.82 116.57 116.30 4rub h LYS 128 Ca -0.47 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 4rub h LYS 128 Cb 1.27 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.46 4rub h LYS 128 CO 0.67 0.82 0.13 0.00 -0.57 0.00 0.00 179.45 180.49 4rub h ALA 129 N 1.01 1.11 -2.11 3.86 0.00 -1.98 -3.42 119.26 117.73 4rub h ALA 129 Ca 0.17 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.56 4rub h ALA 129 Cb 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 4rub h ALA 129 CO 0.00 -0.11 -0.55 -0.51 0.00 0.00 0.00 179.25 178.08 4rub s LEU 130 N -5.07 3.52 -0.01 0.00 1.43 -1.07 -2.08 118.68 115.41 4rub s LEU 130 Ca -0.03 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 4rub s LEU 130 Cb 0.08 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 4rub s LEU 130 CO 0.25 -0.10 0.02 -2.11 0.23 0.00 0.00 176.35 174.63 4rub n ARG 131 N -1.11 1.98 -3.67 1.70 1.85 -0.78 -4.78 116.66 111.84 4rub n ARG 131 Ca -0.06 -0.01 -0.14 0.00 -1.00 0.00 0.00 57.85 56.65 4rub n ARG 131 Cb 0.59 -1.03 -0.07 0.00 -1.05 0.00 0.00 32.46 30.90 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 -2.06 -1.07 -0.03 2.89 0.00 -1.10 -5.07 121.76 115.33 4rub s ALA 132 Ca -0.01 0.47 -0.10 0.00 0.00 0.00 0.00 51.96 52.32 4rub s ALA 132 Cb 0.01 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.36 4rub s ALA 132 CO 0.05 -0.39 0.23 -1.17 0.00 0.00 0.00 175.76 174.48 4rub s LEU 133 N -1.69 1.17 -0.16 0.00 2.96 -1.22 -2.53 118.68 117.21 4rub s LEU 133 Ca -0.09 0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 4rub s LEU 133 Cb -0.02 0.93 0.06 0.00 0.50 0.00 0.00 46.19 47.66 4rub s LEU 133 CO 0.01 -0.32 0.39 -0.60 -1.32 0.00 0.00 176.35 174.51 4rub s ARG 134 N -0.95 0.36 -0.15 1.98 3.52 -1.01 -1.20 118.95 121.50 4rub s ARG 134 Ca -0.10 0.76 -0.22 0.00 -0.13 0.00 0.00 55.73 56.04 4rub s ARG 134 Cb -0.05 -0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 4rub s ARG 134 CO 0.02 -0.16 0.66 -1.17 -0.81 0.00 0.00 175.30 173.84 4rub s LEU 135 N 1.45 4.20 -0.20 -0.88 2.96 0.17 -0.41 118.68 125.98 4rub s LEU 135 Ca -0.09 0.96 0.09 0.00 -0.22 0.00 0.00 54.13 54.87 4rub s LEU 135 Cb -0.09 -2.96 -0.22 0.00 0.50 0.00 0.00 46.19 43.42 4rub s LEU 135 CO -0.12 -0.23 0.06 -0.62 -1.32 0.00 0.00 176.35 174.12 4rub n GLU 136 N 4.64 0.68 -3.49 1.98 -0.58 -0.38 -1.41 120.64 122.07 4rub n GLU 136 Ca -0.01 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.73 4rub n GLU 136 Cb 0.50 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.78 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 -6.06 -0.43 -0.02 1.62 2.15 -1.23 -4.47 116.67 108.23 4rub s ASP 137 Ca -0.19 0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.86 4rub s ASP 137 Cb 0.07 0.44 0.02 0.00 -0.30 0.00 0.00 42.92 43.15 4rub s ASP 137 CO 0.74 -0.68 0.00 -0.76 -0.17 0.00 0.00 175.17 174.30 4rub s LEU 138 N -2.36 1.39 -0.46 -1.34 1.43 -1.26 -1.07 118.68 115.01 4rub s LEU 138 Ca 0.03 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.91 4rub s LEU 138 Cb -0.01 -0.14 0.03 0.00 0.03 0.00 0.00 46.19 46.10 4rub s LEU 138 CO -0.08 -0.07 0.67 -0.60 0.23 0.00 0.00 176.35 176.49 4rub s ARG 139 N 0.72 3.26 -0.40 1.70 3.52 0.21 -4.94 118.95 123.02 4rub s ARG 139 Ca -0.07 -0.43 -0.20 0.00 -0.13 0.00 0.00 55.73 54.90 4rub s ARG 139 Cb -0.10 -3.98 0.01 0.00 -1.56 0.00 0.00 34.95 29.33 4rub s ARG 139 CO -0.02 -1.08 0.61 0.42 -0.81 0.00 0.00 175.30 174.42 4rub s ILE 140 N 2.89 4.89 0.60 4.11 -1.09 -1.26 -2.60 121.20 128.74 4rub s ILE 140 Ca 0.22 0.28 -0.18 0.00 -2.23 0.00 0.00 60.65 58.74 4rub s ILE 140 Cb -0.15 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 4rub s ILE 140 CO 0.18 -0.44 1.19 -2.16 -1.23 0.00 0.00 174.94 172.48 4rub s PRO 141 N 2.69 2.97 0.45 2.79 0.04 -1.26 -4.60 135.00 138.08 4rub s PRO 141 Ca 0.22 1.76 0.19 0.00 0.04 0.00 0.00 61.00 63.21 4rub s PRO 141 Cb -0.15 -1.94 1.15 0.00 0.04 0.00 0.00 34.50 33.61 4rub s PRO 141 CO 0.16 -1.19 1.93 -1.35 0.04 0.00 0.00 177.00 176.59 4rub h PRO 142 N 0.82 0.30 0.00 0.56 0.11 -1.83 0.59 132.00 132.55 4rub h PRO 142 Ca -0.50 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 4rub h PRO 142 Cb 1.29 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 4rub h PRO 142 CO 0.55 0.20 -0.06 0.00 -0.21 0.00 0.00 178.00 178.47 4rub h ALA 143 N 1.65 1.12 0.02 -0.75 0.00 -1.91 -1.29 119.26 118.10 4rub h ALA 143 Ca 0.36 -0.06 -0.39 0.00 0.00 0.00 0.00 54.91 54.83 4rub h ALA 143 Cb 0.97 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 4rub h ALA 143 CO -0.09 0.08 -2.42 0.98 0.00 0.00 0.00 179.25 177.80 4rub n TYR 144 N -3.34 0.16 -0.03 0.00 9.36 0.18 -4.43 117.16 119.06 4rub n TYR 144 Ca -0.01 0.03 -0.08 0.00 3.32 0.00 0.00 57.90 61.16 4rub n TYR 144 Cb 0.23 -1.02 -0.02 0.00 -0.63 0.00 0.00 39.34 37.89 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 0.01 0.59 0.00 2.97 2.07 -0.46 -0.70 116.25 120.73 4rub h VAL 145 Ca -0.56 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.96 4rub h VAL 145 Cb 1.92 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 4rub h VAL 145 CO -0.07 0.00 0.13 0.29 0.02 0.00 0.00 177.57 177.94 4rub n LYS 146 N -5.30 0.00 -0.12 1.57 4.76 -0.51 -1.07 118.16 117.49 4rub n LYS 146 Ca -0.02 0.28 0.11 0.00 -2.87 0.00 0.00 58.31 55.82 4rub n LYS 146 Cb 0.22 -1.63 0.28 0.00 -1.84 0.00 0.00 35.03 32.06 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 -1.26 0.31 -4.20 -0.18 -2.24 -0.27 -4.91 114.28 101.54 4rub n THR 147 Ca 0.00 -0.54 -0.22 0.00 -2.27 0.00 0.00 64.05 61.02 4rub n THR 147 Cb 0.13 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.69 2.91 -0.08 4.78 0.40 -0.23 -3.03 117.98 121.04 4rub s PHE 148 Ca 0.35 -0.17 -0.13 0.00 -0.60 0.00 0.00 56.93 56.38 4rub s PHE 148 Cb 0.20 -1.30 -0.29 0.00 0.51 0.00 0.00 43.02 42.15 4rub s PHE 148 CO 0.29 0.57 0.60 0.37 0.70 0.00 0.00 175.22 177.76 4rub h GLN 149 N 1.69 0.32 0.00 0.44 4.15 -1.87 -3.50 115.11 116.33 4rub h GLN 149 Ca -0.46 -0.54 0.00 0.00 0.77 0.00 0.00 58.65 58.42 4rub h GLN 149 Cb 1.24 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.13 4rub h GLN 149 CO 0.61 1.26 0.00 0.41 -1.93 0.00 0.00 178.83 179.17 4rub n GLY 150 N 1.81 -1.09 3.68 2.39 0.00 -1.10 -4.87 105.19 106.01 4rub n GLY 150 Ca -0.25 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 4rub n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 4rub n PRO 151 N -0.00 2.01 -0.24 1.61 -0.02 -1.25 -4.26 135.00 132.85 4rub n PRO 151 Ca 0.00 0.71 0.05 0.00 -2.02 0.00 0.00 63.50 62.23 4rub n PRO 151 Cb 0.00 -2.27 0.16 0.00 -0.02 0.00 0.00 33.50 31.37 4rub n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 4rub h PRO 152 N 2.71 0.21 0.00 0.52 0.11 -1.83 -3.40 132.00 130.33 4rub h PRO 152 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 4rub h PRO 152 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 4rub h PRO 152 CO 0.64 0.14 -0.34 0.72 -0.21 0.00 0.00 178.00 178.96 4rub n HIS 153 N -5.20 0.00 -0.11 0.65 8.25 -1.26 -4.75 115.22 112.80 4rub n HIS 153 Ca 0.13 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.60 4rub n HIS 153 Cb 0.44 0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 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 2.10 -2.71 0.28 -1.41 0.00 -1.26 -4.29 105.19 97.90 4rub n GLY 154 Ca 0.00 -1.39 -0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.08 -0.38 0.00 -0.61 5.41 -0.86 -1.29 119.36 119.56 4rub n ILE 155 Ca -0.01 1.70 -0.13 0.00 1.00 0.00 0.00 62.75 65.31 4rub n ILE 155 Cb 0.05 -2.25 -0.10 0.00 -0.71 0.00 0.00 39.64 36.63 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 -0.03 -0.80 0.38 4.15 -1.88 -1.39 115.11 115.54 4rub h GLN 156 Ca 0.26 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 4rub h GLN 156 Cb 0.44 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 4rub h GLN 156 CO -0.72 0.42 0.49 0.28 -1.93 0.00 0.00 178.83 177.37 4rub h VAL 157 N -0.49 1.22 -0.14 2.39 2.07 -1.58 0.51 116.25 120.23 4rub h VAL 157 Ca -0.00 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.06 4rub h VAL 157 Cb 0.46 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 4rub h VAL 157 CO 0.00 0.23 0.06 -0.08 0.02 0.00 0.00 177.57 177.80 4rub h GLU 158 N 1.10 0.14 -0.06 1.57 4.81 -1.18 0.17 114.58 121.13 4rub h GLU 158 Ca 0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 4rub h GLU 158 Cb -0.06 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 4rub h GLU 158 CO -0.06 0.09 0.04 0.00 -0.73 0.00 0.00 179.01 178.36 4rub h ARG 159 N 0.14 0.08 -0.47 1.92 3.08 -0.65 -2.31 114.38 116.16 4rub h ARG 159 Ca 0.06 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.23 4rub h ARG 159 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 4rub h ARG 159 CO -0.04 0.06 0.34 -0.44 -1.07 0.00 0.00 179.97 178.82 4rub h ASP 160 N 0.08 0.03 0.06 7.04 3.32 0.66 0.75 116.42 128.35 4rub h ASP 160 Ca 0.02 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 4rub h ASP 160 Cb -0.00 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.55 4rub h ASP 160 CO -0.00 0.02 -0.34 0.11 -1.72 0.00 0.00 179.24 177.31 4rub h LYS 161 N 0.03 0.13 -0.00 3.56 1.79 -0.26 -3.30 116.57 118.52 4rub h LYS 161 Ca 0.22 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 4rub h LYS 161 Cb 0.85 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 4rub h LYS 161 CO -0.01 1.10 -0.12 1.28 -1.08 0.00 0.00 179.45 180.62 4rub n LEU 162 N -4.41 0.21 -3.33 2.94 4.77 -0.91 -4.94 117.00 111.33 4rub n LEU 162 Ca -0.12 0.25 -0.20 0.00 -0.03 0.00 0.00 56.01 55.91 4rub n LEU 162 Cb 0.62 -0.34 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 4rub n LEU 162 CO 0.40 0.04 0.20 -3.20 -1.33 0.00 0.00 177.39 173.50 4rub n ASN 163 N -1.33 -4.96 -3.95 -1.43 4.05 0.25 -4.66 115.26 103.22 4rub n ASN 163 Ca 0.10 -0.52 -0.29 0.00 0.45 0.00 0.00 54.58 54.32 4rub n ASN 163 Cb 0.31 -4.72 -0.16 0.00 1.23 0.00 0.00 39.78 36.44 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 -5.95 1.83 0.29 1.20 1.02 -0.62 -5.04 119.74 112.47 4rub s LYS 164 Ca 0.40 -0.51 0.06 0.00 0.02 0.00 0.00 55.97 55.94 4rub s LYS 164 Cb -0.17 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 35.09 4rub s LYS 164 CO 0.67 -0.32 -0.04 0.71 -0.92 0.00 0.00 175.35 175.45 4rub s TYR 165 N 1.57 1.97 -0.38 3.18 2.02 -1.26 -4.72 117.35 119.73 4rub s TYR 165 Ca 0.03 -0.73 -0.21 0.00 -0.37 0.00 0.00 57.07 55.79 4rub s TYR 165 Cb -0.14 -1.15 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 4rub s TYR 165 CO -0.09 0.25 0.49 0.41 -1.57 0.00 0.00 175.55 175.04 4rub n GLY 166 N -0.61 -0.97 0.00 0.71 0.00 -1.26 -5.00 105.19 98.06 4rub n GLY 166 Ca -0.05 1.00 0.00 0.00 0.00 0.00 0.00 46.02 46.97 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 0.04 0.00 -1.71 1.61 1.85 -1.26 -5.07 116.66 112.11 4rub n ARG 167 Ca 0.01 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.46 4rub n ARG 167 Cb 0.50 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.93 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 -1.67 1.86 -2.81 2.89 -0.02 -1.08 -4.75 135.00 129.43 4rub n PRO 168 Ca 0.00 0.67 -0.36 0.00 -2.02 0.00 0.00 63.50 61.79 4rub n PRO 168 Cb 0.00 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 30.96 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 -2.27 4.24 -0.03 2.45 2.01 0.52 -4.91 118.68 120.70 4rub s LEU 169 Ca 0.64 1.77 0.02 0.00 0.01 0.00 0.00 54.13 56.58 4rub s LEU 169 Cb -0.47 -4.11 -0.03 0.00 0.01 0.00 0.00 46.19 41.59 4rub s LEU 169 CO 0.55 -0.13 -0.08 -0.76 1.01 0.00 0.00 176.35 176.94 4rub s LEU 170 N -2.32 3.09 0.19 1.79 1.43 -1.26 -0.35 118.68 121.24 4rub s LEU 170 Ca 0.53 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.44 4rub s LEU 170 Cb -0.16 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 4rub s LEU 170 CO 0.21 0.33 0.28 -0.83 0.23 0.00 0.00 176.35 176.57 4rub s GLY 171 N -1.05 0.75 -0.05 -3.19 0.00 0.10 -0.33 107.32 103.55 4rub s GLY 171 Ca 0.14 -1.11 -0.03 0.00 0.00 0.00 0.00 44.72 43.72 4rub s GLY 171 CO 0.04 -0.95 0.12 0.00 0.00 0.00 0.00 173.10 172.31 4rub s THR 173 N 0.80 4.83 0.52 0.00 2.01 -1.26 -2.21 115.64 120.33 4rub s THR 173 Ca -0.06 1.05 -0.22 0.00 0.31 0.00 0.00 61.69 62.77 4rub s THR 173 Cb -0.08 -4.11 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 4rub s THR 173 CO -0.04 -0.23 1.14 -0.38 -0.69 0.00 0.00 174.62 174.43 4rub n ILE 174 N 5.51 3.27 -4.26 1.82 2.08 -1.12 -4.50 119.36 122.16 4rub n ILE 174 Ca 0.02 -0.50 -0.14 0.00 0.56 0.00 0.00 62.75 62.69 4rub n ILE 174 Cb 0.48 -1.38 -0.10 0.00 -0.75 0.00 0.00 39.64 37.89 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 -2.54 1.11 0.88 0.38 -0.14 -1.26 -4.63 119.74 113.54 4rub s LYS 175 Ca 0.69 -1.51 -0.11 0.00 -1.36 0.00 0.00 55.97 53.69 4rub s LYS 175 Cb -0.46 -0.54 0.13 0.00 -1.68 0.00 0.00 37.83 35.28 4rub s LYS 175 CO 0.52 -0.00 1.16 -1.25 -0.76 0.00 0.00 175.35 175.01 4rub s PRO 176 N -3.81 1.24 0.02 -1.68 0.04 -1.26 -5.05 135.00 124.50 4rub s PRO 176 Ca 0.20 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 4rub s PRO 176 Cb 0.04 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.81 4rub s PRO 176 CO 0.03 -2.47 1.08 0.87 0.04 0.00 0.00 177.00 176.54 4rub h LYS 177 N -1.59 -0.07 -6.14 4.56 1.57 -1.98 -3.44 116.57 109.49 4rub h LYS 177 Ca -0.44 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.77 4rub h LYS 177 Cb 1.27 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.49 4rub h LYS 177 CO 0.43 -0.05 -0.65 -0.51 -0.57 0.00 0.00 179.45 178.11 4rub s LEU 178 N -5.93 3.03 0.00 2.94 2.01 -1.26 -4.79 118.68 114.69 4rub s LEU 178 Ca -0.02 -0.82 0.00 0.00 0.01 0.00 0.00 54.13 53.29 4rub s LEU 178 Cb 0.01 -1.50 0.00 0.00 0.01 0.00 0.00 46.19 44.71 4rub s LEU 178 CO 0.08 -0.09 0.00 0.61 1.01 0.00 0.00 176.35 177.97 4rub n GLY 179 N -0.89 0.36 3.84 -3.19 0.00 -1.26 -5.11 105.19 98.93 4rub n GLY 179 Ca -0.05 0.00 -0.33 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 4.12 0.55 0.99 2.96 -1.26 -5.02 118.68 121.02 4rub s LEU 180 Ca 0.00 1.37 -0.06 0.00 -0.22 0.00 0.00 54.13 55.22 4rub s LEU 180 Cb 0.00 -4.01 -0.01 0.00 0.50 0.00 0.00 46.19 42.67 4rub s LEU 180 CO 0.00 -0.16 0.86 -0.94 -1.32 0.00 0.00 176.35 174.79 4rub s SER 181 N -2.10 5.89 0.14 3.68 1.04 -1.26 -4.52 113.70 116.57 4rub s SER 181 Ca 0.52 0.83 -0.32 0.00 0.48 0.00 0.00 55.95 57.46 4rub s SER 181 Cb -0.12 -1.96 -0.09 0.00 0.10 0.00 0.00 66.02 63.95 4rub s SER 181 CO 0.18 -0.86 1.54 0.00 0.98 0.00 0.00 173.24 175.08 4rub h ALA 182 N -0.02 -0.68 -0.98 5.32 0.00 -1.93 0.80 119.26 121.77 4rub h ALA 182 Ca -0.46 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.56 4rub h ALA 182 Cb 1.23 1.24 -0.06 0.00 0.00 0.00 0.00 17.79 20.20 4rub h ALA 182 CO 0.61 -1.01 0.63 -0.22 0.00 0.00 0.00 179.25 179.26 4rub h LYS 183 N -0.22 1.13 -0.62 0.00 3.64 -1.92 -2.10 116.57 116.47 4rub h LYS 183 Ca 0.11 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 4rub h LYS 183 Cb 0.51 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 4rub h LYS 183 CO -0.74 0.75 0.03 -0.91 -2.27 0.00 0.00 179.45 176.30 4rub h ASN 184 N 1.16 1.05 -0.49 4.20 2.35 -1.64 -0.94 115.58 121.27 4rub h ASN 184 Ca 0.41 -0.29 0.07 0.00 -0.55 0.00 0.00 56.30 55.94 4rub h ASN 184 Cb 0.13 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.17 4rub h ASN 184 CO -0.15 1.08 0.17 0.22 -1.65 0.00 0.00 177.43 177.10 4rub h TYR 185 N 0.98 0.30 -0.18 1.19 5.03 -0.20 0.66 116.97 124.74 4rub h TYR 185 Ca 0.18 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.52 4rub h TYR 185 Cb 0.53 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 4rub h TYR 185 CO 0.04 0.09 0.10 0.78 -1.32 0.00 0.00 178.16 177.85 4rub h GLY 186 N 0.34 0.23 0.40 1.82 0.00 -1.10 0.15 103.07 104.92 4rub h GLY 186 Ca 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 4rub h GLY 186 CO -0.24 0.06 -0.48 -0.09 0.00 0.00 0.00 176.54 175.79 4rub h ARG 187 N 0.20 -0.84 -0.80 4.80 2.43 0.03 -0.53 114.38 119.67 4rub h ARG 187 Ca 0.07 0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.46 4rub h ARG 187 Cb 0.00 0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 29.64 4rub h ARG 187 CO -0.04 -0.56 0.32 0.00 -1.51 0.00 0.00 179.97 178.19 4rub h ALA 188 N -0.61 1.17 0.31 2.80 0.00 0.57 0.14 119.26 123.63 4rub h ALA 188 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 4rub h ALA 188 Cb 0.80 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 4rub h ALA 188 CO -0.15 -0.25 -0.34 0.28 0.00 0.00 0.00 179.25 178.80 4rub h VAL 189 N 0.43 0.30 -0.51 0.00 2.07 0.81 0.15 116.25 119.49 4rub h VAL 189 Ca 0.46 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.05 4rub h VAL 189 Cb 0.75 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 4rub h VAL 189 CO -0.45 0.00 0.17 0.22 0.02 0.00 0.00 177.57 177.53 4rub h TYR 190 N -0.68 0.29 -0.11 1.57 3.20 -0.93 0.38 116.97 120.68 4rub h TYR 190 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 4rub h TYR 190 Cb 0.63 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 4rub h TYR 190 CO -0.21 0.08 0.05 0.93 -1.64 0.00 0.00 178.16 177.36 4rub h GLU 191 N 0.33 0.17 -0.25 1.82 4.39 -0.26 0.71 114.58 121.50 4rub h GLU 191 Ca 0.25 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 4rub h GLU 191 Cb 0.29 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 4rub h GLU 191 CO -0.27 0.27 0.10 0.00 -1.16 0.00 0.00 179.01 177.95 4rub h LEU 193 N 0.25 0.28 -2.18 0.00 4.07 0.05 -2.90 115.31 114.87 4rub h LEU 193 Ca 0.08 -0.05 0.06 0.00 0.08 0.00 0.00 57.88 58.05 4rub h LEU 193 Cb 0.17 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 4rub h LEU 193 CO -0.01 0.25 0.26 0.08 -1.08 0.00 0.00 178.44 177.94 4rub h ARG 194 N 0.29 0.00 -0.19 1.13 0.11 -0.89 -0.44 114.38 114.38 4rub h ARG 194 Ca 0.08 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.10 4rub h ARG 194 Cb 0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 4rub h ARG 194 CO -0.02 0.00 -0.16 0.78 0.10 0.00 0.00 179.97 180.67 4rub h GLY 195 N 0.00 0.35 0.00 0.08 0.00 -1.54 -3.46 103.07 98.49 4rub h GLY 195 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.20 4rub h GLY 195 CO -0.00 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.36 4rub n GLY 196 N -0.71 1.03 3.88 4.60 0.00 -0.18 -3.19 105.19 110.61 4rub n GLY 196 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 3.88 0.02 0.99 1.02 -1.20 -4.75 118.68 118.65 4rub s LEU 197 Ca 0.00 1.09 0.09 0.00 0.02 0.00 0.00 54.13 55.33 4rub s LEU 197 Cb 0.00 -3.95 -0.23 0.00 0.02 0.00 0.00 46.19 42.03 4rub s LEU 197 CO 0.00 -0.35 0.91 0.44 0.02 0.00 0.00 176.35 177.37 4rub h ASP 198 N 1.42 0.03 -5.01 2.29 3.32 -1.00 -3.44 116.42 114.02 4rub h ASP 198 Ca -0.47 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.42 4rub h ASP 198 Cb 1.19 -0.01 -0.19 0.00 0.22 0.00 0.00 39.33 40.54 4rub h ASP 198 CO 0.64 1.04 -0.29 -0.36 -1.72 0.00 0.00 179.24 178.55 4rub s PHE 199 N -2.64 -0.13 0.35 4.55 0.08 -1.04 -2.10 117.98 117.04 4rub s PHE 199 Ca -0.03 0.14 0.06 0.00 0.12 0.00 0.00 56.93 57.22 4rub s PHE 199 Cb 0.09 0.08 -0.07 0.00 -0.57 0.00 0.00 43.02 42.55 4rub s PHE 199 CO 0.82 -0.41 -0.01 0.95 -0.10 0.00 0.00 175.22 176.47 4rub s THR 200 N -1.69 1.74 0.22 0.64 -4.23 -0.89 -1.99 115.64 109.43 4rub s THR 200 Ca -0.11 -2.06 -0.19 0.00 -1.18 0.00 0.00 61.69 58.14 4rub s THR 200 Cb -0.04 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.07 4rub s THR 200 CO 0.02 -0.10 0.59 -1.59 -0.54 0.00 0.00 174.62 173.00 4rub s LYS 201 N -3.75 1.49 0.42 3.99 -2.85 -0.94 -1.31 119.74 116.79 4rub s LYS 201 Ca 0.34 -0.86 -0.22 0.00 -1.00 0.00 0.00 55.97 54.23 4rub s LYS 201 Cb 0.07 0.56 -0.11 0.00 -2.06 0.00 0.00 37.83 36.29 4rub s LYS 201 CO 0.16 -0.65 0.96 -0.51 0.10 0.00 0.00 175.35 175.40 4rub s ASP 202 N -2.88 6.94 0.47 0.03 1.11 -0.82 -2.81 116.67 118.71 4rub s ASP 202 Ca 0.09 1.74 -0.21 0.00 0.18 0.00 0.00 52.55 54.36 4rub s ASP 202 Cb -0.02 -2.55 -0.09 0.00 1.07 0.00 0.00 42.92 41.33 4rub s ASP 202 CO -0.01 -0.36 1.03 -0.62 1.18 0.00 0.00 175.17 176.40 4rub s ASP 203 N -2.06 6.44 0.50 0.27 -1.08 -1.26 -4.86 116.67 114.61 4rub s ASP 203 Ca 0.61 1.93 0.18 0.00 -0.52 0.00 0.00 52.55 54.75 4rub s ASP 203 Cb -0.11 -2.56 0.99 0.00 -1.46 0.00 0.00 42.92 39.77 4rub s ASP 203 CO 0.16 -0.71 1.50 1.05 0.52 0.00 0.00 175.17 177.68 4rub h GLU 204 N 1.72 0.00 -0.29 4.34 9.09 -1.96 0.32 114.58 127.80 4rub h GLU 204 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 4rub h GLU 204 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 4rub h GLU 204 CO 0.60 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.93 4rub n ASN 205 N -2.43 3.13 -4.48 3.06 6.94 -1.26 -4.83 115.26 115.39 4rub n ASN 205 Ca -0.01 -2.33 -0.43 0.00 -0.02 0.00 0.00 54.58 51.78 4rub n ASN 205 Cb 0.43 -0.31 -0.06 0.00 -2.36 0.00 0.00 39.78 37.47 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 -1.60 4.84 0.00 3.53 1.01 0.11 -4.84 120.40 123.45 4rub s VAL 206 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.04 4rub s VAL 206 Cb 0.18 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.30 4rub s VAL 206 CO 0.12 -0.72 0.00 0.59 0.00 0.00 0.00 175.10 175.09 4rub n ASN 207 N 6.25 0.00 -3.31 3.32 5.03 -1.26 -4.70 115.26 120.60 4rub n ASN 207 Ca -0.04 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.35 4rub n ASN 207 Cb 0.47 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.16 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 1.00 -0.13 0.21 6.41 0.15 -1.26 -3.85 113.70 116.23 4rub s SER 208 Ca 0.00 0.37 0.03 0.00 0.70 0.00 0.00 55.95 57.05 4rub s SER 208 Cb 0.00 1.35 -0.05 0.00 -1.71 0.00 0.00 66.02 65.61 4rub s SER 208 CO 0.00 -0.29 0.01 -1.10 1.20 0.00 0.00 173.24 173.06 4rub s GLN 209 N 2.62 1.25 0.36 5.44 1.11 -0.24 -4.90 119.66 125.30 4rub s GLN 209 Ca 0.15 -1.63 0.11 0.00 0.01 0.00 0.00 55.36 54.00 4rub s GLN 209 Cb -0.15 -0.45 0.89 0.00 -1.01 0.00 0.00 33.01 32.29 4rub s GLN 209 CO -0.17 -0.13 1.83 -1.35 0.01 0.00 0.00 175.29 175.48 4rub h PRO 210 N 2.55 0.60 -0.36 2.91 0.11 -2.02 -1.89 132.00 133.90 4rub h PRO 210 Ca -0.38 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.57 4rub h PRO 210 Cb 1.22 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 4rub h PRO 210 CO 0.63 0.39 -0.30 0.27 -0.21 0.00 0.00 178.00 178.79 4rub h PHE 211 N 0.61 0.91 -2.60 0.65 -0.00 -1.97 -3.44 116.94 111.11 4rub h PHE 211 Ca 0.51 -0.24 -0.12 0.00 -0.00 0.00 0.00 57.97 58.12 4rub h PHE 211 Cb 0.97 -0.21 -0.28 0.00 -0.00 0.00 0.00 35.95 36.43 4rub h PHE 211 CO -0.00 0.99 -0.38 1.41 -0.00 0.00 0.00 178.31 180.32 4rub s MET 212 N -4.48 0.31 -0.03 6.09 -2.45 -0.71 -4.51 119.30 113.51 4rub s MET 212 Ca -0.09 0.94 -0.15 0.00 -1.25 0.00 0.00 55.69 55.13 4rub s MET 212 Cb 0.12 0.20 -0.05 0.00 1.25 0.00 0.00 34.83 36.35 4rub s MET 212 CO 0.85 -0.24 0.40 1.03 1.05 0.00 0.00 175.02 178.11 4rub s ARG 213 N 2.32 3.98 0.28 4.11 0.52 -1.23 -1.08 118.95 127.84 4rub s ARG 213 Ca -0.03 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 4rub s ARG 213 Cb -0.11 -3.26 0.64 0.00 0.52 0.00 0.00 34.95 32.74 4rub s ARG 213 CO -0.12 0.60 1.66 0.11 0.02 0.00 0.00 175.30 177.57 4rub h TRP 214 N 5.09 0.34 -0.14 -0.53 5.08 -1.89 0.77 115.95 124.67 4rub h TRP 214 Ca -0.50 0.05 -0.07 0.00 1.08 0.00 0.00 58.89 59.45 4rub h TRP 214 Cb 1.21 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 27.34 4rub h TRP 214 CO 0.69 -0.16 -0.23 -0.09 -1.28 0.00 0.00 178.44 177.37 4rub h ARG 215 N 0.24 0.25 0.11 0.12 2.43 -1.94 -0.04 114.38 115.55 4rub h ARG 215 Ca 0.51 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.60 4rub h ARG 215 Cb 0.99 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 4rub h ARG 215 CO -0.61 0.47 -0.05 -0.44 -1.51 0.00 0.00 179.97 177.83 4rub h ASP 216 N 0.22 -0.13 -0.63 -3.80 3.32 -1.36 -2.49 116.42 111.55 4rub h ASP 216 Ca 0.04 -0.42 0.08 0.00 0.02 0.00 0.00 57.03 56.75 4rub h ASP 216 Cb 0.54 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.06 4rub h ASP 216 CO 0.04 0.41 0.28 -0.09 -1.72 0.00 0.00 179.24 178.16 4rub h ARG 217 N -0.73 0.49 -0.88 3.56 2.43 -0.75 -1.76 114.38 116.74 4rub h ARG 217 Ca -0.02 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 4rub h ARG 217 Cb 0.54 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 4rub h ARG 217 CO 0.03 0.32 0.59 0.74 -1.51 0.00 0.00 179.97 180.13 4rub h PHE 218 N 0.50 1.11 -0.33 2.20 -1.00 -1.02 0.51 116.94 118.91 4rub h PHE 218 Ca 0.31 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 61.04 4rub h PHE 218 Cb 0.33 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 4rub h PHE 218 CO -0.13 0.69 -0.08 1.25 -1.61 0.00 0.00 178.31 178.43 4rub h LEU 219 N 1.19 0.64 0.03 1.54 6.46 -0.94 -2.69 115.31 121.55 4rub h LEU 219 Ca 0.33 -0.36 -0.20 0.00 -0.12 0.00 0.00 57.88 57.52 4rub h LEU 219 Cb -0.13 -0.18 0.02 0.00 -0.73 0.00 0.00 40.66 39.65 4rub h LEU 219 CO -0.07 0.85 -0.81 -0.26 -0.62 0.00 0.00 178.44 177.53 4rub h PHE 220 N 0.42 0.75 0.00 1.25 0.04 -0.99 -2.44 116.94 115.97 4rub h PHE 220 Ca 0.08 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.42 4rub h PHE 220 Cb 0.57 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.64 4rub h PHE 220 CO 0.05 1.27 0.00 0.00 -0.60 0.00 0.00 178.31 179.03 4rub h ALA 222 N 2.02 0.17 -0.16 0.00 0.00 -1.20 -0.41 119.26 119.67 4rub h ALA 222 Ca 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 54.91 54.41 4rub h ALA 222 Cb 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 4rub h ALA 222 CO 0.00 0.43 -0.18 1.49 0.00 0.00 0.00 179.25 180.98 4rub h GLU 223 N 0.12 -0.21 0.32 0.00 4.81 -0.73 -0.33 114.58 118.57 4rub h GLU 223 Ca -0.05 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 4rub h GLU 223 Cb 1.26 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.69 4rub h GLU 223 CO 0.12 -0.14 -0.15 0.00 -0.73 0.00 0.00 179.01 178.11 4rub h ALA 224 N 0.84 -0.43 -0.18 2.92 0.00 -1.32 -1.39 119.26 119.70 4rub h ALA 224 Ca 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 4rub h ALA 224 Cb 0.38 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 4rub h ALA 224 CO -0.29 -0.67 -0.02 1.37 0.00 0.00 0.00 179.25 179.64 4rub h LEU 225 N -0.57 0.24 -0.91 0.00 8.10 -0.93 -0.13 115.31 121.11 4rub h LEU 225 Ca -0.04 -0.03 -0.08 0.00 0.11 0.00 0.00 57.88 57.83 4rub h LEU 225 Cb 0.42 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 40.56 4rub h LEU 225 CO 0.07 0.31 -0.05 1.88 -4.11 0.00 0.00 178.44 176.55 4rub h TYR 226 N 0.26 0.80 0.46 0.17 0.05 -0.74 -0.76 116.97 117.21 4rub h TYR 226 Ca 0.06 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 4rub h TYR 226 Cb 0.22 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.75 4rub h TYR 226 CO 0.00 0.78 -0.22 -0.22 -1.05 0.00 0.00 178.16 177.45 4rub h LYS 227 N 0.69 -0.59 -0.13 4.88 3.64 -0.03 -2.32 116.57 122.72 4rub h LYS 227 Ca 0.13 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 4rub h LYS 227 Cb 0.50 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 4rub h LYS 227 CO 0.03 -0.31 0.12 0.00 -2.27 0.00 0.00 179.45 177.02 4rub h ALA 228 N -0.37 1.83 0.09 5.00 0.00 -1.01 -2.18 119.26 122.62 4rub h ALA 228 Ca -0.06 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.55 4rub h ALA 228 Cb 0.56 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 4rub h ALA 228 CO 0.10 -0.19 -1.47 0.37 0.00 0.00 0.00 179.25 178.06 4rub h GLN 229 N 0.00 0.19 -0.44 0.00 4.15 -0.90 -2.66 115.11 115.45 4rub h GLN 229 Ca 0.06 -0.32 -0.04 0.00 0.77 0.00 0.00 58.65 59.11 4rub h GLN 229 Cb 0.30 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 4rub h GLN 229 CO -0.00 1.04 0.11 0.00 -1.93 0.00 0.00 178.83 178.05 4rub h ALA 230 N 0.61 0.58 0.78 3.38 0.00 -1.02 0.38 119.26 123.97 4rub h ALA 230 Ca -0.21 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 4rub h ALA 230 Cb 1.98 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.61 4rub h ALA 230 CO 0.15 0.25 -0.38 1.49 0.00 0.00 0.00 179.25 180.76 4rub h GLU 231 N 0.57 -1.01 -0.00 0.00 4.81 -1.49 -3.22 114.58 114.24 4rub h GLU 231 Ca 0.14 0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.26 4rub h GLU 231 Cb 0.31 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 4rub h GLU 231 CO 0.00 -0.68 -0.80 1.79 -0.73 0.00 0.00 179.01 178.59 4rub h THR 232 N -1.05 1.53 0.00 0.32 1.35 -1.51 -3.48 112.91 110.08 4rub h THR 232 Ca -0.11 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 4rub h THR 232 Cb 0.81 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 4rub h THR 232 CO 0.17 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 4rub n GLY 233 N 0.74 0.51 2.88 5.82 0.00 0.13 -5.05 105.19 110.21 4rub n GLY 233 Ca -0.02 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.39 0.71 0.17 1.61 2.02 -1.22 -5.08 118.70 114.53 4rub s GLU 234 Ca 0.00 -0.07 -0.33 0.00 0.02 0.00 0.00 54.97 54.58 4rub s GLU 234 Cb 0.00 -0.75 -0.15 0.00 0.10 0.00 0.00 34.13 33.33 4rub s GLU 234 CO 0.00 -0.08 1.39 -0.89 0.02 0.00 0.00 175.26 175.70 4rub n ILE 235 N 4.02 0.49 -4.62 -1.63 5.41 -1.26 -4.59 119.36 117.16 4rub n ILE 235 Ca -0.26 -0.12 -0.28 0.00 1.00 0.00 0.00 62.75 63.09 4rub n ILE 235 Cb 0.51 -1.23 -0.11 0.00 -0.71 0.00 0.00 39.64 38.10 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 0.14 1.97 -0.02 0.38 -0.14 -1.26 -4.93 119.74 115.88 4rub s LYS 236 Ca 0.75 -2.13 -0.29 0.00 -1.36 0.00 0.00 55.97 52.94 4rub s LYS 236 Cb -0.76 -1.58 0.08 0.00 -1.68 0.00 0.00 37.83 33.89 4rub s LYS 236 CO 0.46 -0.09 0.71 0.20 -0.76 0.00 0.00 175.35 175.87 4rub s GLY 237 N -3.71 -0.55 -0.18 -3.33 0.00 -0.89 -4.84 107.32 93.82 4rub s GLY 237 Ca 0.32 1.21 -0.00 0.00 0.00 0.00 0.00 44.72 46.25 4rub s GLY 237 CO 0.16 0.77 -0.05 -1.58 0.00 0.00 0.00 173.10 172.41 4rub s HIS 238 N -1.81 1.77 -0.21 1.90 2.46 -1.26 -2.10 115.29 116.04 4rub s HIS 238 Ca -0.07 -1.18 -0.30 0.00 0.47 0.00 0.00 55.06 53.99 4rub s HIS 238 Cb -0.00 -1.34 -0.07 0.00 -0.13 0.00 0.00 32.58 31.04 4rub s HIS 238 CO 0.03 -0.64 2.19 0.66 -2.47 0.00 0.00 174.74 174.51 4rub n TYR 239 N 4.85 1.97 -3.30 3.88 4.01 -0.43 -4.66 117.16 123.48 4rub n TYR 239 Ca -0.12 -0.09 -0.41 0.00 -0.16 0.00 0.00 57.90 57.12 4rub n TYR 239 Cb 0.47 -2.70 -0.08 0.00 -0.31 0.00 0.00 39.34 36.71 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 7.70 4.41 -0.26 7.72 1.43 -1.22 -1.95 118.68 136.51 4rub s LEU 240 Ca 1.01 -0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 53.68 4rub s LEU 240 Cb -0.43 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 4rub s LEU 240 CO 0.38 -0.44 1.88 0.21 0.23 0.00 0.00 176.35 178.61 4rub s ASN 241 N 1.76 5.90 0.00 2.29 3.04 -1.26 -1.49 114.94 125.18 4rub s ASN 241 Ca 0.16 1.59 0.24 0.00 0.04 0.00 0.00 52.86 54.89 4rub s ASN 241 Cb -0.16 -2.52 0.40 0.00 -1.54 0.00 0.00 41.25 37.43 4rub s ASN 241 CO 0.13 -1.65 1.38 0.00 -3.04 0.00 0.00 177.10 173.92 4rub n ALA 242 N 10.14 2.47 -1.70 1.71 0.00 -0.79 -4.87 120.51 127.47 4rub n ALA 242 Ca 0.24 -0.73 -0.44 0.00 0.00 0.00 0.00 53.44 52.51 4rub n ALA 242 Cb 0.46 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 4rub n ALA 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 4rub n THR 243 N 1.18 0.19 -4.03 0.00 -1.04 -1.26 -4.45 114.28 104.86 4rub n THR 243 Ca 0.16 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.05 62.05 4rub n THR 243 Cb 0.55 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.28 4rub n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 4rub n ALA 244 N 3.37 0.19 0.09 2.41 0.00 -1.26 -4.85 120.51 120.46 4rub n ALA 244 Ca 0.15 -0.80 0.11 0.00 0.00 0.00 0.00 53.44 52.90 4rub n ALA 244 Cb 0.32 0.65 -0.03 0.00 0.00 0.00 0.00 19.45 20.39 4rub n ALA 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4rub n GLY 245 N -0.27 -1.40 3.06 0.00 0.00 -1.26 -4.91 105.19 100.42 4rub n GLY 245 Ca 0.03 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 4rub n GLY 245 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 4rub s THR 246 N -3.38 0.46 0.12 2.61 -4.23 -1.26 -5.07 115.64 104.89 4rub s THR 246 Ca -0.02 -1.19 -0.19 0.00 -1.18 0.00 0.00 61.69 59.12 4rub s THR 246 Cb 0.10 -0.72 -0.05 0.00 1.34 0.00 0.00 72.50 73.17 4rub s THR 246 CO 0.81 -0.50 1.74 0.00 -0.54 0.00 0.00 174.62 176.13 4rub h GLU 248 N 0.32 0.40 -0.08 0.00 3.07 -1.98 0.19 114.58 116.50 4rub h GLU 248 Ca 0.09 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 4rub h GLU 248 Cb 0.04 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 4rub h GLU 248 CO -0.02 0.26 -0.05 0.93 -1.40 0.00 0.00 179.01 178.74 4rub h GLU 249 N 0.41 0.18 -0.37 2.33 4.39 -1.83 -1.95 114.58 117.75 4rub h GLU 249 Ca 0.51 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 60.20 4rub h GLU 249 Cb 0.90 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.48 4rub h GLU 249 CO -0.50 0.56 -0.07 1.98 -1.16 0.00 0.00 179.01 179.82 4rub h MET 250 N -0.20 0.02 -0.48 2.33 4.05 -0.06 -2.23 114.93 118.36 4rub h MET 250 Ca 0.02 -0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.31 4rub h MET 250 Cb 0.51 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 4rub h MET 250 CO 0.01 0.01 -0.18 0.82 0.23 0.00 0.00 176.91 177.81 4rub h ILE 251 N 0.02 1.27 -0.93 1.77 1.08 -0.67 -2.77 117.51 117.28 4rub h ILE 251 Ca 0.18 -1.33 0.22 0.00 -0.39 0.00 0.00 64.86 63.54 4rub h ILE 251 Cb 0.27 1.12 -0.07 0.00 -3.07 0.00 0.00 36.82 35.06 4rub h ILE 251 CO -0.36 0.46 0.62 0.50 -0.69 0.00 0.00 178.15 178.67 4rub h LYS 252 N 0.82 0.38 0.05 2.37 3.64 -0.75 0.34 116.57 123.42 4rub h LYS 252 Ca 0.11 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 4rub h LYS 252 Cb 0.75 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 4rub h LYS 252 CO 0.06 0.25 -0.40 0.00 -2.27 0.00 0.00 179.45 177.10 4rub h ARG 253 N 0.40 0.18 -0.70 1.90 3.08 -1.42 -3.09 114.38 114.72 4rub h ARG 253 Ca 0.49 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 60.30 4rub h ARG 253 Cb 1.26 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.36 4rub h ARG 253 CO -0.19 1.06 0.45 0.00 -1.07 0.00 0.00 179.97 180.22 4rub h ALA 254 N 0.13 0.91 -0.79 0.04 0.00 -0.93 -0.60 119.26 118.02 4rub h ALA 254 Ca -0.06 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.91 4rub h ALA 254 Cb 1.24 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 4rub h ALA 254 CO 0.08 0.25 0.52 0.28 0.00 0.00 0.00 179.25 180.38 4rub h VAL 255 N 0.90 0.94 -0.26 0.00 2.07 -0.38 -0.76 116.25 118.75 4rub h VAL 255 Ca 0.27 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 4rub h VAL 255 Cb -0.03 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 4rub h VAL 255 CO -0.09 0.13 -0.20 0.15 0.02 0.00 0.00 177.57 177.58 4rub h PHE 256 N 0.71 0.69 0.11 1.57 3.57 -1.06 -1.59 116.94 120.95 4rub h PHE 256 Ca 0.37 -0.19 0.02 0.00 3.53 0.00 0.00 57.97 61.70 4rub h PHE 256 Cb 0.48 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 4rub h PHE 256 CO -0.00 0.88 -0.37 0.00 -2.23 0.00 0.00 178.31 176.59 4rub h ALA 257 N 0.70 -0.64 -0.92 2.41 0.00 -0.76 0.33 119.26 120.37 4rub h ALA 257 Ca 0.05 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.14 4rub h ALA 257 Cb 0.74 0.62 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 4rub h ALA 257 CO 0.05 -0.92 0.41 -0.09 0.00 0.00 0.00 179.25 178.70 4rub h ARG 258 N -0.60 0.36 -0.73 0.00 1.12 -0.99 0.42 114.38 113.95 4rub h ARG 258 Ca 0.03 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 4rub h ARG 258 Cb 0.63 -0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.47 4rub h ARG 258 CO -0.22 0.24 0.44 1.49 -3.11 0.00 0.00 179.97 178.81 4rub h GLU 259 N 0.37 0.99 0.00 0.20 4.81 0.55 -2.54 114.58 118.96 4rub h GLU 259 Ca 0.60 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 4rub h GLU 259 Cb 1.19 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.36 4rub h GLU 259 CO -0.56 0.69 0.00 1.28 -0.73 0.00 0.00 179.01 179.69 4rub n LEU 260 N -4.39 0.75 0.00 1.64 4.77 0.14 -4.91 117.00 115.01 4rub n LEU 260 Ca 0.08 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 4rub n LEU 260 Cb 0.07 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 4rub n LEU 260 CO 0.37 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 4rub n GLY 261 N 0.85 1.42 3.66 -0.72 0.00 -0.96 -5.02 105.19 104.43 4rub n GLY 261 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 2.90 0.34 1.61 0.24 -1.24 -4.98 118.33 115.19 4rub n VAL 262 Ca 0.00 -0.33 0.11 0.00 -2.04 0.00 0.00 64.34 62.08 4rub n VAL 262 Cb 0.00 -1.20 0.02 0.00 -1.47 0.00 0.00 33.84 31.19 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 -2.38 0.44 -3.74 7.34 -0.04 -1.26 -4.75 135.00 130.61 4rub n PRO 263 Ca 0.14 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.50 4rub n PRO 263 Cb 0.50 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 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 -3.29 0.04 0.41 0.52 2.07 -1.26 -1.01 121.20 118.68 4rub s ILE 264 Ca 0.01 -0.33 0.04 0.00 -1.41 0.00 0.00 60.65 58.96 4rub s ILE 264 Cb 0.12 -0.63 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 4rub s ILE 264 CO 0.79 -0.18 0.06 0.68 -1.91 0.00 0.00 174.94 174.38 4rub s VAL 265 N -0.98 1.13 0.07 4.00 -7.23 -0.53 -3.43 120.40 113.43 4rub s VAL 265 Ca -0.10 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 4rub s VAL 265 Cb -0.04 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 4rub s VAL 265 CO 0.04 0.00 0.09 -0.32 -0.31 0.00 0.00 175.10 174.60 4rub s MET 266 N -3.80 0.73 -0.24 4.82 1.75 -0.56 -0.63 119.30 121.36 4rub s MET 266 Ca 0.25 -1.05 -0.16 0.00 -1.25 0.00 0.00 55.69 53.48 4rub s MET 266 Cb 0.05 0.28 0.07 0.00 2.84 0.00 0.00 34.83 38.07 4rub s MET 266 CO 0.13 -0.19 0.61 -1.58 -0.65 0.00 0.00 175.02 173.33 4rub s HIS 267 N -3.81 -0.84 -0.92 4.11 5.04 0.01 -1.88 115.29 117.01 4rub s HIS 267 Ca 0.05 1.80 -0.22 0.00 -1.54 0.00 0.00 55.06 55.15 4rub s HIS 267 Cb 0.06 0.43 0.07 0.00 0.04 0.00 0.00 32.58 33.18 4rub s HIS 267 CO -0.10 -0.42 1.29 -0.51 -2.34 0.00 0.00 174.74 172.65 4rub s ASP 268 N 1.17 6.45 0.49 9.88 1.01 -1.26 -2.04 116.67 132.37 4rub s ASP 268 Ca -0.07 -1.41 0.17 0.00 0.71 0.00 0.00 52.55 51.95 4rub s ASP 268 Cb -0.06 -2.51 1.20 0.00 1.01 0.00 0.00 42.92 42.57 4rub s ASP 268 CO -0.12 -1.43 2.06 0.10 0.21 0.00 0.00 175.17 175.99 4rub h TYR 269 N 9.55 0.16 0.05 4.23 -0.00 -1.88 0.29 116.97 129.37 4rub h TYR 269 Ca 0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 58.73 58.52 4rub h TYR 269 Cb 1.03 -0.05 -0.03 0.00 -0.00 0.00 0.00 36.73 37.68 4rub h TYR 269 CO 1.19 0.08 -1.48 -0.07 -0.00 0.00 0.00 178.16 177.89 4rub h LEU 270 N 0.16 0.17 0.00 0.10 3.38 -1.79 -1.52 115.31 115.81 4rub h LEU 270 Ca 0.15 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 4rub h LEU 270 Cb 0.38 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 4rub h LEU 270 CO -0.02 1.21 -0.69 0.71 0.09 0.00 0.00 178.44 179.74 4rub h THR 271 N 0.03 0.53 0.01 0.22 1.35 -1.69 -3.32 112.91 110.04 4rub h THR 271 Ca -0.21 -1.82 -0.00 0.00 -0.55 0.00 0.00 66.41 63.83 4rub h THR 271 Cb 1.96 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 70.53 4rub h THR 271 CO 0.12 0.30 -0.01 1.23 -0.25 0.00 0.00 175.52 176.92 4rub h GLY 272 N 3.69 -0.02 0.00 5.82 0.00 -0.54 -3.51 103.07 108.52 4rub h GLY 272 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.30 4rub h GLY 272 CO 0.04 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.19 4rub n GLY 273 N 1.47 2.69 0.21 4.60 0.00 -0.57 -4.58 105.19 109.01 4rub n GLY 273 Ca -0.08 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 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 0.68 -0.21 1.61 0.04 -1.89 0.23 116.94 117.40 4rub h PHE 274 Ca 0.00 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.75 4rub h PHE 274 Cb 0.00 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 4rub h PHE 274 CO 0.00 0.58 0.04 1.15 -0.60 0.00 0.00 178.31 179.47 4rub h THR 275 N 0.59 0.90 -0.38 -1.55 2.02 -1.93 -1.11 112.91 111.44 4rub h THR 275 Ca 0.15 -0.04 -0.13 0.00 0.77 0.00 0.00 66.41 67.17 4rub h THR 275 Cb 0.18 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 4rub h THR 275 CO -0.01 0.02 -0.27 0.00 0.37 0.00 0.00 175.52 175.63 4rub h ALA 276 N 1.15 0.81 0.41 6.16 0.00 -1.74 -3.10 119.26 122.95 4rub h ALA 276 Ca 0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 4rub h ALA 276 Cb 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.74 4rub h ALA 276 CO -0.13 0.64 -0.19 -0.97 0.00 0.00 0.00 179.25 178.60 4rub h ASN 277 N 0.68 -0.46 -1.03 0.00 -1.24 0.04 -2.29 115.58 111.27 4rub h ASN 277 Ca 0.08 -0.00 0.28 0.00 0.71 0.00 0.00 56.30 57.38 4rub h ASN 277 Cb 0.80 0.12 -0.12 0.00 0.73 0.00 0.00 38.32 39.84 4rub h ASN 277 CO 0.07 -0.30 0.62 0.74 -1.29 0.00 0.00 177.43 177.26 4rub h THR 278 N -0.58 0.44 -0.21 -3.57 2.02 -1.24 0.68 112.91 110.46 4rub h THR 278 Ca -0.06 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 4rub h THR 278 Cb 0.44 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 4rub h THR 278 CO 0.09 0.08 -0.09 0.28 0.37 0.00 0.00 175.52 176.25 4rub h SER 279 N 0.43 0.44 -0.06 4.18 0.02 -1.40 -1.88 113.55 115.29 4rub h SER 279 Ca 0.67 -0.40 -0.12 0.00 -0.84 0.00 0.00 61.79 61.10 4rub h SER 279 Cb 1.51 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 4rub h SER 279 CO -0.47 0.74 -0.36 0.25 -1.14 0.00 0.00 176.83 175.85 4rub h LEU 280 N 0.13 0.58 -0.68 5.07 5.85 0.62 0.13 115.31 127.01 4rub h LEU 280 Ca 0.05 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 4rub h LEU 280 Cb 0.57 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 4rub h LEU 280 CO 0.03 0.89 0.23 0.00 -0.34 0.00 0.00 178.44 179.25 4rub h ALA 281 N 1.14 0.89 -0.24 1.25 0.00 0.14 0.44 119.26 122.89 4rub h ALA 281 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 4rub h ALA 281 Cb 0.84 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 4rub h ALA 281 CO 0.07 0.56 0.12 0.45 0.00 0.00 0.00 179.25 180.45 4rub h HIS 282 N 0.99 0.35 -0.64 0.00 3.86 -0.74 -1.65 115.15 117.32 4rub h HIS 282 Ca 0.22 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.46 4rub h HIS 282 Cb 0.28 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 4rub h HIS 282 CO 0.02 0.33 0.42 -0.92 0.86 0.00 0.00 177.93 178.64 4rub h TYR 283 N 0.26 0.69 -0.18 2.45 5.03 -0.44 -2.30 116.97 122.48 4rub h TYR 283 Ca 0.08 0.02 -0.18 0.00 2.58 0.00 0.00 58.73 61.23 4rub h TYR 283 Cb 0.11 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.16 4rub h TYR 283 CO -0.03 0.39 -0.63 0.00 -1.32 0.00 0.00 178.16 176.57 4rub h ARG 285 N 0.48 -0.25 0.00 0.00 9.65 -0.86 0.38 114.38 123.77 4rub h ARG 285 Ca -0.01 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 4rub h ARG 285 Cb 1.22 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 4rub h ARG 285 CO 0.12 -0.17 0.00 -0.44 2.80 0.00 0.00 179.97 182.29 4rub h ASP 286 N -0.26 0.00 -0.03 -3.80 3.32 -1.40 -3.12 116.42 111.14 4rub h ASP 286 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 4rub h ASP 286 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 4rub h ASP 286 CO -0.03 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.08 4rub n ASN 287 N -2.68 1.77 -1.95 6.45 3.02 -0.87 -5.05 115.26 115.96 4rub n ASN 287 Ca 0.03 -1.39 -0.15 0.00 -0.03 0.00 0.00 54.58 53.03 4rub n ASN 287 Cb 0.34 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.46 -0.18 3.92 7.41 0.00 0.13 -5.02 105.19 111.91 4rub n GLY 288 Ca 0.05 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.51 4.13 0.03 0.99 1.43 -0.92 -4.99 118.68 114.84 4rub s LEU 289 Ca 0.12 0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.69 4rub s LEU 289 Cb -0.05 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 4rub s LEU 289 CO 0.15 -0.14 0.25 -0.76 0.23 0.00 0.00 176.35 176.08 4rub s LEU 290 N -3.59 4.35 -0.06 1.79 1.43 -0.18 -4.59 118.68 117.83 4rub s LEU 290 Ca 0.40 0.45 0.05 0.00 -1.03 0.00 0.00 54.13 54.01 4rub s LEU 290 Cb -0.11 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 4rub s LEU 290 CO 0.31 0.22 -0.23 -0.22 0.23 0.00 0.00 176.35 176.65 4rub s LEU 291 N -2.06 2.04 -0.22 1.79 2.96 -1.26 -1.46 118.68 120.47 4rub s LEU 291 Ca 0.30 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 4rub s LEU 291 Cb -0.13 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 4rub s LEU 291 CO 0.20 0.21 0.08 -2.28 -1.32 0.00 0.00 176.35 173.24 4rub s HIS 292 N -0.01 3.16 -0.08 5.38 5.65 0.19 -0.94 115.29 128.64 4rub s HIS 292 Ca -0.07 -0.16 -0.12 0.00 0.25 0.00 0.00 55.06 54.96 4rub s HIS 292 Cb -0.14 -2.19 -0.05 0.00 -1.18 0.00 0.00 32.58 29.02 4rub s HIS 292 CO 0.05 -0.13 0.29 0.42 -0.65 0.00 0.00 174.74 174.72 4rub s ILE 293 N 1.12 5.26 -0.10 0.89 -1.09 0.08 -0.81 121.20 126.55 4rub s ILE 293 Ca 0.05 0.56 0.01 0.00 -2.23 0.00 0.00 60.65 59.04 4rub s ILE 293 Cb -0.14 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 4rub s ILE 293 CO 0.03 0.54 -0.13 -2.28 -1.23 0.00 0.00 174.94 171.87 4rub s HIS 294 N -0.63 2.79 -0.52 3.97 2.46 -0.86 -3.80 115.29 118.69 4rub s HIS 294 Ca 0.19 -0.46 0.01 0.00 0.47 0.00 0.00 55.06 55.27 4rub s HIS 294 Cb -0.14 -1.78 0.49 0.00 -0.13 0.00 0.00 32.58 31.02 4rub s HIS 294 CO 0.08 -0.06 1.95 2.89 -2.47 0.00 0.00 174.74 177.12 4rub n ARG 295 N 3.10 2.35 -1.32 2.88 1.85 -1.26 -2.79 116.66 121.47 4rub n ARG 295 Ca -0.18 -2.86 -0.40 0.00 -1.00 0.00 0.00 57.85 53.41 4rub n ARG 295 Cb 0.53 -2.12 0.01 0.00 -1.05 0.00 0.00 32.46 29.82 4rub n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 4rub n ALA 296 N -0.81 -2.56 0.00 2.89 0.00 -1.26 -1.30 120.51 117.46 4rub n ALA 296 Ca 0.56 0.04 0.00 0.00 0.00 0.00 0.00 53.44 54.04 4rub n ALA 296 Cb 1.04 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.10 0.00 -0.15 0.00 0.00 -1.26 -4.32 117.12 112.49 4rub n MET 297 Ca 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 57.70 57.74 4rub n MET 297 Cb 0.44 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 32.26 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 -0.81 0.00 1.12 -0.00 -1.62 0.19 115.15 114.04 4rub h HIS 298 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 4rub h HIS 298 Cb 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 4rub h HIS 298 CO 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 177.93 177.57 4rub n ALA 299 N -3.04 1.10 0.16 6.11 0.00 -1.26 0.94 120.51 124.51 4rub n ALA 299 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.50 4rub n ALA 299 Cb 0.34 -1.07 0.31 0.00 0.00 0.00 0.00 19.45 19.02 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 1.30 0.00 0.00 2.07 -1.02 -3.20 116.25 115.41 4rub h VAL 300 Ca 0.00 -1.44 -0.38 0.00 0.82 0.00 0.00 66.70 65.71 4rub h VAL 300 Cb 0.04 1.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 4rub h VAL 300 CO 0.00 0.41 -2.41 -0.38 0.02 0.00 0.00 177.57 175.21 4rub n ILE 301 N -4.04 1.44 -0.64 4.57 5.41 0.27 -4.72 119.36 121.65 4rub n ILE 301 Ca -0.02 -0.73 0.09 0.00 1.00 0.00 0.00 62.75 63.09 4rub n ILE 301 Cb 0.45 -0.91 0.34 0.00 -0.71 0.00 0.00 39.64 38.80 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 -2.99 4.59 -0.03 4.38 5.68 -0.03 -1.91 116.55 126.24 4rub n ASP 302 Ca -0.39 -2.49 -0.01 0.00 -0.50 0.00 0.00 54.79 51.40 4rub n ASP 302 Cb 1.08 -0.55 -0.00 0.00 -1.14 0.00 0.00 41.12 40.51 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 3.70 0.00 -6.32 0.11 2.43 -1.81 -3.43 114.38 109.06 4rub h ARG 303 Ca 0.00 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.53 4rub h ARG 303 Cb 1.42 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 31.01 4rub h ARG 303 CO 0.23 0.00 0.88 1.04 -1.51 0.00 0.00 179.97 180.60 4rub n GLN 304 N -3.17 1.84 0.00 0.20 1.13 -1.26 -3.79 117.38 112.34 4rub n GLN 304 Ca -0.02 0.67 0.07 0.00 -1.94 0.00 0.00 57.00 55.79 4rub n GLN 304 Cb 0.07 -2.44 0.35 0.00 0.11 0.00 0.00 30.24 28.33 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 4.82 0.13 -0.00 -1.09 4.81 -1.26 -3.40 118.16 122.17 4rub n LYS 305 Ca 0.21 0.18 0.06 0.00 -0.87 0.00 0.00 58.31 57.89 4rub n LYS 305 Cb 0.25 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.71 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 -1.37 1.97 -3.79 3.14 6.94 -1.26 -5.00 115.26 115.89 4rub n ASN 306 Ca 0.06 -0.13 -0.13 0.00 -0.02 0.00 0.00 54.58 54.36 4rub n ASN 306 Cb 0.14 1.45 -0.12 0.00 -2.36 0.00 0.00 39.78 38.89 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 -2.70 -0.23 -0.28 -2.53 5.04 -1.22 -3.41 115.29 109.95 4rub s HIS 307 Ca -0.03 0.57 0.00 0.00 -1.54 0.00 0.00 55.06 54.07 4rub s HIS 307 Cb 0.08 0.06 0.00 0.00 0.04 0.00 0.00 32.58 32.76 4rub s HIS 307 CO 0.49 -0.13 0.00 0.41 -2.34 0.00 0.00 174.74 173.17 4rub n GLY 308 N 3.26 0.46 3.14 1.59 0.00 -0.34 -4.47 105.19 108.83 4rub n GLY 308 Ca -0.16 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.19 1.72 0.43 -0.61 1.01 -0.80 0.45 121.20 123.21 4rub s ILE 309 Ca 0.00 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.60 4rub s ILE 309 Cb 0.00 -1.52 -0.08 0.00 0.01 0.00 0.00 42.46 40.87 4rub s ILE 309 CO 0.00 0.49 1.10 -2.28 0.00 0.00 0.00 174.94 174.24 4rub s HIS 310 N 0.50 3.07 0.34 3.97 5.65 -0.50 -3.50 115.29 124.82 4rub s HIS 310 Ca -0.16 1.59 0.01 0.00 0.25 0.00 0.00 55.06 56.75 4rub s HIS 310 Cb -0.17 -3.23 0.58 0.00 -1.18 0.00 0.00 32.58 28.59 4rub s HIS 310 CO 0.06 -1.02 1.97 0.35 -0.65 0.00 0.00 174.74 175.46 4rub h PHE 311 N 2.20 0.81 -0.69 3.88 3.57 -1.92 -1.60 116.94 123.20 4rub h PHE 311 Ca -0.49 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.14 4rub h PHE 311 Cb 1.23 -0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.61 4rub h PHE 311 CO 0.56 0.55 0.23 0.07 -2.23 0.00 0.00 178.31 177.48 4rub h ARG 312 N 0.85 0.36 -0.14 1.11 0.11 -1.92 1.60 114.38 116.35 4rub h ARG 312 Ca 0.22 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.28 4rub h ARG 312 Cb -0.02 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 30.97 4rub h ARG 312 CO -0.04 0.24 0.08 0.28 0.10 0.00 0.00 179.97 180.63 4rub h VAL 313 N 0.37 1.09 -0.89 0.08 2.07 -1.52 0.11 116.25 117.57 4rub h VAL 313 Ca 0.37 -0.24 0.16 0.00 0.82 0.00 0.00 66.70 67.82 4rub h VAL 313 Cb 0.56 0.98 -0.10 0.00 -1.52 0.00 0.00 31.29 31.22 4rub h VAL 313 CO -0.40 0.08 0.47 -0.07 0.02 0.00 0.00 177.57 177.67 4rub h LEU 314 N 0.14 0.57 -0.13 2.57 4.07 -0.46 -0.58 115.31 121.50 4rub h LEU 314 Ca 0.05 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 4rub h LEU 314 Cb 0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 4rub h LEU 314 CO -0.01 0.22 0.03 0.00 -1.08 0.00 0.00 178.44 177.60 4rub h ALA 315 N 1.59 0.17 0.05 1.53 0.00 0.31 -2.79 119.26 120.12 4rub h ALA 315 Ca 0.49 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.28 4rub h ALA 315 Cb 0.73 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 4rub h ALA 315 CO -0.38 -0.18 -0.46 0.87 0.00 0.00 0.00 179.25 179.10 4rub h LYS 316 N 0.01 -0.62 -1.05 0.00 1.57 0.11 -1.35 116.57 115.24 4rub h LYS 316 Ca 0.04 0.04 0.42 0.00 -1.87 0.00 0.00 60.65 59.28 4rub h LYS 316 Cb 0.27 0.14 -0.17 0.00 0.08 0.00 0.00 32.23 32.55 4rub h LYS 316 CO 0.00 -0.42 0.59 0.00 -0.57 0.00 0.00 179.45 179.06 4rub n ALA 317 N -2.90 1.07 0.02 3.86 0.00 -0.33 -0.23 120.51 122.00 4rub n ALA 317 Ca -0.07 0.96 -0.18 0.00 0.00 0.00 0.00 53.44 54.15 4rub n ALA 317 Cb 0.39 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 4rub n ALA 317 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 4rub h LEU 318 N 0.00 0.43 -2.59 0.00 6.46 -1.01 -0.37 115.31 118.23 4rub h LEU 318 Ca 0.83 -0.87 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 4rub h LEU 318 Cb 2.31 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 42.10 4rub h LEU 318 CO -0.69 1.26 0.10 -0.09 -0.62 0.00 0.00 178.44 178.40 4rub h ARG 319 N -0.33 0.00 0.00 1.25 9.65 0.21 0.15 114.38 125.31 4rub h ARG 319 Ca -0.10 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 4rub h ARG 319 Cb 1.41 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.99 4rub h ARG 319 CO 0.12 0.00 -0.13 0.52 2.80 0.00 0.00 179.97 183.28 4rub h MET 320 N 0.00 0.00 -0.58 0.20 2.86 -0.98 -3.34 114.93 113.09 4rub h MET 320 Ca 0.02 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 4rub h MET 320 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 4rub h MET 320 CO -0.00 0.20 0.19 1.03 1.06 0.00 0.00 176.91 179.39 4rub h SER 321 N -1.00 0.83 0.00 1.22 0.87 -0.42 -2.90 113.55 112.14 4rub h SER 321 Ca -0.01 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 4rub h SER 321 Cb 0.29 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 4rub h SER 321 CO -0.01 0.80 0.00 0.61 -0.53 0.00 0.00 176.83 177.70 4rub n GLY 322 N -0.74 3.82 0.00 5.77 0.00 0.46 -4.49 105.19 110.02 4rub n GLY 322 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.37 4rub n GLY 322 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4rub n GLY 323 N 0.00 1.81 0.12 -0.02 0.00 -1.26 -4.77 105.19 101.07 4rub n GLY 323 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 4rub n GLY 323 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 4rub h ASP 324 N 0.00 0.39 -3.94 1.61 3.32 -1.42 -3.39 116.42 112.99 4rub h ASP 324 Ca 0.00 -0.88 -0.65 0.00 0.02 0.00 0.00 57.03 55.52 4rub h ASP 324 Cb 0.00 -0.13 -0.22 0.00 0.22 0.00 0.00 39.33 39.21 4rub h ASP 324 CO 0.00 1.51 -0.85 -1.00 -1.72 0.00 0.00 179.24 177.18 4rub s HIS 325 N -2.45 2.15 -0.04 4.55 3.76 -1.18 -1.62 115.29 120.47 4rub s HIS 325 Ca -0.18 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.27 4rub s HIS 325 Cb 0.03 -1.16 0.01 0.00 1.11 0.00 0.00 32.58 32.57 4rub s HIS 325 CO 0.78 0.31 0.17 -1.50 -0.85 0.00 0.00 174.74 173.65 4rub s ILE 326 N -1.14 0.04 -0.11 0.60 2.07 -0.85 -0.74 121.20 121.07 4rub s ILE 326 Ca 0.12 -0.32 -0.29 0.00 -1.41 0.00 0.00 60.65 58.76 4rub s ILE 326 Cb -0.10 -0.35 -0.01 0.00 0.13 0.00 0.00 42.46 42.13 4rub s ILE 326 CO 0.06 -0.17 0.97 -1.00 -1.91 0.00 0.00 174.94 172.88 4rub s HIS 327 N -0.60 3.51 -0.70 3.50 3.76 -1.25 0.81 115.29 124.32 4rub s HIS 327 Ca -0.07 1.53 0.10 0.00 -0.15 0.00 0.00 55.06 56.47 4rub s HIS 327 Cb -0.04 -3.14 -0.06 0.00 1.11 0.00 0.00 32.58 30.45 4rub s HIS 327 CO 0.01 -0.20 0.53 -1.13 -0.85 0.00 0.00 174.74 173.09 4rub n SER 328 N 4.94 0.83 0.00 1.40 3.41 0.36 -4.75 113.62 119.82 4rub n SER 328 Ca 0.08 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 4rub n SER 328 Cb 0.49 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 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 1.82 0.00 5.00 0.00 -1.19 -4.96 105.19 106.95 4rub n GLY 329 Ca 0.03 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 1.38 0.00 0.00 2.61 -2.24 -1.26 -4.30 114.28 110.47 4rub n THR 330 Ca 0.00 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 4rub n THR 330 Cb 0.00 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.94 0.00 1.39 2.28 0.31 -1.26 -4.34 118.33 115.77 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 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -2.73 2.52 0.31 -1.26 -4.71 118.33 112.48 4rub n VAL 332 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 4rub n VAL 332 Cb 0.00 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 0.21 6.06 0.32 2.92 0.00 -1.26 -4.63 105.19 108.81 4rub n GLY 333 Ca 0.00 -1.62 0.19 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.32 -3.44 116.57 109.14 4rub h LYS 334 Ca 0.00 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.03 4rub h LYS 334 Cb 0.00 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.18 4rub h LYS 334 CO 0.00 0.00 -0.76 -0.51 -2.00 0.00 0.00 179.45 176.18 4rub s LEU 335 N -6.89 2.66 0.65 7.07 1.43 -1.26 -5.02 118.68 117.32 4rub s LEU 335 Ca -0.05 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 52.01 4rub s LEU 335 Cb 0.14 -1.27 -0.06 0.00 0.03 0.00 0.00 46.19 45.03 4rub s LEU 335 CO 0.48 0.07 0.56 1.21 0.23 0.00 0.00 176.35 178.90 4rub n GLU 336 N -0.27 0.44 0.00 1.70 2.13 -1.26 -4.73 120.64 118.65 4rub n GLU 336 Ca -0.08 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.92 4rub n GLU 336 Cb 0.58 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.49 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 1.68 2.34 3.86 8.31 0.00 -1.26 -4.85 105.19 115.27 4rub n GLY 337 Ca 0.11 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.56 3.71 0.22 1.61 2.56 -1.26 -4.01 118.70 120.98 4rub s GLU 338 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 54.97 54.94 4rub s GLU 338 Cb 0.00 -3.17 0.22 0.00 2.00 0.00 0.00 34.13 33.18 4rub s GLU 338 CO 0.00 0.70 1.56 -0.09 -0.56 0.00 0.00 175.26 176.87 4rub h ARG 339 N 4.58 -0.03 -0.09 4.30 2.43 -1.97 0.30 114.38 123.90 4rub h ARG 339 Ca -0.52 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 4rub h ARG 339 Cb 1.22 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 4rub h ARG 339 CO 0.62 -0.02 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.60 4rub h ASP 340 N -0.03 0.16 0.22 -3.80 3.32 -1.97 0.44 116.42 114.75 4rub h ASP 340 Ca 0.32 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 57.04 4rub h ASP 340 Cb 0.59 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 4rub h ASP 340 CO -0.93 0.46 -0.23 0.40 -1.72 0.00 0.00 179.24 177.22 4rub h ILE 341 N -0.15 0.50 -0.53 0.35 1.08 -1.73 -0.48 117.51 116.54 4rub h ILE 341 Ca 0.02 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.59 4rub h ILE 341 Cb 0.39 0.50 -0.08 0.00 -3.07 0.00 0.00 36.82 34.55 4rub h ILE 341 CO 0.01 0.00 0.07 0.74 -0.69 0.00 0.00 178.15 178.28 4rub h THR 342 N -0.49 0.65 -0.93 -0.27 2.02 -0.33 0.12 112.91 113.68 4rub h THR 342 Ca 0.00 -0.07 0.13 0.00 0.77 0.00 0.00 66.41 67.25 4rub h THR 342 Cb 0.46 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 67.23 4rub h THR 342 CO -0.06 0.04 0.59 -0.07 0.37 0.00 0.00 175.52 176.38 4rub h LEU 343 N 0.19 0.76 0.65 2.58 3.38 -0.23 0.85 115.31 123.49 4rub h LEU 343 Ca 0.27 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 4rub h LEU 343 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 4rub h LEU 343 CO -0.39 0.40 -0.46 1.23 0.09 0.00 0.00 178.44 179.31 4rub h GLY 344 N 0.81 -1.26 2.00 0.83 0.00 0.81 -2.44 103.07 103.82 4rub h GLY 344 Ca 0.46 0.54 -0.01 0.00 0.00 0.00 0.00 47.33 48.32 4rub h GLY 344 CO -0.23 -0.41 -0.05 0.27 0.00 0.00 0.00 176.54 176.13 4rub h PHE 345 N -1.06 0.00 0.00 5.60 -5.15 -0.65 -1.74 116.94 113.94 4rub h PHE 345 Ca -0.09 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.61 4rub h PHE 345 Cb 0.87 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.03 4rub h PHE 345 CO -0.14 0.05 -0.37 0.28 -2.00 0.00 0.00 178.31 176.13 4rub h VAL 346 N 0.00 1.03 0.01 0.88 2.07 -0.61 -0.14 116.25 119.49 4rub h VAL 346 Ca -0.00 -1.39 -0.19 0.00 0.82 0.00 0.00 66.70 65.94 4rub h VAL 346 Cb 0.57 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 4rub h VAL 346 CO 0.01 0.36 -0.88 0.44 0.02 0.00 0.00 177.57 177.52 4rub h ASP 347 N 0.00 0.11 -0.19 0.57 3.32 -0.85 -0.94 116.42 118.44 4rub h ASP 347 Ca -0.00 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 4rub h ASP 347 Cb 0.77 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 4rub h ASP 347 CO 0.05 0.93 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.35 4rub h LEU 348 N 0.04 0.51 -0.02 1.55 3.38 -0.80 0.37 115.31 120.35 4rub h LEU 348 Ca -0.03 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.63 4rub h LEU 348 Cb 1.54 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.17 4rub h LEU 348 CO 0.12 0.64 -0.73 -0.07 0.09 0.00 0.00 178.44 178.49 4rub h LEU 349 N 0.50 0.67 0.00 1.67 4.07 -0.77 -3.40 115.31 118.05 4rub h LEU 349 Ca 0.10 -0.74 -0.29 0.00 0.08 0.00 0.00 57.88 57.03 4rub h LEU 349 Cb 0.45 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 4rub h LEU 349 CO 0.02 1.32 -2.27 0.54 -1.08 0.00 0.00 178.44 176.97 4rub n ARG 350 N -4.10 0.76 -1.90 1.13 1.74 -0.38 -1.79 116.66 112.12 4rub n ARG 350 Ca -0.10 -0.05 -0.29 0.00 -0.77 0.00 0.00 57.85 56.64 4rub n ARG 350 Cb 0.73 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.76 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 -5.22 4.48 -0.01 0.55 1.01 0.13 -4.49 116.67 113.12 4rub s ASP 351 Ca -0.09 0.77 -0.02 0.00 0.71 0.00 0.00 52.55 53.92 4rub s ASP 351 Cb 0.07 -1.26 -0.27 0.00 1.01 0.00 0.00 42.92 42.47 4rub s ASP 351 CO 0.82 -1.92 0.80 -0.78 0.21 0.00 0.00 175.17 174.30 4rub h ASP 352 N -1.07 0.35 -3.50 0.27 3.58 -1.92 -3.45 116.42 110.69 4rub h ASP 352 Ca -0.46 -0.52 -0.21 0.00 0.42 0.00 0.00 57.03 56.26 4rub h ASP 352 Cb 1.33 -0.11 -0.30 0.00 1.72 0.00 0.00 39.33 41.97 4rub h ASP 352 CO 0.66 1.44 -0.54 0.12 -2.88 0.00 0.00 179.24 178.04 4rub s PHE 353 N -2.61 -0.22 -0.08 0.28 2.19 -1.26 -0.52 117.98 115.75 4rub s PHE 353 Ca -0.10 0.58 -0.01 0.00 0.33 0.00 0.00 56.93 57.73 4rub s PHE 353 Cb 0.07 -0.00 0.03 0.00 -1.31 0.00 0.00 43.02 41.80 4rub s PHE 353 CO 0.84 -0.17 -0.03 0.08 1.83 0.00 0.00 175.22 177.78 4rub s VAL 354 N 0.93 0.57 0.29 3.12 1.01 -0.53 -5.01 120.40 120.77 4rub s VAL 354 Ca -0.07 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 4rub s VAL 354 Cb -0.09 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.53 4rub s VAL 354 CO -0.05 0.28 1.09 -0.70 0.00 0.00 0.00 175.10 175.72 4rub s GLU 355 N 1.73 4.61 0.15 2.72 2.56 -1.26 0.33 118.70 129.54 4rub s GLU 355 Ca 0.02 1.77 -0.34 0.00 0.00 0.00 0.00 54.97 56.42 4rub s GLU 355 Cb -0.13 -3.14 -0.15 0.00 2.00 0.00 0.00 34.13 32.71 4rub s GLU 355 CO -0.05 0.20 1.43 0.94 -0.56 0.00 0.00 175.26 177.22 4rub n GLN 356 N 1.11 1.70 -3.14 4.30 7.27 -1.26 -4.83 117.38 122.53 4rub n GLN 356 Ca -0.01 0.61 -0.12 0.00 0.07 0.00 0.00 57.00 57.56 4rub n GLN 356 Cb 0.45 -2.29 -0.04 0.00 2.41 0.00 0.00 30.24 30.77 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 0.56 -0.12 0.62 1.69 2.15 0.43 -4.96 116.67 117.05 4rub s ASP 357 Ca 0.78 -1.84 0.24 0.00 0.43 0.00 0.00 52.55 52.16 4rub s ASP 357 Cb -0.78 1.03 1.12 0.00 -0.30 0.00 0.00 42.92 44.00 4rub s ASP 357 CO 0.44 -0.15 1.60 0.03 -0.17 0.00 0.00 175.17 176.92 4rub h ARG 358 N 6.02 0.00 0.49 4.34 3.08 -1.91 0.19 114.38 126.59 4rub h ARG 358 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 4rub h ARG 358 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 4rub h ARG 358 CO 0.15 0.00 -0.30 0.66 -1.07 0.00 0.00 179.97 179.41 4rub h SER 359 N 0.00 -0.77 0.00 7.04 4.64 -1.94 -1.85 113.55 120.68 4rub h SER 359 Ca 0.21 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 4rub h SER 359 Cb 1.68 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 4rub h SER 359 CO -0.00 -0.46 0.00 0.54 -0.87 0.00 0.00 176.83 176.04 4rub n ARG 360 N -4.24 0.87 -0.96 4.77 1.74 0.65 -4.85 116.66 114.64 4rub n ARG 360 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 4rub n ARG 360 Cb 0.31 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 0.18 0.34 3.45 -0.13 0.00 -0.70 -4.52 105.19 103.81 4rub n GLY 361 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.79 4.38 -0.87 -0.61 1.01 -1.11 -4.92 121.20 117.29 4rub s ILE 362 Ca 0.00 -0.46 0.23 0.00 0.00 0.00 0.00 60.65 60.41 4rub s ILE 362 Cb 0.00 -4.67 0.21 0.00 0.01 0.00 0.00 42.46 38.01 4rub s ILE 362 CO 0.00 -1.43 1.71 -1.22 0.00 0.00 0.00 174.94 173.99 4rub n TYR 363 N 7.55 0.29 -3.85 3.97 4.02 -1.26 -0.43 117.16 127.45 4rub n TYR 363 Ca -0.03 0.10 -0.12 0.00 -0.01 0.00 0.00 57.90 57.84 4rub n TYR 363 Cb 0.45 -0.66 -0.10 0.00 -0.02 0.00 0.00 39.34 39.01 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 -3.07 -0.02 0.07 -0.72 0.08 -1.26 -4.93 117.98 108.13 4rub s PHE 364 Ca 0.09 0.01 -0.31 0.00 0.12 0.00 0.00 56.93 56.85 4rub s PHE 364 Cb 0.13 -0.01 -0.06 0.00 -0.57 0.00 0.00 43.02 42.51 4rub s PHE 364 CO 0.42 -0.27 1.19 0.99 -0.10 0.00 0.00 175.22 177.45 4rub s THR 365 N -1.16 4.02 -0.21 0.64 2.01 -1.26 -4.24 115.64 115.43 4rub s THR 365 Ca -0.12 1.47 -0.04 0.00 0.31 0.00 0.00 61.69 63.30 4rub s THR 365 Cb -0.06 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 4rub s THR 365 CO 0.02 0.13 -0.03 -1.58 -0.69 0.00 0.00 174.62 172.47 4rub s GLN 366 N 0.94 3.45 -0.24 4.92 2.00 0.15 -4.88 119.66 126.00 4rub s GLN 366 Ca 0.58 -0.59 -0.06 0.00 -2.00 0.00 0.00 55.36 53.29 4rub s GLN 366 Cb -0.29 -3.04 -0.01 0.00 0.80 0.00 0.00 33.01 30.47 4rub s GLN 366 CO 0.30 -0.13 0.02 0.34 -0.50 0.00 0.00 175.29 175.32 4rub s ASP 367 N 1.34 4.77 -0.06 6.67 2.15 -1.26 -1.46 116.67 128.82 4rub s ASP 367 Ca 0.04 -0.37 0.09 0.00 0.43 0.00 0.00 52.55 52.74 4rub s ASP 367 Cb -0.14 -1.84 0.38 0.00 -0.30 0.00 0.00 42.92 41.02 4rub s ASP 367 CO -0.01 -0.05 1.21 0.79 -0.17 0.00 0.00 175.17 176.93 4rub n TRP 368 N 4.86 0.78 -2.75 -5.34 7.02 0.32 -4.51 117.44 117.81 4rub n TRP 368 Ca -0.17 -0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.00 4rub n TRP 368 Cb 0.51 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 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 0.47 0.00 -2.75 -0.99 0.24 -1.26 0.72 118.33 114.76 4rub n VAL 369 Ca 0.13 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.24 4rub n VAL 369 Cb 0.52 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.90 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 0.63 -5.07 -4.77 -1.34 7.64 -1.26 -4.95 113.62 104.49 4rub n SER 370 Ca 0.00 -0.10 -0.38 0.00 1.01 0.00 0.00 58.87 59.40 4rub n SER 370 Cb 0.00 -4.19 -0.06 0.00 -1.01 0.00 0.00 64.21 58.95 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 -6.19 4.41 0.78 -3.43 2.96 0.22 -4.96 118.68 112.47 4rub s LEU 371 Ca 0.15 1.96 -0.15 0.00 -0.22 0.00 0.00 54.13 55.88 4rub s LEU 371 Cb -0.07 -3.89 0.02 0.00 0.50 0.00 0.00 46.19 42.74 4rub s LEU 371 CO 0.19 -0.10 0.84 -2.65 -1.32 0.00 0.00 176.35 173.31 4rub n PRO 372 N 0.76 0.22 -3.78 0.98 -0.02 -1.26 -4.94 135.00 126.96 4rub n PRO 372 Ca 0.01 0.13 -0.20 0.00 -2.02 0.00 0.00 63.50 61.42 4rub n PRO 372 Cb 0.48 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.81 1.50 -0.09 -1.23 0.00 -1.26 -4.75 107.32 99.69 4rub s GLY 373 Ca 0.69 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.97 4rub s GLY 373 CO 0.55 -1.40 -0.09 0.14 0.00 0.00 0.00 173.10 172.30 4rub s VAL 374 N -2.15 3.53 -0.31 1.40 1.01 -0.74 -2.02 120.40 121.12 4rub s VAL 374 Ca 0.39 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 4rub s VAL 374 Cb -0.08 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.85 4rub s VAL 374 CO 0.29 0.57 1.26 -0.22 0.00 0.00 0.00 175.10 176.99 4rub s LEU 375 N -0.42 3.87 0.42 3.92 2.96 -0.64 -4.07 118.68 124.72 4rub s LEU 375 Ca 0.06 1.15 -0.23 0.00 -0.22 0.00 0.00 54.13 54.88 4rub s LEU 375 Cb -0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 4rub s LEU 375 CO 0.02 -1.06 1.07 -2.16 -1.32 0.00 0.00 176.35 172.90 4rub s PRO 376 N 4.11 4.05 -0.12 0.98 0.04 -1.26 -2.02 135.00 140.79 4rub s PRO 376 Ca 0.54 1.56 0.03 0.00 0.04 0.00 0.00 61.00 63.17 4rub s PRO 376 Cb -0.16 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 31.92 4rub s PRO 376 CO 0.22 -0.25 -0.21 0.08 0.04 0.00 0.00 177.00 176.88 4rub s VAL 377 N -1.66 1.93 -0.36 -0.36 1.01 0.24 -1.59 120.40 119.61 4rub s VAL 377 Ca 0.60 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 4rub s VAL 377 Cb -0.23 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 4rub s VAL 377 CO 0.28 0.53 0.32 0.00 0.00 0.00 0.00 175.10 176.23 4rub s ALA 378 N 0.71 3.49 0.00 5.51 0.00 -0.20 -0.48 121.76 130.79 4rub s ALA 378 Ca -0.10 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 50.36 4rub s ALA 378 Cb -0.16 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.18 4rub s ALA 378 CO 0.01 -1.14 0.29 0.45 0.00 0.00 0.00 175.76 175.38 4rub s SER 379 N 1.73 -0.15 0.00 0.00 0.15 -1.26 -0.14 113.70 114.02 4rub s SER 379 Ca 0.09 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.72 4rub s SER 379 Cb -0.17 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 4rub s SER 379 CO 0.11 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.67 4rub n GLY 380 N 1.08 0.61 3.40 9.45 0.00 -1.26 -4.60 105.19 113.88 4rub n GLY 380 Ca -0.21 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 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 1.70 -0.39 3.22 -0.02 0.00 -1.26 -1.77 105.19 106.66 4rub n GLY 381 Ca 0.00 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.36 1.34 0.24 -0.61 -4.36 -1.26 -3.24 121.20 109.94 4rub s ILE 382 Ca 0.02 -1.46 -0.07 0.00 -0.26 0.00 0.00 60.65 58.88 4rub s ILE 382 Cb -0.00 -1.31 -0.02 0.00 1.25 0.00 0.00 42.46 42.38 4rub s ILE 382 CO 0.72 -0.22 0.34 -1.38 0.24 0.00 0.00 174.94 174.65 4rub s HIS 383 N -1.42 0.73 0.14 1.37 -3.43 -1.26 -4.33 115.29 107.09 4rub s HIS 383 Ca 0.03 -1.02 -0.05 0.00 -0.80 0.00 0.00 55.06 53.22 4rub s HIS 383 Cb -0.09 -0.12 0.23 0.00 -1.43 0.00 0.00 32.58 31.17 4rub s HIS 383 CO 0.03 -0.87 0.82 1.55 -2.00 0.00 0.00 174.74 174.27 4rub n VAL 384 N -0.36 -0.23 0.75 -5.38 3.14 -1.26 0.27 118.33 115.27 4rub n VAL 384 Ca 0.00 1.20 0.02 0.00 -2.96 0.00 0.00 64.34 62.61 4rub n VAL 384 Cb 0.63 -1.65 0.15 0.00 -1.06 0.00 0.00 33.84 31.91 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 -4.84 0.00 0.24 1.45 7.02 -1.26 -1.73 117.44 118.32 4rub n TRP 385 Ca 0.08 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.59 4rub n TRP 385 Cb 0.26 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.12 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 -0.70 0.00 -0.34 -5.99 8.25 0.76 -4.76 115.22 112.44 4rub n HIS 386 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 4rub n HIS 386 Cb 0.02 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.96 -0.35 0.29 -0.41 0.00 -0.71 -0.51 117.12 114.48 4rub n MET 387 Ca 0.01 1.32 0.14 0.00 0.00 0.00 0.00 57.70 59.17 4rub n MET 387 Cb 0.09 -1.94 0.89 0.00 0.00 0.00 0.00 33.22 32.26 4rub n MET 387 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 4rub h PRO 388 N 0.00 0.00 0.02 2.12 0.13 -1.86 0.14 132.00 132.55 4rub h PRO 388 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 4rub h PRO 388 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 4rub h PRO 388 CO -0.75 0.01 -0.01 0.00 -0.23 0.00 0.00 178.00 177.02 4rub h ALA 389 N 1.99 -0.02 0.13 -0.56 0.00 -1.09 -1.83 119.26 117.89 4rub h ALA 389 Ca -0.00 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.54 4rub h ALA 389 Cb 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 4rub h ALA 389 CO 0.00 -0.09 -0.32 -0.07 0.00 0.00 0.00 179.25 178.77 4rub h LEU 390 N -0.87 -0.93 -0.58 0.00 3.38 -1.10 0.78 115.31 115.98 4rub h LEU 390 Ca -0.00 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.19 4rub h LEU 390 Cb 0.78 0.35 -0.11 0.00 0.09 0.00 0.00 40.66 41.77 4rub h LEU 390 CO 0.00 -0.42 -0.12 0.74 0.09 0.00 0.00 178.44 178.73 4rub h THR 391 N -0.56 0.43 1.00 0.22 2.02 -0.84 0.66 112.91 115.84 4rub h THR 391 Ca 0.03 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 4rub h THR 391 Cb 0.58 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 4rub h THR 391 CO -0.18 0.00 -0.48 -0.08 0.37 0.00 0.00 175.52 175.15 4rub h GLU 392 N 0.02 -1.30 -0.37 6.66 4.22 0.16 0.28 114.58 124.25 4rub h GLU 392 Ca 0.28 0.09 0.01 0.00 0.08 0.00 0.00 59.36 59.82 4rub h GLU 392 Cb 0.44 0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 4rub h GLU 392 CO -0.59 -0.87 0.23 0.82 -2.18 0.00 0.00 179.01 176.43 4rub h ILE 393 N -1.35 1.06 0.00 2.32 2.04 0.90 -3.34 117.51 119.15 4rub h ILE 393 Ca -0.14 -0.16 -0.32 0.00 1.00 0.00 0.00 64.86 65.25 4rub h ILE 393 Cb 1.04 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 4rub h ILE 393 CO 0.22 0.09 -1.93 0.49 0.00 0.00 0.00 178.15 177.02 4rub n PHE 394 N -4.86 0.67 0.00 1.37 3.72 0.23 -5.02 117.46 113.57 4rub n PHE 394 Ca 0.00 0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 4rub n PHE 394 Cb 0.04 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 37.46 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 1.62 -0.97 0.35 1.37 0.00 0.09 -4.48 105.19 103.16 4rub n GLY 395 Ca -0.22 -1.66 0.02 0.00 0.00 0.00 0.00 46.02 44.17 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 0.83 -0.50 1.61 3.32 -1.88 -3.31 116.42 116.48 4rub h ASP 396 Ca 0.00 -0.01 -0.70 0.00 0.02 0.00 0.00 57.03 56.34 4rub h ASP 396 Cb 0.00 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.29 4rub h ASP 396 CO 0.00 0.57 2.65 0.47 -1.72 0.00 0.00 179.24 181.21 4rub n ASP 397 N -4.45 4.40 -3.49 6.45 8.00 -1.26 -2.62 116.55 123.59 4rub n ASP 397 Ca 0.10 -2.89 -0.11 0.00 0.71 0.00 0.00 54.79 52.60 4rub n ASP 397 Cb 0.10 -1.68 -0.02 0.00 -0.02 0.00 0.00 41.12 39.51 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 3.41 -0.49 -0.11 -2.24 1.04 -1.25 -4.46 113.70 109.59 4rub s SER 398 Ca 0.49 -0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.87 4rub s SER 398 Cb 0.09 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 4rub s SER 398 CO -0.02 -0.94 -0.17 -0.69 0.98 0.00 0.00 173.24 172.40 4rub s VAL 399 N -3.63 2.66 -0.17 5.02 1.01 -0.62 -0.35 120.40 124.32 4rub s VAL 399 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.21 4rub s VAL 399 Cb -0.01 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.29 4rub s VAL 399 CO -0.10 0.54 -0.17 -0.76 0.00 0.00 0.00 175.10 174.61 4rub s LEU 400 N 0.30 2.34 -0.16 3.92 1.43 0.52 -1.03 118.68 126.00 4rub s LEU 400 Ca -0.13 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 4rub s LEU 400 Cb -0.16 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 4rub s LEU 400 CO 0.07 0.04 -0.07 -1.10 0.23 0.00 0.00 176.35 175.52 4rub s GLN 401 N 1.06 3.52 -0.52 1.70 -0.21 0.80 0.03 119.66 126.02 4rub s GLN 401 Ca -0.01 -0.60 -0.03 0.00 0.02 0.00 0.00 55.36 54.74 4rub s GLN 401 Cb -0.14 -2.83 0.14 0.00 1.00 0.00 0.00 33.01 31.18 4rub s GLN 401 CO -0.05 0.15 0.33 -0.06 -2.12 0.00 0.00 175.29 173.54 4rub s PHE 402 N 0.55 3.49 0.00 0.91 0.08 2.32 -4.11 117.98 121.23 4rub s PHE 402 Ca -0.05 -2.57 0.00 0.00 0.12 0.00 0.00 56.93 54.43 4rub s PHE 402 Cb -0.15 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 39.09 4rub s PHE 402 CO 0.03 -0.90 0.00 0.41 -0.10 0.00 0.00 175.22 174.66 4rub n GLY 403 N 4.01 1.66 0.20 4.36 0.00 -1.26 -3.35 105.19 110.81 4rub n GLY 403 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 0.58 1.24 -0.02 0.00 -1.91 -1.54 103.07 101.42 4rub h GLY 404 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 4rub h GLY 404 CO 0.00 -0.10 0.02 0.61 0.00 0.00 0.00 176.54 177.07 4rub n GLY 405 N -1.30 -0.18 0.83 4.60 0.00 -1.26 0.14 105.19 108.03 4rub n GLY 405 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.14 0.60 0.64 2.61 -1.04 -0.69 -4.64 114.28 110.61 4rub n THR 406 Ca 0.00 0.22 0.06 0.00 -2.04 0.00 0.00 64.05 62.29 4rub n THR 406 Cb 0.02 -1.40 0.32 0.00 -1.82 0.00 0.00 70.33 67.46 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 -3.05 0.00 0.02 -4.42 4.32 -0.67 -2.60 117.00 110.60 4rub n LEU 407 Ca -0.01 0.19 0.11 0.00 -0.02 0.00 0.00 56.01 56.28 4rub n LEU 407 Cb 0.05 -0.19 0.09 0.00 -1.62 0.00 0.00 43.42 41.74 4rub n LEU 407 CO 0.02 -0.12 0.17 0.61 -1.22 0.00 0.00 177.39 176.85 4rub n GLY 408 N -0.25 -1.21 3.73 -0.72 0.00 0.37 -4.86 105.19 102.24 4rub n GLY 408 Ca 0.07 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.11 3.14 0.59 1.61 5.04 -1.07 -4.94 115.29 116.55 4rub s HIS 409 Ca 0.07 1.02 0.29 0.00 -1.54 0.00 0.00 55.06 54.90 4rub s HIS 409 Cb 0.15 -3.74 1.44 0.00 0.04 0.00 0.00 32.58 30.47 4rub s HIS 409 CO 0.77 -2.47 1.85 -1.00 -2.34 0.00 0.00 174.74 171.55 4rub h PRO 410 N 5.67 0.00 -0.44 2.88 0.13 -1.91 -0.61 132.00 137.72 4rub h PRO 410 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 4rub h PRO 410 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 4rub h PRO 410 CO 0.81 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.49 4rub n TRP 411 N -3.70 0.96 0.00 1.56 8.01 -1.26 -5.10 117.44 117.92 4rub n TRP 411 Ca 0.10 -0.64 0.00 0.00 -1.31 0.00 0.00 57.50 55.65 4rub n TRP 411 Cb 0.76 -0.18 0.00 0.00 -2.01 0.00 0.00 31.31 29.88 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 0.47 0.05 0.26 6.99 0.00 -0.24 -4.67 105.19 108.05 4rub n GLY 412 Ca 0.19 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.89 -0.94 1.61 4.21 -1.85 0.35 115.58 118.08 4rub h ASN 413 Ca 0.00 0.10 0.09 0.00 1.21 0.00 0.00 56.30 57.70 4rub h ASN 413 Cb 0.00 0.33 -0.12 0.00 -1.12 0.00 0.00 38.32 37.41 4rub h ASN 413 CO 0.00 -0.29 -0.57 0.00 -1.29 0.00 0.00 177.43 175.28 4rub h ALA 414 N -0.95 -0.52 -0.01 -0.83 0.00 -1.84 0.50 119.26 115.61 4rub h ALA 414 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.06 4rub h ALA 414 Cb 0.40 1.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 4rub h ALA 414 CO -0.18 -0.95 -0.18 -1.35 0.00 0.00 0.00 179.25 176.59 4rub h PRO 415 N -0.04 -0.28 -0.71 0.00 0.11 -1.82 -0.64 132.00 128.62 4rub h PRO 415 Ca 0.16 0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.48 4rub h PRO 415 Cb 0.44 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.58 4rub h PRO 415 CO -0.91 -0.18 0.50 0.78 -0.21 0.00 0.00 178.00 177.98 4rub h GLY 416 N -0.29 0.22 0.45 -0.55 0.00 0.14 0.14 103.07 103.18 4rub h GLY 416 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 4rub h GLY 416 CO -0.17 0.01 -0.21 0.00 0.00 0.00 0.00 176.54 176.16 4rub h ALA 417 N 1.66 -0.78 -0.88 3.60 0.00 0.75 -3.09 119.26 120.52 4rub h ALA 417 Ca 0.34 -0.13 0.23 0.00 0.00 0.00 0.00 54.91 55.35 4rub h ALA 417 Cb 1.19 0.23 -0.16 0.00 0.00 0.00 0.00 17.79 19.05 4rub h ALA 417 CO -0.04 -0.73 0.04 0.28 0.00 0.00 0.00 179.25 178.80 4rub h VAL 418 N -0.88 0.19 -0.23 0.00 2.07 -0.24 0.33 116.25 117.49 4rub h VAL 418 Ca -0.06 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.48 4rub h VAL 418 Cb 0.46 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 4rub h VAL 418 CO 0.10 0.01 -0.46 0.00 0.02 0.00 0.00 177.57 177.24 4rub h ALA 419 N 1.85 -0.63 -0.47 1.67 0.00 -0.82 -0.90 119.26 119.96 4rub h ALA 419 Ca 0.52 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 4rub h ALA 419 Cb 1.00 0.89 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 4rub h ALA 419 CO -0.79 -0.96 0.19 -0.91 0.00 0.00 0.00 179.25 176.79 4rub h ASN 420 N -0.46 0.65 -0.83 0.00 4.21 -0.74 0.12 115.58 118.53 4rub h ASN 420 Ca 0.08 -0.17 -0.01 0.00 1.21 0.00 0.00 56.30 57.42 4rub h ASN 420 Cb 0.63 -0.17 -0.04 0.00 -1.12 0.00 0.00 38.32 37.62 4rub h ASN 420 CO -0.47 0.64 0.50 -0.09 -1.29 0.00 0.00 177.43 176.72 4rub h ARG 421 N 0.62 1.12 -0.22 0.81 9.65 -0.27 -1.06 114.38 125.03 4rub h ARG 421 Ca 0.16 -0.10 -0.06 0.00 -1.10 0.00 0.00 59.98 58.87 4rub h ARG 421 Cb 0.19 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 4rub h ARG 421 CO -0.01 0.79 -0.11 0.28 2.80 0.00 0.00 179.97 183.72 4rub h VAL 422 N 1.13 1.30 -0.68 0.20 2.07 -0.79 0.13 116.25 119.62 4rub h VAL 422 Ca 0.30 -1.18 0.15 0.00 0.82 0.00 0.00 66.70 66.78 4rub h VAL 422 Cb -0.04 1.60 -0.11 0.00 -1.52 0.00 0.00 31.29 31.22 4rub h VAL 422 CO -0.06 0.36 0.02 0.00 0.02 0.00 0.00 177.57 177.91 4rub h ALA 423 N 0.71 0.70 0.18 1.67 0.00 -0.44 0.80 119.26 122.87 4rub h ALA 423 Ca 0.05 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 4rub h ALA 423 Cb 0.61 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.75 4rub h ALA 423 CO 0.03 -0.40 -0.09 1.25 0.00 0.00 0.00 179.25 180.05 4rub h LEU 424 N 0.13 -0.21 -0.98 0.00 5.85 -1.16 -0.73 115.31 118.22 4rub h LEU 424 Ca 0.36 -0.32 0.16 0.00 0.84 0.00 0.00 57.88 58.92 4rub h LEU 424 Cb 0.61 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 4rub h LEU 424 CO -0.57 0.27 0.59 -0.33 -0.34 0.00 0.00 178.44 178.06 4rub h GLU 425 N -0.75 0.80 0.08 1.25 5.08 0.04 1.05 114.58 122.13 4rub h GLU 425 Ca -0.02 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 4rub h GLU 425 Cb 0.51 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 4rub h GLU 425 CO 0.04 0.53 -0.46 0.00 -1.00 0.00 0.00 179.01 178.11 4rub h ALA 426 N 1.60 -0.93 -0.97 3.43 0.00 0.61 0.44 119.26 123.44 4rub h ALA 426 Ca 0.54 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.45 4rub h ALA 426 Cb 0.73 0.86 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 4rub h ALA 426 CO -0.34 -1.05 0.61 0.00 0.00 0.00 0.00 179.25 178.46 4rub h VAL 428 N 1.01 1.20 -0.29 0.00 2.07 0.27 -0.61 116.25 119.90 4rub h VAL 428 Ca 0.46 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 4rub h VAL 428 Cb 0.37 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 4rub h VAL 428 CO -0.23 0.22 -0.29 0.50 0.02 0.00 0.00 177.57 177.79 4rub h LYS 429 N 0.85 0.60 -0.18 1.57 3.64 0.85 -1.00 116.57 122.91 4rub h LYS 429 Ca 0.22 -0.25 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 4rub h LYS 429 Cb 0.04 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 4rub h LYS 429 CO -0.04 0.82 -0.05 0.00 -2.27 0.00 0.00 179.45 177.91 4rub h ALA 430 N 1.17 0.11 0.09 5.00 0.00 -0.92 0.57 119.26 125.28 4rub h ALA 430 Ca 0.07 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.07 4rub h ALA 430 Cb 0.76 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 4rub h ALA 430 CO 0.06 -0.49 -0.33 -0.09 0.00 0.00 0.00 179.25 178.40 4rub h ARG 431 N -0.01 -0.53 -1.00 0.00 2.43 -0.88 1.38 114.38 115.78 4rub h ARG 431 Ca 0.09 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 4rub h ARG 431 Cb 0.15 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 4rub h ARG 431 CO -0.19 -0.35 0.66 -0.91 -1.51 0.00 0.00 179.97 177.67 4rub h ASN 432 N -0.54 1.14 0.43 -3.80 2.35 -0.16 -0.21 115.58 114.79 4rub h ASN 432 Ca 0.04 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 4rub h ASN 432 Cb 0.59 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.68 4rub h ASN 432 CO -0.21 0.82 0.00 -0.62 -1.65 0.00 0.00 177.43 175.76 4rub n GLU 433 N -4.39 0.04 0.00 0.81 -0.58 0.19 -4.81 120.64 111.89 4rub n GLU 433 Ca 0.12 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 4rub n GLU 433 Cb 0.03 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 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 -0.09 1.06 3.54 0.62 0.00 -0.09 -5.09 105.19 105.14 4rub n GLY 434 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.78 -1.29 -0.45 1.61 0.52 0.47 -4.97 118.95 114.06 4rub s ARG 435 Ca 0.00 0.13 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 4rub s ARG 435 Cb 0.00 -1.57 0.12 0.00 0.52 0.00 0.00 34.95 34.02 4rub s ARG 435 CO 0.00 -3.80 0.21 0.34 0.02 0.00 0.00 175.30 172.07 4rub s ASP 436 N -3.56 4.81 0.37 0.23 -1.08 -1.26 -4.59 116.67 111.59 4rub s ASP 436 Ca 0.69 -2.50 0.18 0.00 -0.52 0.00 0.00 52.55 50.40 4rub s ASP 436 Cb -0.13 -1.71 1.15 0.00 -1.46 0.00 0.00 42.92 40.77 4rub s ASP 436 CO 0.57 -0.37 1.68 -0.07 0.52 0.00 0.00 175.17 177.50 4rub h LEU 437 N 7.27 0.46 0.53 -1.34 -0.00 -1.91 0.22 115.31 120.54 4rub h LEU 437 Ca -0.07 0.16 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 4rub h LEU 437 Cb 0.98 0.11 0.01 0.00 -0.00 0.00 0.00 40.66 41.75 4rub h LEU 437 CO 0.64 -0.09 -0.26 0.00 -0.00 0.00 0.00 178.44 178.73 4rub h ALA 438 N 1.76 -0.73 0.09 1.53 0.00 -1.93 -2.29 119.26 117.68 4rub h ALA 438 Ca 0.72 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 4rub h ALA 438 Cb 1.80 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.87 4rub h ALA 438 CO -0.51 -0.68 -0.04 1.96 0.00 0.00 0.00 179.25 179.98 4rub h GLN 439 N -1.16 -0.11 0.00 0.00 4.20 -1.77 -3.33 115.11 112.94 4rub h GLN 439 Ca -0.07 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.64 4rub h GLN 439 Cb 0.55 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.35 4rub h GLN 439 CO 0.12 -0.08 0.00 0.39 -0.67 0.00 0.00 178.83 178.59 4rub n GLU 440 N -2.52 0.02 0.00 1.46 1.02 0.68 -4.43 120.64 116.87 4rub n GLU 440 Ca -0.01 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 4rub n GLU 440 Cb 0.05 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 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 -1.10 -0.68 0.56 0.62 0.00 -0.86 -1.94 105.19 101.79 4rub n GLY 441 Ca 0.01 0.15 0.42 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.28 0.00 -0.03 1.61 2.85 -1.26 -0.37 115.26 117.78 4rub n ASN 442 Ca 0.00 0.78 -0.16 0.00 -0.11 0.00 0.00 54.58 55.10 4rub n ASN 442 Cb 0.00 -0.38 -0.13 0.00 1.24 0.00 0.00 39.78 40.50 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 0.11 -0.91 1.20 4.57 -1.73 -2.94 114.58 114.88 4rub h GLU 443 Ca 0.73 -0.16 0.11 0.00 -1.18 0.00 0.00 59.36 58.86 4rub h GLU 443 Cb 2.99 0.06 -0.13 0.00 -0.16 0.00 0.00 28.75 31.51 4rub h GLU 443 CO -0.01 1.04 -0.50 0.82 -1.18 0.00 0.00 179.01 179.18 4rub h ILE 444 N -0.74 0.01 -0.19 2.32 2.04 -0.59 1.71 117.51 122.07 4rub h ILE 444 Ca -0.04 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.61 4rub h ILE 444 Cb 1.15 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 4rub h ILE 444 CO 0.05 0.00 -0.70 0.16 0.00 0.00 0.00 178.15 177.66 4rub h ILE 445 N -0.05 1.28 -1.03 -0.67 -0.00 -1.70 -2.30 117.51 113.04 4rub h ILE 445 Ca 0.22 -1.91 0.26 0.00 -0.00 0.00 0.00 64.86 63.43 4rub h ILE 445 Cb 0.50 1.88 -0.11 0.00 -0.00 0.00 0.00 36.82 39.09 4rub h ILE 445 CO -0.90 0.61 0.63 -0.09 -0.00 0.00 0.00 178.15 178.39 4rub h ARG 446 N 0.56 0.48 -0.10 0.16 2.43 -0.38 0.56 114.38 118.09 4rub h ARG 446 Ca -0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 4rub h ARG 446 Cb 1.32 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 4rub h ARG 446 CO 0.15 0.32 0.00 0.93 -1.51 0.00 0.00 179.97 179.86 4rub h GLU 447 N 0.50 0.17 -0.00 0.20 5.08 0.25 -3.16 114.58 117.61 4rub h GLU 447 Ca 0.63 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.80 4rub h GLU 447 Cb 1.37 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 4rub h GLU 447 CO -0.40 0.42 -0.65 0.00 -1.00 0.00 0.00 179.01 177.38 4rub h ALA 448 N 0.75 0.92 -0.65 3.43 0.00 -0.59 -2.83 119.26 120.28 4rub h ALA 448 Ca 0.03 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.40 4rub h ALA 448 Cb 0.34 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 4rub h ALA 448 CO 0.00 0.80 0.37 0.00 0.00 0.00 0.00 179.25 180.43 4rub h LYS 450 N 0.70 0.06 0.00 0.00 1.57 -1.47 -2.84 116.57 114.59 4rub h LYS 450 Ca 0.29 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 4rub h LYS 450 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.44 4rub h LYS 450 CO -0.16 0.04 -0.18 -2.67 -0.57 0.00 0.00 179.45 175.91 4rub n TRP 451 N -5.22 0.34 -3.96 -1.35 4.27 -0.82 -4.75 117.44 105.94 4rub n TRP 451 Ca 0.01 0.10 -0.34 0.00 -3.89 0.00 0.00 57.50 53.38 4rub n TRP 451 Cb 0.19 -0.60 -0.14 0.00 -1.36 0.00 0.00 31.31 29.40 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 -3.60 4.40 0.19 -0.67 0.15 -0.56 -4.99 113.70 108.61 4rub s SER 452 Ca 0.11 -0.99 -0.12 0.00 0.70 0.00 0.00 55.95 55.65 4rub s SER 452 Cb 0.16 -1.66 0.17 0.00 -1.71 0.00 0.00 66.02 62.99 4rub s SER 452 CO 0.61 -0.15 1.77 -0.65 1.20 0.00 0.00 173.24 176.02 4rub h PRO 453 N 7.99 0.46 -0.05 5.44 0.11 -1.86 1.03 132.00 145.12 4rub h PRO 453 Ca -0.30 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 4rub h PRO 453 Cb 1.09 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 4rub h PRO 453 CO 0.56 0.30 -0.08 0.93 -0.21 0.00 0.00 178.00 179.50 4rub h GLU 454 N 0.47 0.14 -0.79 1.05 3.07 -1.92 -1.74 114.58 114.85 4rub h GLU 454 Ca 0.24 -0.08 0.13 0.00 -0.50 0.00 0.00 59.36 59.15 4rub h GLU 454 Cb 0.20 0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 28.03 4rub h GLU 454 CO -0.20 0.64 0.38 1.25 -1.40 0.00 0.00 179.01 179.69 4rub h LEU 455 N -0.36 0.45 0.27 1.33 5.85 -1.64 -2.60 115.31 118.62 4rub h LEU 455 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 4rub h LEU 455 Cb 0.63 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 4rub h LEU 455 CO 0.02 0.21 -0.50 0.00 -0.34 0.00 0.00 178.44 177.82 4rub h ALA 456 N 1.52 -1.05 -1.01 1.25 0.00 0.12 -1.10 119.26 118.99 4rub h ALA 456 Ca 0.42 -0.14 0.39 0.00 0.00 0.00 0.00 54.91 55.58 4rub h ALA 456 Cb 0.56 0.82 -0.17 0.00 0.00 0.00 0.00 17.79 19.00 4rub h ALA 456 CO -0.35 -1.14 0.55 0.00 0.00 0.00 0.00 179.25 178.32 4rub h ALA 457 N -0.73 2.12 0.50 0.00 0.00 -0.94 0.07 119.26 120.28 4rub h ALA 457 Ca -0.03 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 4rub h ALA 457 Cb 0.78 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.86 4rub h ALA 457 CO -0.19 -0.86 -0.24 0.00 0.00 0.00 0.00 179.25 177.96 4rub h ALA 458 N 1.95 -0.94 -1.00 0.00 0.00 -1.14 -2.98 119.26 115.16 4rub h ALA 458 Ca 0.82 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.79 4rub h ALA 458 Cb 2.10 0.26 -0.19 0.00 0.00 0.00 0.00 17.79 19.96 4rub h ALA 458 CO -0.72 -0.89 -0.21 0.00 0.00 0.00 0.00 179.25 177.43 4rub h GLU 460 N 0.00 0.56 -0.06 0.00 4.39 -1.23 0.16 114.58 118.40 4rub h GLU 460 Ca 0.50 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 4rub h GLU 460 Cb 0.80 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 4rub h GLU 460 CO -1.02 0.37 0.03 0.28 -1.16 0.00 0.00 179.01 177.52 4rub h VAL 461 N 0.58 1.08 -0.55 3.13 2.07 -0.62 -3.27 116.25 118.67 4rub h VAL 461 Ca 0.22 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.52 4rub h VAL 461 Cb 0.07 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 4rub h VAL 461 CO -0.12 0.07 0.00 0.79 0.02 0.00 0.00 177.57 178.32 4rub n TRP 462 N -5.00 1.05 -0.10 1.57 8.01 -0.56 -4.74 117.44 117.67 4rub n TRP 462 Ca -0.06 -0.59 -0.10 0.00 -1.31 0.00 0.00 57.50 55.44 4rub n TRP 462 Cb 0.07 -0.14 -0.07 0.00 -2.01 0.00 0.00 31.31 29.15 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 3.34 -0.28 0.00 -0.99 3.64 -1.01 -2.34 116.57 118.92 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 1.17 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 4rub h LYS 463 CO 0.12 -0.19 0.00 0.39 -2.27 0.00 0.00 179.45 177.50 4rub n GLU 464 N -4.64 0.53 -3.32 1.90 -0.58 -1.26 -4.88 120.64 108.40 4rub n GLU 464 Ca -0.03 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.33 4rub n GLU 464 Cb 0.25 -1.27 -0.06 0.00 -0.57 0.00 0.00 31.44 29.78 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 -2.00 5.12 0.12 -3.67 -1.09 -0.88 -5.07 121.20 113.72 4rub s ILE 465 Ca 0.14 0.99 -0.09 0.00 -2.23 0.00 0.00 60.65 59.47 4rub s ILE 465 Cb 0.06 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 4rub s ILE 465 CO 0.11 0.38 0.23 0.68 -1.23 0.00 0.00 174.94 175.10 4rub s VAL 466 N 0.24 0.11 -0.49 2.92 -7.23 -1.26 -5.06 120.40 109.62 4rub s VAL 466 Ca 0.27 -1.29 0.08 0.00 -1.81 0.00 0.00 61.98 59.22 4rub s VAL 466 Cb -0.16 -1.57 0.36 0.00 0.56 0.00 0.00 36.38 35.57 4rub s VAL 466 CO 0.12 -0.49 0.92 0.49 -0.31 0.00 0.00 175.10 175.82 4rub n PHE 467 N -0.13 2.78 -2.95 2.82 3.01 -1.26 -5.04 117.46 116.70 4rub n PHE 467 Ca -0.11 -3.73 -0.41 0.00 1.01 0.00 0.00 57.45 54.21 4rub n PHE 467 Cb 0.63 -0.40 -0.04 0.00 -0.01 0.00 0.00 39.48 39.65 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 -3.20 7.04 -0.28 4.37 2.47 -1.26 -4.86 114.94 119.22 4rub s ASN 468 Ca 0.45 1.26 -0.20 0.00 0.42 0.00 0.00 52.86 54.79 4rub s ASN 468 Cb 0.33 -2.45 0.08 0.00 -1.45 0.00 0.00 41.25 37.76 4rub s ASN 468 CO -0.12 -0.22 0.73 -0.36 -3.72 0.00 0.00 177.10 173.41 4rub s PHE 469 N 1.21 -0.90 -0.30 0.43 0.40 -1.26 -5.13 117.98 112.43 4rub s PHE 469 Ca 0.40 1.96 -0.28 0.00 -0.60 0.00 0.00 56.93 58.41 4rub s PHE 469 Cb -0.18 0.45 -0.06 0.00 0.51 0.00 0.00 43.02 43.74 4rub s PHE 469 CO 0.18 -0.44 2.28 0.00 0.70 0.00 0.00 175.22 177.94 4rub n ALA 470 N 3.47 1.50 -1.24 5.36 0.00 -1.26 -4.95 120.51 123.40 4rub n ALA 470 Ca -0.17 -0.42 -0.35 0.00 0.00 0.00 0.00 53.44 52.50 4rub n ALA 470 Cb 0.57 -2.98 0.10 0.00 0.00 0.00 0.00 19.45 17.14 4rub n ALA 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4rub n ALA 471 N 12.73 -0.43 -2.00 0.00 0.00 -1.26 -5.08 120.51 124.47 4rub n ALA 471 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.50 4rub n ALA 471 Cb 0.46 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 -2.80 0.00 0.00 0.00 0.31 -1.26 -5.15 118.33 109.43 4rub n VAL 472 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 4rub n VAL 472 Cb 0.50 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 4rub n VAL 472 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98